----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:53:33]------------------------- 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: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.145948823218266 1.238964130752224 9.663464856666657 b -2.145948823218262 1.238964130752224 9.663464856666657 c 0.000000000000002 -2.477928261504452 9.663464856666657 Atomic positions (fractional): *1 Ba 0.74805827108309 0.74805827108309 0.74805827108309 137.327 2 Ba 0.25194172891691 0.25194172891691 0.25194172891691 137.327 *3 O 0.43836164197819 0.43836164197819 0.43836164197819 15.999 4 O 0.56163835802181 0.56163835802181 0.56163835802181 15.999 *5 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 *6 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.291897646436528 0.000000000000000 0.000000000000000 b -2.145948823218264 3.716892392256676 0.000000000000000 c 0.000000000000000 0.000000000000000 28.990394569999999 Atomic positions (fractional): *1 Ba 0.66666666666667 0.33333333333333 0.08139160441642 137.327 > 1 2 Ba 0.00000000000000 0.00000000000000 0.25194172891691 137.327 > 2 3 Ba 0.33333333333333 0.66666666666667 0.41472493774975 137.327 > 1 4 Ba 0.66666666666667 0.33333333333333 0.58527506225024 137.327 > 2 5 Ba 0.00000000000000 0.00000000000000 0.74805827108309 137.327 > 1 6 Ba 0.33333333333333 0.66666666666667 0.91860839558358 137.327 > 2 *7 O 0.33333333333333 0.66666666666667 0.10502830864486 15.999 > 3 8 O 0.33333333333333 0.66666666666667 0.22830502468847 15.999 > 4 9 O 0.00000000000000 0.00000000000000 0.43836164197819 15.999 > 3 10 O 0.00000000000000 0.00000000000000 0.56163835802181 15.999 > 4 11 O 0.66666666666667 0.33333333333333 0.77169497531152 15.999 > 3 12 O 0.66666666666667 0.33333333333333 0.89497169135514 15.999 > 4 *13 Cu 0.33333333333333 0.66666666666667 0.16666666666667 63.546 > 5 14 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 5 15 Cu 0.66666666666667 0.33333333333333 0.83333333333333 63.546 > 5 *16 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 6 17 Br 0.66666666666667 0.33333333333333 0.33333333333333 79.904 > 6 18 Br 0.33333333333333 0.66666666666667 0.66666666666667 79.904 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.583795292873056 0.000000000000000 0.000000000000000 b -4.291897646436528 7.433784784513352 0.000000000000000 c 0.000000000000000 0.000000000000000 28.990394569999999 Atomic positions (fractional): *1 Ba 0.33333333333333 0.16666666666667 0.08139160441642 137.327 > 1 2 Ba 0.83333333333333 0.16666666666667 0.08139160441642 137.327 > 1 3 Ba 0.33333333333333 0.66666666666667 0.08139160441642 137.327 > 1 4 Ba 0.83333333333333 0.66666666666667 0.08139160441642 137.327 > 1 5 Ba 0.00000000000000 0.00000000000000 0.25194172891691 137.327 > 2 6 Ba 0.50000000000000 0.00000000000000 0.25194172891691 137.327 > 2 7 Ba 0.00000000000000 0.50000000000000 0.25194172891691 137.327 > 2 8 Ba 0.50000000000000 0.50000000000000 0.25194172891691 137.327 > 2 9 Ba 0.16666666666667 0.33333333333333 0.41472493774975 137.327 > 1 10 Ba 0.66666666666667 0.33333333333333 0.41472493774975 137.327 > 1 11 Ba 0.16666666666667 0.83333333333333 0.41472493774975 137.327 > 1 12 Ba 0.66666666666667 0.83333333333333 0.41472493774975 137.327 > 1 13 Ba 0.33333333333333 0.16666666666667 0.58527506225024 137.327 > 2 14 Ba 0.83333333333333 0.16666666666667 0.58527506225024 137.327 > 2 15 Ba 0.33333333333333 0.66666666666667 0.58527506225024 137.327 > 2 16 Ba 0.83333333333333 0.66666666666667 0.58527506225024 137.327 > 2 17 Ba 0.00000000000000 0.00000000000000 0.74805827108309 137.327 > 1 18 Ba 0.50000000000000 0.00000000000000 0.74805827108309 137.327 > 1 19 Ba 0.00000000000000 0.50000000000000 0.74805827108309 137.327 > 1 20 Ba 0.50000000000000 0.50000000000000 0.74805827108309 137.327 > 1 21 Ba 0.16666666666667 0.33333333333333 0.91860839558358 137.327 > 2 22 Ba 0.66666666666667 0.33333333333333 0.91860839558358 137.327 > 2 23 Ba 0.16666666666667 0.83333333333333 0.91860839558358 137.327 > 2 24 Ba 0.66666666666667 0.83333333333333 0.91860839558358 137.327 > 2 *25 O 0.16666666666667 0.33333333333333 0.10502830864486 15.999 > 3 26 O 0.66666666666667 0.33333333333333 0.10502830864486 15.999 > 3 27 O 0.16666666666667 0.83333333333333 0.10502830864486 15.999 > 3 28 O 0.66666666666667 0.83333333333333 0.10502830864486 15.999 > 3 29 O 0.16666666666667 0.33333333333333 0.22830502468847 15.999 > 4 30 O 0.66666666666667 0.33333333333333 0.22830502468847 15.999 > 4 31 O 0.16666666666667 0.83333333333333 0.22830502468847 15.999 > 4 32 O 0.66666666666667 0.83333333333333 0.22830502468847 15.999 > 4 33 O 0.00000000000000 0.00000000000000 0.43836164197819 15.999 > 3 34 O 0.50000000000000 0.00000000000000 0.43836164197819 15.999 > 3 35 O 0.00000000000000 0.50000000000000 0.43836164197819 15.999 > 3 36 O 0.50000000000000 0.50000000000000 0.43836164197819 15.999 > 3 37 O 0.00000000000000 0.00000000000000 0.56163835802181 15.999 > 4 38 O 0.50000000000000 0.00000000000000 0.56163835802181 15.999 > 4 39 O 0.00000000000000 0.50000000000000 0.56163835802181 15.999 > 4 40 O 0.50000000000000 0.50000000000000 0.56163835802181 15.999 > 4 41 O 0.33333333333333 0.16666666666667 0.77169497531152 15.999 > 3 42 O 0.83333333333333 0.16666666666667 0.77169497531152 15.999 > 3 43 O 0.33333333333333 0.66666666666667 0.77169497531152 15.999 > 3 44 O 0.83333333333333 0.66666666666667 0.77169497531152 15.999 > 3 45 O 0.33333333333333 0.16666666666667 0.89497169135514 15.999 > 4 46 O 0.83333333333333 0.16666666666667 0.89497169135514 15.999 > 4 47 O 0.33333333333333 0.66666666666667 0.89497169135514 15.999 > 4 48 O 0.83333333333333 0.66666666666667 0.89497169135514 15.999 > 4 *49 Cu 0.16666666666667 0.33333333333333 0.16666666666667 63.546 > 5 50 Cu 0.66666666666667 0.33333333333333 0.16666666666667 63.546 > 5 51 Cu 0.16666666666667 0.83333333333333 0.16666666666667 63.546 > 5 52 Cu 0.66666666666667 0.83333333333333 0.16666666666667 63.546 > 5 53 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 5 54 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 5 55 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 5 56 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 5 57 Cu 0.33333333333333 0.16666666666667 0.83333333333333 63.546 > 5 58 Cu 0.83333333333333 0.16666666666667 0.83333333333333 63.546 > 5 59 Cu 0.33333333333333 0.66666666666667 0.83333333333333 63.546 > 5 60 Cu 0.83333333333333 0.66666666666667 0.83333333333333 63.546 > 5 *61 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 6 62 Br 0.50000000000000 0.00000000000000 0.00000000000000 79.904 > 6 63 Br 0.00000000000000 0.50000000000000 0.00000000000000 79.904 > 6 64 Br 0.50000000000000 0.50000000000000 0.00000000000000 79.904 > 6 65 Br 0.33333333333333 0.16666666666667 0.33333333333333 79.904 > 6 66 Br 0.83333333333333 0.16666666666667 0.33333333333333 79.904 > 6 67 Br 0.33333333333333 0.66666666666667 0.33333333333333 79.904 > 6 68 Br 0.83333333333333 0.66666666666667 0.33333333333333 79.904 > 6 69 Br 0.16666666666667 0.33333333333333 0.66666666666667 79.904 > 6 70 Br 0.66666666666667 0.33333333333333 0.66666666666667 79.904 > 6 71 Br 0.16666666666667 0.83333333333333 0.66666666666667 79.904 > 6 72 Br 0.66666666666667 0.83333333333333 0.66666666666667 79.904 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0355374 0.0000000 0.0000000 0.0000000 4.0355374 0.0000000 0.0000000 0.0000000 3.7496244 -------------------------- Born effective charges -------------------------- 1 Ba 2.8433704 0.0000000 0.0000000 -0.0000000 2.8433704 0.0000000 0.0000000 0.0000000 2.1900446 2 Ba 2.8433704 0.0000000 0.0000000 -0.0000000 2.8433704 0.0000000 0.0000000 0.0000000 2.1900446 3 O -1.8769018 -0.0000000 0.0000000 -0.0000000 -1.8769018 0.0000000 0.0000000 0.0000000 -2.1245589 4 O -1.8769018 -0.0000000 0.0000000 -0.0000000 -1.8769018 0.0000000 0.0000000 0.0000000 -2.1245589 5 Cu -0.7269243 -0.0000000 0.0000000 -0.0000000 -0.7269243 0.0000000 0.0000000 0.0000000 1.3847487 6 Br -1.2060129 -0.0000000 0.0000000 0.0000000 -1.2060129 0.0000000 0.0000000 0.0000000 -1.5157201 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 2376/2376 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 226 Number of blocks in projector: 248 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (226, 218), data: False |-- (56, 56), data: True |-- (68, 64), data: True |-- (102, 98), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 80 / 80 - Time: 0.055 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.058 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 216/216 Permutation basis: 2376/2376 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 226 Number of blocks in projector: 248 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (226, 218), data: False |-- (56, 56), data: True |-- (68, 64), data: True |-- (102, 98), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:53:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:53:36]------------------------- 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): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.145948823218266 1.238964130752224 9.663464856666657 b -2.145948823218262 1.238964130752224 9.663464856666657 c 0.000000000000002 -2.477928261504452 9.663464856666657 Atomic positions (fractional): 1 Ba 0.74805827108309 0.74805827108309 0.74805827108309 137.327 2 Ba 0.25194172891691 0.25194172891691 0.25194172891691 137.327 3 O 0.43836164197819 0.43836164197819 0.43836164197819 15.999 4 O 0.56163835802181 0.56163835802181 0.56163835802181 15.999 5 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 6 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.583795292873056 0.000000000000000 0.000000000000000 b -4.291897646436528 7.433784784513352 0.000000000000000 c 0.000000000000000 0.000000000000000 28.990394569999999 Atomic positions (fractional): 1 Ba 0.33333333333333 0.16666666666667 0.08139160441642 137.327 > 1 2 Ba 0.83333333333333 0.16666666666667 0.08139160441642 137.327 > 1 3 Ba 0.33333333333333 0.66666666666667 0.08139160441642 137.327 > 1 4 Ba 0.83333333333333 0.66666666666667 0.08139160441642 137.327 > 1 5 Ba 0.00000000000000 0.00000000000000 0.25194172891691 137.327 > 5 6 Ba 0.50000000000000 0.00000000000000 0.25194172891691 137.327 > 5 7 Ba 0.00000000000000 0.50000000000000 0.25194172891691 137.327 > 5 8 Ba 0.50000000000000 0.50000000000000 0.25194172891691 137.327 > 5 9 Ba 0.16666666666667 0.33333333333333 0.41472493774975 137.327 > 1 10 Ba 0.66666666666667 0.33333333333333 0.41472493774975 137.327 > 1 11 Ba 0.16666666666667 0.83333333333333 0.41472493774975 137.327 > 1 12 Ba 0.66666666666667 0.83333333333333 0.41472493774975 137.327 > 1 13 Ba 0.33333333333333 0.16666666666667 0.58527506225024 137.327 > 5 14 Ba 0.83333333333333 0.16666666666667 0.58527506225024 137.327 > 5 15 Ba 0.33333333333333 0.66666666666667 0.58527506225024 137.327 > 5 16 Ba 0.83333333333333 0.66666666666667 0.58527506225024 137.327 > 5 17 Ba 0.00000000000000 0.00000000000000 0.74805827108309 137.327 > 1 18 Ba 0.50000000000000 0.00000000000000 0.74805827108309 137.327 > 1 19 Ba 0.00000000000000 0.50000000000000 0.74805827108309 137.327 > 1 20 Ba 0.50000000000000 0.50000000000000 0.74805827108309 137.327 > 1 21 Ba 0.16666666666667 0.33333333333333 0.91860839558358 137.327 > 5 22 Ba 0.66666666666667 0.33333333333333 0.91860839558358 137.327 > 5 23 Ba 0.16666666666667 0.83333333333333 0.91860839558358 137.327 > 5 24 Ba 0.66666666666667 0.83333333333333 0.91860839558358 137.327 > 5 25 O 0.16666666666667 0.33333333333333 0.10502830864486 15.999 > 25 26 O 0.66666666666667 0.33333333333333 0.10502830864486 15.999 > 25 27 O 0.16666666666667 0.83333333333333 0.10502830864486 15.999 > 25 28 O 0.66666666666667 0.83333333333333 0.10502830864486 15.999 > 25 29 O 0.16666666666667 0.33333333333333 0.22830502468847 15.999 > 29 30 O 0.66666666666667 0.33333333333333 0.22830502468847 15.999 > 29 31 O 0.16666666666667 0.83333333333333 0.22830502468847 15.999 > 29 32 O 0.66666666666667 0.83333333333333 0.22830502468847 15.999 > 29 33 O 0.00000000000000 0.00000000000000 0.43836164197819 15.999 > 25 34 O 0.50000000000000 0.00000000000000 0.43836164197819 15.999 > 25 35 O 0.00000000000000 0.50000000000000 0.43836164197819 15.999 > 25 36 O 0.50000000000000 0.50000000000000 0.43836164197819 15.999 > 25 37 O 0.00000000000000 0.00000000000000 0.56163835802181 15.999 > 29 38 O 0.50000000000000 0.00000000000000 0.56163835802181 15.999 > 29 39 O 0.00000000000000 0.50000000000000 0.56163835802181 15.999 > 29 40 O 0.50000000000000 0.50000000000000 0.56163835802181 15.999 > 29 41 O 0.33333333333333 0.16666666666667 0.77169497531152 15.999 > 25 42 O 0.83333333333333 0.16666666666667 0.77169497531152 15.999 > 25 43 O 0.33333333333333 0.66666666666667 0.77169497531152 15.999 > 25 44 O 0.83333333333333 0.66666666666667 0.77169497531152 15.999 > 25 45 O 0.33333333333333 0.16666666666667 0.89497169135514 15.999 > 29 46 O 0.83333333333333 0.16666666666667 0.89497169135514 15.999 > 29 47 O 0.33333333333333 0.66666666666667 0.89497169135514 15.999 > 29 48 O 0.83333333333333 0.66666666666667 0.89497169135514 15.999 > 29 49 Cu 0.16666666666667 0.33333333333333 0.16666666666667 63.546 > 49 50 Cu 0.66666666666667 0.33333333333333 0.16666666666667 63.546 > 49 51 Cu 0.16666666666667 0.83333333333333 0.16666666666667 63.546 > 49 52 Cu 0.66666666666667 0.83333333333333 0.16666666666667 63.546 > 49 53 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 49 54 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 49 55 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 49 56 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 49 57 Cu 0.33333333333333 0.16666666666667 0.83333333333333 63.546 > 49 58 Cu 0.83333333333333 0.16666666666667 0.83333333333333 63.546 > 49 59 Cu 0.33333333333333 0.66666666666667 0.83333333333333 63.546 > 49 60 Cu 0.83333333333333 0.66666666666667 0.83333333333333 63.546 > 49 61 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 61 62 Br 0.50000000000000 0.00000000000000 0.00000000000000 79.904 > 61 63 Br 0.00000000000000 0.50000000000000 0.00000000000000 79.904 > 61 64 Br 0.50000000000000 0.50000000000000 0.00000000000000 79.904 > 61 65 Br 0.33333333333333 0.16666666666667 0.33333333333333 79.904 > 61 66 Br 0.83333333333333 0.16666666666667 0.33333333333333 79.904 > 61 67 Br 0.33333333333333 0.66666666666667 0.33333333333333 79.904 > 61 68 Br 0.83333333333333 0.66666666666667 0.33333333333333 79.904 > 61 69 Br 0.16666666666667 0.33333333333333 0.66666666666667 79.904 > 61 70 Br 0.66666666666667 0.33333333333333 0.66666666666667 79.904 > 61 71 Br 0.16666666666667 0.83333333333333 0.66666666666667 79.904 > 61 72 Br 0.66666666666667 0.83333333333333 0.66666666666667 79.904 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0355374 0.0000000 0.0000000 0.0000000 4.0355374 0.0000000 0.0000000 0.0000000 3.7496244 -------------------------- Born effective charges -------------------------- 1 Ba 2.8433704 0.0000000 0.0000000 -0.0000000 2.8433704 0.0000000 0.0000000 0.0000000 2.1900446 2 Ba 2.8433704 0.0000000 0.0000000 -0.0000000 2.8433704 0.0000000 0.0000000 0.0000000 2.1900446 3 O -1.8769018 -0.0000000 0.0000000 -0.0000000 -1.8769018 0.0000000 0.0000000 0.0000000 -2.1245589 4 O -1.8769018 -0.0000000 0.0000000 -0.0000000 -1.8769018 0.0000000 0.0000000 0.0000000 -2.1245589 5 Cu -0.7269243 -0.0000000 0.0000000 -0.0000000 -0.7269243 0.0000000 0.0000000 0.0000000 1.3847487 6 Br -1.2060129 -0.0000000 0.0000000 0.0000000 -1.2060129 0.0000000 0.0000000 0.0000000 -1.5157201 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: 0.00000027 (yzy) 0.00000027 (yzy) 0.00000027 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:53:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:53:39]------------------------- 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): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.145948823218266 1.238964130752224 9.663464856666657 b -2.145948823218262 1.238964130752224 9.663464856666657 c 0.000000000000002 -2.477928261504452 9.663464856666657 Atomic positions (fractional): 1 Ba 0.74805827108309 0.74805827108309 0.74805827108309 137.327 2 Ba 0.25194172891691 0.25194172891691 0.25194172891691 137.327 3 O 0.43836164197819 0.43836164197819 0.43836164197819 15.999 4 O 0.56163835802181 0.56163835802181 0.56163835802181 15.999 5 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 6 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.583795292873056 0.000000000000000 0.000000000000000 b -4.291897646436528 7.433784784513352 0.000000000000000 c 0.000000000000000 0.000000000000000 28.990394569999999 Atomic positions (fractional): 1 Ba 0.33333333333333 0.16666666666667 0.08139160441642 137.327 > 1 2 Ba 0.83333333333333 0.16666666666667 0.08139160441642 137.327 > 1 3 Ba 0.33333333333333 0.66666666666667 0.08139160441642 137.327 > 1 4 Ba 0.83333333333333 0.66666666666667 0.08139160441642 137.327 > 1 5 Ba 0.00000000000000 0.00000000000000 0.25194172891691 137.327 > 5 6 Ba 0.50000000000000 0.00000000000000 0.25194172891691 137.327 > 5 7 Ba 0.00000000000000 0.50000000000000 0.25194172891691 137.327 > 5 8 Ba 0.50000000000000 0.50000000000000 0.25194172891691 137.327 > 5 9 Ba 0.16666666666667 0.33333333333333 0.41472493774975 137.327 > 1 10 Ba 0.66666666666667 0.33333333333333 0.41472493774975 137.327 > 1 11 Ba 0.16666666666667 0.83333333333333 0.41472493774975 137.327 > 1 12 Ba 0.66666666666667 0.83333333333333 0.41472493774975 137.327 > 1 13 Ba 0.33333333333333 0.16666666666667 0.58527506225024 137.327 > 5 14 Ba 0.83333333333333 0.16666666666667 0.58527506225024 137.327 > 5 15 Ba 0.33333333333333 0.66666666666667 0.58527506225024 137.327 > 5 16 Ba 0.83333333333333 0.66666666666667 0.58527506225024 137.327 > 5 17 Ba 0.00000000000000 0.00000000000000 0.74805827108309 137.327 > 1 18 Ba 0.50000000000000 0.00000000000000 0.74805827108309 137.327 > 1 19 Ba 0.00000000000000 0.50000000000000 0.74805827108309 137.327 > 1 20 Ba 0.50000000000000 0.50000000000000 0.74805827108309 137.327 > 1 21 Ba 0.16666666666667 0.33333333333333 0.91860839558358 137.327 > 5 22 Ba 0.66666666666667 0.33333333333333 0.91860839558358 137.327 > 5 23 Ba 0.16666666666667 0.83333333333333 0.91860839558358 137.327 > 5 24 Ba 0.66666666666667 0.83333333333333 0.91860839558358 137.327 > 5 25 O 0.16666666666667 0.33333333333333 0.10502830864486 15.999 > 25 26 O 0.66666666666667 0.33333333333333 0.10502830864486 15.999 > 25 27 O 0.16666666666667 0.83333333333333 0.10502830864486 15.999 > 25 28 O 0.66666666666667 0.83333333333333 0.10502830864486 15.999 > 25 29 O 0.16666666666667 0.33333333333333 0.22830502468847 15.999 > 29 30 O 0.66666666666667 0.33333333333333 0.22830502468847 15.999 > 29 31 O 0.16666666666667 0.83333333333333 0.22830502468847 15.999 > 29 32 O 0.66666666666667 0.83333333333333 0.22830502468847 15.999 > 29 33 O 0.00000000000000 0.00000000000000 0.43836164197819 15.999 > 25 34 O 0.50000000000000 0.00000000000000 0.43836164197819 15.999 > 25 35 O 0.00000000000000 0.50000000000000 0.43836164197819 15.999 > 25 36 O 0.50000000000000 0.50000000000000 0.43836164197819 15.999 > 25 37 O 0.00000000000000 0.00000000000000 0.56163835802181 15.999 > 29 38 O 0.50000000000000 0.00000000000000 0.56163835802181 15.999 > 29 39 O 0.00000000000000 0.50000000000000 0.56163835802181 15.999 > 29 40 O 0.50000000000000 0.50000000000000 0.56163835802181 15.999 > 29 41 O 0.33333333333333 0.16666666666667 0.77169497531152 15.999 > 25 42 O 0.83333333333333 0.16666666666667 0.77169497531152 15.999 > 25 43 O 0.33333333333333 0.66666666666667 0.77169497531152 15.999 > 25 44 O 0.83333333333333 0.66666666666667 0.77169497531152 15.999 > 25 45 O 0.33333333333333 0.16666666666667 0.89497169135514 15.999 > 29 46 O 0.83333333333333 0.16666666666667 0.89497169135514 15.999 > 29 47 O 0.33333333333333 0.66666666666667 0.89497169135514 15.999 > 29 48 O 0.83333333333333 0.66666666666667 0.89497169135514 15.999 > 29 49 Cu 0.16666666666667 0.33333333333333 0.16666666666667 63.546 > 49 50 Cu 0.66666666666667 0.33333333333333 0.16666666666667 63.546 > 49 51 Cu 0.16666666666667 0.83333333333333 0.16666666666667 63.546 > 49 52 Cu 0.66666666666667 0.83333333333333 0.16666666666667 63.546 > 49 53 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 49 54 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 49 55 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 49 56 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 49 57 Cu 0.33333333333333 0.16666666666667 0.83333333333333 63.546 > 49 58 Cu 0.83333333333333 0.16666666666667 0.83333333333333 63.546 > 49 59 Cu 0.33333333333333 0.66666666666667 0.83333333333333 63.546 > 49 60 Cu 0.83333333333333 0.66666666666667 0.83333333333333 63.546 > 49 61 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 61 62 Br 0.50000000000000 0.00000000000000 0.00000000000000 79.904 > 61 63 Br 0.00000000000000 0.50000000000000 0.00000000000000 79.904 > 61 64 Br 0.50000000000000 0.50000000000000 0.00000000000000 79.904 > 61 65 Br 0.33333333333333 0.16666666666667 0.33333333333333 79.904 > 61 66 Br 0.83333333333333 0.16666666666667 0.33333333333333 79.904 > 61 67 Br 0.33333333333333 0.66666666666667 0.33333333333333 79.904 > 61 68 Br 0.83333333333333 0.66666666666667 0.33333333333333 79.904 > 61 69 Br 0.16666666666667 0.33333333333333 0.66666666666667 79.904 > 61 70 Br 0.66666666666667 0.33333333333333 0.66666666666667 79.904 > 61 71 Br 0.16666666666667 0.83333333333333 0.66666666666667 79.904 > 61 72 Br 0.66666666666667 0.83333333333333 0.66666666666667 79.904 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0355374 0.0000000 0.0000000 0.0000000 4.0355374 0.0000000 0.0000000 0.0000000 3.7496244 -------------------------- Born effective charges -------------------------- 1 Ba 2.8433704 0.0000000 0.0000000 -0.0000000 2.8433704 0.0000000 0.0000000 0.0000000 2.1900446 2 Ba 2.8433704 0.0000000 0.0000000 -0.0000000 2.8433704 0.0000000 0.0000000 0.0000000 2.1900446 3 O -1.8769018 -0.0000000 0.0000000 -0.0000000 -1.8769018 0.0000000 0.0000000 0.0000000 -2.1245589 4 O -1.8769018 -0.0000000 0.0000000 -0.0000000 -1.8769018 0.0000000 0.0000000 0.0000000 -2.1245589 5 Cu -0.7269243 -0.0000000 0.0000000 -0.0000000 -0.7269243 0.0000000 0.0000000 0.0000000 1.3847487 6 Br -1.2060129 -0.0000000 0.0000000 0.0000000 -1.2060129 0.0000000 0.0000000 0.0000000 -1.5157201 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000027 (yzy) 0.00000027 (yzy) 0.00000027 (yyz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 14 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.77, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.329 ( 0.000 0.000 0.000) 0.000 1.329 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 8.172 ( 0.000 0.000 0.000) 0.000 8.172 ( 0.000 0.000 0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 18.296 ( 0.000 0.000 0.000) 0.000 19.523 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.279 ( 13.104 7.566 -0.920) 15.159 0.423 ( 18.519 10.692 0.247) 21.385 0.792 ( 34.597 19.974 1.891) 39.994 1.357 ( 2.427 1.401 0.320) 2.821 1.545 ( 17.451 10.076 -2.032) 20.253 2.193 ( -0.298 -0.172 -0.500) 0.607 2.399 ( 3.286 1.897 2.025) 4.301 3.190 ( -3.117 -1.800 -7.869) 8.653 3.471 ( -2.425 -1.400 8.720) 9.159 3.676 ( -0.121 -0.070 0.184) 0.231 4.172 ( 0.378 0.218 -13.352) 13.359 4.504 ( -4.497 -2.597 17.454) 18.210 8.149 ( -2.019 -1.166 0.328) 2.355 8.303 ( 11.193 6.462 0.715) 12.945 9.283 ( -1.387 -0.801 -0.224) 1.618 11.053 ( 0.761 0.439 -21.587) 21.605 18.241 ( -4.680 -2.702 -1.090) 5.513 19.505 ( -4.669 -2.695 14.491) 15.461 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 13.975 8.069 -3.638) 16.542 0.812 ( 16.360 9.445 -0.746) 18.906 1.434 ( 4.085 2.359 1.471) 4.941 1.523 ( 30.219 17.447 2.294) 34.969 1.964 ( 18.193 10.504 -7.774) 22.399 2.186 ( -0.047 -0.027 -1.167) 1.169 2.518 ( 6.401 3.696 11.023) 13.272 3.096 ( -2.446 -1.412 -8.703) 9.150 3.418 ( -4.240 -2.448 8.635) 9.926 3.672 ( -0.241 -0.139 0.360) 0.455 4.140 ( -0.696 -0.402 -7.955) 7.996 4.426 ( -4.913 -2.837 6.767) 8.830 8.086 ( -3.672 -2.120 0.570) 4.278 8.629 ( 16.794 9.696 1.622) 19.459 9.239 ( -2.502 -1.445 -0.390) 2.915 11.000 ( -1.808 -1.044 -10.902) 11.100 18.100 ( -7.228 -4.173 -1.751) 8.527 19.410 ( -6.181 -3.569 7.332) 10.232 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 13.703 7.912 -7.272) 17.414 1.137 ( 13.067 7.544 -2.058) 15.229 1.535 ( 4.210 2.431 3.314) 5.884 2.118 ( 21.905 12.647 3.194) 25.495 2.185 ( 3.606 2.082 -11.715) 12.433 2.193 ( 1.245 0.719 -1.894) 2.378 2.751 ( 9.922 5.728 18.550) 21.802 3.091 ( 4.459 2.575 -6.540) 8.324 3.332 ( -4.868 -2.811 6.310) 8.451 3.667 ( -0.360 -0.208 0.495) 0.646 4.110 ( -0.279 -0.161 -6.543) 6.551 4.340 ( -2.920 -1.686 1.126) 3.555 7.994 ( -4.629 -2.672 0.686) 5.388 9.012 ( 16.493 9.522 2.185) 19.169 9.174 ( -3.129 -1.806 -0.469) 3.643 10.922 ( -3.141 -1.814 -6.831) 7.734 17.931 ( -7.234 -4.176 -1.890) 8.564 19.277 ( -6.879 -3.972 4.352) 9.058 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 12.545 7.243 -10.761) 18.045 1.377 ( 9.078 5.241 -2.921) 10.882 1.626 ( 2.983 1.722 4.480) 5.651 2.117 ( -5.491 -3.170 -4.852) 7.983 2.237 ( 3.167 1.828 -2.156) 4.245 2.516 ( 12.809 7.395 2.607) 15.018 2.949 ( 2.848 1.644 16.404) 16.730 3.192 ( 0.762 0.440 -3.686) 3.789 3.287 ( 3.075 1.776 3.997) 5.347 3.659 ( -0.460 -0.266 0.541) 0.758 4.105 ( 1.598 0.923 -6.649) 6.900 4.342 ( 3.677 2.123 -1.703) 4.575 7.891 ( -4.666 -2.694 0.681) 5.431 9.102 ( -3.147 -1.817 -0.462) 3.663 9.348 ( 12.991 7.500 2.051) 15.140 10.833 ( -3.593 -2.074 -4.231) 5.925 17.782 ( -5.663 -3.269 -1.628) 6.738 19.136 ( -6.347 -3.664 2.508) 7.746 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 11.064 6.388 -13.022) 18.243 1.527 ( 5.099 2.944 -2.147) 6.267 1.688 ( 1.818 1.050 3.338) 3.943 1.969 ( -6.825 -3.940 1.630) 8.048 2.315 ( 3.922 2.265 -1.629) 4.813 2.722 ( 5.840 3.372 1.940) 7.017 2.956 ( -4.145 -2.393 11.497) 12.453 3.146 ( -3.005 -1.735 1.032) 3.620 3.393 ( 3.799 2.194 -0.034) 4.387 3.650 ( -0.477 -0.276 0.466) 0.722 4.158 ( 4.512 2.605 -6.359) 8.221 4.479 ( 7.849 4.531 -1.036) 9.122 7.798 ( -3.753 -2.167 0.560) 4.370 9.037 ( -2.544 -1.469 -0.374) 2.961 9.592 ( 8.559 4.942 1.433) 9.987 10.748 ( -3.125 -1.804 -2.333) 4.297 17.675 ( -3.622 -2.091 -1.144) 4.336 19.016 ( -4.791 -2.766 1.328) 5.689 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 9.178 5.299 -13.356) 17.050 1.601 ( 2.118 1.223 -0.410) 2.480 1.724 ( 0.922 0.532 0.974) 1.443 1.835 ( -6.262 -3.615 7.117) 10.146 2.388 ( 2.616 1.510 -0.791) 3.122 2.802 ( 1.398 0.807 0.783) 1.794 2.877 ( -4.189 -2.419 6.863) 8.396 3.086 ( -1.950 -1.126 0.138) 2.256 3.445 ( 1.231 0.711 -0.192) 1.434 3.641 ( -0.323 -0.187 0.271) 0.461 4.247 ( 3.855 2.226 -3.656) 5.761 4.634 ( 5.452 3.148 -0.215) 6.300 7.733 ( -2.082 -1.202 0.323) 2.425 8.991 ( -1.422 -0.821 -0.212) 1.656 9.735 ( 4.184 2.416 0.693) 4.881 10.688 ( -1.821 -1.051 -0.987) 2.323 17.614 ( -1.709 -0.987 -0.579) 2.057 18.935 ( -2.559 -1.478 0.564) 3.008 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.000 0.000 0.000) 0.000 1.713 ( -0.000 -0.000 0.000) 0.000 1.717 ( 0.000 0.000 -0.000) 0.000 1.735 ( 0.000 0.000 -0.000) 0.000 2.417 ( 0.000 0.000 -0.000) 0.000 2.813 ( 0.000 0.000 -0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.457 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 -0.000) 0.000 8.975 ( 0.000 0.000 0.000) 0.000 9.782 ( 0.000 0.000 -0.000) 0.000 10.666 ( 0.000 0.000 0.000) 0.000 17.595 ( 0.000 0.000 -0.000) 0.000 18.907 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 16 (9/288) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.281 ( 0.000 15.940 0.071) 15.940 0.438 ( -0.000 21.313 4.177) 21.719 0.796 ( -0.000 39.622 2.753) 39.718 1.344 ( 0.000 2.278 -3.223) 3.947 1.546 ( 0.000 20.804 -1.534) 20.861 2.200 ( -0.000 -0.064 1.264) 1.265 2.373 ( 0.000 3.037 -4.591) 5.505 3.162 ( 0.000 -3.448 -13.175) 13.619 3.497 ( -0.000 -3.544 13.391) 13.852 3.675 ( 0.000 -0.197 -0.104) 0.223 4.138 ( 0.000 3.301 -16.336) 16.666 4.566 ( -0.000 -9.617 27.493) 29.127 8.146 ( 0.000 -2.470 -0.586) 2.538 8.305 ( -0.000 12.959 1.120) 13.007 9.286 ( -0.000 -1.504 0.417) 1.561 10.977 ( 0.000 8.133 -39.295) 40.128 18.237 ( 0.000 -5.419 -1.795) 5.709 19.558 ( -0.000 -10.047 26.391) 28.239 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 6.909 14.927 0.388) 16.453 0.756 ( 10.057 19.865 2.348) 22.389 1.326 ( 17.754 30.000 2.765) 34.969 1.443 ( 5.732 6.151 -2.721) 8.837 1.825 ( 8.889 20.166 -3.964) 22.392 2.199 ( -0.522 1.000 -0.120) 1.135 2.442 ( 5.864 0.804 2.753) 6.528 3.081 ( -1.298 -2.833 -13.074) 13.440 3.468 ( -2.549 -4.486 11.707) 12.793 3.676 ( 0.248 0.048 0.080) 0.265 4.125 ( -0.372 0.630 -9.480) 9.508 4.493 ( -4.472 -6.084 13.464) 15.436 8.110 ( -1.198 -2.928 -0.232) 3.172 8.530 ( 8.972 15.493 2.305) 18.051 9.259 ( -1.348 -1.745 0.163) 2.211 10.963 ( 0.542 0.984 -20.515) 20.546 18.137 ( -3.926 -6.754 -2.429) 8.181 19.477 ( -4.454 -7.465 13.884) 16.381 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 8.546 12.933 -2.119) 15.646 1.109 ( 8.287 19.820 0.089) 21.483 1.590 ( 2.285 11.671 -0.016) 11.893 1.909 ( 20.447 19.776 3.265) 28.633 2.086 ( 6.055 6.142 -7.890) 11.689 2.207 ( -0.552 3.203 -5.214) 6.144 2.617 ( 12.928 -0.264 13.955) 19.025 3.039 ( 1.785 1.394 -9.594) 9.858 3.389 ( -4.231 -4.963 8.563) 10.763 3.684 ( -0.113 1.110 0.471) 1.211 4.096 ( -0.660 -0.125 -7.013) 7.045 4.386 ( -4.630 -4.136 5.168) 8.078 8.049 ( -3.292 -1.886 0.200) 3.799 8.869 ( 13.122 13.113 3.316) 18.845 9.212 ( -2.525 -1.146 -0.122) 2.775 10.909 ( -1.134 -2.490 -11.744) 12.059 17.983 ( -5.608 -6.408 -2.539) 8.886 19.348 ( -5.803 -6.655 7.503) 11.587 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 8.770 10.207 -5.535) 14.551 1.400 ( 4.100 19.591 -2.085) 20.124 1.724 ( -1.942 14.080 3.347) 14.602 2.124 ( -1.501 -2.321 -9.126) 9.536 2.204 ( 1.795 1.192 -3.218) 3.873 2.370 ( 15.474 11.049 3.323) 19.302 2.866 ( 11.294 -2.453 15.470) 19.311 3.131 ( 6.407 4.270 -5.712) 9.587 3.290 ( -3.206 -4.133 5.456) 7.558 3.694 ( -1.108 2.463 1.228) 2.967 4.073 ( 0.235 -0.170 -6.336) 6.343 4.317 ( -0.305 -0.594 -0.221) 0.703 7.970 ( -5.050 0.096 0.437) 5.070 9.149 ( -2.000 0.328 0.032) 2.027 9.209 ( 11.495 8.008 3.152) 14.360 10.826 ( -1.737 -4.552 -7.165) 8.665 17.830 ( -5.252 -4.982 -2.163) 7.555 19.202 ( -5.939 -5.891 4.056) 9.297 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 8.619 6.916 -8.334) 13.841 1.609 ( -0.396 18.831 -3.595) 19.175 1.804 ( -4.787 12.121 4.930) 13.934 2.005 ( -4.219 -5.342 -4.349) 8.078 2.281 ( 3.956 4.036 -2.289) 6.097 2.651 ( 8.391 5.334 2.380) 10.224 2.977 ( 2.298 -5.695 13.398) 14.738 3.151 ( -1.704 -3.619 -0.240) 4.008 3.335 ( 5.829 2.605 -0.121) 6.386 3.691 ( -2.647 2.418 1.634) 3.940 4.084 ( 3.530 0.333 -6.573) 7.468 4.386 ( 6.675 3.064 -1.470) 7.491 7.890 ( -6.056 2.563 0.508) 6.595 9.096 ( -3.978 1.571 -0.297) 4.287 9.467 ( 10.757 3.141 2.827) 11.557 10.736 ( -1.236 -5.867 -4.237) 7.341 17.709 ( -3.840 -3.276 -1.525) 5.273 19.066 ( -4.962 -4.735 2.043) 7.157 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 8.283 3.402 -9.443) 13.014 1.724 ( -4.054 12.889 -1.920) 13.647 1.828 ( -4.011 7.373 1.177) 8.476 1.906 ( -4.663 2.706 2.044) 5.766 2.374 ( 2.195 4.329 -0.865) 4.931 2.782 ( 2.975 2.027 1.027) 3.744 2.938 ( -3.058 -3.524 8.503) 9.699 3.089 ( -1.118 -4.022 -0.037) 4.174 3.426 ( 2.491 1.619 -0.243) 2.981 3.667 ( -2.373 1.289 0.883) 2.841 4.162 ( 6.217 0.346 -4.401) 7.625 4.543 ( 7.969 2.261 -0.711) 8.314 7.826 ( -6.105 4.997 0.416) 7.900 9.052 ( -4.002 3.277 -0.230) 5.177 9.637 ( 7.995 -1.399 1.938) 8.345 10.659 ( 0.231 -6.366 -2.292) 6.770 17.632 ( -2.180 -1.786 -0.833) 2.939 18.962 ( -3.139 -3.291 0.867) 4.630 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 6.881 0.436 -8.152) 10.677 1.705 ( -2.034 -3.226 4.382) 5.809 1.847 ( -5.865 13.373 -5.697) 15.674 1.901 ( -6.719 11.628 6.140) 14.766 2.420 ( 0.109 1.454 0.162) 1.467 2.811 ( 0.143 0.023 0.036) 0.149 2.883 ( -3.750 1.664 2.153) 4.633 3.052 ( 0.468 -2.207 -0.446) 2.299 3.458 ( 0.344 0.739 0.102) 0.822 3.649 ( -1.056 0.623 0.250) 1.251 4.243 ( 4.264 -1.589 -0.659) 4.598 4.655 ( 4.249 -0.937 -0.425) 4.372 7.789 ( -5.187 6.896 0.172) 8.631 9.027 ( -3.390 4.619 -0.068) 5.730 9.718 ( 4.904 -4.753 1.110) 6.919 10.616 ( 2.313 -5.945 -1.030) 6.462 17.596 ( -0.586 -0.634 -0.205) 0.887 18.906 ( -0.796 -1.736 0.163) 1.917 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -0.412 -3.895 1.863) 4.337 1.683 ( 3.399 -2.255 0.157) 4.082 1.851 ( -6.290 12.584 -6.366) 15.442 1.899 ( -10.093 12.637 7.138) 17.678 2.418 ( -1.100 0.205 -0.319) 1.163 2.808 ( -0.205 -0.323 -0.768) 0.859 2.859 ( -1.687 3.293 -4.220) 5.612 3.053 ( 1.760 -1.343 -0.073) 2.215 3.459 ( -0.789 0.108 0.322) 0.859 3.647 ( -0.139 1.039 -0.253) 1.079 4.257 ( 0.199 -3.901 3.028) 4.942 4.655 ( -1.173 -4.127 -0.426) 4.311 7.788 ( -3.487 7.884 -0.143) 8.622 9.028 ( -2.243 5.274 0.134) 5.733 9.715 ( 1.264 -6.878 0.397) 7.004 10.619 ( 4.439 -4.714 -0.105) 6.476 17.598 ( 1.016 0.272 0.323) 1.101 18.904 ( 1.741 -0.250 -0.322) 1.788 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -5.967 -6.448 9.015) 12.588 1.719 ( -4.357 7.236 -2.603) 8.839 1.844 ( -11.055 10.253 5.002) 15.886 1.885 ( 2.177 6.649 -3.862) 7.991 2.378 ( -4.066 0.223 0.284) 4.082 2.771 ( -3.563 -1.799 -1.897) 4.419 2.873 ( 2.914 0.296 -8.793) 9.268 3.088 ( 3.678 -0.817 -0.312) 3.781 3.429 ( -2.648 -1.239 0.414) 2.953 3.661 ( 0.015 2.244 -0.826) 2.391 4.200 ( -2.682 -4.795 5.768) 7.966 4.546 ( -5.551 -5.721 -0.047) 7.972 7.823 ( -1.356 7.773 -0.406) 7.901 9.054 ( -0.789 5.101 0.302) 5.171 9.629 ( -3.202 -7.927 -0.270) 8.553 10.671 ( 5.994 -3.046 0.827) 6.774 17.638 ( 2.846 1.061 0.745) 3.127 18.956 ( 4.148 0.985 -0.767) 4.331 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -10.044 -5.962 9.427) 15.010 1.632 ( -15.478 9.661 2.407) 18.404 1.774 ( -9.158 9.786 -2.807) 13.694 2.027 ( 8.372 3.233 1.365) 9.078 2.296 ( -5.142 -0.857 1.923) 5.556 2.632 ( -8.966 -4.834 -2.560) 10.503 2.879 ( 2.002 -4.834 -12.632) 13.673 3.153 ( 4.644 -0.138 0.147) 4.648 3.336 ( -5.928 -3.536 0.115) 6.904 3.680 ( -0.610 2.971 -1.253) 3.282 4.132 ( -1.952 -3.188 6.147) 7.194 4.395 ( -5.553 -4.271 1.038) 7.082 7.886 ( 0.759 6.588 -0.549) 6.654 9.099 ( 0.659 4.176 0.395) 4.246 9.453 ( -8.497 -8.059 -0.840) 11.741 10.759 ( 6.579 -1.435 1.887) 6.993 17.719 ( 5.002 1.742 1.029) 5.395 19.053 ( 6.082 1.780 -1.281) 6.466 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -13.544 -4.744 6.974) 15.956 1.418 ( -19.472 5.591 2.743) 20.444 1.696 ( -10.589 9.406 -4.091) 14.743 2.177 ( 2.630 -0.605 4.823) 5.526 2.236 ( -0.308 1.757 5.278) 5.571 2.351 ( -17.179 -7.859 -1.839) 18.980 2.748 ( -4.953 -10.226 -15.777) 19.443 3.171 ( -6.596 -3.223 4.329) 8.522 3.252 ( 4.851 0.619 -4.141) 6.408 3.686 ( -1.255 2.126 -0.898) 2.627 4.113 ( 0.384 -0.956 4.385) 4.505 4.322 ( -0.226 -0.739 1.109) 1.352 7.967 ( 2.416 4.583 -0.554) 5.210 9.149 ( -0.335 0.935 0.248) 1.023 9.194 ( -11.887 -5.356 -0.926) 13.071 10.864 ( 6.151 -0.283 2.865) 6.791 17.842 ( 7.188 2.092 1.085) 7.565 19.180 ( 7.175 1.946 -1.842) 7.659 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -15.928 -3.051 3.327) 16.555 1.113 ( -21.737 1.674 1.222) 21.835 1.582 ( -10.673 5.654 -2.043) 12.250 1.892 ( -27.391 -7.497 -1.430) 28.434 2.131 ( -5.574 -4.497 4.488) 8.452 2.260 ( -8.075 2.930 8.580) 12.141 2.508 ( -3.272 -8.246 -14.871) 17.316 3.091 ( -0.559 -0.404 3.133) 3.208 3.340 ( 5.066 0.813 -3.191) 6.042 3.681 ( -0.805 0.817 -0.343) 1.198 4.137 ( 1.546 0.005 3.106) 3.470 4.361 ( 3.801 0.809 -0.888) 3.986 8.047 ( 3.273 2.202 -0.388) 3.964 8.854 ( -17.971 -4.923 -0.741) 18.648 9.213 ( 2.265 1.415 0.263) 2.684 10.965 ( 4.971 0.217 3.101) 5.863 17.996 ( 8.548 1.655 0.778) 8.742 19.311 ( 7.070 1.348 -2.046) 7.482 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -16.458 0.000 0.000) 16.458 0.747 ( -22.577 0.000 0.000) 22.577 1.316 ( -35.265 0.000 0.000) 35.265 1.454 ( -7.909 0.000 0.000) 7.909 1.840 ( -22.211 0.000 0.000) 22.211 2.199 ( -1.089 0.000 0.000) 1.089 2.431 ( -2.391 0.000 0.000) 2.391 3.138 ( 4.397 -0.000 -0.000) 4.397 3.414 ( 3.850 -0.000 -0.000) 3.850 3.676 ( -0.159 0.000 0.000) 0.159 4.170 ( 1.668 -0.000 -0.000) 1.668 4.433 ( 4.040 -0.000 -0.000) 4.040 8.111 ( 3.152 -0.000 -0.000) 3.152 8.521 ( -17.788 0.000 0.000) 17.788 9.258 ( 2.173 -0.000 -0.000) 2.173 11.042 ( 3.400 -0.000 -0.000) 3.400 18.147 ( 7.897 -0.000 -0.000) 7.897 19.422 ( 5.604 -0.000 -0.000) 5.604 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -0.000 18.385 3.944) 18.804 0.853 ( -0.000 19.361 4.617) 19.904 1.380 ( 0.000 3.613 -5.477) 6.561 1.525 ( -0.000 34.140 2.725) 34.249 2.011 ( 0.000 26.362 -3.406) 26.582 2.209 ( -0.000 0.288 1.723) 1.747 2.399 ( 0.000 0.452 -2.413) 2.455 3.032 ( 0.000 -1.636 -13.299) 13.399 3.468 ( -0.000 -5.751 10.871) 12.299 3.669 ( 0.000 -0.355 -0.108) 0.371 4.117 ( 0.000 0.836 -7.073) 7.122 4.498 ( -0.000 -7.394 12.343) 14.388 8.076 ( 0.000 -4.348 -0.801) 4.421 8.641 ( -0.000 19.696 3.204) 19.954 9.247 ( -0.000 -2.801 0.592) 2.863 10.923 ( 0.000 1.546 -19.899) 19.959 18.089 ( 0.000 -8.206 -2.769) 8.661 19.465 ( -0.000 -9.726 13.301) 16.477 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 2.266 17.498 3.846) 18.058 1.148 ( 10.306 18.700 3.495) 21.636 1.527 ( 12.288 5.179 -5.132) 14.288 1.900 ( 7.822 26.146 2.584) 27.413 2.172 ( -3.875 10.786 -0.896) 11.496 2.242 ( -0.784 7.600 -11.589) 13.881 2.452 ( 7.817 -0.366 9.614) 12.397 3.011 ( 0.927 2.902 -10.136) 10.584 3.413 ( -2.418 -6.173 8.478) 10.763 3.678 ( 1.330 0.087 0.047) 1.334 4.101 ( -1.085 0.904 -5.226) 5.414 4.425 ( -3.467 -5.674 7.001) 9.656 8.040 ( 0.756 -4.068 -0.508) 4.168 8.881 ( 4.666 18.292 4.362) 19.375 9.218 ( -0.272 -2.575 0.367) 2.615 10.876 ( -1.126 -1.252 -14.205) 14.305 17.978 ( -2.798 -7.895 -2.822) 8.839 19.370 ( -3.290 -9.203 8.877) 13.203 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 2.738 14.682 1.275) 14.990 1.508 ( 8.655 20.044 0.648) 21.843 1.793 ( 10.982 8.211 -2.548) 13.947 2.176 ( -5.702 6.427 -9.999) 13.184 2.182 ( -0.220 -1.163 -2.143) 2.448 2.278 ( 9.666 15.575 2.274) 18.472 2.662 ( 11.664 -1.186 12.132) 16.871 3.077 ( 3.784 6.255 -6.582) 9.837 3.321 ( -3.693 -5.403 5.918) 8.824 3.712 ( 1.691 1.125 0.742) 2.162 4.078 ( -1.658 1.465 -4.128) 4.684 4.335 ( -2.965 -2.418 1.587) 4.142 8.018 ( -0.241 -1.355 -0.105) 1.380 9.135 ( 5.700 11.013 4.466) 13.180 9.197 ( 0.048 0.504 0.429) 0.663 10.791 ( -2.208 -4.298 -9.461) 10.623 17.845 ( -3.760 -6.295 -2.447) 7.730 19.235 ( -4.615 -8.017 5.122) 10.574 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 2.746 11.198 -1.961) 11.696 1.799 ( 3.321 19.276 -3.263) 19.830 1.914 ( -1.956 -2.170 -1.174) 3.148 2.139 ( -7.128 15.542 -2.781) 17.323 2.219 ( 6.663 2.138 -3.398) 7.779 2.565 ( 9.436 7.423 3.009) 12.377 2.826 ( 9.573 -7.806 10.448) 16.179 3.151 ( -0.922 -1.988 -0.438) 2.235 3.279 ( 3.077 2.995 0.294) 4.304 3.747 ( 0.185 1.464 2.104) 2.570 4.049 ( -1.450 0.777 -4.604) 4.889 4.326 ( 2.687 1.972 -1.254) 3.561 8.004 ( -2.478 3.162 0.169) 4.021 9.169 ( -1.859 2.018 0.037) 2.744 9.352 ( 6.947 4.559 4.194) 9.308 10.680 ( -1.978 -7.167 -6.049) 9.584 17.729 ( -3.330 -4.279 -1.770) 5.703 19.097 ( -4.521 -6.520 2.636) 8.361 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 2.943 7.446 -4.669) 9.268 1.785 ( -1.654 -10.238 -1.623) 10.497 2.000 ( -3.178 21.875 -4.472) 22.553 2.152 ( -8.345 14.716 3.401) 17.256 2.375 ( 4.230 7.072 -1.963) 8.471 2.743 ( 5.190 2.961 1.724) 6.218 2.899 ( 5.683 -6.129 7.128) 10.985 3.072 ( -2.600 -4.233 1.051) 5.078 3.392 ( 4.120 3.492 -0.800) 5.459 3.743 ( -3.297 1.652 2.308) 4.350 4.053 ( 3.810 -0.633 -4.923) 6.257 4.433 ( 6.783 2.064 -0.877) 7.144 7.996 ( -5.049 8.136 0.278) 9.579 9.162 ( -3.278 5.304 -0.084) 6.236 9.486 ( 7.025 -2.867 3.256) 8.257 10.567 ( -0.186 -9.520 -3.655) 10.199 17.646 ( -2.251 -2.490 -1.023) 3.509 18.980 ( -3.373 -4.840 1.149) 6.011 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 3.606 3.866 -6.333) 8.250 1.673 ( -0.293 -9.444 2.591) 9.797 2.102 ( -6.514 18.374 -6.208) 20.459 2.176 ( -7.322 16.322 4.046) 18.341 2.447 ( -0.737 2.177 2.022) 3.061 2.807 ( 0.906 0.370 0.430) 1.069 2.953 ( 0.796 3.155 0.996) 3.403 3.015 ( -0.085 -2.956 0.814) 3.068 3.461 ( 1.128 2.320 -0.092) 2.581 3.696 ( -3.713 1.117 0.903) 3.982 4.123 ( 6.588 -2.919 -1.600) 7.381 4.550 ( 6.263 -1.341 -0.555) 6.429 7.993 ( -7.136 12.043 0.191) 13.999 9.161 ( -4.580 8.071 -0.035) 9.280 9.552 ( 6.892 -8.463 2.216) 11.137 10.483 ( 2.875 -10.656 -2.049) 11.225 17.600 ( -0.999 -1.163 -0.376) 1.579 18.902 ( -1.502 -3.138 0.314) 3.493 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 3.959 1.000 -6.431) 7.617 1.608 ( 1.173 -7.405 5.720) 9.430 2.119 ( -8.703 15.696 -4.499) 18.502 2.226 ( -8.462 17.377 3.429) 19.630 2.433 ( -1.448 -0.498 2.321) 2.781 2.808 ( -0.426 -0.118 -0.850) 0.959 2.960 ( -3.751 4.315 -4.248) 7.123 3.011 ( 0.253 -0.331 1.364) 1.427 3.482 ( -0.993 1.933 0.253) 2.188 3.664 ( -1.045 1.012 -0.109) 1.459 4.180 ( 4.410 -5.239 2.320) 7.230 4.595 ( 2.715 -4.743 -0.794) 5.522 7.990 ( -7.944 13.560 -0.042) 15.716 9.162 ( -5.204 9.106 0.100) 10.488 9.568 ( 5.880 -11.182 1.323) 12.704 10.456 ( 6.257 -9.856 -0.978) 11.715 17.588 ( 0.321 -0.260 0.104) 0.426 18.873 ( 0.770 -1.575 -0.144) 1.759 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -2.034 -3.515 3.362) 5.272 1.639 ( 7.390 -1.623 -1.589) 7.731 2.109 ( -8.862 15.300 -4.139) 18.159 2.211 ( -13.887 14.755 6.959) 21.424 2.426 ( -0.270 1.150 -0.601) 1.325 2.788 ( -1.080 -1.367 -1.859) 2.547 2.889 ( -6.642 1.743 -6.098) 9.184 3.019 ( 2.483 -2.125 0.559) 3.316 3.466 ( -2.467 0.426 0.425) 2.539 3.679 ( 0.444 2.832 -1.137) 3.084 4.177 ( 0.887 -6.166 5.106) 8.054 4.547 ( -1.639 -6.180 -0.935) 6.461 7.989 ( -7.014 12.208 -0.256) 14.081 9.163 ( -4.614 7.957 0.216) 9.201 9.539 ( 3.088 -10.878 0.575) 11.322 10.498 ( 8.722 -7.215 -0.166) 11.320 17.607 ( 1.842 0.344 0.408) 1.918 18.896 ( 3.123 -0.317 -0.406) 3.166 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -6.573 -3.219 5.676) 9.262 1.775 ( 8.834 1.325 -3.250) 9.505 2.077 ( -16.773 11.861 4.726) 21.079 2.116 ( -7.975 13.225 -1.138) 15.485 2.406 ( -5.804 2.862 2.015) 6.778 2.710 ( -5.825 -3.364 -2.535) 7.189 2.773 ( -1.115 -6.634 -8.270) 10.660 3.067 ( 4.775 -0.884 0.249) 4.862 3.403 ( -4.870 -1.504 0.424) 5.115 3.713 ( 0.032 3.309 -1.680) 3.711 4.133 ( -0.824 -4.606 5.335) 7.096 4.437 ( -4.312 -4.753 -0.350) 6.427 7.991 ( -4.602 8.611 -0.327) 9.769 9.164 ( -2.901 5.328 0.248) 6.071 9.460 ( -1.768 -8.287 -0.016) 8.473 10.600 ( 9.577 -3.918 0.489) 10.359 17.659 ( 3.715 0.699 0.527) 3.816 18.966 ( 5.232 0.463 -0.558) 5.282 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -10.779 -1.904 3.628) 11.531 1.834 ( -18.952 8.187 -0.183) 20.646 1.908 ( -2.024 2.501 0.050) 3.218 2.156 ( -0.449 8.111 -0.228) 8.126 2.306 ( -6.858 0.576 5.885) 9.056 2.527 ( -11.176 -3.583 -1.882) 11.886 2.669 ( -0.835 -9.191 -8.531) 12.568 3.153 ( 5.720 0.052 0.120) 5.721 3.279 ( -7.579 -1.919 0.194) 7.821 3.726 ( -1.100 1.764 -0.995) 2.304 4.105 ( 0.065 -1.563 2.734) 3.150 4.339 ( -2.952 -1.663 0.426) 3.415 8.001 ( -1.511 4.059 -0.243) 4.338 9.170 ( -0.877 2.267 0.188) 2.438 9.318 ( -7.923 -4.330 -0.278) 9.033 10.733 ( 8.940 -1.282 0.751) 9.063 17.747 ( 5.867 0.685 0.418) 5.922 19.071 ( 6.763 0.604 -0.540) 6.812 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -14.196 0.000 0.000) 14.196 1.505 ( -22.749 0.000 0.000) 22.749 1.813 ( -11.841 0.000 0.000) 11.841 2.162 ( -1.838 0.000 0.000) 1.838 2.245 ( -18.153 0.000 0.000) 18.153 2.355 ( 5.165 -0.000 -0.000) 5.165 2.514 ( -9.832 0.000 0.000) 9.832 3.147 ( -6.108 0.000 0.000) 6.108 3.250 ( 5.673 -0.000 -0.000) 5.673 3.708 ( -1.710 0.000 0.000) 1.710 4.114 ( 1.245 -0.000 -0.000) 1.245 4.319 ( 1.142 -0.000 -0.000) 1.142 8.018 ( 1.363 -0.000 -0.000) 1.363 9.099 ( -13.419 0.000 0.000) 13.419 9.195 ( 0.307 -0.000 -0.000) 0.307 10.865 ( 7.288 -0.000 -0.000) 7.288 17.866 ( 7.795 -0.000 -0.000) 7.795 19.193 ( 7.415 -0.000 -0.000) 7.415 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -0.000 19.289 6.235) 20.272 1.216 ( -0.000 15.402 4.839) 16.144 1.428 ( 0.000 4.580 -5.736) 7.340 2.090 ( 0.000 20.396 -0.039) 20.396 2.229 ( -0.000 1.072 0.846) 1.366 2.282 ( 0.000 0.009 -15.297) 15.297 2.502 ( -0.000 15.683 10.549) 18.901 3.026 ( 0.000 6.933 -8.104) 10.665 3.391 ( -0.000 -6.496 6.833) 9.428 3.661 ( -0.000 -0.443 0.031) 0.444 4.114 ( 0.000 2.065 -3.651) 4.194 4.418 ( -0.000 -4.980 5.171) 7.179 7.978 ( 0.000 -5.242 -0.550) 5.271 9.048 ( -0.000 19.532 5.199) 20.212 9.186 ( -0.000 -3.646 0.464) 3.676 10.844 ( 0.000 -1.323 -12.850) 12.918 17.916 ( 0.000 -7.937 -2.780) 8.410 19.323 ( -0.000 -10.033 7.454) 12.499 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -1.399 17.262 5.331) 18.121 1.472 ( 12.394 11.168 1.232) 16.729 1.612 ( 14.343 8.157 -2.353) 16.668 2.114 ( -0.389 -7.896 -12.360) 14.672 2.265 ( 1.835 2.392 -0.845) 3.131 2.358 ( 1.460 16.110 1.107) 16.214 2.645 ( -1.257 9.384 8.820) 12.940 3.096 ( 0.888 8.457 -5.435) 10.092 3.330 ( -1.899 -5.197 4.831) 7.345 3.678 ( 2.285 -0.302 0.267) 2.320 4.124 ( -1.360 3.843 -2.305) 4.684 4.365 ( -2.575 -2.107 1.471) 3.638 7.956 ( 3.118 -4.276 -0.260) 5.298 9.163 ( 1.157 -2.660 0.432) 2.933 9.244 ( 0.519 15.681 5.447) 16.608 10.775 ( -2.541 -2.963 -9.886) 10.629 17.822 ( -1.745 -6.636 -2.418) 7.275 19.223 ( -2.377 -9.237 4.934) 10.738 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -1.910 14.057 2.887) 14.477 1.740 ( 8.108 -1.042 -5.792) 10.019 1.951 ( 10.647 13.908 1.838) 17.612 2.051 ( 8.861 -3.532 -8.734) 12.933 2.342 ( 1.746 8.375 -0.311) 8.561 2.531 ( 3.626 9.068 2.225) 10.017 2.689 ( 0.040 -0.914 7.875) 7.928 3.149 ( -0.623 0.013 -0.990) 1.170 3.291 ( -0.219 2.938 0.899) 3.080 3.720 ( 2.910 -0.834 0.848) 3.144 4.120 ( -3.917 4.263 -1.522) 5.986 4.329 ( -0.854 2.099 -1.391) 2.659 7.997 ( 4.598 -0.744 -0.028) 4.658 9.176 ( 2.161 -0.486 0.161) 2.221 9.378 ( -0.677 9.204 5.215) 10.600 10.655 ( -4.355 -5.501 -6.984) 9.899 17.728 ( -2.241 -4.715 -1.792) 5.520 19.101 ( -3.357 -7.655 2.741) 8.797 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -2.330 10.433 -0.080) 10.690 1.678 ( -0.136 -11.718 -6.221) 13.268 2.203 ( 2.729 12.846 -1.006) 13.171 2.264 ( 9.440 8.357 -0.986) 12.646 2.472 ( -3.064 16.331 -0.627) 16.628 2.650 ( 7.909 -3.785 2.199) 9.040 2.734 ( 6.608 -0.838 5.297) 8.510 3.085 ( -2.858 -4.137 1.695) 5.306 3.369 ( 3.043 5.404 -1.082) 6.295 3.758 ( 2.525 -1.196 1.629) 3.234 4.065 ( -5.419 2.858 -2.960) 6.804 4.373 ( 2.717 3.111 -1.041) 4.259 8.087 ( 3.376 5.194 0.041) 6.195 9.224 ( 1.756 3.554 0.075) 3.965 9.422 ( -0.975 0.637 4.358) 4.511 10.499 ( -4.160 -8.704 -4.657) 10.712 17.653 ( -1.891 -2.880 -1.085) 3.612 18.986 ( -3.128 -5.795 1.264) 6.706 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -1.897 6.427 -3.390) 7.509 1.563 ( 1.222 -11.034 -1.175) 11.163 2.313 ( -0.993 9.594 -1.602) 9.778 2.427 ( -3.460 12.493 2.295) 13.165 2.499 ( -2.247 4.722 0.127) 5.231 2.772 ( 5.016 1.761 0.189) 5.320 2.895 ( 7.947 3.294 -0.413) 8.612 3.020 ( -0.978 -1.275 2.946) 3.356 3.462 ( 2.524 4.201 -0.568) 4.934 3.776 ( -1.598 0.724 2.071) 2.714 4.011 ( 0.174 -1.565 -3.026) 3.412 4.446 ( 4.130 -0.423 -0.408) 4.172 8.197 ( -0.780 12.329 -0.045) 12.354 9.295 ( -0.484 8.352 0.047) 8.366 9.392 ( 1.129 -8.190 3.346) 8.919 10.341 ( -1.097 -12.086 -2.949) 12.489 17.605 ( -1.141 -1.483 -0.477) 1.931 18.898 ( -1.984 -3.934 0.411) 4.425 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.343 1.938 -6.806) 7.085 1.510 ( 2.500 -7.473 4.588) 9.118 2.359 ( -3.992 9.612 -2.001) 10.599 2.424 ( -3.292 3.166 0.586) 4.605 2.540 ( -3.836 10.235 3.497) 11.476 2.825 ( -0.843 2.529 -0.811) 2.787 2.938 ( 0.710 -2.105 -1.273) 2.561 3.096 ( 0.822 6.725 -0.158) 6.777 3.533 ( 0.175 5.920 -0.511) 5.945 3.720 ( -5.269 1.136 0.570) 5.420 4.034 ( 6.275 -6.115 1.005) 8.819 4.489 ( 3.746 -4.390 -0.624) 5.805 8.278 ( -7.108 17.236 -0.217) 18.645 9.336 ( 4.500 -11.060 1.292) 12.010 9.358 ( -3.563 8.379 1.098) 9.171 10.238 ( 4.928 -13.633 -1.707) 14.597 17.583 ( -0.214 -0.570 -0.055) 0.611 18.850 ( -0.227 -2.263 -0.017) 2.274 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 1.970 -1.711 -3.197) 4.127 1.522 ( 3.969 -2.730 2.926) 5.636 2.355 ( -6.455 8.902 -2.112) 11.197 2.421 ( 0.524 1.431 -0.167) 1.533 2.563 ( -8.256 12.116 5.788) 15.763 2.799 ( -2.946 0.251 -2.889) 4.134 2.937 ( 1.704 -1.339 -1.493) 2.631 3.075 ( -8.381 2.259 -1.548) 8.817 3.541 ( -4.988 3.631 -0.040) 6.170 3.697 ( 0.547 3.171 -1.116) 3.406 4.076 ( 5.050 -6.796 4.081) 9.399 4.483 ( 1.751 -5.573 -1.057) 5.936 8.277 ( -11.501 14.981 -0.280) 18.889 9.326 ( 8.291 -13.035 0.975) 15.479 9.355 ( -7.749 9.465 0.363) 12.238 10.250 ( 10.603 -10.109 -0.735) 14.668 17.586 ( 0.900 -0.049 0.162) 0.916 18.847 ( 1.833 -0.945 -0.184) 2.070 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -1.543 -1.557 1.460) 2.633 1.613 ( 8.480 -0.490 -0.769) 8.529 2.314 ( -5.982 5.323 -1.409) 8.130 2.451 ( -4.650 4.680 2.726) 7.139 2.510 ( -8.696 8.804 1.956) 12.528 2.729 ( -2.637 -3.410 -2.495) 4.981 2.857 ( -13.802 -1.807 -3.772) 14.422 2.986 ( 3.555 -1.334 0.753) 3.871 3.476 ( -4.774 0.324 0.202) 4.789 3.737 ( 0.135 2.998 -1.406) 3.314 4.091 ( 2.230 -4.097 3.463) 5.810 4.442 ( -1.146 -3.284 -0.709) 3.550 8.195 ( -10.477 7.220 -0.176) 12.725 9.295 ( -6.989 4.381 0.140) 8.250 9.355 ( 5.663 -6.572 0.302) 8.680 10.377 ( 12.260 -4.067 -0.097) 12.917 17.613 ( 2.309 0.154 0.183) 2.322 18.890 ( 3.882 -0.143 -0.183) 3.888 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -6.493 0.000 0.000) 6.493 1.777 ( 10.795 -0.000 -0.000) 10.795 2.220 ( -16.435 0.000 0.000) 16.435 2.266 ( -7.868 0.000 0.000) 7.868 2.548 ( -16.233 0.000 0.000) 16.233 2.570 ( 3.732 -0.000 -0.000) 3.732 2.651 ( -6.364 0.000 0.000) 6.364 3.060 ( 5.355 -0.000 -0.000) 5.355 3.387 ( -6.157 0.000 0.000) 6.157 3.746 ( -0.423 0.000 0.000) 0.423 4.097 ( 0.424 -0.000 -0.000) 0.424 4.386 ( -3.329 0.000 0.000) 3.329 8.087 ( -6.235 0.000 0.000) 6.235 9.223 ( -3.955 0.000 0.000) 3.955 9.368 ( -0.774 0.000 0.000) 0.774 10.557 ( 11.174 -0.000 -0.000) 11.174 17.667 ( 4.043 -0.000 -0.000) 4.043 18.969 ( 5.613 -0.000 -0.000) 5.613 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 3.319 -2.512) 4.162 1.408 ( -0.000 18.420 4.992) 19.084 1.581 ( -0.000 12.136 3.065) 12.517 1.981 ( 0.000 -12.872 -13.003) 18.297 2.256 ( 0.000 1.712 -1.141) 2.057 2.493 ( -0.000 12.744 0.888) 12.775 2.774 ( -0.000 6.327 7.870) 10.097 3.157 ( 0.000 5.710 -3.111) 6.503 3.317 ( -0.000 -1.581 2.663) 3.097 3.653 ( -0.000 -0.442 0.245) 0.506 4.180 ( 0.000 6.146 -0.976) 6.223 4.380 ( 0.000 0.432 -0.602) 0.741 7.876 ( -0.000 -5.042 -0.052) 5.042 9.115 ( -0.000 -3.812 0.168) 3.816 9.416 ( -0.000 15.458 5.827) 16.520 10.751 ( 0.000 -2.728 -8.635) 9.056 17.770 ( 0.000 -5.865 -2.105) 6.232 19.164 ( -0.000 -9.046 3.718) 9.781 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 2.103 8.963 3.664) 9.909 1.564 ( 5.451 6.390 -4.720) 9.635 1.798 ( 7.369 -3.130 -7.463) 10.945 1.891 ( 10.442 3.673 1.508) 11.172 2.304 ( 4.156 2.026 -1.855) 4.982 2.599 ( 0.344 8.069 1.216) 8.167 2.787 ( -4.451 1.511 6.727) 8.207 3.156 ( -1.274 -2.605 0.039) 2.900 3.336 ( -0.238 5.108 -0.195) 5.117 3.668 ( 2.022 -0.881 0.498) 2.261 4.228 ( -2.339 7.112 0.052) 7.487 4.378 ( -1.778 3.833 -2.561) 4.941 7.878 ( 5.477 -3.658 0.148) 6.587 9.108 ( 3.155 -2.820 0.032) 4.232 9.538 ( -3.245 11.576 5.421) 13.188 10.670 ( -3.917 -3.606 -6.679) 8.541 17.706 ( -0.993 -4.391 -1.583) 4.772 19.075 ( -1.678 -7.744 2.271) 8.243 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -0.119 -11.206 -9.436) 14.650 1.590 ( -4.867 11.272 3.617) 12.800 1.984 ( 19.743 -0.241 -4.150) 20.176 2.248 ( 13.752 12.967 3.883) 19.296 2.424 ( 9.200 0.050 -1.745) 9.364 2.656 ( -1.234 3.906 2.138) 4.620 2.737 ( -3.192 2.764 3.824) 5.696 3.091 ( -2.173 -4.132 0.836) 4.742 3.388 ( 0.763 4.878 -0.791) 5.000 3.695 ( 2.594 -1.867 0.828) 3.301 4.216 ( -6.688 6.041 -1.054) 9.074 4.396 ( -0.788 5.035 -1.634) 5.352 7.988 ( 9.770 -0.258 0.168) 9.775 9.169 ( 5.984 -0.178 -0.014) 5.986 9.546 ( -7.301 5.702 4.551) 10.321 10.519 ( -7.144 -5.343 -4.746) 10.105 17.649 ( -1.250 -2.804 -0.991) 3.226 18.978 ( -2.356 -5.903 1.125) 6.454 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 1.122 -10.638 -6.457) 12.494 1.595 ( -6.116 7.564 1.877) 9.906 2.268 ( 12.358 1.922 -0.986) 12.545 2.487 ( 2.393 -4.256 1.562) 5.127 2.559 ( 5.598 9.332 -0.481) 10.893 2.740 ( 3.519 9.810 -0.482) 10.434 2.790 ( 6.865 2.396 2.496) 7.688 3.028 ( -1.235 -2.281 1.223) 2.867 3.454 ( 2.641 3.727 -0.755) 4.630 3.727 ( 3.718 -2.523 1.206) 4.652 4.125 ( -9.537 4.243 -2.038) 10.635 4.421 ( -0.358 1.941 -0.337) 2.002 8.191 ( 11.372 5.151 -0.034) 12.484 9.298 ( 6.927 3.745 -0.043) 7.875 9.431 ( -9.639 -1.257 3.659) 10.387 10.314 ( -8.337 -8.044 -3.185) 12.015 17.607 ( -1.023 -1.509 -0.478) 1.885 18.895 ( -2.089 -3.961 0.413) 4.497 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 3.646 -7.068 -3.145) 8.553 1.551 ( -5.462 3.435 0.720) 6.492 2.397 ( 1.188 -0.339 1.280) 1.779 2.493 ( 3.388 1.481 0.169) 3.701 2.640 ( -2.166 4.467 -1.374) 5.151 2.856 ( 1.134 3.501 -0.362) 3.698 2.947 ( 2.508 4.596 1.432) 5.428 3.068 ( 6.306 3.029 -0.002) 6.996 3.551 ( 4.129 5.343 -0.934) 6.817 3.779 ( 4.137 -2.076 2.137) 5.098 3.979 ( -9.099 0.031 -1.707) 9.257 4.417 ( 0.233 -2.117 -0.124) 2.134 8.447 ( 8.197 12.849 -0.487) 15.249 9.212 ( -8.260 -10.659 2.237) 13.669 9.484 ( 4.956 10.156 0.782) 11.328 10.088 ( -5.347 -12.300 -2.123) 13.579 17.583 ( -0.527 -0.638 -0.134) 0.839 18.839 ( -1.067 -2.202 0.059) 2.447 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 4.855 -2.986 -0.924) 5.774 1.502 ( -2.243 0.613 0.183) 2.332 2.394 ( 0.396 -0.763 0.441) 0.966 2.539 ( -4.815 5.901 -0.773) 7.655 2.650 ( 2.922 -0.394 1.226) 3.193 2.866 ( -0.442 -0.097 -0.833) 0.948 2.971 ( -5.394 5.786 0.557) 7.930 3.160 ( 0.372 0.230 -0.912) 1.011 3.675 ( 1.238 7.871 -2.135) 8.248 3.743 ( -7.894 0.378 0.882) 7.952 3.914 ( 6.337 -6.070 1.996) 8.999 4.402 ( 1.693 -3.188 -0.420) 3.634 8.628 ( -9.393 18.228 -0.785) 20.521 9.032 ( 7.527 -17.209 1.491) 18.842 9.601 ( -8.011 12.172 0.631) 14.585 9.964 ( 9.343 -12.811 -1.124) 15.896 17.576 ( 0.167 -0.158 0.021) 0.231 18.819 ( 0.461 -0.826 -0.050) 0.947 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 3.088 -0.000 -0.000) 3.088 1.509 ( 3.231 -0.000 -0.000) 3.231 2.399 ( -0.530 0.000 0.000) 0.530 2.476 ( -3.839 0.000 0.000) 3.839 2.703 ( 1.781 -0.000 -0.000) 1.781 2.794 ( -10.659 0.000 0.000) 10.659 2.935 ( 0.475 -0.000 -0.000) 0.475 3.070 ( -10.364 0.000 0.000) 10.364 3.579 ( -7.696 0.000 0.000) 7.696 3.751 ( 0.495 -0.000 -0.000) 0.495 4.001 ( 6.227 -0.000 -0.000) 6.227 4.417 ( 1.694 -0.000 -0.000) 1.694 8.458 ( -15.898 0.000 0.000) 15.898 9.164 ( 12.531 -0.000 -0.000) 12.531 9.471 ( -10.981 0.000 0.000) 10.981 10.130 ( 14.318 -0.000 -0.000) 14.318 17.586 ( 1.099 -0.000 -0.000) 1.099 18.838 ( 2.207 -0.000 -0.000) 2.207 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 0.000 0.975 -2.799) 2.964 1.608 ( 0.000 -10.067 -15.158) 18.197 1.801 ( -0.000 11.672 6.608) 13.413 1.818 ( -0.000 9.545 5.201) 10.870 2.278 ( 0.000 1.536 -3.151) 3.505 2.660 ( -0.000 4.108 1.333) 4.319 2.836 ( -0.000 -1.905 6.031) 6.325 3.133 ( -0.000 -4.260 0.268) 4.268 3.385 ( 0.000 4.575 -0.508) 4.603 3.647 ( -0.000 -0.354 0.380) 0.519 4.324 ( -0.000 7.976 1.087) 8.050 4.434 ( 0.000 5.858 -3.732) 6.946 7.790 ( -0.000 -3.893 0.325) 3.906 9.047 ( -0.000 -3.177 -0.080) 3.178 9.690 ( -0.000 10.229 4.914) 11.348 10.660 ( 0.000 -2.888 -5.515) 6.225 17.672 ( 0.000 -3.454 -1.206) 3.659 19.023 ( -0.000 -6.775 1.510) 6.941 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -0.738 -10.668 -8.233) 13.496 1.601 ( 15.941 -0.823 -5.013) 16.731 1.840 ( -4.585 10.890 3.905) 12.445 2.096 ( 13.863 8.121 3.715) 16.490 2.326 ( 4.719 2.022 -2.434) 5.682 2.680 ( 0.209 -0.618 2.182) 2.277 2.812 ( -2.064 -0.130 3.455) 4.027 3.082 ( -1.287 -3.897 0.144) 4.106 3.419 ( 0.052 2.898 -0.484) 2.939 3.654 ( 1.069 -0.725 0.493) 1.383 4.369 ( -3.882 6.691 0.358) 7.744 4.470 ( -1.622 6.109 -2.652) 6.855 7.820 ( 7.358 -2.433 0.339) 7.757 9.060 ( 4.793 -2.009 -0.115) 5.198 9.738 ( -5.795 6.802 3.923) 9.759 10.578 ( -5.127 -2.961 -4.000) 7.145 17.637 ( -0.562 -2.282 -0.767) 2.472 18.957 ( -1.212 -5.109 0.801) 5.311 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.312 -9.306 -5.918) 11.033 1.787 ( -5.166 7.301 1.271) 9.034 1.976 ( 19.172 0.696 -1.353) 19.232 2.348 ( 8.784 -3.757 -0.744) 9.583 2.495 ( 11.069 8.691 3.142) 14.420 2.712 ( 4.912 0.993 -0.371) 5.025 2.797 ( -1.304 1.599 1.970) 2.853 3.025 ( -1.428 -2.584 0.094) 2.954 3.448 ( 1.084 1.756 -0.452) 2.112 3.667 ( 1.518 -1.268 0.619) 2.072 4.321 ( -8.245 4.756 -0.987) 9.570 4.478 ( -2.735 3.525 -0.606) 4.502 7.987 ( 13.750 -0.030 0.192) 13.752 9.168 ( 9.275 0.041 -0.061) 9.275 9.643 ( -11.854 2.630 2.692) 12.437 10.414 ( -9.766 -3.388 -2.504) 10.636 17.608 ( -0.736 -1.220 -0.380) 1.475 18.893 ( -1.737 -3.197 0.317) 3.652 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 2.791 -4.680 -2.465) 5.981 1.709 ( -8.807 3.184 0.647) 9.387 2.295 ( 15.779 1.068 -0.250) 15.817 2.383 ( 2.572 -3.709 0.244) 4.520 2.714 ( -0.274 4.463 -1.311) 4.660 2.829 ( 12.006 0.598 3.509) 12.523 2.857 ( 3.175 2.357 -1.059) 4.094 3.017 ( 3.072 0.533 -0.217) 3.125 3.503 ( 4.433 1.571 -0.445) 4.724 3.687 ( 2.657 -1.611 0.696) 3.184 4.186 ( -11.596 2.214 -0.865) 11.837 4.442 ( -3.555 0.424 0.029) 3.580 8.266 ( 18.010 2.255 -0.039) 18.151 9.347 ( 5.002 0.973 0.004) 5.096 9.431 ( -9.118 0.080 1.495) 9.240 10.183 ( -13.108 -3.619 -1.232) 13.655 17.587 ( -0.637 -0.449 -0.117) 0.788 18.843 ( -1.548 -1.405 0.069) 2.091 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 4.826 -0.000 -0.000) 4.826 1.587 ( -6.992 0.000 0.000) 6.992 2.382 ( 0.536 -0.000 -0.000) 0.536 2.520 ( 9.873 -0.000 -0.000) 9.873 2.667 ( -5.105 0.000 0.000) 5.105 2.869 ( -0.571 0.000 0.000) 0.571 3.060 ( 10.782 -0.000 -0.000) 10.782 3.066 ( -0.356 0.000 0.000) 0.356 3.623 ( 7.479 -0.000 -0.000) 7.479 3.740 ( 5.101 -0.000 -0.000) 5.101 3.984 ( -13.038 0.000 0.000) 13.038 4.389 ( -2.015 0.000 0.000) 2.015 8.603 ( 19.605 -0.000 -0.000) 19.605 9.081 ( -19.836 0.000 0.000) 19.836 9.628 ( 15.107 -0.000 -0.000) 15.107 9.920 ( -14.933 0.000 0.000) 14.933 17.577 ( -0.335 0.000 0.000) 0.335 18.817 ( -0.749 0.000 0.000) 0.749 ======================= Grid point 92 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.000 -10.401 -8.991) 13.749 1.424 ( 0.000 0.259 -1.440) 1.463 1.987 ( -0.000 5.353 4.465) 6.971 2.080 ( -0.000 12.140 1.946) 12.295 2.281 ( 0.000 0.586 -3.541) 3.589 2.654 ( -0.000 -5.031 3.097) 5.908 2.830 ( -0.000 -0.182 1.992) 2.000 3.060 ( 0.000 -2.838 -0.184) 2.844 3.438 ( 0.000 1.372 -0.309) 1.406 3.643 ( -0.000 -0.197 0.291) 0.351 4.462 ( -0.000 5.203 0.886) 5.278 4.534 ( 0.000 5.196 -2.579) 5.801 7.733 ( -0.000 -2.099 0.325) 2.124 8.997 ( 0.000 -1.811 -0.130) 1.815 9.856 ( -0.000 5.032 2.827) 5.772 10.592 ( 0.000 -1.849 -2.782) 3.340 17.621 ( 0.000 -1.496 -0.482) 1.572 18.926 ( -0.000 -3.613 0.444) 3.641 ======================= Grid point 93 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.528 -5.625 -4.055) 6.954 1.585 ( 17.604 0.017 -1.055) 17.635 2.033 ( -6.787 6.859 2.600) 9.994 2.162 ( 7.685 -1.366 -1.549) 7.958 2.396 ( 9.563 4.699 0.480) 10.666 2.629 ( 2.636 -3.884 1.326) 4.878 2.826 ( -0.811 0.197 0.843) 1.187 3.029 ( -1.161 -1.401 -0.159) 1.826 3.448 ( 0.229 0.573 -0.184) 0.644 3.646 ( 0.478 -0.240 0.210) 0.575 4.465 ( -4.507 2.760 -0.017) 5.285 4.551 ( -2.079 2.620 -0.841) 3.449 7.790 ( 8.388 -0.851 0.171) 8.432 9.033 ( 5.760 -0.728 -0.070) 5.807 9.838 ( -7.107 2.233 1.447) 7.589 10.524 ( -5.861 -1.151 -1.368) 6.128 17.607 ( -0.376 -0.678 -0.208) 0.803 18.892 ( -0.982 -1.781 0.167) 2.041 ======================= Grid point 94 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.990 -0.000 -0.000) 0.990 1.862 ( -0.698 0.000 0.000) 0.698 1.987 ( 13.305 -0.000 -0.000) 13.305 2.297 ( 6.930 -0.000 -0.000) 6.930 2.611 ( 12.229 -0.000 -0.000) 12.229 2.701 ( 7.080 -0.000 -0.000) 7.080 2.816 ( 0.109 -0.000 -0.000) 0.109 3.000 ( -1.028 0.000 0.000) 1.028 3.462 ( 1.383 -0.000 -0.000) 1.383 3.656 ( 0.919 -0.000 -0.000) 0.919 4.367 ( -8.656 0.000 0.000) 8.656 4.512 ( -3.793 0.000 0.000) 3.793 7.987 ( 15.252 -0.000 -0.000) 15.252 9.169 ( 10.624 -0.000 -0.000) 10.624 9.675 ( -13.477 0.000 0.000) 13.477 10.374 ( -10.900 0.000 0.000) 10.900 17.595 ( -0.582 0.000 0.000) 0.582 18.863 ( -1.529 0.000 0.000) 1.529 ======================= Grid point 109 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -0.000 0.000 0.000) 0.000 1.423 ( -0.000 0.000 0.000) 0.000 2.053 ( -0.000 0.000 0.000) 0.000 2.224 ( -0.000 0.000 0.000) 0.000 2.275 ( -0.000 0.000 0.000) 0.000 2.587 ( -0.000 0.000 0.000) 0.000 2.835 ( -0.000 0.000 0.000) 0.000 3.032 ( -0.000 0.000 0.000) 0.000 3.448 ( -0.000 0.000 0.000) 0.000 3.642 ( -0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 -0.000) 0.000 4.581 ( -0.000 0.000 0.000) 0.000 7.714 ( 0.000 0.000 -0.000) 0.000 8.979 ( -0.000 0.000 0.000) 0.000 9.911 ( 0.000 0.000 -0.000) 0.000 10.567 ( -0.000 0.000 0.000) 0.000 17.606 ( 0.000 0.000 -0.000) 0.000 18.892 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 218 (58/288) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.112 ( -0.000 0.000 20.867) 20.867 0.123 ( -0.000 0.000 16.577) 16.577 0.123 ( -0.000 0.000 16.577) 16.577 1.317 ( 0.000 -0.000 -3.201) 3.201 1.317 ( 0.000 -0.000 -3.201) 3.201 2.201 ( -0.000 0.000 0.895) 0.895 2.201 ( -0.000 0.000 0.895) 0.895 3.178 ( 0.000 -0.000 -14.854) 14.854 3.677 ( -0.000 0.000 0.059) 0.059 3.677 ( -0.000 0.000 0.059) 0.059 3.813 ( -0.000 0.000 14.628) 14.628 5.513 ( 0.000 -0.000 -4.157) 4.157 8.171 ( 0.000 -0.000 -0.304) 0.304 8.171 ( 0.000 -0.000 -0.304) 0.304 9.300 ( -0.000 0.000 0.222) 0.222 9.300 ( -0.000 0.000 0.222) 0.222 18.296 ( 0.000 -0.000 -0.069) 0.069 20.541 ( 0.000 -0.000 -0.264) 0.264 ======================= Grid point 219 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( 11.552 6.669 6.498) 14.837 0.441 ( 17.046 9.841 4.595) 20.212 0.823 ( 33.549 19.370 6.257) 39.242 1.348 ( 3.052 1.762 -2.676) 4.425 1.517 ( 16.817 9.709 -5.382) 20.151 2.193 ( -0.602 -0.348 0.388) 0.797 2.402 ( 7.282 4.204 -0.802) 8.446 3.089 ( -2.475 -1.429 -16.699) 16.942 3.572 ( -4.048 -2.337 14.239) 14.986 3.677 ( -0.066 -0.038 0.228) 0.240 4.055 ( 4.708 2.718 -12.064) 13.232 4.702 ( -16.647 -9.611 28.819) 34.642 8.151 ( -1.883 -1.087 0.002) 2.175 8.314 ( 11.475 6.625 2.136) 13.422 9.283 ( -1.481 -0.855 0.015) 1.710 10.728 ( 23.389 13.504 -57.191) 63.247 18.227 ( -5.030 -2.904 -2.014) 6.148 19.716 ( -18.671 -10.780 35.824) 41.811 ======================= Grid point 220 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 12.151 7.016 2.169) 14.198 0.814 ( 15.511 8.955 1.317) 17.959 1.436 ( 5.017 2.897 -0.961) 5.873 1.548 ( 29.935 17.283 4.621) 34.873 1.899 ( 16.241 9.377 -9.531) 21.037 2.180 ( -0.424 -0.245 -0.412) 0.639 2.596 ( 10.028 5.790 9.552) 15.011 3.007 ( -0.717 -0.414 -14.175) 14.199 3.496 ( -5.608 -3.238 10.721) 12.525 3.675 ( -0.191 -0.111 0.388) 0.446 4.073 ( 0.367 0.212 -8.718) 8.729 4.497 ( -8.600 -4.965 11.144) 14.926 8.090 ( -3.569 -2.061 0.261) 4.130 8.650 ( 16.907 9.761 3.853) 19.899 9.237 ( -2.573 -1.486 -0.153) 2.975 10.870 ( 3.542 2.045 -23.328) 23.684 18.081 ( -7.156 -4.131 -3.124) 8.834 19.496 ( -9.758 -5.634 14.910) 18.689 ======================= Grid point 221 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 11.827 6.828 -2.709) 13.922 1.126 ( 12.393 7.155 -0.879) 14.338 1.554 ( 5.175 2.988 1.723) 6.219 2.099 ( 4.689 2.707 -11.702) 12.894 2.146 ( 21.565 12.450 4.486) 25.302 2.180 ( 0.906 0.523 -1.499) 1.828 2.878 ( 10.470 6.045 14.968) 19.241 3.032 ( 6.492 3.748 -8.439) 11.288 3.384 ( -6.041 -3.488 7.138) 9.981 3.671 ( -0.331 -0.191 0.503) 0.632 4.055 ( 0.145 0.084 -7.735) 7.737 4.357 ( -5.065 -2.924 2.982) 6.565 7.999 ( -4.569 -2.638 0.439) 5.294 9.037 ( 16.278 9.398 4.579) 19.346 9.171 ( -3.170 -1.830 -0.260) 3.670 10.850 ( -0.759 -0.438 -12.502) 12.533 17.912 ( -6.994 -4.038 -2.941) 8.595 19.321 ( -8.496 -4.905 7.392) 12.283 ======================= Grid point 222 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 11.021 6.363 -7.465) 14.753 1.356 ( 8.742 5.047 -2.615) 10.427 1.659 ( 3.391 1.958 4.306) 5.820 2.072 ( -3.110 -1.795 -6.981) 7.850 2.220 ( 3.135 1.810 -2.425) 4.357 2.537 ( 12.401 7.159 2.932) 14.616 3.065 ( 2.987 1.725 13.553) 13.985 3.168 ( 2.094 1.209 -1.969) 3.119 3.316 ( 1.057 0.610 3.945) 4.129 3.663 ( -0.464 -0.268 0.535) 0.757 4.052 ( 1.722 0.994 -7.225) 7.494 4.330 ( 3.204 1.850 -1.417) 3.961 7.896 ( -4.654 -2.687 0.525) 5.400 9.099 ( -3.157 -1.823 -0.297) 3.658 9.371 ( 12.547 7.244 4.151) 15.071 10.790 ( -2.217 -1.280 -7.141) 7.586 17.767 ( -5.379 -3.105 -2.189) 6.585 19.159 ( -7.188 -4.150 3.619) 9.054 ======================= Grid point 223 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 10.204 5.891 -11.037) 16.145 1.503 ( 5.308 3.064 -3.849) 7.237 1.723 ( 1.399 0.808 5.694) 5.919 1.972 ( -4.481 -2.587 -0.501) 5.198 2.299 ( 4.210 2.431 -2.496) 5.464 2.734 ( 5.510 3.181 1.195) 6.474 3.037 ( -5.706 -3.295 9.914) 11.904 3.155 ( -2.929 -1.691 1.325) 3.632 3.394 ( 3.450 1.992 0.215) 3.989 3.653 ( -0.521 -0.301 0.462) 0.759 4.115 ( 5.223 3.016 -5.017) 7.845 4.469 ( 8.220 4.746 -1.578) 9.622 7.802 ( -3.793 -2.190 0.495) 4.408 9.035 ( -2.521 -1.456 -0.256) 2.923 9.609 ( 8.071 4.660 3.182) 9.848 10.725 ( -2.267 -1.309 -4.015) 4.793 17.666 ( -3.364 -1.942 -1.286) 4.092 19.027 ( -5.231 -3.020 1.567) 6.240 ======================= Grid point 224 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 9.148 5.282 -12.826) 16.617 1.578 ( 2.553 1.474 -4.936) 5.750 1.755 ( 0.207 0.120 6.402) 6.406 1.883 ( -4.269 -2.465 6.033) 7.791 2.377 ( 2.991 1.727 -1.977) 3.980 2.805 ( 1.133 0.654 0.033) 1.308 2.922 ( -5.993 -3.460 5.158) 8.631 3.084 ( -2.156 -1.245 -0.715) 2.591 3.446 ( 1.261 0.728 0.229) 1.474 3.643 ( -0.403 -0.233 0.291) 0.548 4.229 ( 4.829 2.788 -1.179) 5.699 4.630 ( 5.668 3.273 -1.007) 6.622 7.735 ( -2.171 -1.253 0.327) 2.528 8.990 ( -1.371 -0.791 -0.131) 1.588 9.746 ( 3.750 2.165 2.237) 4.874 10.676 ( -1.268 -0.732 -2.188) 2.633 17.610 ( -1.500 -0.866 -0.472) 1.795 18.939 ( -2.792 -1.612 0.439) 3.254 ======================= Grid point 225 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.587 0.339 -5.653) 5.694 1.627 ( 7.824 4.517 -12.594) 15.500 1.764 ( -0.874 -0.504 6.631) 6.707 1.800 ( -5.606 -3.237 11.704) 13.375 2.412 ( 0.397 0.229 -1.309) 1.387 2.810 ( -0.095 -0.055 -0.678) 0.687 2.827 ( -2.254 -1.301 -1.858) 3.197 3.064 ( 0.148 0.085 -0.645) 0.667 3.459 ( 0.010 0.006 0.420) 0.420 3.638 ( -0.097 -0.056 0.051) 0.124 4.297 ( 0.927 0.535 2.453) 2.677 4.694 ( 0.126 0.073 -0.867) 0.879 7.710 ( -0.115 -0.066 0.050) 0.142 8.975 ( 0.065 0.038 0.054) 0.093 9.788 ( -0.388 -0.224 1.508) 1.573 10.662 ( 0.423 0.244 -1.118) 1.220 17.595 ( 0.170 0.098 0.154) 0.249 18.907 ( -0.150 -0.086 -0.197) 0.262 ======================= Grid point 226 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -0.877 -0.506 -4.875) 4.979 1.666 ( -8.325 -4.806 12.494) 15.764 1.743 ( -2.487 -1.436 5.248) 5.983 1.777 ( 7.379 4.260 -7.883) 11.608 2.389 ( -2.176 -1.256 -0.478) 2.557 2.791 ( -1.666 -0.962 -2.427) 3.097 2.826 ( 2.667 1.540 -6.121) 6.852 3.083 ( 1.794 1.036 -0.694) 2.184 3.448 ( -1.248 -0.721 0.418) 1.501 3.640 ( 0.235 0.136 -0.196) 0.335 4.280 ( -3.092 -1.785 5.235) 6.337 4.633 ( -5.197 -3.000 -0.640) 6.034 7.731 ( 1.975 1.141 -0.254) 2.295 8.993 ( 1.482 0.856 0.252) 1.730 9.736 ( -4.574 -2.641 0.939) 5.365 10.690 ( 2.278 1.315 -0.358) 2.655 17.619 ( 1.860 1.074 0.570) 2.222 18.931 ( 2.403 1.387 -0.579) 2.835 ======================= Grid point 227 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -11.577 -6.684 13.742) 19.172 1.530 ( -3.482 -2.010 -1.517) 4.298 1.679 ( -3.764 -2.173 1.085) 4.480 1.945 ( 9.054 5.228 -4.937) 11.562 2.323 ( -3.488 -2.014 0.571) 4.068 2.706 ( -5.900 -3.406 -2.601) 7.293 2.875 ( 2.451 1.415 -9.713) 10.117 3.139 ( 3.229 1.865 -0.815) 3.817 3.394 ( -4.059 -2.343 0.125) 4.689 3.646 ( 0.423 0.244 -0.376) 0.616 4.206 ( -4.281 -2.471 6.289) 7.999 4.484 ( -7.331 -4.232 0.344) 8.472 7.794 ( 3.680 2.124 -0.514) 4.280 9.040 ( 2.585 1.492 0.418) 3.014 9.588 ( -8.957 -5.171 0.483) 10.353 10.758 ( 3.719 2.147 0.306) 4.305 17.682 ( 3.767 2.175 0.755) 4.415 19.008 ( 4.550 2.627 -0.807) 5.315 ======================= Grid point 228 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -13.662 -7.887 11.073) 19.273 1.398 ( -8.770 -5.063 2.688) 10.477 1.594 ( -3.434 -1.982 -3.875) 5.544 2.140 ( 8.210 4.740 1.019) 9.534 2.251 ( -2.948 -1.702 1.530) 3.732 2.499 ( -12.680 -7.321 -1.792) 14.751 2.835 ( -4.437 -2.562 -13.589) 14.523 3.215 ( 3.349 1.933 1.629) 4.196 3.262 ( -7.067 -4.080 -1.841) 8.365 3.655 ( 0.447 0.258 -0.439) 0.677 4.147 ( -1.914 -1.105 4.670) 5.167 4.355 ( -3.599 -2.078 1.928) 4.582 7.886 ( 4.633 2.675 -0.700) 5.396 9.106 ( 3.162 1.825 0.533) 3.690 9.341 ( -13.329 -7.695 0.256) 15.393 10.851 ( 4.360 2.517 0.652) 5.077 17.790 ( 5.793 3.345 0.646) 6.721 19.124 ( 5.949 3.435 -0.782) 6.914 ======================= Grid point 229 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -15.019 -8.671 6.929) 18.675 1.156 ( -13.482 -7.784 3.141) 15.881 1.506 ( -3.664 -2.116 -4.516) 6.189 2.099 ( -21.407 -12.359 -1.867) 24.789 2.207 ( -1.346 -0.777 1.867) 2.429 2.272 ( -1.985 -1.146 11.416) 11.644 2.611 ( -10.400 -6.004 -19.001) 22.477 3.115 ( -3.773 -2.179 -0.811) 4.432 3.307 ( 4.148 2.395 0.751) 4.848 3.664 ( 0.381 0.220 -0.387) 0.586 4.142 ( 0.459 0.265 1.782) 1.859 4.346 ( 1.802 1.040 2.738) 3.439 7.989 ( 4.643 2.681 -0.794) 5.420 9.005 ( -16.688 -9.635 0.407) 19.274 9.178 ( 3.112 1.797 0.582) 3.641 10.947 ( 4.095 2.364 -0.213) 4.734 17.939 ( 7.322 4.227 0.137) 8.456 19.261 ( 6.286 3.629 0.075) 7.259 ======================= Grid point 230 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -15.128 -8.734 2.701) 17.675 0.825 ( -16.778 -9.687 2.762) 19.570 1.414 ( -3.440 -1.986 -3.663) 5.403 1.515 ( -30.086 -17.370 0.153) 34.741 2.009 ( -21.025 -12.139 3.776) 24.570 2.196 ( -0.192 -0.111 1.634) 1.649 2.442 ( -2.586 -1.493 -8.813) 9.305 3.109 ( 3.008 1.737 -5.826) 6.783 3.401 ( 3.668 2.118 5.082) 6.615 3.670 ( 0.282 0.163 -0.261) 0.417 4.161 ( 1.024 0.591 -2.976) 3.202 4.422 ( 3.729 2.153 6.363) 7.683 8.081 ( 3.742 2.160 -0.762) 4.387 8.626 ( -16.855 -9.731 0.828) 19.480 9.242 ( 2.450 1.414 0.546) 2.881 11.021 ( 2.753 1.590 -5.572) 6.415 18.104 ( 7.245 4.183 -0.846) 8.408 19.397 ( 5.558 3.209 4.077) 7.603 ======================= Grid point 233 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( -0.000 14.102 11.887) 18.444 0.483 ( -0.000 19.769 7.773) 21.242 0.833 ( -0.000 37.844 7.277) 38.537 1.310 ( 0.000 2.015 -5.791) 6.131 1.523 ( 0.000 20.954 -4.738) 21.483 2.211 ( -0.000 0.079 1.707) 1.709 2.341 ( 0.000 4.965 -3.314) 5.969 3.043 ( 0.000 -3.003 -17.955) 18.205 3.602 ( -0.000 -4.817 12.075) 13.001 3.674 ( -0.000 -0.236 -0.003) 0.236 4.043 ( 0.000 5.828 -6.728) 8.901 4.780 ( -0.000 -21.391 26.739) 34.242 8.141 ( 0.000 -2.561 -0.725) 2.662 8.319 ( -0.000 13.392 2.489) 13.621 9.289 ( -0.000 -1.437 0.524) 1.530 10.587 ( 0.000 34.730 -58.006) 67.608 18.223 ( 0.000 -6.109 -1.775) 6.361 19.807 ( -0.000 -25.547 35.159) 43.461 ======================= Grid point 234 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 5.212 13.785 9.635) 17.607 0.782 ( 8.616 19.605 4.565) 21.896 1.356 ( 16.910 27.777 4.888) 32.884 1.416 ( 8.044 7.085 -4.343) 11.566 1.783 ( 7.240 20.137 -7.259) 22.597 2.200 ( -1.389 0.619 0.507) 1.603 2.466 ( 9.631 1.747 3.609) 10.433 2.970 ( -0.323 -1.303 -16.375) 16.430 3.553 ( -3.054 -5.471 9.825) 11.653 3.677 ( 0.394 -0.004 0.181) 0.433 4.063 ( -0.418 1.746 -6.058) 6.319 4.600 ( -7.237 -10.085 14.513) 19.097 8.108 ( -0.880 -3.057 -0.413) 3.208 8.554 ( 9.171 15.841 4.255) 18.793 9.260 ( -1.568 -1.657 0.291) 2.300 10.762 ( 5.325 9.320 -31.964) 33.718 18.116 ( -4.023 -6.882 -2.990) 8.514 19.607 ( -7.548 -12.685 19.846) 24.733 ======================= Grid point 235 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 6.060 12.295 4.873) 14.548 1.115 ( 7.016 19.695 1.545) 20.965 1.582 ( 4.364 11.429 -2.124) 12.417 1.940 ( 19.996 19.382 4.683) 28.239 2.016 ( 5.577 7.743 -10.576) 14.244 2.184 ( -1.044 0.554 -1.401) 1.834 2.710 ( 15.412 0.533 10.980) 18.931 2.960 ( 3.237 3.228 -11.663) 12.527 3.450 ( -4.965 -5.832 7.312) 10.589 3.688 ( 0.075 1.217 0.653) 1.383 4.045 ( -0.923 0.687 -6.260) 6.364 4.429 ( -6.806 -6.044 6.109) 10.962 8.050 ( -3.057 -1.979 -0.028) 3.642 8.902 ( 13.026 13.170 5.561) 19.340 9.211 ( -2.668 -1.085 0.044) 2.880 10.798 ( 1.602 0.596 -17.720) 17.802 17.961 ( -5.486 -6.232 -3.259) 8.919 19.416 ( -7.651 -8.752 10.419) 15.610 ======================= Grid point 236 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 6.225 10.122 -0.679) 11.903 1.388 ( 3.112 19.317 -1.099) 19.596 1.744 ( -0.442 14.597 2.022) 14.743 2.049 ( -0.253 -1.991 -10.972) 11.154 2.186 ( 2.017 0.952 -1.719) 2.816 2.398 ( 15.011 10.716 4.183) 18.911 2.965 ( 11.377 -2.385 10.115) 15.409 3.093 ( 8.526 4.381 -3.657) 10.260 3.328 ( -4.196 -4.925 4.543) 7.906 3.705 ( -1.016 3.005 1.729) 3.613 4.024 ( -0.138 0.485 -6.551) 6.571 4.318 ( -1.642 -1.516 0.269) 2.251 7.973 ( -4.908 0.039 0.232) 4.913 9.149 ( -2.981 0.081 0.118) 2.984 9.240 ( 11.975 8.105 5.256) 15.386 10.761 ( -0.065 -3.075 -10.277) 10.728 17.812 ( -5.006 -4.717 -2.646) 7.370 19.237 ( -6.990 -6.905 5.237) 11.134 ======================= Grid point 237 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 6.558 7.437 -5.615) 11.394 1.582 ( -0.987 18.616 -3.377) 18.945 1.843 ( -4.586 12.556 5.480) 14.447 1.966 ( -1.509 -5.154 -6.001) 8.053 2.263 ( 4.199 4.152 -2.402) 6.375 2.667 ( 7.785 5.150 1.902) 9.526 3.069 ( 2.068 -7.109 10.893) 13.171 3.150 ( -1.446 -2.805 -0.193) 3.161 3.334 ( 5.646 1.567 -0.178) 5.862 3.705 ( -3.280 2.890 1.944) 4.785 4.038 ( 3.877 0.738 -5.522) 6.787 4.374 ( 6.697 3.262 -1.748) 7.652 7.894 ( -5.998 2.519 0.365) 6.516 9.094 ( -4.026 1.606 -0.142) 4.337 9.494 ( 10.236 2.859 4.465) 11.528 10.698 ( -0.165 -5.071 -5.949) 7.819 17.697 ( -3.575 -3.032 -1.682) 4.980 19.082 ( -5.537 -5.242 2.359) 7.981 ======================= Grid point 238 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 7.120 4.393 -8.961) 12.259 1.696 ( -4.403 16.312 -4.845) 17.577 1.852 ( -2.576 -0.328 4.254) 4.983 1.920 ( -3.540 6.640 2.390) 7.895 2.366 ( 2.387 5.321 -1.369) 5.990 2.786 ( 2.606 1.902 0.200) 3.232 2.993 ( -4.389 -4.861 6.134) 8.974 3.086 ( -1.381 -4.390 -0.596) 4.641 3.426 ( 2.704 1.595 0.024) 3.140 3.673 ( -2.796 1.415 0.712) 3.213 4.138 ( 7.243 0.836 -1.801) 7.510 4.535 ( 8.133 2.529 -1.368) 8.626 7.828 ( -6.126 4.944 0.343) 7.880 9.050 ( -3.993 3.311 -0.112) 5.189 9.657 ( 7.514 -1.672 3.344) 8.392 10.637 ( 0.909 -5.915 -3.426) 6.895 17.626 ( -1.954 -1.608 -0.752) 2.640 18.968 ( -3.443 -3.533 0.794) 4.997 ======================= Grid point 239 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 7.159 1.563 -10.205) 12.564 1.725 ( -3.640 5.889 -0.631) 6.952 1.824 ( -3.730 4.324 1.169) 5.829 1.948 ( -5.523 11.061 6.409) 13.925 2.420 ( -0.368 2.630 -0.080) 2.657 2.809 ( -0.037 -0.038 -0.570) 0.572 2.889 ( -5.389 -0.109 -0.728) 5.439 3.047 ( 0.535 -1.959 -0.687) 2.143 3.460 ( 0.411 0.726 0.405) 0.927 3.650 ( -1.220 0.573 0.181) 1.360 4.248 ( 5.234 -1.099 1.952) 5.693 4.649 ( 4.307 -0.834 -1.231) 4.557 7.790 ( -5.265 6.825 0.167) 8.621 9.027 ( -3.347 4.660 0.011) 5.737 9.731 ( 4.513 -5.007 2.462) 7.176 10.604 ( 2.755 -5.656 -2.026) 6.609 17.596 ( -0.411 -0.528 -0.046) 0.671 18.906 ( -0.963 -1.840 -0.026) 2.077 ======================= Grid point 240 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 4.540 -0.301 -7.011) 8.358 1.713 ( 0.630 -3.424 5.572) 6.571 1.805 ( -7.002 11.786 -4.819) 14.531 1.956 ( -9.506 11.887 8.160) 17.270 2.415 ( -1.479 0.443 -0.485) 1.618 2.801 ( -0.389 -0.529 -1.171) 1.342 2.823 ( -3.010 2.533 -5.518) 6.777 3.051 ( 1.715 -1.092 -0.526) 2.100 3.462 ( -0.783 0.097 0.415) 0.891 3.645 ( -0.239 0.832 -0.201) 0.888 4.286 ( 0.949 -3.469 4.770) 5.974 4.649 ( -1.035 -4.089 -1.283) 4.409 7.787 ( -3.583 7.814 -0.085) 8.597 9.029 ( -2.189 5.309 0.173) 5.745 9.724 ( 0.933 -7.139 1.847) 7.433 10.614 ( 4.799 -4.465 -1.239) 6.671 17.601 ( 1.151 0.320 0.378) 1.253 18.901 ( 1.624 -0.287 -0.418) 1.701 ======================= Grid point 241 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -3.718 -5.140 5.758) 8.567 1.702 ( -3.900 4.025 -0.832) 5.666 1.846 ( 3.043 8.970 -6.708) 11.607 1.891 ( -13.317 10.404 7.370) 18.436 2.378 ( -3.552 0.501 -0.360) 3.605 2.752 ( -3.799 -1.719 -3.315) 5.327 2.815 ( 1.704 -0.416 -6.298) 6.537 3.085 ( 3.515 -0.472 -0.386) 3.568 3.432 ( -2.686 -1.225 0.252) 2.963 3.656 ( -0.003 1.839 -0.635) 1.946 4.244 ( -2.354 -4.663 6.061) 8.001 4.542 ( -5.118 -5.632 -0.886) 7.662 7.820 ( -1.444 7.742 -0.316) 7.882 9.056 ( -0.736 5.107 0.314) 5.170 9.633 ( -3.507 -8.211 1.425) 9.041 10.671 ( 6.372 -2.781 -0.772) 6.995 17.643 ( 2.952 1.069 0.502) 3.179 18.951 ( 4.025 0.971 -0.510) 4.172 ======================= Grid point 242 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -9.650 -7.545 9.144) 15.286 1.638 ( -12.601 9.733 -0.927) 15.949 1.768 ( -12.703 8.801 1.353) 15.513 2.022 ( 9.923 5.441 -3.000) 11.708 2.308 ( -4.771 0.042 1.319) 4.950 2.614 ( -8.703 -4.827 -2.326) 10.220 2.798 ( 0.296 -5.097 -8.729) 10.113 3.154 ( 4.836 0.137 0.104) 4.839 3.337 ( -6.212 -3.420 0.069) 7.091 3.673 ( -0.460 2.589 -0.882) 2.774 4.173 ( -2.319 -3.671 4.895) 6.544 4.401 ( -4.867 -4.229 0.412) 6.461 7.883 ( 0.680 6.628 -0.481) 6.680 9.102 ( 0.708 4.137 0.413) 4.218 9.455 ( -8.752 -8.340 1.230) 12.152 10.763 ( 6.976 -1.175 -0.755) 7.114 17.724 ( 5.076 1.722 0.290) 5.368 19.047 ( 5.937 1.764 -0.227) 6.198 ======================= Grid point 243 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -13.819 -6.894 6.192) 16.639 1.439 ( -19.390 4.978 2.838) 20.219 1.665 ( -10.697 9.716 -4.235) 15.059 2.197 ( 2.523 -0.619 0.670) 2.682 2.269 ( 0.338 3.465 2.471) 4.269 2.347 ( -14.534 -6.854 0.862) 16.092 2.646 ( -7.664 -9.831 -10.769) 16.473 3.173 ( -6.426 -3.065 -3.735) 8.040 3.251 ( 4.564 0.517 4.039) 6.116 3.681 ( -1.040 2.091 -0.606) 2.413 4.135 ( -0.080 -1.640 1.453) 2.193 4.334 ( 0.039 -1.243 2.112) 2.450 7.962 ( 2.347 4.723 -0.559) 5.304 9.153 ( -0.282 0.856 0.718) 1.152 9.195 ( -12.058 -5.598 1.122) 13.341 10.868 ( 6.428 -0.107 -1.926) 6.711 17.845 ( 7.208 2.053 -0.322) 7.502 19.176 ( 7.085 1.931 0.883) 7.397 ======================= Grid point 244 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -16.285 -5.139 2.241) 17.223 1.126 ( -21.752 0.597 2.359) 21.888 1.560 ( -10.454 7.078 -3.796) 13.183 1.889 ( -27.131 -6.966 0.538) 28.016 2.158 ( -4.420 -5.943 3.017) 7.997 2.309 ( -15.368 -3.093 0.156) 15.677 2.418 ( 2.823 1.053 -5.372) 6.160 3.076 ( -0.989 -0.232 -6.602) 6.680 3.354 ( 5.261 0.688 6.335) 8.263 3.679 ( -0.748 0.975 -0.191) 1.244 4.135 ( 1.086 -0.605 -3.225) 3.456 4.378 ( 4.289 0.003 5.107) 6.669 8.043 ( 3.225 2.481 -0.498) 4.099 8.858 ( -18.061 -5.025 1.902) 18.844 9.215 ( 2.305 1.215 0.350) 2.629 10.953 ( 4.549 0.178 -6.298) 7.771 17.994 ( 8.488 1.606 -1.353) 8.744 19.320 ( 7.456 1.374 4.201) 8.668 ======================= Grid point 248 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -0.000 17.059 12.005) 20.860 0.893 ( -0.000 18.925 6.225) 19.923 1.335 ( 0.000 3.636 -6.871) 7.774 1.555 ( -0.000 33.109 5.485) 33.561 1.960 ( 0.000 24.514 -9.946) 26.455 2.221 ( -0.000 0.156 1.461) 1.470 2.405 ( -0.000 2.246 3.524) 4.179 2.925 ( 0.000 0.769 -15.250) 15.270 3.541 ( -0.000 -6.681 8.109) 10.507 3.669 ( -0.000 -0.359 0.069) 0.366 4.073 ( 0.000 1.413 -4.317) 4.543 4.589 ( -0.000 -10.907 11.682) 15.982 8.070 ( 0.000 -4.318 -0.683) 4.372 8.673 ( -0.000 20.117 5.197) 20.777 9.251 ( -0.000 -2.810 0.521) 2.858 10.743 ( 0.000 8.974 -27.637) 29.057 18.067 ( 0.000 -8.289 -3.122) 8.857 19.579 ( -0.000 -14.463 16.703) 22.095 ======================= Grid point 249 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 0.909 16.366 9.711) 19.052 1.178 ( 9.178 18.502 4.636) 21.167 1.485 ( 13.050 5.364 -6.045) 15.350 1.927 ( 8.018 24.777 4.592) 26.444 2.099 ( -2.619 13.545 -15.451) 20.714 2.214 ( -1.597 0.933 1.148) 2.177 2.527 ( 8.618 3.450 10.074) 13.699 2.931 ( 1.521 5.421 -11.234) 12.566 3.469 ( -2.649 -7.018 6.222) 9.746 3.680 ( 1.495 0.093 0.426) 1.557 4.065 ( -1.313 1.573 -4.262) 4.729 4.476 ( -4.537 -8.020 6.415) 11.228 8.036 ( 0.890 -4.033 -0.415) 4.151 8.921 ( 4.684 18.427 6.355) 20.046 9.221 ( -0.388 -2.588 0.311) 2.635 10.751 ( 0.313 2.850 -19.013) 19.228 17.955 ( -2.757 -7.716 -3.237) 8.810 19.444 ( -4.266 -11.975 10.773) 16.663 ======================= Grid point 250 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.748 14.060 5.195) 15.008 1.516 ( 7.330 19.471 1.458) 20.856 1.771 ( 12.697 8.210 -3.346) 15.486 2.065 ( -2.852 1.753 -15.781) 16.133 2.199 ( -2.709 3.998 2.712) 5.539 2.304 ( 10.544 15.073 4.370) 18.907 2.745 ( 11.605 -1.643 10.247) 15.569 3.026 ( 4.516 7.905 -6.954) 11.457 3.359 ( -4.060 -6.157 4.382) 8.578 3.720 ( 2.166 1.132 1.627) 2.936 4.046 ( -2.083 2.522 -4.450) 5.523 4.346 ( -4.128 -3.934 1.366) 5.864 8.017 ( -0.106 -1.349 -0.128) 1.359 9.170 ( 3.263 7.225 4.358) 9.046 9.205 ( 2.127 4.118 2.255) 5.154 10.710 ( -0.859 -2.138 -12.152) 12.368 17.826 ( -3.601 -5.971 -2.776) 7.505 19.277 ( -5.473 -9.512 5.987) 12.501 ======================= Grid point 251 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.674 11.175 0.066) 11.196 1.776 ( 2.886 15.069 -2.896) 15.614 1.894 ( -2.092 -0.221 -4.064) 4.576 2.112 ( 0.587 17.761 -4.174) 18.255 2.211 ( 1.539 2.770 0.930) 3.303 2.588 ( 9.066 7.006 3.064) 11.860 2.894 ( 9.440 -8.997 7.871) 15.232 3.145 ( 1.450 0.590 -1.296) 2.032 3.282 ( 1.056 0.839 0.749) 1.543 3.767 ( 0.680 1.244 3.294) 3.586 4.014 ( -2.334 1.549 -4.951) 5.689 4.316 ( 2.476 1.810 -1.434) 3.386 8.005 ( -2.368 3.134 0.078) 3.929 9.170 ( -1.980 2.020 0.098) 2.831 9.389 ( 6.528 4.278 5.491) 9.543 10.629 ( -0.947 -6.012 -7.475) 9.639 17.715 ( -3.109 -3.958 -1.898) 5.378 19.118 ( -5.082 -7.293 2.898) 9.350 ======================= Grid point 252 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 1.235 7.939 -4.671) 9.293 1.769 ( 0.818 -10.141 -2.173) 10.404 1.971 ( -4.765 21.797 -3.483) 22.582 2.181 ( -8.177 15.332 4.422) 17.930 2.362 ( 5.731 7.458 -1.736) 9.564 2.753 ( 4.586 2.840 0.859) 5.463 2.939 ( 5.119 -8.249 3.642) 10.369 3.082 ( -3.085 -3.794 1.617) 5.150 3.387 ( 4.468 3.596 -0.553) 5.762 3.760 ( -4.072 1.591 2.144) 4.869 4.023 ( 4.693 -0.284 -3.069) 5.614 4.424 ( 6.891 2.401 -1.337) 7.419 7.998 ( -4.989 8.072 0.167) 9.491 9.161 ( -3.323 5.348 0.015) 6.296 9.514 ( 6.538 -3.167 4.287) 8.435 10.537 ( 0.535 -8.897 -4.509) 9.989 17.639 ( -2.039 -2.254 -0.971) 3.191 18.988 ( -3.698 -5.210 1.113) 6.485 ======================= Grid point 253 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 2.552 4.660 -8.165) 9.742 1.697 ( 1.736 -9.514 4.003) 10.467 2.058 ( -7.108 19.179 -5.569) 21.199 2.208 ( -7.273 15.299 4.618) 17.558 2.463 ( -0.118 3.565 2.305) 4.247 2.806 ( 0.594 0.274 -0.635) 0.911 2.946 ( 0.175 -0.002 -2.518) 2.524 3.025 ( -0.917 -1.304 1.473) 2.171 3.461 ( 1.307 2.259 0.135) 2.613 3.701 ( -4.091 1.086 0.346) 4.247 4.121 ( 7.755 -2.568 1.134) 8.248 4.543 ( 6.208 -1.154 -1.219) 6.431 7.994 ( -7.139 11.946 0.098) 13.917 9.161 ( -4.581 8.127 0.065) 9.329 9.573 ( 6.481 -8.748 3.221) 11.354 10.465 ( 3.347 -10.288 -2.778) 11.170 17.598 ( -0.833 -1.035 -0.243) 1.350 18.904 ( -1.680 -3.283 0.167) 3.692 ======================= Grid point 254 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 4.324 2.154 -9.437) 10.602 1.659 ( 1.845 -8.078 8.008) 11.523 2.082 ( -8.961 17.011 -5.303) 19.945 2.253 ( -6.847 15.564 3.701) 17.401 2.457 ( -3.117 0.610 4.044) 5.142 2.799 ( -0.546 -0.451 -1.497) 1.656 2.924 ( -4.087 3.822 -5.454) 7.813 3.017 ( -0.242 0.041 0.291) 0.381 3.484 ( -0.877 1.829 0.169) 2.036 3.663 ( -1.265 0.810 -0.214) 1.518 4.205 ( 5.257 -4.887 4.214) 8.323 4.587 ( 2.650 -4.692 -1.532) 5.602 7.990 ( -7.980 13.462 -0.076) 15.650 9.163 ( -5.186 9.151 0.174) 10.520 9.582 ( 5.567 -11.492 2.459) 13.004 10.445 ( 6.576 -9.570 -1.830) 11.755 17.589 ( 0.439 -0.226 0.187) 0.528 18.872 ( 0.670 -1.596 -0.261) 1.751 ======================= Grid point 255 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 2.971 -0.697 -3.231) 4.444 1.645 ( 3.278 -4.446 3.747) 6.675 2.076 ( -9.085 16.383 -4.551) 19.278 2.261 ( -12.714 14.626 6.666) 20.494 2.425 ( -1.124 0.850 0.399) 1.464 2.774 ( -1.075 -1.719 -1.756) 2.682 2.843 ( -7.206 1.889 -6.146) 9.658 3.022 ( 2.244 -1.652 0.270) 2.800 3.468 ( -2.428 0.403 0.058) 2.462 3.672 ( 0.298 2.394 -0.925) 2.583 4.217 ( 1.274 -6.199 5.567) 8.428 4.537 ( -1.498 -6.091 -1.640) 6.483 7.987 ( -7.050 12.165 -0.215) 14.062 9.164 ( -4.593 7.959 0.247) 9.193 9.549 ( 2.853 -11.242 1.955) 11.762 10.492 ( 8.963 -6.930 -1.345) 11.409 17.609 ( 1.915 0.310 0.297) 1.962 18.894 ( 3.063 -0.273 -0.333) 3.093 ======================= Grid point 256 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -5.730 -4.933 6.125) 9.730 1.742 ( 7.963 2.499 -5.534) 10.013 2.081 ( -7.609 15.162 -2.898) 17.210 2.135 ( -16.863 9.321 5.479) 20.031 2.419 ( -4.715 4.516 1.692) 6.744 2.688 ( -6.411 -3.345 -3.575) 8.066 2.724 ( -1.558 -6.285 -4.302) 7.774 3.070 ( 4.681 -0.832 0.666) 4.801 3.404 ( -4.842 -1.505 -0.132) 5.073 3.702 ( 0.076 3.199 -1.255) 3.438 4.170 ( -0.989 -5.567 4.486) 7.217 4.432 ( -3.913 -4.554 -1.003) 6.087 7.989 ( -4.639 8.662 -0.255) 9.829 9.166 ( -2.875 5.273 0.260) 6.011 9.467 ( -1.920 -8.678 1.718) 9.052 10.596 ( 9.732 -3.652 -1.345) 10.481 17.661 ( 3.737 0.626 0.072) 3.790 18.964 ( 5.213 0.533 -0.044) 5.240 ======================= Grid point 257 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -10.835 -4.565 3.612) 12.300 1.817 ( -11.534 7.940 -3.917) 14.540 1.917 ( -10.513 3.086 2.207) 11.177 2.145 ( 1.230 7.781 -2.999) 8.430 2.338 ( -7.203 0.128 2.441) 7.606 2.518 ( -10.477 -2.681 -0.624) 10.833 2.628 ( -1.617 -6.068 -1.928) 6.569 3.154 ( 5.153 -0.074 0.072) 5.154 3.281 ( -7.052 -1.990 0.386) 7.337 3.720 ( -0.957 2.227 -0.642) 2.507 4.121 ( -0.377 -3.092 1.384) 3.408 4.340 ( -2.547 -1.820 -0.151) 3.134 7.999 ( -1.549 4.214 -0.210) 4.494 9.172 ( -0.825 2.148 0.271) 2.317 9.324 ( -7.991 -4.673 1.828) 9.436 10.727 ( 8.878 -1.093 -2.293) 9.234 17.746 ( 5.821 0.601 -0.516) 5.875 19.073 ( 6.869 0.671 0.849) 6.954 ======================= Grid point 258 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -14.296 -2.690 -0.325) 14.550 1.505 ( -22.470 -1.363 0.136) 22.512 1.808 ( -12.040 3.024 -1.379) 12.490 2.167 ( -1.950 -2.454 1.311) 3.397 2.246 ( -14.541 0.528 -1.143) 14.596 2.300 ( -1.645 -4.945 -10.355) 11.593 2.571 ( -6.531 8.678 11.804) 16.041 3.122 ( -6.104 0.258 -5.527) 8.238 3.276 ( 5.632 -0.440 5.652) 7.991 3.708 ( -1.729 0.467 0.249) 1.809 4.104 ( 0.658 -1.104 -2.695) 2.986 4.324 ( 1.891 -0.785 1.222) 2.385 8.018 ( 1.344 0.261 -0.060) 1.371 9.109 ( -13.235 -0.296 2.451) 13.464 9.195 ( 0.189 -0.130 0.134) 0.266 10.846 ( 6.632 0.124 -5.168) 8.409 17.860 ( 7.659 -0.062 -1.457) 7.797 19.205 ( 7.920 0.006 2.981) 8.463 ======================= Grid point 263 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.000 17.839 9.694) 20.303 1.253 ( -0.000 14.266 5.122) 15.158 1.386 ( 0.000 5.973 -5.554) 8.156 2.070 ( 0.000 7.886 -8.218) 11.389 2.185 ( 0.000 14.253 -7.226) 15.981 2.232 ( -0.000 0.609 0.096) 0.617 2.592 ( -0.000 13.202 12.968) 18.506 2.965 ( 0.000 9.242 -8.499) 12.556 3.435 ( -0.000 -7.354 4.941) 8.860 3.662 ( -0.000 -0.421 0.256) 0.492 4.087 ( 0.000 2.758 -3.464) 4.428 4.451 ( -0.000 -7.203 3.816) 8.151 7.975 ( 0.000 -5.131 -0.250) 5.137 9.093 ( -0.000 19.507 6.845) 20.673 9.189 ( -0.000 -3.707 0.260) 3.716 10.735 ( 0.000 2.133 -16.053) 16.194 17.894 ( 0.000 -7.666 -3.070) 8.258 19.383 ( -0.000 -12.396 8.437) 14.995 ======================= Grid point 264 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -2.140 16.105 6.583) 17.529 1.475 ( 12.349 7.424 -0.530) 14.419 1.603 ( 13.731 11.978 -0.158) 18.222 2.010 ( 0.103 -6.929 -15.324) 16.817 2.259 ( 1.861 2.500 -0.936) 3.254 2.373 ( 2.247 15.969 2.905) 16.386 2.723 ( -1.363 7.654 11.729) 14.072 3.056 ( 1.107 10.350 -5.470) 11.759 3.360 ( -2.027 -6.150 3.340) 7.286 3.682 ( 2.545 -0.332 0.889) 2.716 4.104 ( -1.434 4.872 -3.002) 5.899 4.372 ( -2.993 -3.840 0.304) 4.878 7.955 ( 3.128 -4.171 -0.016) 5.214 9.165 ( 1.222 -2.971 0.157) 3.217 9.290 ( 0.334 15.644 6.687) 17.017 10.694 ( -1.945 -0.646 -11.682) 11.860 17.803 ( -1.667 -6.268 -2.622) 6.996 19.262 ( -2.758 -10.807 5.365) 12.376 ======================= Grid point 265 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -3.103 13.323 2.054) 13.833 1.698 ( 6.254 -3.226 -5.303) 8.812 1.956 ( 13.795 9.676 -2.321) 17.009 1.992 ( 7.813 5.221 -4.913) 10.604 2.340 ( 2.723 7.185 -0.505) 7.700 2.551 ( 3.765 8.701 3.179) 9.999 2.751 ( -0.493 -2.298 8.821) 9.129 3.139 ( 0.351 2.737 -1.670) 3.225 3.297 ( -1.022 0.788 0.824) 1.531 3.730 ( 3.294 -1.154 2.055) 4.051 4.103 ( -4.447 5.070 -3.005) 7.383 4.317 ( -0.844 1.599 -1.719) 2.495 7.997 ( 4.587 -0.683 0.082) 4.639 9.176 ( 2.173 -0.556 0.047) 2.244 9.420 ( -0.933 8.812 5.855) 10.621 10.599 ( -3.690 -4.093 -7.784) 9.537 17.714 ( -2.095 -4.348 -1.879) 5.179 19.123 ( -3.736 -8.558 2.868) 9.768 ======================= Grid point 266 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -3.389 9.580 -3.761) 10.835 1.643 ( 0.993 -10.242 -2.886) 10.688 2.197 ( 2.663 11.541 -0.730) 11.867 2.254 ( 10.478 10.377 -1.675) 14.842 2.474 ( -2.542 16.104 1.055) 16.338 2.664 ( 6.596 -3.929 1.662) 7.855 2.769 ( 5.756 -2.373 4.327) 7.582 3.096 ( -2.471 -3.974 1.176) 4.825 3.363 ( 3.079 5.484 -0.675) 6.325 3.775 ( 2.991 -1.775 2.837) 4.488 4.039 ( -6.018 3.437 -3.948) 7.977 4.365 ( 2.926 3.446 -1.134) 4.661 8.087 ( 3.362 5.175 0.049) 6.171 9.225 ( 1.769 3.535 0.034) 3.953 9.456 ( -1.291 0.262 4.683) 4.865 10.463 ( -3.616 -7.898 -4.951) 9.999 17.645 ( -1.726 -2.601 -1.062) 3.298 18.996 ( -3.394 -6.253 1.243) 7.222 ======================= Grid point 267 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -1.874 4.775 -8.406) 9.847 1.575 ( 1.766 -8.491 3.700) 9.429 2.301 ( -2.362 11.569 -1.564) 11.911 2.448 ( -1.924 11.294 3.163) 11.886 2.502 ( -2.045 4.189 0.573) 4.697 2.768 ( 5.240 1.481 -1.103) 5.556 2.890 ( 5.773 2.439 -0.743) 6.311 3.037 ( -0.559 -1.067 1.714) 2.095 3.459 ( 2.672 4.119 -0.181) 4.913 3.791 ( -2.419 0.802 1.729) 3.080 3.993 ( 1.624 -1.512 -1.617) 2.746 4.442 ( 4.057 -0.151 -0.762) 4.130 8.196 ( -0.780 12.201 -0.111) 12.226 9.296 ( -0.439 8.215 0.024) 8.227 9.419 ( 0.770 -8.306 3.727) 9.136 10.318 ( -0.698 -11.635 -3.169) 12.079 17.601 ( -1.001 -1.327 -0.393) 1.709 18.901 ( -2.145 -4.121 0.330) 4.658 ======================= Grid point 268 (99/288) ======================= q-point: ( 0.64 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 0.653 2.065 -9.045) 9.301 1.553 ( 2.787 -6.919 6.650) 9.993 2.343 ( -5.256 11.484 -2.205) 12.821 2.427 ( -3.697 2.542 0.221) 4.492 2.573 ( -1.609 8.667 5.132) 10.200 2.816 ( -1.317 2.448 -1.534) 3.175 2.928 ( 0.209 -0.883 -1.412) 1.678 3.089 ( 0.038 6.037 -1.657) 6.260 3.529 ( 0.231 5.431 -0.511) 5.460 3.722 ( -5.615 1.224 -0.161) 5.749 4.049 ( 7.572 -5.972 3.008) 10.102 4.482 ( 3.501 -4.236 -1.114) 5.607 8.276 ( -7.062 17.056 -0.333) 18.463 9.343 ( 0.927 -1.964 0.477) 2.224 9.372 ( -0.331 -0.943 2.611) 2.796 10.223 ( 5.234 -13.319 -2.145) 14.470 17.583 ( -0.117 -0.528 0.016) 0.541 18.849 ( -0.316 -2.292 -0.099) 2.316 ======================= Grid point 269 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 3.446 1.273 -7.400) 8.262 1.560 ( 2.992 -5.418 6.563) 9.021 2.338 ( -6.932 10.081 -2.252) 12.440 2.418 ( 0.300 1.999 -0.734) 2.151 2.613 ( -7.521 10.908 7.589) 15.269 2.777 ( -3.120 -0.541 -3.189) 4.494 2.924 ( 0.473 -0.305 -1.973) 2.052 3.062 ( -7.653 2.401 -1.994) 8.265 3.539 ( -4.578 3.606 -0.627) 5.861 3.689 ( 0.146 2.735 -0.842) 2.866 4.108 ( 5.501 -7.195 4.510) 10.118 4.474 ( 1.632 -5.298 -1.422) 5.723 8.275 ( -11.429 14.931 -0.382) 18.806 9.335 ( 6.502 -10.714 1.284) 12.598 9.360 ( -6.233 6.669 1.155) 9.201 10.241 ( 10.798 -9.741 -1.525) 14.622 17.587 ( 0.949 -0.090 0.137) 0.963 18.846 ( 1.795 -0.887 -0.193) 2.011 ======================= Grid point 270 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.352 -1.847 1.277) 2.273 1.602 ( 6.757 -0.373 -1.928) 7.037 2.302 ( -6.262 6.595 -1.638) 9.240 2.465 ( 0.036 2.833 1.158) 3.060 2.530 ( -13.498 8.357 3.113) 16.178 2.715 ( -1.747 -2.793 -0.884) 3.411 2.829 ( -13.649 0.218 -3.764) 14.160 2.994 ( 2.885 -1.582 1.373) 3.565 3.475 ( -4.742 0.327 -0.456) 4.775 3.728 ( 0.176 3.483 -1.054) 3.643 4.114 ( 2.145 -6.018 2.644) 6.915 4.436 ( -1.087 -2.726 -0.849) 3.055 8.194 ( -10.444 7.315 -0.205) 12.753 9.296 ( -7.003 4.324 0.195) 8.233 9.362 ( 5.596 -7.156 1.700) 9.242 10.372 ( 12.290 -3.697 -1.339) 12.904 17.614 ( 2.301 0.069 -0.034) 2.303 18.889 ( 3.898 -0.049 0.002) 3.899 ======================= Grid point 271 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -6.715 -2.620 1.067) 7.287 1.764 ( 10.692 2.184 -3.624) 11.499 2.218 ( -15.708 -2.480 -0.685) 15.917 2.267 ( -8.401 1.556 0.169) 8.545 2.515 ( -11.301 -9.414 -4.949) 15.518 2.603 ( -1.011 10.581 4.868) 11.691 2.661 ( -6.340 1.432 2.922) 7.127 3.063 ( 5.330 -0.347 0.932) 5.422 3.384 ( -6.155 -0.030 -0.667) 6.191 3.747 ( -0.411 1.048 0.210) 1.145 4.093 ( 0.406 -2.442 -0.930) 2.645 4.384 ( -3.422 0.342 -0.407) 3.464 8.087 ( -6.228 0.147 0.013) 6.230 9.223 ( -3.957 -0.136 0.079) 3.960 9.375 ( -0.690 -0.461 1.742) 1.929 10.550 ( 10.984 0.297 -1.914) 11.153 17.665 ( 3.963 -0.090 -0.500) 3.995 18.971 ( 5.740 0.085 0.578) 5.770 ======================= Grid point 272 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -11.042 -0.795 -3.167) 11.515 1.822 ( -20.881 -7.731 -2.797) 22.441 1.913 ( 2.244 -1.481 0.934) 2.846 2.152 ( -3.662 -11.258 -1.134) 11.893 2.258 ( -7.044 2.295 -6.485) 9.846 2.544 ( -11.355 4.200 2.590) 12.380 2.744 ( 0.596 10.975 11.154) 15.659 3.153 ( 4.699 -0.094 -0.105) 4.701 3.278 ( -6.516 1.673 -0.031) 6.727 3.735 ( -1.242 -1.188 1.381) 2.205 4.081 ( 0.182 -0.081 -3.844) 3.849 4.334 ( -3.115 1.486 -0.901) 3.567 8.002 ( -1.493 -3.885 0.228) 4.168 9.169 ( -0.867 -2.447 -0.062) 2.597 9.328 ( -7.737 4.014 2.355) 9.029 10.716 ( 8.346 1.552 -3.675) 9.251 17.740 ( 5.697 -0.735 -1.247) 5.879 19.080 ( 7.145 -0.599 1.800) 7.392 ======================= Grid point 278 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 2.739 -2.998) 4.061 1.436 ( -0.000 15.941 2.557) 16.144 1.608 ( -0.000 13.278 4.126) 13.904 1.885 ( 0.000 -10.245 -12.638) 16.269 2.244 ( 0.000 1.092 -1.869) 2.164 2.503 ( -0.000 12.430 1.940) 12.580 2.848 ( -0.000 4.787 11.670) 12.614 3.134 ( 0.000 8.036 -2.955) 8.562 3.333 ( -0.000 -3.300 1.828) 3.772 3.655 ( -0.000 -0.427 0.439) 0.612 4.169 ( 0.000 7.282 -2.011) 7.555 4.370 ( 0.000 -1.026 -2.017) 2.263 7.877 ( -0.000 -4.942 0.255) 4.949 9.115 ( -0.000 -3.867 -0.065) 3.868 9.461 ( -0.000 15.007 6.295) 16.274 10.683 ( 0.000 -0.794 -9.453) 9.487 17.753 ( 0.000 -5.464 -2.229) 5.902 19.193 ( -0.000 -10.302 3.865) 11.003 ======================= Grid point 279 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 5.626 1.438 -7.129) 9.194 1.532 ( 2.947 9.127 0.351) 9.597 1.745 ( 4.073 -3.571 -5.297) 7.576 1.913 ( 12.648 9.975 3.475) 16.478 2.287 ( 4.301 1.611 -2.616) 5.286 2.612 ( 0.635 7.858 2.123) 8.165 2.848 ( -5.008 -0.276 9.643) 10.869 3.156 ( -1.082 -1.535 -0.124) 1.882 3.334 ( -0.382 4.328 -0.290) 4.354 3.673 ( 2.274 -1.009 0.996) 2.680 4.221 ( -2.709 7.884 -1.897) 8.550 4.357 ( -1.438 3.410 -2.929) 4.720 7.880 ( 5.439 -3.596 0.360) 6.530 9.107 ( 3.173 -2.856 -0.149) 4.272 9.578 ( -3.333 11.021 5.242) 12.651 10.619 ( -3.658 -2.218 -6.705) 7.953 17.694 ( -0.926 -4.011 -1.645) 4.433 19.092 ( -1.829 -8.566 2.303) 9.057 ======================= Grid point 280 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.716 -6.604 -12.140) 13.839 1.627 ( -3.977 6.876 5.375) 9.591 1.957 ( 20.280 0.957 -3.169) 20.548 2.273 ( 12.812 13.107 2.876) 18.553 2.407 ( 9.626 0.543 -2.932) 10.077 2.677 ( -0.755 3.156 3.250) 4.593 2.772 ( -4.205 0.923 5.476) 6.966 3.096 ( -1.975 -4.218 0.511) 4.686 3.384 ( 0.715 4.966 -0.389) 5.033 3.704 ( 2.842 -2.202 1.642) 3.953 4.199 ( -7.151 6.444 -3.611) 10.281 4.386 ( -0.323 5.421 -0.921) 5.508 7.990 ( 9.689 -0.239 0.283) 9.696 9.169 ( 6.024 -0.191 -0.123) 6.028 9.578 ( -7.389 5.128 3.930) 9.815 10.485 ( -6.878 -4.412 -4.300) 9.234 17.641 ( -1.149 -2.511 -1.003) 2.938 18.987 ( -2.513 -6.360 1.130) 6.931 ======================= Grid point 281 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 1.450 -7.596 -7.295) 10.631 1.612 ( -5.948 5.481 2.580) 8.490 2.264 ( 13.445 2.105 -0.238) 13.611 2.499 ( 3.157 -3.399 1.489) 4.872 2.553 ( 3.936 7.614 -1.212) 8.657 2.735 ( 3.870 10.161 -0.654) 10.893 2.813 ( 5.411 2.031 3.298) 6.654 3.034 ( -0.881 -2.534 0.646) 2.759 3.451 ( 2.618 3.694 -0.062) 4.528 3.739 ( 4.066 -2.935 2.085) 5.430 4.104 ( -9.566 4.879 -3.614) 11.330 4.419 ( -0.335 2.199 -0.047) 2.225 8.191 ( 11.233 5.122 0.061) 12.346 9.298 ( 6.875 3.708 -0.087) 7.811 9.456 ( -9.504 -1.761 2.888) 10.089 10.292 ( -8.199 -7.411 -2.623) 11.359 17.604 ( -0.926 -1.333 -0.460) 1.687 18.898 ( -2.204 -4.166 0.411) 4.731 ======================= Grid point 282 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 3.578 -4.748 -3.265) 6.782 1.557 ( -4.993 2.009 1.018) 5.478 2.411 ( 1.029 -0.563 2.488) 2.750 2.490 ( 3.041 1.316 -0.964) 3.451 2.633 ( -1.119 4.386 -0.796) 4.596 2.852 ( 0.841 3.294 -0.624) 3.456 2.958 ( 2.207 5.903 1.660) 6.517 3.064 ( 5.655 2.079 -1.047) 6.115 3.547 ( 3.862 5.052 -0.341) 6.368 3.796 ( 4.254 -2.122 2.449) 5.348 3.965 ( -8.278 0.308 -2.028) 8.529 4.415 ( 0.003 -1.953 -0.196) 1.963 8.444 ( 7.974 12.752 -0.363) 15.045 9.226 ( -8.025 -11.044 1.733) 13.761 9.490 ( 4.999 10.112 0.738) 11.304 10.073 ( -5.365 -11.875 -1.780) 13.152 17.582 ( -0.457 -0.573 -0.107) 0.741 18.839 ( -1.135 -2.250 0.048) 2.521 ======================= Grid point 283 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 3.781 -0.791 -3.056) 4.925 1.511 ( -1.014 -0.997 2.311) 2.714 2.397 ( 0.016 -1.047 0.325) 1.096 2.533 ( -4.892 6.452 -0.865) 8.143 2.658 ( 3.707 -1.359 0.946) 4.060 2.862 ( -0.556 0.400 -0.254) 0.731 2.979 ( -5.975 5.690 1.624) 8.409 3.148 ( 0.339 0.910 -2.313) 2.509 3.661 ( 0.740 7.599 -1.773) 7.839 3.746 ( -8.002 0.972 0.115) 8.062 3.931 ( 7.354 -7.058 2.558) 10.509 4.399 ( 1.498 -2.848 -0.522) 3.260 8.622 ( -9.123 18.072 -0.938) 20.267 9.044 ( 7.277 -17.631 1.817) 19.160 9.607 ( -8.334 12.118 0.873) 14.733 9.954 ( 9.667 -12.354 -1.486) 15.757 17.577 ( 0.196 -0.174 0.026) 0.263 18.819 ( 0.434 -0.786 -0.063) 0.900 ======================= Grid point 284 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 3.710 1.591 -2.746) 4.883 1.519 ( 2.468 -1.373 2.206) 3.584 2.397 ( -0.539 0.264 -0.427) 0.737 2.478 ( -3.822 0.546 0.476) 3.890 2.691 ( 0.230 -3.239 -2.634) 4.181 2.809 ( -8.914 1.766 3.507) 9.741 2.934 ( 0.046 0.529 -0.097) 0.540 3.068 ( -9.922 1.065 -0.363) 9.986 3.577 ( -7.638 0.230 -0.703) 7.674 3.752 ( 0.404 1.487 0.376) 1.587 4.000 ( 6.096 -2.981 -0.293) 6.793 4.417 ( 1.704 0.617 0.031) 1.812 8.457 ( -15.839 0.320 -0.260) 15.844 9.168 ( 12.600 -0.850 1.061) 12.674 9.472 ( -11.016 -0.241 0.235) 11.022 10.126 ( 14.243 0.586 -0.851) 14.281 17.586 ( 1.076 -0.061 -0.060) 1.079 18.838 ( 2.226 0.079 0.025) 2.227 ======================= Grid point 285 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -2.214 -0.121 -0.299) 2.237 1.610 ( 8.560 2.010 -1.801) 8.975 2.322 ( -5.924 -4.095 0.720) 7.238 2.429 ( -8.622 -8.142 -2.676) 12.157 2.502 ( -4.636 -6.928 -0.579) 8.357 2.749 ( -3.511 3.339 2.622) 5.509 2.882 ( -12.913 4.290 2.686) 13.870 2.985 ( 4.039 0.328 0.736) 4.119 3.473 ( -4.811 -0.273 -0.679) 4.866 3.749 ( 0.078 -2.406 1.646) 2.916 4.064 ( 2.131 2.376 -3.798) 4.960 4.446 ( -1.287 3.657 0.415) 3.899 8.196 ( -10.457 -7.089 0.112) 12.634 9.295 ( -7.002 -4.515 -0.007) 8.332 9.358 ( 5.878 6.025 1.090) 8.487 10.373 ( 12.010 4.458 -1.150) 12.862 17.611 ( 2.222 -0.220 -0.362) 2.262 18.892 ( 3.976 0.216 0.330) 3.995 ======================= Grid point 286 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -7.381 1.027 -5.007) 8.977 1.789 ( 9.657 0.974 0.575) 9.723 2.037 ( -17.889 -12.244 -5.466) 22.357 2.130 ( -7.649 -14.215 2.446) 16.327 2.390 ( -7.036 -1.266 -2.062) 7.440 2.728 ( -5.451 3.333 2.269) 6.780 2.838 ( 0.394 7.124 8.948) 11.444 3.067 ( 4.912 0.567 0.309) 4.954 3.398 ( -4.927 1.608 -0.771) 5.240 3.726 ( 0.047 -3.426 2.034) 3.984 4.092 ( -0.926 3.873 -5.556) 6.836 4.437 ( -4.757 4.840 -0.293) 6.793 7.994 ( -4.560 -8.531 0.335) 9.679 9.163 ( -2.930 -5.408 -0.180) 6.153 9.467 ( -1.461 7.882 1.750) 8.205 10.589 ( 9.089 4.248 -2.237) 10.279 17.654 ( 3.549 -0.726 -0.868) 3.725 18.972 ( 5.473 -0.452 0.953) 5.574 ======================= Grid point 293 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 0.000 1.269 -1.750) 2.162 1.495 ( 0.000 -8.589 -15.332) 17.573 1.843 ( -0.000 10.869 4.833) 11.895 1.853 ( -0.000 9.667 4.282) 10.573 2.254 ( 0.000 1.161 -3.191) 3.396 2.674 ( -0.000 4.543 2.256) 5.073 2.891 ( -0.000 -4.161 8.612) 9.564 3.135 ( -0.000 -4.312 0.256) 4.320 3.382 ( 0.000 4.620 -0.327) 4.632 3.650 ( -0.000 -0.387 0.466) 0.606 4.323 ( 0.000 8.470 -1.895) 8.680 4.408 ( 0.000 6.102 -2.928) 6.768 7.793 ( -0.000 -3.888 0.488) 3.919 9.046 ( 0.000 -3.179 -0.249) 3.189 9.724 ( -0.000 9.608 4.023) 10.416 10.621 ( 0.000 -1.729 -4.856) 5.155 17.663 ( 0.000 -3.105 -1.259) 3.350 19.034 ( -0.000 -7.382 1.532) 7.540 ======================= Grid point 294 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -0.565 -9.489 -9.431) 13.390 1.576 ( 16.806 0.735 -1.914) 16.930 1.864 ( -5.373 10.161 2.756) 11.819 2.113 ( 13.310 6.619 0.701) 14.882 2.311 ( 5.711 3.024 -1.377) 6.607 2.703 ( -0.003 -0.145 3.586) 3.589 2.843 ( -2.554 -2.526 4.897) 6.074 3.083 ( -1.222 -4.096 0.118) 4.276 3.418 ( 0.027 2.960 -0.035) 2.960 3.658 ( 1.234 -0.884 0.678) 1.663 4.356 ( -4.342 7.202 -3.938) 9.286 4.459 ( -1.109 6.571 -0.157) 6.666 7.823 ( 7.324 -2.478 0.413) 7.743 9.059 ( 4.813 -1.984 -0.231) 5.211 9.762 ( -5.824 6.165 2.539) 8.853 10.552 ( -5.038 -2.068 -2.897) 6.168 17.631 ( -0.520 -2.004 -0.822) 2.227 18.964 ( -1.270 -5.485 0.860) 5.695 ======================= Grid point 295 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.862 -7.273 -4.281) 8.484 1.792 ( -4.757 6.583 0.117) 8.123 1.969 ( 18.703 1.221 -0.524) 18.750 2.340 ( 9.768 -3.221 -1.610) 10.410 2.514 ( 10.659 8.615 1.932) 13.841 2.717 ( 3.288 -0.205 1.576) 3.652 2.813 ( -0.803 0.736 2.383) 2.620 3.026 ( -1.321 -2.725 0.138) 3.031 3.447 ( 1.055 1.757 0.276) 2.068 3.672 ( 1.712 -1.582 0.916) 2.505 4.302 ( -8.267 5.661 -3.988) 10.784 4.480 ( -2.672 3.613 0.908) 4.585 7.988 ( 13.696 -0.095 0.253) 13.698 9.167 ( 9.306 0.074 -0.148) 9.307 9.658 ( -11.821 1.980 1.137) 12.039 10.400 ( -9.726 -2.679 -1.273) 10.168 17.605 ( -0.684 -1.034 -0.433) 1.313 18.896 ( -1.797 -3.392 0.402) 3.859 ======================= Grid point 296 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 3.049 -3.234 0.372) 4.461 1.704 ( -8.795 3.016 -1.874) 9.485 2.296 ( 16.299 1.045 0.538) 16.341 2.390 ( 2.381 -4.084 1.509) 4.962 2.703 ( -0.103 5.062 -1.821) 5.380 2.826 ( 9.246 0.861 -2.361) 9.581 2.871 ( 5.110 1.065 3.295) 6.173 3.019 ( 3.008 0.505 0.759) 3.143 3.504 ( 4.316 1.623 0.555) 4.644 3.694 ( 2.948 -2.201 0.994) 3.811 4.172 ( -11.428 3.268 -2.848) 12.223 4.445 ( -3.707 0.333 0.729) 3.793 8.267 ( 17.936 2.242 0.138) 18.076 9.346 ( 5.356 1.022 -0.044) 5.452 9.437 ( -9.273 -0.726 -0.003) 9.301 10.178 ( -13.191 -2.944 -0.145) 13.517 17.586 ( -0.599 -0.348 -0.154) 0.709 18.844 ( -1.588 -1.482 0.142) 2.176 ======================= Grid point 297 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 4.410 0.686 2.151) 4.955 1.580 ( -6.601 0.197 -2.011) 6.904 2.385 ( 0.319 -0.803 0.856) 1.216 2.521 ( 9.732 0.034 0.124) 9.733 2.667 ( -5.007 0.652 -0.067) 5.050 2.868 ( -0.437 0.315 -0.290) 0.612 3.044 ( 8.014 -3.207 -2.912) 9.110 3.080 ( 2.364 2.619 2.539) 4.347 3.627 ( 7.355 1.084 1.019) 7.504 3.740 ( 5.108 -1.952 0.209) 5.472 3.980 ( -12.811 1.023 -1.145) 12.902 4.390 ( -2.113 -0.015 0.148) 2.118 8.605 ( 19.646 0.418 0.384) 19.654 9.078 ( -19.754 -1.026 -0.779) 19.796 9.626 ( 15.061 -0.685 -0.523) 15.086 9.923 ( -14.971 1.141 0.801) 15.035 17.577 ( -0.328 0.037 -0.012) 0.331 18.817 ( -0.761 -0.008 0.028) 0.762 ======================= Grid point 298 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 3.785 3.550 -0.248) 5.195 1.505 ( -1.461 -0.618 0.717) 1.741 2.391 ( 0.431 0.515 -0.242) 0.714 2.544 ( -4.362 -5.818 0.493) 7.288 2.641 ( 1.655 0.023 -0.912) 1.890 2.873 ( 0.098 0.696 0.733) 1.016 2.970 ( -4.840 -6.349 -0.001) 7.983 3.163 ( 0.489 0.404 0.018) 0.635 3.692 ( 0.747 -8.466 2.233) 8.787 3.734 ( -6.552 0.253 -1.538) 6.735 3.903 ( 4.906 5.649 -1.070) 7.558 4.405 ( 1.871 3.402 0.225) 3.889 8.633 ( -9.854 -18.213 0.451) 20.712 9.023 ( 8.237 16.642 -0.843) 18.588 9.598 ( -7.623 -12.309 -0.326) 14.482 9.970 ( 8.754 13.343 0.600) 15.970 17.576 ( 0.132 0.156 -0.012) 0.205 18.819 ( 0.483 0.851 0.027) 0.979 ======================= Grid point 299 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 1.593 3.975 -0.932) 4.383 1.520 ( 3.611 0.741 0.371) 3.704 2.368 ( -5.965 -7.793 1.208) 9.888 2.421 ( 0.224 -1.415 -0.185) 1.444 2.531 ( -8.490 -12.775 -2.766) 15.586 2.817 ( -2.672 -1.064 1.889) 3.442 2.945 ( 2.310 2.069 0.568) 3.152 3.085 ( -8.241 -2.200 1.209) 8.615 3.540 ( -5.326 -3.498 -0.346) 6.382 3.705 ( 0.986 -3.788 1.227) 4.101 4.050 ( 4.254 6.901 -2.917) 8.616 4.489 ( 1.844 5.672 0.542) 5.989 8.279 ( -11.518 -14.966 0.122) 18.885 9.322 ( 8.790 12.851 0.050) 15.569 9.354 ( -7.848 -9.814 -0.074) 12.566 10.252 ( 10.258 10.491 -0.150) 14.673 17.585 ( 0.814 0.037 -0.155) 0.829 18.849 ( 1.901 0.975 0.140) 2.141 ======================= Grid point 300 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -4.076 2.868 -5.131) 7.153 1.656 ( 8.384 2.405 2.282) 9.016 2.134 ( -8.524 -14.131 1.164) 16.544 2.164 ( -14.629 -15.240 -4.091) 21.518 2.434 ( -0.511 -1.509 1.504) 2.191 2.800 ( -0.960 0.964 1.374) 1.934 2.930 ( -5.523 -1.681 4.696) 7.442 3.015 ( 2.946 2.333 -0.554) 3.799 3.463 ( -2.516 -0.352 -0.391) 2.570 3.688 ( 0.648 -3.316 1.157) 3.571 4.144 ( 0.167 6.500 -3.781) 7.522 4.551 ( -1.807 6.173 0.185) 6.435 7.991 ( -6.946 -12.220 0.248) 14.059 9.161 ( -4.651 -7.973 -0.137) 9.231 9.541 ( 3.447 10.513 0.883) 11.098 10.495 ( 8.312 7.525 -1.018) 11.258 17.604 ( 1.696 -0.334 -0.435) 1.783 18.899 ( 3.269 0.315 0.399) 3.308 ======================= Grid point 308 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.000 -7.568 -6.481) 9.964 1.419 ( 0.000 0.490 0.003) 0.490 2.009 ( -0.000 4.736 1.332) 4.920 2.083 ( 0.000 11.108 -1.004) 11.153 2.261 ( 0.000 1.083 -1.559) 1.898 2.688 ( -0.000 -5.247 5.632) 7.698 2.845 ( -0.000 -1.869 2.128) 2.832 3.059 ( -0.000 -2.923 -0.035) 2.923 3.438 ( -0.000 1.375 0.227) 1.393 3.645 ( -0.000 -0.289 0.266) 0.393 4.447 ( 0.000 6.027 -4.821) 7.718 4.532 ( -0.000 5.444 1.556) 5.662 7.736 ( -0.000 -2.201 0.321) 2.224 8.996 ( 0.000 -1.753 -0.211) 1.765 9.870 ( -0.000 4.390 0.964) 4.495 10.577 ( 0.000 -1.070 -1.266) 1.658 17.617 ( 0.000 -1.257 -0.576) 1.383 18.930 ( -0.000 -3.880 0.568) 3.921 ======================= Grid point 309 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -0.226 -3.143 -0.811) 3.254 1.584 ( 17.527 0.382 0.774) 17.548 2.040 ( -8.645 6.404 -0.847) 10.792 2.142 ( 9.358 -0.793 -3.596) 10.057 2.401 ( 10.370 4.247 0.727) 11.230 2.653 ( 1.680 -5.353 4.892) 7.444 2.830 ( -0.732 -0.462 0.242) 0.899 3.029 ( -1.141 -1.360 0.120) 1.780 3.449 ( 0.236 0.558 0.456) 0.758 3.648 ( 0.546 -0.410 0.217) 0.716 4.446 ( -4.386 3.910 -4.608) 7.468 4.558 ( -2.181 2.515 2.330) 4.063 7.791 ( 8.383 -0.973 0.143) 8.440 9.032 ( 5.766 -0.659 -0.133) 5.805 9.841 ( -7.089 1.605 -0.508) 7.287 10.519 ( -5.862 -0.477 0.210) 5.885 17.605 ( -0.360 -0.487 -0.323) 0.686 18.894 ( -1.001 -1.958 0.328) 2.224 ======================= Grid point 310 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.965 1.668 3.490) 3.987 1.854 ( -2.507 0.154 -2.329) 3.425 1.988 ( 15.055 0.206 0.362) 15.060 2.299 ( 7.535 0.391 0.283) 7.550 2.600 ( 11.535 -1.566 -2.961) 12.011 2.712 ( 6.299 0.396 2.868) 6.932 2.818 ( 0.814 -0.868 0.444) 1.270 3.001 ( -0.977 -0.013 0.372) 1.045 3.465 ( 1.433 -0.018 0.771) 1.627 3.656 ( 0.943 -0.306 0.103) 0.996 4.355 ( -8.331 1.289 -3.252) 9.036 4.519 ( -4.108 -0.304 1.858) 4.520 7.987 ( 15.276 -0.101 0.047) 15.277 9.168 ( 10.620 0.052 -0.083) 10.620 9.669 ( -13.423 -0.623 -1.665) 13.540 10.379 ( -10.953 0.613 1.298) 11.047 17.595 ( -0.572 0.149 -0.103) 0.600 18.863 ( -1.541 -0.123 0.147) 1.553 ======================= Grid point 311 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 2.307 5.388 5.104) 7.772 1.694 ( -8.569 -2.668 -3.444) 9.613 2.299 ( 15.152 -0.992 0.987) 15.216 2.387 ( 2.552 2.875 1.120) 4.004 2.724 ( -0.185 -3.962 1.438) 4.218 2.788 ( 11.231 -1.026 -6.688) 13.111 2.873 ( 3.872 -2.105 2.511) 5.073 3.022 ( 3.570 -1.266 0.986) 3.914 3.510 ( 4.619 -1.632 1.312) 5.072 3.683 ( 2.440 1.214 -0.337) 2.746 4.184 ( -11.271 -1.021 -1.269) 11.388 4.445 ( -3.809 -0.660 0.734) 3.935 8.267 ( 18.146 -2.288 0.212) 18.291 9.346 ( 4.010 -0.863 -0.085) 4.103 9.416 ( -8.177 -0.803 -2.585) 8.613 10.195 ( -13.169 4.192 1.994) 13.963 17.588 ( -0.652 0.565 0.056) 0.864 18.843 ( -1.536 1.311 0.017) 2.020 ======================= Grid point 312 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 2.495 7.257 2.897) 8.203 1.545 ( -4.713 -2.757 -0.931) 5.539 2.392 ( 1.043 0.061 -0.114) 1.051 2.489 ( 3.288 -2.031 -0.760) 3.939 2.653 ( -2.774 -4.153 2.021) 5.388 2.854 ( 2.290 -4.091 -1.206) 4.841 2.938 ( 2.438 -2.725 -0.896) 3.765 3.066 ( 6.432 -4.544 -0.259) 7.879 3.560 ( 4.213 -5.776 1.309) 7.268 3.765 ( 3.407 1.857 -1.495) 4.158 3.990 ( -8.822 0.880 1.170) 8.943 4.417 ( 0.267 2.153 0.022) 2.169 8.451 ( 8.326 -13.041 0.525) 15.481 9.194 ( -8.151 10.391 -2.305) 13.406 9.479 ( 5.022 -10.048 -0.661) 11.253 10.104 ( -5.612 12.584 2.031) 13.927 17.584 ( -0.578 0.727 0.135) 0.938 18.838 ( -1.024 2.128 -0.058) 2.362 ======================= Grid point 313 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 1.731 2.389 -1.554) 3.334 1.510 ( 0.422 3.842 3.048) 4.922 2.370 ( -3.361 -8.506 0.697) 9.173 2.421 ( -2.263 -2.359 -0.174) 3.273 2.523 ( -5.907 -12.306 -0.804) 13.674 2.827 ( -0.314 -2.778 -0.520) 2.844 2.945 ( 0.842 2.954 0.572) 3.125 3.093 ( 1.662 -7.540 -0.825) 7.765 3.537 ( -0.056 -6.290 0.510) 6.311 3.714 ( -4.581 -1.058 -1.071) 4.821 4.034 ( 4.902 6.541 1.130) 8.252 4.491 ( 3.914 4.460 0.042) 5.934 8.279 ( -7.159 -17.380 0.055) 18.797 9.326 ( 6.077 14.014 -1.080) 15.313 9.354 ( -4.583 -11.532 -0.209) 12.412 10.248 ( 4.475 13.918 1.003) 14.654 17.584 ( -0.306 0.640 0.116) 0.719 18.849 ( -0.153 2.206 -0.068) 2.213 ======================= Grid point 314 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.860 1.490 -0.000) 1.720 1.583 ( 3.156 5.467 0.000) 6.313 2.139 ( -8.351 -14.465 -0.000) 16.703 2.210 ( -10.452 -18.103 0.000) 20.904 2.424 ( 0.187 0.324 -0.000) 0.375 2.811 ( -0.089 -0.154 -0.000) 0.178 2.981 ( -4.277 -7.408 -0.000) 8.554 3.002 ( 1.729 2.995 0.000) 3.459 3.481 ( -1.116 -1.934 -0.000) 2.233 3.665 ( -0.710 -1.230 -0.000) 1.420 4.172 ( 3.351 5.804 0.000) 6.702 4.598 ( 2.745 4.754 -0.000) 5.489 7.991 ( -7.870 -13.631 0.000) 15.739 9.162 ( -5.238 -9.072 -0.000) 10.476 9.563 ( 6.292 10.899 0.000) 12.585 10.459 ( 5.847 10.127 -0.000) 11.694 17.587 ( 0.188 0.325 0.000) 0.376 18.874 ( 0.880 1.524 -0.000) 1.760 ======================= Grid point 324 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -0.000 2.700 4.382) 5.147 1.429 ( -0.000 0.153 1.543) 1.550 2.037 ( 0.000 -0.973 -4.227) 4.338 2.203 ( 0.000 0.964 -5.365) 5.451 2.287 ( -0.000 0.946 3.020) 3.164 2.605 ( -0.000 -3.004 4.752) 5.622 2.831 ( 0.000 -0.381 -0.835) 0.918 3.033 ( -0.000 0.084 0.361) 0.371 3.451 ( -0.000 -0.029 0.575) 0.576 3.642 ( 0.000 -0.111 -0.052) 0.122 4.495 ( 0.000 1.196 -4.853) 4.998 4.597 ( -0.000 -0.166 3.437) 3.441 7.713 ( 0.000 -0.132 -0.052) 0.142 8.979 ( 0.000 0.075 -0.053) 0.092 9.904 ( 0.000 -0.588 -1.942) 2.029 10.573 ( -0.000 0.631 1.549) 1.673 17.606 ( 0.000 0.198 -0.153) 0.250 18.893 ( -0.000 -0.176 0.202) 0.268 ======================= Grid point 325 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -1.041 7.242 7.135) 10.220 1.600 ( 17.589 0.417 2.874) 17.828 2.003 ( -5.256 -6.341 -5.612) 9.967 2.161 ( 7.400 1.007 -2.041) 7.742 2.395 ( 8.012 -4.183 0.048) 9.038 2.635 ( 3.219 1.627 2.919) 4.640 2.818 ( -0.775 -0.605 -1.324) 1.650 3.031 ( -1.203 1.349 0.422) 1.856 3.451 ( 0.265 -0.617 0.715) 0.981 3.645 ( 0.462 0.102 -0.168) 0.502 4.448 ( -4.026 -1.558 -4.002) 5.887 4.569 ( -2.571 -2.846 3.326) 5.077 7.789 ( 8.411 0.748 -0.165) 8.446 9.033 ( 5.750 0.786 -0.008) 5.803 9.821 ( -7.058 -2.776 -2.983) 8.150 10.539 ( -5.919 1.758 2.542) 6.677 17.608 ( -0.381 0.886 0.051) 0.966 18.892 ( -0.976 1.581 0.029) 1.858 ======================= Grid point 326 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -0.243 9.958 7.351) 12.380 1.770 ( -6.085 -7.005 -3.504) 9.919 1.990 ( 19.988 -0.091 2.458) 20.138 2.350 ( 9.760 3.216 -0.481) 10.288 2.470 ( 9.867 -7.965 -3.515) 13.159 2.723 ( 5.369 -2.104 2.297) 6.208 2.785 ( -1.152 -2.370 -1.234) 2.910 3.025 ( -1.595 2.273 -0.079) 2.778 3.453 ( 1.188 -1.811 0.961) 2.370 3.663 ( 1.447 1.098 -0.242) 1.833 4.316 ( -7.626 -3.647 -2.098) 8.710 4.488 ( -3.341 -3.727 2.014) 5.396 7.986 ( 13.831 -0.023 -0.094) 13.831 9.168 ( 9.246 -0.012 -0.043) 9.246 9.620 ( -11.771 -3.119 -3.560) 12.687 10.436 ( -9.909 3.972 3.090) 11.113 17.610 ( -0.766 1.432 0.252) 1.644 18.891 ( -1.699 2.967 -0.169) 3.423 ======================= Grid point 327 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 0.009 10.362 3.933) 11.083 1.586 ( -5.350 -6.361 -0.420) 8.322 2.278 ( 11.225 -1.845 1.527) 11.478 2.478 ( 1.834 4.030 -1.084) 4.558 2.559 ( 8.317 -10.352 -0.497) 13.288 2.734 ( 1.582 -4.972 -2.148) 5.642 2.785 ( 8.302 -7.106 1.284) 11.003 3.017 ( -1.787 1.918 -1.584) 3.062 3.461 ( 2.643 -3.817 1.139) 4.780 3.721 ( 3.455 2.264 -0.289) 4.140 4.133 ( -8.918 -3.355 0.279) 9.532 4.424 ( -0.687 -1.877 0.609) 2.089 8.191 ( 11.487 -5.213 0.125) 12.615 9.298 ( 7.034 -3.803 -0.033) 7.996 9.404 ( -9.590 1.009 -3.637) 10.306 10.337 ( -8.626 8.519 3.068) 12.506 17.611 ( -1.091 1.710 0.402) 2.068 18.892 ( -2.006 3.726 -0.333) 4.245 ======================= Grid point 328 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -0.491 -4.050 -0.519) 4.112 1.587 ( -0.689 9.631 4.041) 10.467 2.322 ( -0.121 -7.661 0.753) 7.698 2.418 ( -3.854 -13.233 0.063) 13.783 2.499 ( -2.983 -5.556 0.130) 6.307 2.765 ( 4.800 -1.830 -1.665) 5.400 2.895 ( 9.993 -5.770 -0.693) 11.560 2.998 ( -1.841 2.353 -2.651) 3.994 3.467 ( 2.319 -4.272 0.799) 4.927 3.762 ( -1.653 -0.887 -1.886) 2.661 4.036 ( 0.109 2.162 3.666) 4.257 4.448 ( 4.050 0.626 -0.019) 4.098 8.197 ( -0.827 -12.472 -0.032) 12.500 9.295 ( -0.484 -8.400 -0.058) 8.415 9.371 ( 1.679 8.136 -2.379) 8.642 10.360 ( -1.613 12.433 2.222) 12.733 17.608 ( -1.249 1.657 0.466) 2.126 18.895 ( -1.861 3.731 -0.412) 4.189 ======================= Grid point 339 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -0.000 11.992 11.346) 16.508 1.440 ( -0.000 -0.114 2.832) 2.835 1.947 ( 0.000 -5.366 -6.211) 8.208 2.050 ( 0.000 -11.945 -6.387) 13.545 2.310 ( -0.000 -0.649 4.083) 4.134 2.646 ( -0.000 3.525 0.898) 3.638 2.816 ( 0.000 -0.592 -1.881) 1.972 3.062 ( -0.000 2.645 0.370) 2.671 3.442 ( -0.000 -1.421 0.665) 1.569 3.641 ( 0.000 0.130 -0.259) 0.290 4.442 ( 0.000 -4.265 -4.044) 5.877 4.561 ( -0.000 -5.208 3.939) 6.530 7.731 ( 0.000 2.038 -0.265) 2.055 8.998 ( 0.000 1.846 0.022) 1.846 9.831 ( 0.000 -5.522 -3.923) 6.773 10.616 ( -0.000 2.508 3.538) 4.337 17.624 ( -0.000 1.763 0.290) 1.787 18.924 ( 0.000 3.305 -0.230) 3.313 ======================= Grid point 340 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 0.205 8.817 6.364) 10.876 1.650 ( 13.489 3.967 8.044) 16.199 1.805 ( -3.443 -10.768 -5.404) 12.531 2.059 ( 14.299 -8.578 -6.099) 17.755 2.345 ( 3.888 -1.757 2.488) 4.940 2.674 ( 0.455 -0.074 0.571) 0.734 2.791 ( -1.750 -1.114 -2.142) 2.982 3.081 ( -1.405 3.614 -0.083) 3.878 3.424 ( 0.114 -2.922 0.711) 3.010 3.651 ( 1.033 0.654 -0.236) 1.245 4.355 ( -3.316 -5.826 -3.099) 7.385 4.493 ( -2.196 -6.171 3.300) 7.335 7.818 ( 7.390 2.428 -0.199) 7.782 9.060 ( 4.780 2.014 -0.024) 5.187 9.706 ( -5.713 -7.240 -4.375) 10.208 10.609 ( -5.256 3.690 4.157) 7.650 17.642 ( -0.589 2.590 0.557) 2.714 18.952 ( -1.166 4.689 -0.581) 4.866 ======================= Grid point 341 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -2.840 -4.178 -5.465) 7.442 1.631 ( -1.929 4.340 9.242) 10.391 2.017 ( 18.801 1.336 4.791) 19.448 2.216 ( 14.897 -12.461 -4.849) 20.017 2.432 ( 8.332 0.117 0.334) 8.340 2.649 ( -1.201 -5.385 0.283) 5.525 2.716 ( -2.920 -3.972 -1.966) 5.308 3.084 ( -2.473 3.958 -1.004) 4.774 3.395 ( 0.890 -4.890 0.917) 5.055 3.692 ( 2.533 1.708 -0.016) 3.055 4.215 ( -5.911 -5.329 -1.289) 8.062 4.409 ( -1.389 -5.012 1.860) 5.524 7.987 ( 9.826 0.279 -0.021) 9.829 9.169 ( 5.966 0.165 -0.106) 5.969 9.513 ( -7.105 -6.046 -4.247) 10.250 10.553 ( -7.468 6.077 4.236) 10.518 17.655 ( -1.323 3.118 0.778) 3.476 18.971 ( -2.225 5.422 -0.895) 5.929 ======================= Grid point 342 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -0.764 -8.916 -1.402) 9.058 1.726 ( -1.677 11.190 6.201) 12.903 2.211 ( 3.689 -14.142 1.051) 14.654 2.268 ( 7.556 -7.009 0.155) 10.307 2.485 ( -2.761 -15.564 2.980) 16.086 2.631 ( 8.900 4.137 -2.968) 10.253 2.693 ( 6.175 -1.964 -5.301) 8.372 3.073 ( -3.056 4.275 -1.590) 5.490 3.378 ( 3.036 -5.363 1.086) 6.257 3.750 ( 1.899 0.682 -0.707) 2.138 4.083 ( -4.130 -1.981 1.917) 4.965 4.380 ( 2.384 -2.876 0.773) 3.815 8.087 ( 3.333 -5.246 -0.028) 6.216 9.224 ( 1.784 -3.542 -0.103) 3.967 9.394 ( -0.533 -0.823 -3.282) 3.425 10.529 ( -4.735 9.321 3.557) 11.043 17.660 ( -2.011 3.162 0.888) 3.851 18.977 ( -2.913 5.350 -1.029) 6.178 ======================= Grid point 354 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -0.000 -0.921 3.674) 3.787 1.714 ( -0.000 4.222 11.733) 12.469 1.746 ( 0.000 -5.217 -6.570) 8.390 1.778 ( 0.000 -9.046 -5.555) 10.616 2.299 ( -0.000 -2.108 2.568) 3.322 2.656 ( -0.000 -4.231 0.333) 4.244 2.803 ( 0.000 0.364 -2.870) 2.893 3.132 ( 0.000 4.181 -0.118) 4.183 3.389 ( -0.000 -4.677 0.519) 4.706 3.644 ( 0.000 0.350 -0.215) 0.411 4.310 ( 0.000 -6.959 -2.731) 7.475 4.459 ( -0.000 -6.307 2.847) 6.920 7.788 ( 0.000 3.944 -0.098) 3.945 9.047 ( 0.000 3.149 -0.104) 3.151 9.654 ( 0.000 -10.616 -4.778) 11.642 10.700 ( -0.000 3.826 5.027) 6.318 17.680 ( -0.000 3.830 0.904) 3.936 19.013 ( 0.000 6.133 -1.183) 6.246 ======================= Grid point 355 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -1.714 -11.665 -6.079) 13.265 1.595 ( 10.325 -4.566 3.893) 11.942 1.817 ( 14.027 -10.306 -2.455) 17.578 1.919 ( 2.988 12.052 8.416) 15.000 2.314 ( 3.770 -2.583 0.774) 4.635 2.594 ( 0.107 -8.474 0.004) 8.475 2.752 ( -4.182 -2.961 -2.395) 5.656 3.155 ( -1.585 3.501 -0.112) 3.844 3.337 ( -0.044 -6.021 0.102) 6.022 3.666 ( 2.007 0.841 0.006) 2.176 4.222 ( -2.191 -5.970 -1.678) 6.577 4.393 ( -1.776 -4.628 1.540) 5.191 7.878 ( 5.483 3.740 0.094) 6.638 9.107 ( 3.159 2.774 -0.209) 4.209 9.500 ( -3.123 -11.879 -4.622) 13.123 10.715 ( -4.174 4.708 5.427) 8.309 17.716 ( -1.044 4.787 1.188) 5.041 19.060 ( -1.544 6.929 -1.771) 7.317 ======================= Grid point 356 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -0.409 -13.143 -3.343) 13.567 1.782 ( 10.033 -1.895 5.415) 11.558 1.935 ( 9.967 -11.812 -2.430) 15.645 2.109 ( 7.176 5.413 6.714) 11.219 2.344 ( 2.115 -8.137 0.072) 8.408 2.519 ( 3.327 -9.484 -0.952) 10.095 2.640 ( -1.287 -1.681 -4.676) 5.133 3.154 ( -1.776 2.603 0.313) 3.167 3.285 ( 0.883 -5.353 -0.679) 5.468 3.717 ( 2.655 0.572 0.068) 2.717 4.126 ( -3.299 -3.122 0.062) 4.542 4.337 ( -0.645 -2.652 0.796) 2.843 7.998 ( 4.540 0.773 0.133) 4.607 9.174 ( 2.193 0.413 -0.254) 2.246 9.345 ( -0.365 -9.342 -3.757) 10.076 10.700 ( -4.955 6.575 5.016) 9.641 17.739 ( -2.351 5.079 1.314) 5.749 19.083 ( -3.037 6.832 -2.030) 7.747 ======================= Grid point 369 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.000 -18.356 -7.209) 19.721 1.417 ( -0.000 -5.451 0.822) 5.512 1.566 ( 0.000 -9.459 -0.754) 9.489 2.069 ( -0.000 13.485 10.328) 16.986 2.261 ( -0.000 -2.354 0.248) 2.367 2.489 ( -0.000 -13.038 -0.187) 13.040 2.738 ( 0.000 -7.570 -1.426) 7.703 3.181 ( -0.000 -3.020 3.443) 4.580 3.294 ( 0.000 -0.981 -3.324) 3.465 3.652 ( 0.000 0.466 0.000) 0.466 4.182 ( 0.000 -4.721 -0.358) 4.734 4.379 ( 0.000 -1.942 -0.836) 2.114 7.878 ( -0.000 5.158 0.350) 5.170 9.113 ( 0.000 3.750 -0.369) 3.768 9.378 ( 0.000 -15.656 -4.456) 16.278 10.807 ( -0.000 4.240 6.338) 7.626 17.783 ( -0.000 6.283 1.504) 6.461 19.140 ( 0.000 7.871 -2.766) 8.342 ======================= Grid point 370 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -0.409 -16.713 -5.205) 17.509 1.459 ( 13.176 -13.571 -2.344) 19.060 1.635 ( 14.144 -5.474 3.722) 15.617 2.182 ( -1.058 5.290 5.331) 7.585 2.272 ( 2.573 -0.740 0.820) 2.800 2.354 ( 0.910 -14.111 -0.487) 14.149 2.606 ( -2.538 -12.082 -0.560) 12.358 3.137 ( 0.632 -7.016 5.478) 8.924 3.290 ( -1.770 4.072 -5.680) 7.209 3.678 ( 2.250 0.248 0.236) 2.276 4.136 ( -1.394 -2.359 0.963) 2.904 4.351 ( -1.891 0.503 -2.278) 3.003 7.959 ( 3.043 4.355 0.454) 5.333 9.158 ( 1.026 1.725 -0.730) 2.135 9.211 ( 0.826 -14.867 -3.381) 15.269 10.836 ( -3.028 4.708 6.426) 8.523 17.838 ( -1.808 7.019 1.612) 7.425 19.192 ( -2.049 7.870 -3.354) 8.797 ======================= Grid point 384 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.000 -18.742 -5.453) 19.520 1.183 ( 0.000 -15.704 -4.090) 16.228 1.469 ( -0.000 -4.117 5.324) 6.731 2.090 ( -0.000 -23.486 0.524) 23.492 2.220 ( 0.000 -1.412 -1.479) 2.045 2.341 ( 0.000 4.224 -4.251) 5.993 2.487 ( -0.000 -18.090 11.080) 21.214 3.083 ( -0.000 -5.099 6.768) 8.474 3.339 ( 0.000 5.285 -6.606) 8.460 3.661 ( -0.000 0.450 0.200) 0.492 4.138 ( -0.000 -0.659 2.390) 2.479 4.378 ( 0.000 2.989 -5.357) 6.135 7.983 ( -0.000 5.325 0.745) 5.377 9.018 ( 0.000 -19.443 -2.952) 19.666 9.182 ( 0.000 3.606 -0.579) 3.652 10.919 ( -0.000 3.859 7.238) 8.202 17.933 ( -0.000 8.272 1.646) 8.434 19.278 ( 0.000 8.075 -4.476) 9.232 ======================= Grid point 431 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.245 ( -0.000 0.000 16.491) 16.491 0.245 ( -0.000 0.000 16.491) 16.491 0.317 ( -0.000 0.000 34.185) 34.185 1.283 ( 0.000 -0.000 -6.117) 6.117 1.283 ( 0.000 -0.000 -6.117) 6.117 2.210 ( -0.000 0.000 1.547) 1.547 2.210 ( -0.000 0.000 1.547) 1.547 3.041 ( 0.000 -0.000 -21.286) 21.286 3.678 ( -0.000 0.000 0.108) 0.108 3.678 ( -0.000 0.000 0.108) 0.108 3.939 ( -0.000 0.000 18.014) 18.014 5.471 ( 0.000 -0.000 -7.082) 7.082 8.167 ( 0.000 -0.000 -0.546) 0.546 8.167 ( 0.000 -0.000 -0.546) 0.546 9.303 ( -0.000 0.000 0.398) 0.398 9.303 ( -0.000 0.000 0.398) 0.398 18.295 ( 0.000 -0.000 -0.127) 0.127 20.538 ( 0.000 -0.000 -0.471) 0.471 ======================= Grid point 432 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 7.148 4.127 23.899) 25.284 0.489 ( 14.634 8.449 8.016) 18.702 0.886 ( 31.287 18.064 11.094) 37.792 1.318 ( 3.773 2.179 -5.477) 6.998 1.467 ( 16.348 9.439 -7.953) 20.484 2.199 ( -0.888 -0.513 1.156) 1.546 2.394 ( 10.406 6.008 -1.097) 12.065 2.954 ( -1.800 -1.039 -19.921) 20.029 3.647 ( -3.149 -1.818 5.592) 6.670 3.679 ( -0.017 -0.010 0.227) 0.228 4.021 ( 1.677 0.968 2.402) 3.086 4.886 ( -21.933 -12.663 20.203) 32.397 8.149 ( -1.759 -1.016 -0.324) 2.057 8.333 ( 12.372 7.143 2.665) 14.533 9.284 ( -1.565 -0.903 0.252) 1.824 10.313 ( 37.202 21.479 -51.127) 66.778 18.215 ( -5.923 -3.420 -1.270) 6.956 19.963 ( -25.460 -14.699 28.772) 41.136 ======================= Grid point 433 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 8.400 4.850 15.647) 18.409 0.831 ( 14.298 8.255 3.297) 16.836 1.419 ( 6.136 3.543 -3.391) 7.855 1.591 ( 29.116 16.810 7.041) 34.349 1.825 ( 15.205 8.779 -10.306) 20.359 2.180 ( -0.839 -0.485 0.433) 1.062 2.655 ( 13.136 7.584 6.258) 16.409 2.893 ( 1.041 0.601 -16.695) 16.738 3.560 ( -5.842 -3.373 6.224) 9.178 3.678 ( -0.145 -0.084 0.341) 0.379 4.026 ( -0.471 -0.272 -3.702) 3.742 4.580 ( -11.790 -6.807 10.814) 17.387 8.090 ( -3.455 -1.995 -0.102) 3.991 8.685 ( 17.263 9.967 5.598) 20.704 9.237 ( -2.648 -1.529 0.116) 3.060 10.673 ( 10.060 5.808 -28.620) 30.887 18.057 ( -7.359 -4.249 -3.039) 9.025 19.616 ( -13.745 -7.936 16.638) 22.994 ======================= Grid point 434 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 8.505 4.910 6.866) 11.983 1.124 ( 11.493 6.635 0.353) 13.275 1.559 ( 6.476 3.739 -0.162) 7.480 2.012 ( 5.013 2.894 -11.963) 13.290 2.172 ( 0.386 0.223 -0.734) 0.859 2.185 ( 21.210 12.245 5.849) 25.180 2.931 ( 7.316 4.224 -5.595) 10.133 3.006 ( 13.313 7.687 6.078) 16.531 3.430 ( -6.714 -3.876 5.031) 9.242 3.674 ( -0.300 -0.173 0.415) 0.540 4.003 ( -0.178 -0.103 -5.851) 5.855 4.382 ( -7.260 -4.192 3.605) 9.126 8.001 ( -4.477 -2.585 0.102) 5.171 9.079 ( 16.064 9.275 6.484) 19.650 9.170 ( -3.228 -1.864 0.004) 3.728 10.743 ( 2.377 1.373 -15.815) 16.051 17.890 ( -6.782 -3.916 -3.119) 8.430 19.381 ( -10.513 -6.070 8.443) 14.787 ======================= Grid point 435 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 8.402 4.851 -1.274) 9.786 1.339 ( 8.059 4.653 -2.015) 9.521 1.688 ( 4.409 2.545 3.500) 6.178 2.016 ( -1.035 -0.598 -8.223) 8.310 2.203 ( 2.795 1.614 -2.213) 3.913 2.558 ( 11.550 6.669 2.815) 13.631 3.109 ( 8.114 4.685 -1.362) 9.468 3.195 ( -1.771 -1.022 8.539) 8.780 3.344 ( 0.330 0.191 3.539) 3.560 3.667 ( -0.460 -0.265 0.425) 0.680 4.004 ( 2.059 1.189 -5.522) 6.012 4.321 ( 2.383 1.376 -1.126) 2.973 7.899 ( -4.598 -2.655 0.262) 5.316 9.098 ( -3.191 -1.842 -0.071) 3.685 9.408 ( 12.038 6.950 5.737) 15.038 10.730 ( -0.482 -0.278 -8.919) 8.936 17.751 ( -5.039 -2.909 -2.248) 6.238 19.188 ( -8.243 -4.759 3.920) 10.294 ======================= Grid point 436 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 8.500 4.907 -7.751) 12.506 1.474 ( 4.812 2.778 -4.008) 6.852 1.768 ( 1.854 1.070 6.315) 6.668 1.964 ( -2.028 -1.171 -1.540) 2.802 2.279 ( 4.283 2.473 -3.043) 5.807 2.740 ( 5.089 2.938 0.398) 5.889 3.095 ( -6.135 -3.542 5.598) 9.029 3.166 ( -3.830 -2.211 1.660) 4.724 3.395 ( 3.156 1.822 0.111) 3.646 3.656 ( -0.547 -0.316 0.368) 0.731 4.089 ( 6.180 3.568 -1.879) 7.379 4.456 ( 8.429 4.866 -1.972) 9.931 7.805 ( -3.791 -2.189 0.330) 4.390 9.033 ( -2.522 -1.456 -0.085) 2.914 9.638 ( 7.552 4.360 4.493) 9.810 10.690 ( -1.279 -0.738 -5.094) 5.304 17.657 ( -3.053 -1.762 -1.167) 3.713 19.038 ( -5.769 -3.331 1.487) 6.826 ======================= Grid point 437 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 8.403 4.851 -12.107) 15.515 1.538 ( 2.228 1.287 -5.551) 6.118 1.809 ( 0.321 0.185 7.838) 7.846 1.927 ( -1.964 -1.134 5.979) 6.394 2.359 ( 3.261 1.883 -2.983) 4.804 2.803 ( 0.986 0.569 -0.454) 1.226 2.950 ( -7.924 -4.575 2.002) 9.366 3.076 ( -2.144 -1.238 -1.311) 2.801 3.448 ( 1.331 0.769 0.395) 1.587 3.645 ( -0.458 -0.265 0.253) 0.587 4.231 ( 5.711 3.298 1.806) 6.838 4.620 ( 5.819 3.359 -1.696) 6.929 7.738 ( -2.225 -1.285 0.266) 2.583 8.990 ( -1.339 -0.773 -0.023) 1.546 9.768 ( 3.330 1.923 3.464) 5.175 10.657 ( -0.703 -0.406 -3.082) 3.187 17.607 ( -1.274 -0.736 -0.275) 1.497 18.942 ( -3.056 -1.764 0.228) 3.536 ======================= Grid point 438 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 8.110 4.682 -14.105) 16.930 1.553 ( 0.608 0.351 -6.197) 6.236 1.820 ( -1.166 -0.673 8.123) 8.234 1.890 ( -4.026 -2.324 12.581) 13.412 2.398 ( 0.757 0.437 -2.525) 2.672 2.804 ( -2.934 -1.694 -4.002) 5.243 2.806 ( -1.235 -0.713 -0.672) 1.576 3.058 ( 0.246 0.142 -0.991) 1.031 3.462 ( 0.005 0.003 0.401) 0.401 3.639 ( -0.175 -0.101 0.092) 0.222 4.323 ( 1.617 0.934 4.477) 4.851 4.684 ( 0.226 0.131 -1.695) 1.715 7.711 ( -0.207 -0.119 0.091) 0.256 8.976 ( 0.118 0.068 0.097) 0.167 9.804 ( -0.722 -0.417 2.804) 2.925 10.650 ( 0.786 0.454 -2.099) 2.287 17.597 ( 0.306 0.177 0.277) 0.449 18.905 ( -0.270 -0.156 -0.356) 0.473 ======================= Grid point 439 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -0.317 -0.183 -5.734) 5.746 1.675 ( 7.278 4.202 -10.587) 13.517 1.790 ( -3.399 -1.962 7.048) 8.067 1.794 ( -6.661 -3.845 12.914) 15.030 2.381 ( -1.711 -0.988 -1.730) 2.626 2.756 ( -0.430 -0.248 -6.523) 6.542 2.800 ( 0.314 0.181 -1.380) 1.427 3.077 ( 1.780 1.028 -0.868) 2.231 3.451 ( -1.286 -0.743 0.210) 1.500 3.638 ( 0.157 0.091 -0.081) 0.199 4.322 ( -2.710 -1.565 5.902) 6.680 4.625 ( -4.932 -2.848 -1.542) 5.900 7.729 ( 1.874 1.082 -0.135) 2.168 8.995 ( 1.539 0.889 0.241) 1.794 9.749 ( -4.870 -2.811 2.435) 6.127 10.683 ( 2.577 1.488 -1.680) 3.417 17.622 ( 1.921 1.109 0.444) 2.262 18.927 ( 2.357 1.361 -0.479) 2.763 ======================= Grid point 440 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -1.825 -1.054 -3.856) 4.394 1.575 ( -12.074 -6.971 13.172) 19.180 1.701 ( -5.835 -3.369 4.227) 7.954 1.895 ( 10.885 6.285 -8.802) 15.345 2.323 ( -2.961 -1.709 -0.562) 3.465 2.685 ( -5.416 -3.127 -2.928) 6.906 2.818 ( 0.981 0.566 -5.458) 5.575 3.134 ( 3.409 1.968 -0.517) 3.970 3.394 ( -4.182 -2.414 -0.053) 4.829 3.644 ( 0.368 0.213 -0.208) 0.473 4.249 ( -4.533 -2.617 5.390) 7.514 4.483 ( -6.707 -3.873 -0.541) 7.764 7.790 ( 3.586 2.071 -0.366) 4.157 9.043 ( 2.635 1.521 0.380) 3.067 9.599 ( -9.219 -5.323 2.317) 10.894 10.753 ( 3.963 2.288 -1.796) 4.916 17.686 ( 3.759 2.170 0.197) 4.345 19.004 ( 4.567 2.637 -0.112) 5.275 ======================= Grid point 441 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -14.848 -8.573 9.475) 19.589 1.414 ( -7.286 -4.207 1.439) 8.536 1.571 ( -5.217 -3.012 -2.107) 6.382 2.127 ( 10.620 6.132 -4.825) 13.178 2.259 ( -2.549 -1.472 0.685) 3.022 2.490 ( -11.982 -6.918 -0.612) 13.850 2.758 ( -6.167 -3.561 -6.848) 9.879 3.206 ( 0.926 0.535 -3.146) 3.323 3.270 ( -4.496 -2.596 3.031) 6.011 3.653 ( 0.426 0.246 -0.246) 0.550 4.173 ( -2.825 -1.631 2.300) 3.991 4.369 ( -2.861 -1.652 1.745) 3.736 7.881 ( 4.562 2.634 -0.581) 5.300 9.110 ( 3.198 1.846 0.499) 3.726 9.352 ( -13.529 -7.811 2.508) 15.822 10.842 ( 4.384 2.531 -3.060) 5.915 17.791 ( 5.711 3.298 -0.507) 6.614 19.125 ( 6.122 3.534 1.142) 7.160 ======================= Grid point 446 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -0.000 9.391 26.194) 27.827 0.550 ( -0.000 17.599 10.226) 20.355 0.907 ( -0.000 34.232 13.400) 36.761 1.259 ( 0.000 2.034 -7.888) 8.146 1.478 ( 0.000 20.700 -7.414) 21.988 2.224 ( -0.000 0.065 1.761) 1.763 2.326 ( 0.000 6.382 -0.817) 6.435 2.899 ( 0.000 -2.041 -21.098) 21.197 3.659 ( -0.000 -3.136 3.694) 4.846 3.675 ( -0.000 -0.250 0.101) 0.269 4.042 ( -0.000 1.325 4.999) 5.172 4.941 ( -0.000 -24.414 16.765) 29.616 8.136 ( 0.000 -2.589 -0.720) 2.687 8.339 ( -0.000 14.579 2.925) 14.869 9.293 ( -0.000 -1.414 0.526) 1.508 10.195 ( 0.000 44.171 -45.939) 63.729 18.212 ( 0.000 -7.112 -1.051) 7.189 20.032 ( -0.000 -29.238 24.836) 38.363 ======================= Grid point 447 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 3.135 9.989 22.205) 24.549 0.823 ( 7.126 18.858 6.546) 21.196 1.360 ( 8.948 7.355 -5.831) 12.968 1.421 ( 16.775 26.077 8.098) 32.047 1.720 ( 6.346 19.315 -9.639) 22.500 2.206 ( -1.857 0.396 1.201) 2.247 2.491 ( 11.672 3.648 3.023) 12.597 2.840 ( 0.590 0.562 -18.780) 18.798 3.604 ( -2.936 -5.013 4.107) 7.115 3.679 ( 0.493 0.020 0.342) 0.601 4.041 ( -1.499 0.155 -0.240) 1.526 4.699 ( -8.925 -12.895 11.997) 19.745 8.104 ( -0.686 -3.091 -0.507) 3.206 8.591 ( 9.541 16.548 5.553) 19.892 9.263 ( -1.703 -1.635 0.359) 2.388 10.515 ( 9.474 16.530 -33.353) 38.411 18.095 ( -4.320 -7.374 -2.420) 8.882 19.752 ( -9.883 -16.716 18.590) 26.883 ======================= Grid point 448 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 3.111 9.481 14.778) 17.832 1.131 ( 5.651 19.367 3.005) 20.397 1.559 ( 6.340 11.416 -3.981) 13.652 1.922 ( 5.424 8.494 -11.876) 15.576 1.991 ( 19.445 17.408 6.499) 26.896 2.182 ( -1.545 0.236 0.552) 1.658 2.773 ( 16.047 1.425 5.382) 16.986 2.871 ( 5.672 5.660 -11.513) 14.027 3.492 ( -5.060 -5.980 3.936) 8.766 3.693 ( 0.217 1.538 0.885) 1.787 4.008 ( -1.742 0.317 -3.659) 4.065 4.473 ( -8.561 -7.928 5.820) 13.039 8.049 ( -2.889 -1.991 -0.247) 3.518 8.949 ( 12.983 13.267 7.151) 19.893 9.212 ( -2.757 -1.082 0.202) 2.969 10.656 ( 4.642 4.040 -20.114) 21.034 17.937 ( -5.468 -6.196 -3.060) 8.812 19.495 ( -9.523 -10.907 10.603) 17.947 ======================= Grid point 449 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 3.121 8.346 6.338) 10.935 1.384 ( 1.963 18.981 0.003) 19.083 1.753 ( 1.444 15.251 0.169) 15.320 1.964 ( 1.464 -1.943 -11.709) 11.959 2.179 ( 1.124 0.985 -0.411) 1.550 2.431 ( 14.049 10.094 4.623) 17.907 2.992 ( 9.845 4.105 -2.550) 10.968 3.095 ( 12.736 -0.999 3.833) 13.338 3.356 ( -4.819 -5.412 3.055) 7.864 3.720 ( -1.018 3.940 2.221) 4.636 3.980 ( -0.444 0.527 -5.020) 5.068 4.321 ( -2.969 -2.644 0.601) 4.021 7.974 ( -4.780 0.042 -0.019) 4.781 9.150 ( -3.415 -0.001 0.217) 3.422 9.285 ( 11.913 7.918 6.644) 15.772 10.679 ( 1.849 -1.335 -11.662) 11.883 17.792 ( -4.760 -4.479 -2.530) 7.008 19.276 ( -8.137 -8.008 5.261) 12.571 ======================= Grid point 450 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 3.882 6.639 -1.472) 7.830 1.560 ( -1.928 18.265 -2.668) 18.559 1.882 ( -3.808 14.261 4.651) 15.476 1.919 ( 1.222 -5.609 -6.164) 8.423 2.246 ( 3.985 4.282 -2.154) 6.233 2.678 ( 6.976 4.855 1.113) 8.572 3.129 ( 3.985 -6.786 4.151) 8.897 3.153 ( -2.976 -3.215 1.833) 4.749 3.332 ( 5.443 0.656 -0.435) 5.499 3.718 ( -4.237 3.327 1.603) 5.620 4.008 ( 4.892 1.029 -2.295) 5.500 4.360 ( 6.543 3.282 -1.857) 7.552 7.896 ( -5.923 2.515 0.148) 6.437 9.094 ( -4.076 1.612 0.039) 4.383 9.531 ( 9.732 2.511 5.447) 11.432 10.650 ( 0.983 -4.161 -6.706) 7.953 17.685 ( -3.277 -2.788 -1.499) 4.556 19.099 ( -6.176 -5.785 2.196) 8.742 ======================= Grid point 451 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 5.285 4.396 -7.459) 10.144 1.660 ( -5.126 16.809 -4.869) 18.235 1.880 ( 1.359 -5.533 2.876) 6.382 1.946 ( -4.347 11.494 4.793) 13.190 2.354 ( 2.397 6.481 -1.724) 7.122 2.785 ( 2.345 1.766 -0.527) 2.983 3.025 ( -5.445 -6.655 1.999) 8.828 3.081 ( -1.856 -3.998 -0.674) 4.459 3.426 ( 2.957 1.649 0.101) 3.387 3.677 ( -3.057 1.437 0.283) 3.390 4.137 ( 8.212 1.171 1.637) 8.455 4.523 ( 8.200 2.729 -1.867) 8.841 7.831 ( -6.114 4.913 0.201) 7.846 9.050 ( -3.999 3.329 0.026) 5.203 9.685 ( 7.095 -1.973 4.240) 8.498 10.610 ( 1.559 -5.431 -4.032) 6.941 17.621 ( -1.709 -1.438 -0.528) 2.295 18.973 ( -3.777 -3.777 0.566) 5.372 ======================= Grid point 452 (160/288) ======================= q-point: ( 0.64 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 6.549 2.105 -10.928) 12.913 1.697 ( -6.137 13.956 -5.416) 16.179 1.861 ( -0.213 -3.831 7.464) 8.393 1.995 ( -4.338 10.668 6.398) 13.175 2.418 ( -1.000 4.385 -0.329) 4.509 2.803 ( -0.081 -0.229 -1.086) 1.113 2.873 ( -6.469 -1.670 -3.468) 7.528 3.042 ( 0.346 -1.628 -0.630) 1.780 3.463 ( 0.453 0.700 0.264) 0.874 3.651 ( -1.271 0.496 0.065) 1.366 4.271 ( 5.938 -0.791 4.282) 7.363 4.637 ( 4.311 -0.753 -1.937) 4.786 7.791 ( -5.303 6.763 0.128) 8.595 9.027 ( -3.324 4.693 0.087) 5.752 9.753 ( 4.214 -5.257 3.446) 7.568 10.586 ( 3.117 -5.375 -2.739) 6.791 17.596 ( -0.253 -0.447 0.120) 0.527 18.905 ( -1.122 -1.924 -0.212) 2.237 ======================= Grid point 453 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 6.847 1.086 -10.196) 12.329 1.714 ( -4.252 11.207 -5.326) 13.117 1.819 ( -3.796 -2.700 8.033) 9.286 2.018 ( -8.315 10.690 8.549) 16.016 2.410 ( -2.385 1.259 -0.749) 2.799 2.773 ( -3.252 1.601 -6.710) 7.627 2.799 ( -0.728 -0.241 -0.499) 0.915 3.046 ( 1.657 -0.849 -0.749) 2.007 3.464 ( -0.787 0.054 0.054) 0.791 3.644 ( -0.291 0.644 -0.114) 0.716 4.326 ( 1.349 -3.273 5.741) 6.745 4.636 ( -0.931 -4.043 -2.110) 4.654 7.786 ( -3.645 7.745 -0.011) 8.560 9.030 ( -2.152 5.342 0.177) 5.762 9.742 ( 0.716 -7.370 3.029) 8.000 10.601 ( 5.018 -4.263 -2.223) 6.949 17.604 ( 1.218 0.326 0.356) 1.310 18.898 ( 1.574 -0.281 -0.433) 1.656 ======================= Grid point 454 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 0.123 0.134 -0.804) 0.824 1.717 ( -5.452 -2.977 4.537) 7.692 1.787 ( 2.327 11.650 -8.923) 14.857 1.949 ( -14.146 9.731 8.068) 18.970 2.373 ( -3.303 1.059 -1.115) 3.643 2.721 ( -2.914 -0.939 -4.819) 5.709 2.785 ( 0.348 -1.447 -1.957) 2.458 3.082 ( 3.524 -0.093 -0.265) 3.535 3.432 ( -2.703 -1.265 -0.173) 2.989 3.652 ( 0.001 1.518 -0.367) 1.562 4.288 ( -2.435 -4.794 5.593) 7.758 4.532 ( -4.699 -5.501 -1.793) 7.454 7.818 ( -1.522 7.700 -0.164) 7.851 9.058 ( -0.690 5.120 0.263) 5.173 9.649 ( -3.662 -8.436 2.916) 9.648 10.659 ( 6.478 -2.623 -2.294) 7.356 17.645 ( 2.928 1.017 0.152) 3.104 18.949 ( 4.080 1.036 -0.148) 4.212 ======================= Grid point 455 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -9.421 -8.282 7.917) 14.834 1.622 ( -10.060 9.006 -3.235) 13.885 1.789 ( -16.008 7.776 3.948) 18.230 1.982 ( 10.809 7.354 -7.496) 15.071 2.315 ( -4.421 1.084 0.389) 4.569 2.600 ( -8.029 -4.566 -1.389) 9.341 2.754 ( -0.727 -5.294 -3.073) 6.164 3.155 ( 4.527 0.343 0.112) 4.541 3.337 ( -5.925 -3.278 -0.012) 6.771 3.668 ( -0.346 2.311 -0.473) 2.384 4.203 ( -3.090 -4.245 3.304) 6.203 4.400 ( -4.006 -4.099 -0.460) 5.750 7.880 ( 0.587 6.638 -0.318) 6.672 9.105 ( 0.766 4.120 0.346) 4.205 9.471 ( -8.837 -8.548 3.134) 12.688 10.748 ( 6.829 -1.116 -3.322) 7.676 17.723 ( 4.953 1.630 -0.514) 5.239 19.050 ( 6.188 1.890 0.876) 6.530 ======================= Grid point 461 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -0.000 13.170 21.355) 25.089 0.944 ( -0.000 18.182 7.511) 19.672 1.280 ( 0.000 3.994 -7.846) 8.804 1.608 ( -0.000 31.428 8.807) 32.639 1.873 ( 0.000 21.114 -13.138) 24.868 2.230 ( -0.000 -0.126 0.945) 0.953 2.441 ( -0.000 5.724 5.583) 7.996 2.807 ( 0.000 3.758 -16.759) 17.175 3.584 ( -0.000 -6.335 3.665) 7.319 3.670 ( -0.000 -0.338 0.233) 0.410 4.055 ( 0.000 -0.011 -0.936) 0.936 4.667 ( -0.000 -13.594 9.287) 16.463 8.066 ( 0.000 -4.237 -0.432) 4.259 8.716 ( -0.000 20.776 6.479) 21.763 9.254 ( -0.000 -2.855 0.350) 2.876 10.532 ( 0.000 15.518 -28.521) 32.469 18.045 ( 0.000 -8.706 -2.583) 9.081 19.700 ( -0.000 -18.199 15.332) 23.797 ======================= Grid point 462 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -0.338 12.926 16.413) 20.894 1.216 ( 8.096 17.985 5.631) 20.512 1.439 ( 13.686 5.997 -6.528) 16.306 1.953 ( 4.438 14.397 -5.340) 15.984 1.994 ( 1.998 19.090 -4.563) 19.729 2.225 ( -1.217 1.416 1.442) 2.359 2.596 ( 7.914 6.459 8.340) 13.187 2.846 ( 2.107 8.308 -11.663) 14.474 3.503 ( -2.758 -7.018 3.086) 8.147 3.685 ( 1.788 0.203 0.860) 1.994 4.039 ( -1.692 1.070 -2.802) 3.444 4.518 ( -5.234 -10.260 5.084) 12.590 8.034 ( 0.912 -3.938 -0.240) 4.050 8.973 ( 4.735 18.544 7.514) 20.561 9.223 ( -0.426 -2.639 0.195) 2.680 10.604 ( 1.765 7.036 -20.130) 21.397 17.932 ( -2.769 -7.734 -2.875) 8.704 19.523 ( -5.143 -14.522 10.143) 18.445 ======================= Grid point 463 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -1.100 11.387 9.773) 15.046 1.530 ( 6.223 18.458 2.300) 19.614 1.745 ( 13.785 8.864 -3.680) 16.797 1.946 ( -1.457 1.932 -16.154) 16.334 2.219 ( -2.453 4.129 2.610) 5.466 2.341 ( 10.363 14.080 5.588) 18.354 2.811 ( 10.576 -0.541 7.387) 12.911 2.974 ( 5.432 9.462 -6.992) 12.959 3.384 ( -4.145 -6.435 2.412) 8.025 3.736 ( 2.769 1.382 2.674) 4.090 4.013 ( -2.572 2.757 -4.263) 5.691 4.354 ( -4.938 -5.520 1.007) 7.474 8.016 ( -0.068 -1.278 -0.124) 1.286 9.188 ( -0.551 0.215 0.923) 1.096 9.239 ( 5.680 10.760 6.417) 13.756 10.617 ( 0.560 0.235 -12.714) 12.729 17.806 ( -3.458 -5.730 -2.517) 7.151 19.321 ( -6.312 -10.968 5.597) 13.837 ======================= Grid point 464 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -1.346 9.284 2.569) 9.727 1.755 ( 3.029 8.653 -2.782) 9.581 1.858 ( -2.787 6.581 -5.309) 8.903 2.082 ( 6.955 16.076 -3.803) 17.924 2.227 ( -2.171 5.308 3.039) 6.490 2.609 ( 8.236 6.499 2.589) 10.806 2.940 ( 8.606 -9.417 4.607) 13.563 3.132 ( 3.803 2.934 -2.234) 5.297 3.289 ( -0.423 -0.781 0.949) 1.299 3.796 ( 0.790 1.136 4.426) 4.637 3.978 ( -2.376 1.826 -4.648) 5.530 4.306 ( 2.218 1.522 -1.380) 3.023 8.005 ( -2.311 3.157 -0.027) 3.913 9.171 ( -2.028 1.984 0.140) 2.841 9.431 ( 6.159 3.861 5.871) 9.344 10.573 ( 0.073 -4.733 -7.590) 8.945 17.702 ( -2.875 -3.675 -1.651) 4.950 19.138 ( -5.653 -8.040 2.584) 10.162 ======================= Grid point 465 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -0.445 6.774 -3.849) 7.804 1.755 ( 2.913 -8.633 -1.652) 9.260 1.948 ( -5.993 21.674 -2.698) 22.648 2.216 ( -7.943 15.665 5.028) 18.269 2.350 ( 6.867 7.825 -1.366) 10.499 2.755 ( 3.930 2.643 -0.137) 4.738 2.953 ( 4.000 -9.482 0.114) 10.291 3.093 ( -3.048 -3.589 1.199) 4.859 3.384 ( 4.739 3.749 -0.197) 6.046 3.771 ( -5.282 1.588 0.875) 5.585 4.011 ( 6.423 -0.365 0.265) 6.438 4.413 ( 6.871 2.678 -1.579) 7.542 7.999 ( -4.942 8.036 0.024) 9.434 9.162 ( -3.342 5.358 0.104) 6.316 9.547 ( 6.185 -3.538 4.580) 8.470 10.503 ( 1.157 -8.226 -4.575) 9.483 17.633 ( -1.814 -2.050 -0.732) 2.833 18.996 ( -4.037 -5.548 0.860) 6.915 ======================= Grid point 466 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 1.450 4.279 -8.282) 9.434 1.730 ( 3.519 -8.529 4.653) 10.334 2.021 ( -7.865 19.471 -4.454) 21.467 2.243 ( -7.241 14.324 4.585) 16.692 2.481 ( 0.602 5.338 2.526) 5.936 2.798 ( 0.421 0.004 -1.636) 1.690 2.921 ( -0.748 -1.116 -4.055) 4.271 3.033 ( -1.415 -1.153 0.515) 1.896 3.462 ( 1.381 2.188 0.045) 2.588 3.701 ( -4.157 1.016 -0.344) 4.294 4.140 ( 8.703 -2.473 3.764) 9.799 4.532 ( 6.067 -0.981 -1.715) 6.380 7.994 ( -7.119 11.855 -0.017) 13.829 9.162 ( -4.579 8.166 0.146) 9.364 9.599 ( 6.228 -9.049 3.691) 11.589 10.443 ( 3.686 -9.916 -3.053) 11.011 17.597 ( -0.670 -0.941 -0.065) 1.157 18.904 ( -1.862 -3.396 -0.012) 3.872 ======================= Grid point 467 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 4.202 2.717 -10.366) 11.511 1.721 ( 2.594 -8.066 8.480) 11.988 2.044 ( -9.228 17.704 -4.709) 20.512 2.278 ( -5.525 13.290 2.840) 14.670 2.491 ( -4.641 2.655 5.159) 7.430 2.786 ( -0.421 -0.613 -2.086) 2.214 2.882 ( -4.650 4.113 -5.584) 8.350 3.016 ( -0.180 -0.182 -0.501) 0.562 3.483 ( -0.820 1.673 -0.288) 1.885 3.661 ( -1.318 0.662 -0.281) 1.501 4.241 ( 5.756 -4.830 5.391) 9.248 4.573 ( 2.527 -4.598 -2.140) 5.667 7.989 ( -7.971 13.355 -0.097) 15.553 9.165 ( -5.183 9.195 0.206) 10.557 9.603 ( 5.407 -11.775 3.212) 13.349 10.429 ( 6.746 -9.313 -2.415) 11.750 17.591 ( 0.517 -0.228 0.233) 0.612 18.870 ( 0.599 -1.584 -0.327) 1.725 ======================= Grid point 468 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 6.871 2.288 -7.576) 10.480 1.687 ( -0.087 -7.339 6.675) 9.921 2.043 ( -9.406 17.315 -4.404) 20.191 2.307 ( -10.240 13.976 5.416) 18.153 2.432 ( -3.628 1.128 1.332) 4.026 2.762 ( -1.353 -1.351 -1.726) 2.576 2.802 ( -6.785 1.668 -4.673) 8.406 3.024 ( 2.296 -1.142 0.089) 2.566 3.466 ( -2.376 0.322 -0.526) 2.454 3.666 ( 0.211 2.049 -0.585) 2.141 4.257 ( 1.324 -6.588 5.249) 8.526 4.523 ( -1.419 -5.864 -2.212) 6.426 7.986 ( -7.047 12.101 -0.132) 14.004 9.166 ( -4.590 7.972 0.220) 9.202 9.568 ( 2.778 -11.546 3.049) 12.261 10.478 ( 8.995 -6.708 -2.350) 11.464 17.611 ( 1.897 0.241 0.126) 1.916 18.892 ( 3.100 -0.193 -0.194) 3.112 ======================= Grid point 469 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -4.609 -5.691 6.071) 9.513 1.694 ( 6.993 2.387 -7.522) 10.545 2.053 ( -7.112 16.199 -4.537) 18.264 2.177 ( -18.056 7.987 5.604) 20.524 2.429 ( -4.042 6.062 0.912) 7.343 2.661 ( -5.513 -3.932 -3.040) 7.423 2.709 ( -2.189 -5.179 -0.278) 5.629 3.076 ( 4.656 -0.545 0.937) 4.781 3.401 ( -4.781 -1.573 -0.659) 5.076 3.694 ( 0.137 3.088 -0.696) 3.169 4.198 ( -1.316 -6.646 3.133) 7.464 4.422 ( -3.654 -4.207 -1.571) 5.789 7.988 ( -4.663 8.675 -0.131) 9.849 9.168 ( -2.853 5.248 0.208) 5.977 9.485 ( -1.896 -8.994 3.221) 9.740 10.580 ( 9.530 -3.481 -3.010) 10.583 17.660 ( 3.609 0.524 -0.398) 3.669 18.966 ( 5.421 0.648 0.478) 5.480 ======================= Grid point 476 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -0.000 14.212 13.457) 19.572 1.286 ( -0.000 9.781 2.577) 10.115 1.352 ( 0.000 10.776 -2.478) 11.057 1.965 ( 0.000 -0.161 -17.611) 17.612 2.184 ( -0.000 21.660 4.204) 22.064 2.230 ( 0.000 0.098 -0.650) 0.657 2.687 ( -0.000 13.858 12.192) 18.458 2.902 ( 0.000 11.652 -8.323) 14.319 3.463 ( -0.000 -7.564 2.826) 8.074 3.664 ( -0.000 -0.388 0.428) 0.578 4.063 ( 0.000 2.664 -3.111) 4.096 4.474 ( -0.000 -9.380 2.252) 9.647 7.975 ( -0.000 -5.012 0.098) 5.013 9.147 ( -0.000 19.342 7.478) 20.737 9.190 ( -0.000 -3.775 0.007) 3.775 10.614 ( 0.000 5.693 -16.328) 17.292 17.872 ( 0.000 -7.554 -2.718) 8.028 19.444 ( -0.000 -14.533 7.652) 16.425 ======================= Grid point 477 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -2.630 12.750 7.586) 15.068 1.466 ( 13.213 4.992 -1.738) 14.231 1.608 ( 12.074 14.091 1.390) 18.608 1.895 ( 0.800 -4.237 -15.192) 15.792 2.251 ( 2.204 1.787 -1.380) 3.155 2.400 ( 2.731 14.958 4.368) 15.820 2.813 ( -2.237 7.478 12.302) 14.569 3.015 ( 1.278 12.407 -5.564) 13.658 3.379 ( -2.176 -6.634 1.851) 7.223 3.691 ( 3.121 -0.345 1.523) 3.490 4.080 ( -1.629 5.321 -3.589) 6.621 4.370 ( -3.122 -5.510 -0.685) 6.370 7.956 ( 3.070 -4.062 0.230) 5.097 9.165 ( 1.282 -3.101 -0.073) 3.356 9.340 ( 0.228 15.205 6.702) 16.618 10.608 ( -1.358 1.815 -11.333) 11.557 17.785 ( -1.596 -6.003 -2.312) 6.628 19.300 ( -3.107 -12.228 4.738) 13.477 ======================= Grid point 478 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -3.741 9.766 0.328) 10.463 1.664 ( 4.362 -3.397 -3.506) 6.547 1.911 ( 16.772 3.116 -7.281) 18.548 1.988 ( 6.732 16.055 1.354) 17.462 2.334 ( 4.273 5.549 -1.146) 7.096 2.577 ( 3.660 8.252 3.556) 9.703 2.816 ( -2.257 -2.617 8.656) 9.320 3.125 ( 1.020 5.170 -2.053) 5.655 3.302 ( -1.383 -0.608 0.474) 1.584 3.750 ( 3.890 -1.580 3.302) 5.342 4.075 ( -4.873 5.393 -4.501) 8.549 4.304 ( -0.652 1.291 -1.594) 2.152 7.998 ( 4.511 -0.602 0.175) 4.554 9.176 ( 2.228 -0.623 -0.055) 2.314 9.462 ( -1.083 8.206 5.331) 9.846 10.544 ( -3.095 -2.581 -7.063) 8.132 17.701 ( -1.944 -4.051 -1.605) 4.772 19.142 ( -4.095 -9.356 2.442) 10.501 ======================= Grid point 479 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -3.302 5.781 -5.989) 8.955 1.635 ( 1.167 -6.353 0.390) 6.471 2.193 ( 3.167 10.437 -0.429) 10.915 2.241 ( 10.546 12.472 -1.711) 16.423 2.485 ( -0.633 15.076 1.575) 15.171 2.675 ( 4.554 -3.954 1.062) 6.123 2.797 ( 4.053 -2.869 3.064) 5.835 3.102 ( -2.127 -3.749 0.413) 4.330 3.360 ( 3.157 5.597 -0.165) 6.427 3.800 ( 3.183 -2.415 3.842) 5.543 4.007 ( -5.734 3.671 -4.561) 8.195 4.357 ( 2.960 3.814 -0.981) 4.927 8.088 ( 3.295 5.191 0.045) 6.149 9.225 ( 1.812 3.494 0.006) 3.936 9.489 ( -1.389 -0.263 4.032) 4.272 10.428 ( -3.233 -7.031 -4.232) 8.820 17.638 ( -1.552 -2.381 -0.835) 2.962 19.004 ( -3.659 -6.634 0.982) 7.640 ======================= Grid point 480 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -1.639 3.270 -7.707) 8.530 1.606 ( 2.062 -6.383 4.108) 7.866 2.290 ( -3.626 13.094 -1.430) 13.662 2.472 ( 0.532 10.071 3.040) 10.533 2.508 ( -2.818 3.666 1.160) 4.768 2.757 ( 5.345 1.664 -1.677) 5.844 2.884 ( 4.032 2.578 -1.093) 4.909 3.044 ( -0.702 -1.297 0.240) 1.494 3.459 ( 2.656 4.069 0.033) 4.860 3.799 ( -4.150 1.248 0.275) 4.342 3.990 ( 4.384 -2.190 0.830) 4.970 4.435 ( 3.834 0.142 -0.925) 3.946 8.195 ( -0.826 12.112 -0.158) 12.141 9.296 ( -0.383 8.063 0.025) 8.072 9.445 ( 0.724 -8.523 3.344) 9.184 10.296 ( -0.522 -11.154 -2.758) 11.501 17.599 ( -0.857 -1.220 -0.234) 1.509 18.903 ( -2.313 -4.256 0.184) 4.847 ======================= Grid point 481 (178/288) ======================= q-point: ( 0.71 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.168 2.641 -8.449) 8.854 1.603 ( 3.636 -6.971 6.609) 10.271 2.327 ( -6.401 13.099 -2.033) 14.721 2.426 ( -3.898 1.568 -0.650) 4.251 2.613 ( 0.602 7.258 5.729) 9.266 2.805 ( -2.026 3.042 -1.178) 3.840 2.917 ( -0.506 0.483 -1.370) 1.539 3.072 ( -0.479 5.371 -2.888) 6.117 3.525 ( 0.075 5.015 -0.700) 5.064 3.718 ( -5.483 1.293 -0.820) 5.693 4.077 ( 8.481 -6.171 4.367) 11.361 4.473 ( 3.184 -4.008 -1.407) 5.308 8.273 ( -7.030 16.879 -0.387) 18.289 9.345 ( -0.894 2.785 0.151) 2.929 9.394 ( 1.448 -5.911 3.075) 6.818 10.207 ( 5.317 -13.030 -2.206) 14.245 17.583 ( -0.034 -0.521 0.085) 0.529 18.848 ( -0.401 -2.288 -0.162) 2.329 ======================= Grid point 482 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 3.926 2.939 -8.128) 9.493 1.611 ( 2.666 -6.837 6.976) 10.125 2.322 ( -7.445 11.171 -2.010) 13.574 2.410 ( 0.256 2.487 -1.436) 2.883 2.672 ( -6.842 9.939 8.308) 14.650 2.754 ( -3.327 -1.121 -2.753) 4.462 2.909 ( -1.075 0.760 -2.243) 2.601 3.046 ( -6.215 2.497 -2.139) 7.031 3.532 ( -4.226 3.485 -1.247) 5.617 3.684 ( -0.132 2.519 -0.473) 2.566 4.141 ( 5.593 -8.013 4.166) 10.623 4.463 ( 1.497 -4.839 -1.534) 5.292 8.272 ( -11.315 14.828 -0.405) 18.656 9.342 ( 1.788 -3.591 0.649) 4.064 9.374 ( -1.611 -0.798 2.475) 3.060 10.228 ( 10.806 -9.447 -2.085) 14.504 17.588 ( 0.949 -0.150 0.085) 0.964 18.845 ( 1.795 -0.813 -0.164) 1.977 ======================= Grid point 483 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 4.854 0.979 -0.802) 5.016 1.589 ( 1.975 -3.395 -1.263) 4.126 2.290 ( -6.676 7.762 -1.715) 10.381 2.471 ( 1.943 2.980 0.705) 3.627 2.550 ( -14.623 5.190 2.008) 15.646 2.718 ( -2.053 -1.388 1.587) 2.943 2.803 ( -12.831 1.783 -3.160) 13.334 3.005 ( 2.594 -1.231 1.611) 3.292 3.470 ( -4.697 0.339 -0.999) 4.814 3.722 ( 0.197 3.833 -0.493) 3.869 4.129 ( 1.910 -7.873 1.359) 8.215 4.430 ( -1.132 -2.080 -0.806) 2.502 8.192 ( -10.365 7.358 -0.188) 12.712 9.298 ( -6.934 4.270 0.130) 8.144 9.379 ( 5.586 -7.604 2.911) 9.874 10.358 ( 12.094 -3.395 -2.393) 12.787 17.613 ( 2.200 -0.019 -0.243) 2.213 18.890 ( 4.023 0.048 0.186) 4.028 ======================= Grid point 491 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 0.000 3.052 -2.777) 4.127 1.441 ( 0.000 9.564 -1.678) 9.711 1.640 ( -0.000 13.471 4.346) 14.155 1.803 ( 0.000 -4.645 -8.752) 9.908 2.229 ( 0.000 0.580 -2.313) 2.384 2.521 ( -0.000 11.782 2.946) 12.145 2.942 ( -0.000 3.683 13.514) 14.007 3.112 ( 0.000 10.316 -2.991) 10.741 3.344 ( -0.000 -4.428 1.127) 4.569 3.659 ( -0.000 -0.423 0.542) 0.687 4.149 ( 0.000 7.964 -3.231) 8.595 4.352 ( 0.000 -2.234 -2.783) 3.568 7.880 ( -0.000 -4.878 0.514) 4.905 9.114 ( 0.000 -3.906 -0.287) 3.916 9.506 ( -0.000 14.329 5.494) 15.346 10.615 ( 0.000 1.239 -8.385) 8.476 17.738 ( 0.000 -5.161 -1.931) 5.510 19.220 ( -0.000 -11.382 3.276) 11.844 ======================= Grid point 492 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -0.554 -0.165 -11.638) 11.653 1.533 ( 13.211 3.570 -0.307) 13.688 1.727 ( 0.018 2.865 0.305) 2.882 1.937 ( 12.799 11.094 2.793) 17.167 2.266 ( 4.204 1.432 -2.888) 5.298 2.630 ( 0.868 7.582 2.624) 8.070 2.926 ( -5.835 -1.835 11.106) 12.679 3.154 ( -0.984 -0.404 -0.316) 1.109 3.331 ( -0.476 3.855 -0.373) 3.902 3.682 ( 2.796 -1.252 1.438) 3.384 4.198 ( -3.211 7.863 -4.491) 9.608 4.338 ( -0.865 3.756 -2.088) 4.384 7.883 ( 5.375 -3.568 0.503) 6.471 9.105 ( 3.214 -2.876 -0.299) 4.323 9.612 ( -3.361 10.279 3.857) 11.482 10.574 ( -3.455 -0.771 -5.240) 6.324 17.682 ( -0.857 -3.720 -1.394) 4.064 19.108 ( -1.968 -9.238 1.897) 9.634 ======================= Grid point 493 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -0.195 -4.678 -11.260) 12.195 1.667 ( -3.978 5.137 5.120) 8.272 1.937 ( 20.679 2.092 -2.140) 20.894 2.291 ( 12.581 12.594 1.770) 17.889 2.382 ( 9.288 1.312 -3.646) 10.064 2.701 ( -0.132 3.134 3.176) 4.464 2.817 ( -5.706 -1.012 6.622) 8.799 3.098 ( -1.892 -4.211 0.210) 4.621 3.383 ( 0.769 5.209 -0.001) 5.266 3.719 ( 3.283 -2.735 2.320) 4.863 4.164 ( -7.104 6.609 -5.708) 11.257 4.383 ( -0.212 6.026 -0.089) 6.031 7.992 ( 9.597 -0.227 0.340) 9.606 9.168 ( 6.084 -0.203 -0.199) 6.090 9.602 ( -7.327 4.419 2.336) 8.870 10.458 ( -6.750 -3.445 -2.815) 8.084 17.634 ( -1.041 -2.294 -0.822) 2.650 18.995 ( -2.666 -6.706 0.916) 7.275 ======================= Grid point 494 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 1.687 -4.325 -5.633) 7.299 1.630 ( -5.609 3.023 2.021) 6.685 2.265 ( 14.335 2.376 0.501) 14.539 2.507 ( 4.207 -0.621 0.543) 4.288 2.542 ( 3.144 4.792 -1.669) 5.969 2.733 ( 2.837 9.000 0.101) 9.437 2.837 ( 4.195 2.629 3.048) 5.814 3.038 ( -0.805 -2.575 0.273) 2.712 3.453 ( 2.553 3.770 0.444) 4.575 3.757 ( 4.455 -3.468 2.685) 6.252 4.073 ( -9.057 5.228 -4.656) 11.447 4.420 ( -0.568 2.562 0.262) 2.638 8.192 ( 11.095 5.133 0.136) 12.226 9.297 ( 6.879 3.686 -0.096) 7.806 9.472 ( -9.166 -2.418 1.411) 9.584 10.276 ( -8.274 -6.737 -1.414) 10.763 17.601 ( -0.819 -1.216 -0.352) 1.507 18.901 ( -2.327 -4.302 0.327) 4.902 ======================= Grid point 495 (185/288) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 2.369 -1.702 -2.197) 3.652 1.564 ( -3.483 -0.349 0.842) 3.600 2.432 ( 0.283 -0.970 3.125) 3.284 2.479 ( 2.516 2.033 -2.170) 3.895 2.628 ( 0.294 3.926 -0.335) 3.952 2.848 ( 1.040 3.025 -0.361) 3.219 2.970 ( 2.498 6.925 1.579) 7.529 3.054 ( 4.116 1.590 -1.563) 4.681 3.546 ( 3.442 4.992 0.009) 6.063 3.813 ( 3.087 -1.551 1.865) 3.926 3.951 ( -5.885 -0.481 -1.603) 6.118 4.414 ( -0.372 -1.708 -0.152) 1.755 8.442 ( 7.703 12.761 -0.191) 14.907 9.236 ( -7.518 -11.468 0.934) 13.744 9.495 ( 5.209 9.915 0.461) 11.210 10.063 ( -5.706 -11.378 -1.022) 12.769 17.582 ( -0.383 -0.542 -0.059) 0.667 18.839 ( -1.217 -2.265 0.027) 2.571 ======================= Grid point 496 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 1.592 1.734 -4.082) 4.712 1.533 ( 1.140 -3.100 3.520) 4.827 2.397 ( -0.561 -1.113 -0.275) 1.277 2.527 ( -4.790 7.278 -0.754) 8.745 2.663 ( 3.841 -2.465 0.532) 4.595 2.863 ( -0.108 0.453 0.295) 0.551 2.996 ( -6.561 5.879 2.848) 9.259 3.127 ( 0.508 1.579 -3.275) 3.670 3.648 ( -0.273 7.425 -1.616) 7.604 3.745 ( -7.251 1.669 -0.317) 7.448 3.951 ( 7.808 -8.308 2.587) 11.692 4.395 ( 1.312 -2.453 -0.481) 2.823 8.615 ( -9.071 17.812 -0.902) 20.009 9.058 ( 7.510 -17.857 1.782) 19.453 9.614 ( -8.514 12.175 0.979) 14.889 9.942 ( 9.652 -12.080 -1.594) 15.545 17.577 ( 0.211 -0.202 0.026) 0.293 18.818 ( 0.406 -0.739 -0.063) 0.846 ======================= Grid point 497 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 4.609 3.639 -3.053) 6.618 1.535 ( 1.134 -3.302 1.829) 3.941 2.394 ( -0.540 0.577 -0.489) 0.929 2.483 ( -3.704 1.190 0.795) 3.970 2.670 ( -1.345 -4.302 -2.658) 5.233 2.836 ( -6.647 1.168 3.307) 7.516 2.934 ( -1.381 0.908 0.139) 1.659 3.066 ( -8.709 2.204 -0.182) 8.985 3.569 ( -7.445 0.497 -1.205) 7.558 3.757 ( 0.172 2.809 0.863) 2.944 3.997 ( 5.725 -5.494 -0.673) 7.963 4.417 ( 1.723 1.085 0.033) 2.036 8.455 ( -15.678 0.566 -0.449) 15.695 9.179 ( 12.796 -1.518 1.888) 13.023 9.475 ( -11.108 -0.475 0.462) 11.128 10.117 ( 14.028 1.092 -1.570) 14.157 17.585 ( 1.011 -0.111 -0.108) 1.023 18.838 ( 2.279 0.142 0.046) 2.284 ======================= Grid point 506 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.000 -6.606 -14.457) 15.895 1.398 ( 0.000 1.748 -0.615) 1.853 1.874 ( -0.000 9.586 3.701) 10.276 1.879 ( -0.000 9.259 2.623) 9.623 2.232 ( 0.000 1.180 -2.445) 2.715 2.691 ( -0.000 4.983 2.456) 5.556 2.961 ( -0.000 -6.445 10.199) 12.064 3.137 ( -0.000 -4.331 0.120) 4.332 3.381 ( 0.000 4.850 -0.073) 4.850 3.653 ( -0.000 -0.440 0.459) 0.636 4.293 ( 0.000 7.905 -6.029) 9.942 4.396 ( 0.000 7.498 -0.351) 7.507 7.797 ( -0.000 -3.932 0.557) 3.972 9.043 ( 0.000 -3.156 -0.371) 3.177 9.747 ( -0.000 8.854 2.070) 9.093 10.591 ( 0.000 -0.558 -2.971) 3.023 17.654 ( 0.000 -2.848 -1.071) 3.043 19.045 ( -0.000 -7.840 1.262) 7.941 ======================= Grid point 507 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 0.059 -6.429 -8.774) 10.877 1.571 ( 17.060 1.303 0.373) 17.114 1.882 ( -5.965 8.825 1.994) 10.837 2.106 ( 12.560 4.518 -2.541) 13.587 2.307 ( 6.664 4.527 0.291) 8.061 2.729 ( -0.059 1.111 3.418) 3.595 2.884 ( -3.216 -5.546 6.374) 9.041 3.084 ( -1.184 -4.181 0.042) 4.346 3.419 ( 0.036 3.136 0.359) 3.157 3.663 ( 1.524 -1.121 0.775) 2.044 4.315 ( -4.198 7.453 -6.702) 10.867 4.465 ( -1.166 7.342 1.388) 7.562 7.826 ( 7.296 -2.553 0.406) 7.740 9.057 ( 4.837 -1.944 -0.301) 5.222 9.773 ( -5.778 5.466 0.428) 7.966 10.537 ( -5.022 -1.197 -0.995) 5.258 17.625 ( -0.474 -1.809 -0.716) 2.003 18.970 ( -1.328 -5.744 0.751) 5.943 ======================= Grid point 508 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 1.456 -4.259 -1.952) 4.906 1.790 ( -5.507 5.024 -0.538) 7.474 1.969 ( 19.196 1.590 0.344) 19.265 2.324 ( 11.537 -2.126 -2.511) 11.997 2.522 ( 9.399 7.917 0.089) 12.290 2.735 ( 1.343 -0.828 3.078) 3.459 2.833 ( -0.113 -0.329 2.951) 2.971 3.028 ( -1.207 -2.683 0.279) 2.955 3.451 ( 1.091 1.847 0.763) 2.277 3.680 ( 2.014 -2.009 1.103) 3.051 4.265 ( -7.870 6.252 -5.781) 11.595 4.490 ( -2.982 3.964 1.701) 5.244 7.990 ( 13.677 -0.159 0.262) 13.680 9.166 ( 9.336 0.104 -0.203) 9.339 9.659 ( -11.663 1.334 -0.743) 11.763 10.397 ( -9.811 -2.018 0.311) 10.021 17.601 ( -0.620 -0.909 -0.400) 1.171 18.899 ( -1.867 -3.514 0.407) 4.000 ======================= Grid point 509 (191/288) ======================= q-point: ( 0.71 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 3.077 -1.314 3.279) 4.684 1.683 ( -8.618 2.076 -3.860) 9.668 2.302 ( 16.422 0.967 1.211) 16.495 2.404 ( 2.321 -3.871 2.008) 4.940 2.685 ( 1.056 5.501 -3.267) 6.484 2.809 ( 7.606 0.131 -1.881) 7.836 2.893 ( 4.243 0.327 2.358) 4.865 3.029 ( 3.495 1.002 2.101) 4.200 3.510 ( 4.247 1.830 1.092) 4.752 3.702 ( 3.294 -2.908 1.186) 4.551 4.145 ( -10.911 4.020 -4.243) 12.378 4.452 ( -4.129 0.406 1.210) 4.322 8.268 ( 17.933 2.255 0.283) 18.077 9.346 ( 5.260 1.007 -0.067) 5.356 9.431 ( -8.868 -1.425 -1.510) 9.108 10.181 ( -13.400 -2.344 0.970) 13.638 17.585 ( -0.545 -0.280 -0.161) 0.634 18.845 ( -1.648 -1.526 0.186) 2.254 ======================= Grid point 510 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 3.090 1.444 3.665) 5.007 1.559 ( -5.391 0.045 -3.335) 6.339 2.393 ( -0.193 -1.213 0.923) 1.536 2.523 ( 9.321 -0.100 0.425) 9.332 2.666 ( -4.687 1.370 -0.237) 4.889 2.866 ( -0.051 0.401 -0.447) 0.603 3.020 ( 8.502 -3.021 -3.420) 9.649 3.102 ( 1.628 1.882 3.254) 4.096 3.637 ( 7.015 2.276 1.521) 7.530 3.743 ( 5.117 -3.843 0.367) 6.410 3.968 ( -12.145 1.940 -2.074) 12.473 4.392 ( -2.387 -0.046 0.325) 2.410 8.609 ( 19.767 0.788 0.703) 19.795 9.070 ( -19.528 -1.886 -1.412) 19.670 9.621 ( 14.945 -1.143 -0.873) 15.014 9.931 ( -15.089 1.968 1.370) 15.278 17.577 ( -0.309 0.066 -0.021) 0.316 18.818 ( -0.795 -0.015 0.051) 0.797 ======================= Grid point 511 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 2.254 3.903 0.000) 4.507 1.508 ( -0.339 -0.587 -0.000) 0.677 2.390 ( 0.278 0.482 -0.000) 0.557 2.546 ( -3.563 -6.172 -0.000) 7.127 2.638 ( 0.251 0.435 -0.000) 0.502 2.876 ( 0.513 0.888 -0.000) 1.026 2.970 ( -4.051 -7.016 -0.000) 8.101 3.162 ( 0.436 0.754 -0.000) 0.871 3.703 ( -4.471 -7.743 -0.000) 8.941 3.725 ( -0.448 -0.777 -0.000) 0.897 3.899 ( 3.464 6.000 0.000) 6.928 4.405 ( 1.990 3.447 -0.000) 3.980 8.635 ( -10.392 -18.000 0.000) 20.784 9.020 ( 9.245 16.012 0.000) 18.489 9.597 ( -7.223 -12.510 -0.000) 14.446 9.972 ( 7.996 13.850 -0.000) 15.993 17.576 ( 0.097 0.168 0.000) 0.194 18.819 ( 0.495 0.858 -0.000) 0.991 ======================= Grid point 522 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 -3.726 -3.398) 5.043 1.424 ( -0.000 0.799 1.436) 1.643 2.004 ( 0.000 3.463 -2.644) 4.357 2.069 ( 0.000 9.094 -2.603) 9.460 2.260 ( -0.000 2.181 1.319) 2.549 2.732 ( -0.000 -3.708 5.801) 6.884 2.863 ( -0.000 -4.948 2.900) 5.735 3.059 ( -0.000 -2.860 0.080) 2.862 3.441 ( -0.000 1.443 0.623) 1.572 3.647 ( -0.000 -0.388 0.189) 0.432 4.401 ( 0.000 6.531 -6.933) 9.525 4.548 ( -0.000 6.006 2.604) 6.546 7.738 ( -0.000 -2.323 0.254) 2.337 8.994 ( 0.000 -1.683 -0.252) 1.702 9.870 ( 0.000 3.770 -1.204) 3.957 10.575 ( -0.000 -0.371 0.616) 0.719 17.613 ( 0.000 -1.093 -0.557) 1.227 18.935 ( -0.000 -4.052 0.578) 4.093 ======================= Grid point 523 (195/288) ======================= q-point: ( 0.64 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -0.175 -0.037 2.656) 2.662 1.597 ( 17.434 0.706 2.547) 17.633 2.021 ( -9.163 4.172 -4.336) 10.962 2.113 ( 10.573 0.811 -4.218) 11.412 2.406 ( 10.044 3.301 0.717) 10.597 2.698 ( 0.845 -5.623 6.889) 8.932 2.831 ( -0.495 -1.467 -0.062) 1.550 3.030 ( -1.136 -1.225 0.364) 1.710 3.454 ( 0.276 0.585 0.817) 1.042 3.649 ( 0.659 -0.585 0.193) 0.902 4.404 ( -4.088 4.552 -6.295) 8.779 4.579 ( -2.456 2.828 2.982) 4.788 7.792 ( 8.397 -1.090 0.087) 8.468 9.031 ( 5.765 -0.594 -0.170) 5.798 9.831 ( -7.007 1.079 -2.319) 7.459 10.527 ( -5.922 0.068 1.704) 6.163 17.602 ( -0.335 -0.349 -0.374) 0.611 18.897 ( -1.028 -2.077 0.422) 2.356 ======================= Grid point 524 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.864 3.248 6.679) 7.477 1.827 ( -5.802 -0.193 -4.997) 7.660 1.995 ( 18.163 0.466 1.700) 18.248 2.299 ( 9.192 0.949 -0.189) 9.243 2.570 ( 9.804 -2.313 -4.802) 11.159 2.739 ( 3.800 0.153 4.039) 5.547 2.825 ( 2.926 -1.634 1.672) 3.745 3.005 ( -0.798 -0.073 0.688) 1.056 3.472 ( 1.556 -0.003 1.088) 1.898 3.657 ( 1.011 -0.573 0.202) 1.179 4.323 ( -7.786 2.138 -5.086) 9.542 4.536 ( -4.625 -0.319 2.564) 5.298 7.988 ( 15.345 -0.182 0.083) 15.346 9.168 ( 10.607 0.092 -0.153) 10.609 9.652 ( -13.281 -1.077 -2.878) 13.631 10.392 ( -11.090 1.060 2.221) 11.360 17.594 ( -0.543 0.269 -0.186) 0.634 18.865 ( -1.573 -0.221 0.265) 1.611 ======================= Grid point 525 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 1.571 5.424 7.157) 9.116 1.659 ( -8.046 -1.899 -5.771) 10.082 2.309 ( 14.395 -0.885 1.570) 14.507 2.398 ( 2.328 2.013 1.753) 3.542 2.733 ( 7.711 0.699 -7.386) 10.700 2.737 ( 3.957 -5.420 1.405) 6.857 2.891 ( 2.791 -1.436 2.452) 3.983 3.032 ( 4.385 -2.591 1.725) 5.377 3.521 ( 4.859 -1.752 1.579) 5.401 3.682 ( 2.301 1.053 0.063) 2.531 4.168 ( -10.565 0.066 -3.052) 10.997 4.452 ( -4.353 -0.924 1.306) 4.638 8.269 ( 18.320 -2.335 0.344) 18.471 9.345 ( 1.669 -0.655 -0.243) 1.809 9.395 ( -5.748 -1.354 -2.987) 6.618 10.212 ( -13.345 4.544 2.276) 14.280 17.588 ( -0.640 0.671 -0.016) 0.927 18.844 ( -1.555 1.219 0.101) 1.979 ======================= Grid point 537 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.000 5.288 8.545) 10.049 1.445 ( -0.000 0.304 3.022) 3.038 1.995 ( 0.000 -1.445 -6.672) 6.827 2.149 ( 0.000 0.573 -9.053) 9.071 2.315 ( -0.000 1.369 4.252) 4.467 2.651 ( -0.000 -4.695 7.376) 8.743 2.823 ( 0.000 -0.706 -1.340) 1.515 3.037 ( -0.000 0.166 0.675) 0.695 3.456 ( -0.000 -0.044 0.810) 0.811 3.641 ( 0.000 -0.200 -0.094) 0.221 4.454 ( 0.000 1.826 -6.115) 6.382 4.624 ( -0.000 0.073 3.541) 3.542 7.713 ( 0.000 -0.238 -0.093) 0.256 8.978 ( 0.000 0.136 -0.096) 0.167 9.884 ( 0.000 -1.005 -3.331) 3.479 10.589 ( -0.000 1.082 2.624) 2.839 17.604 ( 0.000 0.356 -0.275) 0.450 18.895 ( -0.000 -0.317 0.363) 0.482 ======================= Grid point 538 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -1.680 7.981 9.641) 12.628 1.628 ( 17.309 0.933 4.649) 17.947 1.952 ( -4.489 -5.710 -7.970) 10.784 2.132 ( 8.885 0.012 -5.711) 10.562 2.397 ( 6.012 -3.066 0.704) 6.785 2.670 ( 3.325 -0.449 6.070) 6.936 2.808 ( -0.626 -0.804 -1.331) 1.676 3.035 ( -1.273 1.235 0.638) 1.886 3.457 ( 0.327 -0.658 0.829) 1.108 3.644 ( 0.498 0.019 -0.091) 0.507 4.412 ( -3.717 -0.840 -5.480) 6.674 4.594 ( -2.880 -2.806 3.412) 5.273 7.787 ( 8.448 0.684 -0.127) 8.477 9.032 ( 5.735 0.822 -0.084) 5.794 9.795 ( -6.964 -3.108 -3.760) 8.502 10.560 ( -6.011 2.158 3.045) 7.076 17.608 ( -0.374 1.068 -0.117) 1.137 18.893 ( -0.983 1.399 0.218) 1.724 ======================= Grid point 539 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -0.832 9.263 8.248) 12.430 1.735 ( -6.567 -5.840 -5.841) 10.552 2.013 ( 20.230 0.362 3.622) 20.554 2.338 ( 13.418 1.018 -2.891) 13.763 2.446 ( 6.336 -5.674 -2.637) 8.905 2.744 ( 3.504 -2.441 3.143) 5.303 2.782 ( 0.866 -3.519 0.762) 3.703 3.024 ( -1.829 1.848 -0.054) 2.601 3.460 ( 1.332 -1.869 0.967) 2.490 3.663 ( 1.502 1.081 0.177) 1.859 4.293 ( -6.903 -2.718 -4.156) 8.504 4.505 ( -3.984 -3.964 2.461) 6.135 7.985 ( 13.921 -0.052 0.022) 13.921 9.168 ( 9.220 0.007 -0.145) 9.222 9.593 ( -11.603 -3.368 -3.646) 12.620 10.458 ( -10.104 4.331 2.994) 11.394 17.611 ( -0.768 1.627 0.071) 1.800 18.891 ( -1.692 2.750 0.014) 3.229 ======================= Grid point 552 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -0.000 -0.064 4.105) 4.105 1.482 ( -0.000 12.385 13.163) 18.073 1.897 ( 0.000 -5.066 -7.069) 8.697 1.986 ( 0.000 -11.021 -10.743) 15.390 2.339 ( -0.000 -0.987 3.716) 3.845 2.666 ( -0.000 1.630 4.436) 4.726 2.803 ( 0.000 -0.784 -1.369) 1.577 3.065 ( -0.000 2.404 0.585) 2.474 3.447 ( -0.000 -1.480 0.637) 1.611 3.639 ( 0.000 0.103 -0.174) 0.202 4.407 ( 0.000 -3.568 -5.231) 6.332 4.588 ( -0.000 -5.261 3.361) 6.243 7.729 ( 0.000 2.029 -0.153) 2.035 8.998 ( 0.000 1.852 -0.089) 1.854 9.800 ( 0.000 -5.780 -4.135) 7.107 10.643 ( -0.000 2.932 3.487) 4.556 17.626 ( 0.000 2.003 0.036) 2.003 18.923 ( 0.000 3.016 0.030) 3.016 ======================= Grid point 553 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 1.182 5.165 4.505) 6.955 1.716 ( 9.065 6.611 9.309) 14.579 1.761 ( -0.567 -9.294 -6.152) 11.160 2.008 ( 14.887 -8.199 -7.649) 18.637 2.361 ( 3.167 -1.940 1.915) 4.179 2.689 ( 0.609 -1.447 3.403) 3.748 2.781 ( -1.552 -1.307 -0.558) 2.104 3.081 ( -1.589 3.297 0.072) 3.660 3.429 ( 0.193 -2.965 0.580) 3.028 3.650 ( 1.120 0.668 0.063) 1.306 4.326 ( -3.052 -5.033 -4.609) 7.476 4.516 ( -2.410 -6.441 2.693) 7.386 7.817 ( 7.416 2.463 -0.020) 7.815 9.060 ( 4.775 1.997 -0.159) 5.178 9.675 ( -5.599 -7.433 -3.974) 10.119 10.638 ( -5.393 4.151 3.507) 7.656 17.645 ( -0.598 2.864 0.228) 2.934 18.949 ( -1.141 4.309 -0.242) 4.464 ======================= Grid point 567 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -0.000 -1.211 4.191) 4.363 1.666 ( 0.000 -14.701 -11.382) 18.593 1.737 ( 0.000 -8.178 -5.357) 9.777 1.817 ( -0.000 13.937 12.043) 18.419 2.315 ( -0.000 -2.760 1.652) 3.217 2.665 ( -0.000 -5.123 2.117) 5.543 2.795 ( -0.000 0.107 0.885) 0.891 3.132 ( 0.000 4.079 0.171) 4.082 3.393 ( -0.000 -4.804 0.334) 4.815 3.643 ( 0.000 0.376 -0.004) 0.376 4.285 ( 0.000 -5.966 -4.120) 7.251 4.475 ( -0.000 -6.987 1.637) 7.177 7.788 ( 0.000 4.033 0.148) 4.035 9.045 ( 0.000 3.102 -0.268) 3.113 9.622 ( 0.000 -10.748 -3.830) 11.410 10.732 ( -0.000 4.413 3.679) 5.745 17.685 ( -0.000 4.152 0.402) 4.171 19.006 ( 0.000 5.591 -0.604) 5.624 ======================= Grid point 644 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( -0.000 0.000 16.292) 16.292 0.366 ( -0.000 0.000 16.292) 16.292 0.605 ( -0.000 0.000 42.745) 42.745 1.228 ( 0.000 -0.000 -8.556) 8.556 1.228 ( 0.000 -0.000 -8.556) 8.556 2.223 ( -0.000 0.000 1.824) 1.824 2.223 ( -0.000 0.000 1.824) 1.824 2.869 ( 0.000 -0.000 -25.119) 25.119 3.679 ( -0.000 0.000 0.136) 0.136 3.679 ( -0.000 0.000 0.136) 0.136 4.065 ( -0.000 0.000 15.394) 15.394 5.414 ( 0.000 -0.000 -8.019) 8.019 8.163 ( 0.000 -0.000 -0.678) 0.678 8.163 ( 0.000 -0.000 -0.678) 0.678 9.306 ( -0.000 0.000 0.492) 0.492 9.306 ( -0.000 0.000 0.492) 0.492 18.294 ( 0.000 -0.000 -0.166) 0.166 20.534 ( 0.000 -0.000 -0.580) 0.580 ======================= Grid point 645 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 12.081 6.975 10.279) 17.328 0.610 ( 6.190 3.574 29.040) 29.906 0.996 ( 26.218 15.137 19.604) 36.067 1.269 ( 4.526 2.613 -7.850) 9.431 1.401 ( 16.073 9.280 -9.751) 20.965 2.209 ( -1.088 -0.628 1.625) 2.054 2.388 ( 11.441 6.605 -0.592) 13.224 2.792 ( -0.587 -0.339 -23.776) 23.786 3.665 ( -1.836 -1.060 0.459) 2.169 3.681 ( 0.017 0.010 0.183) 0.184 4.066 ( -2.499 -1.443 8.008) 8.512 5.001 ( -21.000 -12.125 11.317) 26.760 8.146 ( -1.672 -0.966 -0.584) 2.017 8.352 ( 13.953 8.056 2.475) 16.301 9.286 ( -1.621 -0.936 0.436) 1.922 9.995 ( 36.526 21.088 -35.046) 54.837 18.208 ( -6.631 -3.828 -0.740) 7.692 20.134 ( -24.009 -13.862 17.819) 32.956 ======================= Grid point 646 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 4.276 2.469 26.050) 26.514 0.862 ( 12.842 7.414 5.070) 15.672 1.386 ( 7.327 4.230 -5.557) 10.122 1.651 ( 26.449 15.270 8.174) 31.615 1.751 ( 15.830 9.139 -8.869) 20.317 2.186 ( -1.186 -0.685 1.142) 1.783 2.687 ( 15.201 8.776 2.407) 17.717 2.759 ( 3.281 1.895 -19.263) 19.632 3.589 ( -5.174 -2.987 1.932) 6.279 3.680 ( -0.109 -0.063 0.228) 0.261 4.016 ( -2.527 -1.459 0.539) 2.967 4.654 ( -13.866 -8.006 9.124) 18.428 8.088 ( -3.353 -1.936 -0.443) 3.897 8.731 ( 17.905 10.337 6.574) 21.695 9.238 ( -2.711 -1.565 0.362) 3.151 10.462 ( 15.093 8.714 -27.569) 32.616 18.037 ( -7.783 -4.493 -2.327) 9.283 19.732 ( -16.526 -9.541 14.358) 23.881 ======================= Grid point 647 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 4.153 2.398 16.383) 17.070 1.131 ( 10.406 6.008 1.585) 12.120 1.551 ( 7.960 4.596 -2.118) 9.432 1.921 ( 5.345 3.086 -12.431) 13.879 2.170 ( -0.179 -0.103 0.209) 0.293 2.233 ( 20.100 11.605 7.056) 24.258 2.859 ( 9.659 5.576 -11.504) 16.022 3.056 ( 15.075 8.704 4.931) 18.092 3.458 ( -6.649 -3.839 2.703) 8.140 3.677 ( -0.274 -0.158 0.248) 0.401 3.971 ( -0.990 -0.572 -2.646) 2.882 4.409 ( -9.188 -5.305 3.760) 11.256 8.000 ( -4.371 -2.523 -0.257) 5.053 9.131 ( 15.869 9.162 7.498) 19.799 9.171 ( -3.291 -1.900 0.268) 3.810 10.623 ( 5.524 3.189 -16.280) 17.485 17.868 ( -6.680 -3.857 -2.649) 8.156 19.442 ( -12.381 -7.148 7.706) 16.240 ======================= Grid point 648 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 4.639 2.678 5.921) 7.984 1.327 ( 7.178 4.144 -1.239) 8.381 1.709 ( 5.880 3.395 2.122) 7.114 1.952 ( 0.928 0.536 -8.877) 8.942 2.189 ( 2.156 1.245 -1.464) 2.889 2.577 ( 10.367 5.985 2.094) 12.152 3.089 ( 10.225 5.903 -3.041) 12.192 3.247 ( -2.067 -1.194 4.277) 4.898 3.366 ( -0.146 -0.085 1.939) 1.947 3.669 ( -0.447 -0.258 0.235) 0.567 3.977 ( 2.620 1.513 -1.219) 3.262 4.314 ( 1.331 0.768 -0.775) 1.721 7.899 ( -4.510 -2.604 -0.055) 5.208 9.098 ( -3.240 -1.871 0.171) 3.746 9.454 ( 11.525 6.654 6.433) 14.781 10.662 ( 1.294 0.747 -9.170) 9.291 17.735 ( -4.727 -2.729 -1.870) 5.770 19.215 ( -9.278 -5.356 3.444) 11.253 ======================= Grid point 649 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 5.721 3.303 -3.121) 7.307 1.446 ( 4.123 2.381 -3.509) 5.915 1.814 ( 2.750 1.588 5.941) 6.736 1.951 ( 0.546 0.315 -1.932) 2.033 2.256 ( 4.060 2.344 -3.111) 5.627 2.740 ( 4.726 2.728 -0.392) 5.471 3.122 ( -5.071 -2.928 2.047) 6.203 3.174 ( -6.057 -3.497 -0.198) 6.997 3.394 ( 3.329 1.922 -0.512) 3.877 3.658 ( -0.549 -0.317 0.204) 0.666 4.091 ( 6.885 3.975 2.452) 8.320 4.440 ( 8.473 4.892 -2.168) 10.021 7.806 ( -3.746 -2.163 0.098) 4.327 9.033 ( -2.546 -1.470 0.104) 2.942 9.674 ( 7.083 4.089 5.072) 9.624 10.651 ( -0.337 -0.195 -5.322) 5.337 17.649 ( -2.752 -1.589 -0.829) 3.284 19.048 ( -6.299 -3.637 1.120) 7.359 ======================= Grid point 650 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 6.660 3.845 -9.978) 12.598 1.499 ( 1.804 1.042 -5.001) 5.418 1.867 ( 0.643 0.371 7.947) 7.982 1.971 ( 0.594 0.343 5.892) 5.932 2.334 ( 3.371 1.946 -3.692) 5.365 2.798 ( 0.950 0.549 -0.886) 1.410 2.950 ( -9.531 -5.503 -1.914) 11.171 3.067 ( -1.914 -1.105 -0.976) 2.416 3.450 ( 1.396 0.806 0.141) 1.618 3.647 ( -0.480 -0.277 0.167) 0.578 4.255 ( 6.226 3.595 4.582) 8.525 4.605 ( 5.875 3.392 -2.217) 7.137 7.739 ( -2.234 -1.290 0.153) 2.584 8.990 ( -1.333 -0.770 0.089) 1.542 9.796 ( 2.997 1.730 4.137) 5.394 10.632 ( -0.225 -0.130 -3.498) 3.507 17.606 ( -1.076 -0.621 -0.027) 1.242 18.943 ( -3.298 -1.904 -0.028) 3.809 ======================= Grid point 651 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 7.675 4.431 -14.119) 16.671 1.510 ( 0.512 0.295 -5.494) 5.526 1.881 ( -1.308 -0.755 8.291) 8.427 1.983 ( -2.358 -1.361 12.611) 12.901 2.375 ( 1.043 0.602 -3.544) 3.743 2.763 ( -4.414 -2.549 -6.635) 8.367 2.806 ( -0.758 -0.438 0.541) 1.029 3.050 ( 0.261 0.151 -1.036) 1.079 3.464 ( -0.014 -0.008 -0.050) 0.052 3.639 ( -0.218 -0.126 0.116) 0.277 4.362 ( 1.941 1.121 5.798) 6.216 4.669 ( 0.270 0.156 -2.440) 2.460 7.711 ( -0.258 -0.149 0.114) 0.319 8.977 ( 0.147 0.085 0.121) 0.208 9.828 ( -0.949 -0.548 3.671) 3.831 10.632 ( 1.030 0.595 -2.791) 3.034 17.599 ( 0.383 0.221 0.345) 0.560 18.902 ( -0.339 -0.196 -0.447) 0.594 ======================= Grid point 652 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -0.111 -0.064 -5.154) 5.156 1.582 ( 10.060 5.808 -13.557) 17.853 1.844 ( -3.972 -2.293 7.362) 8.674 1.895 ( -8.657 -4.998 13.503) 16.801 2.364 ( -1.258 -0.726 -2.857) 3.204 2.707 ( 0.246 0.142 -6.362) 6.368 2.797 ( -0.484 -0.280 0.316) 0.642 3.071 ( 1.892 1.092 -0.784) 2.321 3.450 ( -1.304 -0.753 -0.259) 1.528 3.638 ( 0.105 0.060 0.052) 0.132 4.366 ( -2.732 -1.577 5.838) 6.635 4.610 ( -4.703 -2.716 -2.470) 5.966 7.729 ( 1.796 1.037 0.011) 2.074 8.997 ( 1.583 0.914 0.183) 1.837 9.771 ( -5.026 -2.902 3.573) 6.815 10.666 ( 2.673 1.543 -2.794) 4.163 17.625 ( 1.876 1.083 0.227) 2.178 18.924 ( 2.431 1.404 -0.283) 2.822 ======================= Grid point 659 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -0.000 15.431 11.642) 19.330 0.663 ( -0.000 10.741 25.499) 27.669 1.044 ( -0.000 25.957 24.515) 35.704 1.195 ( 0.000 2.322 -9.447) 9.728 1.415 ( 0.000 20.368 -9.415) 22.439 2.236 ( -0.000 -0.084 1.471) 1.474 2.327 ( -0.000 7.202 0.757) 7.242 2.729 ( 0.000 -0.368 -24.734) 24.736 3.670 ( -0.000 -1.859 0.146) 1.865 3.676 ( -0.000 -0.235 0.186) 0.299 4.093 ( -0.000 -3.020 7.437) 8.027 5.033 ( -0.000 -22.191 8.819) 23.879 8.131 ( 0.000 -2.548 -0.573) 2.612 8.360 ( -0.000 16.531 2.574) 16.730 9.297 ( -0.000 -1.437 0.426) 1.498 9.915 ( 0.000 40.449 -30.324) 50.553 18.206 ( 0.000 -7.808 -0.627) 7.833 20.176 ( -0.000 -26.258 14.782) 30.133 ======================= Grid point 660 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 2.214 8.536 24.692) 26.220 0.881 ( 5.566 15.977 10.777) 20.060 1.305 ( 9.399 5.824 -8.206) 13.769 1.505 ( 15.949 25.460 14.260) 33.256 1.642 ( 5.977 18.122 -11.263) 22.159 2.216 ( -1.948 0.271 1.427) 2.430 2.509 ( 12.098 5.333 1.283) 13.283 2.692 ( 1.642 3.341 -20.912) 21.241 3.620 ( -2.629 -4.143 0.635) 4.947 3.682 ( 0.541 0.152 0.394) 0.687 4.050 ( -2.664 -2.359 2.226) 4.197 4.776 ( -9.555 -14.340 8.809) 19.352 8.101 ( -0.654 -3.025 -0.498) 3.134 8.634 ( 10.116 17.637 5.942) 21.182 9.265 ( -1.726 -1.683 0.356) 2.437 10.284 ( 11.693 20.344 -28.416) 36.853 18.080 ( -4.656 -7.956 -1.665) 9.368 19.874 ( -10.940 -18.613 14.145) 25.811 ======================= Grid point 661 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.602 5.708 21.270) 22.031 1.159 ( 4.229 18.817 4.528) 19.811 1.524 ( 7.950 11.697 -5.372) 15.129 1.826 ( 4.993 6.484 -13.620) 15.890 2.052 ( 19.077 17.160 9.383) 27.321 2.190 ( -1.932 0.475 1.444) 2.458 2.743 ( 8.278 6.246 -13.054) 16.672 2.836 ( 15.686 4.957 1.476) 16.517 3.511 ( -4.754 -5.729 1.370) 7.569 3.700 ( 0.286 2.101 0.907) 2.306 3.990 ( -2.532 -0.855 -1.408) 3.020 4.514 ( -9.747 -9.562 4.981) 14.534 8.046 ( -2.822 -1.921 -0.416) 3.439 9.005 ( 13.010 13.387 7.636) 20.169 9.214 ( -2.772 -1.136 0.318) 3.012 10.510 ( 7.261 7.018 -18.839) 21.375 17.917 ( -5.541 -6.291 -2.365) 8.711 19.568 ( -10.987 -12.618 8.805) 18.906 ======================= Grid point 662 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -0.004 5.200 12.385) 13.433 1.388 ( 0.671 18.640 1.163) 18.689 1.746 ( 3.258 15.558 -2.276) 16.058 1.878 ( 3.447 -1.518 -11.385) 11.992 2.180 ( -0.014 1.247 0.851) 1.510 2.465 ( 12.497 9.180 4.205) 16.066 2.958 ( 11.266 8.430 -5.390) 15.067 3.119 ( 13.621 -3.348 1.279) 14.084 3.374 ( -4.862 -5.584 1.749) 7.608 3.735 ( -1.306 5.186 1.736) 5.622 3.954 ( -0.051 -0.152 -1.826) 1.833 4.327 ( -4.147 -3.829 0.890) 5.714 7.973 ( -4.694 0.104 -0.265) 4.703 9.152 ( -3.585 -0.062 0.334) 3.601 9.336 ( 11.668 7.611 6.824) 15.512 10.594 ( 3.635 0.342 -10.919) 11.513 17.775 ( -4.562 -4.312 -1.967) 6.578 19.312 ( -9.148 -8.972 4.304) 13.517 ======================= Grid point 663 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.889 4.496 3.343) 5.673 1.543 ( -3.050 17.934 -1.804) 18.281 1.866 ( 3.191 -0.766 -6.546) 7.322 1.921 ( -1.783 11.264 4.025) 12.094 2.233 ( 3.243 4.314 -1.409) 5.578 2.682 ( 6.176 4.554 0.056) 7.673 3.137 ( 3.199 -3.428 -0.200) 4.693 3.168 ( -1.512 -6.441 0.466) 6.632 3.328 ( 4.964 0.476 -0.582) 5.021 3.725 ( -4.996 3.527 0.095) 6.116 4.009 ( 6.131 0.969 2.662) 6.754 4.347 ( 6.220 3.160 -1.744) 7.192 7.896 ( -5.847 2.552 -0.098) 6.381 9.095 ( -4.116 1.585 0.211) 4.416 9.572 ( 9.339 2.147 5.435) 11.016 10.602 ( 1.985 -3.298 -6.219) 7.313 17.675 ( -3.005 -2.588 -1.045) 4.101 19.114 ( -6.756 -6.258 1.621) 9.350 ======================= Grid point 664 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 2.859 3.293 -4.097) 5.983 1.626 ( -5.890 16.635 -4.144) 18.127 1.894 ( 5.057 -5.378 1.196) 7.478 1.989 ( -4.884 12.133 6.282) 14.510 2.341 ( 2.232 7.656 -1.886) 8.195 2.779 ( 2.238 1.621 -1.151) 2.994 3.020 ( -5.851 -8.407 -3.144) 10.715 3.080 ( -2.536 -3.024 0.296) 3.957 3.426 ( 3.110 1.751 -0.053) 3.569 3.677 ( -2.999 1.342 -0.229) 3.293 4.162 ( 8.763 1.188 4.880) 10.100 4.508 ( 8.144 2.849 -2.132) 8.888 7.831 ( -6.071 4.909 0.018) 7.807 9.051 ( -4.016 3.326 0.159) 5.217 9.718 ( 6.828 -2.250 4.379) 8.417 10.580 ( 2.046 -5.003 -3.919) 6.676 17.618 ( -1.492 -1.307 -0.206) 1.994 18.976 ( -4.077 -3.977 0.230) 5.700 ======================= Grid point 665 (219/288) ======================= q-point: ( 0.71 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 5.115 1.996 -9.574) 11.037 1.657 ( -7.171 15.342 -5.308) 17.747 1.921 ( 2.238 -5.442 8.207) 10.099 2.041 ( -3.416 10.367 5.764) 12.344 2.415 ( -1.694 6.489 -0.485) 6.724 2.789 ( -1.073 -0.852 -3.380) 3.647 2.845 ( -5.843 -2.234 -3.270) 7.058 3.038 ( 0.007 -1.482 -0.571) 1.588 3.463 ( 0.442 0.659 -0.224) 0.825 3.651 ( -1.202 0.406 -0.053) 1.270 4.309 ( 6.258 -0.730 5.894) 8.628 4.621 ( 4.227 -0.709 -2.486) 4.955 7.792 ( -5.292 6.721 0.064) 8.555 9.028 ( -3.325 4.712 0.145) 5.769 9.781 ( 4.068 -5.461 3.851) 7.823 10.565 ( 3.323 -5.154 -3.011) 6.831 17.597 ( -0.142 -0.405 0.261) 0.503 18.903 ( -1.243 -1.972 -0.357) 2.358 ======================= Grid point 666 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 7.844 1.934 -10.869) 13.543 1.668 ( -6.788 14.863 -6.128) 17.451 1.887 ( -2.620 -5.992 9.443) 11.486 2.080 ( -6.536 9.173 7.937) 13.779 2.404 ( -3.788 2.416 -0.939) 4.590 2.720 ( -3.115 1.966 -7.278) 8.157 2.800 ( -0.534 -0.734 0.698) 1.145 3.040 ( 1.655 -0.646 -0.766) 1.935 3.462 ( -0.777 0.002 -0.490) 0.919 3.643 ( -0.287 0.508 -0.010) 0.583 4.369 ( 1.386 -3.330 5.963) 6.969 4.618 ( -0.903 -3.988 -2.854) 4.987 7.787 ( -3.663 7.689 0.064) 8.517 9.032 ( -2.140 5.367 0.145) 5.780 9.767 ( 0.658 -7.531 3.731) 8.430 10.582 ( 5.053 -4.140 -2.887) 7.142 17.606 ( 1.204 0.286 0.263) 1.266 18.895 ( 1.602 -0.233 -0.362) 1.659 ======================= Grid point 674 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.000 9.482 24.990) 26.728 1.003 ( -0.000 17.277 8.342) 19.185 1.220 ( 0.000 4.609 -8.335) 9.524 1.686 ( -0.000 27.872 11.618) 30.197 1.772 ( 0.000 18.655 -13.001) 22.739 2.235 ( -0.000 -0.496 0.290) 0.574 2.477 ( -0.000 8.548 2.872) 9.017 2.683 ( 0.000 7.859 -15.848) 17.690 3.600 ( -0.000 -5.527 0.903) 5.601 3.672 ( -0.000 -0.295 0.350) 0.457 4.054 ( -0.000 -2.112 0.303) 2.134 4.726 ( -0.000 -15.365 6.529) 16.694 8.064 ( -0.000 -4.122 -0.099) 4.123 8.766 ( -0.000 21.672 6.676) 22.677 9.256 ( -0.000 -2.925 0.113) 2.927 10.334 ( 0.000 19.606 -24.415) 31.313 18.029 ( 0.000 -9.233 -1.831) 9.413 19.800 ( -0.000 -20.313 11.624) 23.404 ======================= Grid point 675 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -1.198 8.657 19.607) 21.467 1.261 ( 7.134 17.073 6.350) 19.563 1.390 ( 14.197 7.088 -6.372) 17.099 1.841 ( -0.234 7.017 -17.448) 18.808 2.040 ( 7.047 22.216 9.556) 25.190 2.234 ( -0.343 1.234 0.743) 1.481 2.638 ( 6.354 10.402 1.098) 12.239 2.771 ( 2.854 10.676 -6.750) 12.949 3.517 ( -2.839 -6.605 0.948) 7.251 3.692 ( 2.190 0.463 1.088) 2.489 4.022 ( -2.007 -0.098 -2.011) 2.843 4.550 ( -5.565 -12.185 3.488) 13.842 8.033 ( 0.821 -3.803 -0.020) 3.890 9.029 ( 4.815 18.614 7.337) 20.579 9.223 ( -0.379 -2.716 0.042) 2.742 10.462 ( 2.932 10.458 -17.601) 20.682 17.913 ( -2.812 -7.890 -2.137) 8.644 19.590 ( -5.770 -16.391 7.852) 19.069 ======================= Grid point 676 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -2.511 7.305 12.457) 14.657 1.549 ( 5.520 16.845 3.098) 17.995 1.718 ( 14.314 10.186 -3.481) 17.909 1.828 ( -0.192 2.705 -15.801) 16.032 2.237 ( -1.561 3.799 2.034) 4.583 2.384 ( 9.553 12.803 5.891) 17.026 2.851 ( 8.689 4.184 2.697) 10.014 2.928 ( 6.435 8.474 -4.704) 11.634 3.396 ( -4.047 -6.388 0.942) 7.621 3.759 ( 3.442 2.070 3.217) 5.146 3.983 ( -2.885 2.080 -3.787) 5.195 4.361 ( -5.355 -6.981 0.670) 8.824 8.015 ( -0.133 -1.157 -0.097) 1.169 9.191 ( -0.915 -0.808 0.266) 1.249 9.288 ( 5.932 11.256 6.328) 14.210 10.528 ( 1.773 2.399 -10.790) 11.194 17.789 ( -3.349 -5.598 -1.859) 6.783 19.358 ( -6.983 -12.126 4.239) 14.621 ======================= Grid point 677 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -2.893 5.776 4.801) 8.049 1.731 ( 3.862 0.435 -4.058) 5.619 1.824 ( -3.682 16.771 -3.204) 17.467 2.056 ( 10.120 14.556 -3.172) 18.010 2.252 ( -3.187 6.800 3.698) 8.371 2.624 ( 7.104 6.035 1.457) 9.435 2.962 ( 7.111 -9.316 1.228) 11.784 3.114 ( 5.433 4.843 -2.376) 7.656 3.296 ( -0.995 -1.583 0.780) 2.026 3.828 ( -0.586 1.733 3.449) 3.904 3.950 ( -0.365 0.961 -2.333) 2.549 4.296 ( 1.918 1.174 -1.061) 2.486 8.004 ( -2.318 3.226 -0.128) 3.974 9.172 ( -2.013 1.916 0.169) 2.784 9.472 ( 5.952 3.371 4.983) 8.462 10.521 ( 0.860 -3.558 -6.120) 7.131 17.691 ( -2.670 -3.476 -1.118) 4.523 19.155 ( -6.129 -8.625 1.804) 10.733 ======================= Grid point 678 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -1.830 4.349 -0.977) 4.818 1.744 ( 4.406 -6.420 -1.679) 7.966 1.931 ( -6.860 21.480 -1.736) 22.615 2.253 ( -7.412 16.143 4.939) 18.437 2.342 ( 7.419 7.959 -0.789) 10.909 2.751 ( 3.361 2.410 -1.082) 4.275 2.942 ( 2.785 -9.681 -2.862) 10.473 3.099 ( -2.814 -3.561 0.339) 4.552 3.384 ( 4.798 3.837 0.016) 6.143 3.771 ( -6.011 1.680 -1.115) 6.341 4.028 ( 8.014 -0.946 4.037) 9.024 4.402 ( 6.703 2.880 -1.528) 7.454 7.998 ( -4.918 8.035 -0.125) 9.422 9.163 ( -3.333 5.335 0.176) 6.293 9.579 ( 6.072 -3.913 3.915) 8.216 10.471 ( 1.525 -7.634 -3.685) 8.612 17.628 ( -1.615 -1.913 -0.361) 2.530 19.001 ( -4.325 -5.792 0.446) 7.243 ======================= Grid point 679 (226/288) ======================= q-point: ( 0.71 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.010 3.073 -5.659) 6.440 1.762 ( 4.989 -6.852 3.647) 9.227 1.993 ( -8.380 19.305 -3.105) 21.273 2.275 ( -7.312 12.960 4.101) 15.435 2.500 ( 1.296 7.509 2.462) 8.007 2.782 ( 0.198 -0.338 -2.628) 2.657 2.889 ( -1.484 -0.982 -4.439) 4.782 3.033 ( -1.605 -1.608 -0.256) 2.286 3.461 ( 1.317 2.103 -0.343) 2.505 3.696 ( -3.867 0.920 -0.882) 4.072 4.175 ( 9.243 -2.668 5.604) 11.134 4.518 ( 5.811 -0.835 -1.974) 6.194 7.993 ( -7.081 11.788 -0.129) 13.752 9.163 ( -4.576 8.180 0.199) 9.375 9.625 ( 6.208 -9.306 3.447) 11.706 10.422 ( 3.796 -9.613 -2.736) 10.691 17.597 ( -0.542 -0.899 0.125) 1.057 18.904 ( -2.011 -3.454 -0.190) 4.001 ======================= Grid point 680 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 3.544 2.778 -9.202) 10.245 1.781 ( 3.054 -7.220 7.294) 10.708 2.014 ( -9.284 17.536 -3.387) 20.129 2.294 ( -4.467 10.774 1.429) 11.751 2.531 ( -5.965 5.075 5.513) 9.578 2.766 ( -0.617 0.472 -3.203) 3.296 2.846 ( -4.480 3.673 -4.022) 7.053 3.011 ( 0.083 -0.492 -0.797) 0.940 3.479 ( -0.804 1.503 -0.841) 1.901 3.659 ( -1.213 0.586 -0.274) 1.375 4.282 ( 5.899 -5.091 5.712) 9.662 4.556 ( 2.321 -4.440 -2.532) 5.614 7.989 ( -7.917 13.261 -0.100) 15.445 9.166 ( -5.195 9.223 0.197) 10.588 9.628 ( 5.445 -11.974 3.396) 13.586 10.411 ( 6.717 -9.131 -2.587) 11.627 17.592 ( 0.541 -0.268 0.233) 0.647 18.867 ( 0.572 -1.540 -0.329) 1.676 ======================= Grid point 689 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.000 9.263 14.577) 17.271 1.275 ( 0.000 4.879 -4.335) 6.527 1.365 ( -0.000 16.023 4.964) 16.774 1.830 ( 0.000 0.175 -18.089) 18.090 2.223 ( 0.000 -0.388 -1.284) 1.341 2.228 ( -0.000 20.170 7.371) 21.475 2.754 ( -0.000 17.509 2.804) 17.733 2.860 ( 0.000 12.460 0.028) 12.460 3.478 ( -0.000 -7.358 1.308) 7.474 3.668 ( -0.000 -0.353 0.511) 0.621 4.040 ( 0.000 2.049 -3.106) 3.721 4.485 ( -0.000 -11.295 0.777) 11.322 7.977 ( -0.000 -4.908 0.428) 4.926 9.189 ( 0.000 -3.840 -0.249) 3.848 9.200 ( -0.000 19.028 6.566) 20.129 10.502 ( 0.000 8.732 -13.461) 16.045 17.855 ( 0.000 -7.572 -1.997) 7.831 19.493 ( -0.000 -16.110 5.649) 17.072 ======================= Grid point 690 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -2.279 7.058 4.970) 8.928 1.455 ( 14.117 4.916 -0.836) 14.972 1.617 ( 9.331 12.715 0.596) 15.783 1.795 ( 2.133 1.070 -10.914) 11.172 2.238 ( 2.517 0.936 -1.907) 3.294 2.436 ( 2.861 13.588 5.070) 14.782 2.900 ( -2.988 9.656 10.266) 14.407 2.977 ( 0.901 13.144 -3.807) 13.714 3.388 ( -2.368 -6.766 0.732) 7.205 3.704 ( 4.004 -0.286 2.006) 4.488 4.050 ( -1.883 5.162 -4.298) 6.976 4.363 ( -2.994 -6.874 -1.239) 7.599 7.958 ( 2.956 -3.970 0.432) 4.968 9.164 ( 1.367 -3.177 -0.260) 3.469 9.385 ( 0.189 14.565 5.103) 15.434 10.533 ( -0.899 3.997 -8.538) 9.470 17.770 ( -1.538 -5.858 -1.648) 6.277 19.330 ( -3.370 -13.275 3.324) 14.094 ======================= Grid point 691 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -2.994 3.764 -2.529) 5.434 1.650 ( 1.985 -0.869 -0.133) 2.171 1.862 ( 18.621 5.224 -5.626) 20.142 2.001 ( 6.443 17.135 1.910) 18.406 2.322 ( 5.850 3.908 -2.036) 7.324 2.602 ( 3.272 7.816 3.151) 9.040 2.877 ( -4.747 -2.193 7.666) 9.280 3.110 ( 1.533 7.174 -1.861) 7.568 3.304 ( -1.433 -1.334 0.062) 1.959 3.778 ( 4.649 -2.054 4.212) 6.601 4.037 ( -5.038 5.210 -5.767) 9.262 4.294 ( -0.413 1.247 -1.035) 1.672 8.000 ( 4.382 -0.518 0.232) 4.419 9.176 ( 2.320 -0.686 -0.129) 2.422 9.495 ( -1.066 7.507 3.444) 8.328 10.499 ( -2.720 -1.247 -4.659) 5.537 17.691 ( -1.812 -3.866 -1.060) 4.400 19.158 ( -4.374 -9.915 1.586) 10.953 ======================= Grid point 692 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -2.140 2.118 -4.217) 5.182 1.642 ( 0.533 -3.038 0.995) 3.241 2.190 ( 4.016 9.531 -0.189) 10.344 2.230 ( 9.927 14.170 -1.068) 17.335 2.495 ( 2.554 13.418 1.076) 13.701 2.680 ( 1.830 -3.387 0.493) 3.881 2.814 ( 1.764 -2.475 1.609) 3.439 3.103 ( -1.969 -3.527 -0.021) 4.039 3.359 ( 3.255 5.708 0.074) 6.571 3.829 ( 2.431 -2.771 3.572) 5.133 3.975 ( -3.965 3.306 -3.901) 6.470 4.351 ( 2.817 4.148 -0.573) 5.047 8.088 ( 3.189 5.238 0.027) 6.133 9.225 ( 1.878 3.443 -0.003) 3.922 9.513 ( -1.203 -0.833 2.362) 2.778 10.403 ( -3.134 -6.277 -2.470) 7.438 17.633 ( -1.400 -2.255 -0.457) 2.693 19.010 ( -3.872 -6.871 0.540) 7.906 ======================= Grid point 693 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -1.868 2.189 -3.637) 4.638 1.630 ( 2.690 -5.158 2.299) 6.256 2.280 ( -4.551 13.984 -1.330) 14.766 2.492 ( 2.647 8.821 2.392) 9.515 2.518 ( -3.638 2.986 1.466) 4.930 2.745 ( 5.458 2.792 -1.503) 6.313 2.873 ( 2.653 3.247 -1.747) 4.542 3.043 ( -1.137 -1.661 -0.459) 2.065 3.459 ( 2.469 4.065 -0.128) 4.758 3.794 ( -5.550 1.800 -1.631) 6.058 4.006 ( 7.039 -3.305 3.418) 8.494 4.429 ( 3.474 0.417 -0.847) 3.600 8.194 ( -0.907 12.078 -0.183) 12.113 9.296 ( -0.329 7.935 0.048) 7.942 9.466 ( 1.046 -8.799 2.179) 9.124 10.279 ( -0.651 -10.742 -1.698) 10.895 17.598 ( -0.735 -1.180 -0.031) 1.391 18.903 ( -2.454 -4.312 0.002) 4.962 ======================= Grid point 694 (233/288) ======================= q-point: ( 0.79 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -1.017 2.655 -6.169) 6.793 1.648 ( 4.833 -6.803 5.472) 9.979 2.313 ( -7.127 14.200 -1.705) 15.979 2.417 ( -4.166 0.658 -1.594) 4.509 2.654 ( 2.762 5.555 5.023) 7.982 2.801 ( -3.016 4.587 0.209) 5.494 2.907 ( -1.271 2.058 -1.582) 2.890 3.049 ( -0.724 4.528 -3.079) 5.524 3.518 ( -0.227 4.742 -1.023) 4.857 3.711 ( -4.935 1.348 -1.168) 5.248 4.111 ( 8.922 -6.691 4.790) 12.137 4.462 ( 2.805 -3.715 -1.440) 4.872 8.271 ( -7.014 16.738 -0.370) 18.152 9.345 ( -1.528 4.453 0.084) 4.709 9.416 ( 2.374 -7.738 2.627) 8.510 10.192 ( 5.126 -12.830 -1.810) 13.934 17.584 ( 0.019 -0.551 0.136) 0.568 18.847 ( -0.466 -2.252 -0.193) 2.308 ======================= Grid point 704 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 0.000 3.817 -2.199) 4.405 1.405 ( 0.000 1.019 -8.357) 8.419 1.671 ( -0.000 13.053 3.956) 13.640 1.764 ( 0.000 2.603 -1.485) 2.997 2.211 ( 0.000 0.280 -2.354) 2.371 2.545 ( -0.000 10.866 3.377) 11.379 3.043 ( -0.000 3.202 13.714) 14.082 3.091 ( 0.000 12.353 -2.786) 12.663 3.351 ( -0.000 -5.110 0.721) 5.161 3.663 ( -0.000 -0.430 0.536) 0.687 4.120 ( 0.000 7.918 -4.913) 9.319 4.332 ( 0.000 -2.788 -2.504) 3.748 7.884 ( -0.000 -4.862 0.674) 4.909 9.111 ( 0.000 -3.919 -0.455) 3.945 9.539 ( -0.000 13.545 3.200) 13.918 10.564 ( 0.000 2.998 -5.278) 6.070 17.725 ( 0.000 -4.985 -1.322) 5.158 19.240 ( -0.000 -12.119 2.133) 12.305 ======================= Grid point 705 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -0.305 -2.760 -12.571) 12.874 1.530 ( 16.450 3.063 -0.345) 16.737 1.743 ( -2.823 6.115 3.479) 7.581 1.953 ( 12.677 10.648 1.438) 16.618 2.246 ( 3.848 1.690 -2.498) 4.889 2.649 ( 0.999 7.220 2.610) 7.742 3.009 ( -6.870 -2.973 10.997) 13.303 3.151 ( -0.920 0.627 -0.385) 1.178 3.328 ( -0.580 3.700 -0.401) 3.766 3.694 ( 3.570 -1.614 1.763) 4.296 4.155 ( -3.443 7.208 -6.917) 10.566 4.328 ( -0.463 4.742 -0.614) 4.804 7.887 ( 5.298 -3.578 0.547) 6.416 9.103 ( 3.273 -2.875 -0.390) 4.374 9.632 ( -3.307 9.520 1.336) 10.166 10.545 ( -3.369 0.433 -2.372) 4.143 17.674 ( -0.795 -3.557 -0.902) 3.755 19.120 ( -2.070 -9.649 1.156) 9.936 ======================= Grid point 706 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 1.006 -3.218 -8.202) 8.867 1.702 ( -4.732 3.886 4.216) 7.435 1.926 ( 21.212 3.106 -0.985) 21.461 2.298 ( 14.348 10.134 -0.023) 17.566 2.355 ( 7.028 3.557 -3.222) 8.510 2.723 ( 0.260 3.350 2.604) 4.251 2.867 ( -7.288 -2.353 6.647) 10.141 3.099 ( -1.856 -4.148 0.075) 4.545 3.383 ( 0.872 5.567 0.128) 5.636 3.738 ( 3.841 -3.418 2.674) 5.795 4.117 ( -6.644 6.712 -6.767) 11.618 4.385 ( -0.355 6.602 0.627) 6.641 7.995 ( 9.511 -0.222 0.328) 9.520 9.166 ( 6.157 -0.212 -0.232) 6.165 9.611 ( -7.105 3.755 0.057) 8.037 10.445 ( -6.812 -2.673 -0.549) 7.338 17.630 ( -0.945 -2.190 -0.491) 2.435 19.000 ( -2.787 -6.882 0.531) 7.444 ======================= Grid point 707 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 2.165 -1.939 -1.538) 3.289 1.638 ( -5.532 1.129 0.154) 5.648 2.271 ( 14.745 2.702 1.054) 15.027 2.505 ( 5.236 4.381 -1.115) 6.918 2.529 ( 3.437 0.290 -1.595) 3.800 2.736 ( 1.239 7.422 0.880) 7.576 2.858 ( 2.868 3.279 2.514) 5.030 3.040 ( -0.870 -2.331 0.365) 2.515 3.456 ( 2.432 3.951 0.441) 4.661 3.777 ( 4.679 -3.933 2.665) 6.668 4.037 ( -8.037 5.186 -4.738) 10.674 4.423 ( -0.947 2.927 0.587) 3.132 8.193 ( 10.982 5.180 0.178) 12.144 9.296 ( 6.935 3.678 -0.078) 7.851 9.476 ( -8.670 -3.055 -0.445) 9.203 10.272 ( -8.562 -6.192 0.174) 10.568 17.599 ( -0.722 -1.178 -0.177) 1.393 18.903 ( -2.435 -4.343 0.180) 4.982 ======================= Grid point 708 (238/288) ======================= q-point: ( 0.79 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.270 0.468 -0.000) 0.540 1.568 ( -1.295 -2.243 -0.000) 2.590 2.451 ( -2.590 -4.486 -0.000) 5.180 2.464 ( 3.695 6.400 0.000) 7.390 2.627 ( 1.828 3.166 -0.000) 3.656 2.846 ( 1.542 2.671 -0.000) 3.084 2.977 ( 4.005 6.937 0.000) 8.010 3.047 ( 1.309 2.268 -0.000) 2.618 3.546 ( 2.976 5.155 -0.000) 5.952 3.820 ( 0.071 0.123 -0.000) 0.142 3.944 ( -1.578 -2.733 -0.000) 3.156 4.413 ( -0.828 -1.434 -0.000) 1.656 8.441 ( 7.429 12.867 -0.000) 14.858 9.240 ( -6.861 -11.884 0.000) 13.722 9.496 ( 5.578 9.661 -0.000) 11.155 10.059 ( -6.305 -10.921 -0.000) 12.611 17.582 ( -0.320 -0.553 -0.000) 0.639 18.840 ( -1.294 -2.242 -0.000) 2.589 ======================= Grid point 720 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.000 -4.235 -12.072) 12.793 1.398 ( -0.000 2.375 0.543) 2.436 1.890 ( 0.000 8.135 0.178) 8.137 1.899 ( -0.000 8.039 2.984) 8.575 2.220 ( 0.000 1.801 -0.850) 1.991 2.709 ( -0.000 5.163 2.216) 5.618 3.038 ( -0.000 -8.305 10.266) 13.205 3.137 ( -0.000 -4.329 -0.078) 4.329 3.381 ( 0.000 5.144 0.189) 5.147 3.656 ( -0.000 -0.503 0.363) 0.620 4.239 ( 0.000 7.606 -8.106) 11.116 4.399 ( -0.000 8.668 1.078) 8.735 7.801 ( -0.000 -4.017 0.516) 4.050 9.040 ( 0.000 -3.110 -0.420) 3.138 9.753 ( 0.000 8.175 -0.557) 8.193 10.579 ( 0.000 0.340 -0.232) 0.412 17.648 ( 0.000 -2.722 -0.691) 2.808 19.052 ( -0.000 -8.072 0.759) 8.107 ======================= Grid point 721 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.667 -2.840 -5.745) 6.444 1.580 ( 17.253 1.800 1.967) 17.458 1.893 ( -6.455 7.053 1.182) 9.634 2.077 ( 12.141 2.829 -4.954) 13.415 2.314 ( 6.977 5.609 1.430) 9.065 2.752 ( 0.021 2.143 2.582) 3.356 2.935 ( -3.898 -7.995 7.020) 11.331 3.084 ( -1.141 -4.150 -0.078) 4.305 3.422 ( 0.044 3.376 0.476) 3.410 3.669 ( 1.911 -1.416 0.762) 2.497 4.261 ( -3.919 7.796 -7.569) 11.551 4.477 ( -1.330 7.943 1.924) 8.280 7.829 ( 7.278 -2.644 0.319) 7.750 9.054 ( 4.862 -1.896 -0.311) 5.228 9.768 ( -5.662 4.915 -1.836) 7.719 10.538 ( -5.089 -0.592 1.176) 5.256 17.621 ( -0.432 -1.730 -0.477) 1.846 18.974 ( -1.375 -5.841 0.497) 6.022 ======================= Grid point 722 (241/288) ======================= q-point: ( 0.71 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 2.091 -1.086 1.610) 2.854 1.782 ( -7.055 3.019 -1.838) 7.891 1.975 ( 20.253 1.946 1.607) 20.409 2.303 ( 13.354 -0.906 -3.364) 13.801 2.516 ( 7.657 6.567 -1.627) 10.217 2.760 ( -0.023 -0.554 3.394) 3.439 2.857 ( 0.242 -1.379 3.833) 4.081 3.030 ( -0.973 -2.492 0.427) 2.709 3.457 ( 1.135 2.015 0.739) 2.428 3.688 ( 2.380 -2.481 1.123) 3.617 4.220 ( -7.395 6.607 -6.299) 11.748 4.504 ( -3.330 4.339 1.981) 5.817 7.992 ( 13.696 -0.210 0.217) 13.699 9.165 ( 9.360 0.123 -0.220) 9.364 9.648 ( -11.421 0.878 -2.413) 11.706 10.404 ( -9.997 -1.597 1.776) 10.278 17.599 ( -0.558 -0.868 -0.290) 1.072 18.902 ( -1.935 -3.541 0.331) 4.049 ======================= Grid point 736 (242/288) ======================= q-point: ( 0.64 0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.000 0.543 0.875) 1.029 1.440 ( -0.000 1.175 2.798) 3.034 1.973 ( 0.000 2.191 -5.662) 6.071 2.045 ( 0.000 6.539 -3.864) 7.595 2.278 ( -0.000 3.206 3.287) 4.592 2.768 ( -0.000 -0.917 3.858) 3.966 2.890 ( -0.000 -8.933 4.392) 9.954 3.060 ( -0.000 -2.639 0.179) 2.645 3.446 ( -0.000 1.545 0.649) 1.676 3.648 ( -0.000 -0.476 0.077) 0.482 4.348 ( 0.000 6.987 -7.295) 10.101 4.568 ( -0.000 6.447 2.671) 6.978 7.739 ( -0.000 -2.442 0.136) 2.446 8.992 ( 0.000 -1.616 -0.242) 1.634 9.854 ( 0.000 3.365 -3.024) 4.524 10.586 ( -0.000 0.039 2.269) 2.270 17.610 ( 0.000 -1.033 -0.431) 1.119 18.939 ( -0.000 -4.099 0.475) 4.126 ======================= Grid point 738 (243/288) ======================= q-point: (-0.29 -0.36 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -0.386 3.056 6.390) 7.094 1.621 ( 17.295 1.056 4.120) 17.811 1.978 ( -7.709 1.335 -6.965) 10.474 2.080 ( 10.533 2.151 -4.805) 11.775 2.411 ( 8.576 2.414 0.589) 8.929 2.750 ( 0.284 -4.417 6.752) 8.073 2.832 ( 0.028 -3.226 0.606) 3.282 3.034 ( -1.163 -1.007 0.515) 1.622 3.460 ( 0.319 0.647 0.700) 1.006 3.650 ( 0.803 -0.738 0.141) 1.100 4.356 ( -3.897 4.950 -6.586) 9.114 4.601 ( -2.621 3.129 2.854) 4.981 7.792 ( 8.427 -1.179 0.013) 8.509 9.029 ( 5.757 -0.546 -0.174) 5.786 9.809 ( -6.887 0.797 -3.497) 7.765 10.543 ( -6.020 0.338 2.688) 6.602 17.600 ( -0.306 -0.292 -0.351) 0.550 18.900 ( -1.059 -2.113 0.432) 2.403 ======================= Grid point 753 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -0.000 7.458 12.060) 14.180 1.473 ( -0.000 0.452 4.370) 4.394 1.941 ( 0.000 -1.565 -7.838) 7.993 2.073 ( 0.000 -0.867 -11.383) 11.416 2.346 ( -0.000 1.397 4.218) 4.443 2.709 ( -0.000 -5.271 7.850) 9.456 2.813 ( 0.000 -0.898 -1.243) 1.533 3.043 ( -0.000 0.246 0.908) 0.941 3.461 ( -0.000 -0.038 0.578) 0.580 3.640 ( 0.000 -0.250 -0.116) 0.276 4.407 ( 0.000 2.197 -6.338) 6.708 4.648 ( -0.000 0.255 3.071) 3.081 7.712 ( 0.000 -0.297 -0.115) 0.319 8.978 ( 0.000 0.170 -0.120) 0.208 9.857 ( 0.000 -1.171 -3.901) 4.073 10.610 ( -0.000 1.266 3.021) 3.275 17.602 ( 0.000 0.443 -0.344) 0.561 18.898 ( -0.000 -0.393 0.450) 0.597 ======================= Grid point 860 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -0.000 0.000 15.867) 15.867 0.485 ( -0.000 0.000 15.867) 15.867 0.936 ( -0.000 0.000 45.873) 45.873 1.158 ( 0.000 -0.000 -10.403) 10.403 1.158 ( 0.000 -0.000 -10.403) 10.403 2.236 ( -0.000 0.000 1.722) 1.722 2.236 ( -0.000 0.000 1.722) 1.722 2.671 ( 0.000 -0.000 -28.559) 28.559 3.680 ( -0.000 0.000 0.138) 0.138 3.680 ( -0.000 0.000 0.138) 0.138 4.161 ( -0.000 0.000 10.563) 10.563 5.357 ( 0.000 -0.000 -7.022) 7.022 8.158 ( 0.000 -0.000 -0.674) 0.674 8.158 ( 0.000 -0.000 -0.674) 0.674 9.310 ( -0.000 0.000 0.488) 0.488 9.310 ( -0.000 0.000 0.488) 0.488 18.293 ( 0.000 -0.000 -0.175) 0.175 20.530 ( 0.000 -0.000 -0.574) 0.574 ======================= Grid point 861 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 9.842 5.682 11.524) 16.185 0.799 ( 11.898 6.870 21.376) 25.410 1.188 ( 16.244 9.378 32.076) 37.158 1.203 ( 5.267 3.041 -9.647) 11.404 1.324 ( 16.019 9.249 -10.885) 21.462 2.222 ( -1.170 -0.676 1.735) 2.199 2.384 ( 11.305 6.527 -0.480) 13.062 2.603 ( 0.786 0.454 -27.386) 27.402 3.665 ( -1.627 -0.939 -0.284) 1.900 3.682 ( 0.029 0.017 0.103) 0.109 4.122 ( -4.724 -2.728 6.359) 8.379 5.062 ( -17.974 -10.378 5.756) 21.539 8.141 ( -1.640 -0.947 -0.725) 2.027 8.368 ( 15.859 9.156 1.949) 18.416 9.290 ( -1.638 -0.946 0.531) 1.964 9.788 ( 30.708 17.729 -21.695) 41.569 18.203 ( -7.052 -4.071 -0.449) 8.155 20.235 ( -20.646 -11.920 10.123) 25.900 ======================= Grid point 862 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 11.291 6.519 6.535) 14.584 0.993 ( 2.089 1.206 28.252) 28.354 1.338 ( 8.502 4.909 -7.271) 12.217 1.644 ( 14.370 8.296 -10.004) 19.375 1.765 ( 24.873 14.361 12.647) 31.382 2.196 ( -1.389 -0.802 1.564) 2.241 2.602 ( 5.922 3.419 -22.022) 23.059 2.698 ( 16.205 9.356 -0.422) 18.716 3.596 ( -4.576 -2.642 0.327) 5.294 3.681 ( -0.092 -0.053 0.072) 0.128 4.026 ( -4.149 -2.395 1.706) 5.086 4.713 ( -14.908 -8.607 6.900) 18.546 8.084 ( -3.283 -1.896 -0.694) 3.854 8.779 ( 18.786 10.846 6.412) 22.620 9.242 ( -2.749 -1.587 0.532) 3.218 10.276 ( 17.886 10.326 -22.197) 30.319 18.023 ( -8.216 -4.744 -1.530) 9.610 19.824 ( -17.962 -10.371 10.352) 23.181 ======================= Grid point 863 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.244 0.141 21.294) 21.296 1.147 ( 9.184 5.302 2.754) 10.956 1.529 ( 9.451 5.456 -3.867) 11.578 1.828 ( 5.719 3.302 -12.792) 14.396 2.175 ( -0.631 -0.364 1.067) 1.292 2.286 ( 18.065 10.430 7.190) 22.064 2.772 ( 13.223 7.634 -11.303) 18.997 3.070 ( 15.535 8.969 -1.097) 17.972 3.473 ( -6.254 -3.611 1.440) 7.363 3.678 ( -0.256 -0.148 0.033) 0.298 3.963 ( -1.394 -0.805 0.272) 1.633 4.436 ( -10.648 -6.148 3.497) 12.783 7.997 ( -4.272 -2.467 -0.562) 4.965 9.174 ( -3.345 -1.931 0.476) 3.892 9.186 ( 15.722 9.077 7.078) 19.485 10.510 ( 8.098 4.675 -13.714) 16.599 17.851 ( -6.664 -3.848 -1.831) 7.910 19.492 ( -13.797 -7.965 5.726) 16.929 ======================= Grid point 864 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 0.644 0.372 11.541) 11.565 1.321 ( 6.190 3.574 -0.363) 7.157 1.718 ( 7.584 4.378 0.341) 8.763 1.886 ( 2.877 1.661 -8.827) 9.431 2.182 ( 1.358 0.784 -0.299) 1.596 2.587 ( 9.171 5.295 0.620) 10.608 3.070 ( 11.996 6.926 -1.805) 13.969 3.256 ( -0.717 -0.414 -1.893) 2.066 3.370 ( -1.833 -1.058 -0.688) 2.226 3.670 ( -0.429 -0.247 0.001) 0.495 3.987 ( 3.551 2.050 3.800) 5.591 4.310 ( 0.136 0.079 -0.293) 0.332 7.898 ( -4.408 -2.545 -0.360) 5.102 9.100 ( -3.297 -1.903 0.379) 3.825 9.500 ( 11.111 6.415 5.816) 14.087 10.599 ( 2.764 1.596 -7.586) 8.230 17.724 ( -4.486 -2.590 -1.191) 5.315 19.237 ( -10.110 -5.837 2.366) 11.911 ======================= Grid point 865 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 2.280 1.317 2.458) 3.602 1.422 ( 3.397 1.961 -2.681) 4.751 1.854 ( 4.013 2.317 4.688) 6.591 1.936 ( 3.062 1.768 -2.153) 4.139 2.234 ( 3.461 1.998 -2.497) 4.712 2.734 ( 4.525 2.613 -1.118) 5.343 3.131 ( -4.348 -2.510 0.733) 5.074 3.157 ( -7.617 -4.398 -4.466) 9.864 3.389 ( 4.032 2.328 -0.780) 4.721 3.659 ( -0.528 -0.305 0.003) 0.610 4.124 ( 7.008 4.046 6.229) 10.212 4.424 ( 8.357 4.825 -2.103) 9.876 7.806 ( -3.668 -2.118 -0.154) 4.238 9.035 ( -2.589 -1.495 0.273) 3.002 9.710 ( 6.776 3.912 4.635) 9.094 10.614 ( 0.355 0.205 -4.484) 4.503 17.645 ( -2.514 -1.451 -0.347) 2.923 19.054 ( -6.721 -3.880 0.548) 7.780 ======================= Grid point 866 (251/288) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 3.929 2.268 -5.870) 7.419 1.465 ( 1.392 0.804 -4.017) 4.327 1.924 ( 1.136 0.656 7.282) 7.399 2.012 ( 3.195 1.845 5.103) 6.297 2.306 ( 3.248 1.875 -3.913) 5.420 2.789 ( 0.667 0.385 -1.835) 1.990 2.925 ( -9.714 -5.608 -4.533) 12.098 3.062 ( -2.008 -1.160 -0.398) 2.353 3.450 ( 1.402 0.809 -0.316) 1.649 3.648 ( -0.463 -0.267 0.049) 0.537 4.296 ( 6.300 3.637 6.502) 9.757 4.587 ( 5.805 3.352 -2.534) 7.166 7.740 ( -2.194 -1.267 0.009) 2.534 8.991 ( -1.355 -0.782 0.184) 1.575 9.827 ( 2.833 1.635 4.036) 5.195 10.606 ( 0.054 0.031 -3.263) 3.264 17.607 ( -0.941 -0.543 0.224) 1.109 18.941 ( -3.474 -2.006 -0.278) 4.021 ======================= Grid point 875 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -0.000 13.525 12.053) 18.117 0.822 ( -0.000 17.011 17.660) 24.521 1.122 ( 0.000 2.856 -10.299) 10.688 1.264 ( -0.000 14.989 30.824) 34.275 1.345 ( 0.000 19.802 -6.401) 20.811 2.245 ( -0.000 -0.326 0.936) 0.991 2.334 ( -0.000 7.471 0.673) 7.502 2.535 ( 0.000 1.949 -27.384) 27.453 3.668 ( 0.000 -1.716 -0.392) 1.760 3.677 ( -0.000 -0.194 0.232) 0.303 4.140 ( -0.000 -5.334 5.087) 7.371 5.080 ( -0.000 -18.852 4.231) 19.320 8.127 ( 0.000 -2.447 -0.316) 2.468 8.376 ( -0.000 18.770 1.805) 18.856 9.299 ( -0.000 -1.501 0.244) 1.521 9.737 ( 0.000 33.374 -18.212) 38.020 18.203 ( -0.000 -8.214 -0.388) 8.223 20.259 ( -0.000 -22.519 8.170) 23.955 ======================= Grid point 876 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 4.152 17.041 9.115) 19.766 1.043 ( 3.345 5.864 23.903) 24.838 1.242 ( 10.115 6.408 -8.513) 14.692 1.554 ( 5.756 16.795 -12.379) 21.643 1.634 ( 13.183 21.115 20.481) 32.235 2.226 ( -1.692 0.062 1.029) 1.981 2.480 ( 7.833 4.391 -14.984) 17.469 2.563 ( 6.397 9.133 -7.781) 13.596 3.620 ( -2.449 -3.778 -0.263) 4.510 3.685 ( 0.549 0.351 0.305) 0.719 4.066 ( -3.306 -4.177 1.809) 5.626 4.830 ( -9.514 -14.900 5.707) 18.576 8.097 ( -0.786 -2.873 -0.393) 3.004 8.676 ( 10.846 18.952 5.168) 22.440 9.268 ( -1.636 -1.790 0.284) 2.442 10.103 ( 12.311 21.358 -20.348) 31.965 18.070 ( -4.915 -8.427 -1.017) 9.808 19.960 ( -11.169 -19.113 9.118) 23.942 ======================= Grid point 877 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -0.132 4.753 18.752) 19.346 1.204 ( 2.287 15.900 9.177) 18.501 1.481 ( 8.967 12.252 -6.104) 16.364 1.723 ( 5.478 5.194 -14.183) 16.067 2.127 ( 17.204 15.475 10.469) 25.398 2.201 ( -1.911 0.714 1.663) 2.632 2.635 ( 9.465 10.417 -14.666) 20.327 2.843 ( 15.996 5.540 -0.245) 16.930 3.516 ( -4.376 -5.557 0.363) 7.083 3.706 ( 0.244 2.711 0.567) 2.781 3.985 ( -2.724 -2.021 -0.056) 3.392 4.546 ( -10.337 -10.808 3.677) 15.401 8.043 ( -2.869 -1.783 -0.502) 3.415 9.058 ( 13.110 13.494 6.441) 19.886 9.217 ( -2.708 -1.232 0.370) 2.998 10.386 ( 9.084 9.121 -14.107) 19.098 17.903 ( -5.634 -6.431 -1.483) 8.677 19.623 ( -11.929 -13.740 5.881) 19.123 ======================= Grid point 878 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -2.255 1.820 14.846) 15.126 1.402 ( -0.841 18.255 2.504) 18.445 1.716 ( 4.553 13.061 -6.153) 15.139 1.803 ( 5.732 1.921 -8.292) 10.262 2.190 ( -0.889 1.644 1.806) 2.599 2.489 ( 10.555 8.201 2.176) 13.543 2.923 ( 13.610 10.742 -3.553) 17.699 3.109 ( 12.699 -3.180 -3.786) 13.627 3.383 ( -4.646 -5.665 0.986) 7.393 3.742 ( -2.011 5.885 -0.132) 6.220 3.955 ( 1.508 -0.692 2.090) 2.668 4.334 ( -5.038 -4.917 1.125) 7.129 7.970 ( -4.666 0.212 -0.458) 4.694 9.155 ( -3.629 -0.144 0.420) 3.656 9.382 ( 11.491 7.299 5.345) 14.625 10.523 ( 4.941 1.650 -7.811) 9.388 17.764 ( -4.422 -4.220 -1.136) 6.217 19.338 ( -9.874 -9.658 2.666) 14.067 ======================= Grid point 879 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -1.639 1.745 7.803) 8.162 1.533 ( -4.235 17.569 -0.938) 18.097 1.818 ( 5.769 -1.069 -6.205) 8.540 1.946 ( -0.229 13.843 2.534) 14.075 2.227 ( 1.993 4.214 -0.127) 4.663 2.679 ( 5.642 4.373 -1.094) 7.222 3.129 ( 2.342 -6.194 -2.832) 7.202 3.157 ( -0.051 -3.353 -2.310) 4.072 3.325 ( 4.234 0.891 -0.147) 4.329 3.720 ( -4.828 3.341 -1.351) 6.024 4.044 ( 6.892 0.674 6.608) 9.572 4.335 ( 5.745 2.925 -1.342) 6.584 7.894 ( -5.786 2.622 -0.324) 6.360 9.097 ( -4.139 1.531 0.341) 4.427 9.609 ( 9.183 1.859 4.155) 10.249 10.562 ( 2.599 -2.666 -4.316) 5.700 17.670 ( -2.800 -2.460 -0.421) 3.751 19.123 ( -7.177 -6.581 0.764) 9.767 ======================= Grid point 880 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.084 1.403 0.877) 1.657 1.599 ( -6.563 16.273 -3.165) 17.830 1.898 ( 7.564 -3.620 -0.079) 8.386 2.035 ( -4.484 11.683 6.183) 13.958 2.327 ( 1.900 8.586 -1.840) 8.984 2.768 ( 2.169 1.432 -1.794) 3.158 2.984 ( -5.777 -8.422 -6.080) 11.886 3.082 ( -2.920 -2.961 0.282) 4.168 3.425 ( 3.076 1.794 -0.311) 3.575 3.674 ( -2.651 1.159 -0.595) 2.954 4.207 ( 8.857 0.915 6.963) 11.303 4.492 ( 7.937 2.881 -2.140) 8.710 7.831 ( -6.005 4.934 -0.167) 7.773 9.052 ( -4.043 3.301 0.261) 5.226 9.748 ( 6.806 -2.430 3.571) 8.061 10.554 ( 2.233 -4.731 -2.949) 6.005 17.618 ( -1.341 -1.236 0.150) 1.830 18.977 ( -4.288 -4.096 -0.149) 5.931 ======================= Grid point 890 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -0.000 16.317 7.635) 18.015 1.156 ( -0.000 8.162 22.379) 23.821 1.160 ( 0.000 5.428 -7.308) 9.103 1.651 ( 0.000 14.960 -15.080) 21.242 1.811 ( -0.000 24.086 17.371) 29.696 2.234 ( 0.000 -0.889 -0.391) 0.971 2.445 ( 0.000 10.572 -13.186) 16.901 2.611 ( 0.000 13.005 -1.412) 13.081 3.602 ( -0.000 -4.984 -0.104) 4.985 3.675 ( -0.000 -0.240 0.394) 0.462 4.056 ( -0.000 -3.799 -0.029) 3.799 4.763 ( -0.000 -16.455 3.734) 16.873 8.064 ( -0.000 -3.994 0.253) 4.002 8.811 ( -0.000 22.656 5.379) 23.285 9.256 ( 0.000 -3.007 -0.146) 3.011 10.179 ( 0.000 21.449 -16.970) 27.351 18.018 ( 0.000 -9.675 -1.117) 9.739 19.870 ( -0.000 -21.234 7.227) 22.430 ======================= Grid point 891 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -0.201 5.343 13.744) 14.748 1.310 ( 6.585 15.358 7.613) 18.363 1.352 ( 13.125 8.513 -2.513) 15.845 1.712 ( 0.190 5.995 -17.251) 18.264 2.118 ( 6.261 18.739 10.784) 22.509 2.236 ( 0.615 1.302 0.008) 1.439 2.595 ( 5.226 16.004 -10.319) 19.747 2.768 ( 2.895 11.658 4.054) 12.678 3.520 ( -2.890 -6.277 0.032) 6.911 3.700 ( 2.566 0.869 0.989) 2.884 4.008 ( -2.079 -1.386 -1.734) 3.041 4.569 ( -5.576 -13.640 1.714) 14.835 8.033 ( 0.632 -3.652 0.202) 3.711 9.077 ( 4.916 18.594 5.274) 19.943 9.223 ( -0.254 -2.797 -0.117) 2.811 10.352 ( 3.680 12.762 -11.673) 17.682 17.901 ( -2.848 -8.067 -1.265) 8.648 19.637 ( -6.134 -17.519 4.690) 19.145 ======================= Grid point 892 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -2.849 2.818 10.372) 11.119 1.577 ( 5.230 14.124 4.520) 15.725 1.693 ( 14.985 11.981 -4.498) 19.706 1.720 ( 0.044 5.001 -11.695) 12.719 2.249 ( -0.229 3.148 1.110) 3.346 2.423 ( 8.094 11.522 4.220) 14.700 2.846 ( 8.400 13.957 -2.826) 16.533 2.915 ( 5.222 2.782 0.458) 5.934 3.400 ( -3.869 -6.321 0.239) 7.415 3.781 ( 3.720 3.374 2.458) 5.591 3.959 ( -2.514 0.517 -2.561) 3.626 4.364 ( -5.381 -8.101 0.342) 9.731 8.014 ( -0.287 -1.011 -0.053) 1.052 9.193 ( -0.840 -1.049 0.100) 1.347 9.327 ( 5.954 10.926 3.920) 13.046 10.464 ( 2.534 3.975 -6.306) 7.873 17.779 ( -3.269 -5.551 -0.978) 6.516 19.382 ( -7.409 -12.852 2.265) 15.007 ======================= Grid point 893 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -3.066 1.820 5.890) 6.885 1.696 ( 3.888 -2.111 -5.063) 6.723 1.814 ( -4.030 21.557 0.490) 21.936 2.034 ( 11.478 13.929 -2.675) 18.246 2.280 ( -2.737 7.378 3.551) 8.633 2.629 ( 6.006 5.869 -0.212) 8.400 2.958 ( 5.006 -8.737 -2.416) 10.356 3.100 ( 6.323 6.093 -1.053) 8.844 3.300 ( -1.004 -1.887 0.516) 2.199 3.835 ( -3.945 3.226 -1.723) 5.379 3.954 ( 4.137 -1.061 3.548) 5.552 4.291 ( 1.609 0.831 -0.491) 1.876 8.003 ( -2.386 3.326 -0.204) 4.098 9.173 ( -1.950 1.830 0.183) 2.680 9.502 ( 6.026 2.938 2.712) 7.232 10.486 ( 1.201 -2.746 -3.070) 4.290 17.686 ( -2.519 -3.380 -0.413) 4.235 19.164 ( -6.436 -8.960 0.724) 11.055 ======================= Grid point 894 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -2.732 1.609 3.599) 4.796 1.728 ( 5.248 -4.103 -2.797) 7.225 1.923 ( -7.443 20.884 -0.399) 22.175 2.286 ( -4.974 17.297 3.379) 18.312 2.340 ( 5.753 7.436 0.650) 9.424 2.740 ( 2.967 2.178 -1.897) 4.141 2.912 ( 1.910 -8.965 -5.287) 10.582 3.099 ( -2.673 -3.604 -0.027) 4.488 3.384 ( 4.646 3.764 -0.031) 5.980 3.757 ( -5.709 1.710 -2.396) 6.423 4.067 ( 8.803 -1.719 6.348) 10.988 4.391 ( 6.376 2.993 -1.186) 7.142 7.997 ( -4.921 8.067 -0.251) 9.453 9.164 ( -3.304 5.286 0.222) 6.237 9.603 ( 6.283 -4.191 2.256) 7.883 10.450 ( 1.511 -7.264 -1.852) 7.647 17.627 ( -1.477 -1.866 0.072) 2.381 19.002 ( -4.513 -5.900 -0.048) 7.429 ======================= Grid point 906 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 0.000 6.038 -5.087) 7.895 1.357 ( -0.000 3.186 8.851) 9.407 1.408 ( -0.000 15.194 6.169) 16.399 1.709 ( 0.000 2.819 -13.181) 13.479 2.212 ( 0.000 -0.780 -1.711) 1.881 2.286 ( -0.000 17.528 7.843) 19.203 2.723 ( 0.000 21.121 -7.075) 22.275 2.910 ( -0.000 13.809 10.131) 17.126 3.484 ( -0.000 -7.047 0.396) 7.058 3.672 ( -0.000 -0.321 0.492) 0.587 4.017 ( 0.000 1.117 -3.265) 3.451 4.485 ( -0.000 -12.700 -0.566) 12.713 7.981 ( -0.000 -4.839 0.675) 4.886 9.187 ( 0.000 -3.888 -0.458) 3.915 9.239 ( -0.000 18.621 3.709) 18.987 10.422 ( 0.000 10.842 -7.552) 13.213 17.843 ( 0.000 -7.639 -1.099) 7.718 19.525 ( -0.000 -17.028 2.954) 17.282 ======================= Grid point 907 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 0.027 0.972 -3.657) 3.784 1.451 ( 14.738 4.592 -1.527) 15.513 1.620 ( 4.637 9.893 1.780) 11.070 1.749 ( 4.323 8.583 -1.606) 9.743 2.223 ( 2.616 0.273 -2.270) 3.475 2.471 ( 2.639 12.225 4.218) 13.199 2.924 ( 1.680 18.478 -2.479) 18.720 3.001 ( -5.109 7.312 9.057) 12.712 3.391 ( -2.560 -6.755 0.004) 7.224 3.720 ( 5.056 -0.046 2.161) 5.498 4.016 ( -2.076 4.321 -4.861) 6.827 4.353 ( -2.673 -7.630 -1.385) 8.202 7.962 ( 2.806 -3.912 0.549) 4.845 9.162 ( 1.476 -3.224 -0.388) 3.567 9.411 ( 0.238 13.934 1.852) 14.059 10.487 ( -0.671 5.478 -3.494) 6.532 17.761 ( -1.492 -5.814 -0.777) 6.053 19.348 ( -3.516 -13.835 1.428) 14.346 ======================= Grid point 908 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -0.416 -0.965 -5.124) 5.231 1.663 ( -1.157 1.686 3.393) 3.962 1.829 ( 20.199 6.832 -3.317) 21.580 2.016 ( 6.135 17.249 2.272) 18.448 2.304 ( 7.103 2.458 -2.918) 8.062 2.621 ( 2.677 7.677 1.938) 8.358 2.927 ( -7.555 -1.318 5.658) 9.530 3.100 ( 1.998 8.478 -0.806) 8.748 3.303 ( -1.322 -1.676 -0.262) 2.150 3.810 ( 5.298 -2.370 4.228) 7.181 3.992 ( -4.695 4.569 -6.102) 8.952 4.290 ( -0.226 1.446 -0.259) 1.486 8.001 ( 4.227 -0.447 0.241) 4.257 9.175 ( 2.436 -0.739 -0.171) 2.552 9.510 ( -0.847 6.929 0.454) 6.996 10.478 ( -2.678 -0.412 -0.930) 2.865 17.686 ( -1.716 -3.807 -0.350) 4.190 19.165 ( -4.530 -10.157 0.470) 11.131 ======================= Grid point 909 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -0.067 -0.117 -0.000) 0.135 1.646 ( -0.759 -1.315 -0.000) 1.518 2.190 ( 5.076 8.791 -0.000) 10.152 2.226 ( 8.816 15.269 -0.000) 17.631 2.499 ( 6.492 11.244 -0.000) 12.984 2.682 ( -1.179 -2.042 -0.000) 2.357 2.820 ( -0.770 -1.333 -0.000) 1.540 3.103 ( -1.971 -3.415 -0.000) 3.943 3.360 ( 3.318 5.748 -0.000) 6.637 3.844 ( -0.862 -1.493 -0.000) 1.723 3.958 ( 0.685 1.187 -0.000) 1.370 4.349 ( 2.538 4.395 -0.000) 5.075 8.088 ( 3.064 5.306 -0.000) 6.127 9.225 ( 1.958 3.392 -0.000) 3.917 9.522 ( -0.739 -1.280 0.000) 1.478 10.393 ( -3.370 -5.837 -0.000) 6.740 17.631 ( -1.294 -2.241 -0.000) 2.588 19.012 ( -3.999 -6.926 -0.000) 7.997 ======================= Grid point 922 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.000 -3.320 -13.195) 13.606 1.329 ( 0.000 4.828 -1.425) 5.034 1.697 ( -0.000 12.102 2.992) 12.466 1.778 ( -0.000 5.927 4.591) 7.497 2.195 ( 0.000 0.310 -1.899) 1.924 2.569 ( -0.000 10.028 2.834) 10.421 3.072 ( 0.000 14.424 -1.935) 14.553 3.141 ( -0.000 2.351 12.186) 12.411 3.356 ( -0.000 -5.309 0.685) 5.353 3.667 ( -0.000 -0.448 0.425) 0.617 4.077 ( 0.000 6.984 -6.481) 9.527 4.317 ( 0.000 -2.373 -1.479) 2.797 7.889 ( -0.000 -4.898 0.703) 4.948 9.108 ( 0.000 -3.905 -0.534) 3.941 9.550 ( 0.000 12.900 -0.225) 12.902 10.541 ( 0.000 4.071 -0.656) 4.124 17.719 ( 0.000 -4.936 -0.524) 4.964 19.250 ( -0.000 -12.422 0.659) 12.440 ======================= Grid point 923 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 0.926 -2.761 -11.061) 11.438 1.529 ( 17.336 3.924 0.180) 17.776 1.775 ( -3.862 6.117 5.173) 8.893 1.957 ( 12.486 9.060 -0.455) 15.433 2.231 ( 3.278 2.553 -1.381) 4.379 2.667 ( 1.024 6.968 2.063) 7.339 3.083 ( -7.899 -3.525 8.819) 12.354 3.150 ( -0.884 1.111 0.022) 1.420 3.326 ( -0.813 3.800 -0.273) 3.896 3.708 ( 4.493 -2.074 1.845) 5.282 4.100 ( -3.284 6.634 -7.891) 10.819 4.328 ( -0.339 5.708 0.581) 5.748 7.891 ( 5.222 -3.625 0.484) 6.375 9.100 ( 3.339 -2.855 -0.405) 4.412 9.631 ( -3.167 8.995 -1.672) 9.682 10.541 ( -3.428 1.061 1.186) 3.779 17.669 ( -0.751 -3.536 -0.264) 3.625 19.125 ( -2.121 -9.741 0.216) 9.971 ======================= Grid point 939 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.000 -1.177 -7.912) 7.999 1.406 ( -0.000 3.112 1.664) 3.529 1.881 ( 0.000 6.419 -2.532) 6.900 1.919 ( -0.000 6.057 2.482) 6.546 2.221 ( -0.000 2.910 1.071) 3.101 2.724 ( -0.000 5.175 1.740) 5.459 3.108 ( -0.000 -9.426 8.314) 12.568 3.136 ( 0.000 -4.337 -0.272) 4.345 3.384 ( -0.000 5.195 0.500) 5.219 3.658 ( -0.000 -0.564 0.199) 0.598 4.178 ( 0.000 7.811 -8.158) 11.295 4.410 ( -0.000 9.311 1.755) 9.474 7.804 ( -0.000 -4.125 0.373) 4.142 9.037 ( 0.000 -3.050 -0.385) 3.075 9.739 ( 0.000 7.799 -3.043) 8.371 10.588 ( -0.000 0.693 2.521) 2.614 17.644 ( 0.000 -2.743 -0.190) 2.749 19.056 ( -0.000 -8.043 0.118) 8.043 ======================= Grid point 1078 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -0.000 0.000 14.905) 14.905 0.599 ( -0.000 0.000 14.905) 14.905 1.076 ( 0.000 -0.000 -11.420) 11.420 1.076 ( 0.000 -0.000 -11.420) 11.420 1.273 ( -0.000 0.000 44.796) 44.796 2.248 ( -0.000 0.000 1.315) 1.315 2.248 ( -0.000 0.000 1.315) 1.315 2.448 ( 0.000 -0.000 -31.618) 31.618 3.681 ( -0.000 0.000 0.112) 0.112 3.681 ( -0.000 0.000 0.112) 0.112 4.221 ( -0.000 0.000 5.826) 5.826 5.313 ( 0.000 -0.000 -4.860) 4.860 8.153 ( 0.000 -0.000 -0.538) 0.538 8.153 ( 0.000 -0.000 -0.538) 0.538 9.313 ( -0.000 0.000 0.389) 0.389 9.313 ( -0.000 0.000 0.389) 0.389 18.292 ( 0.000 -0.000 -0.147) 0.147 20.526 ( 0.000 -0.000 -0.457) 0.457 ======================= Grid point 1079 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 8.101 4.677 11.792) 15.052 0.931 ( 16.859 9.733 15.104) 24.639 1.128 ( 5.939 3.429 -10.659) 12.674 1.241 ( 15.821 9.135 -11.342) 21.504 1.451 ( 8.392 4.845 37.351) 38.588 2.234 ( -1.132 -0.654 1.519) 2.004 2.369 ( 6.947 4.011 -13.150) 15.403 2.401 ( 5.983 3.454 -17.640) 18.945 3.663 ( -1.709 -0.986 -0.132) 1.977 3.682 ( 0.018 0.010 0.003) 0.021 4.158 ( -5.718 -3.301 3.430) 7.441 5.092 ( -15.212 -8.783 2.766) 17.782 8.136 ( -1.667 -0.962 -0.721) 2.056 8.381 ( 17.563 10.140 1.323) 20.324 9.294 ( -1.614 -0.932 0.519) 1.934 9.665 ( 25.138 14.513 -11.996) 31.408 18.201 ( -7.276 -4.201 -0.258) 8.406 20.291 ( -17.937 -10.356 5.237) 21.364 ======================= Grid point 1080 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 9.802 5.659 7.612) 13.640 1.190 ( 2.432 1.404 24.355) 24.516 1.280 ( 9.595 5.540 -8.434) 13.924 1.559 ( 13.063 7.542 -12.008) 19.280 1.879 ( 21.376 12.342 17.056) 30.003 2.208 ( -1.427 -0.824 1.656) 2.336 2.435 ( 9.195 5.309 -22.411) 24.799 2.687 ( 16.177 9.340 -2.527) 18.850 3.597 ( -4.264 -2.462 0.122) 4.925 3.681 ( -0.096 -0.055 -0.099) 0.148 4.038 ( -4.826 -2.786 1.454) 5.759 4.755 ( -15.239 -8.798 4.390) 18.136 8.078 ( -3.260 -1.882 -0.804) 3.849 8.822 ( 19.701 11.374 4.706) 23.230 9.246 ( -2.754 -1.590 0.594) 3.235 10.141 ( 18.939 10.935 -13.925) 25.926 18.015 ( -8.525 -4.922 -0.808) 9.877 19.884 ( -18.529 -10.698 5.932) 22.203 ======================= Grid point 1081 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 7.881 4.550 3.791) 9.859 1.234 ( -2.353 -1.358 20.510) 20.689 1.495 ( 10.830 6.253 -5.191) 13.541 1.735 ( 6.283 3.627 -11.835) 13.882 2.185 ( -0.868 -0.501 1.641) 1.923 2.331 ( 15.126 8.733 3.887) 17.894 2.702 ( 17.361 10.024 -6.825) 21.177 3.042 ( 14.942 8.627 -6.122) 18.307 3.481 ( -5.950 -3.435 0.798) 6.917 3.677 ( -0.251 -0.145 -0.188) 0.346 3.973 ( -0.963 -0.556 2.194) 2.460 4.460 ( -11.479 -6.628 2.798) 13.547 7.992 ( -4.202 -2.426 -0.753) 4.910 9.178 ( -3.379 -1.951 0.587) 3.945 9.231 ( 15.680 9.053 4.715) 18.710 10.428 ( 9.715 5.609 -8.160) 13.872 17.841 ( -6.674 -3.853 -0.870) 7.755 19.525 ( -14.664 -8.466 3.036) 17.203 ======================= Grid point 1082 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -2.314 -1.336 14.113) 14.363 1.322 ( 5.168 2.984 0.548) 5.992 1.714 ( 9.206 5.315 -1.492) 10.734 1.824 ( 4.604 2.658 -7.662) 9.325 2.184 ( 0.656 0.379 0.948) 1.214 2.585 ( 8.511 4.914 -1.298) 9.913 3.064 ( 12.876 7.434 0.195) 14.869 3.218 ( 1.214 0.701 -8.137) 8.257 3.362 ( -3.894 -2.248 -1.066) 4.621 3.669 ( -0.408 -0.235 -0.233) 0.525 4.028 ( 4.792 2.767 6.531) 8.560 4.310 ( -1.073 -0.619 0.438) 1.314 7.894 ( -4.312 -2.489 -0.591) 5.014 9.104 ( -3.347 -1.932 0.508) 3.898 9.536 ( 10.951 6.323 3.623) 13.154 10.554 ( 3.587 2.071 -4.106) 5.832 17.718 ( -4.333 -2.502 -0.351) 5.016 19.249 ( -10.624 -6.134 0.919) 12.301 ======================= Grid point 1094 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.000 11.888 10.525) 15.877 0.935 ( -0.000 20.263 13.648) 24.430 1.047 ( 0.000 3.673 -9.380) 10.073 1.250 ( 0.000 19.496 -11.380) 22.574 1.548 ( -0.000 8.004 36.708) 37.571 2.250 ( -0.000 -0.615 0.267) 0.671 2.289 ( 0.000 2.314 -22.772) 22.889 2.374 ( 0.000 9.903 -5.953) 11.555 3.666 ( 0.000 -1.865 -0.333) 1.895 3.679 ( -0.000 -0.137 0.232) 0.269 4.167 ( -0.000 -6.451 2.372) 6.873 5.101 ( -0.000 -16.335 1.778) 16.431 8.126 ( -0.000 -2.308 0.002) 2.308 8.386 ( 0.000 20.644 0.920) 20.665 9.300 ( -0.000 -1.594 0.015) 1.594 9.637 ( 0.000 27.561 -9.275) 29.080 18.200 ( -0.000 -8.430 -0.216) 8.433 20.303 ( -0.000 -19.896 3.936) 20.281 ======================= Grid point 1095 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 3.647 16.143 8.788) 18.738 1.155 ( 8.370 6.152 -2.964) 10.802 1.224 ( 7.456 8.785 12.756) 17.189 1.460 ( 5.746 15.258 -13.013) 20.861 1.799 ( 9.132 15.059 22.726) 28.752 2.227 ( -0.896 0.046 -1.669) 1.894 2.326 ( 5.447 7.645 -20.558) 22.600 2.549 ( 8.597 10.882 0.090) 13.868 3.618 ( -2.328 -3.752 -0.238) 4.422 3.686 ( 0.497 0.534 0.167) 0.748 4.076 ( -3.446 -5.176 0.797) 6.269 4.861 ( -9.189 -15.102 2.793) 17.897 8.095 ( -1.056 -2.666 -0.216) 2.876 8.707 ( 11.531 20.096 3.079) 23.373 9.270 ( -1.451 -1.936 0.157) 2.424 9.988 ( 12.165 21.069 -10.627) 26.548 18.065 ( -5.061 -8.720 -0.481) 10.094 20.010 ( -11.085 -19.083 4.402) 22.504 ======================= Grid point 1096 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 1.305 14.321 6.690) 15.860 1.315 ( 0.700 4.109 15.182) 15.744 1.437 ( 8.011 12.245 -5.194) 15.527 1.623 ( 6.661 4.482 -11.530) 14.050 2.192 ( 11.946 11.888 4.914) 17.555 2.215 ( 0.783 2.057 2.841) 3.594 2.543 ( 12.367 14.071 -8.830) 20.710 2.831 ( 14.090 6.710 -2.875) 15.869 3.518 ( -4.070 -5.537 0.191) 6.875 3.708 ( 0.049 3.073 -0.011) 3.074 3.988 ( -2.223 -2.712 0.819) 3.601 4.567 ( -10.374 -11.586 2.011) 15.681 8.039 ( -3.016 -1.607 -0.490) 3.452 9.095 ( 13.276 13.559 3.213) 19.246 9.220 ( -2.586 -1.355 0.345) 2.940 10.309 ( 9.998 10.241 -6.350) 15.658 17.895 ( -5.683 -6.535 -0.562) 8.679 19.654 ( -12.396 -14.320 2.441) 19.097 ======================= Grid point 1097 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -2.412 -0.199 11.824) 12.069 1.426 ( -2.830 17.220 4.034) 17.911 1.659 ( 6.064 8.139 -7.878) 12.849 1.759 ( 6.886 8.009 -3.753) 11.209 2.206 ( -1.249 2.058 2.277) 3.313 2.493 ( 9.178 7.828 -1.330) 12.136 2.911 ( 15.225 11.692 0.266) 19.199 3.066 ( 10.963 -2.268 -7.730) 13.604 3.389 ( -4.523 -5.681 0.502) 7.279 3.734 ( -2.557 5.400 -1.675) 6.205 3.981 ( 3.418 -0.349 4.465) 5.634 4.343 ( -5.463 -5.733 1.300) 8.025 7.966 ( -4.701 0.345 -0.559) 4.747 9.158 ( -3.601 -0.240 0.443) 3.637 9.410 ( 11.563 7.116 2.147) 13.746 10.484 ( 5.467 2.314 -2.586) 6.475 17.759 ( -4.332 -4.186 -0.184) 6.026 19.351 ( -10.242 -9.997 0.659) 14.327 ======================= Grid point 1110 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.000 10.404 -6.336) 12.181 1.153 ( -0.000 11.385 6.924) 13.325 1.300 ( -0.000 8.355 15.745) 17.824 1.537 ( 0.000 12.723 -15.112) 19.755 1.945 ( -0.000 18.403 16.390) 24.643 2.229 ( 0.000 -1.247 -0.999) 1.598 2.325 ( 0.000 15.214 -15.091) 21.429 2.630 ( -0.000 15.677 4.342) 16.267 3.600 ( 0.000 -4.766 -0.299) 4.775 3.678 ( -0.000 -0.184 0.359) 0.403 4.053 ( 0.000 -4.905 -0.626) 4.945 4.781 ( -0.000 -17.119 0.972) 17.146 8.067 ( -0.000 -3.878 0.557) 3.918 8.841 ( -0.000 23.375 2.433) 23.501 9.254 ( 0.000 -3.087 -0.377) 3.110 10.089 ( 0.000 21.991 -7.201) 23.140 18.012 ( -0.000 -9.940 -0.467) 9.951 19.907 ( -0.000 -21.537 2.805) 21.719 ======================= Grid point 1111 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 10.542 7.071 -4.622) 13.509 1.355 ( 5.128 14.050 3.198) 15.295 1.398 ( 4.321 4.026 9.068) 10.821 1.603 ( 0.455 7.450 -9.066) 11.743 2.185 ( 4.498 13.147 5.916) 15.102 2.234 ( 1.554 3.705 -0.935) 4.125 2.529 ( 6.029 19.440 -5.247) 21.019 2.803 ( 1.012 13.717 4.663) 14.523 3.519 ( -2.868 -6.182 -0.193) 6.818 3.706 ( 2.753 1.300 0.597) 3.103 3.996 ( -1.827 -2.522 -1.418) 3.421 4.575 ( -5.321 -14.523 -0.159) 15.468 8.036 ( 0.381 -3.514 0.384) 3.555 9.102 ( 5.022 18.465 1.316) 19.180 9.222 ( -0.074 -2.862 -0.253) 2.875 10.296 ( 3.985 13.875 -3.054) 14.755 17.895 ( -2.852 -8.181 -0.357) 8.671 19.658 ( -6.269 -17.996 1.162) 19.092 ======================= Grid point 1112 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -0.476 -0.824 -0.000) 0.951 1.617 ( 3.840 6.652 0.000) 7.681 1.632 ( 8.128 14.078 -0.000) 16.256 1.692 ( 7.075 12.254 -0.000) 14.150 2.253 ( 1.324 2.293 -0.000) 2.647 2.440 ( 6.522 11.296 0.000) 13.044 2.832 ( 9.402 16.285 -0.000) 18.804 2.919 ( 1.916 3.318 -0.000) 3.831 3.401 ( -3.675 -6.366 -0.000) 7.350 3.791 ( 2.762 4.784 -0.000) 5.525 3.949 ( -0.756 -1.310 -0.000) 1.512 4.366 ( -5.026 -8.705 -0.000) 10.052 8.014 ( -0.501 -0.867 -0.000) 1.002 9.193 ( -0.681 -1.180 -0.000) 1.363 9.342 ( 6.145 10.643 0.000) 12.290 10.440 ( 2.673 4.629 -0.000) 5.345 17.775 ( -3.210 -5.559 -0.000) 6.419 19.390 ( -7.560 -13.094 -0.000) 15.120 ======================= Grid point 1126 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 0.000 7.562 -4.618) 8.861 1.356 ( 0.000 -2.915 -10.199) 10.608 1.453 ( -0.000 13.928 5.988) 15.160 1.670 ( -0.000 7.170 3.627) 8.036 2.198 ( 0.000 -1.006 -1.851) 2.107 2.332 ( -0.000 15.641 3.604) 16.051 2.684 ( 0.000 22.721 -2.204) 22.827 2.984 ( -0.000 15.746 9.320) 18.297 3.485 ( -0.000 -6.834 -0.230) 6.838 3.675 ( -0.000 -0.299 0.375) 0.480 3.993 ( 0.000 -0.025 -3.106) 3.106 4.477 ( 0.000 -13.389 -1.776) 13.507 7.986 ( -0.000 -4.819 0.792) 4.883 9.183 ( 0.000 -3.911 -0.579) 3.953 9.251 ( 0.000 18.265 -0.617) 18.275 10.395 ( 0.000 11.730 0.393) 11.737 17.839 ( -0.000 -7.693 -0.126) 7.694 19.536 ( -0.000 -17.296 -0.041) 17.296 ======================= Grid point 1300 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -0.000 0.000 11.976) 11.976 0.701 ( -0.000 0.000 11.976) 11.976 0.994 ( 0.000 -0.000 -10.280) 10.280 0.994 ( 0.000 -0.000 -10.280) 10.280 1.590 ( -0.000 0.000 40.092) 40.092 2.207 ( 0.000 -0.000 -33.108) 33.108 2.255 ( -0.000 0.000 0.707) 0.707 2.255 ( -0.000 0.000 0.707) 0.707 3.681 ( -0.000 0.000 0.062) 0.062 3.681 ( -0.000 0.000 0.062) 0.062 4.251 ( -0.000 0.000 2.359) 2.359 5.286 ( 0.000 -0.000 -2.394) 2.394 8.150 ( 0.000 -0.000 -0.298) 0.298 8.150 ( 0.000 -0.000 -0.298) 0.298 9.315 ( -0.000 0.000 0.215) 0.215 9.315 ( -0.000 0.000 0.215) 0.215 18.291 ( 0.000 -0.000 -0.085) 0.085 20.523 ( 0.000 -0.000 -0.253) 0.253 ======================= Grid point 1301 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 7.146 4.125 10.154) 13.084 1.026 ( 19.097 11.026 9.583) 24.044 1.050 ( 6.269 3.619 -9.815) 12.196 1.163 ( 15.403 8.893 -8.368) 19.656 1.715 ( 3.988 2.302 31.696) 32.028 2.162 ( 3.890 2.246 -28.110) 28.466 2.244 ( -0.994 -0.574 1.054) 1.558 2.378 ( 10.150 5.860 -1.012) 11.764 3.663 ( -1.759 -1.016 0.056) 2.032 3.682 ( -0.015 -0.009 -0.100) 0.101 4.174 ( -6.057 -3.497 1.214) 7.098 5.106 ( -13.554 -7.825 1.047) 15.685 8.131 ( -1.748 -1.009 -0.576) 2.099 8.388 ( 18.613 10.746 0.656) 21.503 9.297 ( -1.554 -0.897 0.406) 1.840 9.605 ( 21.813 12.594 -4.537) 25.593 18.199 ( -7.374 -4.258 -0.096) 8.516 20.316 ( -16.444 -9.494 1.898) 19.082 ======================= Grid point 1302 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 8.603 4.967 8.155) 12.852 1.215 ( 10.464 6.042 -8.917) 15.017 1.336 ( 4.235 2.445 11.637) 12.623 1.481 ( 12.576 7.261 -5.740) 15.615 1.987 ( 15.740 9.087 8.063) 19.883 2.220 ( -1.313 -0.758 1.446) 2.096 2.297 ( 13.616 7.861 -10.887) 19.124 2.662 ( 15.183 8.766 -4.046) 17.993 3.598 ( -4.125 -2.381 0.227) 4.768 3.680 ( -0.120 -0.069 -0.253) 0.288 4.047 ( -4.779 -2.759 1.055) 5.619 4.778 ( -15.158 -8.751 1.740) 17.589 8.072 ( -3.287 -1.898 -0.754) 3.870 8.845 ( 20.290 11.714 1.431) 23.472 9.250 ( -2.727 -1.574 0.537) 3.194 10.075 ( 19.126 11.042 -3.674) 22.388 18.011 ( -8.660 -5.000 -0.157) 10.000 19.912 ( -18.684 -10.787 1.546) 21.630 ======================= Grid point 1316 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 9.656 0.211) 9.658 1.004 ( 0.000 5.615 0.223) 5.620 1.024 ( -0.000 21.752 9.486) 23.731 1.169 ( 0.000 18.629 -9.342) 20.840 1.787 ( -0.000 3.495 21.662) 21.942 2.097 ( 0.000 4.990 -19.369) 20.002 2.249 ( 0.000 -0.903 -0.428) 1.000 2.371 ( -0.000 10.976 0.993) 11.021 3.664 ( 0.000 -1.993 -0.204) 2.004 3.681 ( -0.000 -0.074 0.184) 0.198 4.177 ( -0.000 -6.929 0.431) 6.942 5.109 ( -0.000 -15.234 0.267) 15.236 8.127 ( -0.000 -2.155 0.319) 2.178 8.390 ( 0.000 21.633 0.084) 21.633 9.300 ( 0.000 -1.699 -0.216) 1.712 9.596 ( 0.000 24.671 -2.127) 24.763 18.199 ( -0.000 -8.523 -0.060) 8.523 20.320 ( -0.000 -18.718 0.884) 18.738 ======================= Grid point 1317 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 7.982 13.826 0.000) 15.965 1.119 ( 5.081 8.800 -0.000) 10.162 1.311 ( 6.181 10.706 -0.000) 12.362 1.383 ( 7.547 13.073 -0.000) 15.095 1.911 ( 6.129 10.615 0.000) 12.257 2.186 ( 4.240 7.343 -0.000) 8.479 2.258 ( 2.107 3.650 -0.000) 4.214 2.550 ( 6.990 12.107 -0.000) 13.980 3.617 ( -2.205 -3.819 -0.000) 4.410 3.687 ( 0.379 0.657 -0.000) 0.759 4.079 ( -3.238 -5.608 -0.000) 6.475 4.871 ( -8.818 -15.273 -0.000) 17.635 8.094 ( -1.411 -2.443 -0.000) 2.821 8.719 ( 11.859 20.541 -0.000) 23.718 9.270 ( -1.207 -2.091 -0.000) 2.414 9.948 ( 12.007 20.796 -0.000) 24.014 18.063 ( -5.095 -8.825 -0.000) 10.190 20.026 ( -10.992 -19.039 -0.000) 21.985 ======================= Grid point 1527 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.36e-05 3.36e-05 2.11e-04 1.56e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.000 -0.000 -0.000) 0.000 0.754 ( 0.000 -0.000 -0.000) 0.000 0.947 ( -0.000 0.000 0.000) 0.000 0.947 ( -0.000 0.000 0.000) 0.000 1.803 ( 0.000 -0.000 -0.000) 0.000 2.020 ( -0.000 0.000 0.000) 0.000 2.258 ( -0.000 0.000 0.000) 0.000 2.258 ( -0.000 0.000 0.000) 0.000 3.682 ( -0.000 0.000 0.000) 0.000 3.682 ( -0.000 0.000 0.000) 0.000 4.259 ( -0.000 0.000 0.000) 0.000 5.277 ( -0.000 0.000 0.000) 0.000 8.149 ( -0.000 0.000 0.000) 0.000 8.149 ( -0.000 0.000 0.000) 0.000 9.316 ( -0.000 0.000 0.000) 0.000 9.316 ( -0.000 0.000 0.000) 0.000 18.291 ( -0.000 0.000 0.000) 0.000 20.522 ( -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 3/49392 10.0 104.644 104.644 72.059 0.000 -0.000 0.000 3/49392 20.0 51.978 51.978 25.688 0.000 -0.000 0.000 3/49392 30.0 32.079 32.079 15.082 0.000 -0.000 0.000 3/49392 40.0 23.188 23.188 10.772 0.000 -0.000 0.000 3/49392 50.0 18.230 18.230 8.466 0.000 -0.000 0.000 3/49392 60.0 15.068 15.068 7.018 0.000 -0.000 0.000 3/49392 70.0 12.872 12.872 6.014 0.000 -0.000 0.000 3/49392 80.0 11.252 11.252 5.275 0.000 -0.000 0.000 3/49392 90.0 10.005 10.005 4.704 0.000 -0.000 0.000 3/49392 100.0 9.010 9.010 4.250 0.000 -0.000 0.000 3/49392 110.0 8.197 8.197 3.879 0.000 -0.000 0.000 3/49392 120.0 7.517 7.517 3.569 0.000 -0.000 0.000 3/49392 130.0 6.941 6.941 3.306 0.000 -0.000 0.000 3/49392 140.0 6.446 6.446 3.079 0.000 -0.000 0.000 3/49392 150.0 6.016 6.016 2.882 0.000 -0.000 0.000 3/49392 160.0 5.639 5.639 2.708 0.000 -0.000 0.000 3/49392 170.0 5.306 5.306 2.554 0.000 -0.000 0.000 3/49392 180.0 5.011 5.011 2.417 0.000 -0.000 0.000 3/49392 190.0 4.746 4.746 2.294 0.000 -0.000 0.000 3/49392 200.0 4.507 4.507 2.182 0.000 -0.000 0.000 3/49392 210.0 4.292 4.292 2.081 0.000 -0.000 0.000 3/49392 220.0 4.096 4.096 1.989 0.000 -0.000 0.000 3/49392 230.0 3.917 3.917 1.904 0.000 -0.000 0.000 3/49392 240.0 3.753 3.753 1.827 0.000 -0.000 0.000 3/49392 250.0 3.602 3.602 1.755 0.000 -0.000 0.000 3/49392 260.0 3.463 3.463 1.689 0.000 -0.000 0.000 3/49392 270.0 3.335 3.335 1.627 0.000 -0.000 0.000 3/49392 280.0 3.215 3.215 1.570 0.000 -0.000 0.000 3/49392 290.0 3.104 3.104 1.517 0.000 -0.000 0.000 3/49392 300.0 3.000 3.000 1.467 0.000 -0.000 0.000 3/49392 310.0 2.903 2.903 1.421 0.000 -0.000 0.000 3/49392 320.0 2.813 2.813 1.377 0.000 -0.000 0.000 3/49392 330.0 2.727 2.727 1.336 0.000 -0.000 0.000 3/49392 340.0 2.647 2.647 1.297 0.000 -0.000 0.000 3/49392 350.0 2.571 2.571 1.260 0.000 -0.000 0.000 3/49392 360.0 2.500 2.500 1.226 0.000 -0.000 0.000 3/49392 370.0 2.432 2.432 1.193 0.000 -0.000 0.000 3/49392 380.0 2.368 2.368 1.162 0.000 -0.000 0.000 3/49392 390.0 2.307 2.307 1.132 0.000 -0.000 0.000 3/49392 400.0 2.250 2.250 1.104 0.000 -0.000 0.000 3/49392 410.0 2.195 2.195 1.078 0.000 -0.000 0.000 3/49392 420.0 2.143 2.143 1.052 0.000 -0.000 0.000 3/49392 430.0 2.093 2.093 1.028 0.000 -0.000 0.000 3/49392 440.0 2.045 2.045 1.005 0.000 -0.000 0.000 3/49392 450.0 2.000 2.000 0.983 0.000 -0.000 0.000 3/49392 460.0 1.956 1.956 0.962 0.000 -0.000 0.000 3/49392 470.0 1.915 1.915 0.941 0.000 -0.000 0.000 3/49392 480.0 1.875 1.875 0.922 0.000 -0.000 0.000 3/49392 490.0 1.837 1.837 0.903 0.000 -0.000 0.000 3/49392 500.0 1.800 1.800 0.885 0.000 -0.000 0.000 3/49392 510.0 1.765 1.765 0.868 0.000 -0.000 0.000 3/49392 520.0 1.731 1.731 0.851 0.000 -0.000 0.000 3/49392 530.0 1.698 1.698 0.835 0.000 -0.000 0.000 3/49392 540.0 1.667 1.667 0.820 0.000 -0.000 0.000 3/49392 550.0 1.637 1.637 0.805 0.000 -0.000 0.000 3/49392 560.0 1.607 1.607 0.791 0.000 -0.000 0.000 3/49392 570.0 1.579 1.579 0.777 0.000 -0.000 0.000 3/49392 580.0 1.552 1.552 0.764 0.000 -0.000 0.000 3/49392 590.0 1.526 1.526 0.751 0.000 -0.000 0.000 3/49392 600.0 1.500 1.500 0.739 0.000 -0.000 0.000 3/49392 610.0 1.476 1.476 0.727 0.000 -0.000 0.000 3/49392 620.0 1.452 1.452 0.715 0.000 -0.000 0.000 3/49392 630.0 1.429 1.429 0.704 0.000 -0.000 0.000 3/49392 640.0 1.407 1.407 0.693 0.000 -0.000 0.000 3/49392 650.0 1.385 1.385 0.682 0.000 -0.000 0.000 3/49392 660.0 1.364 1.364 0.672 0.000 -0.000 0.000 3/49392 670.0 1.344 1.344 0.662 0.000 -0.000 0.000 3/49392 680.0 1.324 1.324 0.652 0.000 -0.000 0.000 3/49392 690.0 1.305 1.305 0.643 0.000 -0.000 0.000 3/49392 700.0 1.286 1.286 0.634 0.000 -0.000 0.000 3/49392 710.0 1.268 1.268 0.625 0.000 -0.000 0.000 3/49392 720.0 1.251 1.251 0.616 0.000 -0.000 0.000 3/49392 730.0 1.233 1.233 0.608 0.000 -0.000 0.000 3/49392 740.0 1.217 1.217 0.599 0.000 -0.000 0.000 3/49392 750.0 1.201 1.201 0.592 0.000 -0.000 0.000 3/49392 760.0 1.185 1.185 0.584 0.000 -0.000 0.000 3/49392 770.0 1.169 1.169 0.576 0.000 -0.000 0.000 3/49392 780.0 1.155 1.155 0.569 0.000 -0.000 0.000 3/49392 790.0 1.140 1.140 0.562 0.000 -0.000 0.000 3/49392 800.0 1.126 1.126 0.555 0.000 -0.000 0.000 3/49392 810.0 1.112 1.112 0.548 0.000 -0.000 0.000 3/49392 820.0 1.098 1.098 0.541 0.000 -0.000 0.000 3/49392 830.0 1.085 1.085 0.535 0.000 -0.000 0.000 3/49392 840.0 1.072 1.072 0.528 0.000 -0.000 0.000 3/49392 850.0 1.060 1.060 0.522 0.000 -0.000 0.000 3/49392 860.0 1.047 1.047 0.516 0.000 -0.000 0.000 3/49392 870.0 1.035 1.035 0.510 0.000 -0.000 0.000 3/49392 880.0 1.024 1.024 0.504 0.000 -0.000 0.000 3/49392 890.0 1.012 1.012 0.499 0.000 -0.000 0.000 3/49392 900.0 1.001 1.001 0.493 0.000 -0.000 0.000 3/49392 910.0 0.990 0.990 0.488 0.000 -0.000 0.000 3/49392 920.0 0.979 0.979 0.483 0.000 -0.000 0.000 3/49392 930.0 0.969 0.969 0.477 0.000 -0.000 0.000 3/49392 940.0 0.958 0.958 0.472 0.000 -0.000 0.000 3/49392 950.0 0.948 0.948 0.467 0.000 -0.000 0.000 3/49392 960.0 0.938 0.938 0.463 0.000 -0.000 0.000 3/49392 970.0 0.929 0.929 0.458 0.000 -0.000 0.000 3/49392 980.0 0.919 0.919 0.453 0.000 -0.000 0.000 3/49392 990.0 0.910 0.910 0.449 0.000 -0.000 0.000 3/49392 1000.0 0.901 0.901 0.444 0.000 -0.000 0.000 3/49392 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:54:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|