----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:07:34]------------------------- Compiled with OpenMP support (max 48 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: [3 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.569662330000000 2.297944730000000 4.708829635000000 b 1.569662330000000 -2.297944730000000 4.708829635000000 c 1.569662330000000 2.297944730000000 -4.708829635000000 Atomic positions (fractional): *1 O 0.86113687724494 0.36113687724494 0.50000000000000 15.999 2 O 0.13886312275506 0.63886312275506 0.50000000000000 15.999 *3 Na 0.67468301505567 0.67468301505567 0.00000000000000 22.990 4 Na 0.32531698494433 0.32531698494433 0.00000000000000 22.990 *5 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.139324660000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.595889460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.417659270000000 Atomic positions (fractional): *1 O 0.00000000000000 0.50000000000000 0.36113687724494 15.999 > 1 2 O 0.50000000000000 0.00000000000000 0.13886312275506 15.999 > 2 3 O 0.50000000000000 0.00000000000000 0.86113687724494 15.999 > 1 4 O 0.00000000000000 0.50000000000000 0.63886312275506 15.999 > 2 *5 Na 0.50000000000000 0.50000000000000 0.17468301505567 22.990 > 3 6 Na 0.00000000000000 0.00000000000000 0.32531698494433 22.990 > 4 7 Na 0.00000000000000 0.00000000000000 0.67468301505567 22.990 > 3 8 Na 0.50000000000000 0.50000000000000 0.82531698494433 22.990 > 4 *9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 5 10 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 5 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.417973980000003 0.000000000000000 0.000000000000000 b 0.000000000000000 13.787668380000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.417659270000000 Atomic positions (fractional): *1 O 0.00000000000000 0.16666666666667 0.36113687724494 15.999 > 1 2 O 0.33333333333333 0.16666666666667 0.36113687724494 15.999 > 1 3 O 0.66666666666667 0.16666666666667 0.36113687724494 15.999 > 1 4 O 0.00000000000000 0.50000000000000 0.36113687724494 15.999 > 1 5 O 0.33333333333333 0.50000000000000 0.36113687724494 15.999 > 1 6 O 0.66666666666667 0.50000000000000 0.36113687724494 15.999 > 1 7 O 0.00000000000000 0.83333333333333 0.36113687724494 15.999 > 1 8 O 0.33333333333333 0.83333333333333 0.36113687724494 15.999 > 1 9 O 0.66666666666667 0.83333333333333 0.36113687724494 15.999 > 1 10 O 0.16666666666667 0.00000000000000 0.13886312275506 15.999 > 2 11 O 0.50000000000000 0.00000000000000 0.13886312275506 15.999 > 2 12 O 0.83333333333333 0.00000000000000 0.13886312275506 15.999 > 2 13 O 0.16666666666667 0.33333333333333 0.13886312275506 15.999 > 2 14 O 0.50000000000000 0.33333333333333 0.13886312275506 15.999 > 2 15 O 0.83333333333333 0.33333333333333 0.13886312275506 15.999 > 2 16 O 0.16666666666667 0.66666666666667 0.13886312275506 15.999 > 2 17 O 0.50000000000000 0.66666666666667 0.13886312275506 15.999 > 2 18 O 0.83333333333333 0.66666666666667 0.13886312275506 15.999 > 2 19 O 0.16666666666667 0.00000000000000 0.86113687724494 15.999 > 1 20 O 0.50000000000000 0.00000000000000 0.86113687724494 15.999 > 1 21 O 0.83333333333333 0.00000000000000 0.86113687724494 15.999 > 1 22 O 0.16666666666667 0.33333333333333 0.86113687724494 15.999 > 1 23 O 0.50000000000000 0.33333333333333 0.86113687724494 15.999 > 1 24 O 0.83333333333333 0.33333333333333 0.86113687724494 15.999 > 1 25 O 0.16666666666667 0.66666666666667 0.86113687724494 15.999 > 1 26 O 0.50000000000000 0.66666666666667 0.86113687724494 15.999 > 1 27 O 0.83333333333333 0.66666666666667 0.86113687724494 15.999 > 1 28 O 0.00000000000000 0.16666666666667 0.63886312275506 15.999 > 2 29 O 0.33333333333333 0.16666666666667 0.63886312275506 15.999 > 2 30 O 0.66666666666667 0.16666666666667 0.63886312275506 15.999 > 2 31 O 0.00000000000000 0.50000000000000 0.63886312275506 15.999 > 2 32 O 0.33333333333333 0.50000000000000 0.63886312275506 15.999 > 2 33 O 0.66666666666667 0.50000000000000 0.63886312275506 15.999 > 2 34 O 0.00000000000000 0.83333333333333 0.63886312275506 15.999 > 2 35 O 0.33333333333333 0.83333333333333 0.63886312275506 15.999 > 2 36 O 0.66666666666667 0.83333333333333 0.63886312275506 15.999 > 2 *37 Na 0.16666666666667 0.16666666666667 0.17468301505567 22.990 > 3 38 Na 0.50000000000000 0.16666666666667 0.17468301505567 22.990 > 3 39 Na 0.83333333333333 0.16666666666667 0.17468301505567 22.990 > 3 40 Na 0.16666666666667 0.50000000000000 0.17468301505567 22.990 > 3 41 Na 0.50000000000000 0.50000000000000 0.17468301505567 22.990 > 3 42 Na 0.83333333333333 0.50000000000000 0.17468301505567 22.990 > 3 43 Na 0.16666666666667 0.83333333333333 0.17468301505567 22.990 > 3 44 Na 0.50000000000000 0.83333333333333 0.17468301505567 22.990 > 3 45 Na 0.83333333333333 0.83333333333333 0.17468301505567 22.990 > 3 46 Na 0.00000000000000 0.00000000000000 0.32531698494433 22.990 > 4 47 Na 0.33333333333333 0.00000000000000 0.32531698494433 22.990 > 4 48 Na 0.66666666666667 0.00000000000000 0.32531698494433 22.990 > 4 49 Na 0.00000000000000 0.33333333333333 0.32531698494433 22.990 > 4 50 Na 0.33333333333333 0.33333333333333 0.32531698494433 22.990 > 4 51 Na 0.66666666666667 0.33333333333333 0.32531698494433 22.990 > 4 52 Na 0.00000000000000 0.66666666666667 0.32531698494433 22.990 > 4 53 Na 0.33333333333333 0.66666666666667 0.32531698494433 22.990 > 4 54 Na 0.66666666666667 0.66666666666667 0.32531698494433 22.990 > 4 55 Na 0.00000000000000 0.00000000000000 0.67468301505567 22.990 > 3 56 Na 0.33333333333333 0.00000000000000 0.67468301505567 22.990 > 3 57 Na 0.66666666666667 0.00000000000000 0.67468301505567 22.990 > 3 58 Na 0.00000000000000 0.33333333333333 0.67468301505567 22.990 > 3 59 Na 0.33333333333333 0.33333333333333 0.67468301505567 22.990 > 3 60 Na 0.66666666666667 0.33333333333333 0.67468301505567 22.990 > 3 61 Na 0.00000000000000 0.66666666666667 0.67468301505567 22.990 > 3 62 Na 0.33333333333333 0.66666666666667 0.67468301505567 22.990 > 3 63 Na 0.66666666666667 0.66666666666667 0.67468301505567 22.990 > 3 64 Na 0.16666666666667 0.16666666666667 0.82531698494433 22.990 > 4 65 Na 0.50000000000000 0.16666666666667 0.82531698494433 22.990 > 4 66 Na 0.83333333333333 0.16666666666667 0.82531698494433 22.990 > 4 67 Na 0.16666666666667 0.50000000000000 0.82531698494433 22.990 > 4 68 Na 0.50000000000000 0.50000000000000 0.82531698494433 22.990 > 4 69 Na 0.83333333333333 0.50000000000000 0.82531698494433 22.990 > 4 70 Na 0.16666666666667 0.83333333333333 0.82531698494433 22.990 > 4 71 Na 0.50000000000000 0.83333333333333 0.82531698494433 22.990 > 4 72 Na 0.83333333333333 0.83333333333333 0.82531698494433 22.990 > 4 *73 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 5 74 Pt 0.33333333333333 0.00000000000000 0.00000000000000 195.084 > 5 75 Pt 0.66666666666667 0.00000000000000 0.00000000000000 195.084 > 5 76 Pt 0.00000000000000 0.33333333333333 0.00000000000000 195.084 > 5 77 Pt 0.33333333333333 0.33333333333333 0.00000000000000 195.084 > 5 78 Pt 0.66666666666667 0.33333333333333 0.00000000000000 195.084 > 5 79 Pt 0.00000000000000 0.66666666666667 0.00000000000000 195.084 > 5 80 Pt 0.33333333333333 0.66666666666667 0.00000000000000 195.084 > 5 81 Pt 0.66666666666667 0.66666666666667 0.00000000000000 195.084 > 5 82 Pt 0.16666666666667 0.16666666666667 0.50000000000000 195.084 > 5 83 Pt 0.50000000000000 0.16666666666667 0.50000000000000 195.084 > 5 84 Pt 0.83333333333333 0.16666666666667 0.50000000000000 195.084 > 5 85 Pt 0.16666666666667 0.50000000000000 0.50000000000000 195.084 > 5 86 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 5 87 Pt 0.83333333333333 0.50000000000000 0.50000000000000 195.084 > 5 88 Pt 0.16666666666667 0.83333333333333 0.50000000000000 195.084 > 5 89 Pt 0.50000000000000 0.83333333333333 0.50000000000000 195.084 > 5 90 Pt 0.83333333333333 0.83333333333333 0.50000000000000 195.084 > 5 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7904089 0.0000000 0.0000000 0.0000000 3.9421653 0.0000000 0.0000000 0.0000000 3.7923387 -------------------------- Born effective charges -------------------------- 1 O -2.8775022 0.0000000 0.0000000 0.0000000 -0.3750735 0.0000000 0.0000000 0.0000000 -1.6896369 2 O -2.8775022 0.0000000 0.0000000 0.0000000 -0.3750735 0.0000000 0.0000000 0.0000000 -1.6896369 3 Na 1.0210658 0.0000000 0.0000000 0.0000000 1.1852482 0.0000000 0.0000000 0.0000000 1.2688157 4 Na 1.0210658 0.0000000 0.0000000 0.0000000 1.1852482 0.0000000 0.0000000 0.0000000 1.2688157 5 Pt 3.7128728 0.0000000 0.0000000 0.0000000 -1.6203494 0.0000000 0.0000000 0.0000000 0.8416424 ---------------------------------------------------------------------------- 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: 270/270 Permutation basis: 2562/2562 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 338 Number of blocks in projector: 340 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 48 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 48 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 24 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (338, 329), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (24, 24), data: True |-- (48, 48), data: True |-- (48, 48), data: True |-- (72, 69), data: True |-- (72, 69), data: True |-- (72, 69), data: True ----- Solver_atoms: 1 -- 90 / 90 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 80 / 80 - Time: 0.118 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.124 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 270/270 Permutation basis: 2562/2562 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 338 Number of blocks in projector: 340 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 48 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 48 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 24 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (338, 329), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (24, 24), data: True |-- (48, 48), data: True |-- (48, 48), data: True |-- (72, 69), data: True |-- (72, 69), data: True |-- (72, 69), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:07:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:07:36]------------------------- Compiled with OpenMP support (max 48 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): [3 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.569662330000000 2.297944730000000 4.708829635000000 b 1.569662330000000 -2.297944730000000 4.708829635000000 c 1.569662330000000 2.297944730000000 -4.708829635000000 Atomic positions (fractional): 1 O 0.86113687724494 0.36113687724494 0.50000000000000 15.999 2 O 0.13886312275506 0.63886312275506 0.50000000000000 15.999 3 Na 0.67468301505567 0.67468301505567 0.00000000000000 22.990 4 Na 0.32531698494433 0.32531698494433 0.00000000000000 22.990 5 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.417973980000003 0.000000000000000 0.000000000000000 b 0.000000000000000 13.787668380000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.417659270000000 Atomic positions (fractional): 1 O 0.00000000000000 0.16666666666667 0.36113687724494 15.999 > 1 2 O 0.33333333333333 0.16666666666667 0.36113687724494 15.999 > 1 3 O 0.66666666666667 0.16666666666667 0.36113687724494 15.999 > 1 4 O 0.00000000000000 0.50000000000000 0.36113687724494 15.999 > 1 5 O 0.33333333333333 0.50000000000000 0.36113687724494 15.999 > 1 6 O 0.66666666666667 0.50000000000000 0.36113687724494 15.999 > 1 7 O 0.00000000000000 0.83333333333333 0.36113687724494 15.999 > 1 8 O 0.33333333333333 0.83333333333333 0.36113687724494 15.999 > 1 9 O 0.66666666666667 0.83333333333333 0.36113687724494 15.999 > 1 10 O 0.16666666666667 0.00000000000000 0.13886312275506 15.999 > 10 11 O 0.50000000000000 0.00000000000000 0.13886312275506 15.999 > 10 12 O 0.83333333333333 0.00000000000000 0.13886312275506 15.999 > 10 13 O 0.16666666666667 0.33333333333333 0.13886312275506 15.999 > 10 14 O 0.50000000000000 0.33333333333333 0.13886312275506 15.999 > 10 15 O 0.83333333333333 0.33333333333333 0.13886312275506 15.999 > 10 16 O 0.16666666666667 0.66666666666667 0.13886312275506 15.999 > 10 17 O 0.50000000000000 0.66666666666667 0.13886312275506 15.999 > 10 18 O 0.83333333333333 0.66666666666667 0.13886312275506 15.999 > 10 19 O 0.16666666666667 0.00000000000000 0.86113687724494 15.999 > 1 20 O 0.50000000000000 0.00000000000000 0.86113687724494 15.999 > 1 21 O 0.83333333333333 0.00000000000000 0.86113687724494 15.999 > 1 22 O 0.16666666666667 0.33333333333333 0.86113687724494 15.999 > 1 23 O 0.50000000000000 0.33333333333333 0.86113687724494 15.999 > 1 24 O 0.83333333333333 0.33333333333333 0.86113687724494 15.999 > 1 25 O 0.16666666666667 0.66666666666667 0.86113687724494 15.999 > 1 26 O 0.50000000000000 0.66666666666667 0.86113687724494 15.999 > 1 27 O 0.83333333333333 0.66666666666667 0.86113687724494 15.999 > 1 28 O 0.00000000000000 0.16666666666667 0.63886312275506 15.999 > 10 29 O 0.33333333333333 0.16666666666667 0.63886312275506 15.999 > 10 30 O 0.66666666666667 0.16666666666667 0.63886312275506 15.999 > 10 31 O 0.00000000000000 0.50000000000000 0.63886312275506 15.999 > 10 32 O 0.33333333333333 0.50000000000000 0.63886312275506 15.999 > 10 33 O 0.66666666666667 0.50000000000000 0.63886312275506 15.999 > 10 34 O 0.00000000000000 0.83333333333333 0.63886312275506 15.999 > 10 35 O 0.33333333333333 0.83333333333333 0.63886312275506 15.999 > 10 36 O 0.66666666666667 0.83333333333333 0.63886312275506 15.999 > 10 37 Na 0.16666666666667 0.16666666666667 0.17468301505567 22.990 > 37 38 Na 0.50000000000000 0.16666666666667 0.17468301505567 22.990 > 37 39 Na 0.83333333333333 0.16666666666667 0.17468301505567 22.990 > 37 40 Na 0.16666666666667 0.50000000000000 0.17468301505567 22.990 > 37 41 Na 0.50000000000000 0.50000000000000 0.17468301505567 22.990 > 37 42 Na 0.83333333333333 0.50000000000000 0.17468301505567 22.990 > 37 43 Na 0.16666666666667 0.83333333333333 0.17468301505567 22.990 > 37 44 Na 0.50000000000000 0.83333333333333 0.17468301505567 22.990 > 37 45 Na 0.83333333333333 0.83333333333333 0.17468301505567 22.990 > 37 46 Na 0.00000000000000 0.00000000000000 0.32531698494433 22.990 > 46 47 Na 0.33333333333333 0.00000000000000 0.32531698494433 22.990 > 46 48 Na 0.66666666666667 0.00000000000000 0.32531698494433 22.990 > 46 49 Na 0.00000000000000 0.33333333333333 0.32531698494433 22.990 > 46 50 Na 0.33333333333333 0.33333333333333 0.32531698494433 22.990 > 46 51 Na 0.66666666666667 0.33333333333333 0.32531698494433 22.990 > 46 52 Na 0.00000000000000 0.66666666666667 0.32531698494433 22.990 > 46 53 Na 0.33333333333333 0.66666666666667 0.32531698494433 22.990 > 46 54 Na 0.66666666666667 0.66666666666667 0.32531698494433 22.990 > 46 55 Na 0.00000000000000 0.00000000000000 0.67468301505567 22.990 > 37 56 Na 0.33333333333333 0.00000000000000 0.67468301505567 22.990 > 37 57 Na 0.66666666666667 0.00000000000000 0.67468301505567 22.990 > 37 58 Na 0.00000000000000 0.33333333333333 0.67468301505567 22.990 > 37 59 Na 0.33333333333333 0.33333333333333 0.67468301505567 22.990 > 37 60 Na 0.66666666666667 0.33333333333333 0.67468301505567 22.990 > 37 61 Na 0.00000000000000 0.66666666666667 0.67468301505567 22.990 > 37 62 Na 0.33333333333333 0.66666666666667 0.67468301505567 22.990 > 37 63 Na 0.66666666666667 0.66666666666667 0.67468301505567 22.990 > 37 64 Na 0.16666666666667 0.16666666666667 0.82531698494433 22.990 > 46 65 Na 0.50000000000000 0.16666666666667 0.82531698494433 22.990 > 46 66 Na 0.83333333333333 0.16666666666667 0.82531698494433 22.990 > 46 67 Na 0.16666666666667 0.50000000000000 0.82531698494433 22.990 > 46 68 Na 0.50000000000000 0.50000000000000 0.82531698494433 22.990 > 46 69 Na 0.83333333333333 0.50000000000000 0.82531698494433 22.990 > 46 70 Na 0.16666666666667 0.83333333333333 0.82531698494433 22.990 > 46 71 Na 0.50000000000000 0.83333333333333 0.82531698494433 22.990 > 46 72 Na 0.83333333333333 0.83333333333333 0.82531698494433 22.990 > 46 73 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 73 74 Pt 0.33333333333333 0.00000000000000 0.00000000000000 195.084 > 73 75 Pt 0.66666666666667 0.00000000000000 0.00000000000000 195.084 > 73 76 Pt 0.00000000000000 0.33333333333333 0.00000000000000 195.084 > 73 77 Pt 0.33333333333333 0.33333333333333 0.00000000000000 195.084 > 73 78 Pt 0.66666666666667 0.33333333333333 0.00000000000000 195.084 > 73 79 Pt 0.00000000000000 0.66666666666667 0.00000000000000 195.084 > 73 80 Pt 0.33333333333333 0.66666666666667 0.00000000000000 195.084 > 73 81 Pt 0.66666666666667 0.66666666666667 0.00000000000000 195.084 > 73 82 Pt 0.16666666666667 0.16666666666667 0.50000000000000 195.084 > 73 83 Pt 0.50000000000000 0.16666666666667 0.50000000000000 195.084 > 73 84 Pt 0.83333333333333 0.16666666666667 0.50000000000000 195.084 > 73 85 Pt 0.16666666666667 0.50000000000000 0.50000000000000 195.084 > 73 86 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 73 87 Pt 0.83333333333333 0.50000000000000 0.50000000000000 195.084 > 73 88 Pt 0.16666666666667 0.83333333333333 0.50000000000000 195.084 > 73 89 Pt 0.50000000000000 0.83333333333333 0.50000000000000 195.084 > 73 90 Pt 0.83333333333333 0.83333333333333 0.50000000000000 195.084 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7904089 0.0000000 0.0000000 0.0000000 3.9421653 0.0000000 0.0000000 0.0000000 3.7923387 -------------------------- Born effective charges -------------------------- 1 O -2.8775022 0.0000000 0.0000000 0.0000000 -0.3750735 0.0000000 0.0000000 0.0000000 -1.6896369 2 O -2.8775022 0.0000000 0.0000000 0.0000000 -0.3750735 0.0000000 0.0000000 0.0000000 -1.6896369 3 Na 1.0210658 0.0000000 0.0000000 0.0000000 1.1852482 0.0000000 0.0000000 0.0000000 1.2688157 4 Na 1.0210658 0.0000000 0.0000000 0.0000000 1.1852482 0.0000000 0.0000000 0.0000000 1.2688157 5 Pt 3.7128728 0.0000000 0.0000000 0.0000000 -1.6203494 0.0000000 0.0000000 0.0000000 0.8416424 ---------------------------------------------------------------------------- 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[ 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:07:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:07:40]------------------------- Compiled with OpenMP support (max 48 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): [3 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.569662330000000 2.297944730000000 4.708829635000000 b 1.569662330000000 -2.297944730000000 4.708829635000000 c 1.569662330000000 2.297944730000000 -4.708829635000000 Atomic positions (fractional): 1 O 0.86113687724494 0.36113687724494 0.50000000000000 15.999 2 O 0.13886312275506 0.63886312275506 0.50000000000000 15.999 3 Na 0.67468301505567 0.67468301505567 0.00000000000000 22.990 4 Na 0.32531698494433 0.32531698494433 0.00000000000000 22.990 5 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.417973980000003 0.000000000000000 0.000000000000000 b 0.000000000000000 13.787668380000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.417659270000000 Atomic positions (fractional): 1 O 0.00000000000000 0.16666666666667 0.36113687724494 15.999 > 1 2 O 0.33333333333333 0.16666666666667 0.36113687724494 15.999 > 1 3 O 0.66666666666667 0.16666666666667 0.36113687724494 15.999 > 1 4 O 0.00000000000000 0.50000000000000 0.36113687724494 15.999 > 1 5 O 0.33333333333333 0.50000000000000 0.36113687724494 15.999 > 1 6 O 0.66666666666667 0.50000000000000 0.36113687724494 15.999 > 1 7 O 0.00000000000000 0.83333333333333 0.36113687724494 15.999 > 1 8 O 0.33333333333333 0.83333333333333 0.36113687724494 15.999 > 1 9 O 0.66666666666667 0.83333333333333 0.36113687724494 15.999 > 1 10 O 0.16666666666667 0.00000000000000 0.13886312275506 15.999 > 10 11 O 0.50000000000000 0.00000000000000 0.13886312275506 15.999 > 10 12 O 0.83333333333333 0.00000000000000 0.13886312275506 15.999 > 10 13 O 0.16666666666667 0.33333333333333 0.13886312275506 15.999 > 10 14 O 0.50000000000000 0.33333333333333 0.13886312275506 15.999 > 10 15 O 0.83333333333333 0.33333333333333 0.13886312275506 15.999 > 10 16 O 0.16666666666667 0.66666666666667 0.13886312275506 15.999 > 10 17 O 0.50000000000000 0.66666666666667 0.13886312275506 15.999 > 10 18 O 0.83333333333333 0.66666666666667 0.13886312275506 15.999 > 10 19 O 0.16666666666667 0.00000000000000 0.86113687724494 15.999 > 1 20 O 0.50000000000000 0.00000000000000 0.86113687724494 15.999 > 1 21 O 0.83333333333333 0.00000000000000 0.86113687724494 15.999 > 1 22 O 0.16666666666667 0.33333333333333 0.86113687724494 15.999 > 1 23 O 0.50000000000000 0.33333333333333 0.86113687724494 15.999 > 1 24 O 0.83333333333333 0.33333333333333 0.86113687724494 15.999 > 1 25 O 0.16666666666667 0.66666666666667 0.86113687724494 15.999 > 1 26 O 0.50000000000000 0.66666666666667 0.86113687724494 15.999 > 1 27 O 0.83333333333333 0.66666666666667 0.86113687724494 15.999 > 1 28 O 0.00000000000000 0.16666666666667 0.63886312275506 15.999 > 10 29 O 0.33333333333333 0.16666666666667 0.63886312275506 15.999 > 10 30 O 0.66666666666667 0.16666666666667 0.63886312275506 15.999 > 10 31 O 0.00000000000000 0.50000000000000 0.63886312275506 15.999 > 10 32 O 0.33333333333333 0.50000000000000 0.63886312275506 15.999 > 10 33 O 0.66666666666667 0.50000000000000 0.63886312275506 15.999 > 10 34 O 0.00000000000000 0.83333333333333 0.63886312275506 15.999 > 10 35 O 0.33333333333333 0.83333333333333 0.63886312275506 15.999 > 10 36 O 0.66666666666667 0.83333333333333 0.63886312275506 15.999 > 10 37 Na 0.16666666666667 0.16666666666667 0.17468301505567 22.990 > 37 38 Na 0.50000000000000 0.16666666666667 0.17468301505567 22.990 > 37 39 Na 0.83333333333333 0.16666666666667 0.17468301505567 22.990 > 37 40 Na 0.16666666666667 0.50000000000000 0.17468301505567 22.990 > 37 41 Na 0.50000000000000 0.50000000000000 0.17468301505567 22.990 > 37 42 Na 0.83333333333333 0.50000000000000 0.17468301505567 22.990 > 37 43 Na 0.16666666666667 0.83333333333333 0.17468301505567 22.990 > 37 44 Na 0.50000000000000 0.83333333333333 0.17468301505567 22.990 > 37 45 Na 0.83333333333333 0.83333333333333 0.17468301505567 22.990 > 37 46 Na 0.00000000000000 0.00000000000000 0.32531698494433 22.990 > 46 47 Na 0.33333333333333 0.00000000000000 0.32531698494433 22.990 > 46 48 Na 0.66666666666667 0.00000000000000 0.32531698494433 22.990 > 46 49 Na 0.00000000000000 0.33333333333333 0.32531698494433 22.990 > 46 50 Na 0.33333333333333 0.33333333333333 0.32531698494433 22.990 > 46 51 Na 0.66666666666667 0.33333333333333 0.32531698494433 22.990 > 46 52 Na 0.00000000000000 0.66666666666667 0.32531698494433 22.990 > 46 53 Na 0.33333333333333 0.66666666666667 0.32531698494433 22.990 > 46 54 Na 0.66666666666667 0.66666666666667 0.32531698494433 22.990 > 46 55 Na 0.00000000000000 0.00000000000000 0.67468301505567 22.990 > 37 56 Na 0.33333333333333 0.00000000000000 0.67468301505567 22.990 > 37 57 Na 0.66666666666667 0.00000000000000 0.67468301505567 22.990 > 37 58 Na 0.00000000000000 0.33333333333333 0.67468301505567 22.990 > 37 59 Na 0.33333333333333 0.33333333333333 0.67468301505567 22.990 > 37 60 Na 0.66666666666667 0.33333333333333 0.67468301505567 22.990 > 37 61 Na 0.00000000000000 0.66666666666667 0.67468301505567 22.990 > 37 62 Na 0.33333333333333 0.66666666666667 0.67468301505567 22.990 > 37 63 Na 0.66666666666667 0.66666666666667 0.67468301505567 22.990 > 37 64 Na 0.16666666666667 0.16666666666667 0.82531698494433 22.990 > 46 65 Na 0.50000000000000 0.16666666666667 0.82531698494433 22.990 > 46 66 Na 0.83333333333333 0.16666666666667 0.82531698494433 22.990 > 46 67 Na 0.16666666666667 0.50000000000000 0.82531698494433 22.990 > 46 68 Na 0.50000000000000 0.50000000000000 0.82531698494433 22.990 > 46 69 Na 0.83333333333333 0.50000000000000 0.82531698494433 22.990 > 46 70 Na 0.16666666666667 0.83333333333333 0.82531698494433 22.990 > 46 71 Na 0.50000000000000 0.83333333333333 0.82531698494433 22.990 > 46 72 Na 0.83333333333333 0.83333333333333 0.82531698494433 22.990 > 46 73 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 73 74 Pt 0.33333333333333 0.00000000000000 0.00000000000000 195.084 > 73 75 Pt 0.66666666666667 0.00000000000000 0.00000000000000 195.084 > 73 76 Pt 0.00000000000000 0.33333333333333 0.00000000000000 195.084 > 73 77 Pt 0.33333333333333 0.33333333333333 0.00000000000000 195.084 > 73 78 Pt 0.66666666666667 0.33333333333333 0.00000000000000 195.084 > 73 79 Pt 0.00000000000000 0.66666666666667 0.00000000000000 195.084 > 73 80 Pt 0.33333333333333 0.66666666666667 0.00000000000000 195.084 > 73 81 Pt 0.66666666666667 0.66666666666667 0.00000000000000 195.084 > 73 82 Pt 0.16666666666667 0.16666666666667 0.50000000000000 195.084 > 73 83 Pt 0.50000000000000 0.16666666666667 0.50000000000000 195.084 > 73 84 Pt 0.83333333333333 0.16666666666667 0.50000000000000 195.084 > 73 85 Pt 0.16666666666667 0.50000000000000 0.50000000000000 195.084 > 73 86 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 73 87 Pt 0.83333333333333 0.50000000000000 0.50000000000000 195.084 > 73 88 Pt 0.16666666666667 0.83333333333333 0.50000000000000 195.084 > 73 89 Pt 0.50000000000000 0.83333333333333 0.50000000000000 195.084 > 73 90 Pt 0.83333333333333 0.83333333333333 0.50000000000000 195.084 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7904089 0.0000000 0.0000000 0.0000000 3.9421653 0.0000000 0.0000000 0.0000000 3.7923387 -------------------------- Born effective charges -------------------------- 1 O -2.8775022 0.0000000 0.0000000 0.0000000 -0.3750735 0.0000000 0.0000000 0.0000000 -1.6896369 2 O -2.8775022 0.0000000 0.0000000 0.0000000 -0.3750735 0.0000000 0.0000000 0.0000000 -1.6896369 3 Na 1.0210658 0.0000000 0.0000000 0.0000000 1.1852482 0.0000000 0.0000000 0.0000000 1.2688157 4 Na 1.0210658 0.0000000 0.0000000 0.0000000 1.1852482 0.0000000 0.0000000 0.0000000 1.2688157 5 Pt 3.7128728 0.0000000 0.0000000 0.0000000 -1.6203494 0.0000000 0.0000000 0.0000000 0.8416424 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 1 1760 ] Grid generation matrix: [ 0 16 16 ] [ 11 0 11 ] [ 5 5 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: 1.02, Number of G-points: 315, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/306) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 306 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 3.878 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.977 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 6.407 ( 0.000 0.000 0.000) 0.000 10.166 ( 0.000 0.000 0.000) 0.000 11.282 ( 0.000 0.000 0.000) 0.000 15.283 ( 0.000 0.000 0.000) 0.000 15.306 ( 0.000 0.000 0.000) 0.000 16.335 ( 0.000 0.000 0.000) 0.000 16.531 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/306) ======================= q-point: ( 0.36 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 4.683 3.369 -0.114) 5.770 4.046 ( 9.561 1.910 -0.897) 9.791 4.751 ( -0.249 0.789 -0.807) 1.156 5.282 ( 0.989 13.988 -0.116) 14.024 5.839 ( 6.306 0.554 0.616) 6.361 6.062 ( -3.264 -4.705 1.956) 6.051 6.508 ( 1.090 15.002 0.554) 15.051 7.290 ( 8.879 14.361 1.064) 16.918 7.349 ( 3.989 15.785 -1.629) 16.362 8.706 ( -4.815 -27.796 -0.690) 28.218 11.026 ( 8.474 -10.746 0.420) 13.692 13.940 ( 6.623 -0.365 -0.022) 6.633 15.290 ( -19.953 1.478 0.080) 20.008 15.622 ( 5.932 1.471 -2.924) 6.775 17.893 ( -3.221 0.577 0.563) 3.321 ======================= Grid point 2 (3/306) ======================= q-point: (-0.27 -0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -14.214 -5.680 -11.615) 19.215 2.315 ( -9.934 -15.500 -8.201) 20.154 2.689 ( -41.717 -1.663 -4.530) 41.995 4.347 ( -20.669 -1.901 6.123) 21.640 4.467 ( -9.066 3.055 1.363) 9.663 4.953 ( -7.124 4.247 -0.828) 8.335 5.625 ( -9.542 -22.969 9.226) 26.528 6.358 ( 4.194 -7.107 7.267) 10.996 7.484 ( 11.237 -27.227 -15.667) 33.362 9.543 ( -11.287 22.861 -0.603) 25.503 10.787 ( 15.728 11.536 3.444) 19.807 14.934 ( 20.541 -3.859 -1.217) 20.936 15.738 ( 4.438 4.563 11.170) 12.856 16.919 ( -9.237 1.754 -5.568) 10.927 17.264 ( -26.230 16.786 -2.239) 31.221 ======================= Grid point 3 (4/306) ======================= q-point: ( 0.09 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 15.441 13.361 8.013) 21.935 3.238 ( 29.192 0.553 0.592) 29.204 4.345 ( -7.767 12.307 4.519) 15.239 4.588 ( 2.037 -2.641 -1.116) 3.517 5.325 ( 6.727 1.113 -5.948) 9.049 5.801 ( 12.208 5.177 -4.798) 14.102 6.024 ( 18.844 10.912 3.068) 21.990 6.265 ( 3.313 -2.962 4.723) 6.485 6.363 ( 15.075 -0.778 0.213) 15.096 10.153 ( -14.028 -5.979 2.366) 15.432 11.066 ( 16.664 -6.111 -1.466) 17.810 13.935 ( -6.859 0.187 -1.404) 7.004 15.689 ( -2.775 -0.175 -15.922) 16.163 16.546 ( -20.926 -1.990 1.082) 21.048 18.091 ( -7.860 -2.003 -3.040) 8.662 ======================= Grid point 4 (5/306) ======================= q-point: ( 0.45 -0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -24.351 2.590 -0.354) 24.491 2.811 ( -9.750 2.885 3.023) 10.608 4.562 ( -28.847 2.538 -5.980) 29.569 4.842 ( -15.589 5.152 2.596) 16.622 5.172 ( -16.748 -3.494 -0.500) 17.116 5.300 ( -16.440 -5.701 4.823) 18.056 5.762 ( -3.545 -0.242 -1.727) 3.951 7.544 ( 5.543 25.999 -3.438) 26.804 7.741 ( 3.507 1.656 3.771) 5.410 9.408 ( 22.907 -13.365 -1.964) 26.594 9.580 ( -25.076 -6.275 1.331) 25.884 14.210 ( 16.520 0.412 0.044) 16.525 15.619 ( -0.840 -9.485 -3.098) 10.013 16.666 ( 14.210 1.703 1.787) 14.423 17.765 ( -12.669 -1.876 -0.273) 12.810 ======================= Grid point 5 (6/306) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 8.849 -27.107 -0.000) 28.515 1.807 ( 35.251 -3.174 -0.000) 35.394 3.590 ( 53.387 0.331 -0.000) 53.388 4.712 ( 1.009 4.279 0.000) 4.396 4.890 ( 14.026 -2.612 -0.000) 14.267 5.257 ( 15.075 3.466 -0.000) 15.468 5.482 ( -2.283 -17.765 -0.000) 17.911 6.286 ( -3.834 -1.298 0.000) 4.048 6.393 ( 5.422 -28.258 -0.000) 28.774 10.218 ( 14.858 17.016 0.000) 22.590 10.646 ( -18.288 6.049 0.000) 19.262 14.498 ( -17.515 -1.206 0.000) 17.556 16.342 ( -2.426 7.092 0.000) 7.495 16.668 ( -1.170 -0.976 -0.000) 1.524 18.134 ( 10.719 22.249 0.000) 24.696 ======================= Grid point 6 (7/306) ======================= q-point: ( 0.18 -0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -15.865 13.517 -1.037) 20.869 3.797 ( -23.392 0.289 1.063) 23.418 4.370 ( 11.821 23.845 -3.166) 26.802 4.511 ( 2.063 1.867 -3.669) 4.605 5.570 ( -0.056 4.825 3.985) 6.258 6.001 ( 0.251 1.740 -2.911) 3.401 6.319 ( -12.212 -2.645 3.385) 12.946 6.636 ( -6.449 16.115 -1.801) 17.450 6.725 ( -25.223 -0.050 1.500) 25.267 9.688 ( 10.668 -12.550 -0.758) 16.489 11.223 ( -14.022 -10.482 0.218) 17.508 13.893 ( -0.268 -0.336 0.714) 0.833 15.735 ( 19.398 0.183 6.107) 20.337 16.136 ( 9.797 -4.786 0.319) 10.908 17.935 ( 7.511 -0.427 0.722) 7.558 ======================= Grid point 7 (8/306) ======================= q-point: (-0.46 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 16.981 -6.176 -2.649) 18.262 1.779 ( 24.931 -0.827 -2.897) 25.112 2.778 ( -1.176 -3.776 -3.173) 5.070 4.106 ( 12.122 -1.582 2.109) 12.406 4.130 ( 9.719 2.613 -1.086) 10.122 4.688 ( 3.250 0.915 4.802) 5.870 5.829 ( -1.058 1.700 -2.569) 3.257 7.487 ( 3.136 -38.117 14.515) 40.907 7.993 ( 2.647 35.314 -8.496) 36.418 8.737 ( -2.875 -11.397 -8.422) 14.460 10.538 ( -9.277 10.312 4.646) 14.628 15.465 ( -2.581 -3.074 0.699) 4.074 15.664 ( -22.703 2.951 -1.212) 22.926 16.498 ( 17.337 -0.382 -0.463) 17.348 16.618 ( 16.995 0.576 -1.909) 17.111 ======================= Grid point 8 (9/306) ======================= q-point: (-0.10 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( -1.339 -1.853 0.088) 2.288 3.664 ( 5.766 -18.048 -0.426) 18.952 4.165 ( -1.789 -2.701 1.604) 3.615 4.678 ( 2.566 1.142 0.241) 2.819 5.344 ( -1.545 -4.061 -1.392) 4.563 5.628 ( -3.172 -11.704 0.295) 12.130 6.472 ( 0.149 1.219 -0.720) 1.423 6.849 ( 0.500 1.770 1.584) 2.427 7.301 ( 0.051 -0.394 -1.094) 1.164 9.712 ( 0.603 7.360 -0.001) 7.385 11.649 ( -0.194 4.465 -0.005) 4.469 14.060 ( 0.216 0.290 -0.221) 0.424 15.003 ( -1.278 -0.668 -0.520) 1.533 15.863 ( -4.383 1.138 1.885) 4.905 17.743 ( 0.775 -0.974 -1.011) 1.603 ======================= Grid point 9 (10/306) ======================= q-point: ( 0.27 -0.07 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -8.372 11.771 14.199) 20.255 1.518 ( -43.398 6.015 6.278) 44.260 2.216 ( -2.197 20.630 5.571) 21.482 4.085 ( -14.623 1.228 -3.235) 15.027 4.267 ( -10.210 -4.064 0.787) 11.018 4.906 ( -1.175 -3.845 -3.389) 5.259 5.795 ( 0.969 10.794 -11.550) 15.838 6.575 ( 1.006 17.354 -8.635) 19.410 7.302 ( 9.259 28.447 20.053) 36.015 9.361 ( -5.289 -27.313 1.077) 27.841 11.176 ( 13.777 -9.667 -5.375) 17.668 15.294 ( 14.341 5.222 -1.310) 15.318 15.893 ( -11.780 -11.482 0.915) 16.476 16.524 ( -26.385 -5.847 5.070) 27.496 16.590 ( -10.194 -1.504 4.930) 11.423 ======================= Grid point 10 (11/306) ======================= q-point: (-0.37 0.37 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 7.474 -4.839 -0.000) 8.904 3.810 ( 22.541 0.271 -0.000) 22.542 4.553 ( -1.384 -4.541 -0.000) 4.747 5.342 ( 1.726 -15.859 -0.000) 15.953 5.829 ( 4.408 3.612 0.000) 5.699 5.851 ( 7.091 4.247 -0.000) 8.266 6.260 ( 12.520 -8.475 -0.000) 15.119 6.963 ( 14.888 -17.260 -0.000) 22.794 7.492 ( -0.837 -17.518 -0.000) 17.538 8.968 ( -14.787 23.264 0.000) 27.566 10.718 ( 17.868 11.986 -0.000) 21.516 13.879 ( -0.067 0.605 0.000) 0.608 15.803 ( -24.898 0.116 0.000) 24.898 15.867 ( -1.128 7.841 0.000) 7.922 17.934 ( -3.035 -0.201 0.000) 3.042 ======================= Grid point 11 (12/306) ======================= q-point: (-0.01 -0.19 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -15.861 -0.000 -11.313) 19.482 1.840 ( -33.643 -0.000 -7.655) 34.502 3.624 ( -54.435 -0.000 -0.502) 54.437 4.540 ( 3.975 0.000 11.428) 12.099 4.914 ( -4.386 0.000 0.799) 4.458 5.043 ( -19.500 0.000 9.227) 21.573 5.545 ( -10.702 -0.000 -12.210) 16.236 5.742 ( -2.934 -0.000 -7.263) 7.833 6.338 ( 3.463 -0.000 -2.354) 4.187 10.512 ( -11.534 0.000 3.832) 12.154 10.798 ( 13.258 -0.000 -3.288) 13.659 14.463 ( 16.612 0.000 0.898) 16.636 16.173 ( 1.598 0.000 18.598) 18.667 16.867 ( 1.130 -0.000 -11.114) 11.171 18.642 ( 8.262 0.000 8.693) 11.993 ======================= Grid point 12 (13/306) ======================= q-point: ( 0.36 0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 15.015 4.708 1.672) 15.825 2.846 ( 15.682 2.504 0.042) 15.881 4.396 ( 22.371 3.805 2.767) 22.861 4.947 ( 22.451 0.199 4.688) 22.936 5.146 ( 24.028 1.146 -5.162) 24.603 5.330 ( 8.857 -1.698 -4.432) 10.048 5.888 ( 3.021 -8.274 3.048) 9.320 6.773 ( 6.733 34.224 -2.603) 34.977 7.693 ( -12.787 21.470 4.394) 25.373 9.605 ( -16.837 -20.988 -2.365) 27.010 9.930 ( 18.665 -15.886 1.376) 24.548 14.200 ( -16.622 0.968 0.322) 16.653 15.419 ( 1.394 2.384 -7.987) 8.451 16.779 ( -16.644 -3.605 1.084) 17.064 17.796 ( 11.234 -3.181 -0.710) 11.698 ======================= Grid point 13 (14/306) ======================= q-point: (-0.28 -0.32 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -8.200 -9.368 -1.270) 12.515 3.285 ( -25.503 -1.186 0.115) 25.531 4.576 ( -6.817 -2.351 -3.040) 7.825 5.075 ( -3.055 -11.444 -0.760) 11.870 5.465 ( -7.709 -6.579 4.278) 11.001 5.787 ( -28.415 1.859 1.355) 28.508 6.130 ( -6.017 4.465 -3.471) 8.257 6.426 ( -11.376 -13.365 -3.425) 17.881 6.960 ( 7.102 -27.180 1.849) 28.153 9.667 ( 16.564 20.208 0.463) 26.134 10.640 ( -19.944 13.443 -0.698) 24.062 13.935 ( 8.109 -0.584 0.244) 8.134 15.419 ( -2.915 -2.204 10.677) 11.285 16.421 ( 25.053 3.096 1.102) 25.268 17.967 ( -1.031 1.869 0.434) 2.178 ======================= Grid point 14 (15/306) ======================= q-point: ( 0.08 0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 12.423 24.700 6.965) 28.512 1.284 ( 22.379 7.469 16.290) 28.670 2.510 ( 56.325 0.927 5.194) 56.571 4.498 ( 15.547 -2.665 -10.984) 19.222 4.645 ( 13.831 -3.025 -2.287) 14.341 4.878 ( 3.835 15.784 -18.231) 24.418 5.313 ( 3.495 -8.556 9.506) 13.258 6.026 ( -5.076 23.167 14.637) 27.870 6.407 ( -4.805 -1.185 7.085) 8.642 10.214 ( 9.184 -8.523 -3.006) 12.885 11.047 ( -13.314 -1.427 1.508) 13.475 14.822 ( -17.835 1.357 -0.371) 17.891 16.185 ( -1.316 -1.728 -16.809) 16.948 16.803 ( 6.423 -0.576 9.602) 11.566 18.371 ( 15.336 -31.198 -9.606) 36.066 ======================= Grid point 15 (16/306) ======================= q-point: ( 0.45 -0.45 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -3.671 0.856 0.000) 3.770 4.096 ( -7.945 -0.835 0.000) 7.989 4.670 ( -3.480 3.440 0.000) 4.893 5.626 ( 0.806 11.345 0.000) 11.373 5.785 ( -5.030 -8.826 -0.000) 10.159 5.890 ( -3.647 -2.235 0.000) 4.277 6.702 ( -9.090 10.512 0.000) 13.897 7.549 ( -4.130 22.726 0.000) 23.099 7.709 ( 0.034 5.114 0.000) 5.114 8.210 ( 8.159 -28.482 -0.000) 29.627 10.843 ( -10.086 -3.941 0.000) 10.828 13.938 ( -6.024 -0.290 0.000) 6.031 15.320 ( 20.878 -0.434 -0.000) 20.883 15.737 ( -0.525 -4.393 -0.000) 4.424 17.892 ( 2.414 0.817 -0.000) 2.549 ======================= Grid point 16 (17/306) ======================= q-point: (-0.19 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -0.000 -9.974 -12.279) 15.820 0.924 ( -0.000 -8.280 -25.946) 27.235 1.672 ( 0.000 -31.215 -8.545) 32.363 3.881 ( 0.000 -1.903 3.090) 3.629 4.232 ( -0.000 3.107 -1.246) 3.348 5.024 ( -0.000 8.714 -1.659) 8.871 5.386 ( 0.000 -25.975 31.096) 40.517 6.467 ( -0.000 -1.298 -1.325) 1.855 6.983 ( -0.000 -15.969 -24.465) 29.215 9.771 ( -0.000 18.708 0.788) 18.724 11.497 ( 0.000 4.030 11.179) 11.883 15.355 ( -0.000 -1.071 -2.111) 2.367 15.842 ( -0.000 13.510 -31.421) 34.202 16.311 ( 0.000 0.625 0.951) 1.138 16.511 ( -0.000 2.023 -1.601) 2.579 ======================= Grid point 17 (18/306) ======================= q-point: ( 0.17 0.43 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 9.924 6.118 -0.321) 11.663 4.000 ( 7.331 2.163 -1.606) 7.810 4.426 ( -8.891 22.990 4.933) 25.138 4.703 ( -0.703 1.726 2.524) 3.138 5.446 ( 1.667 9.640 -0.089) 9.783 5.857 ( -0.037 13.172 -6.078) 14.507 6.408 ( 3.144 -2.116 3.150) 4.928 6.788 ( 5.138 2.244 -1.981) 5.947 7.156 ( 15.590 1.338 0.915) 15.674 9.560 ( -6.085 -14.654 0.655) 15.881 11.439 ( 7.950 -8.534 -0.053) 11.664 13.956 ( 7.060 -0.367 0.084) 7.070 15.213 ( -15.938 1.749 -0.867) 16.057 15.775 ( 0.106 -1.935 -8.031) 8.262 17.829 ( -4.803 1.188 1.529) 5.178 ======================= Grid point 18 (19/306) ======================= q-point: (-0.46 -0.14 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -10.564 1.474 -1.796) 10.816 2.697 ( -48.751 1.262 -0.958) 48.776 2.774 ( 0.631 -1.729 0.875) 2.038 4.346 ( -17.299 -2.187 1.273) 17.483 4.411 ( -13.874 -0.319 -0.942) 13.909 4.823 ( -8.574 3.471 -4.364) 10.228 5.793 ( 1.257 1.222 3.124) 3.582 7.294 ( -4.768 -39.988 10.375) 41.586 8.214 ( 2.161 21.583 -9.072) 23.512 8.845 ( -6.589 4.016 -1.557) 7.872 10.207 ( 16.668 4.864 2.192) 17.501 15.110 ( 26.253 -1.090 -0.853) 26.289 15.468 ( 1.247 -0.685 1.645) 2.175 16.898 ( -7.979 2.740 -0.513) 8.452 16.951 ( -23.775 2.642 -0.464) 23.926 ======================= Grid point 19 (20/306) ======================= q-point: (-0.10 0.30 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 18.577 -17.280 5.487) 25.958 3.222 ( 32.254 -0.401 0.746) 32.266 4.271 ( -13.497 -11.904 2.310) 18.144 4.620 ( -3.897 3.701 -1.512) 5.583 5.434 ( 11.727 -0.999 -4.032) 12.441 5.869 ( 28.782 -0.576 -1.580) 28.831 5.935 ( 2.581 -6.615 4.366) 8.335 6.165 ( 11.322 -7.873 2.878) 14.087 6.409 ( 11.451 2.269 -2.289) 11.896 10.112 ( -13.931 5.425 1.401) 15.016 11.091 ( 16.160 6.566 -0.843) 17.463 13.965 ( -7.012 0.039 -1.229) 7.119 16.013 ( -8.222 0.850 -14.158) 16.394 16.470 ( -15.178 2.115 6.091) 16.490 18.155 ( -10.958 2.787 -2.605) 11.603 ======================= Grid point 20 (21/306) ======================= q-point: ( 0.26 -0.26 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -9.052 16.556 0.000) 18.869 2.568 ( -34.774 2.597 0.000) 34.870 4.526 ( -38.066 2.177 0.000) 38.128 4.640 ( 3.446 0.622 -0.000) 3.502 5.291 ( -20.790 1.935 0.000) 20.880 5.487 ( -15.574 -5.270 0.000) 16.442 5.753 ( -0.110 9.373 0.000) 9.373 6.343 ( 3.741 16.010 0.000) 16.441 7.035 ( -2.145 27.382 0.000) 27.466 10.069 ( 20.634 -12.907 -0.000) 24.338 10.201 ( -20.888 -19.719 -0.000) 28.725 14.193 ( 14.360 0.403 -0.000) 14.365 16.118 ( 2.172 -10.188 -0.000) 10.417 16.568 ( 11.265 1.153 -0.000) 11.323 17.994 ( -5.980 -9.604 -0.000) 11.313 ======================= Grid point 21 (22/306) ======================= q-point: (-0.38 0.18 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 26.468 -5.909 -3.795) 27.384 2.572 ( 4.539 -10.169 -3.046) 11.545 3.637 ( 49.837 -2.016 -0.336) 49.879 4.651 ( 5.426 -1.568 3.257) 6.520 4.850 ( 20.269 1.187 1.435) 20.355 5.078 ( 13.783 4.635 -0.637) 14.555 5.792 ( 0.267 3.797 -2.375) 4.487 7.019 ( -6.715 -35.443 7.631) 36.872 7.596 ( -3.886 -22.439 -7.384) 23.941 9.335 ( 21.976 24.032 -1.597) 32.604 10.216 ( -22.029 14.581 2.027) 26.495 14.563 ( -20.596 -1.971 -0.153) 20.691 15.811 ( -0.294 9.866 8.422) 12.976 16.811 ( -2.898 -0.710 -5.284) 6.068 17.509 ( 21.968 7.619 0.189) 23.252 ======================= Grid point 22 (23/306) ======================= q-point: (-0.01 -0.39 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -19.447 -0.000 -5.797) 20.293 3.754 ( -22.083 0.000 2.289) 22.201 3.968 ( 15.661 -0.000 -8.680) 17.905 4.636 ( 0.287 -0.000 -3.441) 3.453 5.366 ( 0.491 0.000 6.314) 6.333 5.627 ( 3.292 0.000 7.957) 8.611 6.355 ( -5.698 -0.000 -2.235) 6.120 6.591 ( -19.062 -0.000 -5.212) 19.762 6.700 ( -21.747 0.000 2.515) 21.892 9.975 ( 9.913 -0.000 -2.153) 10.144 11.422 ( -12.943 0.000 1.055) 12.986 13.877 ( -1.145 0.000 1.053) 1.555 15.556 ( 12.012 0.000 9.084) 15.060 16.180 ( 15.533 0.000 4.962) 16.306 17.927 ( 8.913 0.000 0.451) 8.924 ======================= Grid point 23 (24/306) ======================= q-point: ( 0.35 0.05 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 13.264 7.029 8.372) 17.188 1.751 ( 29.867 1.945 7.042) 30.747 2.646 ( -0.397 9.700 5.676) 11.246 4.045 ( 12.840 3.089 -4.414) 13.924 4.210 ( 9.023 -4.048 1.490) 10.001 4.739 ( 3.253 -4.406 -2.449) 5.999 5.831 ( 0.488 4.790 -2.146) 5.272 6.764 ( 1.744 31.385 -16.443) 35.475 8.178 ( -7.824 19.262 13.760) 24.931 8.851 ( 5.840 -27.022 4.918) 28.080 10.795 ( -9.626 -13.983 -7.002) 18.364 15.379 ( -10.161 4.775 -0.040) 11.228 15.761 ( -13.289 -6.125 1.195) 14.681 16.512 ( 20.582 -2.300 2.185) 20.826 16.657 ( 15.863 -3.175 4.376) 16.759 ======================= Grid point 24 (25/306) ======================= q-point: (-0.29 0.49 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( -0.847 -3.243 0.009) 3.351 4.122 ( -2.634 -1.832 0.723) 3.289 4.681 ( 4.403 -1.977 0.451) 4.848 4.849 ( 4.035 -27.798 0.839) 28.102 5.733 ( 1.584 -14.259 -1.872) 14.468 5.959 ( -2.961 -1.804 2.387) 4.210 6.459 ( 1.165 5.376 -3.081) 6.305 7.010 ( -3.273 -18.841 1.046) 19.152 7.346 ( 0.363 -1.442 -0.243) 1.507 9.142 ( 0.134 21.077 0.088) 21.078 11.324 ( 0.414 11.033 -0.061) 11.041 14.044 ( 0.205 0.687 -0.125) 0.728 15.053 ( -1.826 -0.938 -0.344) 2.081 15.763 ( -7.917 1.292 1.337) 8.132 17.821 ( 1.221 -1.484 -0.709) 2.048 ======================= Grid point 25 (26/306) ======================= q-point: ( 0.08 -0.08 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -22.928 5.845 0.000) 23.662 0.865 ( -6.375 35.823 0.000) 36.385 1.276 ( -57.251 5.746 0.000) 57.539 4.261 ( -21.913 -11.913 0.000) 24.942 4.387 ( -11.360 -2.009 0.000) 11.536 5.095 ( -1.804 -7.893 -0.000) 8.097 5.493 ( 25.396 29.685 0.000) 39.066 5.684 ( -2.569 22.384 0.000) 22.530 6.397 ( 1.918 0.950 -0.000) 2.140 10.112 ( -4.474 -9.821 -0.000) 10.792 11.307 ( 16.241 6.007 -0.000) 17.317 15.154 ( 13.860 2.130 -0.000) 14.022 16.435 ( -8.487 0.042 0.000) 8.487 16.501 ( 0.444 -2.920 -0.000) 2.954 17.719 ( -80.985 -83.375 -0.000) 116.232 ======================= Grid point 26 (27/306) ======================= q-point: (-0.56 0.36 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 5.844 1.735 -0.039) 6.097 3.781 ( 20.379 1.093 -0.121) 20.408 4.744 ( -0.577 -2.052 -1.053) 2.378 5.457 ( 4.360 10.092 -1.179) 11.057 5.698 ( 9.545 2.123 0.950) 9.824 5.831 ( 5.911 -11.538 0.436) 12.971 6.439 ( 22.065 0.684 0.850) 22.092 7.543 ( 4.022 16.613 1.936) 17.202 7.737 ( -2.563 15.541 0.212) 15.752 8.324 ( -17.022 -21.622 -2.479) 27.630 10.583 ( 17.843 -6.604 0.619) 19.036 13.861 ( 0.081 0.219 -0.081) 0.247 15.571 ( 4.416 6.039 -0.875) 7.532 15.806 ( -26.302 -0.286 -0.685) 26.313 17.946 ( -1.305 -0.270 0.237) 1.354 ======================= Grid point 27 (28/306) ======================= q-point: (-0.20 -0.20 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -15.964 -13.807 -6.899) 22.205 2.179 ( -17.275 -9.939 -11.352) 22.936 3.611 ( -45.216 0.030 -0.502) 45.219 4.662 ( -17.537 -7.304 6.749) 20.161 4.720 ( -6.287 2.676 1.525) 7.001 4.989 ( -11.064 -11.307 8.352) 17.889 5.641 ( -17.798 -2.037 -3.671) 18.287 6.224 ( 5.306 0.633 2.227) 5.789 6.746 ( 10.308 -23.769 -12.835) 28.913 10.173 ( -15.197 13.602 1.882) 20.482 10.663 ( 16.917 9.663 -0.689) 19.495 14.484 ( 18.454 -1.810 -0.103) 18.543 15.733 ( 2.357 1.961 16.989) 17.263 17.028 ( 2.220 2.116 -7.553) 8.152 17.992 ( -9.212 15.980 6.236) 19.471 ======================= Grid point 28 (29/306) ======================= q-point: ( 0.17 0.23 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 11.207 17.711 5.886) 21.770 2.665 ( 29.032 2.226 4.864) 29.520 4.312 ( 21.743 0.936 -4.210) 22.166 4.762 ( -1.167 7.663 0.964) 7.811 5.088 ( 25.526 8.335 0.868) 26.867 5.282 ( 18.522 2.252 -6.741) 19.838 5.980 ( 15.204 -0.800 7.089) 16.794 6.151 ( -1.209 -1.885 -2.722) 3.525 6.563 ( -7.502 24.938 4.590) 26.443 10.302 ( -16.452 -9.716 0.989) 19.133 10.526 ( 17.302 -13.828 -0.993) 22.171 14.156 ( -14.094 0.931 -0.765) 14.146 15.703 ( -0.881 -1.404 -17.202) 17.281 16.859 ( -14.321 -3.000 5.389) 15.592 18.082 ( 0.674 -8.107 -4.869) 9.481 ======================= Grid point 29 (30/306) ======================= q-point: ( 0.53 -0.33 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( -6.278 -1.877 -0.073) 6.553 3.300 ( -26.710 -0.044 0.879) 26.725 4.756 ( -0.383 1.192 -3.782) 3.983 5.345 ( -7.288 -7.031 5.177) 11.373 5.456 ( -15.062 -3.674 -0.450) 15.510 5.553 ( -25.490 8.103 2.230) 26.840 6.004 ( -15.945 3.727 -3.548) 16.754 7.458 ( -4.493 -20.862 -0.615) 21.350 7.822 ( 6.376 -3.345 -1.383) 7.332 8.753 ( 24.766 10.172 2.247) 26.868 10.163 ( -23.841 8.582 -0.883) 25.354 13.950 ( 9.051 -0.280 0.062) 9.055 15.489 ( -3.486 -7.683 1.113) 8.510 16.315 ( 23.699 1.353 0.593) 23.746 17.922 ( -4.351 0.338 -0.145) 4.366 ======================= Grid point 30 (31/306) ======================= q-point: (-0.11 0.11 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 8.843 -32.943 -0.000) 34.110 1.071 ( 32.195 -2.486 -0.000) 32.291 2.452 ( 59.194 -1.110 -0.000) 59.204 4.639 ( 15.650 7.415 -0.000) 17.318 4.662 ( 14.086 3.837 -0.000) 14.599 5.141 ( 3.572 6.421 0.000) 7.347 5.195 ( -7.244 -20.892 -0.000) 22.112 5.767 ( 5.656 -22.464 -0.000) 23.165 6.351 ( -2.629 0.403 0.000) 2.659 10.248 ( 9.153 9.472 0.000) 13.172 11.030 ( -13.934 0.233 0.000) 13.936 14.828 ( -17.713 -1.291 0.000) 17.760 16.479 ( -1.514 2.811 0.000) 3.193 16.596 ( 6.400 -0.390 -0.000) 6.411 18.484 ( 13.141 38.256 0.000) 40.450 ======================= Grid point 31 (32/306) ======================= q-point: ( 0.26 -0.46 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( -6.709 4.717 0.240) 8.204 4.100 ( -6.490 0.399 0.946) 6.571 4.558 ( -6.131 3.081 -2.554) 7.322 4.841 ( 3.220 30.383 -2.540) 30.658 5.716 ( -0.332 11.068 1.611) 11.190 5.998 ( 0.492 -1.227 -1.762) 2.202 6.394 ( -5.498 -5.043 2.307) 7.809 7.048 ( 0.512 20.280 0.591) 20.295 7.188 ( -15.183 2.459 0.076) 15.381 9.198 ( 5.906 -20.041 -0.135) 20.894 11.231 ( -8.809 -11.821 -0.082) 14.743 13.955 ( -5.977 -0.511 0.189) 6.002 15.312 ( 20.708 0.422 1.376) 20.758 15.898 ( 5.753 -4.120 1.440) 7.221 17.841 ( 3.193 1.441 0.275) 3.513 ======================= Grid point 32 (33/306) ======================= q-point: (-0.38 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -0.000 -4.488 -6.401) 7.817 1.630 ( -0.000 -5.456 -11.484) 12.715 2.653 ( 0.000 -10.246 -6.061) 11.904 3.910 ( 0.000 -3.784 4.472) 5.858 4.113 ( -0.000 4.672 -2.771) 5.432 4.709 ( -0.000 4.487 3.511) 5.698 5.825 ( 0.000 -6.869 3.506) 7.712 6.745 ( 0.000 -29.301 16.576) 33.665 8.261 ( 0.000 -17.631 -13.648) 22.296 8.796 ( -0.000 26.479 -5.216) 26.988 10.894 ( -0.000 14.303 8.091) 16.433 15.446 ( -0.000 -0.827 -1.909) 2.080 16.035 ( -0.000 0.061 -10.737) 10.737 16.261 ( 0.000 0.558 0.988) 1.134 16.416 ( -0.000 3.973 -0.246) 3.980 ======================= Grid point 33 (34/306) ======================= q-point: (-0.02 0.42 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 19.865 0.000 0.911) 19.886 3.634 ( -16.435 0.000 7.859) 18.217 4.076 ( 9.635 -0.000 -2.558) 9.969 4.644 ( 1.639 0.000 4.508) 4.796 5.339 ( -1.750 -0.000 -4.355) 4.693 5.565 ( -3.099 -0.000 -5.261) 6.106 6.448 ( 3.464 0.000 0.438) 3.492 6.802 ( 6.352 0.000 2.748) 6.921 7.132 ( 16.252 -0.000 -1.423) 16.314 9.827 ( -4.860 0.000 1.187) 5.003 11.624 ( 7.034 -0.000 -0.478) 7.050 13.965 ( 6.753 -0.000 -0.272) 6.758 15.227 ( -17.989 -0.000 -3.234) 18.278 15.978 ( -6.281 -0.000 -5.009) 8.034 17.779 ( -5.317 -0.000 0.083) 5.317 ======================= Grid point 34 (35/306) ======================= q-point: ( 0.34 -0.14 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -16.391 9.743 6.858) 20.264 2.457 ( -17.876 10.097 3.067) 20.758 2.675 ( -34.739 4.340 2.237) 35.081 4.437 ( -16.226 -0.851 -2.350) 16.418 4.461 ( -17.067 -1.526 -0.750) 17.152 4.905 ( -4.044 -1.769 -4.270) 6.141 5.796 ( 0.725 -4.098 3.233) 5.270 7.112 ( 2.150 34.514 -14.171) 37.371 7.705 ( 7.240 25.756 13.423) 29.933 8.963 ( -14.851 -29.793 2.936) 33.418 10.624 ( 18.468 -13.583 -3.371) 23.171 15.000 ( 22.674 3.979 0.322) 23.023 15.799 ( -2.309 -10.575 -7.194) 12.997 16.767 ( -7.052 0.748 5.935) 9.248 16.985 ( -28.899 -5.812 1.248) 29.504 ======================= Grid point 35 (36/306) ======================= q-point: (-0.29 0.29 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 10.934 -13.362 -0.000) 17.266 3.243 ( 32.192 -1.105 -0.000) 32.211 4.556 ( -4.483 -1.306 0.000) 4.669 4.949 ( 5.255 -15.721 -0.000) 16.576 5.714 ( 7.247 -7.417 -0.000) 10.370 5.760 ( 11.304 4.716 -0.000) 12.248 5.858 ( 21.867 0.379 -0.000) 21.870 6.392 ( 10.146 -8.742 -0.000) 13.393 7.062 ( 0.724 -25.519 -0.000) 25.529 9.682 ( -17.768 15.660 0.000) 23.684 10.617 ( 20.209 16.179 0.000) 25.888 13.969 ( -7.796 0.336 0.000) 7.803 16.074 ( -2.426 8.878 0.000) 9.204 16.255 ( -19.796 -0.368 0.000) 19.799 18.020 ( -2.412 3.906 0.000) 4.591 ======================= Grid point 36 (37/306) ======================= q-point: ( 0.07 -0.27 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -15.378 21.016 -7.217) 27.023 2.543 ( -35.171 0.756 -3.378) 35.341 4.410 ( -10.888 0.524 4.225) 11.691 4.638 ( -2.614 7.392 6.024) 9.888 4.950 ( -21.334 -1.660 -7.008) 22.517 5.410 ( -17.264 0.097 7.338) 18.758 5.813 ( -13.905 -1.940 -11.066) 17.876 6.012 ( -2.753 19.046 0.015) 19.243 6.286 ( -1.091 -1.818 0.905) 2.305 10.412 ( 15.412 -4.166 -0.911) 15.991 10.766 ( -15.579 -7.738 0.804) 17.414 14.168 ( 13.057 0.259 1.171) 13.112 16.113 ( 2.992 -1.642 17.393) 17.725 16.740 ( 10.487 -1.323 -9.782) 14.402 18.357 ( 8.719 -7.349 4.757) 12.355 ======================= Grid point 37 (38/306) ======================= q-point: ( 0.43 0.17 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 20.174 -0.564 0.921) 20.203 2.781 ( 1.933 1.578 -1.113) 2.732 3.679 ( 47.854 -0.008 1.388) 47.874 4.614 ( 11.191 -0.426 3.331) 11.684 4.770 ( 19.969 2.618 -2.217) 20.261 5.048 ( 13.679 -2.775 0.310) 13.961 5.766 ( -1.281 -2.469 -1.356) 3.094 7.367 ( 2.565 32.957 -6.443) 33.678 8.095 ( -8.601 -8.667 6.227) 13.706 9.133 ( 20.690 -8.792 2.247) 22.593 9.815 ( -22.148 -7.012 -2.505) 23.366 14.614 ( -22.946 0.388 0.369) 22.952 15.457 ( 0.093 2.717 -2.211) 3.504 16.927 ( -4.623 -2.727 0.403) 5.383 17.415 ( 21.021 -1.782 -0.011) 21.096 ======================= Grid point 38 (39/306) ======================= q-point: (-0.20 -0.40 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -11.144 -9.470 -1.268) 14.680 3.722 ( -19.542 -1.093 2.008) 19.676 4.608 ( 4.628 -6.855 -6.127) 10.293 4.714 ( 2.609 -12.959 -4.968) 14.121 5.391 ( -4.025 -9.421 2.780) 10.616 5.894 ( 2.738 -13.492 8.093) 15.970 6.330 ( -4.231 1.889 -3.318) 5.699 6.634 ( -10.841 -1.223 1.296) 10.986 6.731 ( -24.542 -4.348 -1.920) 24.998 9.735 ( 11.364 14.481 -1.134) 18.442 11.211 ( -14.560 9.106 0.228) 17.174 13.862 ( -1.280 -0.026 0.367) 1.332 15.413 ( 1.452 -2.190 7.179) 7.645 15.977 ( 21.596 2.494 6.528) 22.698 17.935 ( 5.097 -0.018 -0.984) 5.192 ======================= Grid point 39 (40/306) ======================= q-point: ( 0.16 0.04 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 10.691 8.277 19.108) 23.408 1.384 ( 39.515 9.135 7.406) 41.228 1.739 ( 11.656 25.522 9.763) 29.708 4.077 ( 17.107 -0.552 -4.886) 17.800 4.340 ( 9.981 -3.210 0.513) 10.497 5.023 ( 0.139 -7.524 0.756) 7.563 5.384 ( 0.263 25.357 -25.980) 36.304 6.440 ( -2.693 1.369 0.728) 3.108 6.775 ( -14.593 23.649 25.353) 37.616 9.814 ( 4.511 -18.309 -1.011) 18.883 11.300 ( -14.827 -2.607 -4.367) 15.675 15.205 ( -14.306 3.650 -0.341) 14.769 16.113 ( 4.447 -8.600 -7.712) 12.378 16.619 ( 9.277 -1.354 4.904) 10.580 16.817 ( 51.780 -27.716 12.826) 60.116 ======================= Grid point 40 (41/306) ======================= q-point: (-0.48 0.48 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( -0.153 -0.893 -0.000) 0.906 4.157 ( -0.657 -0.466 -0.000) 0.805 4.732 ( 1.402 -0.722 -0.000) 1.577 5.594 ( -2.224 -12.079 -0.000) 12.282 5.862 ( 2.725 9.962 0.000) 10.328 5.917 ( -0.813 0.603 0.000) 1.012 6.806 ( 1.784 -11.495 -0.000) 11.633 7.601 ( 2.039 -17.110 -0.000) 17.231 7.694 ( -1.527 -7.930 -0.000) 8.075 8.120 ( -2.309 27.159 0.000) 27.257 10.948 ( 0.434 4.562 0.000) 4.583 14.024 ( 0.011 0.213 0.000) 0.213 15.077 ( -0.437 -0.197 0.000) 0.479 15.722 ( -2.114 0.278 0.000) 2.132 17.868 ( 0.308 -0.424 -0.000) 0.524 ======================= Grid point 41 (42/306) ======================= q-point: (-0.11 -0.09 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -10.647 -11.355 -16.605) 22.760 0.991 ( -11.604 -24.371 -13.623) 30.235 1.435 ( -47.333 -5.252 -14.801) 49.870 4.118 ( -20.143 3.940 9.048) 22.430 4.392 ( -10.512 1.961 -0.221) 10.695 4.820 ( -1.921 -23.230 31.361) 39.075 5.323 ( 2.644 16.521 -12.790) 21.060 6.225 ( 13.633 -21.293 -8.486) 26.669 6.545 ( 12.607 -0.180 -21.744) 25.135 10.081 ( -4.204 8.641 3.065) 10.086 11.288 ( 11.326 -2.954 0.928) 11.742 15.151 ( 14.323 -1.819 -0.363) 14.443 16.213 ( 1.730 2.420 10.584) 10.994 16.641 ( -8.532 0.773 -5.383) 10.118 17.669 ( -61.143 54.072 4.093) 81.725 ======================= Grid point 42 (43/306) ======================= q-point: ( 0.25 0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 8.610 7.540 0.189) 11.446 3.746 ( 19.656 1.252 -1.450) 19.749 4.662 ( 2.576 2.534 3.616) 5.112 5.050 ( -4.366 15.672 0.824) 16.290 5.606 ( 5.990 9.485 -0.812) 11.247 6.070 ( 0.601 5.331 -1.373) 5.538 6.254 ( 6.037 -4.244 4.549) 8.669 6.750 ( 19.807 8.854 -0.170) 21.697 6.950 ( 5.792 19.113 -2.783) 20.165 9.381 ( -11.862 -21.234 -0.110) 24.323 10.999 ( 15.521 -12.060 0.571) 19.664 13.862 ( 0.781 0.010 -0.336) 0.850 15.465 ( -0.496 3.003 -5.970) 6.701 15.922 ( -22.050 -2.978 -4.518) 22.704 17.936 ( -3.511 0.124 0.769) 3.597 ======================= Grid point 43 (44/306) ======================= q-point: (-0.39 -0.21 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -19.239 -1.609 -3.912) 19.699 2.707 ( -2.398 -5.783 -0.570) 6.286 3.669 ( -45.849 -0.879 -2.184) 45.910 4.627 ( -11.137 1.150 -3.629) 11.770 4.708 ( -21.714 -3.467 4.933) 22.535 5.123 ( -11.158 3.908 -1.056) 11.870 5.851 ( -1.455 5.186 0.463) 5.406 6.631 ( -7.292 -37.952 8.795) 39.634 7.963 ( 13.799 -18.957 -8.012) 24.778 9.445 ( -18.789 20.541 -3.068) 28.006 10.073 ( 19.023 16.308 4.034) 25.379 14.592 ( 22.224 -1.786 -1.266) 22.332 15.418 ( 1.365 -1.271 7.718) 7.941 17.000 ( 5.118 4.400 -2.376) 7.156 17.487 ( -19.491 5.585 0.720) 20.288 ======================= Grid point 44 (45/306) ======================= q-point: (-0.02 0.22 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 17.905 0.000 9.643) 20.336 2.536 ( 35.410 0.000 3.264) 35.560 4.400 ( -9.947 -0.000 -3.034) 10.400 4.554 ( 29.148 -0.000 -8.522) 30.368 4.999 ( 14.210 0.000 8.609) 16.614 5.410 ( 17.395 -0.000 -7.837) 19.079 5.793 ( 1.782 0.000 0.389) 1.824 5.839 ( 16.046 0.000 10.927) 19.413 6.307 ( 1.376 -0.000 -1.142) 1.788 10.453 ( -14.628 0.000 1.001) 14.663 10.843 ( 14.927 -0.000 -0.863) 14.952 14.165 ( -12.864 -0.000 -1.278) 12.927 16.129 ( -3.178 -0.000 -17.838) 18.119 16.754 ( -10.164 0.000 9.999) 14.258 18.434 ( -11.955 -0.000 -5.420) 13.127 ======================= Grid point 45 (46/306) ======================= q-point: ( 0.34 -0.34 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( -8.006 7.112 0.000) 10.708 3.265 ( -30.822 1.058 0.000) 30.841 4.614 ( 4.022 4.341 0.000) 5.917 5.184 ( -16.978 9.195 0.000) 19.308 5.656 ( -12.332 -5.596 0.000) 13.543 5.671 ( -15.934 -8.007 0.000) 17.832 5.928 ( -13.743 3.676 0.000) 14.226 6.805 ( -0.366 30.918 0.000) 30.921 7.505 ( 0.567 17.642 0.000) 17.651 9.326 ( 20.789 -20.052 -0.000) 28.884 10.301 ( -23.493 -14.405 0.000) 27.558 13.962 ( 8.301 -0.352 -0.000) 8.309 15.882 ( 0.566 -10.291 -0.000) 10.307 16.265 ( 20.672 0.699 -0.000) 20.684 17.958 ( -1.527 -2.323 -0.000) 2.780 ======================= Grid point 46 (47/306) ======================= q-point: (-0.30 0.10 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 20.267 -8.495 -9.748) 24.040 2.176 ( 8.466 -18.679 -4.575) 21.013 2.596 ( 47.456 -3.468 -3.571) 47.716 4.449 ( 20.509 0.615 3.282) 20.779 4.502 ( 11.267 2.673 1.371) 11.661 4.964 ( 5.688 3.972 1.617) 7.124 5.781 ( -0.187 -9.396 4.722) 10.518 6.530 ( -3.909 -19.953 9.392) 22.397 7.137 ( -6.072 -29.959 -16.274) 34.630 9.527 ( 11.485 25.745 -0.744) 28.201 10.854 ( -17.974 9.370 2.490) 20.422 14.924 ( -20.467 -3.617 -0.014) 20.784 15.995 ( 0.755 8.648 12.412) 15.147 16.769 ( 6.506 0.745 -8.404) 10.654 17.205 ( 33.807 17.607 -2.655) 38.210 ======================= Grid point 47 (48/306) ======================= q-point: ( 0.06 -0.46 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -16.872 6.219 -0.229) 17.984 3.787 ( 13.790 14.701 -6.694) 21.239 4.094 ( -9.470 2.469 1.570) 9.912 4.626 ( -1.902 -1.238 -4.462) 5.006 5.372 ( 1.264 3.429 4.014) 5.428 5.696 ( 3.648 11.910 4.610) 13.282 6.433 ( -3.695 -1.499 0.189) 3.992 6.785 ( -6.050 -1.298 -2.540) 6.688 7.135 ( -16.308 0.360 1.067) 16.347 9.756 ( 5.011 -7.146 -1.058) 8.792 11.577 ( -7.243 -4.732 0.376) 8.660 13.963 ( -6.691 -0.183 0.262) 6.699 15.233 ( 18.054 0.650 3.033) 18.319 15.961 ( 5.907 -1.725 4.918) 7.878 17.787 ( 5.060 0.781 -0.135) 5.122 ======================= Grid point 48 (49/306) ======================= q-point: ( 0.43 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -0.000 3.229 1.776) 3.685 1.732 ( -0.000 4.690 4.336) 6.387 2.792 ( -0.000 3.999 3.344) 5.213 3.977 ( -0.000 0.937 -1.527) 1.792 4.029 ( 0.000 -1.761 1.084) 2.068 4.656 ( -0.000 -1.052 -5.601) 5.699 5.840 ( 0.000 -1.551 2.568) 3.000 7.447 ( -0.000 37.285 -15.242) 40.281 7.966 ( 0.000 -36.941 8.983) 38.017 8.778 ( -0.000 12.944 8.673) 15.581 10.632 ( 0.000 -10.545 -5.157) 11.738 15.463 ( -0.000 0.805 0.670) 1.047 16.080 ( 0.000 3.915 4.909) 6.279 16.250 ( 0.000 -0.477 -0.355) 0.595 16.348 ( 0.000 -2.547 -1.016) 2.742 ======================= Grid point 49 (50/306) ======================= q-point: (-0.21 0.41 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 11.760 -6.506 -0.250) 13.442 4.063 ( 0.785 -8.128 -2.073) 8.425 4.225 ( 0.195 -23.083 4.672) 23.552 4.532 ( 5.261 -0.734 3.195) 6.199 5.545 ( -1.911 -6.221 -2.750) 7.065 5.954 ( -4.183 -6.569 0.774) 7.826 6.479 ( 5.042 1.097 -5.408) 7.475 6.735 ( 3.604 -7.922 4.036) 9.593 7.166 ( 16.195 -0.269 -0.873) 16.221 9.533 ( -4.849 13.684 0.441) 14.524 11.443 ( 7.698 9.196 -0.088) 11.993 13.964 ( 6.068 0.421 -0.292) 6.089 15.304 ( -20.859 -0.384 -2.112) 20.969 15.971 ( -8.261 3.096 -1.231) 8.908 17.816 ( -3.888 -1.087 -0.612) 4.083 ======================= Grid point 50 (51/306) ======================= q-point: ( 0.15 -0.15 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -29.052 6.358 0.000) 29.740 1.641 ( -6.294 29.161 0.000) 29.833 2.488 ( -55.896 2.617 0.000) 55.957 4.533 ( -20.189 -3.643 0.000) 20.515 4.582 ( -11.796 -3.831 0.000) 12.403 5.046 ( -5.549 -3.613 0.000) 6.622 5.622 ( 10.957 19.564 0.000) 22.423 6.280 ( -5.513 28.651 0.000) 29.177 6.381 ( 5.507 5.945 0.000) 8.104 9.969 ( -9.973 -18.601 -0.000) 21.106 10.999 ( 17.277 -3.407 -0.000) 17.610 14.865 ( 18.839 2.505 -0.000) 19.005 16.383 ( 1.376 -7.440 -0.000) 7.566 16.609 ( -6.634 0.985 0.000) 6.706 17.698 ( -35.945 -35.799 -0.000) 50.730 ======================= Grid point 51 (52/306) ======================= q-point: (-0.48 0.28 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 6.663 -2.180 0.030) 7.011 3.295 ( 28.110 -0.593 -0.993) 28.133 4.694 ( -0.741 -4.461 1.642) 4.811 5.376 ( 20.262 -8.398 -1.659) 21.996 5.475 ( 13.259 6.505 0.481) 14.777 5.594 ( 11.294 8.208 -4.139) 14.562 5.946 ( 18.851 -2.368 3.406) 19.302 7.455 ( -2.632 -29.613 0.753) 29.739 7.704 ( -0.549 -1.055 -1.387) 1.828 8.904 ( -24.581 18.925 1.016) 31.039 10.111 ( 25.195 4.189 -0.190) 25.541 13.955 ( -8.800 0.211 0.045) 8.803 15.647 ( 1.893 8.104 2.444) 8.673 16.297 ( -22.284 -0.350 -1.142) 22.316 17.925 ( 3.805 0.715 0.217) 3.878 ======================= Grid point 52 (53/306) ======================= q-point: (-0.12 -0.28 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -13.374 -16.022 -11.118) 23.647 2.634 ( -30.493 -0.999 -4.720) 30.872 4.304 ( -16.941 0.064 4.936) 17.646 4.524 ( -4.389 -11.769 4.870) 13.472 5.067 ( -18.098 3.676 -3.113) 18.728 5.266 ( -23.089 0.143 5.420) 23.717 6.004 ( -2.771 -13.939 -0.374) 14.217 6.026 ( -10.604 -0.108 -4.982) 11.716 6.308 ( 5.427 -0.389 -5.426) 7.684 10.440 ( 12.753 4.470 -1.713) 13.622 10.740 ( -13.789 7.531 1.540) 15.787 14.141 ( 13.516 -0.527 1.108) 13.572 15.723 ( 1.351 0.644 18.768) 18.827 16.906 ( 13.756 1.651 -5.763) 15.005 18.225 ( 5.263 5.617 7.185) 10.530 ======================= Grid point 53 (54/306) ======================= q-point: ( 0.24 0.16 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 22.724 5.593 5.942) 24.144 2.435 ( 6.848 13.310 7.099) 16.567 3.621 ( 45.934 0.941 0.701) 45.949 4.624 ( 7.281 -2.638 0.292) 7.749 4.774 ( 21.554 2.053 -5.704) 22.391 5.146 ( 11.613 0.996 -0.887) 11.689 5.820 ( 9.275 10.074 0.813) 13.718 6.275 ( -3.654 13.261 -7.420) 15.629 7.273 ( -9.748 27.703 10.714) 31.261 9.828 ( 17.159 -20.883 0.603) 27.035 10.438 ( -18.910 -12.969 -1.869) 23.006 14.526 ( -19.663 2.291 0.457) 19.801 15.682 ( -1.578 -3.203 -14.271) 14.711 16.978 ( -3.335 -2.831 6.598) 7.917 17.697 ( 16.679 -12.859 -2.391) 21.196 ======================= Grid point 54 (55/306) ======================= q-point: (-0.39 -0.41 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( -6.550 -4.637 0.061) 8.025 3.754 ( -19.646 -1.581 0.492) 19.716 4.754 ( 0.124 -0.834 -0.852) 1.199 5.253 ( -2.106 -10.451 2.295) 10.906 5.675 ( -10.160 -0.864 -0.191) 10.198 6.055 ( -5.683 9.929 -1.419) 11.528 6.374 ( -13.999 -5.971 -1.776) 15.322 7.107 ( -8.090 -23.027 -3.474) 24.653 7.307 ( 1.939 -23.502 3.495) 23.839 8.872 ( 11.989 28.132 1.191) 30.603 10.775 ( -16.332 11.719 -0.789) 20.117 13.858 ( -0.385 -0.058 0.113) 0.406 15.457 ( -5.675 -5.342 2.426) 8.163 15.816 ( 26.461 0.691 1.901) 26.539 17.950 ( 1.781 0.185 -0.466) 1.850 ======================= Grid point 55 (56/306) ======================= q-point: (-0.03 0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( 14.094 0.000 -0.000) 14.094 0.459 ( 25.904 0.000 -0.000) 25.904 1.228 ( 61.461 0.000 -0.000) 61.461 4.408 ( 11.851 0.000 -0.000) 11.851 4.577 ( 9.918 0.000 -0.000) 9.918 4.943 ( -3.345 -0.000 0.000) 3.345 5.309 ( 6.212 0.000 -0.000) 6.212 5.322 ( -2.229 -0.000 0.000) 2.229 6.393 ( -1.312 -0.000 0.000) 1.312 10.210 ( 4.374 0.000 -0.000) 4.374 11.216 ( -6.549 -0.000 0.000) 6.549 15.133 ( -13.431 -0.000 0.000) 13.431 16.434 ( 8.234 0.000 -0.000) 8.234 16.525 ( -0.647 -0.000 0.000) 0.647 19.036 ( -3.769 -0.000 0.000) 3.769 ======================= Grid point 56 (57/306) ======================= q-point: ( 0.33 -0.53 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 0.409 2.420 0.004) 2.454 4.153 ( 1.651 1.266 -1.055) 2.333 4.722 ( -3.326 2.091 -1.210) 4.111 5.300 ( 1.032 17.591 0.216) 17.623 5.928 ( 2.600 0.108 0.601) 2.670 5.974 ( -4.627 -0.194 1.468) 4.858 6.492 ( -2.081 13.372 -0.625) 13.547 7.397 ( -0.411 10.738 0.310) 10.750 7.409 ( 2.895 13.007 0.154) 13.326 8.670 ( 0.949 -26.340 -0.267) 26.359 11.104 ( -0.670 -10.425 0.089) 10.447 14.031 ( -0.066 -0.525 0.022) 0.530 15.070 ( 1.069 0.727 -0.017) 1.293 15.738 ( 5.018 -1.097 -0.495) 5.160 17.849 ( -0.751 1.234 0.355) 1.488 ======================= Grid point 57 (58/306) ======================= q-point: (-0.31 -0.09 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -12.310 -6.445 -13.471) 19.353 1.700 ( -31.300 -3.458 -10.094) 33.069 2.390 ( -1.710 -16.120 -10.000) 19.046 3.989 ( -14.003 -2.512 5.588) 15.284 4.286 ( -7.937 3.614 -0.901) 8.767 4.863 ( -2.383 7.699 -0.207) 8.062 5.467 ( -5.765 -30.244 17.745) 35.536 6.428 ( 2.621 -3.506 6.476) 7.817 7.702 ( 9.609 -25.413 -16.772) 31.929 9.380 ( -5.134 23.990 -0.509) 24.538 11.048 ( 9.882 10.972 5.988) 15.934 15.291 ( 13.592 -3.946 -1.242) 14.208 15.887 ( 11.242 6.092 1.447) 12.868 16.599 ( -22.504 5.954 -2.990) 23.469 16.755 ( -20.798 7.978 -8.045) 23.684 ======================= Grid point 58 (59/306) ======================= q-point: ( 0.06 0.34 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 17.714 10.452 4.124) 20.977 3.756 ( 21.616 0.282 -2.182) 21.728 4.108 ( -14.470 13.867 8.594) 21.806 4.608 ( 0.411 -2.063 3.569) 4.143 5.385 ( 0.392 2.429 -6.045) 6.527 5.775 ( -4.262 12.977 -6.960) 15.330 6.334 ( 5.943 -2.140 1.892) 6.594 6.593 ( 16.240 0.576 4.578) 16.883 6.691 ( 24.150 -0.616 -2.185) 24.257 9.909 ( -10.199 -6.728 1.910) 12.367 11.369 ( 13.291 -5.284 -0.852) 14.328 13.876 ( 1.054 -0.041 -0.995) 1.450 15.562 ( -11.738 0.587 -8.818) 14.693 16.157 ( -15.520 -2.252 -4.706) 16.374 17.926 ( -8.234 -0.099 -0.337) 8.242 ======================= Grid point 59 (60/306) ======================= q-point: ( 0.42 -0.22 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -23.034 5.331 2.234) 23.748 2.709 ( -3.192 3.953 2.406) 5.621 3.680 ( -49.816 2.183 -0.517) 49.866 4.693 ( -9.720 2.189 -4.937) 11.119 4.813 ( -18.933 -3.034 -0.606) 19.185 5.009 ( -10.426 -1.502 1.865) 10.697 5.720 ( -1.209 -2.415 2.423) 3.628 7.643 ( 3.914 14.182 -4.874) 15.499 7.853 ( 7.381 9.546 3.916) 12.686 9.015 ( -26.051 -3.465 2.265) 26.378 9.922 ( 23.643 -13.762 -1.734) 27.411 14.599 ( 22.140 1.530 0.233) 22.194 15.611 ( -0.137 -9.954 -3.610) 10.590 16.846 ( 3.586 2.885 2.445) 5.212 17.418 ( -21.879 -2.035 -0.063) 21.973 ======================= Grid point 60 (61/306) ======================= q-point: (-0.22 0.22 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 12.120 -24.047 -0.000) 26.929 2.527 ( 36.303 -1.586 -0.000) 36.338 4.491 ( 28.463 -1.560 -0.000) 28.506 4.669 ( -4.259 3.571 0.000) 5.558 5.100 ( 15.056 -16.640 -0.000) 22.440 5.569 ( 9.644 -4.155 -0.000) 10.501 5.576 ( 15.556 3.719 -0.000) 15.994 6.251 ( 1.213 1.588 0.000) 1.998 6.486 ( 3.858 -27.029 -0.000) 27.303 10.280 ( -18.138 8.383 0.000) 19.982 10.548 ( 17.846 14.843 0.000) 23.212 14.186 ( -13.487 -0.281 0.000) 13.490 16.290 ( -2.843 6.990 0.000) 7.546 16.551 ( -10.635 -0.584 0.000) 10.651 18.208 ( -1.804 11.389 0.000) 11.531 ======================= Grid point 61 (62/306) ======================= q-point: ( 0.15 -0.35 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -14.445 18.659 -2.617) 23.741 3.235 ( -31.832 0.856 -0.885) 31.855 4.554 ( 1.720 -1.319 0.972) 2.376 4.603 ( 9.391 19.194 -2.617) 21.528 5.494 ( -10.080 5.525 4.142) 12.218 5.870 ( -30.526 -0.493 0.740) 30.539 5.952 ( -6.103 -2.724 -8.757) 11.016 6.325 ( -10.945 -1.251 3.776) 11.645 6.545 ( -3.626 22.988 0.766) 23.285 9.950 ( 15.406 -10.917 -0.843) 18.900 10.902 ( -17.705 -12.285 0.419) 21.553 13.964 ( 7.319 -0.083 0.980) 7.384 15.984 ( 6.325 -2.235 13.348) 14.939 16.413 ( 16.641 -3.415 -6.026) 18.024 18.085 ( 6.725 -4.026 1.838) 8.050 ======================= Grid point 62 (63/306) ======================= q-point: (-0.49 0.09 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 11.597 -4.055 -3.378) 12.742 2.654 ( 40.774 -3.213 -2.600) 40.983 2.775 ( 8.269 -1.536 -0.961) 8.465 4.369 ( 13.220 0.532 1.920) 13.370 4.424 ( 18.352 0.423 0.721) 18.371 4.796 ( 8.200 0.955 2.170) 8.536 5.801 ( -1.610 2.032 -2.322) 3.480 7.530 ( 0.591 -33.816 11.037) 35.576 8.038 ( -0.072 20.187 -6.832) 21.312 8.757 ( 7.744 -2.555 -6.519) 10.440 10.272 ( -17.092 10.251 3.647) 20.261 15.090 ( -25.497 -2.839 -0.915) 25.671 15.524 ( -0.270 4.705 3.475) 5.855 16.867 ( 7.413 -0.140 -2.398) 7.793 16.940 ( 24.959 1.400 -0.525) 25.003 ======================= Grid point 63 (64/306) ======================= q-point: (-0.13 -0.47 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -13.812 -5.367 -0.081) 14.819 3.925 ( 9.918 -7.072 -4.745) 13.072 4.069 ( -1.844 -9.057 -0.583) 9.261 4.706 ( 0.023 1.208 -2.600) 2.867 5.310 ( -1.822 -4.241 1.454) 4.839 5.577 ( -1.530 -12.645 6.270) 14.197 6.441 ( -3.155 1.196 -0.712) 3.448 6.807 ( -4.650 2.115 0.291) 5.117 7.139 ( -16.028 -0.505 -1.321) 16.090 9.779 ( 6.102 7.437 -1.057) 9.678 11.569 ( -7.701 4.492 0.371) 8.923 13.962 ( -7.307 0.210 -0.177) 7.312 15.186 ( 15.156 -0.980 1.105) 15.228 15.806 ( 0.495 1.128 9.300) 9.381 17.810 ( 5.488 -0.675 -1.884) 5.842 ======================= Grid point 64 (65/306) ======================= q-point: ( 0.24 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -0.000 10.094 7.447) 12.544 1.125 ( 0.000 11.901 18.646) 22.121 2.202 ( -0.000 21.983 5.281) 22.608 3.928 ( -0.000 2.727 -2.905) 3.985 4.157 ( 0.000 -4.364 1.499) 4.615 4.896 ( -0.000 -3.923 -3.808) 5.467 5.807 ( -0.000 11.329 -14.779) 18.621 6.583 ( -0.000 15.746 -7.224) 17.324 7.416 ( -0.000 25.831 20.141) 32.755 9.310 ( 0.000 -27.805 1.265) 27.834 11.336 ( 0.000 -11.647 -8.321) 14.314 15.380 ( 0.000 1.502 1.698) 2.267 15.735 ( 0.000 0.568 16.947) 16.957 16.296 ( 0.000 -0.865 -0.798) 1.177 16.465 ( 0.000 -2.595 0.932) 2.758 ======================= Grid point 65 (66/306) ======================= q-point: (-0.40 0.40 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 4.434 -2.906 -0.000) 5.301 4.107 ( 6.827 0.323 -0.000) 6.835 4.596 ( 5.686 -3.834 -0.000) 6.858 5.330 ( -1.710 -19.350 -0.000) 19.425 5.907 ( 3.839 -1.029 -0.000) 3.974 5.940 ( 1.996 2.582 0.000) 3.264 6.415 ( 4.743 -11.135 -0.000) 12.103 7.267 ( 12.427 -7.159 -0.000) 14.342 7.467 ( -1.860 -18.088 -0.000) 18.183 8.748 ( -7.320 25.318 0.000) 26.354 10.998 ( 9.921 10.772 0.000) 14.644 13.946 ( 5.866 0.518 -0.000) 5.889 15.326 ( -21.152 0.202 0.000) 21.153 15.826 ( -3.248 4.545 0.000) 5.587 17.871 ( -2.562 -1.270 0.000) 2.860 ======================= Grid point 66 (67/306) ======================= q-point: (-0.04 -0.16 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -14.356 -0.000 -12.183) 18.829 1.238 ( -25.703 -0.000 -15.833) 30.188 2.502 ( -57.300 -0.000 -5.341) 57.548 4.564 ( -1.212 0.000 20.877) 20.912 4.638 ( -20.588 0.000 10.887) 23.289 4.707 ( -15.475 0.000 2.037) 15.609 5.509 ( 7.275 -0.000 -12.920) 14.827 5.690 ( -2.061 -0.000 -15.275) 15.413 6.422 ( 4.718 -0.000 -6.744) 8.231 10.298 ( -9.013 0.000 3.855) 9.803 11.060 ( 11.712 -0.000 -2.612) 11.999 14.808 ( 17.511 0.000 0.422) 17.516 16.201 ( 1.329 0.000 16.955) 17.007 16.809 ( -6.438 -0.000 -9.668) 11.615 18.722 ( -2.015 0.000 16.388) 16.511 ======================= Grid point 67 (68/306) ======================= q-point: ( 0.33 0.27 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 7.139 5.824 0.324) 9.219 3.306 ( 25.460 0.853 -0.280) 25.475 4.636 ( 6.226 3.307 3.353) 7.806 5.274 ( 7.197 9.305 -0.757) 11.788 5.487 ( 8.993 -2.857 -3.794) 10.171 5.736 ( 28.853 -3.552 -3.059) 29.231 6.000 ( 9.537 -6.627 5.737) 12.953 6.894 ( 5.561 29.462 2.612) 30.096 7.477 ( -8.277 23.408 -0.528) 24.834 9.221 ( -18.592 -23.927 -2.503) 30.404 10.364 ( 21.791 -13.750 1.587) 25.815 13.945 ( -8.676 0.443 -0.176) 8.689 15.468 ( 3.302 2.731 -7.048) 8.248 16.364 ( -24.218 -2.548 -0.367) 24.355 17.936 ( 3.120 -1.235 -0.087) 3.356 ======================= Grid point 68 (69/306) ======================= q-point: (-0.31 -0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -10.520 -9.366 -2.958) 14.392 2.796 ( -20.903 -2.423 -1.780) 21.118 4.322 ( -21.830 -3.386 -1.790) 22.163 4.913 ( -11.990 -3.638 -2.725) 12.822 5.133 ( -30.380 0.444 4.724) 30.748 5.312 ( -9.452 -6.639 2.931) 11.917 6.054 ( -2.490 7.497 -2.572) 8.307 6.185 ( -12.650 -20.807 2.337) 24.463 7.193 ( 14.560 -27.016 -4.755) 31.056 10.020 ( 17.845 19.267 0.931) 26.278 10.233 ( -19.718 14.487 -0.568) 24.474 14.177 ( 15.872 -1.310 -0.485) 15.933 15.380 ( -0.689 -1.636 12.264) 12.392 16.857 ( 17.684 4.103 -1.502) 18.216 17.877 ( -8.239 4.952 2.038) 9.826 ======================= Grid point 69 (70/306) ======================= q-point: ( 0.05 0.15 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 12.725 24.821 7.785) 28.959 1.855 ( 32.979 1.717 7.983) 33.975 3.612 ( 52.973 -0.929 0.518) 52.984 4.654 ( 0.916 9.878 -9.848) 13.979 4.832 ( 2.088 -6.323 -0.176) 6.661 5.063 ( 16.624 2.528 -9.511) 19.319 5.503 ( 14.652 -1.707 9.748) 17.681 5.987 ( 0.141 20.357 7.260) 21.613 6.321 ( -3.636 -1.372 2.588) 4.669 10.439 ( 12.761 -7.602 -2.964) 15.146 10.759 ( -14.948 -3.828 2.369) 15.611 14.470 ( -16.891 0.734 -0.797) 16.926 16.156 ( -1.628 -1.767 -18.206) 18.364 16.859 ( -1.336 -0.806 10.941) 11.052 18.474 ( -2.053 -15.684 -6.913) 17.263 ======================= Grid point 70 (71/306) ======================= q-point: ( 0.41 -0.41 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( -6.039 1.380 0.000) 6.195 3.800 ( -21.523 -0.743 0.000) 21.536 4.649 ( 1.653 4.844 0.000) 5.118 5.600 ( -5.063 11.722 0.000) 12.768 5.664 ( -6.613 -10.629 -0.000) 12.518 5.769 ( -8.602 -3.796 0.000) 9.402 6.410 ( -20.467 4.589 0.000) 20.975 7.461 ( -3.094 29.863 0.000) 30.022 7.700 ( -0.693 2.287 0.000) 2.390 8.476 ( 18.392 -25.231 -0.000) 31.223 10.553 ( -18.757 -3.618 0.000) 19.103 13.868 ( 0.047 -0.482 -0.000) 0.485 15.711 ( -1.816 -7.847 -0.000) 8.054 15.800 ( 25.531 -0.122 -0.000) 25.531 17.941 ( 1.682 0.397 -0.000) 1.729 ======================= Grid point 72 (72/306) ======================= q-point: ( 0.14 -0.54 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 0.660 3.034 -0.029) 3.105 4.028 ( -0.786 11.569 0.813) 11.624 4.341 ( -1.183 20.280 -2.092) 20.422 4.668 ( -2.620 0.397 -0.120) 2.653 5.469 ( 0.798 8.745 1.244) 8.869 5.886 ( 2.537 11.867 -1.368) 12.212 6.439 ( -0.331 -2.148 2.653) 3.429 6.841 ( 0.170 2.829 -1.856) 3.388 7.314 ( -0.112 0.958 0.582) 1.127 9.495 ( -0.388 -14.459 -0.009) 14.465 11.519 ( 0.033 -8.464 0.018) 8.464 14.052 ( -0.150 -0.502 0.155) 0.547 15.022 ( 1.046 1.151 0.390) 1.603 15.832 ( 3.851 -1.972 -1.405) 4.549 17.770 ( -0.660 1.695 0.743) 1.965 ======================= Grid point 73 (73/306) ======================= q-point: (-0.50 -0.10 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -27.574 -0.455 -2.133) 27.660 1.841 ( -13.084 4.360 -2.421) 14.002 2.801 ( 1.482 -1.267 1.256) 2.320 4.032 ( -12.282 -4.619 3.687) 13.630 4.181 ( -8.885 3.400 -2.791) 9.915 4.702 ( -3.822 2.438 -6.121) 7.617 5.814 ( 0.789 0.098 3.942) 4.021 7.192 ( -4.665 -42.994 12.647) 45.058 8.196 ( -2.185 31.730 -10.133) 33.381 8.840 ( 3.211 -2.763 -1.063) 4.367 10.464 ( 8.852 3.957 2.003) 9.901 15.463 ( 2.178 -2.724 -0.454) 3.517 15.677 ( 26.147 3.701 -0.159) 26.408 16.514 ( -17.310 1.288 -0.951) 17.384 16.644 ( -17.911 3.156 -0.472) 18.193 ======================= Grid point 74 (74/306) ======================= q-point: (-0.13 0.33 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 21.529 -13.254 3.021) 25.462 3.793 ( 23.673 -0.169 -1.191) 23.703 3.970 ( -15.753 -13.994 4.374) 21.521 4.538 ( -3.343 2.421 2.587) 4.872 5.507 ( -0.879 -1.716 -4.918) 5.283 5.872 ( -4.216 -9.482 -2.176) 10.603 6.311 ( 9.833 -1.467 -0.254) 9.945 6.492 ( 17.038 -1.009 4.544) 17.662 6.745 ( 22.976 1.415 -2.278) 23.132 9.875 ( -9.607 6.310 1.172) 11.553 11.384 ( 12.817 5.615 -0.514) 14.003 13.898 ( 0.371 0.175 -0.873) 0.964 15.732 ( -19.963 -0.105 -6.581) 21.020 16.209 ( -10.371 2.534 -0.495) 10.688 17.945 ( -9.578 0.425 -1.121) 9.653 ======================= Grid point 75 (75/306) ======================= q-point: ( 0.23 -0.23 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -32.319 5.332 0.000) 32.756 2.247 ( -6.553 18.923 0.000) 20.026 3.597 ( -51.687 1.108 0.000) 51.699 4.667 ( -1.870 -0.310 0.000) 1.896 4.895 ( -20.278 -1.169 0.000) 20.311 5.175 ( -14.284 -4.807 0.000) 15.071 5.770 ( 1.745 6.165 0.000) 6.407 6.491 ( 10.025 23.042 0.000) 25.129 6.972 ( -4.241 29.331 0.000) 29.636 9.812 ( -17.593 -23.634 -0.000) 29.463 10.485 ( 20.692 -10.363 -0.000) 23.142 14.527 ( 18.833 1.658 -0.000) 18.906 16.160 ( 1.868 -11.186 -0.000) 11.341 16.696 ( 1.537 1.851 0.000) 2.406 17.744 ( -20.055 -16.062 -0.000) 25.694 ======================= Grid point 76 (76/306) ======================= q-point: (-0.41 0.21 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 20.994 -5.679 0.578) 21.757 2.718 ( 16.675 -5.899 -4.249) 18.191 4.499 ( 26.196 -3.298 5.343) 26.937 4.755 ( 14.480 -3.369 -4.232) 15.458 5.249 ( 19.919 3.356 1.185) 20.235 5.397 ( 16.911 4.171 -1.622) 17.493 5.806 ( 1.308 3.301 -0.435) 3.577 6.880 ( -6.291 -35.034 1.803) 35.640 7.537 ( -2.265 -19.660 -2.168) 19.908 9.725 ( -10.822 18.375 2.936) 21.526 9.848 ( 12.818 17.140 -2.345) 21.530 14.199 ( -15.542 -0.628 0.148) 15.555 15.804 ( -0.284 8.867 7.733) 11.768 16.650 ( -13.095 0.041 -4.007) 13.695 17.834 ( 10.746 5.259 0.730) 11.986 ======================= Grid point 77 (77/306) ======================= q-point: (-0.04 -0.36 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -16.957 -0.000 -10.380) 19.882 3.233 ( -29.312 -0.000 -0.513) 29.317 4.220 ( 8.911 -0.000 -4.261) 9.878 4.621 ( -3.126 0.000 1.813) 3.614 5.326 ( -5.553 0.000 6.235) 8.349 5.702 ( 4.432 0.000 6.067) 7.513 5.937 ( -36.354 -0.000 -3.982) 36.572 6.295 ( -2.725 -0.000 -4.895) 5.603 6.380 ( -15.419 -0.000 -0.923) 15.447 10.212 ( 13.529 -0.000 -2.695) 13.794 11.127 ( -16.164 0.000 1.747) 16.258 13.933 ( 6.717 0.000 1.512) 6.885 15.691 ( 3.107 0.000 16.322) 16.615 16.566 ( 20.777 -0.000 -0.970) 20.800 18.112 ( 9.223 0.000 3.445) 9.846 ======================= Grid point 78 (78/306) ======================= q-point: ( 0.32 0.08 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 13.013 5.581 8.074) 16.300 2.549 ( 22.068 8.149 5.300) 24.114 2.730 ( 27.877 2.477 2.326) 28.084 4.373 ( 17.862 0.443 -3.419) 18.192 4.428 ( 12.529 -0.715 -1.998) 12.707 4.855 ( 8.902 -4.565 0.353) 10.010 5.840 ( 0.284 0.226 0.318) 0.483 6.804 ( 1.953 34.923 -14.654) 37.923 7.985 ( -10.680 20.793 12.634) 26.571 9.041 ( 13.465 -25.977 4.097) 29.545 10.529 ( -16.542 -14.046 -5.130) 22.299 15.016 ( -22.574 4.209 1.279) 22.999 15.633 ( -2.359 -5.798 -7.680) 9.908 16.885 ( 8.258 -1.550 4.507) 9.535 17.023 ( 25.827 -7.691 2.155) 27.034 ======================= Grid point 79 (79/306) ======================= q-point: (-0.32 -0.48 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -6.483 -5.028 0.182) 8.206 4.005 ( -9.636 -2.144 1.248) 9.950 4.727 ( 0.724 -1.596 -0.676) 1.879 4.960 ( 5.796 -18.820 -0.520) 19.699 5.744 ( -2.915 -11.912 -3.470) 12.744 5.935 ( 3.057 -10.699 4.429) 11.976 6.443 ( -2.722 5.644 -3.977) 7.422 6.912 ( -6.742 -18.201 2.675) 19.593 7.211 ( -13.249 -2.903 -0.416) 13.570 9.202 ( 5.918 22.080 0.058) 22.860 11.247 ( -8.086 10.904 -0.260) 13.578 13.949 ( -7.030 0.541 -0.076) 7.051 15.257 ( 18.292 -1.805 -0.898) 18.403 15.602 ( -6.517 -0.562 5.557) 8.583 17.879 ( 4.038 -0.799 -0.989) 4.233 ======================= Grid point 80 (80/306) ======================= q-point: ( 0.05 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.236 ( -0.000 13.243 0.000) 13.243 0.299 ( -0.000 14.903 0.000) 14.903 0.849 ( -0.000 41.064 0.000) 41.064 3.888 ( -0.000 0.932 0.000) 0.932 4.266 ( 0.000 -1.667 -0.000) 1.667 5.074 ( 0.000 -7.505 -0.000) 7.505 5.660 ( -0.000 21.743 0.000) 21.743 6.103 ( -0.000 2.527 0.000) 2.527 6.437 ( -0.000 4.320 0.000) 4.320 10.068 ( 0.000 -9.919 -0.000) 9.919 11.809 ( 0.000 -4.782 -0.000) 4.782 15.310 ( -0.000 2.706 0.000) 2.706 15.313 ( -0.000 0.647 0.000) 0.647 16.332 ( 0.000 -0.354 -0.000) 0.354 16.522 ( 0.000 -0.939 -0.000) 0.939 ======================= Grid point 81 (81/306) ======================= q-point: (-0.59 0.39 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 3.793 1.307 -0.032) 4.012 4.078 ( 9.290 1.295 -0.489) 9.393 4.750 ( 0.986 -1.164 -2.209) 2.685 5.528 ( 2.941 10.936 0.849) 11.357 5.839 ( 4.491 -0.817 1.476) 4.798 5.888 ( 0.881 -8.939 0.272) 8.987 6.750 ( 8.670 5.554 0.159) 10.298 7.612 ( 2.560 15.081 2.179) 15.451 7.685 ( -2.941 19.255 -1.017) 19.505 8.124 ( -3.089 -29.905 -1.592) 30.106 10.857 ( 9.336 -5.365 0.317) 10.772 13.936 ( 6.286 -0.061 -0.046) 6.286 15.313 ( -20.798 0.787 -0.368) 20.817 15.663 ( 3.987 2.747 -0.696) 4.891 17.899 ( -2.639 -0.019 0.251) 2.651 ======================= Grid point 82 (82/306) ======================= q-point: (-0.23 -0.17 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -14.018 -7.385 -12.707) 20.311 1.952 ( -8.938 -19.741 -13.612) 25.591 2.663 ( -46.764 -0.993 -6.201) 47.184 4.299 ( -19.102 -3.390 9.470) 21.588 4.532 ( -10.557 2.594 2.324) 11.117 4.849 ( -5.240 -17.836 14.045) 23.299 5.320 ( -12.972 1.158 -1.464) 13.106 6.335 ( 5.352 -0.196 1.888) 5.679 6.972 ( 12.600 -22.823 -17.886) 31.616 9.918 ( -10.166 14.833 2.489) 18.154 10.977 ( 14.231 7.595 0.485) 16.138 14.868 ( 19.419 -2.786 -1.161) 19.652 15.810 ( 5.782 2.700 13.388) 14.831 16.951 ( -9.320 1.475 -6.408) 11.406 17.674 ( -23.766 23.697 2.868) 33.683 ======================= Grid point 83 (83/306) ======================= q-point: ( 0.13 0.27 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 12.383 15.287 3.934) 20.063 3.254 ( 28.786 1.032 0.753) 28.815 4.536 ( 4.111 -0.850 -0.388) 4.216 4.682 ( -6.513 18.970 4.740) 20.610 5.398 ( 7.220 6.495 -4.915) 10.884 5.842 ( 28.048 -0.014 -1.833) 28.107 6.172 ( 2.780 -5.146 9.564) 11.211 6.232 ( 12.301 2.882 -2.861) 12.954 6.513 ( 4.306 20.634 -2.328) 21.207 9.975 ( -15.348 -12.092 1.351) 19.585 10.890 ( 18.049 -11.408 -0.648) 21.361 13.940 ( -7.259 0.303 -1.114) 7.351 15.683 ( -1.802 -0.514 -14.637) 14.756 16.491 ( -21.315 -3.426 1.379) 21.632 18.040 ( -4.486 -2.925 -2.082) 5.746 ======================= Grid point 84 (84/306) ======================= q-point: ( 0.50 -0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -20.577 0.313 -1.380) 20.626 2.832 ( -10.781 -0.421 3.025) 11.205 4.577 ( -28.731 -1.382 -7.304) 29.677 4.945 ( -18.622 4.855 0.816) 19.262 5.128 ( -19.022 -2.947 0.974) 19.273 5.190 ( -9.165 -2.658 6.549) 11.573 5.810 ( -6.082 4.982 -2.196) 8.163 7.365 ( -4.943 -27.255 1.357) 27.732 7.989 ( 10.124 4.498 -2.488) 11.354 9.266 ( 25.552 3.731 1.332) 25.857 9.663 ( -25.229 12.044 -0.700) 27.965 14.214 ( 17.177 -0.014 -0.035) 17.177 15.439 ( -1.498 -8.578 0.965) 8.761 16.715 ( 15.797 3.114 0.562) 16.111 17.754 ( -12.765 0.640 -0.049) 12.781 ======================= Grid point 85 (85/306) ======================= q-point: (-0.14 0.14 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 12.467 -27.890 -0.000) 30.550 1.765 ( 36.719 -1.213 -0.000) 36.739 3.606 ( 55.897 0.997 -0.000) 55.906 4.770 ( -3.605 -8.113 -0.000) 8.878 4.830 ( 1.275 7.047 0.000) 7.161 5.249 ( 12.784 -5.310 -0.000) 13.843 5.312 ( 14.344 2.106 -0.000) 14.498 5.893 ( 6.507 -20.943 -0.000) 21.931 6.301 ( -1.946 1.405 0.000) 2.400 10.475 ( 13.499 8.789 -0.000) 16.108 10.730 ( -16.117 2.592 0.000) 16.324 14.480 ( -16.668 -0.620 0.000) 16.680 16.443 ( -2.141 3.238 0.000) 3.882 16.655 ( -0.990 -0.398 0.000) 1.067 18.551 ( -3.431 17.548 0.000) 17.880 ======================= Grid point 86 (86/306) ======================= q-point: ( 0.22 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -10.508 8.838 -0.124) 13.731 3.803 ( -22.734 0.200 0.836) 22.750 4.510 ( 0.947 2.597 -2.458) 3.698 4.940 ( 5.252 26.170 -2.623) 26.820 5.707 ( -1.122 8.565 2.680) 9.044 5.971 ( -3.195 -3.525 -3.602) 5.968 6.231 ( -11.642 -4.260 1.237) 12.459 6.763 ( -24.674 4.665 0.641) 25.119 7.054 ( -0.377 23.315 1.349) 23.357 9.380 ( 12.301 -18.533 -0.088) 22.244 10.982 ( -15.812 -13.379 -0.161) 20.713 13.885 ( -0.131 -0.449 0.492) 0.679 15.739 ( 17.951 0.129 5.431) 18.755 16.025 ( 9.530 -6.292 -0.229) 11.422 17.930 ( 5.021 -0.065 0.335) 5.033 ======================= Grid point 88 (87/306) ======================= q-point: (-0.05 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -1.941 0.000 0.145) 1.946 3.472 ( 7.229 0.000 -0.154) 7.231 4.143 ( -2.163 0.000 1.200) 2.474 4.694 ( 2.586 0.000 0.365) 2.611 5.304 ( -1.764 -0.000 -1.451) 2.284 5.500 ( -3.343 -0.000 0.021) 3.343 6.484 ( 0.092 -0.000 -0.042) 0.101 6.871 ( 0.660 0.000 1.456) 1.598 7.297 ( 0.020 -0.000 -1.356) 1.356 9.785 ( 0.676 0.000 -0.001) 0.676 11.693 ( -0.256 -0.000 0.000) 0.256 14.063 ( 0.242 -0.000 -0.247) 0.346 14.997 ( -1.364 -0.000 -0.565) 1.476 15.875 ( -4.565 0.000 2.073) 5.014 17.733 ( 0.815 -0.000 -1.120) 1.385 ======================= Grid point 89 (88/306) ======================= q-point: ( 0.31 -0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -6.244 12.984 8.773) 16.869 1.635 ( -40.803 5.716 3.648) 41.362 2.537 ( -0.047 12.018 3.793) 12.602 4.121 ( -12.630 2.246 -2.568) 13.082 4.180 ( -11.074 -4.755 1.249) 12.116 4.864 ( -0.942 -0.700 -7.724) 7.813 5.817 ( 1.101 -4.626 3.041) 5.645 7.115 ( -1.076 33.150 -16.315) 36.963 7.863 ( 7.420 26.499 15.393) 31.531 8.750 ( -6.650 -33.182 3.975) 34.074 10.932 ( 11.867 -14.477 -5.264) 19.446 15.405 ( 13.137 5.763 -2.276) 14.525 15.708 ( -3.121 -7.047 3.579) 8.498 16.478 ( -18.065 -0.022 0.859) 18.085 16.565 ( -12.321 -0.829 3.810) 12.923 ======================= Grid point 90 (89/306) ======================= q-point: (-0.32 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 10.873 -9.083 -0.000) 14.168 3.812 ( 23.590 -0.063 -0.000) 23.590 4.483 ( -2.053 -2.262 -0.000) 3.055 4.910 ( -5.714 -27.813 -0.000) 28.394 5.740 ( -0.228 -8.295 -0.000) 8.298 5.927 ( 5.397 3.193 -0.000) 6.271 6.245 ( 12.528 5.568 -0.000) 13.710 6.771 ( 24.394 -4.201 -0.000) 24.754 7.068 ( -0.126 -23.796 -0.000) 23.796 9.379 ( -12.370 18.110 0.000) 21.931 10.981 ( 15.842 13.568 0.000) 20.858 13.891 ( -0.025 0.589 0.000) 0.590 15.805 ( -24.535 0.125 0.000) 24.536 16.014 ( -3.793 6.850 0.000) 7.830 17.935 ( -5.248 0.267 0.000) 5.254 ======================= Grid point 92 (90/306) ======================= q-point: ( 0.40 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 19.229 0.941 0.746) 19.266 2.883 ( 11.574 0.883 -1.222) 11.672 4.456 ( 23.545 1.841 3.183) 23.831 4.932 ( 26.350 -1.552 1.496) 26.438 5.149 ( 17.546 -0.559 -0.873) 17.577 5.335 ( 14.420 2.435 -5.631) 15.671 5.753 ( 0.647 -4.717 2.668) 5.458 7.407 ( 1.745 26.408 -2.551) 26.588 7.918 ( -8.344 -1.968 4.010) 9.465 9.305 ( -23.092 -5.937 -2.275) 23.952 9.642 ( 23.629 -11.209 1.254) 26.183 14.213 ( -16.978 0.290 0.074) 16.981 15.475 ( 1.746 3.163 -2.473) 4.379 16.722 ( -15.630 -1.976 0.106) 15.755 17.754 ( 12.684 -0.984 -0.089) 12.723 ======================= Grid point 93 (91/306) ======================= q-point: (-0.23 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -9.726 -11.586 -3.578) 15.544 3.262 ( -25.611 -1.116 0.052) 25.636 4.550 ( -8.147 -0.402 -1.855) 8.365 4.793 ( 1.732 -16.629 -5.280) 17.533 5.283 ( -6.982 -8.439 5.818) 12.402 5.792 ( -21.616 -2.167 2.887) 21.916 6.135 ( -12.063 -1.357 2.696) 12.435 6.401 ( -11.936 3.234 -3.781) 12.932 6.470 ( 4.364 -18.426 -2.995) 19.171 10.004 ( 15.351 13.704 -1.325) 20.620 10.877 ( -18.550 10.132 0.601) 21.145 13.923 ( 7.480 -0.558 0.321) 7.508 15.382 ( -2.411 -1.555 13.185) 13.494 16.480 ( 25.833 2.736 2.030) 26.056 18.006 ( 1.557 1.993 1.001) 2.720 ======================= Grid point 94 (92/306) ======================= q-point: ( 0.13 0.07 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 23.039 6.204 11.165) 26.343 1.720 ( 7.326 26.794 7.520) 28.778 2.540 ( 53.402 2.144 4.625) 53.645 4.464 ( 19.932 -1.050 -5.949) 20.828 4.570 ( 11.313 -3.994 -1.210) 12.059 5.046 ( 2.781 -2.813 -2.273) 4.562 5.417 ( 3.571 20.884 -11.818) 24.260 6.364 ( -4.737 1.896 -0.827) 5.169 6.562 ( -6.243 26.668 19.390) 33.558 9.957 ( 9.908 -17.505 -1.182) 20.149 10.991 ( -16.205 -4.617 -0.686) 16.864 14.861 ( -18.821 2.630 -0.224) 19.005 16.125 ( -0.923 -4.533 -15.836) 16.498 16.787 ( 6.392 -0.931 9.327) 11.345 17.702 ( 31.589 -31.973 -0.057) 44.946 ======================= Grid point 95 (93/306) ======================= q-point: ( 0.49 -0.49 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( -3.806 -1.354 0.000) 4.040 4.072 ( -8.692 -1.520 0.000) 8.824 4.723 ( -1.236 1.772 0.000) 2.161 5.538 ( -3.551 -12.005 -0.000) 12.519 5.858 ( -5.174 -0.936 0.000) 5.258 5.890 ( -0.164 11.673 0.000) 11.674 6.752 ( -8.366 -5.235 0.000) 9.869 7.646 ( -3.255 -11.117 -0.000) 11.584 7.666 ( 4.245 -24.509 -0.000) 24.874 8.105 ( 2.400 30.756 0.000) 30.850 10.860 ( -9.178 5.502 0.000) 10.701 13.935 ( -6.306 0.056 0.000) 6.306 15.308 ( 20.790 -0.705 -0.000) 20.802 15.656 ( -4.346 -3.787 -0.000) 5.764 17.902 ( 2.659 0.157 -0.000) 2.664 ======================= Grid point 96 (94/306) ======================= q-point: (-0.15 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -0.000 -7.171 -18.393) 19.741 0.748 ( -0.000 -15.717 -18.952) 24.622 1.046 ( -0.000 -24.749 -24.824) 35.053 3.853 ( 0.000 -0.973 3.207) 3.351 4.279 ( -0.000 1.612 -1.100) 1.952 4.802 ( 0.000 -25.204 36.809) 44.611 5.358 ( -0.000 19.072 -14.947) 24.231 6.364 ( 0.000 -9.552 4.861) 10.718 6.883 ( -0.000 6.048 -24.559) 25.293 10.043 ( -0.000 8.616 3.063) 9.144 11.463 ( 0.000 -7.892 11.133) 13.647 15.338 ( -0.000 -0.557 -2.359) 2.424 16.321 ( 0.000 0.327 1.033) 1.083 16.402 ( -0.000 43.782 -39.379) 58.886 16.553 ( -0.000 5.602 -6.756) 8.776 ======================= Grid point 97 (95/306) ======================= q-point: ( 0.22 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 6.577 4.949 -0.323) 8.237 4.038 ( 9.428 1.762 -1.695) 9.740 4.694 ( 0.887 3.608 2.518) 4.488 4.944 ( -5.423 20.821 1.142) 21.546 5.686 ( 1.955 13.197 1.623) 13.440 6.019 ( -2.282 3.345 -2.917) 4.991 6.359 ( 3.821 -1.583 3.030) 5.128 6.973 ( 4.764 16.089 -2.798) 17.011 7.200 ( 13.623 3.568 0.553) 14.093 9.203 ( -5.931 -21.346 0.003) 22.155 11.240 ( 8.360 -11.235 0.329) 14.008 13.948 ( 6.741 -0.412 -0.013) 6.753 15.252 ( -17.314 2.113 -0.583) 17.452 15.733 ( 1.104 -2.127 -6.122) 6.574 17.855 ( -3.912 1.353 1.068) 4.275 ======================= Grid point 98 (96/306) ======================= q-point: (-0.42 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -10.013 -0.902 -6.681) 12.071 2.665 ( -19.537 -5.826 -4.969) 20.984 2.747 ( -27.471 0.336 0.845) 27.486 4.283 ( -20.192 -3.865 4.925) 21.140 4.423 ( -9.868 1.563 -2.091) 10.208 4.919 ( -8.692 5.779 -5.335) 11.722 5.809 ( -3.014 -3.224 2.965) 5.317 6.498 ( -5.600 -35.552 13.924) 38.590 8.227 ( 12.352 -17.043 -9.830) 23.231 9.123 ( -12.847 22.214 -3.369) 25.881 10.422 ( 15.205 14.608 4.686) 21.600 15.057 ( 23.177 -3.679 -2.552) 23.606 15.486 ( 6.390 1.939 6.066) 9.022 16.957 ( -11.873 3.031 -2.533) 12.513 17.060 ( -19.933 8.488 -1.007) 21.689 ======================= Grid point 99 (97/306) ======================= q-point: (-0.06 0.26 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 20.760 0.000 7.256) 21.992 3.219 ( 32.364 0.000 0.682) 32.371 4.152 ( -14.666 0.000 2.072) 14.811 4.665 ( -4.201 -0.000 -1.973) 4.641 5.432 ( 11.161 -0.000 -3.360) 11.655 5.803 ( -0.890 -0.000 -3.295) 3.413 5.877 ( 32.688 0.000 0.853) 32.699 6.121 ( 12.364 0.000 8.120) 14.791 6.435 ( 11.579 -0.000 -2.704) 11.890 10.166 ( -13.406 0.000 1.575) 13.498 11.156 ( 15.634 -0.000 -0.983) 15.665 13.965 ( -6.907 -0.000 -1.320) 7.032 16.021 ( -8.814 -0.000 -14.325) 16.819 16.491 ( -14.714 0.000 6.028) 15.901 18.185 ( -12.674 -0.000 -2.923) 13.007 ======================= Grid point 100 (98/306) ======================= q-point: ( 0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -32.452 3.091 0.000) 32.598 2.653 ( -6.804 9.082 0.000) 11.348 4.580 ( -42.080 3.272 0.000) 42.207 4.690 ( 3.017 4.280 0.000) 5.237 5.265 ( -20.249 -3.253 0.000) 20.508 5.370 ( -15.948 -6.562 0.000) 17.245 5.803 ( -2.865 -1.447 0.000) 3.210 6.900 ( 8.628 35.297 0.000) 36.336 7.514 ( 0.137 19.066 0.000) 19.067 9.773 ( 23.472 -16.781 -0.000) 28.854 9.807 ( -25.514 -18.517 -0.000) 31.526 14.201 ( 15.415 0.451 -0.000) 15.421 15.896 ( 0.880 -12.017 -0.000) 12.049 16.598 ( 12.290 1.917 -0.000) 12.439 17.842 ( -10.773 -5.637 0.000) 12.158 ======================= Grid point 101 (99/306) ======================= q-point: (-0.33 0.13 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 29.121 -5.562 -4.353) 29.965 2.300 ( 6.995 -17.302 -4.861) 19.285 3.606 ( 50.019 -1.024 -0.696) 50.034 4.645 ( 3.231 1.186 1.650) 3.818 4.865 ( 20.653 0.197 2.819) 20.845 5.164 ( 13.754 3.355 0.820) 14.181 5.791 ( 1.206 -7.295 -1.618) 7.569 6.420 ( -6.452 -20.219 5.809) 22.004 7.067 ( -1.566 -29.076 -8.013) 30.200 9.817 ( 17.408 22.921 -0.444) 28.786 10.472 ( -20.152 11.032 1.167) 23.004 14.524 ( -19.011 -1.874 0.165) 19.104 15.985 ( -1.173 7.399 13.318) 15.280 16.814 ( -2.438 0.896 -8.287) 8.685 17.734 ( 18.906 15.244 1.045) 24.308 ======================= Grid point 104 (100/306) ======================= q-point: (-0.24 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( -1.705 -3.094 0.046) 3.533 4.060 ( -0.021 -7.856 -1.942) 8.093 4.271 ( 6.130 -24.115 3.811) 25.172 4.663 ( 5.623 -0.353 0.241) 5.640 5.507 ( -1.756 -8.483 -1.862) 8.861 5.846 ( -6.326 -9.939 1.843) 11.925 6.532 ( 0.372 -0.462 -5.600) 5.631 6.770 ( -0.257 -3.018 4.581) 5.491 7.332 ( 0.208 -0.218 -0.835) 0.888 9.495 ( 1.015 14.497 0.014) 14.532 11.520 ( -0.085 8.436 -0.029) 8.436 14.057 ( 0.406 0.629 -0.254) 0.791 15.035 ( -2.536 -0.852 -0.708) 2.767 15.786 ( -10.167 1.038 2.315) 10.479 17.793 ( 1.594 -1.218 -1.164) 2.319 ======================= Grid point 105 (101/306) ======================= q-point: ( 0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -16.272 12.197 0.000) 20.336 1.300 ( -46.188 8.702 0.000) 47.001 1.640 ( -9.592 29.198 0.000) 30.734 4.135 ( -18.399 -2.575 0.000) 18.578 4.333 ( -10.752 -3.324 0.000) 11.254 4.988 ( -1.446 -3.297 -0.000) 3.600 5.904 ( 15.911 10.015 -0.000) 18.800 6.189 ( -3.332 28.190 0.000) 28.386 6.509 ( 7.903 13.831 0.000) 15.930 9.822 ( -4.810 -19.425 -0.000) 20.011 11.357 ( 19.620 -1.753 -0.000) 19.698 15.217 ( 15.195 4.194 -0.000) 15.763 16.292 ( -29.861 -23.112 -0.000) 37.760 16.437 ( -9.307 0.250 0.000) 9.310 16.684 ( -45.863 -18.037 0.000) 49.282 ======================= Grid point 106 (102/306) ======================= q-point: (-0.51 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( 6.007 -1.420 0.036) 6.173 3.797 ( 21.121 0.560 0.222) 21.130 4.676 ( -0.232 -4.492 -2.289) 5.046 5.597 ( 3.119 -10.203 0.654) 10.689 5.650 ( 7.470 7.541 0.895) 10.652 5.777 ( 7.725 5.328 -0.722) 9.412 6.408 ( 21.439 -4.073 0.148) 21.823 7.459 ( 3.018 -27.851 0.047) 28.014 7.707 ( 0.584 -4.084 -0.547) 4.162 8.468 ( -18.300 24.543 0.814) 30.625 10.553 ( 18.736 3.968 -0.020) 19.151 13.867 ( -0.030 0.383 0.050) 0.387 15.685 ( 0.708 4.830 1.987) 5.270 15.814 ( -24.216 1.760 -0.914) 24.297 17.939 ( -1.638 -0.366 0.106) 1.682 ======================= Grid point 107 (103/306) ======================= q-point: (-0.15 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -12.535 -18.384 -12.817) 25.678 2.070 ( -24.928 -2.497 -11.349) 27.504 3.623 ( -46.041 0.972 -0.412) 46.053 4.388 ( -9.079 -13.980 14.416) 22.039 4.830 ( -8.122 5.672 0.138) 9.907 4.867 ( -18.945 -2.159 8.694) 20.956 5.681 ( -14.903 4.210 -6.476) 16.786 6.111 ( 5.431 -13.047 -3.410) 14.537 6.460 ( 9.311 -3.855 -10.653) 14.664 10.366 ( -13.305 6.091 3.660) 15.084 10.815 ( 14.339 5.486 -2.669) 15.583 14.456 ( 17.711 -0.981 0.199) 17.740 15.761 ( 2.756 0.905 18.342) 18.570 17.060 ( 1.418 1.086 -7.995) 8.192 18.279 ( -0.805 11.620 10.884) 15.941 ======================= Grid point 108 (104/306) ======================= q-point: ( 0.21 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 12.130 11.866 2.181) 17.109 2.724 ( 24.699 3.697 4.666) 25.406 4.345 ( 21.563 2.354 -3.478) 21.968 4.821 ( 13.912 1.113 5.053) 14.843 5.224 ( 25.460 1.960 -3.164) 25.730 5.383 ( 11.560 4.683 -3.608) 12.984 5.961 ( 4.534 -4.799 5.947) 8.885 6.249 ( 1.980 19.446 -3.455) 19.849 7.103 ( -7.044 27.802 3.424) 28.884 10.042 ( -18.284 -16.892 -1.028) 24.914 10.219 ( 19.338 -16.330 0.664) 25.319 14.176 ( -14.967 1.103 -0.342) 15.012 15.667 ( -0.133 -2.345 -14.238) 14.431 16.793 ( -14.759 -3.443 4.617) 15.843 17.928 ( 6.779 -7.051 -2.525) 10.102 ======================= Grid point 109 (105/306) ======================= q-point: (-0.43 -0.37 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -6.486 -5.394 -0.217) 8.439 3.293 ( -25.531 -0.641 0.720) 25.549 4.736 ( -3.099 -2.749 -5.713) 7.057 5.189 ( -4.811 -8.204 6.584) 11.567 5.437 ( -13.509 0.523 0.710) 13.538 5.695 ( -30.673 5.591 0.995) 31.194 6.103 ( -9.497 6.385 -3.675) 12.020 6.939 ( -9.526 -28.780 -1.484) 30.352 7.470 ( 13.205 -25.624 0.102) 28.827 9.176 ( 18.077 25.783 1.635) 31.531 10.394 ( -21.453 13.383 -1.074) 25.308 13.944 ( 8.981 -0.383 0.004) 8.989 15.348 ( -4.621 -6.523 4.040) 8.956 16.348 ( 25.397 1.930 0.850) 25.485 17.937 ( -3.729 1.102 -0.116) 3.890 ======================= Grid point 110 (106/306) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 15.045 0.000 -0.000) 15.045 1.049 ( 33.071 0.000 -0.000) 33.071 2.442 ( 60.300 0.000 -0.000) 60.300 4.706 ( 16.291 0.000 -0.000) 16.291 4.843 ( -6.773 -0.000 0.000) 6.773 4.849 ( 16.679 0.000 -0.000) 16.679 5.270 ( -2.127 -0.000 0.000) 2.127 5.471 ( 9.343 0.000 -0.000) 9.343 6.358 ( -2.147 -0.000 0.000) 2.147 10.342 ( 8.907 0.000 -0.000) 8.907 11.029 ( -11.950 -0.000 0.000) 11.950 14.815 ( -17.333 -0.000 0.000) 17.333 16.506 ( -1.257 -0.000 0.000) 1.257 16.592 ( 6.321 0.000 -0.000) 6.321 18.923 ( -7.503 -0.000 0.000) 7.503 ======================= Grid point 111 (107/306) ======================= q-point: ( 0.30 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( -4.468 2.959 0.144) 5.361 4.103 ( -7.794 -0.054 0.343) 7.801 4.628 ( -4.726 3.976 -2.910) 6.827 5.330 ( 1.883 18.386 0.098) 18.483 5.883 ( -4.455 0.205 1.953) 4.869 5.947 ( -0.942 -2.668 -0.647) 2.902 6.427 ( -4.660 12.214 -1.117) 13.120 7.265 ( -12.317 7.534 0.131) 14.439 7.456 ( 1.608 18.020 0.998) 18.119 8.746 ( 7.045 -25.471 0.190) 26.428 10.999 ( -9.812 -10.792 -0.154) 14.587 13.945 ( -5.959 -0.457 0.084) 5.977 15.320 ( 20.690 0.274 0.546) 20.699 15.813 ( 2.601 -4.408 1.324) 5.287 17.870 ( 2.650 1.341 0.089) 2.971 ======================= Grid point 112 (108/306) ======================= q-point: (-0.34 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -0.000 -5.093 -11.094) 12.208 1.523 ( -0.000 -5.418 -17.008) 17.850 2.379 ( 0.000 -17.482 -10.748) 20.521 3.841 ( 0.000 -3.116 5.069) 5.950 4.199 ( -0.000 3.955 -2.308) 4.579 4.842 ( -0.000 8.821 0.321) 8.827 5.409 ( 0.000 -32.450 21.033) 38.670 6.456 ( 0.000 -2.300 6.140) 6.556 7.810 ( 0.000 -23.743 -16.055) 28.662 9.331 ( -0.000 24.356 -0.438) 24.360 11.153 ( -0.000 11.135 7.850) 13.624 15.431 ( -0.000 -0.743 -2.933) 3.026 16.110 ( -0.000 8.227 -16.051) 18.037 16.272 ( 0.000 0.542 1.476) 1.573 16.495 ( -0.000 3.906 -1.932) 4.358 ======================= Grid point 114 (109/306) ======================= q-point: ( 0.39 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -12.672 8.928 3.417) 15.874 2.600 ( -28.324 5.048 2.147) 28.850 2.750 ( -21.986 2.713 1.034) 22.176 4.390 ( -17.924 -3.694 0.484) 18.307 4.455 ( -16.459 0.564 -2.376) 16.639 4.901 ( -2.398 1.395 -6.558) 7.120 5.708 ( -0.053 -3.618 5.624) 6.687 7.704 ( 2.385 7.451 -3.557) 8.595 7.977 ( 2.601 6.197 -2.416) 7.142 8.592 ( -13.995 3.181 8.180) 16.520 10.345 ( 18.364 -13.321 -2.770) 22.855 15.074 ( 25.131 3.328 0.491) 25.355 15.601 ( -1.351 -9.020 -3.247) 9.681 16.806 ( -7.459 3.328 2.813) 8.639 16.931 ( -25.246 -0.314 0.266) 25.249 ======================= Grid point 115 (110/306) ======================= q-point: (-0.25 0.25 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 15.211 -20.043 -0.000) 25.162 3.224 ( 33.059 -0.774 -0.000) 33.068 4.567 ( -5.536 2.363 0.000) 6.019 4.573 ( -9.310 -20.017 -0.000) 22.076 5.551 ( 12.462 -5.936 -0.000) 13.803 5.838 ( 10.056 3.067 -0.000) 10.513 5.884 ( 27.444 0.873 -0.000) 27.457 6.368 ( 11.281 2.967 -0.000) 11.665 6.552 ( 3.005 -24.816 -0.000) 24.997 9.941 ( -15.442 10.496 0.000) 18.671 10.907 ( 17.587 12.587 0.000) 21.627 13.975 ( -7.376 0.262 0.000) 7.380 16.226 ( -3.739 6.338 0.000) 7.359 16.250 ( -19.269 -0.137 0.000) 19.269 18.106 ( -7.495 4.522 0.000) 8.754 ======================= Grid point 116 (111/306) ======================= q-point: ( 0.12 -0.32 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -12.017 22.198 -3.582) 25.495 2.569 ( -34.148 1.869 -3.702) 34.399 4.420 ( -23.630 0.684 5.214) 24.208 4.716 ( 1.594 -0.140 -3.005) 3.404 5.090 ( -19.265 14.373 0.694) 24.046 5.420 ( -15.528 1.378 6.461) 16.875 5.775 ( -11.487 -0.828 -10.494) 15.581 6.220 ( -0.487 -1.294 2.775) 3.100 6.502 ( -0.994 26.500 -1.591) 26.567 10.286 ( 17.655 -8.717 -0.543) 19.697 10.542 ( -17.671 -14.597 0.546) 22.927 14.175 ( 13.622 0.485 0.884) 13.660 16.061 ( 2.427 -3.800 15.748) 16.381 16.705 ( 11.302 -2.056 -8.854) 14.504 18.172 ( 1.260 -10.458 3.226) 11.017 ======================= Grid point 117 (112/306) ======================= q-point: (-0.52 0.12 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 21.333 -2.677 -2.117) 21.604 2.766 ( 2.363 -3.151 -2.309) 4.565 3.669 ( 48.253 -0.954 0.333) 48.263 4.603 ( 10.247 -0.641 2.365) 10.536 4.803 ( 19.074 0.656 0.820) 19.103 5.035 ( 15.581 1.604 -0.787) 15.683 5.766 ( -1.882 2.354 -1.383) 3.316 7.513 ( -1.890 -27.599 6.917) 28.515 7.961 ( -6.509 4.057 -6.003) 9.739 9.074 ( 22.373 4.840 -3.054) 23.093 9.873 ( -22.504 11.394 2.727) 25.371 14.606 ( -22.508 -1.203 -0.399) 22.543 15.525 ( 0.340 4.021 4.014) 5.692 16.900 ( -4.211 -0.005 -2.160) 4.733 17.416 ( 21.408 1.986 0.083) 21.500 ======================= Grid point 118 (113/306) ======================= q-point: (-0.16 -0.44 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -13.433 -7.735 -3.301) 15.848 3.705 ( -19.701 -0.558 2.414) 19.856 4.328 ( 13.654 -12.720 -11.820) 22.089 4.675 ( -3.121 1.706 -2.553) 4.378 5.266 ( -2.859 -3.333 4.998) 6.653 5.590 ( 3.264 -14.473 10.073) 17.933 6.356 ( -5.032 1.116 0.306) 5.163 6.672 ( -8.617 2.743 -2.436) 9.366 6.686 ( -28.358 -0.978 -2.398) 28.476 9.951 ( 10.983 7.298 -1.929) 13.327 11.350 ( -13.932 4.802 0.878) 14.762 13.861 ( -1.666 -0.027 0.375) 1.708 15.379 ( 1.990 -1.160 7.923) 8.252 16.017 ( 21.499 1.420 7.909) 22.952 17.935 ( 6.370 0.039 -1.110) 6.466 ======================= Grid point 120 (114/306) ======================= q-point: (-0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( -0.504 -2.424 -0.000) 2.476 4.139 ( -1.984 -1.210 0.000) 2.324 4.708 ( 3.840 -1.599 -0.000) 4.159 5.302 ( -0.954 -18.088 -0.000) 18.113 5.935 ( -2.417 0.839 0.000) 2.558 5.992 ( 4.833 -1.693 -0.000) 5.120 6.484 ( 2.507 -12.342 -0.000) 12.594 7.400 ( 0.794 -4.765 -0.000) 4.830 7.412 ( -3.809 -19.238 -0.000) 19.612 8.666 ( -1.182 26.494 0.000) 26.520 11.105 ( 0.829 10.412 0.000) 10.445 14.032 ( 0.081 0.576 0.000) 0.581 15.070 ( -1.314 -0.529 0.000) 1.417 15.732 ( -6.197 0.668 0.000) 6.233 17.853 ( 0.915 -1.066 -0.000) 1.404 ======================= Grid point 121 (115/306) ======================= q-point: (-0.07 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -11.482 -0.000 -13.006) 17.349 0.846 ( -14.746 -0.000 -25.165) 29.167 1.392 ( -51.172 -0.000 -15.245) 53.395 4.200 ( -23.745 0.000 14.759) 27.958 4.417 ( -11.619 -0.000 -0.550) 11.632 4.518 ( -2.547 0.000 27.268) 27.387 5.663 ( -0.735 -0.000 -20.616) 20.629 5.842 ( 26.843 -0.000 -10.629) 28.871 6.555 ( 12.020 -0.000 -18.454) 22.024 10.163 ( -4.483 0.000 4.146) 6.107 11.244 ( 6.464 -0.000 -2.398) 6.895 15.133 ( 14.364 -0.000 -0.618) 14.377 16.234 ( 2.434 0.000 10.603) 10.879 16.648 ( -8.328 -0.000 -5.500) 9.980 18.397 ( -38.936 0.000 35.589) 52.750 ======================= Grid point 122 (116/306) ======================= q-point: ( 0.29 0.31 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 6.769 4.699 -0.098) 8.241 3.769 ( 19.887 1.027 -0.843) 19.931 4.719 ( 2.750 2.891 2.496) 4.706 5.311 ( -0.804 11.220 -2.694) 11.567 5.679 ( 9.027 -0.729 -0.838) 9.096 6.011 ( 3.602 -8.987 2.646) 10.037 6.331 ( 15.280 7.570 2.074) 17.178 7.035 ( 10.239 21.199 3.028) 23.736 7.382 ( -1.502 21.707 -3.289) 22.006 8.904 ( -12.761 -26.497 -1.690) 29.458 10.755 ( 16.824 -11.887 1.069) 20.627 13.862 ( 0.328 0.021 -0.258) 0.418 15.530 ( 1.076 3.507 -4.238) 5.605 15.864 ( -23.322 -2.734 -2.317) 23.595 17.939 ( -2.140 0.137 0.496) 2.201 ======================= Grid point 123 (117/306) ======================= q-point: (-0.34 -0.26 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -17.465 -4.113 -6.315) 19.022 2.560 ( -4.736 -8.756 -3.687) 10.616 3.648 ( -43.062 -1.139 -2.350) 43.141 4.625 ( -22.316 -4.458 7.278) 23.892 4.673 ( -11.160 2.835 -3.344) 11.990 5.126 ( -8.878 -7.540 1.058) 11.695 5.817 ( -18.029 -14.376 1.242) 23.093 6.124 ( 3.032 -2.946 6.212) 7.515 7.494 ( 15.098 -25.934 -9.511) 31.480 9.840 ( -17.352 17.966 -0.451) 24.982 10.398 ( 17.768 15.788 1.825) 23.838 14.549 ( 20.992 -2.317 -1.840) 21.200 15.402 ( 3.211 -0.433 11.768) 12.206 17.089 ( 4.767 4.240 -3.884) 7.469 17.637 ( -15.650 9.469 3.044) 18.543 ======================= Grid point 125 (118/306) ======================= q-point: ( 0.38 -0.38 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -6.521 2.220 0.000) 6.889 3.283 ( -29.160 0.637 0.000) 29.166 4.715 ( 4.315 5.405 0.000) 6.916 5.355 ( -22.428 8.673 0.000) 24.046 5.483 ( -13.365 -10.368 -0.000) 16.915 5.546 ( -13.694 -5.290 0.000) 14.680 5.983 ( -17.091 2.499 0.000) 17.272 7.465 ( 3.635 32.120 0.000) 32.325 7.688 ( -0.422 -0.749 -0.000) 0.860 8.914 ( 24.768 -20.059 -0.000) 31.872 10.109 ( -25.391 -3.567 0.000) 25.640 13.955 ( 8.776 -0.321 -0.000) 8.782 15.675 ( -1.520 -10.389 -0.000) 10.500 16.283 ( 21.971 1.067 -0.000) 21.997 17.928 ( -3.741 -0.797 0.000) 3.825 ======================= Grid point 127 (119/306) ======================= q-point: ( 0.11 -0.51 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -10.906 6.315 0.363) 12.608 4.030 ( -3.374 4.477 1.302) 5.755 4.323 ( 1.789 23.934 -4.672) 24.451 4.621 ( -1.468 1.551 -4.685) 5.149 5.480 ( 0.332 7.691 2.837) 8.204 5.948 ( 3.606 10.704 2.024) 11.475 6.392 ( -4.329 -2.570 2.000) 5.417 6.796 ( -4.603 4.579 -1.372) 6.636 7.149 ( -16.160 1.160 0.373) 16.206 9.545 ( 5.413 -14.094 -0.688) 15.113 11.441 ( -7.821 -8.925 0.104) 11.867 13.958 ( -6.530 -0.334 0.230) 6.543 15.252 ( 18.290 1.166 2.465) 18.492 15.912 ( 4.806 -3.091 4.592) 7.331 17.809 ( 4.394 1.395 -0.236) 4.616 ======================= Grid point 128 (120/306) ======================= q-point: (-0.53 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -0.000 1.728 -2.692) 3.199 1.809 ( -0.000 2.934 -2.835) 4.080 2.818 ( 0.000 -1.188 1.214) 1.699 3.903 ( 0.000 -4.994 3.995) 6.395 4.088 ( -0.000 4.316 -3.069) 5.296 4.664 ( -0.000 2.004 -6.504) 6.806 5.822 ( 0.000 -0.440 4.195) 4.218 7.141 ( 0.000 -43.033 13.172) 45.004 8.171 ( -0.000 33.017 -9.906) 34.471 8.883 ( 0.000 -3.852 -1.066) 3.997 10.553 ( -0.000 3.686 1.940) 4.165 15.478 ( -0.000 0.692 -0.689) 0.977 16.162 ( -0.000 3.752 -2.304) 4.403 16.242 ( 0.000 -0.325 0.374) 0.495 16.337 ( -0.000 2.012 -0.298) 2.034 ======================= Grid point 129 (121/306) ======================= q-point: (-0.16 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 19.993 -7.255 0.244) 21.270 3.671 ( -11.543 -17.109 3.888) 21.002 4.117 ( 6.685 -0.416 -0.499) 6.717 4.540 ( 4.815 1.188 3.102) 5.849 5.459 ( -3.359 -2.740 -3.539) 5.596 5.766 ( -6.440 -9.994 -1.986) 12.054 6.450 ( 4.594 -1.579 -1.235) 5.012 6.715 ( 7.093 1.823 3.376) 8.064 7.169 ( 16.090 0.399 -1.592) 16.173 9.737 ( -4.127 6.922 0.654) 8.086 11.584 ( 6.882 4.900 -0.234) 8.452 13.971 ( 6.164 0.233 -0.368) 6.179 15.298 ( -21.019 -0.223 -2.614) 21.182 16.018 ( -9.879 1.627 -0.925) 10.054 17.799 ( -4.479 -0.538 -0.958) 4.612 ======================= Grid point 130 (122/306) ======================= q-point: ( 0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -23.860 10.047 0.000) 25.889 2.127 ( -7.756 19.736 0.000) 21.205 2.556 ( -49.587 4.176 0.000) 49.762 4.484 ( -20.384 -1.469 0.000) 20.436 4.516 ( -12.700 -2.914 0.000) 13.030 4.990 ( -4.124 -2.107 0.000) 4.631 5.827 ( 3.985 0.663 -0.000) 4.040 6.716 ( 12.266 27.949 0.000) 30.522 6.873 ( -5.343 30.581 0.000) 31.045 9.518 ( -11.705 -26.800 -0.000) 29.245 10.882 ( 19.094 -8.622 -0.000) 20.950 14.925 ( 20.629 3.437 -0.000) 20.914 16.172 ( -2.096 -13.536 -0.000) 13.698 16.637 ( -6.992 1.954 0.000) 7.260 17.174 ( -36.474 -17.032 0.000) 40.255 ======================= Grid point 131 (123/306) ======================= q-point: (-0.44 0.24 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 7.966 -6.908 -0.159) 10.545 3.278 ( 29.616 -1.060 -1.039) 29.654 4.604 ( -1.167 -4.077 0.754) 4.307 5.205 ( 15.462 -9.278 -1.859) 18.128 5.606 ( 12.998 5.834 2.211) 14.418 5.753 ( 14.135 7.224 -4.939) 16.625 5.901 ( 14.649 -2.354 2.575) 15.059 6.812 ( 0.786 -31.099 -0.712) 31.117 7.501 ( -1.360 -18.390 0.377) 18.444 9.313 ( -20.396 20.523 1.275) 28.963 10.309 ( 23.177 14.347 -0.715) 27.268 13.959 ( -8.327 0.169 0.300) 8.334 15.800 ( -0.274 7.102 6.716) 9.779 16.305 ( -20.900 1.208 -2.802) 21.121 17.952 ( 1.744 2.092 0.473) 2.765 ======================= Grid point 132 (124/306) ======================= q-point: (-0.07 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -15.039 -0.000 -14.175) 20.666 2.624 ( -30.836 -0.000 -4.628) 31.181 4.309 ( 0.089 0.000 5.380) 5.381 4.397 ( -24.188 0.000 5.879) 24.892 5.123 ( -13.668 -0.000 -0.251) 13.671 5.277 ( -25.602 0.000 2.136) 25.690 5.804 ( 5.615 -0.000 -0.588) 5.646 6.049 ( -16.599 -0.000 -5.980) 17.644 6.318 ( 4.092 -0.000 -4.696) 6.229 10.484 ( 11.560 -0.000 -1.884) 11.712 10.816 ( -12.721 0.000 1.659) 12.829 14.136 ( 13.316 0.000 1.239) 13.374 15.730 ( 1.510 0.000 19.252) 19.311 16.922 ( 13.507 -0.000 -5.875) 14.729 18.283 ( 7.775 0.000 8.172) 11.280 ======================= Grid point 133 (125/306) ======================= q-point: ( 0.29 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 22.635 4.178 4.599) 23.472 2.653 ( 3.672 8.395 3.970) 9.986 3.645 ( 47.285 1.331 0.463) 47.306 4.597 ( 8.373 -0.278 -0.977) 8.435 4.800 ( 20.957 0.762 -3.416) 21.247 5.097 ( 14.698 -3.940 1.157) 15.261 5.839 ( -0.371 -3.968 1.614) 4.300 6.831 ( 0.556 36.059 -9.589) 37.317 7.776 ( -9.882 20.928 9.088) 24.864 9.382 ( 20.169 -22.519 2.712) 30.352 10.156 ( -20.398 -15.262 -3.539) 25.720 14.571 ( -21.171 2.163 0.645) 21.291 15.608 ( -0.491 -4.169 -9.834) 10.692 16.924 ( -4.011 -2.277 4.764) 6.631 17.501 ( 20.527 -6.913 -0.554) 21.667 ======================= Grid point 134 (126/306) ======================= q-point: (-0.35 -0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -7.885 -7.034 -0.108) 10.566 3.720 ( -18.953 -1.815 0.891) 19.061 4.725 ( -0.941 -1.754 -2.118) 2.907 5.043 ( 2.154 -10.793 0.963) 11.047 5.609 ( -9.367 -7.640 -0.765) 12.112 6.034 ( 1.451 -13.723 1.524) 13.883 6.359 ( -5.676 6.747 -4.654) 9.970 6.724 ( -12.996 -15.938 2.384) 20.703 6.913 ( -11.086 -13.156 0.483) 17.211 9.378 ( 11.651 22.552 0.137) 25.384 11.010 ( -15.330 11.365 -0.443) 19.088 13.858 ( -0.862 0.034 0.052) 0.864 15.362 ( -6.663 -4.293 3.482) 8.657 15.831 ( 26.899 0.792 3.517) 27.140 17.954 ( 2.782 0.201 -0.744) 2.886 ======================= Grid point 136 (127/306) ======================= q-point: ( 0.38 -0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 0.124 0.892 0.008) 0.900 4.170 ( 0.550 0.462 -1.076) 1.294 4.754 ( -1.236 0.980 -1.916) 2.482 5.577 ( 1.961 10.614 1.630) 10.916 5.852 ( -2.311 -7.766 0.656) 8.129 5.910 ( 0.687 -1.418 0.690) 1.720 6.812 ( -1.450 11.179 -0.454) 11.282 7.606 ( -2.295 16.936 -0.380) 17.095 7.682 ( 1.974 7.916 1.014) 8.221 8.128 ( 1.781 -26.812 -0.612) 26.878 10.947 ( -0.351 -4.565 0.102) 4.580 14.024 ( -0.009 -0.196 -0.033) 0.199 15.081 ( 0.347 0.274 -0.247) 0.507 15.722 ( 1.718 -0.433 -0.015) 1.772 17.866 ( -0.251 0.481 0.172) 0.569 ======================= Grid point 137 (128/306) ======================= q-point: (-0.26 -0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -10.966 -6.035 -16.655) 20.835 1.582 ( -28.175 -10.267 -10.663) 31.827 2.046 ( -9.478 -16.041 -17.493) 25.556 3.947 ( -14.574 -1.784 7.185) 16.347 4.347 ( -7.406 2.052 0.329) 7.692 4.729 ( -6.103 -28.749 24.030) 37.963 5.166 ( -2.955 11.340 -1.481) 11.812 6.422 ( 3.183 -0.808 1.684) 3.691 7.240 ( 13.097 -19.820 -17.484) 29.496 9.771 ( -4.592 15.327 3.009) 16.281 11.216 ( 9.314 5.960 2.977) 11.451 15.226 ( 15.668 -2.576 -2.459) 16.067 15.986 ( 12.471 3.729 4.863) 13.896 16.694 ( -15.291 3.251 -3.300) 15.977 17.051 ( -36.095 22.277 -7.418) 43.059 ======================= Grid point 138 (129/306) ======================= q-point: ( 0.10 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 13.614 11.509 1.486) 17.889 3.765 ( 21.300 0.600 -1.894) 21.392 4.470 ( -9.754 17.204 6.052) 20.682 4.608 ( 0.084 6.797 5.016) 8.447 5.474 ( 1.391 6.681 -4.597) 8.228 6.022 ( -2.885 8.320 -2.661) 9.200 6.273 ( 7.126 -3.797 0.585) 8.096 6.664 ( 8.809 7.767 -0.439) 11.752 6.699 ( 27.214 3.231 0.342) 27.407 9.710 ( -10.981 -13.377 1.187) 17.348 11.217 ( 14.266 -9.914 -0.301) 17.375 13.875 ( 0.809 -0.100 -0.834) 1.167 15.579 ( -10.843 1.086 -8.045) 13.546 16.094 ( -15.606 -4.077 -3.908) 16.596 17.924 ( -6.493 -0.008 -0.091) 6.493 ======================= Grid point 139 (130/306) ======================= q-point: ( 0.47 -0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -19.867 3.745 0.003) 20.217 2.737 ( -2.451 -0.962 2.323) 3.512 3.717 ( -49.057 1.425 -1.793) 49.110 4.719 ( -20.000 -2.270 -0.336) 20.131 4.727 ( -12.500 -2.631 -3.958) 13.373 5.036 ( -5.556 3.906 1.603) 6.978 5.722 ( -3.057 2.878 2.292) 4.784 7.255 ( -6.248 -35.465 3.790) 36.210 8.208 ( 11.260 9.776 -4.040) 15.449 9.165 ( -21.893 14.247 -0.852) 26.134 9.773 ( 23.081 1.858 1.327) 23.194 14.620 ( 23.219 0.568 -0.181) 23.227 15.430 ( 0.493 -8.239 0.526) 8.270 16.923 ( 4.732 4.775 0.556) 6.745 17.415 ( -20.846 1.581 -0.049) 20.906 ======================= Grid point 140 (131/306) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 16.050 -23.216 -0.000) 28.224 2.505 ( 37.023 -0.624 -0.000) 37.028 4.458 ( 4.992 -1.828 -0.000) 5.317 4.770 ( -5.685 5.909 0.000) 8.200 4.804 ( 32.389 -10.595 -0.000) 34.078 5.545 ( 14.404 0.087 -0.000) 14.405 5.635 ( 15.958 2.287 -0.000) 16.121 6.011 ( 5.372 -19.572 -0.000) 20.296 6.299 ( 2.573 2.227 0.000) 3.402 10.402 ( -16.350 4.061 0.000) 16.847 10.774 ( 16.188 7.806 -0.000) 17.972 14.182 ( -12.928 -0.139 0.000) 12.929 16.393 ( -2.954 3.447 0.000) 4.540 16.544 ( -10.305 -0.224 0.000) 10.307 18.410 ( -9.875 8.048 0.000) 12.739 ======================= Grid point 141 (132/306) ======================= q-point: ( 0.19 -0.39 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -10.571 12.726 -0.852) 16.566 3.255 ( -30.944 1.154 -1.001) 30.982 4.548 ( 1.811 1.357 0.629) 2.349 4.972 ( -4.764 15.432 -2.061) 16.282 5.632 ( -8.080 5.341 3.880) 10.434 5.844 ( -27.005 -1.820 0.470) 27.070 5.889 ( -4.280 -2.783 -7.023) 8.682 6.374 ( -10.425 10.491 1.329) 14.849 7.048 ( -0.091 25.740 1.299) 25.773 9.681 ( 17.579 -16.301 0.140) 23.975 10.619 ( -20.156 -15.807 -0.229) 25.616 13.962 ( 7.786 -0.129 0.641) 7.813 15.918 ( 3.259 -4.626 10.919) 12.299 16.347 ( 18.911 -2.965 -4.967) 19.776 18.008 ( 1.956 -3.492 1.027) 4.132 ======================= Grid point 143 (133/306) ======================= q-point: (-0.08 -0.52 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -15.524 -0.000 -0.498) 15.532 3.821 ( 21.360 -0.000 -9.257) 23.280 4.010 ( -11.066 0.000 3.392) 11.574 4.724 ( 0.244 -0.000 -2.570) 2.581 5.271 ( -1.482 0.000 1.748) 2.292 5.437 ( -2.637 0.000 6.425) 6.945 6.453 ( -3.120 -0.000 0.061) 3.121 6.831 ( -4.457 -0.000 -0.112) 4.458 7.134 ( -16.109 -0.000 -1.553) 16.184 9.853 ( 6.094 -0.000 -1.193) 6.210 11.614 ( -7.614 0.000 0.491) 7.630 13.964 ( -7.399 -0.000 -0.215) 7.403 15.176 ( 14.905 0.000 1.197) 14.953 15.817 ( 0.695 0.000 9.748) 9.773 17.803 ( 5.746 -0.000 -2.019) 6.090 ======================= Grid point 144 (134/306) ======================= q-point: ( 0.28 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -0.000 9.005 3.724) 9.745 1.379 ( -0.000 13.297 10.890) 17.187 2.541 ( -0.000 12.585 3.724) 13.124 3.987 ( -0.000 3.102 -2.650) 4.080 4.062 ( 0.000 -5.011 1.848) 5.341 4.855 ( -0.000 -0.604 -8.687) 8.708 5.830 ( 0.000 -4.956 2.721) 5.654 7.100 ( -0.000 32.403 -16.320) 36.281 7.947 ( -0.000 25.675 15.317) 29.897 8.686 ( 0.000 -33.917 4.395) 34.201 11.059 ( 0.000 -15.766 -6.552) 17.073 15.413 ( -0.000 1.811 1.126) 2.132 15.815 ( 0.000 6.700 8.858) 11.106 16.277 ( 0.000 -1.022 -0.557) 1.164 16.412 ( 0.000 -2.595 0.105) 2.597 ======================= Grid point 145 (135/306) ======================= q-point: (-0.36 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 6.713 -4.667 -0.000) 8.176 4.111 ( 5.535 0.142 -0.000) 5.537 4.529 ( 7.209 -2.655 -0.000) 7.683 4.812 ( -2.602 -32.402 -0.000) 32.506 5.735 ( 0.015 -10.543 -0.000) 10.543 5.978 ( -0.112 0.736 0.000) 0.744 6.421 ( 6.003 7.078 0.000) 9.281 7.053 ( -1.585 -22.124 -0.000) 22.181 7.190 ( 15.436 -1.762 -0.000) 15.536 9.197 ( -5.895 19.864 0.000) 20.721 11.230 ( 8.865 11.899 0.000) 14.838 13.957 ( 5.833 0.578 -0.000) 5.862 15.328 ( -21.548 0.058 0.000) 21.548 15.912 ( -6.687 4.007 0.000) 7.795 17.845 ( -3.039 -1.257 0.000) 3.289 ======================= Grid point 147 (136/306) ======================= q-point: ( 0.37 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 6.663 1.961 0.066) 6.946 3.317 ( 25.644 0.242 -0.489) 25.649 4.685 ( 5.412 1.088 2.316) 5.987 5.429 ( 10.029 -1.610 -1.527) 10.272 5.444 ( 13.971 6.884 0.087) 15.575 5.642 ( 14.547 -4.666 -5.636) 16.283 5.904 ( 20.756 -3.157 5.275) 21.647 7.445 ( 2.208 22.375 0.477) 22.488 7.784 ( -4.763 3.853 2.038) 6.456 8.812 ( -24.254 -12.680 -2.992) 27.531 10.140 ( 24.163 -7.435 1.126) 25.306 13.952 ( -8.967 0.212 -0.088) 8.970 15.526 ( 3.314 3.030 -2.326) 5.057 16.326 ( -23.522 -1.200 -0.241) 23.553 17.919 ( 4.189 -0.401 0.058) 4.208 ======================= Grid point 148 (137/306) ======================= q-point: (-0.27 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -9.086 -12.687 -6.132) 16.766 2.754 ( -23.819 -1.782 -3.055) 24.081 4.266 ( -22.030 -2.293 -0.362) 22.151 4.751 ( -6.395 -14.766 1.991) 16.214 5.092 ( -13.128 -9.424 4.684) 16.826 5.168 ( -31.183 3.097 -0.084) 31.336 5.991 ( -10.098 -0.819 3.975) 10.883 6.168 ( -5.822 0.664 -2.383) 6.326 6.703 ( 14.907 -19.640 -8.073) 25.945 10.326 ( 15.331 11.380 -1.216) 19.132 10.502 ( -17.260 12.447 1.223) 21.315 14.151 ( 15.081 -1.205 -0.507) 15.137 15.354 ( 0.043 -1.020 15.193) 15.227 16.933 ( 18.295 3.392 -1.711) 18.686 17.983 ( -4.032 5.430 4.106) 7.912 ======================= Grid point 149 (138/306) ======================= q-point: ( 0.10 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 18.391 16.807 2.413) 25.030 1.948 ( 22.499 11.726 9.615) 27.132 3.599 ( 50.989 -0.242 0.659) 50.993 4.702 ( 3.405 -4.426 -0.732) 5.632 4.836 ( 13.980 4.304 -4.996) 15.457 5.160 ( 9.380 5.074 -7.341) 12.946 5.548 ( 9.761 9.212 4.634) 14.199 6.267 ( -4.358 0.840 -1.622) 4.725 6.500 ( -0.931 26.609 9.335) 28.214 10.206 ( 14.860 -15.963 -1.117) 21.838 10.651 ( -17.830 -7.151 0.420) 19.215 14.491 ( -17.715 1.400 -0.525) 17.778 16.099 ( -1.604 -4.176 -16.690) 17.279 16.838 ( -1.867 -1.281 10.190) 10.439 18.097 ( 10.111 -20.404 -3.452) 23.031 ======================= Grid point 150 (139/306) ======================= q-point: ( 0.46 -0.46 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( -5.838 -1.771 0.000) 6.101 3.780 ( -20.574 -1.289 0.000) 20.615 4.730 ( 2.356 2.999 0.000) 3.814 5.445 ( -6.113 -11.254 -0.000) 12.807 5.708 ( -9.928 -2.168 0.000) 10.162 5.836 ( -6.388 12.211 0.000) 13.781 6.449 ( -21.233 -0.331 0.000) 21.235 7.567 ( -4.650 -15.148 -0.000) 15.846 7.739 ( 3.409 -17.695 -0.000) 18.020 8.295 ( 16.911 22.003 0.000) 27.751 10.590 ( -17.666 6.869 0.000) 18.954 13.860 ( -0.090 -0.263 -0.000) 0.278 15.562 ( -4.754 -7.128 -0.000) 8.568 15.798 ( 26.465 -0.148 -0.000) 26.466 17.949 ( 1.271 0.376 -0.000) 1.326 ======================= Grid point 152 (140/306) ======================= q-point: ( 0.19 -0.59 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 0.326 3.222 -0.006) 3.238 4.135 ( 0.956 2.630 -0.371) 2.823 4.694 ( -1.659 2.354 -0.503) 2.924 4.864 ( -1.519 26.528 -0.449) 26.576 5.696 ( -0.396 13.976 1.159) 14.029 6.010 ( 0.906 0.300 -1.767) 2.008 6.394 ( -0.342 -1.255 2.203) 2.559 7.030 ( 1.192 16.039 -0.583) 16.094 7.342 ( -0.165 1.969 0.159) 1.982 9.144 ( -0.052 -20.958 -0.054) 20.958 11.323 ( -0.158 -11.065 0.038) 11.067 14.041 ( -0.077 -0.566 0.077) 0.576 15.047 ( 0.733 1.302 0.197) 1.507 15.789 ( 3.009 -2.239 -0.818) 3.839 17.807 ( -0.489 1.918 0.446) 2.030 ======================= Grid point 153 (141/306) ======================= q-point: (-0.45 -0.15 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -23.108 -1.445 -6.958) 24.176 1.905 ( -16.401 2.082 -6.872) 17.904 2.731 ( 1.484 -5.836 -1.307) 6.162 3.942 ( -12.962 -4.420 4.994) 14.577 4.247 ( -7.040 3.292 -2.203) 8.078 4.788 ( -4.395 6.346 -7.005) 10.424 5.740 ( -3.243 -14.724 5.563) 16.070 6.418 ( -2.438 -27.696 16.240) 32.199 8.433 ( 7.687 -14.782 -10.052) 19.459 8.940 ( -5.687 21.691 -3.186) 22.650 10.659 ( 8.322 13.746 5.369) 16.942 15.399 ( 9.391 -3.311 -1.652) 10.094 15.764 ( 22.326 4.470 0.638) 22.777 16.561 ( -19.550 3.800 -2.290) 20.047 16.735 ( -18.323 5.898 -2.678) 19.434 ======================= Grid point 154 (142/306) ======================= q-point: (-0.09 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 23.944 0.000 4.295) 24.326 3.791 ( 24.114 -0.000 -1.193) 24.144 3.832 ( -17.076 0.000 4.216) 17.588 4.569 ( -4.165 0.000 2.480) 4.847 5.493 ( -1.521 -0.000 -5.032) 5.257 5.756 ( -3.838 -0.000 -4.127) 5.636 6.299 ( 9.274 0.000 2.503) 9.606 6.489 ( 19.523 0.000 3.811) 19.891 6.762 ( 21.782 -0.000 -2.558) 21.932 9.937 ( -9.236 0.000 1.310) 9.329 11.440 ( 12.394 -0.000 -0.622) 12.410 13.900 ( 0.409 -0.000 -0.930) 1.016 15.731 ( -20.125 -0.000 -6.751) 21.227 16.235 ( -10.607 -0.000 -0.519) 10.620 17.949 ( -10.387 -0.000 -1.293) 10.467 ======================= Grid point 155 (143/306) ======================= q-point: ( 0.28 -0.28 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -28.267 6.564 0.000) 29.019 2.538 ( -4.745 10.736 0.000) 11.738 3.633 ( -50.888 2.377 0.000) 50.944 4.693 ( -4.853 2.659 0.000) 5.534 4.866 ( -20.181 -1.510 0.000) 20.238 5.070 ( -11.630 -5.597 0.000) 12.907 5.762 ( -1.397 -3.847 -0.000) 4.092 7.114 ( 12.278 35.965 0.000) 38.003 7.503 ( -1.362 22.403 0.000) 22.444 9.317 ( -22.794 -24.607 -0.000) 33.542 10.238 ( 22.727 -14.345 -0.000) 26.876 14.562 ( 20.428 1.820 -0.000) 20.509 15.913 ( 0.560 -13.277 -0.000) 13.289 16.743 ( 2.190 3.023 0.000) 3.733 17.511 ( -22.635 -7.789 0.000) 23.938 ======================= Grid point 156 (144/306) ======================= q-point: (-0.36 0.16 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 11.285 -14.650 -0.692) 18.506 2.621 ( 30.538 -3.562 -4.351) 31.051 4.445 ( 24.968 -2.003 5.312) 25.605 4.714 ( 10.060 -0.796 -4.863) 11.202 5.273 ( 21.544 -2.145 1.597) 21.709 5.453 ( 14.261 0.416 2.753) 14.530 5.826 ( 2.331 -3.311 -5.909) 7.163 6.316 ( -2.689 -16.814 2.470) 17.206 7.051 ( -0.349 -27.591 -1.533) 27.636 10.061 ( -19.633 14.247 0.717) 24.268 10.206 ( 20.096 18.543 -0.491) 27.348 14.187 ( -14.498 -0.631 0.502) 14.521 15.959 ( -1.488 6.571 12.374) 14.090 16.667 ( -12.223 1.584 -6.766) 14.060 17.975 ( 6.096 8.889 1.708) 10.913 ======================= Grid point 159 (145/306) ======================= q-point: (-0.27 -0.53 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -9.199 -5.992 0.180) 10.980 3.966 ( -9.510 -1.722 1.399) 9.766 4.523 ( 16.066 -21.214 -3.811) 26.883 4.727 ( 1.202 -0.903 -0.087) 1.506 5.474 ( -2.092 -11.743 -2.383) 12.163 5.721 ( -5.099 -13.154 5.987) 15.325 6.498 ( -3.759 -2.256 -4.653) 6.393 6.725 ( -4.103 0.862 3.604) 5.529 7.178 ( -15.138 -0.725 -0.936) 15.184 9.571 ( 6.606 15.151 -0.388) 16.533 11.438 ( -8.033 8.172 0.006) 11.459 13.960 ( -7.439 0.520 -0.219) 7.460 15.222 ( 16.576 -1.596 -1.646) 16.734 15.596 ( -6.394 -0.134 7.938) 10.194 17.864 ( 4.856 -0.669 -1.449) 5.111 ======================= Grid point 160 (146/306) ======================= q-point: ( 0.09 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -0.000 16.659 0.000) 16.659 0.586 ( -0.000 14.026 0.000) 14.026 1.592 ( -0.000 33.312 0.000) 33.312 3.915 ( -0.000 1.825 0.000) 1.825 4.218 ( 0.000 -3.220 -0.000) 3.220 4.974 ( 0.000 -2.921 -0.000) 2.921 6.099 ( 0.000 -3.672 -0.000) 3.672 6.155 ( -0.000 27.801 0.000) 27.801 6.645 ( -0.000 17.312 0.000) 17.312 9.775 ( 0.000 -19.657 -0.000) 19.657 11.668 ( 0.000 -9.399 -0.000) 9.399 15.332 ( -0.000 1.251 0.000) 1.251 15.391 ( -0.000 5.476 0.000) 5.476 16.321 ( 0.000 -0.685 -0.000) 0.685 16.495 ( 0.000 -1.740 -0.000) 1.740 ======================= Grid point 161 (147/306) ======================= q-point: (-0.55 0.35 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 3.685 -0.905 0.053) 3.794 4.097 ( 8.722 0.612 -0.086) 8.744 4.704 ( 2.882 -3.331 -2.919) 5.284 5.606 ( -0.896 -9.205 2.041) 9.471 5.778 ( 5.045 6.095 0.308) 7.918 5.886 ( 3.225 2.999 0.301) 4.414 6.710 ( 9.240 -9.836 -0.707) 13.514 7.544 ( 4.252 -20.772 0.299) 21.205 7.712 ( -0.561 -7.607 -0.223) 7.631 8.206 ( -7.695 28.426 0.358) 29.451 10.842 ( 10.072 4.102 0.013) 10.875 13.938 ( 6.058 0.249 -0.003) 6.063 15.321 ( -20.831 0.127 -0.148) 20.831 15.729 ( 0.854 3.884 0.691) 4.037 17.891 ( -2.438 -0.777 0.087) 2.560 ======================= Grid point 162 (148/306) ======================= q-point: (-0.18 -0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -11.669 -19.600 -13.260) 26.384 1.678 ( -14.502 -6.008 -19.518) 25.047 2.649 ( -48.992 -0.435 -7.132) 49.510 4.179 ( -11.672 -8.724 19.537) 24.373 4.464 ( -19.117 -6.837 12.712) 23.954 4.660 ( -11.373 0.607 2.663) 11.696 5.485 ( -4.003 11.743 -5.922) 13.747 6.218 ( 5.049 -12.634 -5.233) 14.578 6.676 ( 12.666 -6.081 -15.147) 20.660 10.130 ( -9.741 6.766 4.690) 12.754 11.089 ( 12.358 3.759 -2.264) 13.114 14.826 ( 18.897 -1.435 -1.140) 18.986 15.847 ( 6.378 1.189 14.407) 15.800 16.975 ( -9.182 0.841 -6.965) 11.556 18.128 ( -16.462 19.568 12.410) 28.424 ======================= Grid point 163 (149/306) ======================= q-point: ( 0.18 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 9.561 11.148 1.333) 14.747 3.277 ( 28.046 1.232 0.851) 28.086 4.542 ( 3.501 1.651 0.364) 3.888 5.028 ( 3.943 14.205 2.910) 15.026 5.554 ( 6.740 6.505 -3.791) 10.105 5.818 ( 27.452 -1.607 -1.508) 27.540 6.038 ( 4.339 -7.773 5.906) 10.683 6.364 ( 10.884 14.680 1.184) 18.312 7.009 ( -2.175 26.472 -2.331) 26.664 9.676 ( -17.105 -18.023 -0.334) 24.849 10.627 ( 20.036 -14.783 0.518) 24.905 13.946 ( -7.834 0.311 -0.729) 7.874 15.667 ( -0.302 -1.173 -12.193) 12.253 16.418 ( -21.844 -3.718 1.643) 22.219 17.984 ( -0.655 -2.596 -1.100) 2.894 ======================= Grid point 164 (150/306) ======================= q-point: (-0.46 -0.34 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -12.021 -4.020 -2.292) 12.881 2.814 ( -17.415 -0.897 2.605) 17.631 4.515 ( -25.123 -4.327 -7.885) 26.684 4.989 ( -18.924 -5.479 9.145) 21.720 5.045 ( -21.160 2.058 -4.384) 21.707 5.239 ( -8.142 4.127 3.995) 9.964 5.947 ( -6.819 8.347 -2.213) 11.003 6.726 ( -11.810 -34.611 1.722) 36.611 7.775 ( 16.455 -21.541 -2.963) 27.268 9.565 ( 19.771 21.994 1.332) 29.604 9.952 ( -21.592 15.553 -0.710) 26.620 14.209 ( 17.357 -0.524 -0.408) 17.370 15.285 ( -1.571 -6.926 4.471) 8.392 16.786 ( 17.797 3.988 0.135) 18.239 17.785 ( -11.661 2.431 0.269) 11.914 ======================= Grid point 165 (151/306) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 16.686 0.000 -0.000) 16.686 1.754 ( 37.097 0.000 -0.000) 37.097 3.618 ( 57.461 0.000 -0.000) 57.461 4.673 ( -10.298 -0.000 0.000) 10.298 4.924 ( 1.919 0.000 -0.000) 1.919 5.208 ( 18.466 0.000 -0.000) 18.466 5.338 ( 11.994 0.000 -0.000) 11.994 5.654 ( 8.448 0.000 -0.000) 8.448 6.317 ( -1.538 -0.000 0.000) 1.538 10.562 ( 13.083 0.000 -0.000) 13.083 10.755 ( -15.207 -0.000 0.000) 15.207 14.474 ( -16.380 -0.000 0.000) 16.380 16.474 ( -1.932 -0.000 0.000) 1.932 16.651 ( -0.936 -0.000 0.000) 0.936 18.739 ( -10.937 -0.000 0.000) 10.937 ======================= Grid point 166 (152/306) ======================= q-point: ( 0.27 -0.47 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -7.360 4.822 0.070) 8.799 3.804 ( -21.915 -0.104 0.546) 21.922 4.582 ( 0.118 4.543 -2.633) 5.253 5.348 ( -1.301 15.241 -0.408) 15.302 5.782 ( -6.127 -3.465 2.937) 7.626 5.891 ( -4.574 -5.077 -2.450) 7.259 6.269 ( -13.247 8.480 -0.769) 15.748 6.966 ( -14.487 17.849 -0.384) 22.991 7.480 ( 0.958 18.055 1.176) 18.118 8.960 ( 14.502 -23.646 0.700) 27.748 10.722 ( -17.744 -12.006 -0.361) 21.427 13.876 ( -0.010 -0.471 0.255) 0.536 15.736 ( 12.919 -0.707 4.631) 13.742 15.898 ( 12.552 -6.114 -1.249) 14.018 17.933 ( 2.911 0.278 0.123) 2.927 ======================= Grid point 169 (153/306) ======================= q-point: ( 0.36 -0.16 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -3.956 11.828 3.900) 13.068 1.742 ( -38.626 5.052 0.805) 38.963 2.702 ( 0.800 4.938 3.101) 5.885 4.075 ( -12.280 -5.476 1.794) 13.565 4.176 ( -10.656 2.958 -2.209) 11.278 4.871 ( -0.921 1.290 -10.774) 10.890 5.714 ( 0.433 -4.455 7.530) 8.759 7.739 ( 1.070 10.556 -3.861) 11.290 7.909 ( -6.597 -14.555 -6.124) 17.113 8.503 ( 2.124 17.794 13.015) 22.148 10.636 ( 10.442 -14.203 -3.920) 18.059 15.496 ( 2.269 2.014 -2.197) 3.746 15.623 ( 18.010 -0.604 2.558) 18.200 16.497 ( -16.138 1.578 -0.476) 16.221 16.570 ( -15.578 1.726 2.385) 15.854 ======================= Grid point 170 (154/306) ======================= q-point: (-0.28 0.28 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 16.789 -14.381 -0.000) 22.106 3.809 ( 24.436 -0.190 -0.000) 24.437 4.337 ( -12.519 -27.039 -0.000) 29.796 4.469 ( -3.451 0.910 0.000) 3.569 5.618 ( -0.909 -4.043 -0.000) 4.144 5.961 ( 2.297 -0.335 -0.000) 2.322 6.363 ( 15.327 5.014 -0.000) 16.126 6.613 ( 3.090 -20.492 -0.000) 20.724 6.742 ( 24.857 0.567 -0.000) 24.864 9.680 ( -10.549 12.249 0.000) 16.166 11.226 ( 13.928 10.680 0.000) 17.551 13.901 ( 0.034 0.453 0.000) 0.454 15.807 ( -24.369 0.120 0.000) 24.369 16.132 ( -5.903 4.954 0.000) 7.706 17.945 ( -7.857 0.699 0.000) 7.888 ======================= Grid point 172 (155/306) ======================= q-point: (-0.55 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 20.380 -1.908 -0.201) 20.470 2.872 ( 11.519 -2.045 -2.135) 11.892 4.456 ( 23.285 -1.787 3.038) 23.550 4.892 ( 25.213 -2.308 -2.159) 25.410 5.163 ( 16.774 2.308 0.496) 16.939 5.382 ( 18.829 1.524 -1.597) 18.958 5.728 ( -1.808 2.503 0.730) 3.173 7.470 ( -2.078 -25.495 3.359) 25.799 7.828 ( -6.005 -0.831 -4.318) 7.442 9.358 ( -21.308 9.196 2.554) 23.348 9.611 ( 22.793 9.417 -1.534) 24.710 14.211 ( -16.721 -0.444 -0.079) 16.728 15.542 ( 1.509 3.574 3.725) 5.379 16.705 ( -15.037 0.291 -1.496) 15.114 17.758 ( 12.639 1.464 0.293) 12.727 ======================= Grid point 173 (156/306) ======================= q-point: (-0.19 -0.41 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -11.345 -9.254 -7.085) 16.265 3.244 ( -25.694 -0.662 0.078) 25.703 4.455 ( -3.008 -11.248 -5.398) 12.834 4.591 ( -4.504 0.090 -1.978) 4.920 5.185 ( -5.874 -1.785 7.261) 9.509 5.675 ( 0.559 -8.992 6.670) 11.210 6.061 ( -27.138 -4.996 -0.894) 27.608 6.253 ( -7.901 -1.563 2.714) 8.499 6.511 ( -5.511 3.960 -9.623) 11.775 10.207 ( 14.371 6.800 -2.524) 16.097 11.032 ( -17.501 5.396 1.628) 18.386 13.914 ( 7.005 -0.343 0.390) 7.024 15.358 ( -2.007 -0.808 14.655) 14.814 16.524 ( 26.355 1.591 2.737) 26.545 18.040 ( 3.771 1.320 1.578) 4.295 ======================= Grid point 175 (157/306) ======================= q-point: (-0.46 -0.54 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -4.704 -3.412 -0.000) 5.811 4.036 ( -9.144 -2.131 0.000) 9.389 4.740 ( 0.324 0.050 -0.000) 0.328 5.282 ( -1.467 -14.046 -0.000) 14.122 5.846 ( -6.430 -0.623 0.000) 6.460 6.084 ( 3.372 4.485 0.000) 5.611 6.513 ( -0.228 -14.538 -0.000) 14.540 7.311 ( -6.360 -21.199 -0.000) 22.133 7.323 ( -6.941 -9.808 -0.000) 12.016 8.698 ( 4.565 28.221 0.000) 28.588 11.030 ( -8.267 10.717 0.000) 13.535 13.940 ( -6.688 0.405 0.000) 6.700 15.292 ( 20.895 -0.922 -0.000) 20.915 15.588 ( -7.943 -3.059 0.000) 8.512 17.900 ( 3.255 -0.356 -0.000) 3.274 ======================= Grid point 177 (158/306) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( -0.000 -0.000 -14.689) 14.689 0.480 ( -0.000 -0.000 -22.231) 22.231 0.884 ( -0.000 -0.000 -40.059) 40.059 3.843 ( 0.000 0.000 3.247) 3.247 4.295 ( -0.000 -0.000 -1.052) 1.052 4.489 ( 0.000 0.000 29.286) 29.286 5.657 ( -0.000 -0.000 -22.249) 22.249 6.213 ( 0.000 0.000 14.500) 14.500 7.037 ( -0.000 -0.000 -7.786) 7.786 10.119 ( 0.000 0.000 4.264) 4.264 11.309 ( -0.000 -0.000 -2.334) 2.334 15.333 ( -0.000 -0.000 -2.442) 2.442 16.324 ( 0.000 0.000 1.058) 1.058 16.546 ( -0.000 -0.000 -1.400) 1.400 17.306 ( 0.000 0.000 1.923) 1.923 ======================= Grid point 178 (159/306) ======================= q-point: ( 0.26 0.34 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 4.626 3.250 -0.200) 5.658 4.069 ( 10.001 1.332 -1.130) 10.152 4.754 ( 0.803 2.735 1.031) 3.031 5.293 ( -0.533 14.187 -1.026) 14.234 5.828 ( 5.932 0.360 0.143) 5.944 6.012 ( -2.520 -4.692 2.395) 5.839 6.489 ( 2.848 15.307 1.238) 15.619 7.272 ( 10.682 11.124 0.638) 15.435 7.387 ( 1.264 17.140 -1.899) 17.291 8.723 ( -5.485 -26.855 -0.851) 27.422 11.015 ( 8.966 -10.800 0.546) 14.048 13.941 ( 6.440 -0.312 -0.065) 6.447 15.293 ( -19.201 1.859 -0.385) 19.295 15.697 ( 2.353 -1.432 -3.758) 4.659 17.879 ( -3.094 1.043 0.616) 3.322 ======================= Grid point 179 (160/306) ======================= q-point: (-0.37 -0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -9.540 -2.689 -10.468) 14.416 2.494 ( -7.340 -11.079 -7.419) 15.220 2.761 ( -39.103 0.744 -2.101) 39.167 4.200 ( -20.105 -4.682 7.398) 21.929 4.467 ( -9.528 2.610 -1.617) 10.011 4.981 ( -5.453 -6.075 -0.744) 8.197 5.445 ( -18.379 -22.738 6.006) 29.847 6.198 ( 3.748 1.600 8.202) 9.159 7.779 ( 13.175 -25.321 -11.714) 30.854 9.548 ( -11.700 19.101 0.118) 22.400 10.719 ( 14.051 14.513 2.767) 20.389 14.982 ( 21.300 -3.626 -3.323) 21.860 15.527 ( 10.159 1.931 8.817) 13.590 17.018 ( -12.313 3.057 -4.024) 13.310 17.282 ( -19.015 13.640 0.632) 23.410 ======================= Grid point 181 (161/306) ======================= q-point: ( 0.35 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -29.704 2.850 0.000) 29.840 2.772 ( -5.481 3.140 0.000) 6.317 4.649 ( -44.673 3.337 0.000) 44.797 4.799 ( 3.493 6.376 0.000) 7.270 5.185 ( -16.290 -4.456 0.000) 16.888 5.233 ( -17.221 -7.070 0.000) 18.616 5.782 ( -5.894 0.344 0.000) 5.904 7.595 ( 8.988 32.139 0.000) 33.372 7.687 ( 0.374 -4.031 -0.000) 4.048 9.431 ( 26.437 -16.368 -0.000) 31.094 9.563 ( -28.851 -3.629 0.000) 29.078 14.210 ( 16.447 0.363 -0.000) 16.451 15.655 ( -0.450 -12.011 -0.000) 12.020 16.645 ( 13.793 2.769 -0.000) 14.069 17.768 ( -12.701 -2.033 0.000) 12.863 ======================= Grid point 185 (162/306) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -3.417 -1.980 0.139) 3.951 3.679 ( 15.419 -19.266 -0.783) 24.689 4.114 ( -4.509 -1.220 2.601) 5.346 4.671 ( 5.751 0.894 0.311) 5.828 5.387 ( -3.707 -3.875 -2.109) 5.763 5.618 ( -8.254 -10.771 0.459) 13.578 6.496 ( 0.035 -1.375 -1.236) 1.849 6.800 ( 1.717 2.690 2.406) 3.997 7.333 ( 0.067 0.258 -1.497) 1.521 9.712 ( 1.578 7.362 -0.002) 7.529 11.649 ( -0.508 4.450 -0.007) 4.479 14.067 ( 0.587 0.373 -0.364) 0.785 15.021 ( -3.056 -0.503 -0.971) 3.246 15.802 ( -11.579 0.547 3.113) 12.003 17.775 ( 1.817 -0.652 -1.563) 2.483 ======================= Grid point 186 (163/306) ======================= q-point: ( 0.17 -0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -10.386 15.832 0.000) 18.935 1.450 ( -46.724 7.415 0.000) 47.309 2.158 ( -1.815 21.871 0.000) 21.946 4.120 ( -14.821 0.636 0.000) 14.834 4.258 ( -10.965 -4.281 0.000) 11.771 4.954 ( -0.608 -0.320 0.000) 0.687 5.919 ( 4.564 -5.470 -0.000) 7.124 6.778 ( -3.752 30.749 0.000) 30.977 6.963 ( 11.639 29.593 0.000) 31.799 9.347 ( -5.519 -28.497 -0.000) 29.027 11.240 ( 16.317 -9.678 -0.000) 18.971 15.318 ( 17.544 5.901 -0.000) 18.510 15.872 ( -34.055 -15.643 0.000) 37.476 16.447 ( -10.840 0.828 0.000) 10.872 16.551 ( -14.911 -2.618 0.000) 15.139 ======================= Grid point 188 (164/306) ======================= q-point: (-0.11 -0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -14.332 -0.000 -16.720) 22.022 2.048 ( -25.913 -0.000 -11.102) 28.192 3.636 ( -47.503 -0.000 -0.693) 47.508 4.236 ( -6.831 0.000 16.327) 17.698 4.846 ( -20.824 0.000 9.517) 22.896 4.900 ( -9.727 -0.000 0.209) 9.729 5.759 ( -11.032 -0.000 -6.580) 12.845 5.916 ( 5.398 -0.000 -8.328) 9.924 6.443 ( 8.106 -0.000 -7.992) 11.384 10.424 ( -12.480 0.000 4.184) 13.162 10.871 ( 13.135 -0.000 -3.291) 13.541 14.446 ( 17.465 0.000 0.315) 17.467 15.770 ( 2.873 0.000 18.743) 18.962 17.070 ( 1.156 -0.000 -8.127) 8.209 18.401 ( 3.101 0.000 13.093) 13.455 ======================= Grid point 189 (165/306) ======================= q-point: ( 0.26 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 17.496 5.555 0.796) 18.374 2.806 ( 16.478 4.259 3.478) 17.371 4.402 ( 21.909 3.211 -3.024) 22.349 4.849 ( 21.588 1.893 4.557) 22.145 5.217 ( 21.206 -2.168 -2.034) 21.413 5.401 ( 15.481 -0.839 -1.668) 15.594 5.831 ( -0.020 -6.919 2.028) 7.210 6.830 ( -0.289 34.499 -2.667) 34.603 7.603 ( -7.364 20.789 3.885) 22.395 9.662 ( -13.097 -19.699 -2.912) 23.834 9.894 ( 14.994 -16.402 1.943) 22.307 14.197 ( -15.946 0.950 -0.015) 15.974 15.611 ( 0.767 -3.240 -9.627) 10.187 16.733 ( -14.874 -2.421 3.269) 15.420 17.815 ( 10.848 -4.285 -1.003) 11.706 ======================= Grid point 190 (166/306) ======================= q-point: (-0.38 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -6.993 -8.059 -0.757) 10.697 3.276 ( -24.561 -1.020 0.556) 24.588 4.671 ( -5.530 -3.346 -5.606) 8.555 5.032 ( -3.847 -7.582 4.735) 9.731 5.401 ( -10.926 -6.395 1.406) 12.738 5.763 ( -27.977 1.157 0.853) 28.014 6.214 ( -7.578 0.935 -4.453) 8.839 6.454 ( -13.821 -14.507 1.203) 20.072 6.945 ( 12.927 -25.220 -0.378) 28.342 9.658 ( 16.173 21.990 0.345) 27.300 10.654 ( -19.929 12.327 -0.519) 23.439 13.935 ( 8.620 -0.473 -0.180) 8.635 15.233 ( -5.324 -5.073 6.412) 9.757 16.388 ( 27.246 2.095 1.544) 27.370 17.964 ( -2.346 1.565 -0.031) 2.820 ======================= Grid point 193 (167/306) ======================= q-point: (-0.29 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -0.000 -4.624 -15.570) 16.242 1.391 ( -0.000 -9.769 -17.103) 19.697 1.985 ( -0.000 -20.394 -19.733) 28.378 3.788 ( 0.000 -2.175 5.508) 5.922 4.267 ( -0.000 2.835 -1.949) 3.441 4.661 ( 0.000 -33.060 29.026) 43.994 5.147 ( -0.000 15.159 -1.307) 15.215 6.455 ( 0.000 -1.093 1.599) 1.937 7.396 ( 0.000 -16.571 -14.431) 21.973 9.728 ( -0.000 15.521 3.305) 15.869 11.317 ( 0.000 5.347 5.384) 7.588 15.418 ( -0.000 -0.559 -3.689) 3.731 16.281 ( 0.000 0.428 1.811) 1.860 16.378 ( -0.000 17.962 -16.007) 24.059 16.577 ( -0.000 5.531 -5.427) 7.749 ======================= Grid point 195 (168/306) ======================= q-point: ( 0.44 -0.24 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -9.604 6.673 -0.476) 11.704 2.672 ( -23.063 2.157 2.498) 23.298 2.775 ( -25.365 0.111 -0.847) 25.380 4.300 ( -19.999 -5.300 2.207) 20.807 4.471 ( -13.407 0.935 -3.235) 13.823 4.959 ( -2.804 4.362 -7.615) 9.213 5.681 ( -1.180 1.164 6.602) 6.807 7.115 ( -7.642 -43.329 6.097) 44.418 8.399 ( 6.188 17.101 -7.750) 19.769 8.828 ( -10.130 13.929 2.654) 17.427 10.181 ( 17.348 -0.676 0.449) 17.367 15.123 ( 26.794 1.281 -0.340) 26.827 15.453 ( 1.634 -5.771 0.041) 5.998 16.896 ( -7.598 5.484 0.472) 9.382 16.958 ( -23.564 2.975 -0.206) 23.752 ======================= Grid point 196 (169/306) ======================= q-point: (-0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 19.760 -18.963 -0.000) 27.387 3.213 ( 33.447 -0.335 -0.000) 33.448 4.247 ( -15.287 -11.686 -0.000) 19.242 4.638 ( -7.080 4.118 0.000) 8.190 5.481 ( 16.816 -1.772 -0.000) 16.909 5.871 ( 6.020 -0.289 -0.000) 6.027 5.893 ( 27.438 0.182 -0.000) 27.439 6.138 ( 8.572 -15.016 -0.000) 17.291 6.435 ( 11.383 2.895 -0.000) 11.745 10.097 ( -13.926 5.232 0.000) 14.877 11.100 ( 15.997 6.717 -0.000) 17.350 13.979 ( -7.107 0.142 0.000) 7.109 16.249 ( -19.000 -0.027 0.000) 19.000 16.321 ( -4.448 3.238 0.000) 5.501 18.185 ( -12.013 3.133 0.000) 12.415 ======================= Grid point 199 (170/306) ======================= q-point: (-0.11 -0.49 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -14.331 -0.000 -4.553) 15.037 3.700 ( -19.951 0.000 2.580) 20.117 4.197 ( 14.307 -0.000 -12.589) 19.057 4.701 ( -2.653 -0.000 -2.447) 3.609 5.243 ( -1.593 0.000 4.923) 5.175 5.422 ( 2.123 0.000 11.192) 11.391 6.369 ( -5.103 0.000 1.169) 5.236 6.676 ( -28.440 -0.000 -1.847) 28.500 6.704 ( -8.571 -0.000 -3.875) 9.406 10.023 ( 10.831 -0.000 -2.203) 11.053 11.398 ( -13.707 0.000 1.123) 13.753 13.861 ( -1.811 0.000 0.375) 1.850 15.368 ( 2.167 0.000 8.178) 8.460 16.031 ( 21.496 0.000 8.399) 23.079 17.936 ( 6.858 -0.000 -1.149) 6.954 ======================= Grid point 201 (171/306) ======================= q-point: (-0.39 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( -1.041 -3.256 -0.000) 3.418 4.113 ( -3.328 -1.375 0.000) 3.600 4.677 ( 5.448 -1.345 -0.000) 5.611 4.838 ( 5.049 -28.928 -0.000) 29.366 5.757 ( 2.688 -14.797 -0.000) 15.039 5.930 ( -4.438 -1.988 0.000) 4.863 6.496 ( 1.704 7.880 0.000) 8.063 6.997 ( -4.219 -20.906 -0.000) 21.328 7.349 ( 0.403 -1.143 -0.000) 1.212 9.141 ( 0.166 21.151 0.000) 21.152 11.325 ( 0.513 11.012 0.000) 11.024 14.045 ( 0.256 0.763 0.000) 0.805 15.058 ( -2.178 -0.692 0.000) 2.285 15.746 ( -9.825 0.692 0.000) 9.850 17.829 ( 1.465 -1.225 -0.000) 1.909 ======================= Grid point 203 (172/306) ======================= q-point: ( 0.34 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 5.873 1.641 -0.061) 6.099 3.785 ( 20.147 0.575 -0.252) 20.157 4.758 ( 2.435 0.494 0.165) 2.490 5.496 ( 0.932 6.972 -2.522) 7.473 5.673 ( 8.921 2.132 1.266) 9.260 5.817 ( 5.387 -9.911 0.884) 11.315 6.419 ( 23.408 1.618 0.847) 23.479 7.498 ( 3.205 19.799 2.019) 20.159 7.730 ( -1.052 11.579 0.424) 11.635 8.385 ( -17.444 -21.693 -2.959) 27.994 10.568 ( 18.243 -5.862 0.712) 19.175 13.863 ( 0.053 0.078 -0.113) 0.147 15.598 ( 3.338 3.169 -1.656) 4.891 15.821 ( -25.699 -1.345 -0.632) 25.742 17.940 ( -1.399 -0.015 0.220) 1.416 ======================= Grid point 204 (173/306) ======================= q-point: (-0.30 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -12.746 -9.622 -8.932) 18.298 2.392 ( -11.213 -7.028 -7.848) 15.385 3.630 ( -40.584 -0.522 -1.810) 40.628 4.457 ( -20.945 -15.514 10.794) 28.211 4.750 ( -13.187 3.182 -2.251) 13.750 4.818 ( -13.147 -13.305 6.970) 19.961 5.687 ( -16.919 1.578 -0.478) 16.999 6.186 ( 4.240 3.133 1.079) 5.381 7.008 ( 15.155 -21.508 -11.155) 28.578 10.131 ( -16.138 11.330 1.954) 19.814 10.678 ( 16.236 12.165 -0.686) 20.299 14.506 ( 19.953 -1.995 -2.056) 20.157 15.397 ( 4.682 -0.113 14.336) 15.081 17.161 ( 3.684 2.988 -5.104) 6.968 17.846 ( -9.740 10.968 7.065) 16.281 ======================= Grid point 206 (174/306) ======================= q-point: ( 0.43 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -6.052 -1.849 0.000) 6.328 3.289 ( -27.469 0.036 0.000) 27.469 4.807 ( 4.847 3.208 -0.000) 5.813 5.275 ( -12.471 -10.248 -0.000) 16.141 5.461 ( -14.931 -2.949 0.000) 15.219 5.533 ( -26.174 8.870 0.000) 27.636 6.042 ( -15.024 3.788 0.000) 15.494 7.465 ( -5.444 -20.506 -0.000) 21.216 7.838 ( 6.958 -2.936 -0.000) 7.552 8.728 ( 25.122 9.253 -0.000) 26.772 10.173 ( -23.750 8.965 0.000) 25.386 13.949 ( 9.083 -0.287 -0.000) 9.088 15.478 ( -3.474 -9.478 -0.000) 10.095 16.307 ( 23.703 1.398 -0.000) 23.745 17.924 ( -4.410 0.325 0.000) 4.422 ======================= Grid point 208 (175/306) ======================= q-point: ( 0.16 -0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( -6.669 4.832 0.358) 8.243 4.073 ( -8.244 1.221 1.532) 8.474 4.626 ( -3.691 3.989 -3.568) 6.501 4.903 ( 4.563 25.475 -2.747) 26.026 5.682 ( -1.065 12.277 1.076) 12.370 6.037 ( 1.444 -1.379 -1.194) 2.327 6.344 ( -4.701 -1.101 1.585) 5.082 7.023 ( -2.148 17.011 1.775) 17.238 7.190 ( -14.347 3.606 -0.294) 14.796 9.201 ( 5.926 -20.568 -0.123) 21.405 11.234 ( -8.635 -11.586 -0.219) 14.451 13.950 ( -6.336 -0.404 0.177) 6.351 15.278 ( 18.807 1.421 1.633) 18.932 15.843 ( 3.026 -3.782 3.926) 6.235 17.840 ( 3.570 1.633 -0.279) 3.936 ======================= Grid point 209 (176/306) ======================= q-point: (-0.48 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -0.000 0.349 -6.933) 6.941 1.847 ( -0.000 0.853 -8.991) 9.032 2.748 ( 0.000 -5.899 -1.719) 6.144 3.807 ( 0.000 -4.648 4.948) 6.789 4.172 ( -0.000 4.157 -2.651) 4.930 4.745 ( -0.000 6.361 -7.163) 9.579 5.704 ( 0.000 -19.825 6.840) 20.972 6.395 ( 0.000 -23.707 16.670) 28.981 8.512 ( 0.000 -12.753 -9.798) 16.082 8.886 ( -0.000 20.127 -3.015) 20.351 10.743 ( -0.000 13.545 5.720) 14.703 15.490 ( -0.000 0.526 -2.043) 2.110 16.236 ( -0.000 4.668 -7.790) 9.081 16.238 ( 0.000 -0.152 1.121) 1.131 16.422 ( -0.000 5.806 -0.267) 5.812 ======================= Grid point 210 (177/306) ======================= q-point: (-0.12 0.32 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 24.371 0.000 0.865) 24.386 3.503 ( -14.425 0.000 4.278) 15.046 4.114 ( 6.669 -0.000 -1.028) 6.748 4.557 ( 4.279 0.000 3.179) 5.330 5.432 ( -3.931 -0.000 -3.774) 5.450 5.652 ( -6.500 -0.000 -2.874) 7.107 6.437 ( 4.659 0.000 0.595) 4.697 6.736 ( 7.642 0.000 2.719) 8.111 7.174 ( 15.922 -0.000 -1.920) 16.037 9.806 ( -3.872 0.000 0.731) 3.940 11.633 ( 6.585 -0.000 -0.290) 6.592 13.973 ( 6.204 -0.000 -0.396) 6.216 15.296 ( -21.085 -0.000 -2.792) 21.269 16.034 ( -10.438 -0.000 -0.783) 10.467 17.794 ( -4.713 -0.000 -1.107) 4.841 ======================= Grid point 211 (178/306) ======================= q-point: ( 0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -18.219 11.647 0.000) 21.624 2.424 ( -16.241 10.696 0.000) 19.446 2.650 ( -37.249 5.081 0.000) 37.594 4.458 ( -15.991 -3.227 0.000) 16.313 4.471 ( -18.839 0.111 0.000) 18.840 4.967 ( -0.747 -0.027 0.000) 0.748 5.749 ( 0.164 -6.335 -0.000) 6.337 7.370 ( 12.977 35.572 0.000) 37.865 7.455 ( -3.435 26.783 0.000) 27.002 8.929 ( -15.604 -31.462 -0.000) 35.118 10.661 ( 19.403 -13.424 -0.000) 23.594 14.998 ( 22.842 3.779 -0.000) 23.153 15.888 ( -4.570 -14.047 -0.000) 14.772 16.689 ( -7.356 3.359 0.000) 8.087 16.972 ( -29.197 -5.055 0.000) 29.631 ======================= Grid point 215 (179/306) ======================= q-point: (-0.30 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -9.380 -8.124 -0.686) 12.428 3.686 ( -18.449 -1.575 1.277) 18.560 4.699 ( -1.190 -0.593 -2.350) 2.700 4.819 ( 8.747 -11.930 -4.387) 15.430 5.371 ( -8.633 -13.540 -1.094) 16.095 5.715 ( 4.589 -17.672 8.079) 19.966 6.381 ( -8.475 -4.613 -1.323) 9.740 6.618 ( -6.774 5.498 0.325) 8.731 6.772 ( -22.787 -3.421 -1.735) 23.108 9.755 ( 11.666 15.441 -0.671) 19.364 11.208 ( -14.787 8.362 0.100) 16.988 13.859 ( -1.399 0.048 -0.061) 1.401 15.289 ( -7.341 -3.052 4.209) 8.995 15.846 ( 27.452 0.695 5.069) 27.925 17.958 ( 3.929 0.241 -1.010) 4.064 ======================= Grid point 218 (180/306) ======================= q-point: (-0.21 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -7.080 -23.072 -13.105) 27.463 1.365 ( -24.150 -5.268 -17.919) 30.530 1.856 ( -21.964 -3.972 -22.277) 31.535 3.919 ( -13.581 -1.022 11.282) 17.686 4.168 ( -9.415 -19.061 26.192) 33.734 4.423 ( -10.427 0.180 0.260) 10.432 5.493 ( 3.080 19.147 -2.925) 19.613 6.302 ( 3.202 -12.039 -4.258) 13.165 6.975 ( 16.649 -6.607 -14.740) 23.197 9.987 ( -4.600 6.631 5.471) 9.751 11.290 ( 7.534 1.913 -1.101) 7.850 15.189 ( 16.980 -1.226 -3.276) 17.336 16.036 ( 13.040 1.499 6.536) 14.663 16.738 ( -12.975 1.397 -4.308) 13.742 17.562 ( -39.567 25.582 5.833) 47.476 ======================= Grid point 219 (181/306) ======================= q-point: ( 0.15 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 9.611 8.228 0.200) 12.653 3.778 ( 21.016 0.628 -1.430) 21.074 4.580 ( 1.341 2.923 3.869) 5.031 5.005 ( -4.602 21.740 3.049) 22.430 5.646 ( 2.893 9.347 -2.705) 10.152 6.054 ( 0.623 -3.195 3.305) 4.639 6.206 ( 9.456 -1.494 -0.408) 9.581 6.752 ( 24.111 5.953 -0.267) 24.836 7.011 ( 2.068 21.961 -2.614) 22.212 9.381 ( -12.111 -19.695 0.030) 23.121 10.988 ( 15.705 -12.833 0.396) 20.285 13.872 ( 0.483 -0.162 -0.604) 0.791 15.604 ( -8.996 1.383 -6.811) 11.368 16.001 ( -16.288 -5.069 -2.569) 17.251 17.926 ( -4.377 0.211 0.101) 4.383 ======================= Grid point 220 (182/306) ======================= q-point: (-0.49 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -17.174 1.624 -2.815) 17.478 2.680 ( -2.206 -4.487 2.414) 5.552 3.734 ( -46.935 0.263 -3.306) 47.052 4.600 ( -20.455 -6.659 4.249) 21.927 4.735 ( -12.869 0.861 -5.201) 13.907 5.132 ( -4.061 4.508 0.351) 6.078 5.829 ( -5.142 7.354 1.275) 9.064 6.476 ( -12.915 -40.438 5.325) 42.783 8.101 ( 15.827 -17.566 -4.675) 24.102 9.504 ( -18.957 18.653 -2.301) 26.695 9.995 ( 19.073 17.514 2.958) 26.063 14.620 ( 23.496 -0.583 -1.206) 23.534 15.289 ( 2.097 -5.920 4.240) 7.578 17.030 ( 6.138 5.849 -0.577) 8.498 17.474 ( -19.254 4.264 0.422) 19.725 ======================= Grid point 221 (183/306) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 19.099 0.000 -0.000) 19.099 2.500 ( 37.205 0.000 -0.000) 37.205 4.433 ( -13.726 -0.000 0.000) 13.726 4.704 ( 50.403 0.000 -0.000) 50.403 4.846 ( -7.086 -0.000 0.000) 7.086 5.547 ( 14.894 0.000 -0.000) 14.894 5.667 ( 18.127 0.000 -0.000) 18.127 5.789 ( 4.778 0.000 -0.000) 4.778 6.322 ( 2.969 0.000 -0.000) 2.969 10.442 ( -15.692 -0.000 0.000) 15.692 10.852 ( 15.660 0.000 -0.000) 15.660 14.180 ( -12.738 -0.000 0.000) 12.738 16.427 ( -2.929 -0.000 0.000) 2.929 16.542 ( -10.203 -0.000 0.000) 10.203 18.494 ( -13.421 -0.000 0.000) 13.421 ======================= Grid point 225 (184/306) ======================= q-point: ( 0.33 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -0.000 7.379 0.628) 7.406 1.634 ( -0.000 12.226 4.335) 12.972 2.714 ( -0.000 5.178 3.153) 6.062 3.946 ( 0.000 -5.745 1.999) 6.083 4.065 ( -0.000 3.728 -2.044) 4.252 4.861 ( -0.000 1.085 -12.016) 12.065 5.719 ( 0.000 -4.813 8.138) 9.455 7.746 ( -0.000 21.143 -6.980) 22.265 7.833 ( 0.000 -29.285 -2.363) 29.380 8.540 ( -0.000 20.539 12.714) 24.155 10.743 ( 0.000 -14.960 -4.526) 15.630 15.451 ( -0.000 1.969 0.405) 2.010 15.979 ( -0.000 9.545 3.972) 10.338 16.256 ( 0.000 -1.078 -0.211) 1.098 16.369 ( 0.000 -1.598 -0.802) 1.788 ======================= Grid point 226 (185/306) ======================= q-point: (-0.31 0.31 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 12.097 -6.586 -0.000) 13.774 4.114 ( 4.667 0.268 -0.000) 4.674 4.143 ( -4.902 -32.390 -0.000) 32.759 4.497 ( 7.483 -0.486 -0.000) 7.499 5.577 ( -2.597 -5.607 -0.000) 6.180 5.942 ( -3.804 -5.121 -0.000) 6.379 6.569 ( 6.928 6.829 0.000) 9.727 6.662 ( 1.414 -15.602 -0.000) 15.666 7.176 ( 16.102 0.164 -0.000) 16.103 9.528 ( -4.629 13.537 0.000) 14.307 11.444 ( 7.647 9.290 0.000) 12.032 13.968 ( 5.886 0.479 -0.000) 5.906 15.329 ( -21.961 -0.003 0.000) 21.961 15.981 ( -9.466 2.858 0.000) 9.888 17.824 ( -3.687 -0.844 0.000) 3.782 ======================= Grid point 228 (186/306) ======================= q-point: (-0.58 0.18 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 6.814 -2.078 -0.009) 7.123 3.315 ( 26.200 -0.455 -0.683) 26.213 4.666 ( 4.594 -2.776 0.495) 5.391 5.412 ( 17.369 -5.851 -1.510) 18.390 5.463 ( 12.205 2.541 0.724) 12.488 5.692 ( 2.557 8.243 -3.343) 9.255 5.859 ( 27.490 -1.732 3.211) 27.731 7.442 ( -0.414 -25.460 0.292) 25.465 7.741 ( -2.592 -3.265 -1.974) 4.613 8.869 ( -24.244 16.031 2.231) 29.150 10.120 ( 24.697 5.742 -0.693) 25.365 13.954 ( -8.870 -0.025 0.077) 8.871 15.585 ( 2.701 2.851 3.094) 5.000 16.320 ( -22.976 0.701 -0.780) 22.999 17.920 ( 3.977 0.542 0.167) 4.018 ======================= Grid point 229 (187/306) ======================= q-point: (-0.22 -0.38 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -9.992 -10.683 -10.926) 18.258 2.726 ( -25.009 -0.940 -3.643) 25.290 4.224 ( -19.338 -2.413 2.448) 19.641 4.435 ( -13.855 -12.565 3.070) 18.954 5.003 ( -12.871 -1.517 8.129) 15.298 5.255 ( -28.388 5.462 -3.433) 29.111 5.987 ( 7.312 -9.878 1.680) 12.404 6.035 ( -12.480 -2.178 2.128) 12.846 6.525 ( 6.356 -0.802 -12.175) 13.758 10.483 ( 8.820 4.950 -2.312) 10.375 10.701 ( -10.940 7.173 2.141) 13.256 14.132 ( 14.517 -0.713 -0.457) 14.542 15.339 ( 0.568 -0.491 16.877) 16.894 16.986 ( 18.446 1.865 -1.891) 18.636 18.077 ( -0.076 3.667 6.164) 7.172 ======================= Grid point 231 (188/306) ======================= q-point: (-0.49 -0.51 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( -6.473 -4.613 -0.000) 7.949 3.749 ( -19.640 -1.797 0.000) 19.722 4.762 ( 2.336 0.246 -0.000) 2.349 5.227 ( -4.426 -10.619 -0.000) 11.505 5.678 ( -10.461 -1.322 0.000) 10.545 6.070 ( -6.846 10.074 0.000) 12.180 6.395 ( -13.088 -4.973 0.000) 14.001 7.158 ( -9.004 -24.327 -0.000) 25.940 7.256 ( 3.817 -23.779 -0.000) 24.083 8.859 ( 11.705 28.817 0.000) 31.103 10.784 ( -16.135 11.640 0.000) 19.895 13.857 ( -0.390 -0.038 0.000) 0.392 15.431 ( -7.439 -6.037 -0.000) 9.580 15.794 ( 27.661 -0.168 -0.000) 27.662 17.956 ( 1.643 0.338 -0.000) 1.677 ======================= Grid point 234 (189/306) ======================= q-point: ( 0.23 -0.63 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 0.157 2.412 0.002) 2.418 4.173 ( 0.655 1.355 -0.593) 1.618 4.749 ( -1.428 2.993 -0.946) 3.448 5.294 ( 0.592 16.587 0.237) 16.599 5.913 ( 1.413 3.560 0.563) 3.871 5.947 ( -2.243 -4.905 0.755) 5.447 6.504 ( -0.828 14.882 -0.396) 14.910 7.390 ( 0.096 17.175 0.251) 17.177 7.407 ( 0.881 6.150 0.040) 6.213 8.675 ( 0.358 -26.097 -0.164) 26.100 11.103 ( -0.256 -10.447 0.055) 10.450 14.031 ( -0.025 -0.444 0.014) 0.445 15.071 ( 0.412 1.041 -0.010) 1.119 15.748 ( 1.920 -1.787 -0.307) 2.641 17.841 ( -0.294 1.512 0.221) 1.556 ======================= Grid point 235 (190/306) ======================= q-point: (-0.41 -0.19 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -19.902 -1.941 -11.325) 22.980 1.916 ( -18.457 -1.355 -9.907) 20.992 2.575 ( 0.829 -9.560 -5.794) 11.209 3.859 ( -13.017 -4.033 6.383) 15.048 4.309 ( -5.866 2.723 -1.455) 6.629 4.906 ( -2.293 -6.211 -0.528) 6.642 5.129 ( -12.115 -26.479 9.538) 30.642 6.261 ( 2.358 3.507 9.746) 10.622 8.001 ( 8.545 -24.667 -11.395) 28.484 9.377 ( -5.527 19.725 0.776) 20.500 10.941 ( 7.874 13.700 3.881) 16.271 15.341 ( 13.857 -2.441 -3.184) 14.426 15.842 ( 21.228 3.236 2.554) 21.625 16.662 ( -19.683 5.892 -2.885) 20.748 16.884 ( -21.484 9.725 -3.983) 23.917 ======================= Grid point 237 (191/306) ======================= q-point: ( 0.32 -0.32 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -23.898 6.416 0.000) 24.744 2.682 ( -3.509 4.064 0.000) 5.369 3.686 ( -50.546 2.836 0.000) 50.625 4.749 ( -14.170 1.677 0.000) 14.269 4.839 ( -18.093 -1.254 0.000) 18.136 4.972 ( -2.916 -3.100 -0.000) 4.256 5.690 ( -3.801 -2.432 0.000) 4.512 7.701 ( 0.934 -7.714 -0.000) 7.770 7.806 ( 11.816 31.737 0.000) 33.866 8.989 ( -28.051 -3.336 0.000) 28.249 9.941 ( 24.219 -14.462 -0.000) 28.209 14.596 ( 22.007 1.579 -0.000) 22.064 15.654 ( 0.064 -12.558 -0.000) 12.558 16.816 ( 3.236 4.354 0.000) 5.425 17.418 ( -22.093 -2.018 0.000) 22.185 ======================= Grid point 241 (192/306) ======================= q-point: (-0.23 -0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -11.827 -4.917 0.003) 12.808 3.942 ( -8.697 -0.577 1.316) 8.814 4.153 ( 23.625 -14.247 -5.095) 28.055 4.734 ( 0.721 1.095 -0.335) 1.353 5.309 ( -4.599 -5.176 -0.913) 6.984 5.449 ( -7.990 -12.311 5.250) 15.587 6.454 ( -4.199 -1.151 -0.369) 4.370 6.792 ( -2.184 3.300 0.646) 4.009 7.174 ( -15.693 0.110 -1.533) 15.768 9.798 ( 6.984 7.687 -0.653) 10.407 11.562 ( -8.081 4.269 0.226) 9.142 13.969 ( -7.750 0.313 -0.347) 7.764 15.197 ( 15.394 -0.929 -2.122) 15.567 15.595 ( -6.133 -0.008 9.576) 11.371 17.853 ( 5.446 -0.356 -1.812) 5.751 ======================= Grid point 242 (193/306) ======================= q-point: ( 0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -0.000 12.655 0.000) 12.655 0.884 ( -0.000 18.407 0.000) 18.407 2.150 ( -0.000 22.949 0.000) 22.949 3.959 ( -0.000 2.629 0.000) 2.629 4.141 ( 0.000 -4.552 -0.000) 4.552 4.949 ( -0.000 0.189 0.000) 0.189 5.971 ( 0.000 -8.644 -0.000) 8.644 6.738 ( -0.000 30.606 0.000) 30.606 7.101 ( -0.000 27.949 0.000) 27.949 9.293 ( 0.000 -28.967 -0.000) 28.967 11.439 ( 0.000 -13.639 -0.000) 13.639 15.362 ( -0.000 1.771 0.000) 1.771 15.526 ( -0.000 8.180 0.000) 8.180 16.305 ( 0.000 -0.968 -0.000) 0.968 16.455 ( 0.000 -2.214 -0.000) 2.214 ======================= Grid point 244 (194/306) ======================= q-point: (-0.14 -0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -14.358 -0.000 -17.383) 22.546 1.632 ( -15.526 -0.000 -19.787) 25.151 2.645 ( -49.754 -0.000 -7.428) 50.305 4.068 ( -9.203 0.000 24.909) 26.555 4.406 ( -22.950 0.000 10.420) 25.205 4.677 ( -12.969 0.000 1.384) 13.043 5.665 ( 1.936 -0.000 -2.402) 3.085 6.010 ( 3.921 -0.000 -14.048) 14.585 6.636 ( 11.544 -0.000 -11.779) 16.492 10.195 ( -9.708 0.000 5.443) 11.129 11.126 ( 11.464 -0.000 -3.365) 11.948 14.812 ( 18.751 -0.000 -1.134) 18.785 15.859 ( 6.531 0.000 14.686) 16.073 16.983 ( -9.118 -0.000 -7.157) 11.592 18.340 ( -11.513 0.000 17.970) 21.342 ======================= Grid point 245 (195/306) ======================= q-point: ( 0.23 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 7.706 6.402 0.293) 10.023 3.300 ( 27.088 1.015 0.819) 27.120 4.597 ( 3.993 3.628 0.443) 5.414 5.251 ( 12.235 9.279 2.125) 15.502 5.558 ( 10.010 -4.692 -2.583) 11.353 5.820 ( 24.718 0.967 -4.121) 25.078 5.874 ( 7.674 -8.302 5.701) 12.662 6.841 ( 2.357 30.773 2.073) 30.932 7.490 ( -3.888 20.518 -0.645) 20.893 9.274 ( -19.480 -21.912 -2.279) 29.407 10.331 ( 22.454 -14.129 1.366) 26.564 13.951 ( -8.436 0.211 -0.357) 8.446 15.635 ( 1.384 -2.100 -8.268) 8.642 16.354 ( -22.430 -2.630 1.458) 22.631 17.942 ( 2.348 -1.606 -0.456) 2.881 ======================= Grid point 246 (196/306) ======================= q-point: (-0.41 -0.39 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -7.202 -7.795 -2.533) 10.911 2.801 ( -20.938 -0.572 0.883) 20.965 4.424 ( -22.529 -4.531 -7.534) 24.184 4.850 ( -15.643 -7.305 8.483) 19.236 5.111 ( -23.219 2.780 -2.795) 23.552 5.254 ( -10.926 -5.116 2.772) 12.379 6.079 ( -7.024 -8.673 -0.313) 11.165 6.151 ( -15.230 -6.461 0.987) 16.573 7.287 ( 19.060 -25.427 -3.566) 31.977 10.004 ( 17.972 20.801 0.541) 27.495 10.242 ( -20.581 13.381 -0.316) 24.550 14.194 ( 17.108 -0.895 -0.967) 17.158 15.166 ( -1.184 -5.100 7.420) 9.081 16.868 ( 19.917 4.137 0.146) 20.343 17.846 ( -9.690 3.515 0.937) 10.350 ======================= Grid point 251 (197/306) ======================= q-point: ( 0.40 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -28.685 4.132 -1.969) 29.047 1.873 ( -10.323 9.222 -0.594) 13.855 2.745 ( 1.209 -0.328 3.094) 3.338 3.963 ( -12.797 -5.808 2.580) 14.288 4.237 ( -9.073 3.108 -2.136) 9.826 4.915 ( -1.583 3.367 -12.517) 13.059 5.669 ( -0.236 -0.010 9.174) 9.177 6.973 ( -5.821 -47.703 7.502) 48.639 8.408 ( -3.010 26.935 -9.528) 28.729 8.792 ( 3.437 6.883 4.953) 9.149 10.449 ( 9.303 -2.299 -0.220) 9.585 15.477 ( 1.445 -2.214 -0.662) 2.725 15.676 ( 27.414 3.965 0.168) 27.699 16.534 ( -16.662 2.399 -0.844) 16.855 16.642 ( -17.900 5.334 0.459) 18.683 ======================= Grid point 252 (198/306) ======================= q-point: (-0.23 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 23.064 -14.481 -0.000) 27.233 3.805 ( 24.885 -0.130 -0.000) 24.885 3.923 ( -16.574 -13.947 -0.000) 21.661 4.509 ( -5.046 2.584 0.000) 5.669 5.566 ( -1.730 -1.509 -0.000) 2.296 5.888 ( -2.915 -6.567 -0.000) 7.185 6.329 ( 9.055 -7.471 -0.000) 11.739 6.430 ( 18.889 1.886 -0.000) 18.983 6.771 ( 22.509 1.733 -0.000) 22.576 9.862 ( -9.390 6.159 0.000) 11.229 11.390 ( 12.646 5.729 -0.000) 13.883 13.908 ( 0.081 0.242 0.000) 0.255 15.809 ( -24.313 0.077 0.000) 24.313 16.207 ( -7.251 2.549 0.000) 7.686 17.959 ( -10.023 0.625 0.000) 10.042 ======================= Grid point 255 (199/306) ======================= q-point: (-0.14 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -12.132 -0.000 -9.051) 15.136 3.237 ( -25.725 -0.000 0.106) 25.725 4.331 ( -1.161 -0.000 -6.046) 6.156 4.603 ( -7.955 -0.000 -0.451) 7.968 5.180 ( -5.670 0.000 7.380) 9.306 5.554 ( 11.011 0.000 7.574) 13.364 6.015 ( -35.777 -0.000 -2.993) 35.902 6.251 ( -7.732 0.000 3.790) 8.611 6.552 ( -5.620 -0.000 -9.773) 11.274 10.274 ( 13.968 -0.000 -2.941) 14.274 11.086 ( -17.090 0.000 2.006) 17.208 13.911 ( 6.830 0.000 0.419) 6.842 15.350 ( -1.854 0.000 15.140) 15.253 16.540 ( 26.534 0.000 2.993) 26.702 18.054 ( 4.652 0.000 1.827) 4.998 ======================= Grid point 257 (200/306) ======================= q-point: (-0.42 -0.58 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( -6.445 -5.054 -0.000) 8.190 3.991 ( -9.503 -2.304 0.000) 9.778 4.732 ( 0.895 -0.603 -0.000) 1.079 4.966 ( 6.111 -18.301 -0.000) 19.294 5.807 ( -7.883 -4.348 0.000) 9.003 5.862 ( 8.031 -20.384 -0.000) 21.909 6.492 ( -2.072 8.482 0.000) 8.731 6.879 ( -7.754 -20.530 -0.000) 21.946 7.215 ( -13.105 -2.592 0.000) 13.359 9.201 ( 5.910 22.386 0.000) 23.152 11.250 ( -7.968 10.767 0.000) 13.395 13.950 ( -7.130 0.621 0.000) 7.157 15.273 ( 21.152 -0.984 -0.000) 21.175 15.534 ( -11.042 -2.390 0.000) 11.298 17.890 ( 4.045 -0.528 -0.000) 4.080 ======================= Grid point 260 (201/306) ======================= q-point: ( 0.31 0.29 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 3.759 1.184 -0.063) 3.942 4.089 ( 10.121 0.704 -0.474) 10.157 4.792 ( 1.047 0.657 -0.974) 1.574 5.515 ( 1.186 8.009 -0.162) 8.098 5.807 ( 4.580 -0.771 1.378) 4.844 5.881 ( 1.339 -6.633 0.299) 6.774 6.743 ( 9.217 6.590 0.532) 11.343 7.568 ( 3.621 15.714 1.735) 16.219 7.704 ( -2.586 16.245 -0.700) 16.465 8.162 ( -4.699 -28.782 -1.738) 29.214 10.849 ( 9.680 -4.995 0.350) 10.898 13.937 ( 6.227 -0.091 -0.049) 6.228 15.321 ( -20.780 0.831 -0.301) 20.799 15.684 ( 2.998 0.259 -1.165) 3.227 17.893 ( -2.581 0.303 0.243) 2.610 ======================= Grid point 261 (202/306) ======================= q-point: (-0.33 -0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -8.965 -6.791 -12.805) 17.043 2.249 ( -6.940 -12.461 -12.937) 19.257 2.774 ( -40.823 0.555 -3.841) 41.007 4.064 ( -17.729 -11.661 12.405) 24.580 4.434 ( -16.300 -14.751 8.397) 23.533 4.616 ( -9.896 -7.094 4.764) 13.075 5.391 ( -11.646 7.954 -4.439) 14.785 6.281 ( 4.731 4.211 3.235) 7.112 7.295 ( 13.504 -22.170 -12.314) 28.731 9.857 ( -11.083 12.052 3.017) 16.649 10.973 ( 12.901 10.760 -0.040) 16.799 14.920 ( 20.843 -2.615 -3.781) 21.344 15.558 ( 12.064 1.231 10.478) 16.026 17.074 ( -11.568 2.501 -5.364) 12.994 17.581 ( -17.613 15.864 5.607) 24.358 ======================= Grid point 263 (203/306) ======================= q-point: ( 0.40 -0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -27.007 2.102 0.000) 27.088 2.786 ( -4.865 -1.595 0.000) 5.120 4.691 ( -44.080 0.356 0.000) 44.081 4.905 ( 4.621 2.120 -0.000) 5.084 5.113 ( -14.621 -2.040 0.000) 14.763 5.119 ( -19.009 -2.403 0.000) 19.160 5.835 ( -7.987 4.995 0.000) 9.420 7.350 ( -6.191 -27.596 -0.000) 28.282 8.017 ( 10.783 5.514 -0.000) 12.111 9.251 ( 26.629 2.921 -0.000) 26.788 9.670 ( -25.956 12.279 0.000) 28.713 14.215 ( 17.247 0.123 -0.000) 17.247 15.429 ( -1.299 -10.689 -0.000) 10.768 16.707 ( 15.786 3.547 -0.000) 16.180 17.755 ( -12.804 0.522 0.000) 12.814 ======================= Grid point 267 (204/306) ======================= q-point: (-0.15 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -4.887 0.000 0.230) 4.892 3.477 ( 18.744 0.000 -0.245) 18.746 4.104 ( -5.161 0.000 1.893) 5.497 4.684 ( 5.834 0.000 0.455) 5.851 5.349 ( -4.294 -0.000 -2.206) 4.828 5.500 ( -8.761 -0.000 0.034) 8.761 6.484 ( 0.142 0.000 0.104) 0.176 6.829 ( 1.982 0.000 1.844) 2.707 7.337 ( 0.009 -0.000 -1.808) 1.808 9.785 ( 1.771 0.000 -0.002) 1.771 11.693 ( -0.670 -0.000 0.000) 0.670 14.071 ( 0.660 -0.000 -0.407) 0.776 15.016 ( -3.249 -0.000 -1.066) 3.419 15.808 ( -12.058 0.000 3.424) 12.534 17.768 ( 1.887 -0.000 -1.723) 2.555 ======================= Grid point 268 (205/306) ======================= q-point: ( 0.21 -0.21 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -6.356 16.298 0.000) 17.494 1.597 ( -42.743 7.273 0.000) 43.357 2.497 ( 0.019 12.566 0.000) 12.566 4.149 ( -12.454 2.144 0.000) 12.637 4.164 ( -11.761 -5.171 0.000) 12.847 4.970 ( 0.416 1.900 0.000) 1.945 5.764 ( 1.061 -9.017 -0.000) 9.079 7.381 ( -3.361 29.500 0.000) 29.691 7.606 ( 9.743 34.013 0.000) 35.381 8.704 ( -7.130 -35.980 -0.000) 36.680 10.992 ( 13.114 -14.868 -0.000) 19.825 15.444 ( 20.887 6.683 -0.000) 21.930 15.652 ( -18.587 -7.599 0.000) 20.081 16.474 ( -13.157 2.032 0.000) 13.313 16.517 ( -12.943 -0.948 0.000) 12.977 ======================= Grid point 272 (206/306) ======================= q-point: (-0.33 -0.47 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -7.483 -8.939 -2.045) 11.836 3.255 ( -23.805 -1.040 0.428) 23.831 4.615 ( -7.823 -2.292 -3.972) 9.068 4.877 ( -3.535 -9.140 -1.635) 9.935 5.171 ( -10.538 -13.349 3.843) 17.436 5.726 ( -12.792 -5.717 2.925) 14.314 6.118 ( -14.298 -3.658 -0.931) 14.788 6.337 ( -12.274 -9.077 4.422) 15.894 6.631 ( 5.153 -1.865 -6.492) 8.496 10.027 ( 15.414 15.153 -0.800) 21.630 10.866 ( -19.023 8.929 0.342) 21.017 13.926 ( 8.129 -0.461 -0.404) 8.152 15.148 ( -5.676 -3.486 8.198) 10.563 16.428 ( 28.941 1.794 2.344) 29.091 17.995 ( -0.690 1.573 0.140) 1.724 ======================= Grid point 275 (207/306) ======================= q-point: (-0.25 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -0.000 -2.825 -19.084) 19.292 1.022 ( 0.000 -27.012 -12.133) 29.612 1.711 ( -0.000 -6.085 -30.939) 31.532 3.756 ( 0.000 -1.112 5.783) 5.889 4.079 ( 0.000 -22.865 32.610) 39.827 4.310 ( -0.000 1.477 -1.731) 2.275 5.536 ( -0.000 22.251 -1.426) 22.297 6.336 ( 0.000 -11.452 -3.205) 11.892 7.193 ( -0.000 -4.268 -8.132) 9.184 9.942 ( -0.000 6.381 5.929) 8.711 11.371 ( -0.000 0.599 0.319) 0.679 15.409 ( -0.000 -0.300 -4.149) 4.160 16.288 ( 0.000 0.235 2.001) 2.015 16.570 ( -0.000 2.458 -2.856) 3.768 16.928 ( -0.000 25.795 -9.439) 27.468 ======================= Grid point 277 (208/306) ======================= q-point: (-0.52 -0.28 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -7.336 3.920 -4.737) 9.571 2.664 ( -1.753 -3.318 3.807) 5.346 2.784 ( -44.751 1.267 -3.485) 44.905 4.186 ( -19.991 -6.140 3.723) 21.242 4.493 ( -11.515 1.376 -3.431) 12.094 5.060 ( -3.174 4.987 -7.112) 9.248 5.732 ( -4.925 0.750 3.787) 6.257 6.234 ( -10.629 -40.809 10.106) 43.365 8.391 ( 12.916 -15.191 -5.347) 20.644 9.178 ( -13.254 20.003 -1.712) 24.057 10.342 ( 15.003 14.906 2.637) 21.312 15.119 ( 25.123 -1.598 -2.969) 25.348 15.377 ( 7.621 -2.033 4.180) 8.926 17.002 ( -13.074 4.864 -1.826) 14.068 17.062 ( -16.994 7.706 0.692) 18.673 ======================= Grid point 278 (209/306) ======================= q-point: (-0.16 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 22.274 0.000 -0.000) 22.274 3.210 ( 33.540 0.000 -0.000) 33.540 4.131 ( -16.495 -0.000 0.000) 16.495 4.689 ( -8.146 -0.000 0.000) 8.146 5.465 ( 17.792 0.000 -0.000) 17.792 5.839 ( 0.227 0.000 -0.000) 0.227 5.894 ( 27.194 0.000 -0.000) 27.194 6.007 ( 15.431 0.000 -0.000) 15.431 6.465 ( 11.537 0.000 -0.000) 11.537 10.148 ( -13.397 -0.000 0.000) 13.397 11.167 ( 15.467 0.000 -0.000) 15.467 13.981 ( -7.016 -0.000 0.000) 7.016 16.249 ( -18.920 -0.000 0.000) 18.920 16.353 ( -4.664 -0.000 0.000) 4.664 18.218 ( -13.847 -0.000 0.000) 13.847 ======================= Grid point 283 (210/306) ======================= q-point: (-0.34 0.34 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( -2.089 -3.130 -0.000) 3.763 4.090 ( -4.626 -0.811 0.000) 4.696 4.219 ( 12.726 -31.314 -0.000) 33.801 4.660 ( 6.227 -0.240 -0.000) 6.232 5.529 ( -1.947 -8.327 -0.000) 8.552 5.825 ( -7.691 -9.055 -0.000) 11.880 6.656 ( -2.230 -12.249 -0.000) 12.451 6.658 ( 2.229 7.403 0.000) 7.731 7.341 ( 0.203 0.182 0.000) 0.273 9.495 ( 1.254 14.519 0.000) 14.573 11.520 ( -0.104 8.418 0.000) 8.419 14.060 ( 0.511 0.709 0.000) 0.874 15.044 ( -2.950 -0.634 0.000) 3.017 15.758 ( -12.670 0.442 0.000) 12.678 17.807 ( 1.875 -0.939 -0.000) 2.097 ======================= Grid point 285 (211/306) ======================= q-point: (-0.61 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 5.936 -1.521 0.059) 6.128 3.791 ( 20.416 0.062 0.318) 20.419 4.730 ( 2.376 -3.119 -2.299) 4.545 5.557 ( -0.014 -4.855 2.851) 5.630 5.649 ( 8.758 -0.715 -0.776) 8.821 5.796 ( 6.122 7.765 -1.000) 9.939 6.408 ( 23.164 -2.876 -0.219) 23.343 7.466 ( 2.939 -23.795 -0.899) 23.993 7.720 ( 0.076 -7.680 -0.580) 7.702 8.439 ( -17.973 22.968 1.972) 29.231 10.556 ( 18.590 4.851 -0.339) 19.216 13.865 ( 0.011 0.151 0.095) 0.179 15.639 ( 1.693 0.661 2.152) 2.817 15.827 ( -24.673 2.235 -0.167) 24.775 17.938 ( -1.526 -0.234 -0.007) 1.544 ======================= Grid point 286 (212/306) ======================= q-point: (-0.25 -0.35 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -10.614 -11.850 -14.340) 21.417 2.301 ( -16.519 -2.496 -9.633) 19.285 3.635 ( -39.442 1.153 -0.987) 39.471 4.073 ( -19.461 -17.799 14.392) 30.044 4.660 ( -20.606 -2.937 9.940) 23.066 4.861 ( -13.014 4.670 -2.206) 14.001 5.760 ( -12.497 4.269 -0.918) 13.238 6.165 ( 8.339 -5.417 -2.497) 10.253 6.713 ( 11.492 -7.520 -11.656) 18.013 10.292 ( -15.109 5.196 3.081) 16.272 10.866 ( 14.664 6.599 -2.056) 16.211 14.474 ( 19.341 -1.125 -2.091) 19.487 15.396 ( 5.552 -0.019 15.722) 16.673 17.206 ( 2.883 1.518 -5.918) 6.756 18.038 ( -4.204 7.577 11.221) 14.178 ======================= Grid point 288 (213/306) ======================= q-point: (-0.53 -0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( -6.180 -5.240 -0.000) 8.103 3.284 ( -25.899 -0.543 0.000) 25.904 4.824 ( 3.238 -1.465 -0.000) 3.554 5.086 ( -10.764 -8.595 -0.000) 13.775 5.433 ( -13.857 -0.362 0.000) 13.862 5.686 ( -30.748 5.993 0.000) 31.327 6.144 ( -9.517 6.611 0.000) 11.588 6.955 ( -11.375 -28.944 -0.000) 31.099 7.470 ( 15.419 -26.291 -0.000) 30.479 9.158 ( 17.928 26.541 0.000) 32.029 10.405 ( -21.372 13.233 0.000) 25.137 13.944 ( 9.129 -0.288 -0.000) 9.133 15.304 ( -5.077 -8.008 -0.000) 9.481 16.337 ( 25.782 1.615 -0.000) 25.833 17.938 ( -3.953 1.086 0.000) 4.099 ======================= Grid point 291 (214/306) ======================= q-point: ( 0.20 -0.60 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -4.546 3.094 0.218) 5.503 4.091 ( -9.381 0.598 0.849) 9.438 4.703 ( -2.785 3.952 -3.509) 5.973 5.319 ( 1.836 15.982 1.031) 16.120 5.842 ( -5.273 -0.015 1.495) 5.481 5.970 ( 0.877 -3.809 -1.522) 4.195 6.458 ( -4.160 14.223 -1.589) 14.904 7.264 ( -11.812 8.799 -0.105) 14.730 7.426 ( 0.659 17.752 1.708) 17.846 8.738 ( 6.338 -25.981 0.543) 26.749 11.005 ( -9.478 -10.819 -0.381) 14.388 13.943 ( -6.186 -0.348 0.103) 6.197 15.305 ( 19.719 1.263 0.713) 19.772 15.769 ( 0.676 -3.556 2.826) 4.592 17.870 ( 2.868 1.350 -0.211) 3.177 ======================= Grid point 292 (215/306) ======================= q-point: (-0.44 -0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -0.000 -0.612 -10.790) 10.808 1.836 ( -0.000 -2.378 -13.070) 13.284 2.589 ( 0.000 -9.926 -6.970) 12.129 3.723 ( 0.000 -3.812 5.768) 6.913 4.249 ( -0.000 3.506 -2.219) 4.149 4.883 ( 0.000 -10.826 1.717) 10.961 5.004 ( 0.000 -23.811 9.565) 25.660 6.285 ( 0.000 4.130 10.319) 11.115 8.091 ( 0.000 -24.225 -10.593) 26.440 9.323 ( -0.000 19.900 1.088) 19.930 11.021 ( -0.000 13.465 4.488) 14.193 15.498 ( -0.000 0.350 -3.250) 3.269 16.236 ( 0.000 -0.012 1.792) 1.792 16.372 ( -0.000 9.107 -8.480) 12.444 16.546 ( -0.000 6.763 -2.793) 7.317 ======================= Grid point 294 (216/306) ======================= q-point: ( 0.29 -0.29 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -13.242 11.044 0.000) 17.243 2.576 ( -23.703 5.229 0.000) 24.273 2.739 ( -27.072 3.468 0.000) 27.293 4.381 ( -19.062 -4.655 0.000) 19.622 4.485 ( -16.824 1.087 0.000) 16.859 4.993 ( 2.010 2.648 0.000) 3.324 5.629 ( -2.305 -4.929 -0.000) 5.442 7.720 ( 0.848 -12.651 -0.000) 12.679 8.047 ( 11.872 31.001 0.000) 33.196 8.479 ( -22.313 -1.427 0.000) 22.359 10.376 ( 19.035 -14.244 -0.000) 23.774 15.069 ( 25.065 3.345 -0.000) 25.287 15.639 ( -2.227 -10.956 -0.000) 11.180 16.772 ( -7.517 5.061 0.000) 9.062 16.929 ( -25.239 0.061 0.000) 25.239 ======================= Grid point 298 (217/306) ======================= q-point: (-0.26 -0.54 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( -10.348 -6.055 -1.692) 12.108 3.661 ( -18.292 -0.860 1.573) 18.379 4.590 ( 15.072 -9.511 -12.130) 21.559 4.712 ( -2.554 1.416 -0.950) 3.071 5.173 ( -8.373 -5.655 4.177) 10.933 5.372 ( 1.919 -15.339 9.294) 18.038 6.331 ( -8.096 -0.709 1.452) 8.255 6.730 ( -10.077 1.168 -2.632) 10.480 6.736 ( -20.763 2.371 -1.712) 20.968 9.985 ( 11.665 7.811 -1.204) 14.090 11.335 ( -14.503 4.343 0.557) 15.149 13.860 ( -1.827 0.026 -0.163) 1.834 15.242 ( -7.714 -1.603 4.645) 9.146 15.857 ( 27.900 0.409 6.184) 28.580 17.963 ( 4.825 0.180 -1.202) 4.976 ======================= Grid point 301 (218/306) ======================= q-point: (-0.17 -0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -11.762 -0.000 -16.222) 20.037 1.326 ( -22.558 -0.000 -19.773) 29.998 1.824 ( -23.957 -0.000 -22.857) 33.112 3.905 ( -6.350 0.000 29.915) 30.582 3.967 ( -19.452 0.000 9.061) 21.459 4.432 ( -10.067 -0.000 -0.767) 10.096 5.792 ( 8.557 0.000 7.593) 11.440 6.069 ( 1.992 -0.000 -17.226) 17.341 6.924 ( 17.215 -0.000 -12.252) 21.130 10.049 ( -4.897 0.000 6.218) 7.915 11.307 ( 6.337 -0.000 -3.255) 7.124 15.177 ( 17.443 -0.000 -3.557) 17.802 16.050 ( 13.093 0.000 6.938) 14.817 16.752 ( -12.534 -0.000 -4.636) 13.364 17.859 ( -37.041 0.000 17.413) 40.929 ======================= Grid point 302 (219/306) ======================= q-point: ( 0.19 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 7.079 4.771 -0.103) 8.537 3.788 ( 20.707 0.378 -0.883) 20.729 4.652 ( 2.283 4.200 3.562) 5.961 5.348 ( -0.139 13.488 -0.698) 13.507 5.718 ( 7.130 -2.704 -2.729) 8.099 5.949 ( 3.168 -7.013 2.946) 8.240 6.293 ( 14.779 8.323 1.479) 17.026 6.985 ( 12.922 19.361 1.593) 23.332 7.442 ( -1.238 19.572 -2.346) 19.751 8.938 ( -13.733 -24.787 -1.385) 28.371 10.734 ( 17.369 -12.000 0.803) 21.127 13.869 ( 0.181 -0.187 -0.345) 0.432 15.630 ( -5.146 1.173 -5.051) 7.305 15.901 ( -18.883 -4.791 -0.920) 19.503 17.932 ( -2.574 0.331 0.132) 2.598 ======================= Grid point 303 (220/306) ======================= q-point: (-0.44 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -14.023 -1.334 -6.014) 15.317 2.574 ( -3.320 -5.696 2.074) 6.912 3.729 ( -43.787 -0.673 -4.778) 44.052 4.459 ( -20.879 -7.904 7.257) 23.475 4.768 ( -13.284 2.535 -4.380) 14.215 5.103 ( -6.788 -13.234 0.958) 14.904 5.768 ( -18.765 -19.032 2.921) 26.887 6.030 ( -1.955 7.239 2.556) 7.922 7.657 ( 17.584 -24.708 -5.484) 30.818 9.847 ( -17.951 15.232 -0.197) 23.543 10.366 ( 17.218 18.459 1.093) 25.266 14.599 ( 23.044 -1.375 -2.547) 23.226 15.194 ( 4.236 -3.804 7.485) 9.404 17.146 ( 7.169 5.686 -1.603) 9.290 17.580 ( -16.593 6.280 2.057) 17.860 ======================= Grid point 308 (221/306) ======================= q-point: ( 0.37 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -0.000 5.592 -2.117) 5.979 1.853 ( -0.000 9.711 -1.311) 9.799 2.760 ( 0.000 -0.173 3.265) 3.270 3.829 ( 0.000 -5.945 2.706) 6.531 4.142 ( -0.000 3.972 -1.869) 4.390 4.899 ( -0.000 2.920 -13.991) 14.292 5.667 ( 0.000 -0.483 9.973) 9.985 6.911 ( 0.000 -48.763 7.921) 49.402 8.371 ( -0.000 28.073 -8.448) 29.317 8.839 ( -0.000 6.054 4.288) 7.419 10.543 ( 0.000 -2.955 -0.503) 2.997 15.490 ( -0.000 1.957 -0.437) 2.005 16.178 ( -0.000 10.250 0.224) 10.253 16.235 ( 0.000 -1.027 0.241) 1.055 16.358 ( -0.000 0.835 -1.263) 1.514 ======================= Grid point 309 (222/306) ======================= q-point: (-0.26 0.26 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 21.373 -7.762 -0.000) 22.739 3.629 ( -10.755 -17.789 -0.000) 20.787 4.121 ( 4.655 0.295 -0.000) 4.664 4.506 ( 6.533 1.118 -0.000) 6.628 5.500 ( -4.220 -2.455 0.000) 4.882 5.785 ( -7.078 -8.805 -0.000) 11.298 6.468 ( 4.678 -4.725 -0.000) 6.649 6.672 ( 7.713 3.436 -0.000) 8.444 7.188 ( 15.959 0.743 -0.000) 15.977 9.730 ( -3.789 6.840 0.000) 7.819 11.586 ( 6.747 4.958 0.000) 8.373 13.975 ( 5.960 0.268 -0.000) 5.966 15.328 ( -22.272 -0.012 0.000) 22.272 16.023 ( -11.277 1.436 0.000) 11.368 17.812 ( -4.257 -0.360 0.000) 4.272 ======================= Grid point 312 (223/306) ======================= q-point: (-0.17 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -10.908 -0.000 -13.585) 17.422 2.717 ( -25.320 -0.000 -3.788) 25.602 4.182 ( -12.550 0.000 6.243) 14.017 4.322 ( -22.728 0.000 0.844) 22.744 4.992 ( -13.658 0.000 9.369) 16.563 5.334 ( -29.348 -0.000 -4.427) 29.680 5.816 ( 13.989 -0.000 -0.543) 13.999 6.048 ( -12.079 0.000 3.669) 12.624 6.530 ( 3.341 -0.000 -12.267) 12.714 10.531 ( 6.740 -0.000 -2.546) 7.205 10.773 ( -8.963 0.000 2.319) 9.258 14.125 ( 14.317 -0.000 -0.427) 14.323 15.334 ( 0.756 0.000 17.427) 17.443 17.005 ( 18.441 -0.000 -1.974) 18.547 18.115 ( 1.572 0.000 7.041) 7.215 ======================= Grid point 314 (224/306) ======================= q-point: (-0.45 -0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -7.626 -6.852 -0.000) 10.252 3.711 ( -18.747 -2.043 0.000) 18.858 4.748 ( 1.084 -1.355 -0.000) 1.735 5.030 ( -0.294 -9.182 -0.000) 9.187 5.620 ( -10.732 -5.906 0.000) 12.249 6.017 ( 2.834 -17.351 -0.000) 17.581 6.418 ( -5.379 9.339 0.000) 10.777 6.686 ( -11.656 -21.136 -0.000) 24.137 6.913 ( -12.258 -10.457 -0.000) 16.112 9.376 ( 11.569 23.071 0.000) 25.809 11.015 ( -15.248 11.084 0.000) 18.851 13.858 ( -0.842 0.103 0.000) 0.848 15.324 ( -9.673 -4.779 0.000) 10.789 15.791 ( 28.987 -0.156 -0.000) 28.987 17.962 ( 2.500 0.368 -0.000) 2.527 ======================= Grid point 317 (225/306) ======================= q-point: ( 0.28 -0.68 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 0.048 0.890 0.005) 0.891 4.191 ( 0.220 0.452 -0.602) 0.784 4.797 ( -0.552 1.501 -1.498) 2.191 5.538 ( 0.839 7.807 1.433) 7.982 5.845 ( -1.059 -3.852 0.006) 3.994 5.893 ( 0.417 -2.770 0.650) 2.876 6.821 ( -0.558 10.672 -0.282) 10.691 7.615 ( -1.823 16.837 -0.427) 16.940 7.660 ( 1.750 7.810 0.800) 8.044 8.139 ( 0.634 -26.347 -0.357) 26.357 10.945 ( -0.134 -4.570 0.063) 4.572 14.025 ( -0.004 -0.168 -0.020) 0.170 15.085 ( 0.129 0.401 -0.152) 0.448 15.723 ( 0.661 -0.686 -0.010) 0.953 17.863 ( -0.097 0.573 0.107) 0.591 ======================= Grid point 318 (226/306) ======================= q-point: (-0.36 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -12.877 -4.592 -14.616) 20.013 1.824 ( -23.808 -8.194 -11.838) 27.823 2.383 ( -1.881 -8.497 -12.246) 15.023 3.772 ( -10.916 -5.931 9.428) 15.596 4.160 ( -10.227 -31.567 19.611) 38.544 4.412 ( -9.289 -2.172 1.700) 9.690 5.242 ( -3.781 13.640 -5.555) 15.205 6.360 ( 2.917 4.734 4.533) 7.174 7.530 ( 9.382 -21.697 -10.394) 25.823 9.694 ( -5.319 12.219 3.973) 13.906 11.177 ( 7.268 9.805 0.892) 12.238 15.303 ( 16.751 -1.449 -4.448) 17.392 15.891 ( 20.877 1.791 4.208) 21.372 16.768 ( -16.712 4.433 -3.662) 17.674 17.132 ( -26.454 14.956 -0.852) 30.401 ======================= Grid point 320 (227/306) ======================= q-point: ( 0.37 -0.37 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -19.892 5.257 0.000) 20.575 2.709 ( -2.804 -1.140 0.000) 3.026 3.739 ( -49.868 2.343 0.000) 49.923 4.699 ( -21.566 -6.196 0.000) 22.439 4.815 ( -15.534 -1.073 0.000) 15.571 5.002 ( 3.810 5.323 0.000) 6.546 5.693 ( -6.297 3.160 0.000) 7.046 7.214 ( -7.625 -36.256 -0.000) 37.049 8.253 ( 12.530 9.809 0.000) 15.913 9.173 ( -23.070 16.956 0.000) 28.631 9.759 ( 23.785 -0.541 -0.000) 23.791 14.622 ( 23.292 0.984 -0.000) 23.312 15.426 ( 0.818 -10.423 -0.000) 10.455 16.915 ( 4.716 5.579 0.000) 7.305 17.416 ( -20.806 1.512 0.000) 20.860 ======================= Grid point 324 (228/306) ======================= q-point: (-0.18 -0.62 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -12.791 -0.000 -0.167) 12.792 3.945 ( -11.051 0.000 2.490) 11.328 4.000 ( 28.572 -0.000 -6.825) 29.376 4.750 ( 0.993 -0.000 -0.240) 1.022 5.262 ( -4.480 -0.000 -0.492) 4.507 5.310 ( -9.945 0.000 5.015) 11.138 6.445 ( -4.028 0.000 0.611) 4.074 6.826 ( -1.958 0.000 0.234) 1.972 7.176 ( -15.751 -0.000 -1.843) 15.858 9.874 ( 7.105 -0.000 -0.741) 7.143 11.605 ( -8.107 0.000 0.310) 8.113 13.972 ( -7.868 -0.000 -0.398) 7.878 15.187 ( 14.980 -0.000 -2.282) 15.153 15.595 ( -6.016 0.000 10.159) 11.807 17.850 ( 5.660 -0.000 -1.951) 5.986 ======================= Grid point 325 (229/306) ======================= q-point: ( 0.18 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.000 10.921 0.000) 10.921 1.246 ( -0.000 17.915 0.000) 17.915 2.503 ( -0.000 13.019 0.000) 13.019 4.018 ( -0.000 3.279 0.000) 3.279 4.040 ( 0.000 -5.566 -0.000) 5.566 4.975 ( -0.000 2.339 0.000) 2.339 5.778 ( 0.000 -10.346 -0.000) 10.346 7.344 ( -0.000 30.070 0.000) 30.070 7.712 ( -0.000 32.648 0.000) 32.648 8.635 ( 0.000 -37.225 -0.000) 37.225 11.135 ( 0.000 -16.834 -0.000) 16.834 15.401 ( -0.000 2.166 0.000) 2.166 15.711 ( -0.000 10.449 0.000) 10.449 16.283 ( 0.000 -1.179 -0.000) 1.179 16.411 ( 0.000 -2.099 -0.000) 2.099 ======================= Grid point 329 (230/306) ======================= q-point: (-0.37 -0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -5.952 -8.990 -4.131) 11.546 2.789 ( -21.390 -0.559 -0.506) 21.403 4.336 ( -21.677 -4.774 -6.014) 22.997 4.673 ( -17.509 -12.554 5.620) 22.266 4.953 ( -12.121 -14.188 5.672) 19.504 5.227 ( -26.597 4.443 -3.078) 27.141 5.903 ( -11.391 -0.997 3.548) 11.973 6.195 ( -2.934 -2.780 -0.428) 4.064 6.864 ( 16.058 -14.457 -6.025) 22.431 10.351 ( 15.650 13.636 -1.011) 20.782 10.477 ( -18.492 10.418 1.019) 21.249 14.176 ( 16.653 -0.931 -1.523) 16.748 15.083 ( -0.602 -3.332 9.686) 10.261 16.944 ( 21.748 3.427 0.257) 22.018 17.918 ( -7.259 3.570 1.986) 8.330 ======================= Grid point 334 (231/306) ======================= q-point: (-0.55 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -30.112 2.767 -5.007) 30.651 2.030 ( -6.287 6.344 -4.570) 10.033 2.699 ( 1.577 -4.003 3.305) 5.425 3.848 ( -12.807 -5.717 3.484) 14.451 4.297 ( -7.480 2.920 -2.066) 8.291 5.007 ( -2.003 5.579 -12.149) 13.518 5.632 ( -4.575 -14.124 3.896) 15.349 6.079 ( -4.799 -31.417 15.055) 35.167 8.598 ( 7.458 -13.674 -5.357) 16.471 8.984 ( -6.265 19.864 -1.071) 20.856 10.575 ( 8.095 13.302 2.550) 15.779 15.437 ( 7.943 -1.700 -1.659) 8.291 15.745 ( 27.070 2.845 0.919) 27.234 16.603 ( -18.351 4.668 -1.486) 18.994 16.770 ( -18.533 7.459 -0.825) 19.994 ======================= Grid point 335 (232/306) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 25.748 0.000 -0.000) 25.748 3.787 ( -17.603 -0.000 0.000) 17.603 3.804 ( 25.004 0.000 -0.000) 25.004 4.542 ( -5.883 -0.000 0.000) 5.883 5.552 ( -2.099 -0.000 0.000) 2.099 5.800 ( -4.007 -0.000 0.000) 4.007 6.269 ( 10.697 0.000 -0.000) 10.697 6.447 ( 20.313 0.000 -0.000) 20.313 6.791 ( 21.436 0.000 -0.000) 21.436 9.923 ( -8.990 -0.000 0.000) 8.990 11.447 ( 12.199 0.000 -0.000) 12.199 13.910 ( 0.098 0.000 -0.000) 0.098 15.810 ( -24.302 -0.000 0.000) 24.302 16.232 ( -7.714 -0.000 0.000) 7.714 17.966 ( -10.870 -0.000 0.000) 10.870 ======================= Grid point 340 (233/306) ======================= q-point: (-0.37 -0.63 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -8.940 -5.951 0.000) 10.739 3.950 ( -9.976 -1.774 0.000) 10.133 4.568 ( 19.365 -20.732 -0.000) 28.370 4.724 ( 0.804 -0.027 -0.000) 0.804 5.515 ( 1.067 -13.435 -0.000) 13.477 5.642 ( -10.604 -12.251 -0.000) 16.203 6.568 ( -6.613 -10.068 -0.000) 12.046 6.667 ( -1.134 7.936 0.000) 8.017 7.189 ( -15.026 -0.388 0.000) 15.031 9.576 ( 6.800 15.351 0.000) 16.790 11.438 ( -8.059 8.023 0.000) 11.371 13.963 ( -7.568 0.611 0.000) 7.593 15.255 ( 21.474 -0.830 -0.000) 21.490 15.493 ( -13.395 -1.729 0.000) 13.506 17.881 ( 4.806 -0.414 -0.000) 4.824 ======================= Grid point 343 (234/306) ======================= q-point: (-0.65 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 3.718 -1.031 0.075) 3.859 4.097 ( 9.922 0.022 0.178) 9.924 4.772 ( 1.844 -2.593 -2.703) 4.175 5.548 ( -0.422 -6.425 2.747) 7.001 5.783 ( 4.866 1.790 -0.777) 5.242 5.880 ( 2.212 4.658 0.213) 5.161 6.728 ( 9.425 -8.234 -0.877) 12.546 7.544 ( 4.209 -17.619 -0.490) 18.121 7.713 ( -1.642 -12.231 0.170) 12.342 8.192 ( -6.427 28.393 1.026) 29.129 10.843 ( 9.962 4.512 -0.145) 10.937 13.938 ( 6.141 0.162 0.019) 6.143 15.324 ( -20.768 -0.484 -0.013) 20.773 15.709 ( 1.776 2.281 1.158) 3.114 17.890 ( -2.503 -0.612 -0.034) 2.577 ======================= Grid point 344 (235/306) ======================= q-point: (-0.28 -0.32 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -11.012 -14.109 -16.567) 24.388 2.073 ( -8.283 -4.619 -16.836) 19.324 2.784 ( -41.853 0.442 -5.080) 42.162 3.713 ( -16.002 -17.644 22.936) 33.067 4.225 ( -22.367 -4.196 10.155) 24.920 4.631 ( -10.987 2.143 0.375) 11.200 5.571 ( -6.050 8.722 -2.672) 10.946 6.311 ( 6.212 -1.619 -3.740) 7.429 6.956 ( 12.478 -11.069 -10.574) 19.749 10.028 ( -10.930 5.485 4.528) 13.040 11.136 ( 11.875 5.659 -2.057) 13.315 14.880 ( 20.907 -1.339 -4.066) 21.341 15.576 ( 12.906 0.568 11.357) 17.200 17.113 ( -10.977 1.403 -6.316) 12.742 17.865 ( -14.759 11.431 12.115) 22.255 ======================= Grid point 346 (236/306) ======================= q-point: (-0.56 -0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -4.614 -5.272 -0.000) 7.006 2.768 ( -24.683 1.228 0.000) 24.713 4.658 ( -36.460 -3.203 0.000) 36.600 4.831 ( -5.654 -7.370 -0.000) 9.289 5.116 ( -20.079 2.010 0.000) 20.180 5.174 ( -9.218 4.962 0.000) 10.469 5.972 ( -8.333 8.441 0.000) 11.861 6.706 ( -13.555 -35.005 -0.000) 37.537 7.808 ( 17.686 -21.474 -0.000) 27.819 9.550 ( 20.867 22.381 0.000) 30.600 9.960 ( -22.698 15.436 0.000) 27.450 14.214 ( 17.696 -0.201 -0.000) 17.697 15.236 ( -1.590 -8.764 -0.000) 8.907 16.783 ( 18.169 4.048 -0.000) 18.615 17.783 ( -11.832 2.187 0.000) 12.033 ======================= Grid point 352 (237/306) ======================= q-point: ( 0.26 -0.26 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -3.569 14.650 0.000) 15.078 1.734 ( -39.274 6.556 0.000) 39.818 2.667 ( 0.699 4.977 0.000) 5.026 4.055 ( -12.537 -5.889 0.000) 13.851 4.201 ( -10.813 2.920 0.000) 11.200 5.025 ( 1.129 3.581 0.000) 3.755 5.597 ( -0.882 -7.018 -0.000) 7.074 7.730 ( 0.140 -20.852 -0.000) 20.853 8.131 ( -12.043 4.607 0.000) 12.894 8.253 ( 8.083 29.794 0.000) 30.871 10.681 ( 11.075 -15.485 -0.000) 19.038 15.543 ( -7.077 -3.923 0.000) 8.092 15.572 ( 24.663 6.011 -0.000) 25.385 16.513 ( -14.282 0.600 0.000) 14.295 16.532 ( -15.834 4.007 0.000) 16.333 ======================= Grid point 356 (238/306) ======================= q-point: (-0.29 -0.51 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -7.784 -6.394 -3.961) 10.824 3.238 ( -23.324 -0.654 0.359) 23.336 4.550 ( -12.669 -5.931 -3.359) 14.386 4.685 ( -6.153 -6.252 -6.367) 10.839 5.021 ( -7.941 -1.913 7.954) 11.401 5.539 ( 10.955 -11.210 5.552) 16.628 6.081 ( -22.813 -1.232 -1.242) 22.880 6.194 ( -17.109 -2.848 2.754) 17.561 6.690 ( -0.123 3.735 -6.397) 7.408 10.253 ( 14.919 7.629 -1.666) 16.839 11.001 ( -18.443 4.639 1.113) 19.050 13.918 ( 7.719 -0.290 -0.580) 7.747 15.096 ( -5.805 -1.784 9.321) 11.124 16.456 ( 30.139 1.040 2.957) 30.301 18.022 ( 0.661 1.002 0.327) 1.244 ======================= Grid point 359 (239/306) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -0.000 -0.000 -15.296) 15.296 0.936 ( -0.000 -0.000 -20.472) 20.472 1.666 ( -0.000 -0.000 -32.768) 32.768 3.745 ( 0.000 0.000 5.876) 5.876 3.839 ( 0.000 0.000 31.481) 31.481 4.325 ( -0.000 -0.000 -1.658) 1.658 5.896 ( 0.000 0.000 13.850) 13.850 6.089 ( -0.000 -0.000 -18.219) 18.219 7.166 ( -0.000 -0.000 -3.711) 3.711 10.000 ( 0.000 0.000 6.494) 6.494 11.371 ( -0.000 -0.000 -3.206) 3.206 15.406 ( -0.000 -0.000 -4.303) 4.303 16.290 ( 0.000 0.000 2.062) 2.062 16.591 ( -0.000 -0.000 -2.847) 2.847 17.246 ( 0.000 0.000 3.652) 3.652 ======================= Grid point 361 (240/306) ======================= q-point: (-0.47 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -5.811 0.991 -8.924) 10.696 2.560 ( 1.095 -6.514 1.902) 6.874 2.815 ( -45.741 1.593 -3.627) 45.912 4.055 ( -19.064 -7.524 5.644) 21.258 4.525 ( -11.031 1.546 -3.132) 11.570 4.951 ( -9.049 -28.871 3.043) 30.408 5.422 ( -14.566 -7.817 -3.366) 16.870 6.013 ( -0.104 8.034 8.624) 11.787 7.971 ( 13.576 -24.497 -6.187) 28.683 9.541 ( -12.496 15.973 0.430) 20.285 10.675 ( 13.359 17.034 1.393) 21.693 15.073 ( 22.499 -2.569 -5.127) 23.218 15.357 ( 13.727 -0.307 7.252) 15.528 17.097 ( -14.436 4.804 -3.550) 15.623 17.243 ( -14.193 10.174 2.698) 17.670 ======================= Grid point 367 (241/306) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( -4.157 -2.057 0.000) 4.639 3.689 ( 19.445 -20.253 -0.000) 28.076 4.081 ( -5.651 -0.107 0.000) 5.652 4.667 ( 6.505 0.785 -0.000) 6.552 5.412 ( -4.392 -3.753 -0.000) 5.777 5.613 ( -10.161 -10.224 -0.000) 14.414 6.511 ( -0.339 -3.441 -0.000) 3.457 6.771 ( 2.543 3.808 0.000) 4.579 7.351 ( 0.041 0.588 0.000) 0.590 9.712 ( 1.950 7.364 0.000) 7.617 11.649 ( -0.628 4.441 0.000) 4.485 14.072 ( 0.742 0.425 -0.000) 0.855 15.034 ( -3.499 -0.376 0.000) 3.520 15.764 ( -14.465 0.171 0.000) 14.466 17.793 ( 2.100 -0.467 -0.000) 2.151 ======================= Grid point 370 (242/306) ======================= q-point: (-0.21 -0.39 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -11.724 -0.000 -17.676) 21.211 2.279 ( -17.566 -0.000 -9.885) 20.157 3.662 ( -41.541 -0.000 -2.084) 41.593 3.874 ( -17.490 0.000 17.253) 24.567 4.634 ( -21.170 0.000 10.461) 23.613 4.914 ( -14.876 -0.000 -1.537) 14.955 5.815 ( -10.180 0.000 0.432) 10.189 6.076 ( 11.641 -0.000 -6.459) 13.313 6.656 ( 8.619 -0.000 -10.721) 13.756 10.343 ( -14.755 0.000 3.336) 15.127 10.932 ( 14.045 -0.000 -2.428) 14.253 14.463 ( 19.147 -0.000 -2.086) 19.260 15.396 ( 5.835 0.000 16.159) 17.180 17.221 ( 2.629 -0.000 -6.204) 6.739 18.117 ( -1.891 0.000 13.040) 13.176 ======================= Grid point 372 (243/306) ======================= q-point: (-0.48 -0.52 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -6.498 -7.589 -0.000) 9.991 3.269 ( -24.501 -0.928 0.000) 24.519 4.763 ( -0.512 -4.175 -0.000) 4.206 4.943 ( -8.968 -5.614 0.000) 10.580 5.391 ( -11.693 -6.113 0.000) 13.194 5.753 ( -27.676 0.580 0.000) 27.683 6.283 ( -7.245 5.972 0.000) 9.389 6.416 ( -15.331 -22.619 -0.000) 27.325 6.954 ( 14.723 -23.117 -0.000) 27.408 9.654 ( 16.036 22.668 0.000) 27.767 10.660 ( -19.940 11.897 0.000) 23.219 13.938 ( 8.923 -0.312 -0.000) 8.928 15.162 ( -6.258 -6.269 -0.000) 8.858 16.370 ( 27.994 1.631 -0.000) 28.042 17.964 ( -2.822 1.507 0.000) 3.199 ======================= Grid point 376 (244/306) ======================= q-point: (-0.39 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -0.000 -0.960 -13.987) 14.020 1.709 ( -0.000 -12.286 -14.340) 18.883 2.383 ( -0.000 -9.453 -15.051) 17.773 3.658 ( 0.000 -2.681 6.443) 6.979 4.055 ( 0.000 -41.465 27.000) 49.481 4.309 ( -0.000 2.525 -1.888) 3.153 5.210 ( -0.000 15.487 -5.119) 16.311 6.390 ( 0.000 4.878 4.968) 6.963 7.631 ( 0.000 -21.066 -8.416) 22.685 9.642 ( -0.000 12.228 4.408) 12.998 11.251 ( -0.000 9.438 1.457) 9.549 15.504 ( -0.000 0.200 -4.191) 4.196 16.237 ( 0.000 0.058 2.312) 2.312 16.553 ( -0.000 7.105 -4.275) 8.292 16.724 ( -0.000 12.678 -5.767) 13.928 ======================= Grid point 378 (245/306) ======================= q-point: ( 0.34 -0.34 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -9.155 9.130 0.000) 12.929 2.640 ( -15.753 1.053 0.000) 15.788 2.787 ( -33.073 1.783 0.000) 33.121 4.274 ( -20.209 -6.080 0.000) 21.104 4.509 ( -14.651 1.254 0.000) 14.704 5.067 ( 2.661 4.626 0.000) 5.337 5.585 ( -4.490 1.103 0.000) 4.624 7.048 ( -8.706 -44.579 -0.000) 45.421 8.498 ( 11.599 11.536 0.000) 16.358 8.782 ( -15.735 21.577 0.000) 26.705 10.178 ( 17.830 -2.942 -0.000) 18.071 15.126 ( 26.885 2.295 -0.000) 26.983 15.454 ( 1.796 -7.856 -0.000) 8.059 16.889 ( -7.296 6.682 0.000) 9.894 16.960 ( -23.623 2.983 0.000) 23.810 ======================= Grid point 382 (246/306) ======================= q-point: (-0.21 -0.59 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -10.603 -0.000 -2.287) 10.847 3.653 ( -18.328 0.000 1.694) 18.406 4.488 ( 15.670 -0.000 -14.380) 21.269 4.735 ( -2.391 -0.000 -0.816) 2.526 5.159 ( -1.195 0.000 13.225) 13.279 5.165 ( -5.551 0.000 2.388) 6.043 6.327 ( -7.685 0.000 1.996) 7.940 6.722 ( -24.430 -0.000 -2.044) 24.516 6.780 ( -6.659 -0.000 -2.786) 7.218 10.063 ( 11.655 -0.000 -1.392) 11.738 11.378 ( -14.410 0.000 0.733) 14.428 13.860 ( -1.990 -0.000 -0.204) 2.000 15.226 ( -7.830 0.000 4.793) 9.180 15.862 ( 28.071 0.000 6.590) 28.834 17.965 ( 5.163 -0.000 -1.272) 5.318 ======================= Grid point 387 (247/306) ======================= q-point: (-0.40 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -8.527 -6.073 -8.450) 13.454 2.483 ( -7.838 -3.011 -0.485) 8.411 3.709 ( -40.295 -1.352 -5.627) 40.709 4.230 ( -23.465 -18.161 10.071) 31.334 4.662 ( -17.922 -19.758 5.356) 27.208 4.836 ( -14.087 3.958 -3.342) 15.010 5.669 ( -11.052 2.917 1.688) 11.554 6.179 ( 0.664 5.688 -0.198) 5.730 7.197 ( 16.405 -20.151 -6.305) 26.738 10.096 ( -17.214 9.896 1.235) 19.895 10.690 ( 15.946 13.816 -0.418) 21.103 14.570 ( 22.369 -1.457 -3.693) 22.719 15.135 ( 6.238 -2.197 9.913) 11.916 17.247 ( 7.373 4.352 -2.931) 9.050 17.712 ( -12.801 6.717 4.984) 15.291 ======================= Grid point 392 (248/306) ======================= q-point: (-0.58 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -0.000 3.896 -4.619) 6.042 2.014 ( -0.000 6.437 -6.510) 9.155 2.718 ( 0.000 -3.784 3.598) 5.221 3.714 ( 0.000 -5.536 3.383) 6.487 4.219 ( -0.000 3.748 -1.588) 4.071 4.986 ( -0.000 5.825 -13.900) 15.071 5.581 ( 0.000 -22.110 3.832) 22.440 6.034 ( 0.000 -25.530 16.934) 30.636 8.674 ( 0.000 -12.362 -5.312) 13.455 8.923 ( -0.000 18.748 -0.671) 18.760 10.656 ( -0.000 12.779 2.530) 13.027 15.527 ( -0.000 1.776 -1.349) 2.230 16.216 ( 0.000 -0.882 0.778) 1.176 16.361 ( -0.000 7.054 -3.980) 8.100 16.425 ( -0.000 7.005 0.039) 7.005 ======================= Grid point 393 (249/306) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 26.358 0.000 -0.000) 26.358 3.457 ( -14.033 -0.000 0.000) 14.033 4.124 ( 4.867 0.000 -0.000) 4.867 4.522 ( 5.826 0.000 -0.000) 5.826 5.476 ( -4.785 -0.000 0.000) 4.785 5.683 ( -7.619 -0.000 0.000) 7.619 6.429 ( 5.338 0.000 -0.000) 5.338 6.705 ( 8.071 0.000 -0.000) 8.071 7.197 ( 15.782 0.000 -0.000) 15.782 9.798 ( -3.497 -0.000 0.000) 3.497 11.636 ( 6.419 0.000 -0.000) 6.419 13.978 ( 5.994 0.000 -0.000) 5.994 15.328 ( -22.388 -0.000 0.000) 22.388 16.038 ( -11.904 -0.000 0.000) 11.904 17.809 ( -4.487 -0.000 0.000) 4.487 ======================= Grid point 398 (250/306) ======================= q-point: (-0.40 -0.60 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( -8.758 -7.672 -0.000) 11.643 3.672 ( -18.064 -1.777 0.000) 18.151 4.721 ( -0.793 -1.031 -0.000) 1.301 4.870 ( 8.348 -6.849 -0.000) 10.799 5.406 ( -12.978 -15.268 -0.000) 20.038 5.605 ( 8.209 -20.859 -0.000) 22.416 6.393 ( -10.898 -8.184 -0.000) 13.629 6.615 ( -5.992 9.193 0.000) 10.974 6.793 ( -20.673 -3.157 0.000) 20.913 9.762 ( 11.779 15.824 0.000) 19.727 11.207 ( -14.871 8.056 0.000) 16.913 13.861 ( -1.350 0.130 0.000) 1.357 15.243 ( -11.318 -3.370 0.000) 11.809 15.788 ( 30.221 -0.110 -0.000) 30.221 17.970 ( 3.482 0.384 -0.000) 3.503 ======================= Grid point 402 (251/306) ======================= q-point: (-0.31 -0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -8.475 -20.902 -16.342) 27.853 1.720 ( -29.365 -1.681 -15.329) 33.168 2.277 ( -5.342 -2.524 -15.772) 16.842 3.469 ( -7.849 -19.539 27.972) 35.011 3.813 ( -17.371 -4.044 9.446) 20.182 4.433 ( -8.028 1.338 -0.691) 8.168 5.512 ( -0.547 12.307 -0.653) 12.337 6.407 ( 3.328 -0.307 -4.397) 5.523 7.189 ( 10.022 -11.824 -6.456) 16.791 9.865 ( -5.433 5.339 5.563) 9.432 11.323 ( 6.588 4.952 -1.721) 8.419 15.282 ( 18.454 -0.644 -5.239) 19.194 15.915 ( 20.625 0.749 5.108) 21.262 16.833 ( -15.032 2.165 -4.734) 15.908 17.426 ( -27.909 12.839 6.812) 31.466 ======================= Grid point 404 (252/306) ======================= q-point: (-0.59 -0.41 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -16.582 3.760 0.000) 17.003 2.646 ( -2.365 -4.966 -0.000) 5.500 3.776 ( -48.232 1.416 0.000) 48.252 4.549 ( -19.598 -8.449 0.000) 21.341 4.803 ( -14.062 0.010 0.000) 14.062 5.121 ( 1.251 5.373 0.000) 5.517 5.813 ( -7.501 8.502 0.000) 11.338 6.418 ( -15.213 -41.658 -0.000) 44.349 8.152 ( 16.418 -17.090 -0.000) 23.698 9.531 ( -19.705 17.758 0.000) 26.526 9.961 ( 19.755 18.167 0.000) 26.839 14.634 ( 24.145 0.256 -0.000) 24.147 15.243 ( 2.291 -7.999 -0.000) 8.320 17.034 ( 6.550 6.372 0.000) 9.138 17.470 ( -19.272 3.743 0.000) 19.632 ======================= Grid point 410 (253/306) ======================= q-point: ( 0.23 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -0.000 8.990 0.000) 8.990 1.581 ( -0.000 15.793 0.000) 15.793 2.678 ( -0.000 5.125 0.000) 5.125 3.923 ( 0.000 -6.176 -0.000) 6.176 4.087 ( -0.000 3.699 0.000) 3.699 5.037 ( -0.000 3.799 0.000) 3.799 5.589 ( 0.000 -7.911 -0.000) 7.911 7.729 ( 0.000 -27.665 -0.000) 27.665 8.012 ( -0.000 10.621 0.000) 10.621 8.339 ( -0.000 29.043 0.000) 29.043 10.795 ( 0.000 -16.514 -0.000) 16.514 15.446 ( -0.000 2.403 0.000) 2.403 15.934 ( -0.000 11.860 0.000) 11.860 16.259 ( 0.000 -1.297 -0.000) 1.297 16.378 ( 0.000 -1.119 -0.000) 1.119 ======================= Grid point 414 (254/306) ======================= q-point: (-0.32 -0.48 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -5.844 -6.593 -6.952) 11.223 2.780 ( -21.277 -0.364 -1.402) 21.326 4.190 ( -22.551 -10.291 1.156) 24.815 4.427 ( -21.325 -7.191 -2.997) 22.703 4.799 ( -14.678 -3.205 10.334) 18.234 5.336 ( -25.462 6.166 -3.428) 26.422 5.927 ( -6.263 1.039 3.216) 7.117 6.004 ( 7.167 -12.336 0.702) 14.284 6.747 ( 5.997 -0.216 -7.806) 9.846 10.537 ( 4.424 5.586 -2.651) 7.603 10.651 ( -7.430 6.640 2.547) 10.285 14.160 ( 16.258 -0.588 -1.912) 16.380 15.033 ( -0.108 -1.645 11.118) 11.240 16.998 ( 22.949 1.941 0.297) 23.033 17.978 ( -5.140 2.295 3.046) 6.401 ======================= Grid point 419 (255/306) ======================= q-point: (-0.51 -0.29 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -28.509 1.731 -7.761) 29.597 2.115 ( -6.504 1.915 -8.697) 11.027 2.600 ( 2.157 -5.530 3.078) 6.686 3.736 ( -11.903 -5.725 4.622) 13.994 4.348 ( -6.184 1.632 -2.013) 6.706 4.748 ( -9.921 -47.166 8.869) 49.008 5.225 ( -5.519 5.356 -11.668) 13.975 6.016 ( 0.285 8.953 12.653) 15.502 8.185 ( 7.624 -24.640 -5.874) 26.453 9.355 ( -6.158 16.318 1.070) 17.474 10.883 ( 7.271 16.072 1.680) 17.721 15.411 ( 12.469 -0.918 -3.006) 12.859 15.787 ( 26.642 1.494 2.293) 26.782 16.716 ( -18.853 6.493 -2.000) 20.040 16.932 ( -19.276 8.824 -0.895) 21.218 ======================= Grid point 425 (256/306) ======================= q-point: (-0.33 -0.67 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -11.161 -4.787 0.000) 12.145 3.924 ( -10.543 -0.806 0.000) 10.573 4.215 ( 29.454 -13.359 -0.000) 32.342 4.735 ( 0.717 1.026 0.000) 1.251 5.328 ( -4.091 -5.889 -0.000) 7.171 5.382 ( -13.049 -11.821 -0.000) 17.607 6.457 ( -5.091 -2.467 0.000) 5.657 6.786 ( -0.659 3.976 0.000) 4.030 7.192 ( -15.656 0.429 0.000) 15.662 9.805 ( 7.321 7.786 0.000) 10.687 11.560 ( -8.228 4.177 0.000) 9.227 13.973 ( -7.903 0.373 0.000) 7.912 15.241 ( 21.740 -0.475 -0.000) 21.745 15.467 ( -14.844 -0.937 0.000) 14.873 17.874 ( 5.335 -0.199 -0.000) 5.339 ======================= Grid point 429 (257/306) ======================= q-point: (-0.24 -0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -14.544 -0.000 -19.842) 24.602 2.034 ( -8.277 -0.000 -17.284) 19.164 2.789 ( -42.596 -0.000 -5.723) 42.979 3.527 ( -16.277 0.000 25.689) 30.412 4.190 ( -22.616 0.000 9.957) 24.711 4.655 ( -11.942 0.000 0.475) 11.952 5.674 ( -3.753 0.000 0.476) 3.783 6.270 ( 7.778 -0.000 -10.218) 12.842 6.855 ( 11.071 -0.000 -8.112) 13.724 10.081 ( -10.958 0.000 4.922) 12.012 11.193 ( 11.457 -0.000 -2.752) 11.782 14.867 ( 20.982 -0.000 -4.164) 21.391 15.582 ( 13.141 0.000 11.630) 17.548 17.127 ( -10.771 -0.000 -6.662) 12.665 17.985 ( -13.104 0.000 15.328) 20.166 ======================= Grid point 431 (258/306) ======================= q-point: (-0.51 -0.49 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -4.405 -7.548 -0.000) 8.740 2.785 ( -22.824 0.528 0.000) 22.830 4.590 ( -29.870 -3.229 0.000) 30.044 4.669 ( -10.250 -8.725 -0.000) 13.461 5.176 ( -24.090 3.854 0.000) 24.396 5.197 ( -6.868 -6.041 -0.000) 9.146 6.082 ( -17.910 -23.884 -0.000) 29.854 6.140 ( -7.107 7.437 0.000) 10.287 7.327 ( 20.322 -24.634 -0.000) 31.935 9.998 ( 18.092 21.324 0.000) 27.965 10.246 ( -20.999 13.020 0.000) 24.708 14.207 ( 17.815 -0.468 -0.000) 17.821 15.084 ( -1.478 -6.654 -0.000) 6.816 16.864 ( 20.709 4.049 -0.000) 21.101 17.836 ( -10.254 3.049 0.000) 10.698 ======================= Grid point 437 (259/306) ======================= q-point: ( 0.30 -0.30 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -36.707 5.488 0.000) 37.115 1.873 ( -1.463 12.017 0.000) 12.105 2.707 ( 0.898 -0.681 -0.000) 1.126 3.934 ( -12.917 -6.273 0.000) 14.360 4.261 ( -9.438 3.095 0.000) 9.933 5.107 ( 1.322 4.483 0.000) 4.674 5.517 ( -2.301 -0.468 0.000) 2.348 6.891 ( -6.317 -49.727 -0.000) 50.127 8.554 ( -7.323 23.996 0.000) 25.088 8.692 ( 7.330 11.713 0.000) 13.817 10.454 ( 9.631 -4.790 -0.000) 10.757 15.485 ( 1.071 -2.059 -0.000) 2.321 15.673 ( 27.601 4.110 -0.000) 27.905 16.544 ( -16.279 2.639 0.000) 16.491 16.635 ( -17.758 6.315 0.000) 18.848 ======================= Grid point 441 (260/306) ======================= q-point: (-0.24 -0.56 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -7.889 -0.000 -5.022) 9.352 3.231 ( -23.164 -0.000 0.341) 23.167 4.460 ( -14.577 -0.000 -5.479) 15.573 4.643 ( -7.663 -0.000 -3.072) 8.256 5.022 ( -9.429 0.000 7.028) 11.760 5.400 ( 20.954 0.000 6.250) 21.866 6.067 ( -30.008 -0.000 -2.182) 30.087 6.177 ( -14.370 0.000 3.108) 14.703 6.730 ( -0.736 -0.000 -6.313) 6.356 10.329 ( 14.716 -0.000 -1.997) 14.851 11.047 ( -18.222 0.000 1.425) 18.277 13.915 ( 7.562 -0.000 -0.646) 7.589 15.078 ( -5.831 0.000 9.705) 11.322 16.467 ( 30.571 0.000 3.184) 30.736 18.032 ( 1.184 0.000 0.409) 1.253 ======================= Grid point 446 (261/306) ======================= q-point: (-0.43 -0.37 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -5.260 -3.585 -12.543) 14.066 2.430 ( 0.179 -5.895 -2.332) 6.342 2.843 ( -43.603 1.184 -3.569) 43.765 3.805 ( -18.328 -22.848 10.659) 31.170 4.251 ( -22.196 -23.235 6.862) 32.857 4.596 ( -10.729 1.743 -0.749) 10.895 5.488 ( -6.828 6.871 -4.235) 10.572 6.204 ( 1.583 9.870 3.539) 10.604 7.492 ( 12.806 -22.604 -6.189) 26.706 9.800 ( -12.159 10.252 2.070) 16.039 10.976 ( 12.356 12.875 -0.198) 17.846 15.027 ( 21.941 -1.990 -6.216) 22.891 15.355 ( 16.866 -0.025 8.848) 19.046 17.187 ( -13.197 4.081 -5.405) 14.834 17.449 ( -13.414 10.174 6.485) 18.042 ======================= Grid point 452 (262/306) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( -5.898 -0.000 0.000) 5.898 3.480 ( 23.035 0.000 -0.000) 23.035 4.081 ( -6.045 -0.000 0.000) 6.045 4.678 ( 6.620 0.000 -0.000) 6.620 5.376 ( -5.141 -0.000 0.000) 5.141 5.499 ( -10.837 -0.000 0.000) 10.837 6.482 ( 0.106 0.000 -0.000) 0.106 6.808 ( 2.640 0.000 -0.000) 2.640 7.358 ( -0.020 -0.000 0.000) 0.020 9.785 ( 2.189 0.000 -0.000) 2.189 11.693 ( -0.828 -0.000 0.000) 0.828 14.076 ( 0.836 0.000 -0.000) 0.836 15.030 ( -3.700 -0.000 0.000) 3.700 15.765 ( -15.075 -0.000 0.000) 15.075 17.789 ( 2.165 0.000 -0.000) 2.165 ======================= Grid point 457 (263/306) ======================= q-point: (-0.43 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( -6.600 -8.006 -0.000) 10.376 3.250 ( -23.347 -0.974 0.000) 23.368 4.676 ( -4.927 -4.390 -0.000) 6.599 4.872 ( -7.641 -1.505 0.000) 7.788 5.137 ( -13.403 -18.094 -0.000) 22.517 5.690 ( -8.540 -7.626 -0.000) 11.449 6.142 ( -13.946 -5.642 0.000) 15.044 6.274 ( -13.667 -7.339 0.000) 15.513 6.702 ( 5.629 -0.828 -0.000) 5.690 10.036 ( 15.453 15.744 0.000) 22.060 10.863 ( -19.220 8.426 0.000) 20.986 13.932 ( 8.588 -0.298 -0.000) 8.593 15.057 ( -7.031 -4.345 0.000) 8.265 16.400 ( 30.008 1.359 -0.000) 30.039 17.995 ( -1.487 1.481 0.000) 2.099 ======================= Grid point 461 (264/306) ======================= q-point: (-0.35 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 0.000 -25.709 -15.292) 29.913 1.344 ( -0.000 -0.681 -16.146) 16.161 2.262 ( -0.000 -2.811 -20.089) 20.285 3.400 ( 0.000 -23.101 31.201) 38.822 3.618 ( 0.000 -1.379 6.890) 7.027 4.347 ( -0.000 1.320 -1.683) 2.139 5.513 ( -0.000 13.703 0.998) 13.739 6.441 ( -0.000 -0.047 -4.669) 4.669 7.301 ( 0.000 -11.487 -2.911) 11.850 9.811 ( 0.000 5.198 5.994) 7.934 11.390 ( -0.000 4.630 -1.488) 4.863 15.507 ( -0.000 0.087 -4.783) 4.784 16.238 ( 0.000 0.053 2.634) 2.635 16.642 ( -0.000 2.563 -3.872) 4.643 17.007 ( -0.000 13.257 0.157) 13.258 ======================= Grid point 463 (265/306) ======================= q-point: (-0.62 -0.38 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -5.845 6.849 0.000) 9.004 2.610 ( -3.991 -3.832 -0.000) 5.533 2.825 ( -43.273 2.115 0.000) 43.325 4.143 ( -19.783 -7.090 0.000) 21.015 4.534 ( -12.653 1.347 0.000) 12.724 5.156 ( 1.675 3.004 0.000) 3.439 5.680 ( -5.661 8.312 0.000) 10.057 6.117 ( -14.417 -47.281 -0.000) 49.430 8.448 ( 13.030 -14.728 -0.000) 19.664 9.196 ( -13.640 19.407 0.000) 23.721 10.314 ( 15.144 14.943 0.000) 21.275 15.159 ( 28.133 1.078 -0.000) 28.154 15.325 ( 5.711 -5.344 -0.000) 7.821 17.033 ( -6.719 7.738 0.000) 10.248 17.042 ( -22.709 5.152 0.000) 23.286 ======================= Grid point 473 (266/306) ======================= q-point: (-0.35 -0.45 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -6.082 -6.610 -11.468) 14.567 2.449 ( -10.803 -0.841 -3.832) 11.493 3.655 ( -32.878 -6.117 0.682) 33.449 3.830 ( -33.977 -14.173 6.067) 37.312 4.454 ( -19.629 -4.567 8.746) 21.969 4.916 ( -16.602 3.635 -2.504) 17.179 5.743 ( -8.363 3.418 1.676) 9.188 6.218 ( 9.554 -1.614 -2.102) 9.914 6.915 ( 10.172 -7.884 -6.825) 14.567 10.240 ( -16.798 4.775 1.744) 17.551 10.900 ( 15.115 7.223 -1.094) 16.787 14.546 ( 21.895 -0.900 -4.383) 22.347 15.104 ( 7.573 -1.001 11.352) 13.683 17.314 ( 7.196 2.335 -4.149) 8.629 17.828 ( -9.311 4.462 7.953) 13.033 ======================= Grid point 478 (267/306) ======================= q-point: (-0.54 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -0.000 2.458 -6.849) 7.277 2.097 ( -0.000 1.369 -11.440) 11.521 2.625 ( 0.000 -5.028 3.342) 6.037 3.613 ( 0.000 -4.639 4.085) 6.181 4.288 ( -0.000 3.167 -1.335) 3.437 4.635 ( 0.000 -53.726 10.095) 54.666 5.175 ( -0.000 8.268 -13.827) 16.110 6.020 ( 0.000 9.292 14.058) 16.851 8.263 ( 0.000 -24.745 -5.516) 25.352 9.294 ( -0.000 16.396 1.352) 16.452 10.956 ( -0.000 15.747 1.808) 15.850 15.559 ( -0.000 1.447 -2.246) 2.672 16.201 ( 0.000 -0.672 1.345) 1.503 16.488 ( -0.000 6.894 -3.085) 7.553 16.601 ( -0.000 9.529 -1.990) 9.735 ======================= Grid point 484 (268/306) ======================= q-point: (-0.36 -0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -9.262 -5.519 0.000) 10.782 3.644 ( -17.749 -0.988 0.000) 17.776 4.718 ( -2.285 0.910 0.000) 2.460 4.765 ( 22.429 -3.648 -0.000) 22.723 5.095 ( -15.614 -13.964 -0.000) 20.947 5.266 ( -0.213 -12.374 -0.000) 12.376 6.314 ( -9.084 -1.344 0.000) 9.183 6.752 ( -27.145 0.637 0.000) 27.153 6.763 ( -1.584 3.485 0.000) 3.828 9.998 ( 11.939 8.020 -0.000) 14.383 11.328 ( -14.735 4.149 0.000) 15.308 13.863 ( -1.757 0.080 0.000) 1.759 15.192 ( -12.310 -1.762 0.000) 12.435 15.787 ( 31.105 -0.053 -0.000) 31.105 17.977 ( 4.241 0.262 -0.000) 4.250 ======================= Grid point 488 (269/306) ======================= q-point: (-0.27 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -14.079 -0.000 -18.477) 23.230 1.707 ( -28.337 -0.000 -16.192) 32.637 2.256 ( -6.002 -0.000 -16.292) 17.363 3.265 ( -9.346 0.000 30.044) 31.464 3.783 ( -16.579 0.000 8.372) 18.573 4.447 ( -8.170 -0.000 -0.693) 8.199 5.654 ( 0.899 0.000 4.349) 4.441 6.385 ( 3.811 -0.000 -12.364) 12.938 7.075 ( 9.983 -0.000 -2.939) 10.407 9.916 ( -5.581 0.000 5.907) 8.127 11.372 ( 6.274 -0.000 -2.749) 6.850 15.276 ( 19.019 -0.000 -5.504) 19.799 15.923 ( 20.528 0.000 5.378) 21.220 16.855 ( -14.617 -0.000 -5.160) 15.501 17.565 ( -27.621 0.000 11.367) 29.869 ======================= Grid point 490 (270/306) ======================= q-point: (-0.54 -0.46 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -14.019 2.467 0.000) 14.235 2.522 ( -1.993 -7.206 -0.000) 7.477 3.796 ( -45.881 0.690 0.000) 45.886 4.368 ( -18.502 -10.221 0.000) 21.138 4.822 ( -14.209 1.936 0.000) 14.341 5.091 ( -5.648 -15.177 -0.000) 16.193 5.729 ( -16.330 -19.923 -0.000) 25.760 6.006 ( -6.230 10.253 0.000) 11.997 7.717 ( 18.240 -24.293 -0.000) 30.379 9.849 ( -18.292 14.091 0.000) 23.090 10.354 ( 17.107 19.579 0.000) 26.000 14.633 ( 24.600 -0.324 -0.000) 24.602 15.108 ( 3.966 -5.712 -0.000) 6.954 17.162 ( 8.546 6.388 0.000) 10.670 17.557 ( -17.496 4.918 0.000) 18.174 ======================= Grid point 496 (271/306) ======================= q-point: ( 0.27 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -0.000 7.038 0.000) 7.038 1.866 ( -0.000 12.933 0.000) 12.933 2.719 ( 0.000 -0.662 -0.000) 0.662 3.799 ( 0.000 -6.318 -0.000) 6.318 4.162 ( -0.000 3.818 0.000) 3.818 5.120 ( -0.000 4.456 0.000) 4.456 5.494 ( 0.000 -1.077 -0.000) 1.077 6.824 ( 0.000 -51.259 -0.000) 51.259 8.482 ( -0.000 24.504 0.000) 24.504 8.769 ( -0.000 11.528 0.000) 11.528 10.552 ( 0.000 -5.590 -0.000) 5.590 15.495 ( -0.000 2.454 0.000) 2.454 16.173 ( -0.000 12.188 0.000) 12.188 16.233 ( 0.000 -1.309 -0.000) 1.309 16.374 ( -0.000 0.879 0.000) 0.879 ======================= Grid point 500 (272/306) ======================= q-point: (-0.27 -0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -6.021 -0.000 -8.592) 10.491 2.776 ( -21.190 -0.000 -1.731) 21.261 4.062 ( -24.019 0.000 4.552) 24.447 4.371 ( -21.824 -0.000 -5.457) 22.496 4.772 ( -15.738 0.000 10.971) 19.184 5.423 ( -29.390 -0.000 -3.550) 29.604 5.826 ( 20.242 0.000 -0.316) 20.244 5.958 ( -10.108 0.000 3.972) 10.861 6.755 ( 3.253 -0.000 -7.933) 8.574 10.590 ( -0.127 -0.000 -2.887) 2.890 10.719 ( -2.950 0.000 2.747) 4.031 14.154 ( 16.105 -0.000 -2.050) 16.235 15.017 ( 0.082 0.000 11.608) 11.608 17.018 ( 23.361 0.000 0.293) 23.363 18.002 ( -4.284 0.000 3.504) 5.535 ======================= Grid point 505 (273/306) ======================= q-point: (-0.46 -0.34 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -23.891 0.021 -10.795) 26.217 2.077 ( -11.748 -6.364 -12.389) 18.221 2.510 ( 2.873 -2.884 0.963) 4.183 3.542 ( -7.019 -24.302 10.997) 27.582 3.829 ( -18.800 -27.557 9.562) 34.702 4.415 ( -6.925 1.911 -0.643) 7.213 5.395 ( -2.805 9.185 -7.951) 12.469 6.233 ( 1.137 11.934 6.709) 13.738 7.694 ( 7.208 -23.796 -5.173) 25.396 9.618 ( -6.090 10.296 2.810) 12.287 11.169 ( 6.732 12.240 0.058) 13.969 15.399 ( 15.459 -0.345 -4.157) 16.012 15.808 ( 26.267 0.631 3.439) 26.499 16.844 ( -17.766 5.955 -3.163) 19.003 17.115 ( -20.529 9.407 1.786) 22.652 ======================= Grid point 511 (274/306) ======================= q-point: (-0.28 -0.72 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -11.893 -0.000 0.000) 11.893 3.916 ( -10.825 -0.000 0.000) 10.825 4.079 ( 32.812 0.000 -0.000) 32.812 4.750 ( 0.990 0.000 -0.000) 0.990 5.251 ( -14.121 -0.000 0.000) 14.121 5.271 ( -5.586 -0.000 0.000) 5.586 6.436 ( -4.619 -0.000 0.000) 4.619 6.824 ( -0.623 -0.000 0.000) 0.623 7.197 ( -15.710 -0.000 0.000) 15.710 9.882 ( 7.494 0.000 -0.000) 7.494 11.601 ( -8.301 -0.000 0.000) 8.301 13.977 ( -8.029 -0.000 0.000) 8.029 15.237 ( 21.844 0.000 -0.000) 21.844 15.457 ( -15.329 -0.000 0.000) 15.329 17.873 ( 5.522 0.000 -0.000) 5.522 ======================= Grid point 517 (275/306) ======================= q-point: (-0.47 -0.53 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -4.057 -7.702 -0.000) 8.705 2.791 ( -21.373 0.150 0.000) 21.374 4.472 ( -15.791 -12.237 -0.000) 19.977 4.541 ( -27.254 -1.614 0.000) 27.302 4.892 ( -11.904 -19.611 -0.000) 22.941 5.264 ( -24.248 5.043 0.000) 24.767 5.862 ( -13.367 -1.334 0.000) 13.433 6.198 ( -0.354 -3.764 -0.000) 3.781 6.931 ( 15.891 -12.754 -0.000) 20.377 10.363 ( 16.986 15.183 0.000) 22.783 10.464 ( -20.186 8.958 0.000) 22.084 14.197 ( 17.734 -0.536 -0.000) 17.742 14.973 ( -1.174 -4.488 -0.000) 4.639 16.939 ( 23.044 3.353 -0.000) 23.286 17.897 ( -8.508 2.963 0.000) 9.009 ======================= Grid point 523 (276/306) ======================= q-point: (-0.65 -0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -34.986 4.314 0.000) 35.251 2.083 ( 0.273 9.216 0.000) 9.220 2.651 ( 0.887 -4.722 -0.000) 4.804 3.809 ( -12.692 -6.292 0.000) 14.166 4.321 ( -8.089 2.910 0.000) 8.596 5.181 ( 0.800 0.847 0.000) 1.165 5.592 ( -3.045 8.058 0.000) 8.615 5.875 ( -9.047 -50.365 -0.000) 51.171 8.656 ( 7.437 -14.058 -0.000) 15.904 8.993 ( -6.686 20.108 0.000) 21.190 10.548 ( 8.157 12.983 0.000) 15.333 15.457 ( 6.852 -0.889 -0.000) 6.909 15.734 ( 28.946 2.059 -0.000) 29.019 16.620 ( -17.950 4.977 0.000) 18.627 16.778 ( -18.303 7.918 0.000) 19.942 ======================= Grid point 533 (277/306) ======================= q-point: (-0.38 -0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 881 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -7.984 -8.356 -17.088) 20.629 2.351 ( -0.897 -2.148 -7.876) 8.213 2.864 ( -41.760 1.059 -2.883) 41.873 3.254 ( -24.037 -24.272 18.937) 39.058 4.035 ( -21.561 -4.294 7.259) 23.152 4.638 ( -11.792 1.847 -0.751) 11.959 5.613 ( -4.689 4.988 -1.418) 6.991 6.371 ( 6.004 6.368 -1.793) 8.934 7.120 ( 9.746 -13.985 -5.018) 17.769 9.949 ( -12.115 4.865 2.747) 13.341 11.172 ( 11.747 6.736 -1.181) 13.592 14.997 ( 22.236 -1.025 -6.794) 23.273 15.355 ( 18.191 -0.011 9.668) 20.601 17.252 ( -12.141 2.357 -6.937) 14.180 17.622 ( -12.398 6.647 10.558) 17.589 ======================= Grid point 544 (278/306) ======================= q-point: (-0.39 -0.61 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -6.361 -5.398 -0.000) 8.342 3.233 ( -22.578 -0.624 0.000) 22.587 4.590 ( -13.845 -4.502 0.000) 14.558 4.806 ( -10.758 -12.276 -0.000) 16.323 4.884 ( -9.150 2.492 0.000) 9.483 5.473 ( 16.490 -12.071 -0.000) 20.436 6.107 ( -11.277 0.202 0.000) 11.279 6.152 ( -29.642 -3.517 0.000) 29.850 6.760 ( 1.429 3.606 0.000) 3.879 10.272 ( 15.221 8.002 -0.000) 17.196 10.989 ( -18.895 4.291 0.000) 19.376 13.927 ( 8.294 -0.189 -0.000) 8.296 14.992 ( -7.453 -2.238 0.000) 7.782 16.422 ( 31.436 0.782 -0.000) 31.445 18.019 ( -0.426 0.929 0.000) 1.022 ======================= Grid point 548 (279/306) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -0.000 -0.000 -16.635) 16.635 1.337 ( -0.000 -0.000 -16.916) 16.916 2.241 ( -0.000 -0.000 -20.799) 20.799 3.170 ( 0.000 0.000 30.991) 30.991 3.604 ( 0.000 0.000 7.046) 7.046 4.360 ( -0.000 -0.000 -1.614) 1.614 5.670 ( 0.000 0.000 6.836) 6.836 6.423 ( -0.000 -0.000 -13.069) 13.069 7.189 ( 0.000 0.000 1.272) 1.272 9.860 ( 0.000 0.000 6.261) 6.261 11.435 ( -0.000 -0.000 -2.729) 2.729 15.507 ( -0.000 -0.000 -4.984) 4.984 16.238 ( 0.000 0.000 2.743) 2.743 16.666 ( -0.000 -0.000 -4.207) 4.207 17.154 ( 0.000 0.000 4.963) 4.963 ======================= Grid point 550 (280/306) ======================= q-point: (-0.57 -0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -3.244 4.803 0.000) 5.796 2.502 ( -0.626 -6.750 -0.000) 6.779 2.866 ( -45.421 1.976 0.000) 45.464 3.989 ( -18.312 -9.062 0.000) 20.432 4.566 ( -11.529 1.913 0.000) 11.687 4.908 ( -12.909 -37.641 -0.000) 39.793 5.490 ( -7.123 -5.297 -0.000) 8.876 5.896 ( -4.703 12.851 0.000) 13.684 8.037 ( 13.612 -24.280 -0.000) 27.835 9.535 ( -12.901 14.775 0.000) 19.615 10.660 ( 13.217 17.998 0.000) 22.329 15.170 ( 28.901 0.124 -0.000) 28.901 15.239 ( 9.025 -3.360 -0.000) 9.631 17.159 ( -21.715 6.528 0.000) 22.675 17.188 ( -5.973 7.802 0.000) 9.826 ======================= Grid point 560 (281/306) ======================= q-point: (-0.31 -0.49 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -6.412 -0.000 -13.790) 15.208 2.441 ( -11.372 -0.000 -5.069) 12.451 3.535 ( -28.175 0.000 13.563) 31.270 3.738 ( -40.072 -0.000 -4.873) 40.367 4.413 ( -19.903 0.000 9.659) 22.123 4.957 ( -18.158 -0.000 -2.045) 18.273 5.780 ( -7.500 0.000 2.077) 7.782 6.183 ( 15.429 -0.000 -3.453) 15.811 6.850 ( 5.893 -0.000 -6.746) 8.957 10.287 ( -16.684 0.000 1.840) 16.786 10.972 ( 14.832 -0.000 -1.270) 14.886 14.537 ( 21.737 -0.000 -4.606) 22.220 15.094 ( 8.031 0.000 11.823) 14.292 17.337 ( 7.106 -0.000 -4.635) 8.484 17.874 ( -7.900 0.000 9.211) 12.134 ======================= Grid point 565 (282/306) ======================= q-point: (-0.49 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -0.000 1.359 -8.673) 8.779 2.029 ( -0.000 -9.580 -15.840) 18.511 2.548 ( 0.000 -2.240 0.679) 2.340 3.534 ( 0.000 -3.335 4.726) 5.784 3.571 ( 0.000 -50.428 16.794) 53.151 4.342 ( -0.000 2.288 -1.141) 2.557 5.368 ( -0.000 9.937 -8.885) 13.330 6.245 ( -0.000 12.589 7.916) 14.871 7.768 ( 0.000 -24.149 -4.462) 24.558 9.558 ( -0.000 10.268 3.122) 10.733 11.237 ( -0.000 12.011 0.180) 12.013 15.584 ( -0.000 1.012 -3.016) 3.181 16.190 ( 0.000 -0.439 1.854) 1.905 16.627 ( -0.000 6.593 -2.805) 7.165 16.792 ( -0.000 9.629 -1.086) 9.690 ======================= Grid point 571 (283/306) ======================= q-point: (-0.31 -0.69 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -9.287 -0.000 0.000) 9.287 3.634 ( -17.698 -0.000 0.000) 17.698 4.728 ( 31.795 0.000 -0.000) 31.795 4.742 ( -1.360 -0.000 0.000) 1.360 4.933 ( -18.018 -0.000 0.000) 18.018 5.141 ( -7.966 -0.000 0.000) 7.966 6.304 ( -8.439 -0.000 0.000) 8.439 6.746 ( -24.894 -0.000 0.000) 24.894 6.812 ( -4.180 -0.000 0.000) 4.180 10.078 ( 11.993 0.000 -0.000) 11.993 11.370 ( -14.702 -0.000 0.000) 14.702 13.864 ( -1.913 -0.000 0.000) 1.913 15.174 ( -12.639 -0.000 0.000) 12.639 15.786 ( 31.427 0.000 -0.000) 31.427 17.979 ( 4.525 0.000 -0.000) 4.525 ======================= Grid point 577 (284/306) ======================= q-point: (-0.50 -0.50 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -1.691 -7.336 -0.000) 7.529 2.449 ( -12.066 1.672 0.000) 12.181 3.806 ( -43.721 0.347 0.000) 43.722 4.089 ( -21.321 -20.561 -0.000) 29.620 4.601 ( -18.299 -22.549 -0.000) 29.039 4.877 ( -15.609 3.462 0.000) 15.988 5.645 ( -7.906 3.345 0.000) 8.584 6.183 ( -1.087 6.686 0.000) 6.774 7.266 ( 16.479 -19.704 -0.000) 25.687 10.082 ( -17.685 9.426 0.000) 20.040 10.695 ( 15.884 14.375 0.000) 21.423 14.624 ( 24.780 -0.557 -0.000) 24.786 15.016 ( 5.486 -3.646 -0.000) 6.587 17.280 ( 10.418 5.318 -0.000) 11.697 17.655 ( -15.618 4.742 0.000) 16.322 ======================= Grid point 583 (285/306) ======================= q-point: (-0.68 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -0.000 5.213 0.000) 5.213 2.093 ( -0.000 9.990 0.000) 9.990 2.663 ( 0.000 -4.778 -0.000) 4.778 3.676 ( 0.000 -5.948 -0.000) 5.948 4.236 ( -0.000 3.597 0.000) 3.597 5.188 ( 0.000 -0.346 -0.000) 0.346 5.562 ( -0.000 7.937 0.000) 7.937 5.781 ( 0.000 -51.017 -0.000) 51.017 8.732 ( 0.000 -14.038 -0.000) 14.038 8.927 ( -0.000 20.252 0.000) 20.252 10.631 ( -0.000 12.324 0.000) 12.324 15.542 ( -0.000 2.303 0.000) 2.303 16.208 ( 0.000 -1.210 -0.000) 1.210 16.409 ( -0.000 11.499 0.000) 11.499 16.418 ( -0.000 3.690 0.000) 3.690 ======================= Grid point 593 (286/306) ======================= q-point: (-0.41 -0.39 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 880 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -9.437 -17.444 -19.835) 28.049 1.997 ( -32.065 -0.126 -10.097) 33.618 2.487 ( 2.902 0.046 -2.801) 4.034 2.894 ( -11.411 -25.752 23.837) 36.900 3.649 ( -15.497 -2.834 5.954) 16.842 4.448 ( -6.927 1.274 -0.668) 7.075 5.552 ( -1.650 6.090 -2.719) 6.870 6.461 ( 3.055 10.389 -0.721) 10.853 7.281 ( 5.984 -17.012 -2.682) 18.233 9.766 ( -6.180 4.771 3.478) 8.547 11.355 ( 6.383 6.397 -1.108) 9.105 15.396 ( 17.174 -0.076 -4.912) 17.863 15.815 ( 26.032 0.207 4.148) 26.361 16.938 ( -16.573 3.341 -4.885) 17.598 17.283 ( -21.195 6.765 6.314) 23.127 ======================= Grid point 605 (287/306) ======================= q-point: (-0.42 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -3.643 -5.032 -0.000) 6.212 2.793 ( -20.282 0.058 0.000) 20.282 4.175 ( -25.565 -14.956 0.000) 29.619 4.524 ( -27.289 -0.297 0.000) 27.291 4.625 ( -10.453 -7.040 0.000) 12.602 5.377 ( -24.300 6.226 0.000) 25.084 5.887 ( -10.172 2.034 0.000) 10.373 5.997 ( 12.892 -13.125 -0.000) 18.397 6.833 ( 5.937 0.017 -0.000) 5.937 10.591 ( 16.489 7.770 -0.000) 18.228 10.598 ( -19.836 4.497 0.000) 20.339 14.187 ( 17.607 -0.354 -0.000) 17.611 14.907 ( -0.882 -2.267 -0.000) 2.433 16.992 ( 24.721 1.922 -0.000) 24.796 17.946 ( -7.120 1.842 0.000) 7.354 ======================= Grid point 611 (288/306) ======================= q-point: (-0.61 -0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -33.961 3.167 0.000) 34.109 2.238 ( 1.617 6.470 0.000) 6.669 2.529 ( 0.687 -7.310 -0.000) 7.342 3.684 ( -11.350 -6.608 0.000) 13.133 4.376 ( -7.067 2.628 0.000) 7.540 4.646 ( -11.150 -52.421 -0.000) 53.593 5.414 ( -1.637 2.076 0.000) 2.644 5.823 ( -2.574 14.593 0.000) 14.818 8.248 ( 7.348 -24.628 -0.000) 25.701 9.342 ( -6.468 15.041 0.000) 16.372 10.866 ( 7.168 16.947 0.000) 18.401 15.448 ( 10.849 -0.085 -0.000) 10.849 15.759 ( 29.301 0.660 -0.000) 29.308 16.739 ( -18.795 6.932 0.000) 20.032 16.939 ( -18.119 8.116 0.000) 19.854 ======================= Grid point 621 (289/306) ======================= q-point: (-0.34 -0.46 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -11.983 -0.000 -20.554) 23.792 2.332 ( -1.160 -0.000 -9.944) 10.011 2.886 ( -42.174 -0.000 -3.544) 42.323 2.994 ( -24.139 0.000 23.832) 33.921 3.996 ( -21.111 0.000 7.623) 22.445 4.658 ( -12.404 -0.000 -0.562) 12.416 5.665 ( -4.016 0.000 0.191) 4.020 6.437 ( 10.149 -0.000 -5.380) 11.487 6.975 ( 6.367 -0.000 -3.391) 7.214 9.996 ( -12.145 0.000 2.891) 12.484 11.239 ( 11.537 -0.000 -1.497) 11.633 14.987 ( 22.426 -0.000 -6.984) 23.488 15.355 ( 18.558 0.000 9.929) 21.047 17.276 ( -11.761 -0.000 -7.534) 13.967 17.691 ( -11.852 0.000 12.364) 17.127 ======================= Grid point 632 (290/306) ======================= q-point: (-0.34 -0.66 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -6.170 -0.000 0.000) 6.170 3.227 ( -22.313 -0.000 0.000) 22.313 4.527 ( -22.988 -0.000 0.000) 22.988 4.695 ( -3.898 -0.000 0.000) 3.898 4.927 ( -14.312 -0.000 0.000) 14.312 5.326 ( 27.888 0.000 -0.000) 27.888 6.112 ( -10.413 -0.000 0.000) 10.413 6.121 ( -34.092 -0.000 0.000) 34.092 6.799 ( 0.825 0.000 -0.000) 0.825 10.351 ( 15.154 0.000 -0.000) 15.154 11.031 ( -18.803 -0.000 0.000) 18.803 13.925 ( 8.178 0.000 -0.000) 8.178 14.970 ( -7.585 -0.000 0.000) 7.585 16.430 ( 31.954 0.000 -0.000) 31.954 18.029 ( -0.022 -0.000 0.000) 0.022 ======================= Grid point 638 (291/306) ======================= q-point: (-0.53 -0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -1.550 3.306 0.000) 3.651 2.359 ( -0.072 -7.255 -0.000) 7.255 2.900 ( -45.272 1.443 0.000) 45.295 3.677 ( -18.603 -28.410 -0.000) 33.959 4.175 ( -23.247 -23.884 -0.000) 33.330 4.608 ( -11.565 2.261 0.000) 11.784 5.540 ( -3.128 5.006 0.000) 5.903 6.160 ( -1.142 13.120 0.000) 13.169 7.558 ( 12.449 -22.886 -0.000) 26.052 9.777 ( -12.637 9.666 0.000) 15.910 10.978 ( 12.229 13.584 0.000) 18.278 15.167 ( 29.353 -0.343 -0.000) 29.355 15.189 ( 11.583 -1.856 -0.000) 11.731 17.290 ( -20.441 6.385 0.000) 21.415 17.333 ( -5.255 6.529 0.000) 8.381 ======================= Grid point 654 (292/306) ======================= q-point: (-0.45 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -0.000 0.581 -9.890) 9.907 1.676 ( 0.000 -24.855 -19.098) 31.345 2.532 ( -0.000 0.165 -2.459) 2.464 2.789 ( 0.000 -25.250 22.557) 33.859 3.483 ( 0.000 -1.741 5.184) 5.469 4.377 ( -0.000 1.198 -1.019) 1.573 5.537 ( -0.000 6.513 -2.807) 7.092 6.491 ( -0.000 11.599 -0.202) 11.601 7.343 ( 0.000 -17.859 -1.376) 17.912 9.704 ( -0.000 4.699 3.764) 6.021 11.419 ( -0.000 6.270 -1.062) 6.359 15.599 ( -0.000 0.518 -3.539) 3.576 16.184 ( 0.000 -0.212 2.210) 2.220 16.730 ( -0.000 3.593 -4.219) 5.542 16.965 ( -0.000 7.133 3.100) 7.778 ======================= Grid point 666 (293/306) ======================= q-point: (-0.45 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -1.520 -4.780 -0.000) 5.016 2.478 ( -10.383 1.288 0.000) 10.463 3.611 ( -30.513 -22.170 -0.000) 37.717 3.811 ( -42.393 0.178 0.000) 42.394 4.344 ( -17.699 -6.213 0.000) 18.758 4.947 ( -17.874 3.171 0.000) 18.153 5.720 ( -6.387 3.215 0.000) 7.151 6.242 ( 9.910 -0.571 -0.000) 9.926 6.989 ( 9.248 -7.813 -0.000) 12.106 10.221 ( -17.467 4.657 0.000) 18.077 10.912 ( 15.301 7.424 -0.000) 17.007 14.614 ( 24.821 -0.403 -0.000) 24.824 14.963 ( 6.559 -1.769 -0.000) 6.793 17.364 ( 11.794 3.066 -0.000) 12.186 17.734 ( -14.087 2.960 0.000) 14.394 ======================= Grid point 672 (294/306) ======================= q-point: (-0.64 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.000 3.604 0.000) 3.604 2.261 ( -0.000 6.887 0.000) 6.887 2.540 ( 0.000 -7.474 -0.000) 7.474 3.567 ( 0.000 -5.057 -0.000) 5.057 4.302 ( -0.000 3.042 0.000) 3.042 4.527 ( 0.000 -56.870 -0.000) 56.870 5.400 ( -0.000 3.252 0.000) 3.252 5.796 ( -0.000 15.195 0.000) 15.195 8.322 ( 0.000 -24.843 -0.000) 24.843 9.278 ( -0.000 15.091 0.000) 15.091 10.938 ( -0.000 16.586 0.000) 16.586 15.585 ( -0.000 1.950 0.000) 1.950 16.186 ( 0.000 -1.009 -0.000) 1.009 16.520 ( -0.000 6.427 0.000) 6.427 16.623 ( -0.000 9.957 0.000) 9.957 ======================= Grid point 682 (295/306) ======================= q-point: (-0.37 -0.43 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -17.495 -0.000 -21.029) 27.355 1.999 ( -31.486 -0.000 -10.595) 33.221 2.493 ( 2.979 -0.000 -6.258) 6.931 2.645 ( -10.419 0.000 27.817) 29.704 3.623 ( -14.809 0.000 6.064) 16.002 4.461 ( -7.062 -0.000 -0.608) 7.089 5.615 ( -1.248 -0.000 -0.164) 1.259 6.588 ( 4.999 -0.000 -6.539) 8.231 7.087 ( 4.441 0.000 0.882) 4.528 9.812 ( -6.252 0.000 3.587) 7.208 11.418 ( 6.259 -0.000 -1.518) 6.440 15.395 ( 17.734 -0.000 -5.175) 18.473 15.817 ( 25.954 0.000 4.386) 26.322 16.971 ( -16.172 -0.000 -5.662) 17.134 17.354 ( -21.238 0.000 8.583) 22.907 ======================= Grid point 694 (296/306) ======================= q-point: (-0.37 -0.63 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -3.447 -0.000 0.000) 3.447 2.794 ( -19.801 -0.000 0.000) 19.801 4.010 ( -29.027 -0.000 0.000) 29.027 4.522 ( -27.798 -0.000 0.000) 27.798 4.562 ( -10.012 -0.000 0.000) 10.012 5.465 ( -29.700 -0.000 0.000) 29.700 5.829 ( 22.523 0.000 -0.000) 22.523 5.910 ( -9.389 -0.000 0.000) 9.389 6.842 ( 3.355 0.000 -0.000) 3.355 10.642 ( -19.742 -0.000 0.000) 19.742 10.668 ( 16.340 0.000 -0.000) 16.340 14.184 ( 17.551 0.000 -0.000) 17.551 14.884 ( -0.764 -0.000 0.000) 0.764 17.011 ( 25.337 0.000 -0.000) 25.337 17.965 ( -6.587 -0.000 0.000) 6.587 ======================= Grid point 700 (297/306) ======================= q-point: (-0.56 -0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -33.423 2.087 0.000) 33.488 2.333 ( 1.421 2.678 0.000) 3.032 2.375 ( 0.247 -7.862 -0.000) 7.865 3.410 ( -6.965 -35.705 -0.000) 36.378 3.734 ( -19.513 -21.856 -0.000) 29.300 4.423 ( -6.678 2.111 0.000) 7.004 5.503 ( -0.996 5.099 0.000) 5.196 6.141 ( -0.725 16.825 0.000) 16.840 7.750 ( 6.634 -24.581 -0.000) 25.460 9.586 ( -6.425 9.694 0.000) 11.630 11.169 ( 6.631 13.023 0.000) 14.614 15.451 ( 13.415 0.321 -0.000) 13.418 15.765 ( 29.421 -0.005 -0.000) 29.421 16.883 ( -18.729 7.278 0.000) 20.093 17.088 ( -17.928 6.763 0.000) 19.161 ======================= Grid point 728 (298/306) ======================= q-point: (-0.48 -0.52 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -0.216 -4.854 -0.000) 4.859 2.379 ( -1.162 3.015 0.000) 3.232 2.922 ( -44.913 0.758 0.000) 44.920 3.002 ( -28.572 -31.339 -0.000) 42.409 3.950 ( -20.647 -4.808 0.000) 21.200 4.649 ( -12.343 1.647 0.000) 12.452 5.629 ( -3.048 3.418 0.000) 4.579 6.389 ( 5.246 9.417 0.000) 10.780 7.173 ( 8.546 -15.078 -0.000) 17.331 9.919 ( -12.610 4.695 0.000) 13.455 11.184 ( 11.732 7.074 -0.000) 13.700 15.160 ( 29.595 -0.322 -0.000) 29.597 15.163 ( 13.227 -0.789 -0.000) 13.251 17.397 ( -19.218 4.065 0.000) 19.643 17.437 ( -4.723 3.785 0.000) 6.052 ======================= Grid point 744 (299/306) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -0.000 -0.000 -17.777) 17.777 1.633 ( -0.000 -0.000 -10.320) 10.320 2.546 ( -0.000 -0.000 -8.380) 8.380 2.550 ( 0.000 0.000 26.443) 26.443 3.466 ( 0.000 0.000 5.351) 5.351 4.389 ( -0.000 -0.000 -0.978) 0.978 5.605 ( 0.000 0.000 0.095) 0.095 6.637 ( -0.000 -0.000 -6.937) 6.937 7.134 ( 0.000 0.000 3.085) 3.085 9.750 ( 0.000 0.000 3.845) 3.845 11.481 ( -0.000 -0.000 -1.513) 1.513 15.604 ( -0.000 -0.000 -3.724) 3.724 16.181 ( 0.000 0.000 2.338) 2.338 16.766 ( -0.000 -0.000 -4.986) 4.986 17.041 ( 0.000 0.000 5.429) 5.429 ======================= Grid point 756 (300/306) ======================= q-point: (-0.41 -0.59 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -1.471 -0.000 0.000) 1.471 2.493 ( -9.256 -0.000 0.000) 9.256 3.371 ( -35.005 -0.000 0.000) 35.005 3.813 ( -41.976 -0.000 0.000) 41.976 4.288 ( -17.262 -0.000 0.000) 17.262 4.982 ( -19.316 -0.000 0.000) 19.316 5.754 ( -6.123 -0.000 0.000) 6.123 6.220 ( 16.707 0.000 -0.000) 16.707 6.923 ( 4.487 0.000 -0.000) 4.487 10.267 ( -17.422 -0.000 0.000) 17.422 10.985 ( 15.123 0.000 -0.000) 15.123 14.609 ( 24.823 0.000 -0.000) 24.823 14.945 ( 6.947 0.000 -0.000) 6.947 17.395 ( 12.307 0.000 -0.000) 12.307 17.765 ( -13.483 -0.000 0.000) 13.483 ======================= Grid point 762 (301/306) ======================= q-point: (-0.59 -0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -0.000 2.233 0.000) 2.233 2.348 ( -0.000 0.459 0.000) 0.459 2.381 ( 0.000 -8.108 -0.000) 8.108 3.393 ( 0.000 -54.343 -0.000) 54.343 3.480 ( 0.000 -3.689 -0.000) 3.689 4.355 ( -0.000 2.200 0.000) 2.200 5.493 ( -0.000 5.059 0.000) 5.059 6.133 ( -0.000 18.063 0.000) 18.063 7.817 ( 0.000 -25.153 -0.000) 25.153 9.523 ( -0.000 9.671 0.000) 9.671 11.236 ( -0.000 12.822 0.000) 12.822 15.618 ( -0.000 1.416 0.000) 1.416 16.168 ( 0.000 -0.723 -0.000) 0.723 16.661 ( -0.000 7.437 0.000) 7.437 16.797 ( -0.000 7.555 0.000) 7.555 ======================= Grid point 791 (302/306) ======================= q-point: (-0.51 -0.49 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 528 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -33.200 1.089 0.000) 33.218 2.239 ( -0.251 -5.376 -0.000) 5.382 2.246 ( -14.843 -17.816 -0.000) 23.189 2.667 ( -2.017 -20.229 -0.000) 20.330 3.581 ( -14.763 -2.977 0.000) 15.060 4.457 ( -6.749 1.208 0.000) 6.856 5.590 ( -1.076 3.347 0.000) 3.516 6.462 ( 2.266 14.987 0.000) 15.158 7.310 ( 4.875 -19.128 -0.000) 19.739 9.727 ( -6.490 4.631 0.000) 7.973 11.367 ( 6.348 6.818 0.000) 9.315 15.458 ( 14.809 0.299 -0.000) 14.812 15.763 ( 29.536 -0.140 -0.000) 29.536 17.008 ( -18.170 4.844 0.000) 18.804 17.196 ( -17.887 3.903 0.000) 18.308 ======================= Grid point 819 (303/306) ======================= q-point: (-0.44 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -0.351 -0.000 0.000) 0.351 2.438 ( 2.982 0.000 -0.000) 2.982 2.637 ( -37.728 -0.000 0.000) 37.728 2.930 ( -44.769 -0.000 0.000) 44.769 3.906 ( -19.861 -0.000 0.000) 19.861 4.666 ( -12.829 -0.000 0.000) 12.829 5.664 ( -3.073 -0.000 0.000) 3.073 6.495 ( 10.973 0.000 -0.000) 10.973 7.009 ( 3.929 0.000 -0.000) 3.929 9.965 ( -12.632 -0.000 0.000) 12.632 11.255 ( 11.577 0.000 -0.000) 11.577 15.156 ( 13.798 0.000 -0.000) 13.798 15.156 ( 29.673 0.000 -0.000) 29.673 17.439 ( -18.695 -0.000 0.000) 18.695 17.475 ( -4.522 -0.000 0.000) 4.522 ======================= Grid point 854 (304/306) ======================= q-point: (-0.55 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -0.000 1.061 0.000) 1.061 2.053 ( 0.000 -33.468 -0.000) 33.468 2.240 ( 0.000 -5.530 -0.000) 5.530 2.686 ( 0.000 -10.554 -0.000) 10.554 3.423 ( 0.000 -1.948 -0.000) 1.948 4.388 ( -0.000 1.153 0.000) 1.153 5.580 ( -0.000 3.329 0.000) 3.329 6.484 ( -0.000 16.743 0.000) 16.743 7.359 ( 0.000 -20.384 -0.000) 20.384 9.663 ( -0.000 4.584 0.000) 4.584 11.431 ( -0.000 6.724 0.000) 6.724 15.640 ( -0.000 0.745 0.000) 0.745 16.157 ( 0.000 -0.377 -0.000) 0.377 16.792 ( -0.000 5.165 0.000) 5.165 16.915 ( -0.000 4.164 0.000) 4.164 ======================= Grid point 883 (305/306) ======================= q-point: (-0.47 -0.53 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -29.732 -0.000 0.000) 29.732 2.119 ( -33.661 -0.000 0.000) 33.661 2.182 ( 0.035 0.000 -0.000) 0.035 2.552 ( 6.550 0.000 -0.000) 6.550 3.553 ( -14.034 -0.000 0.000) 14.034 4.469 ( -6.851 -0.000 0.000) 6.851 5.624 ( -1.094 -0.000 0.000) 1.094 6.658 ( 5.430 0.000 -0.000) 5.430 7.072 ( 2.240 0.000 -0.000) 2.240 9.773 ( -6.537 -0.000 0.000) 6.537 11.435 ( 6.257 0.000 -0.000) 6.257 15.461 ( 15.243 0.000 -0.000) 15.243 15.761 ( 29.592 0.000 -0.000) 29.592 17.058 ( -17.854 -0.000 0.000) 17.854 17.236 ( -17.894 -0.000 0.000) 17.894 ======================= Grid point 947 (306/306) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -0.000 0.000 0.000) 0.000 1.747 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 4.400 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 6.712 ( -0.000 0.000 0.000) 0.000 7.095 ( -0.000 0.000 0.000) 0.000 9.707 ( -0.000 0.000 0.000) 0.000 11.498 ( -0.000 0.000 0.000) 0.000 15.647 ( -0.000 0.000 0.000) 0.000 16.154 ( -0.000 -0.000 0.000) 0.000 16.846 ( 0.000 0.000 0.000) 0.000 16.957 ( 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 3/26400 10.0 627.964 546.933 792.436 0.000 0.000 -0.000 3/26400 20.0 830.738 371.800 453.480 0.000 0.000 -0.000 3/26400 30.0 740.707 234.768 253.093 0.000 -0.000 -0.000 3/26400 40.0 528.822 143.965 138.861 0.000 -0.000 -0.000 3/26400 50.0 386.874 92.835 84.339 0.000 -0.000 -0.000 3/26400 60.0 299.811 64.962 57.027 0.000 -0.000 -0.000 3/26400 70.0 243.135 48.895 41.852 0.000 -0.000 -0.000 3/26400 80.0 203.781 38.927 32.591 0.000 -0.000 -0.000 3/26400 90.0 175.021 32.302 26.499 0.000 -0.000 -0.000 3/26400 100.0 153.159 27.634 22.248 0.000 -0.000 -0.000 3/26400 110.0 136.020 24.184 19.142 0.000 -0.000 -0.000 3/26400 120.0 122.252 21.533 16.786 0.000 -0.000 -0.000 3/26400 130.0 110.968 19.433 14.945 0.000 -0.000 -0.000 3/26400 140.0 101.566 17.726 13.471 0.000 -0.000 -0.000 3/26400 150.0 93.623 16.311 12.266 0.000 -0.000 -0.000 3/26400 160.0 86.830 15.116 11.264 0.000 -0.000 -0.000 3/26400 170.0 80.959 14.094 10.418 0.000 -0.000 -0.000 3/26400 180.0 75.839 13.209 9.694 0.000 -0.000 -0.000 3/26400 190.0 71.335 12.434 9.068 0.000 -0.000 -0.000 3/26400 200.0 67.345 11.749 8.522 0.000 -0.000 -0.000 3/26400 210.0 63.786 11.139 8.040 0.000 -0.000 -0.000 3/26400 220.0 60.591 10.593 7.612 0.000 -0.000 -0.000 3/26400 230.0 57.709 10.100 7.230 0.000 -0.000 -0.000 3/26400 240.0 55.095 9.653 6.885 0.000 -0.000 -0.000 3/26400 250.0 52.713 9.245 6.574 0.000 -0.000 -0.000 3/26400 260.0 50.533 8.871 6.291 0.000 -0.000 -0.000 3/26400 270.0 48.531 8.528 6.032 0.000 -0.000 -0.000 3/26400 280.0 46.686 8.211 5.794 0.000 -0.000 -0.000 3/26400 290.0 44.979 7.918 5.576 0.000 -0.000 -0.000 3/26400 300.0 43.395 7.645 5.374 0.000 -0.000 -0.000 3/26400 310.0 41.922 7.391 5.186 0.000 -0.000 -0.000 3/26400 320.0 40.548 7.154 5.012 0.000 -0.000 -0.000 3/26400 330.0 39.263 6.931 4.849 0.000 -0.000 -0.000 3/26400 340.0 38.059 6.723 4.697 0.000 -0.000 -0.000 3/26400 350.0 36.927 6.527 4.554 0.000 -0.000 -0.000 3/26400 360.0 35.863 6.342 4.421 0.000 -0.000 -0.000 3/26400 370.0 34.859 6.168 4.295 0.000 -0.000 -0.000 3/26400 380.0 33.911 6.003 4.176 0.000 -0.000 -0.000 3/26400 390.0 33.014 5.847 4.063 0.000 -0.000 -0.000 3/26400 400.0 32.165 5.699 3.957 0.000 -0.000 -0.000 3/26400 410.0 31.358 5.558 3.857 0.000 -0.000 -0.000 3/26400 420.0 30.592 5.424 3.761 0.000 -0.000 -0.000 3/26400 430.0 29.863 5.297 3.670 0.000 -0.000 -0.000 3/26400 440.0 29.168 5.175 3.584 0.000 -0.000 -0.000 3/26400 450.0 28.505 5.059 3.501 0.000 -0.000 -0.000 3/26400 460.0 27.872 4.948 3.423 0.000 -0.000 -0.000 3/26400 470.0 27.267 4.842 3.347 0.000 -0.000 -0.000 3/26400 480.0 26.688 4.741 3.276 0.000 -0.000 -0.000 3/26400 490.0 26.133 4.643 3.207 0.000 -0.000 -0.000 3/26400 500.0 25.602 4.550 3.141 0.000 -0.000 -0.000 3/26400 510.0 25.091 4.460 3.078 0.000 -0.000 -0.000 3/26400 520.0 24.601 4.374 3.017 0.000 -0.000 -0.000 3/26400 530.0 24.130 4.291 2.959 0.000 -0.000 -0.000 3/26400 540.0 23.677 4.211 2.903 0.000 -0.000 -0.000 3/26400 550.0 23.240 4.134 2.849 0.000 -0.000 -0.000 3/26400 560.0 22.820 4.060 2.797 0.000 -0.000 -0.000 3/26400 570.0 22.414 3.988 2.747 0.000 -0.000 -0.000 3/26400 580.0 22.023 3.919 2.699 0.000 -0.000 -0.000 3/26400 590.0 21.646 3.853 2.652 0.000 -0.000 -0.000 3/26400 600.0 21.281 3.788 2.607 0.000 -0.000 -0.000 3/26400 610.0 20.928 3.726 2.564 0.000 -0.000 -0.000 3/26400 620.0 20.587 3.666 2.521 0.000 -0.000 -0.000 3/26400 630.0 20.257 3.607 2.481 0.000 -0.000 -0.000 3/26400 640.0 19.938 3.551 2.441 0.000 -0.000 -0.000 3/26400 650.0 19.628 3.496 2.403 0.000 -0.000 -0.000 3/26400 660.0 19.328 3.443 2.366 0.000 -0.000 -0.000 3/26400 670.0 19.037 3.392 2.331 0.000 -0.000 -0.000 3/26400 680.0 18.755 3.342 2.296 0.000 -0.000 -0.000 3/26400 690.0 18.481 3.293 2.262 0.000 -0.000 -0.000 3/26400 700.0 18.215 3.246 2.229 0.000 -0.000 -0.000 3/26400 710.0 17.957 3.200 2.198 0.000 -0.000 -0.000 3/26400 720.0 17.706 3.156 2.167 0.000 -0.000 -0.000 3/26400 730.0 17.462 3.112 2.137 0.000 -0.000 -0.000 3/26400 740.0 17.224 3.070 2.108 0.000 -0.000 -0.000 3/26400 750.0 16.993 3.029 2.079 0.000 -0.000 -0.000 3/26400 760.0 16.768 2.989 2.051 0.000 -0.000 -0.000 3/26400 770.0 16.549 2.950 2.025 0.000 -0.000 -0.000 3/26400 780.0 16.336 2.913 1.998 0.000 -0.000 -0.000 3/26400 790.0 16.128 2.876 1.973 0.000 -0.000 -0.000 3/26400 800.0 15.925 2.840 1.948 0.000 -0.000 -0.000 3/26400 810.0 15.728 2.805 1.924 0.000 -0.000 -0.000 3/26400 820.0 15.535 2.770 1.900 0.000 -0.000 -0.000 3/26400 830.0 15.347 2.737 1.877 0.000 -0.000 -0.000 3/26400 840.0 15.163 2.704 1.854 0.000 -0.000 -0.000 3/26400 850.0 14.984 2.673 1.832 0.000 -0.000 -0.000 3/26400 860.0 14.809 2.641 1.811 0.000 -0.000 -0.000 3/26400 870.0 14.638 2.611 1.790 0.000 -0.000 -0.000 3/26400 880.0 14.471 2.581 1.769 0.000 -0.000 -0.000 3/26400 890.0 14.308 2.552 1.749 0.000 -0.000 -0.000 3/26400 900.0 14.148 2.524 1.730 0.000 -0.000 -0.000 3/26400 910.0 13.992 2.496 1.711 0.000 -0.000 -0.000 3/26400 920.0 13.840 2.469 1.692 0.000 -0.000 -0.000 3/26400 930.0 13.690 2.443 1.674 0.000 -0.000 -0.000 3/26400 940.0 13.544 2.417 1.656 0.000 -0.000 -0.000 3/26400 950.0 13.401 2.391 1.638 0.000 -0.000 -0.000 3/26400 960.0 13.261 2.366 1.621 0.000 -0.000 -0.000 3/26400 970.0 13.124 2.342 1.604 0.000 -0.000 -0.000 3/26400 980.0 12.990 2.318 1.588 0.000 -0.000 -0.000 3/26400 990.0 12.858 2.294 1.572 0.000 -0.000 -0.000 3/26400 1000.0 12.729 2.271 1.556 0.000 -0.000 -0.000 3/26400 Thermal conductivity related properties were written into "kappa-m111760.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:08:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|