----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:32:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) Number of symmetry operations in supercell: 192 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.469632400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.469632400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.006157190000000 Atomic positions (fractional): *1 H 0.19555623762439 0.19555623762439 0.00000000000000 1.008 2 H 0.30444376237561 0.69555623762439 0.50000000000000 1.008 3 H 0.80444376237561 0.80444376237561 0.00000000000000 1.008 4 H 0.69555623762439 0.30444376237561 0.50000000000000 1.008 *5 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 6 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.469632400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.469632400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.006157190000000 Atomic positions (fractional): *1 H 0.19555623762439 0.19555623762439 0.00000000000000 1.008 > 1 2 H 0.30444376237561 0.69555623762439 0.50000000000000 1.008 > 2 3 H 0.80444376237561 0.80444376237561 0.00000000000000 1.008 > 3 4 H 0.69555623762439 0.30444376237561 0.50000000000000 1.008 > 4 *5 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 5 6 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.939264800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.939264800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.018471570000001 Atomic positions (fractional): *1 H 0.09777811881220 0.09777811881220 0.00000000000000 1.008 > 1 2 H 0.59777811881220 0.09777811881220 0.00000000000000 1.008 > 1 3 H 0.09777811881220 0.59777811881220 0.00000000000000 1.008 > 1 4 H 0.59777811881220 0.59777811881220 0.00000000000000 1.008 > 1 5 H 0.09777811881220 0.09777811881220 0.33333333333333 1.008 > 1 6 H 0.59777811881220 0.09777811881220 0.33333333333333 1.008 > 1 7 H 0.09777811881220 0.59777811881220 0.33333333333333 1.008 > 1 8 H 0.59777811881220 0.59777811881220 0.33333333333333 1.008 > 1 9 H 0.09777811881220 0.09777811881220 0.66666666666667 1.008 > 1 10 H 0.59777811881220 0.09777811881220 0.66666666666667 1.008 > 1 11 H 0.09777811881220 0.59777811881220 0.66666666666667 1.008 > 1 12 H 0.59777811881220 0.59777811881220 0.66666666666667 1.008 > 1 13 H 0.15222188118780 0.34777811881220 0.16666666666667 1.008 > 2 14 H 0.65222188118780 0.34777811881220 0.16666666666667 1.008 > 2 15 H 0.15222188118780 0.84777811881220 0.16666666666667 1.008 > 2 16 H 0.65222188118780 0.84777811881220 0.16666666666667 1.008 > 2 17 H 0.15222188118780 0.34777811881220 0.50000000000000 1.008 > 2 18 H 0.65222188118780 0.34777811881220 0.50000000000000 1.008 > 2 19 H 0.15222188118780 0.84777811881220 0.50000000000000 1.008 > 2 20 H 0.65222188118780 0.84777811881220 0.50000000000000 1.008 > 2 21 H 0.15222188118780 0.34777811881220 0.83333333333333 1.008 > 2 22 H 0.65222188118780 0.34777811881220 0.83333333333333 1.008 > 2 23 H 0.15222188118780 0.84777811881220 0.83333333333333 1.008 > 2 24 H 0.65222188118780 0.84777811881220 0.83333333333333 1.008 > 2 25 H 0.40222188118780 0.40222188118780 0.00000000000000 1.008 > 3 26 H 0.90222188118780 0.40222188118780 0.00000000000000 1.008 > 3 27 H 0.40222188118780 0.90222188118780 0.00000000000000 1.008 > 3 28 H 0.90222188118780 0.90222188118780 0.00000000000000 1.008 > 3 29 H 0.40222188118780 0.40222188118780 0.33333333333333 1.008 > 3 30 H 0.90222188118780 0.40222188118780 0.33333333333333 1.008 > 3 31 H 0.40222188118780 0.90222188118780 0.33333333333333 1.008 > 3 32 H 0.90222188118780 0.90222188118780 0.33333333333333 1.008 > 3 33 H 0.40222188118780 0.40222188118780 0.66666666666667 1.008 > 3 34 H 0.90222188118780 0.40222188118780 0.66666666666667 1.008 > 3 35 H 0.40222188118780 0.90222188118780 0.66666666666667 1.008 > 3 36 H 0.90222188118780 0.90222188118780 0.66666666666667 1.008 > 3 37 H 0.34777811881220 0.15222188118780 0.16666666666667 1.008 > 4 38 H 0.84777811881220 0.15222188118780 0.16666666666667 1.008 > 4 39 H 0.34777811881220 0.65222188118780 0.16666666666667 1.008 > 4 40 H 0.84777811881220 0.65222188118780 0.16666666666667 1.008 > 4 41 H 0.34777811881220 0.15222188118780 0.50000000000000 1.008 > 4 42 H 0.84777811881220 0.15222188118780 0.50000000000000 1.008 > 4 43 H 0.34777811881220 0.65222188118780 0.50000000000000 1.008 > 4 44 H 0.84777811881220 0.65222188118780 0.50000000000000 1.008 > 4 45 H 0.34777811881220 0.15222188118780 0.83333333333333 1.008 > 4 46 H 0.84777811881220 0.15222188118780 0.83333333333333 1.008 > 4 47 H 0.34777811881220 0.65222188118780 0.83333333333333 1.008 > 4 48 H 0.84777811881220 0.65222188118780 0.83333333333333 1.008 > 4 *49 Mg 0.00000000000000 0.00000000000000 0.16666666666667 24.305 > 5 50 Mg 0.50000000000000 0.00000000000000 0.16666666666667 24.305 > 5 51 Mg 0.00000000000000 0.50000000000000 0.16666666666667 24.305 > 5 52 Mg 0.50000000000000 0.50000000000000 0.16666666666667 24.305 > 5 53 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 5 54 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 5 55 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 5 56 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 5 57 Mg 0.00000000000000 0.00000000000000 0.83333333333333 24.305 > 5 58 Mg 0.50000000000000 0.00000000000000 0.83333333333333 24.305 > 5 59 Mg 0.00000000000000 0.50000000000000 0.83333333333333 24.305 > 5 60 Mg 0.50000000000000 0.50000000000000 0.83333333333333 24.305 > 5 61 Mg 0.25000000000000 0.25000000000000 0.00000000000000 24.305 > 6 62 Mg 0.75000000000000 0.25000000000000 0.00000000000000 24.305 > 6 63 Mg 0.25000000000000 0.75000000000000 0.00000000000000 24.305 > 6 64 Mg 0.75000000000000 0.75000000000000 0.00000000000000 24.305 > 6 65 Mg 0.25000000000000 0.25000000000000 0.33333333333333 24.305 > 6 66 Mg 0.75000000000000 0.25000000000000 0.33333333333333 24.305 > 6 67 Mg 0.25000000000000 0.75000000000000 0.33333333333333 24.305 > 6 68 Mg 0.75000000000000 0.75000000000000 0.33333333333333 24.305 > 6 69 Mg 0.25000000000000 0.25000000000000 0.66666666666667 24.305 > 6 70 Mg 0.75000000000000 0.25000000000000 0.66666666666667 24.305 > 6 71 Mg 0.25000000000000 0.75000000000000 0.66666666666667 24.305 > 6 72 Mg 0.75000000000000 0.75000000000000 0.66666666666667 24.305 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1817591 0.0000000 0.0000000 0.0000000 4.1817591 0.0000000 0.0000000 0.0000000 4.2110390 -------------------------- Born effective charges -------------------------- 1 H -0.9240544 -0.2151537 0.0000000 -0.2151537 -0.9240544 0.0000000 0.0000000 0.0000000 -0.9730146 2 H -0.9240544 0.2151537 0.0000000 0.2151537 -0.9240544 0.0000000 0.0000000 0.0000000 -0.9730146 3 H -0.9240544 -0.2151537 0.0000000 -0.2151537 -0.9240544 0.0000000 0.0000000 0.0000000 -0.9730146 4 H -0.9240544 0.2151537 0.0000000 0.2151537 -0.9240544 0.0000000 0.0000000 0.0000000 -0.9730146 5 Mg 1.8481087 -0.1174621 0.0000000 -0.1174621 1.8481087 0.0000000 0.0000000 0.0000000 1.9460292 6 Mg 1.8481087 0.1174621 0.0000000 0.1174621 1.8481087 0.0000000 0.0000000 0.0000000 1.9460292 ---------------------------------------------------------------------------- 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: 2232/2232 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 164 Number of blocks in projector: 164 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 50 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 44 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 36 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 34 Use standard eigh solver. Tree of FC basis block matrices: - (164, 158), data: False |-- (34, 34), data: True |-- (36, 34), data: True |-- (44, 42), data: True |-- (50, 48), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 80 / 80 - Time: 0.035 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.038 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 216/216 Permutation basis: 2232/2232 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 164 Number of blocks in projector: 164 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 50 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 44 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 36 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 34 Use standard eigh solver. Tree of FC basis block matrices: - (164, 158), data: False |-- (34, 34), data: True |-- (36, 34), data: True |-- (44, 42), data: True |-- (50, 48), 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 05:32:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:32:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.469632400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.469632400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.006157190000000 Atomic positions (fractional): 1 H 0.19555623762439 0.19555623762439 0.00000000000000 1.008 2 H 0.30444376237561 0.69555623762439 0.50000000000000 1.008 3 H 0.80444376237561 0.80444376237561 0.00000000000000 1.008 4 H 0.69555623762439 0.30444376237561 0.50000000000000 1.008 5 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 6 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.939264800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.939264800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.018471570000001 Atomic positions (fractional): 1 H 0.09777811881220 0.09777811881220 0.00000000000000 1.008 > 1 2 H 0.59777811881220 0.09777811881220 0.00000000000000 1.008 > 1 3 H 0.09777811881220 0.59777811881220 0.00000000000000 1.008 > 1 4 H 0.59777811881220 0.59777811881220 0.00000000000000 1.008 > 1 5 H 0.09777811881220 0.09777811881220 0.33333333333333 1.008 > 1 6 H 0.59777811881220 0.09777811881220 0.33333333333333 1.008 > 1 7 H 0.09777811881220 0.59777811881220 0.33333333333333 1.008 > 1 8 H 0.59777811881220 0.59777811881220 0.33333333333333 1.008 > 1 9 H 0.09777811881220 0.09777811881220 0.66666666666667 1.008 > 1 10 H 0.59777811881220 0.09777811881220 0.66666666666667 1.008 > 1 11 H 0.09777811881220 0.59777811881220 0.66666666666667 1.008 > 1 12 H 0.59777811881220 0.59777811881220 0.66666666666667 1.008 > 1 13 H 0.15222188118780 0.34777811881220 0.16666666666667 1.008 > 13 14 H 0.65222188118780 0.34777811881220 0.16666666666667 1.008 > 13 15 H 0.15222188118780 0.84777811881220 0.16666666666667 1.008 > 13 16 H 0.65222188118780 0.84777811881220 0.16666666666667 1.008 > 13 17 H 0.15222188118780 0.34777811881220 0.50000000000000 1.008 > 13 18 H 0.65222188118780 0.34777811881220 0.50000000000000 1.008 > 13 19 H 0.15222188118780 0.84777811881220 0.50000000000000 1.008 > 13 20 H 0.65222188118780 0.84777811881220 0.50000000000000 1.008 > 13 21 H 0.15222188118780 0.34777811881220 0.83333333333333 1.008 > 13 22 H 0.65222188118780 0.34777811881220 0.83333333333333 1.008 > 13 23 H 0.15222188118780 0.84777811881220 0.83333333333333 1.008 > 13 24 H 0.65222188118780 0.84777811881220 0.83333333333333 1.008 > 13 25 H 0.40222188118780 0.40222188118780 0.00000000000000 1.008 > 25 26 H 0.90222188118780 0.40222188118780 0.00000000000000 1.008 > 25 27 H 0.40222188118780 0.90222188118780 0.00000000000000 1.008 > 25 28 H 0.90222188118780 0.90222188118780 0.00000000000000 1.008 > 25 29 H 0.40222188118780 0.40222188118780 0.33333333333333 1.008 > 25 30 H 0.90222188118780 0.40222188118780 0.33333333333333 1.008 > 25 31 H 0.40222188118780 0.90222188118780 0.33333333333333 1.008 > 25 32 H 0.90222188118780 0.90222188118780 0.33333333333333 1.008 > 25 33 H 0.40222188118780 0.40222188118780 0.66666666666667 1.008 > 25 34 H 0.90222188118780 0.40222188118780 0.66666666666667 1.008 > 25 35 H 0.40222188118780 0.90222188118780 0.66666666666667 1.008 > 25 36 H 0.90222188118780 0.90222188118780 0.66666666666667 1.008 > 25 37 H 0.34777811881220 0.15222188118780 0.16666666666667 1.008 > 37 38 H 0.84777811881220 0.15222188118780 0.16666666666667 1.008 > 37 39 H 0.34777811881220 0.65222188118780 0.16666666666667 1.008 > 37 40 H 0.84777811881220 0.65222188118780 0.16666666666667 1.008 > 37 41 H 0.34777811881220 0.15222188118780 0.50000000000000 1.008 > 37 42 H 0.84777811881220 0.15222188118780 0.50000000000000 1.008 > 37 43 H 0.34777811881220 0.65222188118780 0.50000000000000 1.008 > 37 44 H 0.84777811881220 0.65222188118780 0.50000000000000 1.008 > 37 45 H 0.34777811881220 0.15222188118780 0.83333333333333 1.008 > 37 46 H 0.84777811881220 0.15222188118780 0.83333333333333 1.008 > 37 47 H 0.34777811881220 0.65222188118780 0.83333333333333 1.008 > 37 48 H 0.84777811881220 0.65222188118780 0.83333333333333 1.008 > 37 49 Mg 0.00000000000000 0.00000000000000 0.16666666666667 24.305 > 49 50 Mg 0.50000000000000 0.00000000000000 0.16666666666667 24.305 > 49 51 Mg 0.00000000000000 0.50000000000000 0.16666666666667 24.305 > 49 52 Mg 0.50000000000000 0.50000000000000 0.16666666666667 24.305 > 49 53 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 49 54 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 49 55 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 49 56 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 49 57 Mg 0.00000000000000 0.00000000000000 0.83333333333333 24.305 > 49 58 Mg 0.50000000000000 0.00000000000000 0.83333333333333 24.305 > 49 59 Mg 0.00000000000000 0.50000000000000 0.83333333333333 24.305 > 49 60 Mg 0.50000000000000 0.50000000000000 0.83333333333333 24.305 > 49 61 Mg 0.25000000000000 0.25000000000000 0.00000000000000 24.305 > 61 62 Mg 0.75000000000000 0.25000000000000 0.00000000000000 24.305 > 61 63 Mg 0.25000000000000 0.75000000000000 0.00000000000000 24.305 > 61 64 Mg 0.75000000000000 0.75000000000000 0.00000000000000 24.305 > 61 65 Mg 0.25000000000000 0.25000000000000 0.33333333333333 24.305 > 61 66 Mg 0.75000000000000 0.25000000000000 0.33333333333333 24.305 > 61 67 Mg 0.25000000000000 0.75000000000000 0.33333333333333 24.305 > 61 68 Mg 0.75000000000000 0.75000000000000 0.33333333333333 24.305 > 61 69 Mg 0.25000000000000 0.25000000000000 0.66666666666667 24.305 > 61 70 Mg 0.75000000000000 0.25000000000000 0.66666666666667 24.305 > 61 71 Mg 0.25000000000000 0.75000000000000 0.66666666666667 24.305 > 61 72 Mg 0.75000000000000 0.75000000000000 0.66666666666667 24.305 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1817591 0.0000000 0.0000000 0.0000000 4.1817591 0.0000000 0.0000000 0.0000000 4.2110390 -------------------------- Born effective charges -------------------------- 1 H -0.9240544 -0.2151537 0.0000000 -0.2151537 -0.9240544 0.0000000 0.0000000 0.0000000 -0.9730146 2 H -0.9240544 0.2151537 0.0000000 0.2151537 -0.9240544 0.0000000 0.0000000 0.0000000 -0.9730146 3 H -0.9240544 -0.2151537 0.0000000 -0.2151537 -0.9240544 0.0000000 0.0000000 0.0000000 -0.9730146 4 H -0.9240544 0.2151537 0.0000000 0.2151537 -0.9240544 0.0000000 0.0000000 0.0000000 -0.9730146 5 Mg 1.8481087 -0.1174621 0.0000000 -0.1174621 1.8481087 0.0000000 0.0000000 0.0000000 1.9460292 6 Mg 1.8481087 0.1174621 0.0000000 0.1174621 1.8481087 0.0000000 0.0000000 0.0000000 1.9460292 ---------------------------------------------------------------------------- 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[ 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) 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 05:32:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:32:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.469632400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.469632400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.006157190000000 Atomic positions (fractional): 1 H 0.19555623762439 0.19555623762439 0.00000000000000 1.008 2 H 0.30444376237561 0.69555623762439 0.50000000000000 1.008 3 H 0.80444376237561 0.80444376237561 0.00000000000000 1.008 4 H 0.69555623762439 0.30444376237561 0.50000000000000 1.008 5 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 6 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.939264800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.939264800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.018471570000001 Atomic positions (fractional): 1 H 0.09777811881220 0.09777811881220 0.00000000000000 1.008 > 1 2 H 0.59777811881220 0.09777811881220 0.00000000000000 1.008 > 1 3 H 0.09777811881220 0.59777811881220 0.00000000000000 1.008 > 1 4 H 0.59777811881220 0.59777811881220 0.00000000000000 1.008 > 1 5 H 0.09777811881220 0.09777811881220 0.33333333333333 1.008 > 1 6 H 0.59777811881220 0.09777811881220 0.33333333333333 1.008 > 1 7 H 0.09777811881220 0.59777811881220 0.33333333333333 1.008 > 1 8 H 0.59777811881220 0.59777811881220 0.33333333333333 1.008 > 1 9 H 0.09777811881220 0.09777811881220 0.66666666666667 1.008 > 1 10 H 0.59777811881220 0.09777811881220 0.66666666666667 1.008 > 1 11 H 0.09777811881220 0.59777811881220 0.66666666666667 1.008 > 1 12 H 0.59777811881220 0.59777811881220 0.66666666666667 1.008 > 1 13 H 0.15222188118780 0.34777811881220 0.16666666666667 1.008 > 13 14 H 0.65222188118780 0.34777811881220 0.16666666666667 1.008 > 13 15 H 0.15222188118780 0.84777811881220 0.16666666666667 1.008 > 13 16 H 0.65222188118780 0.84777811881220 0.16666666666667 1.008 > 13 17 H 0.15222188118780 0.34777811881220 0.50000000000000 1.008 > 13 18 H 0.65222188118780 0.34777811881220 0.50000000000000 1.008 > 13 19 H 0.15222188118780 0.84777811881220 0.50000000000000 1.008 > 13 20 H 0.65222188118780 0.84777811881220 0.50000000000000 1.008 > 13 21 H 0.15222188118780 0.34777811881220 0.83333333333333 1.008 > 13 22 H 0.65222188118780 0.34777811881220 0.83333333333333 1.008 > 13 23 H 0.15222188118780 0.84777811881220 0.83333333333333 1.008 > 13 24 H 0.65222188118780 0.84777811881220 0.83333333333333 1.008 > 13 25 H 0.40222188118780 0.40222188118780 0.00000000000000 1.008 > 25 26 H 0.90222188118780 0.40222188118780 0.00000000000000 1.008 > 25 27 H 0.40222188118780 0.90222188118780 0.00000000000000 1.008 > 25 28 H 0.90222188118780 0.90222188118780 0.00000000000000 1.008 > 25 29 H 0.40222188118780 0.40222188118780 0.33333333333333 1.008 > 25 30 H 0.90222188118780 0.40222188118780 0.33333333333333 1.008 > 25 31 H 0.40222188118780 0.90222188118780 0.33333333333333 1.008 > 25 32 H 0.90222188118780 0.90222188118780 0.33333333333333 1.008 > 25 33 H 0.40222188118780 0.40222188118780 0.66666666666667 1.008 > 25 34 H 0.90222188118780 0.40222188118780 0.66666666666667 1.008 > 25 35 H 0.40222188118780 0.90222188118780 0.66666666666667 1.008 > 25 36 H 0.90222188118780 0.90222188118780 0.66666666666667 1.008 > 25 37 H 0.34777811881220 0.15222188118780 0.16666666666667 1.008 > 37 38 H 0.84777811881220 0.15222188118780 0.16666666666667 1.008 > 37 39 H 0.34777811881220 0.65222188118780 0.16666666666667 1.008 > 37 40 H 0.84777811881220 0.65222188118780 0.16666666666667 1.008 > 37 41 H 0.34777811881220 0.15222188118780 0.50000000000000 1.008 > 37 42 H 0.84777811881220 0.15222188118780 0.50000000000000 1.008 > 37 43 H 0.34777811881220 0.65222188118780 0.50000000000000 1.008 > 37 44 H 0.84777811881220 0.65222188118780 0.50000000000000 1.008 > 37 45 H 0.34777811881220 0.15222188118780 0.83333333333333 1.008 > 37 46 H 0.84777811881220 0.15222188118780 0.83333333333333 1.008 > 37 47 H 0.34777811881220 0.65222188118780 0.83333333333333 1.008 > 37 48 H 0.84777811881220 0.65222188118780 0.83333333333333 1.008 > 37 49 Mg 0.00000000000000 0.00000000000000 0.16666666666667 24.305 > 49 50 Mg 0.50000000000000 0.00000000000000 0.16666666666667 24.305 > 49 51 Mg 0.00000000000000 0.50000000000000 0.16666666666667 24.305 > 49 52 Mg 0.50000000000000 0.50000000000000 0.16666666666667 24.305 > 49 53 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 49 54 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 49 55 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 49 56 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 49 57 Mg 0.00000000000000 0.00000000000000 0.83333333333333 24.305 > 49 58 Mg 0.50000000000000 0.00000000000000 0.83333333333333 24.305 > 49 59 Mg 0.00000000000000 0.50000000000000 0.83333333333333 24.305 > 49 60 Mg 0.50000000000000 0.50000000000000 0.83333333333333 24.305 > 49 61 Mg 0.25000000000000 0.25000000000000 0.00000000000000 24.305 > 61 62 Mg 0.75000000000000 0.25000000000000 0.00000000000000 24.305 > 61 63 Mg 0.25000000000000 0.75000000000000 0.00000000000000 24.305 > 61 64 Mg 0.75000000000000 0.75000000000000 0.00000000000000 24.305 > 61 65 Mg 0.25000000000000 0.25000000000000 0.33333333333333 24.305 > 61 66 Mg 0.75000000000000 0.25000000000000 0.33333333333333 24.305 > 61 67 Mg 0.25000000000000 0.75000000000000 0.33333333333333 24.305 > 61 68 Mg 0.75000000000000 0.75000000000000 0.33333333333333 24.305 > 61 69 Mg 0.25000000000000 0.25000000000000 0.66666666666667 24.305 > 61 70 Mg 0.75000000000000 0.25000000000000 0.66666666666667 24.305 > 61 71 Mg 0.25000000000000 0.75000000000000 0.66666666666667 24.305 > 61 72 Mg 0.75000000000000 0.75000000000000 0.66666666666667 24.305 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1817591 0.0000000 0.0000000 0.0000000 4.1817591 0.0000000 0.0000000 0.0000000 4.2110390 -------------------------- Born effective charges -------------------------- 1 H -0.9240544 -0.2151537 0.0000000 -0.2151537 -0.9240544 0.0000000 0.0000000 0.0000000 -0.9730146 2 H -0.9240544 0.2151537 0.0000000 0.2151537 -0.9240544 0.0000000 0.0000000 0.0000000 -0.9730146 3 H -0.9240544 -0.2151537 0.0000000 -0.2151537 -0.9240544 0.0000000 0.0000000 0.0000000 -0.9730146 4 H -0.9240544 0.2151537 0.0000000 0.2151537 -0.9240544 0.0000000 0.0000000 0.0000000 -0.9730146 5 Mg 1.8481087 -0.1174621 0.0000000 -0.1174621 1.8481087 0.0000000 0.0000000 0.0000000 1.9460292 6 Mg 1.8481087 0.1174621 0.0000000 0.1174621 1.8481087 0.0000000 0.0000000 0.0000000 1.9460292 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) 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 ... [ 11 11 17 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.06, Number of G-points: 315, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 189 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 5.447 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 8.982 ( 0.000 0.000 0.000) 0.000 8.982 ( 0.000 0.000 0.000) 0.000 14.616 ( 0.000 0.000 0.000) 0.000 14.616 ( 0.000 0.000 0.000) 0.000 22.105 ( 0.000 0.000 0.000) 0.000 26.674 ( 0.000 0.000 0.000) 0.000 29.928 ( 0.000 0.000 0.000) 0.000 29.928 ( 0.000 0.000 0.000) 0.000 33.902 ( 0.000 0.000 0.000) 0.000 36.609 ( 0.000 0.000 0.000) 0.000 36.609 ( 0.000 0.000 0.000) 0.000 39.665 ( 0.000 0.000 0.000) 0.000 44.427 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 48.285 0.000 0.000) 48.285 1.196 ( 58.352 0.000 0.000) 58.352 1.411 ( 68.656 0.000 0.000) 68.656 5.418 ( -2.843 0.000 0.000) 2.843 7.193 ( 20.978 0.000 0.000) 20.978 8.914 ( -6.679 0.000 0.000) 6.679 9.093 ( 6.127 0.000 0.000) 6.127 14.618 ( 0.001 0.000 0.000) 0.001 21.233 ( 0.893 0.000 0.000) 0.893 22.067 ( -3.692 0.000 0.000) 3.692 26.732 ( 5.718 0.000 0.000) 5.718 29.854 ( -7.144 0.000 0.000) 7.144 30.020 ( 8.992 0.000 0.000) 8.992 33.834 ( -6.653 0.000 0.000) 6.653 36.637 ( 2.825 0.000 0.000) 2.825 39.525 ( -13.114 0.000 0.000) 13.114 42.321 ( 11.116 0.000 0.000) 11.116 44.406 ( -2.038 0.000 0.000) 2.038 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 44.549 0.000 0.000) 44.549 2.365 ( 56.311 0.000 0.000) 56.311 2.779 ( 65.591 0.000 0.000) 65.591 5.329 ( -5.992 0.000 0.000) 5.992 7.553 ( 7.894 0.000 0.000) 7.894 8.707 ( -13.809 0.000 0.000) 13.809 9.455 ( 33.289 0.000 0.000) 33.289 14.598 ( -2.554 0.000 0.000) 2.554 21.259 ( 1.615 0.000 0.000) 1.615 21.960 ( -6.585 0.000 0.000) 6.585 26.905 ( 11.171 0.000 0.000) 11.171 29.642 ( -13.521 0.000 0.000) 13.521 30.287 ( 16.990 0.000 0.000) 16.990 33.632 ( -13.084 0.000 0.000) 13.084 36.726 ( 5.980 0.000 0.000) 5.980 39.173 ( -20.427 0.000 0.000) 20.427 42.613 ( 16.571 0.000 0.000) 16.571 44.343 ( -4.140 0.000 0.000) 4.140 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 39.024 0.000 0.000) 39.024 3.479 ( 53.124 0.000 0.000) 53.124 4.066 ( 60.684 0.000 0.000) 60.684 5.171 ( -9.726 0.000 0.000) 9.726 7.446 ( -16.220 0.000 0.000) 16.220 8.348 ( -21.582 0.000 0.000) 21.582 10.415 ( 56.871 0.000 0.000) 56.871 14.484 ( -9.516 0.000 0.000) 9.516 21.297 ( 2.168 0.000 0.000) 2.168 21.809 ( -7.935 0.000 0.000) 7.935 27.182 ( 16.019 0.000 0.000) 16.019 29.314 ( -18.512 0.000 0.000) 18.512 30.699 ( 23.175 0.000 0.000) 23.175 33.305 ( -18.961 0.000 0.000) 18.961 36.884 ( 9.594 0.000 0.000) 9.594 38.726 ( -22.929 0.000 0.000) 22.929 42.965 ( 17.547 0.000 0.000) 17.547 44.237 ( -6.375 0.000 0.000) 6.375 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.529 ( 32.535 0.000 0.000) 32.535 4.519 ( 48.946 0.000 0.000) 48.946 4.928 ( -14.257 0.000 0.000) 14.257 5.237 ( 54.237 0.000 0.000) 54.237 6.973 ( -29.089 0.000 0.000) 29.089 7.825 ( -29.882 0.000 0.000) 29.882 11.617 ( 58.711 0.000 0.000) 58.711 14.179 ( -21.176 0.000 0.000) 21.176 21.348 ( 2.826 0.000 0.000) 2.826 21.650 ( -7.457 0.000 0.000) 7.457 27.549 ( 19.855 0.000 0.000) 19.855 28.901 ( -21.716 0.000 0.000) 21.716 31.213 ( 27.008 0.000 0.000) 27.008 32.868 ( -23.815 0.000 0.000) 23.815 37.119 ( 13.503 0.000 0.000) 13.503 38.260 ( -22.601 0.000 0.000) 22.601 43.311 ( 16.258 0.000 0.000) 16.258 44.083 ( -8.791 0.000 0.000) 8.791 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.122 ( 25.882 0.000 0.000) 25.882 4.585 ( -19.675 0.000 0.000) 19.675 5.464 ( 43.779 0.000 0.000) 43.779 6.258 ( 31.741 0.000 0.000) 31.741 6.300 ( -22.492 0.000 0.000) 22.492 7.131 ( -38.380 0.000 0.000) 38.380 12.731 ( 49.620 0.000 0.000) 49.620 13.603 ( -35.700 0.000 0.000) 35.700 21.416 ( 3.993 0.000 0.000) 3.993 21.514 ( -5.764 0.000 0.000) 5.764 27.981 ( 22.277 0.000 0.000) 22.277 28.444 ( -22.961 0.000 0.000) 22.961 31.780 ( 28.280 0.000 0.000) 28.280 32.347 ( -27.095 0.000 0.000) 27.095 37.433 ( 17.312 0.000 0.000) 17.312 37.819 ( -20.520 0.000 0.000) 20.520 43.620 ( 13.977 0.000 0.000) 13.977 43.878 ( -11.373 0.000 0.000) 11.373 ======================= Grid point 12 (7/189) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 22.892 22.892 0.000) 32.374 1.396 ( 32.800 32.800 0.000) 46.387 2.392 ( 57.027 57.027 0.000) 80.648 5.390 ( -2.763 -2.763 0.000) 3.908 7.403 ( 18.177 18.177 0.000) 25.706 8.725 ( -15.802 -15.802 0.000) 22.347 9.263 ( 16.013 16.013 0.000) 22.645 14.715 ( 4.724 4.724 0.000) 6.681 21.159 ( -3.094 -3.094 0.000) 4.376 22.027 ( -3.817 -3.817 0.000) 5.398 26.790 ( 5.700 5.700 0.000) 8.060 29.890 ( -1.850 -1.850 0.000) 2.616 30.002 ( 3.521 3.521 0.000) 4.980 33.765 ( -6.716 -6.716 0.000) 9.498 36.650 ( 1.847 1.847 0.000) 2.612 39.391 ( -12.516 -12.516 0.000) 17.700 42.406 ( 9.024 9.024 0.000) 12.762 44.429 ( -0.157 -0.157 0.000) 0.221 ======================= Grid point 13 (8/189) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 52.419 -20.252 0.000) 56.195 2.144 ( 38.413 18.130 0.000) 42.477 3.563 ( 57.210 48.758 0.000) 75.169 5.304 ( -5.816 -2.509 0.000) 6.334 7.696 ( 3.050 12.614 0.000) 12.978 8.404 ( -13.145 -24.566 0.000) 27.861 9.767 ( 35.864 26.567 0.000) 44.632 14.754 ( -0.949 12.288 0.000) 12.325 21.141 ( 0.784 -9.073 0.000) 9.107 21.917 ( -6.843 -4.201 0.000) 8.029 26.962 ( 11.148 5.657 0.000) 12.501 29.708 ( -13.333 5.805 0.000) 14.542 30.233 ( 16.486 -4.625 0.000) 17.123 33.562 ( -13.180 -6.874 0.000) 14.865 36.720 ( 5.041 -0.187 0.000) 5.044 39.053 ( -19.813 -11.400 0.000) 22.859 42.663 ( 15.235 5.432 0.000) 16.175 44.382 ( -4.166 2.202 0.000) 4.712 ======================= Grid point 14 (9/189) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 35.770 10.039 0.000) 37.152 2.948 ( 54.347 -31.051 0.000) 62.592 4.694 ( 53.553 41.142 0.000) 67.533 5.150 ( -9.415 -2.025 0.000) 9.630 7.423 ( -25.829 -5.513 0.000) 26.411 8.196 ( -10.869 -10.226 0.000) 14.923 10.717 ( 54.825 27.726 0.000) 61.438 14.662 ( -8.743 15.819 0.000) 18.074 21.176 ( 2.426 -10.724 0.000) 10.995 21.759 ( -8.359 -4.874 0.000) 9.676 27.240 ( 16.013 5.626 0.000) 16.973 29.380 ( -18.593 6.238 0.000) 19.611 30.638 ( 22.870 -5.759 0.000) 23.584 33.233 ( -19.046 -7.053 0.000) 20.310 36.857 ( 8.560 -2.272 0.000) 8.857 38.617 ( -22.395 -10.361 0.000) 24.676 42.993 ( 16.656 2.988 0.000) 16.922 44.267 ( -6.946 2.164 0.000) 7.275 ======================= Grid point 15 (10/189) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.583 ( 30.559 5.181 0.000) 30.995 4.031 ( 51.839 -33.126 0.000) 61.519 4.916 ( -13.747 -1.214 0.000) 13.800 5.726 ( 47.627 33.438 0.000) 58.193 6.777 ( -36.325 -18.864 0.000) 40.932 7.876 ( -20.972 5.153 0.000) 21.596 11.878 ( 56.888 24.631 0.000) 61.992 14.371 ( -20.496 17.823 0.000) 27.161 21.236 ( 3.538 -10.293 0.000) 10.884 21.589 ( -8.098 -5.907 0.000) 10.024 27.607 ( 19.889 5.646 0.000) 20.675 28.965 ( -21.846 6.129 0.000) 22.690 31.147 ( 26.767 -6.406 0.000) 27.523 32.795 ( -23.842 -7.157 0.000) 24.893 37.071 ( 12.465 -4.391 0.000) 13.216 38.162 ( -22.017 -9.312 0.000) 23.905 43.325 ( 15.753 1.434 0.000) 15.818 44.101 ( -9.358 1.358 0.000) 9.456 ======================= Grid point 16 (11/189) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.144 ( 24.624 2.085 0.000) 24.712 4.586 ( -18.867 0.077 0.000) 18.867 5.047 ( 47.813 -31.326 0.000) 57.161 5.969 ( -42.718 -26.765 0.000) 50.410 6.621 ( 39.982 25.466 0.000) 47.403 7.345 ( -31.046 16.268 0.000) 35.050 12.960 ( 48.334 21.784 0.000) 53.016 13.810 ( -34.810 19.609 0.000) 39.953 21.321 ( 4.892 -8.944 0.000) 10.195 21.438 ( -6.613 -7.327 0.000) 9.870 28.039 ( 22.359 5.747 0.000) 23.086 28.505 ( -23.082 5.924 0.000) 23.830 31.709 ( 28.119 -6.855 0.000) 28.943 32.274 ( -27.031 -7.105 0.000) 27.949 37.365 ( 16.390 -6.366 0.000) 17.583 37.734 ( -19.779 -8.021 0.000) 21.343 43.627 ( 13.877 0.685 0.000) 13.894 43.888 ( -11.665 0.714 0.000) 11.687 ======================= Grid point 24 (12/189) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 18.136 18.136 0.000) 25.649 2.618 ( 26.817 26.817 0.000) 37.925 4.570 ( 49.252 49.252 0.000) 69.653 5.226 ( -5.259 -5.259 0.000) 7.437 7.789 ( -29.745 -29.745 0.000) 42.066 7.993 ( 8.797 8.797 0.000) 12.440 10.472 ( 42.446 42.446 0.000) 60.028 14.976 ( 7.717 7.717 0.000) 10.914 20.983 ( -5.365 -5.365 0.000) 7.587 21.794 ( -7.626 -7.626 0.000) 10.785 27.133 ( 11.092 11.092 0.000) 15.687 29.780 ( -3.507 -3.507 0.000) 4.959 30.197 ( 5.783 5.783 0.000) 8.178 33.355 ( -13.416 -13.416 0.000) 18.974 36.736 ( 2.047 2.047 0.000) 2.895 38.740 ( -18.514 -18.514 0.000) 26.183 42.836 ( 11.132 11.132 0.000) 15.743 44.383 ( -2.477 -2.477 0.000) 3.503 ======================= Grid point 25 (13/189) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 40.932 -14.194 0.000) 43.323 3.184 ( 27.971 16.616 0.000) 32.534 5.087 ( -8.454 -4.232 0.000) 9.455 5.539 ( 45.453 40.796 0.000) 61.076 7.073 ( -38.243 -28.401 0.000) 47.636 8.122 ( 1.000 2.672 0.000) 2.853 11.459 ( 52.976 43.547 0.000) 68.577 15.029 ( -3.077 17.836 0.000) 18.099 20.931 ( -0.027 -11.758 0.000) 11.758 21.617 ( -9.564 -8.915 0.000) 13.075 27.410 ( 15.991 11.041 0.000) 19.432 29.542 ( -17.156 8.409 0.000) 19.106 30.491 ( 20.360 -7.384 0.000) 21.658 33.021 ( -19.228 -13.651 0.000) 23.581 36.810 ( 5.383 -1.909 0.000) 5.711 38.331 ( -21.077 -17.039 0.000) 27.103 43.092 ( 13.545 6.679 0.000) 15.102 44.285 ( -6.899 -1.142 0.000) 6.993 ======================= Grid point 26 (14/189) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( 47.589 -29.280 0.000) 55.875 3.730 ( 25.322 9.038 0.000) 26.886 4.878 ( -12.217 -2.579 0.000) 12.487 6.208 ( -32.389 -26.493 0.000) 41.844 6.444 ( 28.889 26.649 0.000) 39.304 8.020 ( -10.938 8.121 0.000) 13.623 12.555 ( 53.142 40.243 0.000) 66.660 14.832 ( -16.632 25.440 0.000) 30.394 20.971 ( 3.738 -14.620 0.000) 15.091 21.417 ( -9.753 -10.675 0.000) 14.460 27.777 ( 19.938 11.029 0.000) 22.785 29.140 ( -21.699 10.609 0.000) 24.154 30.965 ( 25.580 -10.941 0.000) 27.822 32.581 ( -23.829 -13.699 0.000) 27.486 36.960 ( 9.395 -5.981 0.000) 11.137 37.904 ( -20.406 -15.250 0.000) 25.475 43.372 ( 13.711 3.144 0.000) 14.067 44.113 ( -9.771 -0.748 0.000) 9.800 ======================= Grid point 27 (15/189) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.204 ( 21.100 3.663 0.000) 21.416 4.359 ( 48.234 -34.854 0.000) 59.509 4.586 ( -16.521 -0.059 0.000) 16.521 5.323 ( -46.263 -35.423 0.000) 58.267 7.142 ( 31.314 24.655 0.000) 39.855 7.684 ( -21.808 16.097 0.000) 27.106 13.562 ( 44.782 35.770 0.000) 57.314 14.343 ( -31.470 31.017 0.000) 44.186 21.076 ( 6.465 -14.453 0.000) 15.833 21.229 ( -8.535 -12.731 0.000) 15.327 28.211 ( 22.478 11.057 0.000) 25.051 28.679 ( -23.194 11.030 0.000) 25.683 31.509 ( 27.431 -12.549 0.000) 30.165 32.064 ( -26.716 -13.384 0.000) 29.881 37.195 ( 13.704 -9.731 0.000) 16.808 37.515 ( -17.646 -12.856 0.000) 21.833 43.644 ( 12.907 0.803 0.000) 12.932 43.894 ( -11.624 -0.369 0.000) 11.630 ======================= Grid point 36 (16/189) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 11.999 11.999 0.000) 16.969 3.553 ( 19.017 19.017 0.000) 26.895 4.976 ( -6.763 -6.763 0.000) 9.564 6.231 ( -1.773 -1.773 0.000) 2.507 6.467 ( -0.860 -0.860 0.000) 1.216 8.194 ( 2.302 2.302 0.000) 3.255 12.428 ( 50.280 50.280 0.000) 71.106 15.308 ( 8.152 8.152 0.000) 11.529 20.742 ( -6.195 -6.195 0.000) 8.761 21.408 ( -11.331 -11.331 0.000) 16.024 27.685 ( 15.930 15.930 0.000) 22.528 29.615 ( -4.386 -4.386 0.000) 6.203 30.445 ( 6.055 6.055 0.000) 8.562 32.684 ( -19.308 -19.308 0.000) 27.306 36.795 ( 0.719 0.719 0.000) 1.016 37.955 ( -19.249 -19.249 0.000) 27.222 43.255 ( 9.009 9.009 0.000) 12.740 44.213 ( -5.758 -5.758 0.000) 8.143 ======================= Grid point 37 (17/189) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 32.216 -15.567 0.000) 35.779 3.937 ( 18.345 10.949 0.000) 21.363 4.809 ( -9.666 -4.197 0.000) 10.537 5.477 ( -43.806 -39.865 0.000) 59.230 7.055 ( 30.507 28.515 0.000) 41.759 8.171 ( -5.042 6.005 0.000) 7.841 13.445 ( 48.317 45.583 0.000) 66.426 15.321 ( -7.470 20.656 0.000) 21.965 20.688 ( 0.813 -12.211 0.000) 12.238 21.169 ( -11.784 -13.333 0.000) 17.794 28.051 ( 19.840 15.764 0.000) 25.341 29.361 ( -18.288 9.689 0.000) 20.696 30.739 ( 20.663 -9.707 0.000) 22.829 32.246 ( -23.511 -19.004 0.000) 30.231 36.849 ( 4.785 -4.409 0.000) 6.507 37.571 ( -17.950 -16.787 0.000) 24.576 43.450 ( 9.999 4.402 0.000) 10.925 44.062 ( -8.806 -4.250 0.000) 9.778 ======================= Grid point 38 (18/189) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( 41.930 -31.279 0.000) 52.311 4.287 ( 15.943 4.426 0.000) 16.546 4.567 ( -45.001 -38.088 0.000) 58.956 4.581 ( -12.836 -0.550 0.000) 12.848 7.602 ( 22.882 20.244 0.000) 30.552 7.978 ( -14.015 12.387 0.000) 18.705 14.343 ( 38.981 39.258 0.000) 55.324 14.995 ( -24.439 31.175 0.000) 39.613 20.767 ( 6.604 -15.119 0.000) 16.498 20.942 ( -10.246 -14.991 0.000) 18.158 28.482 ( 22.205 15.308 0.000) 26.971 28.939 ( -22.269 13.987 0.000) 26.297 31.217 ( 25.309 -15.523 0.000) 29.690 31.741 ( -25.726 -17.952 0.000) 31.371 36.995 ( 9.620 -9.286 0.000) 13.371 37.240 ( -14.359 -13.479 0.000) 19.694 43.657 ( 10.342 0.538 0.000) 10.356 43.867 ( -10.118 -2.291 0.000) 10.374 ======================= Grid point 48 (19/189) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 6.126 6.126 0.000) 8.664 4.163 ( 11.054 11.054 0.000) 15.633 4.637 ( -41.814 -41.814 0.000) 59.133 4.705 ( -6.073 -6.073 0.000) 8.589 7.575 ( 22.306 22.306 0.000) 31.545 8.240 ( 0.407 0.407 0.000) 0.575 14.347 ( 41.784 41.784 0.000) 59.092 15.606 ( 6.156 6.156 0.000) 8.705 20.507 ( -5.006 -5.006 0.000) 7.080 20.893 ( -13.395 -13.395 0.000) 18.944 28.410 ( 19.254 19.254 0.000) 27.229 29.444 ( -3.756 -3.756 0.000) 5.312 30.663 ( 4.431 4.431 0.000) 6.267 31.821 ( -22.410 -22.410 0.000) 31.692 36.796 ( -0.512 -0.512 0.000) 0.724 37.246 ( -14.681 -14.681 0.000) 20.761 43.549 ( 5.378 5.378 0.000) 7.606 43.948 ( -6.569 -6.569 0.000) 9.290 ======================= Grid point 49 (20/189) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 549 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( 26.383 -19.204 0.000) 32.632 3.814 ( -38.007 -34.701 0.000) 51.465 4.378 ( 9.896 4.337 0.000) 10.804 4.561 ( -8.075 -1.409 0.000) 8.197 7.954 ( 14.837 14.213 0.000) 20.546 8.176 ( -6.946 6.798 0.000) 9.719 15.092 ( 30.287 32.835 0.000) 44.670 15.539 ( -12.952 20.734 0.000) 24.447 20.495 ( 3.781 -10.717 0.000) 11.365 20.645 ( -10.374 -13.499 0.000) 17.025 28.819 ( 20.479 17.340 0.000) 26.835 29.213 ( -17.047 11.534 0.000) 20.582 30.917 ( 18.656 -12.471 0.000) 22.441 31.353 ( -23.012 -19.590 0.000) 30.221 36.838 ( 4.732 -5.789 0.000) 7.477 36.990 ( -10.217 -10.595 0.000) 14.719 43.669 ( 6.388 0.730 0.000) 6.429 43.807 ( -7.072 -3.344 0.000) 7.823 ======================= Grid point 60 (21/189) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 1.725 1.725 0.000) 2.439 3.214 ( -22.645 -22.645 0.000) 32.025 4.459 ( 3.592 3.592 0.000) 5.080 4.522 ( -2.507 -2.507 0.000) 3.546 8.173 ( 7.228 7.228 0.000) 10.222 8.246 ( 0.020 0.020 0.000) 0.028 15.621 ( 17.893 17.893 0.000) 25.304 15.783 ( 2.304 2.304 0.000) 3.259 20.361 ( -1.908 -1.908 0.000) 2.698 20.423 ( -7.604 -7.604 0.000) 10.754 29.154 ( 14.327 14.327 0.000) 20.261 29.332 ( -1.492 -1.492 0.000) 2.110 30.789 ( 1.606 1.606 0.000) 2.271 30.981 ( -15.628 -15.628 0.000) 22.101 36.772 ( -0.428 -0.428 0.000) 0.605 36.824 ( -5.495 -5.495 0.000) 7.772 43.693 ( 1.728 1.728 0.000) 2.444 43.741 ( -2.948 -2.948 0.000) 4.169 ======================= Grid point 121 (22/189) ======================= q-point: ( 0.00 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -0.000 -0.000 46.104) 46.104 0.926 ( -0.000 0.000 46.104) 46.104 1.877 ( 0.000 0.000 94.874) 94.874 5.719 ( -0.000 0.000 26.781) 26.781 7.222 ( 0.000 0.000 27.580) 27.580 8.916 ( 0.000 0.000 -6.634) 6.634 8.916 ( 0.000 0.000 -6.634) 6.634 14.692 ( -0.000 0.000 7.760) 7.760 14.692 ( 0.000 0.000 7.760) 7.760 22.026 ( 0.000 0.000 -8.011) 8.011 30.021 ( -0.000 0.000 9.381) 9.381 30.021 ( 0.000 0.000 9.381) 9.381 33.926 ( 0.000 0.000 2.534) 2.534 36.598 ( -0.000 -0.000 -1.123) 1.123 36.598 ( 0.000 0.000 -1.123) 1.123 37.676 ( 0.000 0.000 -4.720) 4.720 39.707 ( 0.000 0.000 4.189) 4.189 44.380 ( 0.000 0.000 -4.762) 4.762 ======================= Grid point 122 (23/189) ======================= q-point: ( 0.09 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 33.189 0.000 30.291) 44.933 1.489 ( 44.575 0.000 26.373) 51.793 2.374 ( 41.795 0.000 75.390) 86.200 5.690 ( -2.828 0.000 26.723) 26.872 7.421 ( 16.326 0.000 22.483) 27.785 8.853 ( -6.234 0.000 -6.145) 8.753 9.034 ( 10.417 0.000 -4.985) 11.548 14.691 ( -0.305 0.000 7.441) 7.448 17.366 ( 147.734 0.000 -144.539) 206.680 21.984 ( -4.063 0.000 -8.376) 9.309 29.953 ( -6.584 0.000 9.947) 11.929 30.017 ( -8.872 0.000 18.505) 20.521 31.350 (-174.746 0.000 185.209) 254.634 33.848 ( -7.610 0.000 1.477) 7.752 36.633 ( 3.468 0.000 -0.409) 3.492 39.555 ( -12.186 0.000 2.539) 12.448 41.140 ( 87.993 0.000 -77.757) 117.426 44.359 ( -2.045 0.000 -4.766) 5.186 ======================= Grid point 123 (24/189) ======================= q-point: ( 0.18 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 42.498 0.000 15.486) 45.232 2.485 ( 50.977 0.000 11.925) 52.353 3.356 ( 51.911 0.000 52.727) 73.992 5.602 ( -5.928 0.000 26.549) 27.203 7.652 ( 1.465 0.000 9.143) 9.260 8.660 ( -12.911 0.000 -4.671) 13.730 9.491 ( 37.412 0.000 4.548) 37.687 14.663 ( -3.084 0.000 6.567) 7.255 19.440 ( 65.196 0.000 -120.695) 137.178 21.866 ( -7.359 0.000 -9.492) 12.010 28.798 ( -57.497 0.000 123.971) 136.655 29.758 ( -12.476 0.000 11.556) 17.005 30.457 ( 11.097 0.000 20.516) 23.325 33.622 ( -14.387 0.000 -0.970) 14.419 36.738 ( 6.875 0.000 1.246) 6.987 39.216 ( -20.005 0.000 4.112) 20.423 42.218 ( 33.936 0.000 -35.045) 48.783 44.296 ( -4.178 0.000 -4.800) 6.363 ======================= Grid point 124 (25/189) ======================= q-point: ( 0.27 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 39.884 0.000 13.008) 41.952 3.516 ( 49.723 0.000 4.216) 49.902 4.423 ( 52.174 0.000 35.515) 63.114 5.447 ( -9.343 0.000 26.330) 27.939 7.462 ( -18.253 0.000 1.313) 18.301 8.324 ( -20.201 0.000 -2.176) 20.318 10.489 ( 56.871 0.000 7.836) 57.408 14.537 ( -10.102 0.000 5.395) 11.452 20.360 ( 30.635 0.000 -76.195) 82.123 21.695 ( -9.245 0.000 -11.492) 14.749 28.133 ( -13.693 0.000 77.624) 78.822 29.455 ( -17.016 0.000 14.048) 22.066 30.791 ( 20.214 0.000 9.302) 22.252 33.272 ( -19.873 0.000 -3.310) 20.147 36.913 ( 10.350 0.000 2.948) 10.762 38.775 ( -22.731 0.000 4.774) 23.227 42.779 ( 23.252 0.000 -17.863) 29.321 44.188 ( -6.488 0.000 -4.934) 8.151 ======================= Grid point 125 (26/189) ======================= q-point: ( 0.36 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( 33.667 0.000 14.966) 36.843 4.473 ( 42.202 0.000 -1.190) 42.219 5.235 ( -9.650 0.000 26.336) 28.048 5.452 ( 48.531 0.000 22.267) 53.395 6.970 ( -29.162 0.000 -0.221) 29.163 7.835 ( -27.927 0.000 1.470) 27.966 11.678 ( 57.795 0.000 6.330) 58.141 14.221 ( -21.574 0.000 4.356) 22.010 20.821 ( 16.751 0.000 -47.193) 50.078 21.500 ( -9.671 0.000 -14.806) 17.684 28.082 ( 6.141 0.000 47.964) 48.355 29.079 ( -19.562 0.000 17.512) 26.255 31.251 ( 24.555 0.000 3.678) 24.829 32.824 ( -23.864 0.000 -4.302) 24.249 37.160 ( 13.967 0.000 4.159) 14.573 38.311 ( -22.540 0.000 5.042) 23.097 43.201 ( 18.630 0.000 -10.867) 21.568 44.030 ( -9.057 0.000 -5.289) 10.488 ======================= Grid point 126 (27/189) ======================= q-point: ( 0.45 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.309 ( 26.326 0.000 17.134) 31.411 4.751 ( -15.336 0.000 15.237) 21.618 5.519 ( 37.663 0.000 5.477) 38.059 6.274 ( -23.413 0.000 -2.510) 23.547 6.409 ( 29.851 0.000 15.873) 33.809 7.188 ( -35.615 0.000 6.631) 36.227 12.775 ( 49.034 0.000 4.645) 49.254 13.641 ( -35.664 0.000 3.973) 35.885 21.096 ( 11.227 0.000 -30.177) 32.197 21.304 ( -9.684 0.000 -20.420) 22.600 28.314 ( 15.569 0.000 31.635) 35.258 28.678 ( -19.408 0.000 22.722) 29.882 31.774 ( 26.458 0.000 -0.602) 26.465 32.312 ( -26.148 0.000 -3.386) 26.366 37.481 ( 17.523 0.000 4.811) 18.171 37.870 ( -20.569 0.000 5.058) 21.182 43.543 ( 15.095 0.000 -7.650) 16.923 43.817 ( -11.925 0.000 -6.068) 13.381 ======================= Grid point 133 (28/189) ======================= q-point: ( 0.09 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 15.990 15.990 30.248) 37.766 1.858 ( 29.340 29.340 32.012) 52.406 2.896 ( 42.200 42.200 52.253) 79.323 5.663 ( -2.669 -2.669 26.750) 27.015 7.588 ( 13.929 13.929 17.983) 26.673 8.664 ( -14.754 -14.754 -6.058) 21.728 9.244 ( 18.395 18.395 -1.248) 26.044 14.787 ( 4.498 4.498 7.269) 9.660 18.356 ( 71.761 71.761 -146.329) 178.078 21.941 ( -4.187 -4.187 -8.740) 10.557 29.629 ( -51.963 -51.963 98.700) 123.052 29.991 ( -1.446 -1.446 10.188) 10.391 30.408 ( -31.200 -31.200 87.187) 97.716 33.788 ( -6.924 -6.924 2.554) 10.120 36.638 ( 1.798 1.798 -1.246) 2.832 39.427 ( -12.121 -12.121 3.371) 17.470 41.709 ( 37.103 37.103 -55.464) 76.351 44.365 ( -0.325 -0.325 -5.733) 5.752 ======================= Grid point 134 (29/189) ======================= q-point: ( 0.18 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 40.814 -9.045 14.790) 44.343 2.567 ( 38.424 13.913 30.552) 51.024 3.856 ( 49.618 38.692 32.243) 70.701 5.580 ( -5.549 -2.141 26.725) 27.379 7.766 ( -2.987 9.877 6.248) 12.063 8.372 ( -11.262 -23.475 -3.003) 26.209 9.810 ( 38.681 27.429 5.021) 47.684 14.818 ( -1.480 12.218 6.445) 13.892 19.600 ( 47.190 14.132 -109.453) 120.027 21.819 ( -7.617 -4.568 -9.853) 13.265 28.539 ( -38.429 -20.415 110.276) 118.551 29.831 ( -12.514 5.992 12.623) 18.757 30.390 ( 12.474 -5.452 17.730) 22.354 33.567 ( -14.402 -5.894 0.687) 15.577 36.717 ( 5.881 -1.190 -0.238) 6.005 39.096 ( -19.531 -11.346 4.201) 22.975 42.350 ( 26.495 11.698 -28.651) 40.739 44.324 ( -3.739 1.717 -5.575) 6.929 ======================= Grid point 135 (30/189) ======================= q-point: ( 0.27 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 43.571 -13.513 4.518) 45.841 3.376 ( 40.752 -0.799 27.676) 49.268 4.846 ( 45.429 30.767 18.957) 58.049 5.447 ( -6.106 0.948 27.122) 27.817 7.426 ( -26.482 -6.290 0.314) 27.221 8.185 ( -10.543 -9.442 -0.951) 14.185 10.786 ( 54.774 27.376 7.287) 61.666 14.714 ( -9.339 15.744 5.254) 19.044 20.323 ( 26.146 -3.184 -70.904) 75.638 21.641 ( -9.659 -5.230 -11.840) 16.150 28.091 ( -8.337 -3.125 70.782) 71.340 29.525 ( -17.233 6.520 14.549) 23.477 30.731 ( 20.170 -5.671 9.339) 22.939 33.214 ( -20.050 -5.840 -1.794) 20.960 36.873 ( 9.449 -3.390 1.610) 10.167 38.664 ( -22.283 -10.504 4.634) 25.066 42.828 ( 21.136 4.816 -15.916) 26.893 44.216 ( -6.804 2.020 -5.164) 8.777 ======================= Grid point 136 (31/189) ======================= q-point: ( 0.36 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.659 ( 36.085 -6.598 6.444) 37.245 4.221 ( 41.844 -15.205 18.050) 48.041 5.150 ( -10.586 -3.483 22.608) 25.206 5.861 ( 41.495 28.191 13.731) 52.011 6.792 ( -34.619 -16.867 2.123) 38.568 7.877 ( -20.037 4.291 0.413) 20.496 11.934 ( 56.036 24.258 5.885) 61.344 14.412 ( -20.914 17.706 4.182) 27.720 20.737 ( 15.877 -7.843 -45.171) 48.519 21.436 ( -10.250 -6.200 -15.090) 19.267 28.105 ( 7.976 2.576 45.180) 45.950 29.144 ( -19.817 6.260 17.722) 27.312 31.189 ( 24.453 -5.982 4.131) 25.511 32.763 ( -24.019 -6.055 -3.064) 24.959 37.102 ( 13.090 -5.311 3.143) 14.472 38.209 ( -22.035 -9.604 4.740) 24.500 43.223 ( 17.798 2.143 -10.108) 20.579 44.050 ( -9.508 1.459 -5.202) 10.936 ======================= Grid point 137 (32/189) ======================= q-point: ( 0.45 0.09 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.297 ( 26.764 -1.976 13.116) 29.871 4.732 ( -12.032 -2.350 13.468) 18.213 5.196 ( 35.613 -23.520 15.170) 45.295 6.006 ( -39.027 -23.478 3.427) 45.673 6.697 ( 36.387 22.497 8.978) 43.712 7.373 ( -29.298 14.436 3.446) 32.842 13.002 ( 47.797 21.514 4.324) 52.594 13.847 ( -34.808 19.427 3.740) 40.037 21.009 ( 11.545 -8.327 -29.626) 32.869 21.228 ( -10.323 -7.389 -20.481) 24.096 28.363 ( 16.324 4.760 30.677) 35.075 28.737 ( -19.792 5.740 22.563) 30.557 31.710 ( 26.420 -6.185 0.106) 27.134 32.249 ( -26.211 -6.208 -2.425) 27.046 37.406 ( 16.736 -7.036 4.098) 18.612 37.780 ( -19.929 -8.478 4.580) 22.136 43.555 ( 14.891 1.057 -7.253) 16.597 43.830 ( -12.153 0.952 -5.820) 13.508 ======================= Grid point 145 (33/189) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 15.546 15.546 16.861) 27.706 2.991 ( 25.620 25.620 32.240) 48.499 4.702 ( 41.755 41.755 16.523) 61.319 5.520 ( -3.072 -3.072 27.334) 27.678 7.768 ( -28.490 -28.490 -1.769) 40.330 8.016 ( 6.187 6.187 1.928) 8.960 10.533 ( 43.047 43.047 6.562) 61.231 15.037 ( 7.420 7.420 6.137) 12.156 19.932 ( 16.933 16.933 -84.004) 87.350 21.686 ( -8.385 -8.385 -10.948) 16.139 28.172 ( -12.727 -12.727 82.084) 84.034 29.905 ( -2.741 -2.741 12.516) 13.103 30.334 ( 4.054 4.054 14.272) 15.381 33.369 ( -13.556 -13.556 1.680) 19.245 36.722 ( 2.046 2.046 -1.380) 3.206 38.784 ( -18.506 -18.506 4.316) 26.525 42.639 ( 15.775 15.775 -18.753) 29.144 44.325 ( -2.163 -2.163 -5.684) 6.455 ======================= Grid point 146 (34/189) ======================= q-point: ( 0.27 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 35.191 -10.222 8.910) 37.713 3.550 ( 28.412 14.626 32.307) 45.442 5.247 ( -0.002 1.817 16.056) 16.159 5.710 ( 32.421 29.601 16.973) 47.069 7.088 ( -35.922 -26.246 2.311) 44.548 8.106 ( 0.048 1.612 -1.611) 2.280 11.520 ( 52.489 43.081 6.370) 68.203 15.080 ( -3.635 17.847 5.211) 18.945 20.256 ( 14.663 -2.767 -59.002) 60.860 21.488 ( -10.820 -9.631 -12.881) 19.384 28.059 ( 1.337 0.998 56.353) 56.378 29.692 ( -15.792 8.643 14.923) 23.383 30.585 ( 18.240 -7.473 9.407) 21.842 33.026 ( -19.871 -12.753 0.634) 23.620 36.805 ( 6.092 -2.671 -0.518) 6.672 38.374 ( -21.167 -17.279 4.264) 27.655 42.967 ( 16.130 8.587 -12.196) 21.970 44.234 ( -6.600 -0.931 -5.082) 8.382 ======================= Grid point 147 (35/189) ======================= q-point: ( 0.36 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( 40.940 -21.652 0.542) 46.316 4.125 ( 27.999 4.325 32.682) 43.253 5.074 ( -13.001 -4.724 18.388) 23.010 6.210 ( -22.737 -18.986 0.627) 29.628 6.559 ( 19.229 19.316 12.605) 30.029 7.999 ( -10.624 6.990 -1.968) 12.868 12.603 ( 52.400 39.722 4.870) 65.934 14.872 ( -17.136 25.490 4.053) 30.981 20.531 ( 12.622 -11.500 -40.627) 44.070 21.256 ( -11.746 -11.274 -15.954) 22.795 28.200 ( 11.795 7.053 38.963) 41.316 29.322 ( -19.877 10.711 17.938) 28.838 31.018 ( 23.662 -10.370 5.236) 26.360 32.576 ( -24.048 -12.382 -0.415) 27.051 36.970 ( 10.171 -6.966 1.070) 12.374 37.944 ( -20.616 -15.708 3.977) 26.222 43.287 ( 15.152 4.063 -8.432) 17.809 44.065 ( -9.778 -0.470 -4.804) 10.904 ======================= Grid point 148 (36/189) ======================= q-point: ( 0.45 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.130 ( 34.946 -17.815 -1.644) 39.259 4.633 ( 2.286 -6.232 15.439) 16.806 4.812 ( 7.508 -11.984 25.000) 28.723 5.462 ( -38.507 -27.053 15.467) 49.537 7.169 ( 29.116 22.639 3.398) 37.038 7.679 ( -20.639 14.631 -0.236) 25.300 13.598 ( 44.403 35.450 3.623) 56.934 14.376 ( -31.607 30.916 3.358) 44.340 20.777 ( 11.787 -13.758 -28.500) 33.771 21.016 ( -11.757 -12.985 -20.800) 27.193 28.509 ( 17.954 9.675 28.435) 34.993 28.906 ( -20.490 10.721 22.084) 31.977 31.528 ( 26.037 -11.528 1.903) 28.539 32.062 ( -26.113 -12.089 -0.092) 28.776 37.219 ( 14.285 -10.614 2.456) 17.965 37.549 ( -18.015 -13.533 3.405) 22.787 43.581 ( 13.704 1.353 -6.290) 15.139 43.843 ( -11.988 0.019 -5.165) 13.053 ======================= Grid point 157 (37/189) ======================= q-point: ( 0.27 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 10.665 10.665 9.924) 18.055 3.898 ( 18.681 18.681 32.158) 41.618 5.160 ( -8.031 -8.031 17.186) 20.600 6.224 ( -4.096 -4.096 -0.081) 5.793 6.593 ( 1.421 1.421 13.715) 13.862 8.158 ( 1.625 1.625 -3.586) 4.259 12.478 ( 49.624 49.624 5.092) 70.364 15.358 ( 7.957 7.957 5.082) 12.347 20.234 ( 1.067 1.067 -46.519) 46.544 21.260 ( -12.499 -12.499 -14.699) 22.990 28.155 ( 8.518 8.518 42.614) 44.284 29.777 ( -3.370 -3.370 16.072) 16.763 30.528 ( 5.054 5.054 8.235) 10.904 32.700 ( -19.083 -19.083 1.726) 27.043 36.783 ( 0.816 0.816 -1.177) 1.648 37.992 ( -19.566 -19.566 3.721) 27.920 43.164 ( 10.420 10.420 -8.974) 17.254 44.168 ( -5.482 -5.482 -4.551) 8.990 ======================= Grid point 158 (38/189) ======================= q-point: ( 0.36 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 28.609 -13.359 5.172) 31.995 4.284 ( 18.805 9.915 32.444) 38.788 4.917 ( -17.138 -12.541 8.040) 22.708 5.625 ( -33.719 -29.576 16.975) 47.957 7.088 ( 27.763 26.002 3.997) 38.248 8.130 ( -4.942 5.220 -4.108) 8.279 13.482 ( 47.801 45.133 3.770) 65.849 15.364 ( -7.933 20.855 4.350) 22.732 20.308 ( 6.169 -9.551 -35.969) 37.723 20.991 ( -13.562 -14.338 -17.513) 26.386 28.398 ( 15.125 12.440 32.620) 38.047 29.548 ( -16.878 10.217 18.379) 26.964 30.800 ( 19.526 -9.643 6.056) 22.604 32.264 ( -23.381 -18.075 1.931) 29.616 36.845 ( 5.353 -4.830 -0.408) 7.222 37.601 ( -18.359 -17.298 3.001) 25.403 43.383 ( 10.954 5.232 -6.672) 13.852 44.020 ( -8.744 -3.953 -4.189) 10.470 ======================= Grid point 159 (39/189) ======================= q-point: ( 0.45 0.27 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( 36.948 -26.523 -1.222) 45.499 4.377 ( -32.566 -25.063 -4.419) 41.331 4.675 ( 16.790 0.299 33.877) 37.811 5.059 ( -21.555 -10.684 33.699) 41.406 7.593 ( 21.357 18.695 -0.541) 28.389 7.946 ( -13.218 11.285 -3.075) 17.649 14.374 ( 38.900 39.159 3.099) 55.283 15.029 ( -24.796 31.374 3.408) 40.135 20.479 ( 10.436 -14.768 -27.727) 33.103 20.720 ( -12.891 -15.614 -21.697) 29.677 28.753 ( 19.238 14.069 26.007) 35.276 29.160 ( -20.270 13.814 21.556) 32.655 31.256 ( 24.352 -14.662 3.934) 28.696 31.765 ( -25.217 -16.804 2.480) 30.404 37.004 ( 10.253 -9.929 0.866) 14.299 37.260 ( -14.888 -14.118 2.057) 20.621 43.606 ( 10.923 1.081 -5.166) 12.131 43.823 ( -10.362 -1.905 -4.356) 11.401 ======================= Grid point 169 (40/189) ======================= q-point: ( 0.36 0.36 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 5.413 5.413 6.039) 9.750 4.443 ( -20.860 -20.860 2.170) 29.580 4.524 ( 0.551 0.551 24.820) 24.832 5.171 ( -14.576 -14.576 34.425) 40.124 7.567 ( 20.655 20.655 -0.526) 29.216 8.189 ( 0.190 0.190 -5.188) 5.195 14.378 ( 41.651 41.651 3.088) 58.985 15.651 ( 6.108 6.108 4.581) 9.778 20.176 ( -2.676 -2.676 -31.834) 32.059 20.690 ( -14.899 -14.899 -19.951) 29.017 28.700 ( 16.884 16.884 27.648) 36.532 29.647 ( -2.811 -2.811 20.017) 20.408 30.719 ( 4.067 4.067 5.540) 7.985 31.854 ( -21.831 -21.831 3.417) 31.063 36.789 ( -0.377 -0.377 -0.659) 0.848 37.266 ( -15.198 -15.198 1.966) 21.582 43.497 ( 6.011 6.011 -5.209) 9.969 43.912 ( -6.434 -6.434 -3.728) 9.833 ======================= Grid point 170 (41/189) ======================= q-point: ( 0.45 0.36 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 23.740 -17.313 2.874) 29.522 3.770 ( -33.744 -30.619 -2.295) 45.623 4.728 ( 10.567 3.618 33.576) 35.385 4.937 ( -10.193 -3.584 34.833) 36.470 7.919 ( 13.826 13.131 -3.435) 19.375 8.126 ( -6.551 6.171 -4.977) 10.284 15.125 ( 30.568 33.101 3.236) 45.173 15.580 ( -13.349 21.095 4.047) 25.290 20.212 ( 6.076 -10.585 -27.590) 30.169 20.406 ( -12.385 -14.507 -23.388) 30.180 29.069 ( 18.864 16.510 24.105) 34.778 29.435 ( -16.009 11.899 21.712) 29.483 30.968 ( 18.382 -12.299 5.067) 22.690 31.396 ( -22.583 -18.911 4.389) 29.781 36.837 ( 5.153 -6.042 -0.041) 7.941 36.999 ( -10.722 -11.069 0.926) 15.438 43.627 ( 6.774 1.141 -4.191) 8.047 43.770 ( -7.189 -3.093 -3.694) 8.654 ======================= Grid point 181 (42/189) ======================= q-point: ( 0.45 0.45 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 1.496 1.496 4.211) 4.712 3.231 ( -20.526 -20.526 2.087) 29.103 4.804 ( 3.638 3.638 33.489) 33.882 4.872 ( -3.140 -3.140 33.919) 34.208 8.121 ( 6.695 6.695 -5.211) 10.807 8.190 ( -0.040 -0.040 -5.731) 5.732 15.661 ( 18.295 18.295 4.019) 26.184 15.828 ( 2.313 2.313 4.522) 5.581 20.084 ( -1.380 -1.380 -27.209) 27.279 20.162 ( -8.659 -8.659 -25.587) 28.366 29.392 ( 14.021 14.021 23.121) 30.459 29.565 ( -1.095 -1.095 22.735) 22.787 30.838 ( 1.582 1.582 4.960) 5.442 31.032 ( -15.567 -15.567 5.126) 22.604 36.770 ( -0.364 -0.364 -0.212) 0.557 36.825 ( -5.779 -5.779 0.154) 8.174 43.657 ( 1.933 1.933 -3.565) 4.492 43.707 ( -2.914 -2.914 -3.396) 5.340 ======================= Grid point 242 (43/189) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -0.000 0.000 41.299) 41.299 1.785 ( 0.000 0.000 41.299) 41.299 3.693 ( 0.000 0.000 90.248) 90.248 6.432 ( 0.000 0.000 44.250) 44.250 7.985 ( 0.000 0.000 49.165) 49.165 8.725 ( 0.000 0.000 -12.757) 12.757 8.725 ( 0.000 0.000 -12.757) 12.757 14.913 ( -0.000 -0.000 14.586) 14.586 14.913 ( -0.000 0.000 14.586) 14.586 21.792 ( 0.000 0.000 -15.931) 15.931 30.284 ( 0.000 0.000 17.090) 17.090 30.284 ( -0.000 0.000 17.090) 17.090 34.001 ( 0.000 0.000 5.069) 5.069 36.567 ( 0.000 0.000 -1.953) 1.953 36.567 ( -0.000 0.000 -1.953) 1.953 37.543 ( -0.000 -0.000 -8.688) 8.688 39.826 ( 0.000 0.000 7.835) 7.835 44.242 ( 0.000 0.000 -9.236) 9.236 ======================= Grid point 243 (44/189) ======================= q-point: ( 0.09 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 18.521 0.000 36.236) 40.695 2.092 ( 27.801 0.000 32.848) 43.033 3.964 ( 24.834 0.000 83.460) 87.076 6.396 ( -3.577 0.000 43.317) 43.465 7.981 ( -2.159 0.000 29.133) 29.213 8.680 ( -4.510 0.000 -11.281) 12.149 8.973 ( 24.232 0.000 3.348) 24.462 14.904 ( -1.160 0.000 14.012) 14.060 15.913 ( 81.728 0.000 -28.886) 86.683 21.741 ( -4.972 0.000 -16.468) 17.203 30.231 ( -5.156 0.000 17.983) 18.708 30.319 ( 2.913 0.000 17.399) 17.641 33.656 (-147.010 0.000 67.994) 161.972 33.892 ( -10.409 0.000 2.989) 10.830 36.624 ( 5.375 0.000 -0.504) 5.398 39.515 ( 20.167 0.000 -15.161) 25.230 40.059 ( 69.843 0.000 -24.936) 74.161 44.222 ( -2.042 0.000 -9.218) 9.441 ======================= Grid point 244 (45/189) ======================= q-point: ( 0.18 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 32.676 0.000 24.841) 41.046 2.803 ( 39.953 0.000 19.616) 44.509 4.604 ( 35.909 0.000 70.584) 79.193 6.285 ( -7.458 0.000 40.549) 41.229 7.834 ( -12.622 0.000 6.978) 14.422 8.539 ( -9.474 0.000 -6.930) 11.738 9.695 ( 45.348 0.000 18.307) 48.903 14.851 ( -4.556 0.000 12.451) 13.259 17.603 ( 76.192 0.000 -64.862) 100.061 21.595 ( -9.220 0.000 -18.086) 20.301 30.077 ( -9.881 0.000 20.452) 22.713 30.296 ( -13.548 0.000 33.227) 35.883 31.414 ( -64.646 0.000 69.199) 94.697 33.597 ( -17.960 0.000 -1.496) 18.022 36.775 ( 9.303 0.000 2.536) 9.642 39.317 ( -18.202 0.000 5.549) 19.029 41.472 ( 53.965 0.000 -36.986) 65.424 44.158 ( -4.235 0.000 -9.204) 10.132 ======================= Grid point 245 (46/189) ======================= q-point: ( 0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 38.056 0.000 16.620) 41.527 3.655 ( 42.848 0.000 9.883) 43.973 5.360 ( 37.386 0.000 56.941) 68.117 6.090 ( -11.773 0.000 35.945) 37.824 7.480 ( -21.719 0.000 0.038) 21.719 8.290 ( -15.010 0.000 0.130) 15.011 10.738 ( 55.219 0.000 18.050) 58.094 14.693 ( -11.697 0.000 10.402) 15.653 18.908 ( 52.530 0.000 -65.261) 83.776 21.374 ( -12.299 0.000 -20.883) 24.236 29.631 ( -34.974 0.000 68.678) 77.071 29.837 ( -13.483 0.000 24.050) 27.571 31.050 ( 8.445 0.000 16.636) 18.657 33.184 ( -22.192 0.000 -5.373) 22.833 36.995 ( 12.248 0.000 5.291) 13.342 38.900 ( -22.017 0.000 7.518) 23.265 42.338 ( 33.802 0.000 -25.251) 42.193 44.047 ( -6.733 0.000 -9.321) 11.499 ======================= Grid point 246 (47/189) ======================= q-point: ( 0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.009 ( 36.145 0.000 15.048) 39.152 4.509 ( 39.888 0.000 4.429) 40.133 5.810 ( -15.182 0.000 28.872) 32.620 6.084 ( 31.990 0.000 39.417) 50.765 6.981 ( -25.650 0.000 2.783) 25.801 7.926 ( -20.790 0.000 9.730) 22.954 11.871 ( 54.742 0.000 13.608) 56.408 14.349 ( -22.590 0.000 8.683) 24.201 19.783 ( 34.670 0.000 -53.778) 63.984 21.100 ( -14.568 0.000 -25.249) 29.151 29.157 ( -12.102 0.000 57.046) 58.316 29.544 ( -14.796 0.000 28.626) 32.224 31.345 ( 18.336 0.000 5.544) 19.156 32.712 ( -23.849 0.000 -6.718) 24.777 37.273 ( 15.091 0.000 7.075) 16.667 38.445 ( -22.320 0.000 8.225) 23.787 42.915 ( 23.898 0.000 -17.508) 29.625 43.881 ( -9.694 0.000 -9.781) 13.771 ======================= Grid point 247 (48/189) ======================= q-point: ( 0.45 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.682 ( 29.180 0.000 18.269) 34.428 5.075 ( 1.294 0.000 15.378) 15.433 5.652 ( 13.623 0.000 6.724) 15.192 6.206 ( -26.987 0.000 -4.362) 27.338 6.898 ( 25.053 0.000 34.257) 42.441 7.448 ( -26.010 0.000 21.660) 33.848 12.916 ( 47.142 0.000 9.893) 48.169 13.760 ( -35.400 0.000 8.266) 36.352 20.365 ( 23.578 0.000 -41.543) 47.768 20.776 ( -17.576 0.000 -31.912) 36.432 29.087 ( 3.841 0.000 44.103) 44.270 29.261 ( -12.195 0.000 34.857) 36.929 31.759 ( 21.971 0.000 -0.726) 21.983 32.226 ( -23.672 0.000 -5.009) 24.196 37.610 ( 18.040 0.000 7.998) 19.733 38.005 ( -20.687 0.000 8.338) 22.304 43.335 ( 17.782 0.000 -13.191) 22.141 43.649 ( -13.285 0.000 -10.903) 17.186 ======================= Grid point 254 (49/189) ======================= q-point: ( 0.09 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 9.079 9.079 34.872) 37.160 2.444 ( 26.625 26.625 28.854) 47.437 4.220 ( 23.394 23.394 76.201) 83.073 6.363 ( -3.366 -3.366 42.361) 42.628 8.008 ( 0.895 0.895 20.127) 20.166 8.502 ( -12.202 -12.202 -9.998) 19.943 9.289 ( 26.693 26.693 9.866) 39.017 14.994 ( 3.876 3.876 13.728) 14.782 16.537 ( 56.282 56.282 -50.031) 94.013 21.688 ( -5.091 -5.091 -17.002) 18.464 30.244 ( -3.401 -3.401 19.428) 20.014 30.275 ( -0.442 -0.442 18.314) 18.325 32.478 ( -82.839 -82.839 74.852) 139.023 33.894 ( -8.939 -8.939 9.794) 15.991 36.603 ( 1.661 1.661 -2.179) 3.204 39.493 ( -8.787 -8.787 1.853) 12.565 40.717 ( 52.354 52.354 -40.531) 84.408 44.215 ( -0.873 -0.873 -9.545) 9.625 ======================= Grid point 255 (50/189) ======================= q-point: ( 0.18 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 27.372 -5.474 25.390) 37.734 3.093 ( 35.861 21.740 23.106) 47.881 4.822 ( 33.707 19.866 62.380) 73.634 6.255 ( -7.279 -3.016 39.176) 39.961 7.880 ( -15.551 3.588 3.751) 16.395 8.308 ( -5.905 -19.086 -2.763) 20.169 10.013 ( 43.742 28.205 17.223) 54.823 15.002 ( -2.992 12.039 12.202) 17.401 17.818 ( 62.170 20.380 -67.928) 94.312 21.538 ( -9.466 -5.455 -18.605) 21.576 30.023 ( -19.219 -10.050 34.572) 40.811 30.236 ( -10.280 -2.024 29.087) 30.916 31.113 ( -36.310 -22.532 55.506) 70.051 33.601 ( -18.545 -2.226 3.248) 18.958 36.712 ( 8.285 -4.100 -0.205) 9.246 39.202 ( -18.361 -10.955 6.091) 22.231 41.709 ( 42.009 20.499 -33.301) 57.393 44.174 ( -3.442 0.994 -9.659) 10.302 ======================= Grid point 256 (51/189) ======================= q-point: ( 0.27 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 36.621 -14.246 14.484) 41.878 3.855 ( 38.125 15.114 19.745) 45.517 5.518 ( 32.453 13.598 48.328) 59.781 6.073 ( -9.657 -1.389 32.839) 34.257 7.444 ( -25.312 -4.734 2.186) 25.843 8.177 ( -8.699 -8.517 1.127) 12.227 11.016 ( 53.239 25.848 16.556) 61.454 14.864 ( -10.990 15.468 10.051) 21.473 18.931 ( 46.631 2.310 -64.506) 79.629 21.311 ( -12.671 -6.068 -21.366) 25.571 29.471 ( -26.409 -12.100 62.231) 68.677 29.936 ( -15.345 7.237 27.871) 32.629 30.986 ( 10.330 -5.901 15.932) 19.884 33.173 ( -22.976 -2.002 -2.071) 23.156 36.919 ( 11.793 -6.432 3.022) 13.769 38.786 ( -21.827 -10.773 7.417) 25.446 42.429 ( 29.844 8.505 -23.124) 38.700 44.071 ( -6.639 1.836 -9.454) 11.697 ======================= Grid point 257 (52/189) ======================= q-point: ( 0.36 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.808 ( 37.848 -16.764 8.667) 42.292 4.608 ( 34.893 8.017 18.283) 40.200 5.703 ( -14.173 -8.291 28.898) 33.237 6.237 ( 21.952 10.199 23.569) 33.784 6.923 ( -21.600 -3.972 13.988) 26.039 7.928 ( -15.874 0.621 6.633) 17.215 12.113 ( 53.221 22.934 12.521) 59.289 14.534 ( -22.008 17.247 8.221) 29.145 19.728 ( 32.502 -5.160 -52.972) 62.362 21.029 ( -15.012 -6.881 -25.635) 30.494 29.122 ( -7.914 -2.464 53.696) 54.332 29.620 ( -15.654 6.845 29.773) 34.326 31.296 ( 18.626 -4.790 6.352) 20.254 32.686 ( -24.500 -2.892 -4.397) 25.059 37.188 ( 14.667 -7.701 5.451) 17.440 38.336 ( -22.031 -10.300 7.815) 25.545 42.955 ( 22.411 3.853 -16.409) 28.042 43.903 ( -9.897 1.779 -9.579) 13.888 ======================= Grid point 258 (53/189) ======================= q-point: ( 0.45 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.538 ( 32.857 -13.900 9.913) 37.028 5.047 ( -8.132 -3.929 16.826) 19.097 5.549 ( 16.200 -7.934 15.597) 23.847 6.101 ( -27.990 -8.710 7.048) 30.150 7.038 ( 24.658 12.195 27.003) 38.547 7.535 ( -22.507 7.526 15.369) 28.273 13.132 ( 46.066 20.547 9.097) 51.254 13.958 ( -34.655 18.741 7.663) 40.137 20.286 ( 23.144 -7.560 -41.270) 47.917 20.697 ( -17.860 -7.631 -32.067) 37.490 29.113 ( 5.912 2.785 42.814) 43.310 29.318 ( -13.306 5.458 34.898) 37.745 31.715 ( 22.249 -4.361 0.489) 22.677 32.189 ( -24.118 -3.760 -3.345) 24.637 37.516 ( 17.609 -8.731 6.901) 20.831 37.903 ( -20.309 -9.614 7.629) 23.729 43.357 ( 17.332 2.038 -12.536) 21.488 43.667 ( -13.350 1.599 -10.472) 17.042 ======================= Grid point 266 (54/189) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 10.707 10.707 24.151) 28.506 3.607 ( 28.133 28.133 26.554) 47.833 5.325 ( 27.222 27.222 47.202) 60.910 6.158 ( -6.284 -6.284 33.708) 34.860 7.761 ( -22.638 -22.638 3.211) 32.175 8.043 ( 0.674 0.674 0.013) 0.954 10.751 ( 43.062 43.062 16.329) 63.049 15.213 ( 6.591 6.591 11.727) 14.980 18.365 ( 31.231 31.231 -69.054) 81.971 21.378 ( -10.187 -10.187 -20.160) 24.778 29.629 ( -23.599 -23.599 58.793) 67.605 30.248 ( -0.868 -0.868 21.792) 21.827 30.771 ( -7.534 -7.534 30.146) 31.973 33.436 ( -14.105 -14.105 5.673) 20.738 36.684 ( 2.046 2.046 -2.425) 3.776 38.897 ( -18.282 -18.282 6.827) 26.741 42.184 ( 24.205 24.205 -25.605) 42.748 44.171 ( -1.760 -1.760 -9.793) 10.104 ======================= Grid point 267 (55/189) ======================= q-point: ( 0.27 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 26.118 -7.266 16.592) 31.785 4.207 ( 30.114 19.144 29.619) 46.375 5.734 ( 1.833 0.602 33.476) 33.532 6.114 ( 10.834 9.628 21.099) 25.598 7.243 ( -24.897 -14.060 16.540) 33.032 8.061 ( -1.266 -1.946 -2.655) 3.527 11.714 ( 50.373 41.136 13.678) 66.458 15.230 ( -5.295 17.927 9.933) 21.168 19.009 ( 30.743 5.598 -62.100) 69.519 21.132 ( -13.710 -11.326 -22.812) 28.925 29.231 ( -13.555 -9.942 57.195) 59.614 30.101 ( -12.518 8.428 26.077) 30.129 30.836 ( 11.583 -7.859 15.357) 20.778 33.058 ( -22.044 -9.998 3.085) 24.402 36.792 ( 8.097 -4.851 -0.802) 9.473 38.488 ( -21.301 -17.789 7.073) 28.639 42.653 ( 21.661 12.784 -18.702) 31.343 44.092 ( -6.028 -0.436 -9.216) 11.021 ======================= Grid point 268 (56/189) ======================= q-point: ( 0.36 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( 34.251 -18.808 8.089) 39.903 4.800 ( 26.783 10.462 31.673) 42.778 5.467 ( -20.364 -15.906 16.479) 30.647 6.316 ( -6.933 -4.244 14.855) 16.933 6.966 ( 6.636 10.522 28.840) 31.409 7.963 ( -8.625 2.647 -0.532) 9.038 12.748 ( 50.012 37.890 10.023) 63.540 14.988 ( -18.577 25.529 7.703) 32.499 19.588 ( 26.048 -8.009 -51.297) 58.087 20.827 ( -16.167 -12.709 -26.832) 33.806 29.098 ( 0.180 0.912 48.405) 48.414 29.801 ( -16.020 10.652 29.819) 35.486 31.156 ( 18.881 -8.633 8.477) 22.425 32.574 ( -24.889 -8.576 0.599) 26.332 37.001 ( 12.265 -9.637 1.991) 15.725 38.052 ( -21.134 -16.825 6.750) 27.844 43.062 ( 18.510 6.335 -13.929) 24.016 43.930 ( -9.802 0.278 -8.863) 13.218 ======================= Grid point 269 (57/189) ======================= q-point: ( 0.45 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.149 ( 35.698 -22.992 2.991) 42.566 4.829 ( -28.751 -18.729 5.631) 34.772 5.440 ( 23.322 -1.195 33.089) 40.499 5.934 ( -23.671 -6.375 30.188) 38.888 7.326 ( 20.967 14.906 14.674) 29.616 7.710 ( -16.035 8.902 5.241) 19.074 13.705 ( 43.163 34.243 7.294) 55.578 14.473 ( -31.905 30.391 6.526) 44.544 20.071 ( 21.597 -13.114 -40.929) 48.099 20.476 ( -18.446 -13.778 -32.718) 40.007 29.211 ( 10.126 7.070 40.319) 42.168 29.477 ( -15.226 9.991 34.308) 38.842 31.582 ( 22.639 -8.667 3.656) 24.516 32.066 ( -24.692 -8.488 0.762) 26.121 37.287 ( 15.821 -12.915 4.306) 20.872 37.642 ( -18.982 -15.242 5.857) 25.039 43.408 ( 15.631 2.801 -10.952) 19.290 43.698 ( -12.867 1.063 -9.350) 15.941 ======================= Grid point 278 (58/189) ======================= q-point: ( 0.27 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 7.671 7.671 15.889) 19.240 4.619 ( 20.905 20.905 35.935) 46.534 5.520 ( -18.843 -18.843 14.530) 30.352 6.323 ( 2.675 2.675 15.488) 15.943 7.039 ( 0.076 0.076 32.145) 32.145 8.056 ( -0.052 -0.052 -6.799) 6.799 12.628 ( 47.381 47.381 10.352) 67.802 15.504 ( 7.380 7.380 9.784) 14.306 19.169 ( 10.388 10.388 -57.314) 59.167 20.860 ( -15.193 -15.193 -25.281) 33.179 29.110 ( -1.360 -1.360 50.245) 50.282 30.209 ( -0.965 -0.965 26.928) 26.962 30.746 ( 2.352 2.352 13.338) 13.747 32.763 ( -18.618 -18.618 5.097) 26.818 36.751 ( 1.101 1.101 -2.036) 2.563 38.093 ( -20.330 -20.330 6.394) 29.453 42.927 ( 13.718 13.718 -14.493) 24.215 44.039 ( -4.807 -4.807 -8.425) 10.826 ======================= Grid point 279 (59/189) ======================= q-point: ( 0.36 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( 22.252 -10.979 10.545) 26.961 4.943 ( -13.089 -12.061 13.617) 22.410 5.118 ( 4.129 -2.449 28.517) 28.918 6.165 ( -13.892 -8.471 36.326) 39.804 7.267 ( 17.218 16.575 16.416) 28.995 8.019 ( -4.081 2.436 -6.708) 8.221 13.591 ( 46.109 43.545 7.326) 63.843 15.488 ( -9.423 21.471 8.194) 24.838 19.433 ( 15.303 -6.382 -49.825) 52.511 20.525 ( -17.566 -16.715 -28.991) 37.795 29.177 ( 7.678 7.067 43.397) 44.634 30.034 ( -13.861 11.324 29.786) 34.750 30.964 ( 16.848 -9.271 10.356) 21.842 32.329 ( -23.311 -15.474 4.971) 28.418 36.835 ( 6.959 -6.004 -0.605) 9.211 37.684 ( -19.425 -18.596 5.306) 27.410 43.202 ( 13.263 7.306 -11.280) 18.882 43.901 ( -8.550 -3.153 -7.816) 12.006 ======================= Grid point 280 (60/189) ======================= q-point: ( 0.45 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.664 ( 31.171 -23.208 3.910) 39.058 4.334 ( -33.596 -27.912 -0.463) 43.680 5.479 ( 19.059 3.938 44.167) 48.265 5.846 ( -16.976 -2.806 44.518) 47.727 7.613 ( 15.598 12.877 4.172) 20.652 7.877 ( -10.059 7.132 -3.011) 12.694 14.461 ( 38.554 38.603 5.721) 54.857 15.124 ( -25.868 31.809 6.194) 41.465 19.777 ( 18.138 -15.033 -41.461) 47.686 20.154 ( -18.630 -17.356 -34.307) 42.723 29.403 ( 13.914 11.748 37.830) 41.984 29.717 ( -16.280 13.356 33.407) 39.490 31.368 ( 22.051 -12.138 7.429) 26.244 31.841 ( -24.084 -13.556 5.411) 28.162 37.029 ( 11.998 -11.659 1.677) 16.813 37.318 ( -16.317 -15.785 3.740) 23.009 43.463 ( 12.339 2.504 -9.114) 15.543 43.701 ( -10.935 -0.863 -7.973) 13.560 ======================= Grid point 290 (61/189) ======================= q-point: ( 0.36 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 3.722 3.722 10.597) 11.832 4.390 ( -31.394 -31.394 -1.764) 44.433 5.322 ( 12.563 12.563 46.031) 49.341 5.992 ( -8.760 -8.760 47.885) 49.461 7.588 ( 14.406 14.406 4.378) 20.838 8.044 ( -0.438 -0.438 -9.429) 9.450 14.464 ( 41.070 41.070 5.526) 58.344 15.783 ( 5.918 5.918 8.705) 12.075 19.370 ( 1.166 1.166 -47.741) 47.769 20.163 ( -18.454 -18.454 -32.380) 41.588 29.382 ( 12.774 12.774 39.198) 43.160 30.175 ( -0.654 -0.654 32.372) 32.385 30.870 ( 3.256 3.256 9.482) 10.541 31.959 ( -20.357 -20.357 7.500) 29.751 36.772 ( 0.022 0.022 -1.037) 1.037 37.321 ( -16.574 -16.574 3.648) 23.721 43.354 ( 7.596 7.596 -9.064) 14.056 43.806 ( -6.038 -6.038 -6.988) 11.034 ======================= Grid point 291 (62/189) ======================= q-point: ( 0.45 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( 19.009 -14.608 6.905) 24.948 3.764 ( -28.878 -26.660 1.650) 39.337 5.573 ( 11.897 4.980 49.490) 51.143 5.799 ( -10.259 -2.176 50.730) 51.803 7.838 ( 9.994 9.090 -3.855) 14.049 7.990 ( -4.962 3.865 -8.434) 10.521 15.213 ( 31.385 33.777 5.554) 46.441 15.693 ( -14.720 22.219 7.342) 27.645 19.498 ( 11.135 -11.296 -43.115) 45.940 19.794 ( -17.143 -17.312 -37.247) 44.507 29.679 ( 15.882 15.009 35.929) 42.052 29.997 ( -14.188 13.038 33.696) 38.816 31.112 ( 18.018 -11.869 9.641) 23.632 31.526 ( -21.587 -16.999 8.928) 28.891 36.837 ( 6.346 -6.732 0.118) 9.252 37.027 ( -12.117 -12.352 1.861) 17.403 43.510 ( 7.731 2.214 -7.534) 11.019 43.666 ( -7.446 -2.409 -6.833) 10.389 ======================= Grid point 302 (63/189) ======================= q-point: ( 0.45 0.45 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 0.947 0.947 8.020) 8.131 3.307 ( -16.952 -16.952 5.683) 24.639 5.670 ( 4.378 4.378 52.303) 52.669 5.747 ( -3.121 -3.121 52.882) 53.066 7.979 ( 4.681 4.681 -8.924) 11.112 8.028 ( -0.227 -0.227 -10.500) 10.504 15.772 ( 19.636 19.636 7.126) 28.669 15.956 ( 2.302 2.302 8.402) 9.011 19.368 ( -0.434 -0.434 -43.890) 43.894 19.489 ( -11.597 -11.597 -41.244) 44.385 29.985 ( 13.903 13.903 35.349) 40.449 30.157 ( -0.212 -0.212 35.977) 35.978 30.977 ( 1.590 1.590 8.967) 9.245 31.181 ( -15.672 -15.672 10.103) 24.357 36.766 ( -0.176 -0.176 -0.166) 0.300 36.831 ( -6.573 -6.573 0.508) 9.309 43.557 ( 2.455 2.455 -6.534) 7.399 43.611 ( -2.804 -2.804 -6.294) 7.439 ======================= Grid point 363 (64/189) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -0.000 -0.000 35.032) 35.032 2.532 ( 0.000 0.000 35.032) 35.032 5.390 ( -0.000 -0.000 82.748) 82.748 7.379 ( 0.000 0.000 50.876) 50.876 8.423 ( 0.000 0.000 -17.893) 17.893 8.423 ( -0.000 -0.000 -17.893) 17.893 9.096 ( 0.000 0.000 63.098) 63.098 15.250 ( 0.000 0.000 19.439) 19.439 15.250 ( -0.000 0.000 19.439) 19.439 21.404 ( 0.000 0.000 -23.711) 23.711 30.671 ( 0.000 0.000 21.953) 21.953 30.671 ( 0.000 0.000 21.953) 21.953 34.125 ( -0.000 0.000 7.596) 7.596 36.525 ( 0.000 0.000 -2.314) 2.314 36.525 ( 0.000 0.000 -2.314) 2.314 37.342 ( 0.000 0.000 -11.735) 11.735 40.010 ( -0.000 0.000 10.917) 10.917 44.022 ( 0.000 0.000 -13.198) 13.198 ======================= Grid point 364 (65/189) ======================= q-point: ( 0.09 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 11.913 0.000 32.474) 34.591 2.720 ( 17.803 0.000 30.701) 35.489 5.566 ( 16.543 0.000 79.233) 80.941 7.290 ( -8.419 0.000 44.655) 45.442 8.208 ( -15.722 0.000 -6.689) 17.086 8.441 ( 1.369 0.000 -11.130) 11.214 9.480 ( 31.533 0.000 48.396) 57.762 15.228 ( -2.384 0.000 18.734) 18.885 15.720 ( 42.506 0.000 3.013) 42.613 21.342 ( -5.976 0.000 -24.186) 24.913 30.636 ( -3.425 0.000 22.861) 23.116 30.708 ( 3.504 0.000 21.876) 22.155 33.965 ( -14.838 0.000 4.548) 15.519 34.517 (-110.866 0.000 26.943) 114.093 36.617 ( 8.479 0.000 -0.084) 8.480 38.988 ( 70.414 0.000 -28.726) 76.048 40.025 ( 9.395 0.000 8.992) 13.005 44.002 ( -1.960 0.000 -13.117) 13.263 ======================= Grid point 365 (66/189) ======================= q-point: ( 0.18 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( 23.101 0.000 25.477) 34.391 3.214 ( 29.571 0.000 21.525) 36.576 6.007 ( 25.162 0.000 70.844) 75.179 7.050 ( -14.893 0.000 32.524) 35.772 7.860 ( -18.397 0.000 -4.382) 18.912 8.459 ( -0.042 0.000 2.609) 2.609 10.255 ( 43.464 0.000 38.798) 58.262 15.141 ( -6.621 0.000 16.847) 18.101 16.775 ( 56.552 0.000 -24.029) 61.446 21.166 ( -11.220 0.000 -25.582) 27.934 30.531 ( -6.929 0.000 25.228) 26.163 30.800 ( 4.668 0.000 23.422) 23.883 32.531 ( -80.748 0.000 43.024) 91.495 33.569 ( -22.927 0.000 -1.258) 22.961 36.838 ( 12.632 0.000 3.904) 13.221 39.390 ( -11.153 0.000 0.318) 11.158 40.874 ( 55.533 0.000 -22.372) 59.870 43.940 ( -4.164 0.000 -12.925) 13.579 ======================= Grid point 366 (67/189) ======================= q-point: ( 0.27 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.577 ( 31.633 0.000 16.920) 35.874 3.882 ( 35.308 0.000 12.649) 37.506 6.515 ( 22.148 0.000 56.357) 60.553 6.693 ( -20.186 0.000 21.294) 29.341 7.471 ( -18.396 0.000 1.405) 18.450 8.423 ( -3.858 0.000 16.442) 16.889 11.208 ( 49.213 0.000 30.088) 57.682 14.938 ( -13.832 0.000 14.471) 20.019 17.889 ( 51.261 0.000 -39.315) 64.602 20.893 ( -15.418 0.000 -27.887) 31.865 30.358 ( -9.915 0.000 28.200) 29.892 30.737 ( -19.994 0.000 44.586) 48.864 31.421 ( -19.871 0.000 20.783) 28.754 33.075 ( -24.836 0.000 -5.379) 25.412 37.115 ( 14.466 0.000 6.849) 16.005 39.045 ( -20.216 0.000 6.589) 21.263 41.856 ( 40.605 0.000 -22.658) 46.499 43.829 ( -6.857 0.000 -12.778) 14.501 ======================= Grid point 367 (68/189) ======================= q-point: ( 0.36 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.263 ( 34.930 0.000 10.978) 36.614 4.621 ( 36.635 0.000 6.326) 37.177 6.233 ( -24.899 0.000 12.305) 27.773 6.637 ( -16.161 0.000 7.252) 17.714 7.352 ( 12.287 0.000 42.763) 44.494 8.294 ( -8.971 0.000 28.703) 30.072 12.217 ( 49.049 0.000 21.894) 53.714 14.559 ( -23.723 0.000 12.719) 26.918 18.827 ( 40.754 0.000 -42.811) 59.108 20.542 ( -19.154 0.000 -31.201) 36.612 30.144 ( -10.519 0.000 31.240) 32.964 30.206 ( -21.794 0.000 48.818) 53.462 31.459 ( 11.890 0.000 6.148) 13.386 32.583 ( -23.181 0.000 -5.833) 23.904 37.427 ( 16.240 0.000 8.376) 18.273 38.612 ( -21.715 0.000 8.367) 23.271 42.552 ( 28.681 0.000 -18.618) 34.194 43.656 ( -10.285 0.000 -12.930) 16.521 ======================= Grid point 368 (69/189) ======================= q-point: ( 0.45 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.962 ( 32.823 0.000 9.894) 34.281 5.310 ( 23.534 0.000 8.422) 24.996 5.724 ( -17.833 0.000 0.230) 17.834 6.111 ( -30.653 0.000 -5.053) 31.067 7.714 ( 18.763 0.000 47.399) 50.977 8.055 ( -14.417 0.000 39.222) 41.788 13.168 ( 43.645 0.000 15.869) 46.440 13.967 ( -34.486 0.000 12.868) 36.809 19.553 ( 31.037 0.000 -40.149) 50.747 20.107 ( -23.897 0.000 -35.534) 42.822 29.940 ( -4.955 0.000 41.053) 41.350 29.964 ( -6.120 0.000 35.084) 35.614 31.760 ( 17.020 0.000 1.529) 17.088 32.140 ( -20.265 0.000 -2.946) 20.478 37.779 ( 18.495 0.000 8.949) 20.546 38.179 ( -20.665 0.000 8.951) 22.520 43.048 ( 20.566 0.000 -15.501) 25.753 43.404 ( -14.715 0.000 -13.711) 20.113 ======================= Grid point 375 (70/189) ======================= q-point: ( 0.09 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 5.148 5.148 31.564) 32.393 2.993 ( 20.497 20.497 26.911) 39.553 5.728 ( 15.090 15.090 75.963) 78.904 7.200 ( -8.759 -8.759 38.133) 40.094 8.176 ( -6.482 -6.482 -3.860) 9.947 8.329 ( -5.209 -5.209 -3.931) 8.350 9.799 ( 28.179 28.179 42.426) 58.207 15.313 ( 3.011 3.011 18.421) 18.907 16.019 ( 31.687 31.687 -9.378) 45.784 21.280 ( -6.083 -6.083 -24.651) 26.109 30.656 ( -1.021 -1.021 22.667) 22.713 30.686 ( 0.725 0.725 23.125) 23.148 33.330 ( -57.560 -57.560 19.550) 83.717 34.229 ( -22.286 -22.286 22.893) 38.954 36.556 ( 1.456 1.456 -2.606) 3.321 39.384 ( 13.757 13.757 -15.195) 24.686 40.245 ( 31.319 31.319 -6.508) 44.767 43.992 ( -1.073 -1.073 -13.169) 13.256 ======================= Grid point 376 (71/189) ======================= q-point: ( 0.18 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 18.027 -4.771 25.877) 31.897 3.511 ( 29.759 21.605 20.064) 41.892 6.129 ( 22.906 11.427 68.146) 72.795 6.942 ( -16.401 -10.556 24.833) 31.577 7.904 ( -17.088 4.071 -0.603) 17.577 8.321 ( 1.336 -12.200 7.996) 14.648 10.525 ( 41.662 24.874 35.217) 59.956 15.285 ( -5.244 11.798 16.396) 20.869 16.895 ( 49.577 12.418 -29.551) 59.037 21.100 ( -11.434 -6.403 -26.017) 29.131 30.551 ( -7.746 1.266 25.789) 26.957 30.761 ( 3.856 -3.428 25.089) 25.614 32.062 ( -57.664 -35.638 35.583) 76.560 33.716 ( -27.301 5.293 8.839) 29.180 36.712 ( 11.934 -8.652 0.257) 14.743 39.302 ( -14.441 -9.011 3.042) 17.291 41.142 ( 46.346 23.797 -22.943) 56.926 43.950 ( -3.280 0.649 -13.072) 13.493 ======================= Grid point 377 (72/189) ======================= q-point: ( 0.27 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( 27.950 -13.035 17.237) 35.330 4.174 ( 34.664 20.630 13.800) 42.634 6.541 ( -22.427 -14.108 14.026) 29.979 6.590 ( 19.486 6.959 53.613) 57.468 7.545 ( -16.468 6.515 8.067) 19.461 8.325 ( -1.578 -8.890 17.923) 20.069 11.446 ( 47.857 22.420 27.542) 59.594 15.100 ( -13.285 14.800 13.749) 24.178 17.898 ( 47.199 1.035 -40.997) 62.527 20.822 ( -15.724 -6.924 -28.262) 33.075 30.343 ( -12.863 -2.914 31.736) 34.368 30.673 ( -17.788 -4.183 41.991) 45.794 31.317 ( -8.872 -8.312 16.747) 20.695 33.150 ( -27.662 4.891 0.202) 28.092 36.990 ( 14.820 -10.682 4.141) 18.732 38.933 ( -20.559 -10.676 6.947) 24.184 41.983 ( 35.905 11.628 -21.276) 43.325 43.852 ( -6.465 1.852 -12.763) 14.426 ======================= Grid point 378 (73/189) ======================= q-point: ( 0.36 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.990 ( 33.284 -18.523 9.529) 39.265 4.889 ( 34.723 18.291 10.536) 40.636 6.025 ( -27.546 -17.956 3.699) 33.089 6.714 ( -12.573 5.853 18.418) 23.055 7.430 ( 9.631 6.926 38.974) 40.739 8.241 ( -6.816 -4.889 27.436) 28.690 12.430 ( 47.972 20.299 20.032) 55.809 14.730 ( -23.302 16.150 11.784) 30.703 18.776 ( 38.771 -4.927 -43.126) 58.201 20.464 ( -19.462 -7.552 -31.471) 37.766 30.062 ( -12.116 -5.184 39.651) 41.784 30.287 ( -15.792 5.791 38.188) 41.728 31.428 ( 12.708 -2.924 7.356) 14.972 32.611 ( -25.011 1.966 -2.666) 25.229 37.308 ( 16.497 -10.781 6.593) 20.781 38.497 ( -21.756 -10.922 8.174) 25.679 42.614 ( 26.671 5.799 -17.575) 32.463 43.683 ( -10.231 2.274 -12.657) 16.433 ======================= Grid point 379 (74/189) ======================= q-point: ( 0.45 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.683 ( 34.125 -20.655 5.205) 40.227 5.318 ( -20.719 -12.621 9.625) 26.100 5.677 ( 21.455 6.918 -0.283) 22.545 6.259 ( -27.905 10.381 6.084) 30.388 7.743 ( 16.701 2.559 43.535) 46.699 8.045 ( -12.484 -1.128 36.357) 38.457 13.362 ( 42.847 18.555 14.437) 48.874 14.147 ( -33.938 17.229 11.716) 39.823 19.476 ( 30.380 -7.448 -40.181) 50.921 20.025 ( -23.953 -7.961 -35.657) 43.687 29.932 ( -0.289 0.793 38.608) 38.617 30.032 ( -9.312 5.290 36.429) 37.971 31.742 ( 17.649 -1.833 2.977) 17.992 32.139 ( -21.351 -0.372 -0.999) 21.377 37.664 ( 18.561 -10.772 7.853) 22.852 38.063 ( -20.651 -10.869 8.350) 24.786 43.084 ( 19.848 3.309 -14.783) 24.969 43.432 ( -14.580 2.480 -13.215) 19.833 ======================= Grid point 387 (75/189) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 6.518 6.518 24.267) 25.959 4.022 ( 28.217 28.217 17.227) 43.464 6.432 ( 16.793 16.793 62.161) 66.544 6.631 ( -19.301 -19.301 10.429) 29.221 7.990 ( -3.048 -3.048 -5.809) 7.234 8.039 ( -7.673 -7.673 28.138) 30.158 11.192 ( 39.101 39.101 28.882) 62.385 15.487 ( 5.403 5.403 15.998) 17.729 17.302 ( 27.306 27.306 -40.395) 55.884 20.910 ( -12.060 -12.060 -27.289) 32.180 30.482 ( -10.700 -10.700 33.159) 36.449 30.727 ( 1.269 1.269 26.441) 26.501 31.384 ( -26.122 -26.122 27.553) 46.085 33.610 ( -15.506 -15.506 12.303) 25.145 36.631 ( 2.048 2.048 -2.927) 4.118 39.029 ( -17.137 -17.137 6.078) 24.986 41.709 ( 29.409 29.409 -21.472) 46.806 43.947 ( -1.411 -1.411 -12.973) 13.126 ======================= Grid point 388 (76/189) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( 18.292 -6.306 18.552) 26.806 4.637 ( 31.574 24.473 15.303) 42.779 6.150 ( -26.594 -23.656 2.426) 35.675 6.776 ( 13.784 10.483 50.290) 53.188 7.701 ( -13.465 8.022 18.423) 24.188 8.101 ( 2.811 -12.177 16.815) 20.950 12.063 ( 45.420 36.722 22.044) 62.430 15.461 ( -8.020 18.186 13.372) 23.956 17.946 ( 34.198 4.358 -45.523) 57.104 20.617 ( -16.585 -13.029 -29.365) 36.154 30.188 ( -14.792 -10.719 40.311) 44.257 30.677 ( -8.899 4.768 31.703) 33.272 31.144 ( 2.738 -8.196 15.029) 17.337 33.163 ( -26.203 -5.428 7.896) 27.900 36.776 ( 11.060 -8.155 -0.728) 13.761 38.634 ( -21.059 -17.983 7.418) 28.669 42.281 ( 26.243 16.638 -18.298) 36.060 43.880 ( -5.404 0.215 -12.343) 13.476 ======================= Grid point 389 (77/189) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( 27.076 -16.753 10.978) 33.679 5.269 ( 26.798 17.444 16.605) 36.030 5.576 ( -26.122 -23.908 -3.433) 35.577 6.845 ( -9.844 6.748 30.983) 33.202 7.595 ( 5.301 8.451 31.612) 33.148 8.110 ( -2.209 -7.641 22.211) 23.593 12.998 ( 45.616 34.184 15.624) 59.106 15.167 ( -20.670 25.164 10.332) 34.164 18.636 ( 32.712 -8.429 -44.507) 55.875 20.241 ( -20.293 -14.129 -32.314) 40.690 29.977 ( -4.924 -2.364 39.649) 40.023 30.436 ( -13.180 8.954 33.503) 37.099 31.342 ( 14.109 -5.608 10.663) 18.553 32.615 ( -26.608 -2.778 3.941) 27.041 37.046 ( 15.079 -13.301 2.645) 20.281 38.195 ( -21.632 -17.931 7.553) 29.095 42.769 ( 21.760 8.934 -15.252) 28.035 43.726 ( -9.697 1.307 -11.786) 15.318 ======================= Grid point 390 (78/189) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.226 ( 31.767 -23.258 4.419) 39.618 4.887 ( -32.587 -25.630 0.805) 41.466 5.926 ( 28.863 14.153 14.953) 35.454 6.471 ( -23.967 10.201 19.744) 32.685 7.802 ( 11.689 2.812 33.603) 35.689 8.007 ( -7.859 -2.647 28.341) 29.530 13.884 ( 40.745 31.561 11.033) 52.706 14.629 ( -31.970 28.833 9.240) 44.031 19.259 ( 28.405 -13.635 -40.643) 51.425 19.791 ( -24.048 -14.766 -36.190) 45.891 29.989 ( 5.604 5.038 37.189) 37.945 30.175 ( -11.793 8.845 35.214) 38.176 31.680 ( 18.873 -4.534 6.833) 20.577 32.106 ( -23.083 -3.379 3.874) 23.649 37.381 ( 17.783 -15.809 5.190) 24.354 37.768 ( -20.166 -17.212 6.787) 27.368 43.169 ( 17.604 4.657 -13.071) 22.415 43.487 ( -13.707 2.471 -11.930) 18.339 ======================= Grid point 399 (79/189) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( 4.602 4.602 17.447) 18.621 5.155 ( 25.929 25.929 18.228) 40.950 5.607 ( -28.843 -28.843 -3.385) 40.930 6.970 ( 6.896 6.896 47.432) 48.424 7.817 ( -1.970 -1.970 45.592) 45.677 7.896 ( -1.839 -1.839 -9.404) 9.757 12.885 ( 42.964 42.964 15.964) 62.822 15.734 ( 6.471 6.471 13.488) 16.299 18.110 ( 12.551 12.551 -49.410) 52.501 20.301 ( -17.827 -17.827 -31.193) 40.108 30.008 ( -5.450 -5.450 40.025) 40.761 30.788 ( 1.674 1.674 31.222) 31.311 31.019 ( -0.496 -0.496 13.933) 13.951 32.913 ( -18.366 -18.366 10.473) 28.005 36.707 ( 1.548 1.548 -2.391) 3.242 38.231 ( -21.038 -21.038 7.313) 30.638 42.628 ( 16.987 16.987 -15.273) 28.467 43.844 ( -3.907 -3.907 -11.390) 12.660 ======================= Grid point 400 (80/189) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( 16.218 -9.547 12.929) 22.833 4.975 ( -31.327 -29.347 -2.030) 42.974 5.702 ( 26.133 19.963 20.600) 38.805 6.968 ( -8.347 4.623 43.235) 44.276 7.750 ( 1.292 6.365 22.449) 23.370 7.950 ( 1.787 -7.497 11.889) 14.169 13.767 ( 42.839 40.227 10.699) 59.732 15.676 ( -12.244 22.605 10.706) 27.848 18.462 ( 21.383 -7.479 -47.587) 52.704 19.901 ( -21.372 -19.091 -33.863) 44.361 29.990 ( 3.692 3.938 37.728) 38.112 30.651 ( -11.476 11.954 31.434) 35.534 31.201 ( 14.672 -8.023 14.331) 22.023 32.469 ( -23.893 -11.683 9.611) 28.280 36.823 ( 9.330 -7.689 -0.502) 12.100 37.801 ( -20.720 -20.077 6.430) 29.560 42.961 ( 15.666 9.679 -12.812) 22.433 43.720 ( -8.140 -2.023 -10.517) 13.452 ======================= Grid point 401 (81/189) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.772 ( 25.198 -20.485 6.689) 33.157 4.342 ( -30.231 -26.958 1.051) 40.518 6.218 ( 24.163 14.316 26.544) 38.644 6.668 ( -19.503 8.987 34.115) 40.311 7.842 ( 5.850 0.907 19.385) 20.269 7.938 ( -2.926 -3.979 16.745) 17.459 14.593 ( 37.543 36.854 7.578) 53.152 15.262 ( -27.492 31.926 7.635) 42.818 18.940 ( 24.681 -17.056 -42.436) 51.969 19.439 ( -23.882 -19.521 -37.583) 48.620 30.142 ( 10.615 9.971 35.728) 38.582 30.392 ( -13.225 12.458 33.736) 38.317 31.552 ( 19.441 -8.124 11.788) 24.144 31.985 ( -22.972 -8.767 9.609) 26.399 37.068 ( 14.448 -13.965 2.337) 20.229 37.402 ( -18.229 -17.853 4.755) 25.955 43.262 ( 13.807 4.305 -11.120) 18.244 43.520 ( -11.420 0.552 -10.343) 15.418 ======================= Grid point 411 (82/189) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 1.929 1.929 12.841) 13.128 4.373 ( -29.011 -29.011 -0.166) 41.028 6.112 ( 19.919 19.919 29.242) 40.604 6.991 ( -3.420 -3.420 53.436) 53.654 7.831 ( -1.348 -1.348 -11.952) 12.103 7.848 ( 1.128 1.128 25.425) 25.475 14.588 ( 39.450 39.450 7.001) 56.228 15.985 ( 5.493 5.493 11.816) 14.141 18.397 ( 2.847 2.847 -50.017) 50.179 19.478 ( -22.142 -22.142 -36.427) 48.036 30.137 ( 10.243 10.243 35.983) 38.789 30.857 ( 1.609 1.609 36.098) 36.170 31.078 ( 2.577 2.577 11.636) 12.194 32.154 ( -18.510 -18.510 12.649) 29.073 36.752 ( 0.656 0.656 -1.000) 1.364 37.405 ( -18.357 -18.357 4.794) 26.399 43.156 ( 9.397 9.397 -10.803) 17.127 43.644 ( -5.382 -5.382 -9.415) 12.107 ======================= Grid point 412 (83/189) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( 14.378 -12.263 9.606) 21.199 3.827 ( -23.955 -22.873 4.493) 33.424 6.500 ( 17.891 13.102 39.022) 44.883 6.819 ( -12.859 5.292 49.642) 51.552 7.830 ( 1.593 -2.223 -2.503) 3.707 7.861 ( -0.828 -2.918 8.096) 8.646 15.330 ( 32.465 34.354 6.117) 47.661 15.856 ( -17.600 24.299 8.909) 31.298 18.605 ( 16.748 -14.389 -46.358) 51.348 19.018 ( -22.432 -21.143 -40.545) 50.933 30.388 ( 13.845 13.915 34.545) 39.733 30.673 ( -13.442 14.741 33.254) 38.779 31.352 ( 18.257 -11.197 15.504) 26.440 31.751 ( -20.388 -14.012 14.312) 28.580 36.843 ( 8.122 -7.682 0.537) 11.192 37.072 ( -14.085 -14.086 2.732) 20.107 43.342 ( 8.767 3.553 -9.471) 13.386 43.509 ( -7.604 -1.451 -8.993) 11.866 ======================= Grid point 423 (84/189) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( 0.370 0.370 10.660) 10.673 3.448 ( -13.496 -13.496 8.537) 20.909 6.734 ( 9.390 9.390 52.210) 53.872 6.856 ( -2.125 -2.125 58.789) 58.866 7.791 ( -0.535 -0.535 -13.343) 13.365 7.812 ( -2.117 -2.117 -5.377) 6.154 15.927 ( 22.349 22.349 8.252) 32.666 16.149 ( 2.204 2.204 11.090) 11.520 18.439 ( 0.058 0.058 -49.566) 49.566 18.621 ( -16.269 -16.269 -45.694) 51.159 30.689 ( 14.951 14.951 34.279) 40.275 30.907 ( 0.689 0.689 39.218) 39.230 31.179 ( 1.736 1.736 11.455) 11.715 31.435 ( -16.277 -16.277 16.447) 28.291 36.766 ( 0.125 0.125 0.227) 0.287 36.847 ( -7.725 -7.725 1.105) 10.981 43.408 ( 3.074 3.074 -8.464) 9.515 43.467 ( -2.594 -2.594 -8.299) 9.073 ======================= Grid point 484 (85/189) ======================= q-point: ( 0.00 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 0.000 0.000 28.962) 28.962 3.157 ( -0.000 -0.000 28.962) 28.962 6.914 ( 0.000 0.000 72.671) 72.671 8.034 ( -0.000 -0.000 -21.618) 21.618 8.034 ( 0.000 0.000 -21.618) 21.618 8.369 ( 0.000 0.000 49.194) 49.194 10.413 ( 0.000 0.000 70.678) 70.678 15.655 ( 0.000 0.000 21.449) 21.449 15.655 ( -0.000 0.000 21.449) 21.449 20.865 ( 0.000 0.000 -31.356) 31.356 31.121 ( 0.000 0.000 23.504) 23.504 31.121 ( -0.000 0.000 23.504) 23.504 34.298 ( 0.000 0.000 10.084) 10.084 36.480 ( 0.000 0.000 -2.208) 2.208 36.480 ( 0.000 0.000 -2.208) 2.208 37.089 ( -0.000 0.000 -14.057) 14.057 40.251 ( -0.000 -0.000 13.683) 13.683 43.730 ( 0.000 0.000 -16.517) 16.517 ======================= Grid point 485 (86/189) ======================= q-point: ( 0.09 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 7.985 0.000 27.192) 28.340 3.279 ( 11.816 0.000 26.340) 28.869 7.028 ( 10.342 0.000 68.610) 69.385 7.770 ( -19.063 0.000 -5.287) 19.782 7.939 ( -8.472 0.000 -16.855) 18.864 8.573 ( 13.095 0.000 33.457) 35.928 10.624 ( 19.820 0.000 64.930) 67.888 15.619 ( -3.698 0.000 20.774) 21.101 15.900 ( 23.036 0.000 13.476) 26.688 20.796 ( -6.686 0.000 -31.608) 32.307 31.102 ( -1.931 0.000 24.197) 24.274 31.155 ( 3.275 0.000 23.262) 23.491 34.070 ( -20.565 0.000 6.112) 21.454 34.865 ( -90.362 0.000 10.830) 91.009 36.624 ( 12.676 0.000 0.889) 12.707 38.483 ( 66.989 0.000 -23.159) 70.879 40.256 ( 3.230 0.000 13.843) 14.215 43.713 ( -1.721 0.000 -16.337) 16.427 ======================= Grid point 486 (87/189) ======================= q-point: ( 0.18 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( 16.031 0.000 22.222) 27.400 3.622 ( 21.408 0.000 19.863) 29.204 7.242 ( 5.409 0.000 41.690) 42.039 7.343 ( -22.643 0.000 -2.660) 22.799 7.775 ( -2.898 0.000 9.469) 9.903 8.812 ( 9.894 0.000 32.653) 34.119 11.169 ( 32.604 0.000 53.239) 62.429 15.496 ( -8.762 0.000 19.023) 20.944 16.527 ( 36.692 0.000 -3.962) 36.905 20.598 ( -12.574 0.000 -32.316) 34.676 31.036 ( -4.792 0.000 25.719) 26.162 31.253 ( 6.304 0.000 22.686) 23.546 33.157 ( -75.350 0.000 22.861) 78.742 33.554 ( -28.139 0.000 -0.159) 28.140 36.929 ( 16.176 0.000 5.378) 17.046 39.275 ( 7.925 0.000 -12.307) 14.638 40.643 ( 37.669 0.000 -1.407) 37.695 43.658 ( -3.781 0.000 -15.839) 16.284 ======================= Grid point 487 (88/189) ======================= q-point: ( 0.27 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.891 ( 23.974 0.000 14.874) 28.213 4.129 ( 27.862 0.000 12.124) 30.386 6.853 ( -25.457 0.000 -2.951) 25.627 7.069 ( -18.882 0.000 -2.647) 19.067 7.970 ( 17.832 0.000 51.637) 54.630 8.963 ( 4.717 0.000 36.113) 36.420 11.908 ( 39.105 0.000 41.016) 56.671 15.249 ( -15.830 0.000 17.009) 23.236 17.321 ( 40.053 0.000 -20.237) 44.875 20.292 ( -17.379 0.000 -33.382) 37.635 30.902 ( -8.400 0.000 26.463) 27.764 31.404 ( 7.796 0.000 24.314) 25.533 31.855 ( -51.444 0.000 23.598) 56.598 32.989 ( -26.213 0.000 -2.939) 26.377 37.260 ( 16.240 0.000 7.859) 18.042 39.127 ( -15.732 0.000 1.110) 15.771 41.493 ( 40.414 0.000 -13.536) 42.620 43.554 ( -6.532 0.000 -15.168) 16.515 ======================= Grid point 488 (89/189) ======================= q-point: ( 0.36 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.441 ( 29.536 0.000 7.216) 30.404 4.735 ( 31.235 0.000 4.853) 31.610 6.307 ( -28.267 0.000 -2.789) 28.404 6.598 ( -26.376 0.000 -6.681) 27.210 8.352 ( 18.291 0.000 53.645) 56.678 8.998 ( -1.382 0.000 40.697) 40.720 12.728 ( 40.792 0.000 30.193) 50.751 14.842 ( -24.281 0.000 15.999) 29.078 18.114 ( 37.183 0.000 -30.462) 48.068 19.895 ( -21.644 0.000 -34.644) 40.849 30.710 ( -9.580 0.000 25.266) 27.021 31.005 ( -29.253 0.000 29.803) 41.761 31.626 ( 10.713 0.000 13.849) 17.509 32.514 ( -20.331 0.000 -0.270) 20.332 37.593 ( 16.739 0.000 8.497) 18.773 38.751 ( -20.090 0.000 5.308) 20.780 42.217 ( 30.642 0.000 -14.977) 34.106 43.385 ( -10.297 0.000 -14.570) 17.842 ======================= Grid point 489 (90/189) ======================= q-point: ( 0.45 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.067 ( 31.478 0.000 0.985) 31.493 5.379 ( 31.329 0.000 -2.527) 31.431 5.708 ( -30.084 0.000 0.222) 30.085 6.019 ( -30.163 0.000 -4.054) 30.434 8.683 ( 13.822 0.000 50.074) 51.947 8.904 ( -7.800 0.000 45.510) 46.174 13.539 ( 38.329 0.000 22.061) 44.224 14.263 ( -32.403 0.000 17.368) 36.764 18.818 ( 31.849 0.000 -34.884) 47.236 19.409 ( -26.351 0.000 -35.582) 44.277 30.561 ( -3.752 0.000 24.086) 24.376 30.612 ( -9.979 0.000 25.490) 27.374 31.868 ( 12.887 0.000 11.095) 17.005 32.154 ( -15.522 0.000 5.622) 16.509 37.948 ( 18.318 0.000 8.088) 20.025 38.339 ( -19.992 0.000 7.107) 21.218 42.749 ( 22.030 0.000 -14.564) 26.409 43.126 ( -15.359 0.000 -14.320) 20.999 ======================= Grid point 496 (91/189) ======================= q-point: ( 0.09 0.09 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 2.707 2.707 26.769) 27.042 3.485 ( 15.256 15.256 23.201) 31.683 7.124 ( 8.034 8.034 61.226) 62.272 7.544 ( -16.044 -16.044 0.707) 22.701 7.952 ( -3.330 -3.330 -16.706) 17.358 8.639 ( 6.224 6.224 35.728) 36.796 10.828 ( 19.310 19.310 59.922) 65.851 15.698 ( 2.095 2.095 20.488) 20.701 16.012 ( 15.737 15.737 6.249) 23.116 20.727 ( -6.767 -6.767 -31.842) 33.249 31.115 ( -0.375 -0.375 23.722) 23.728 31.156 ( 1.695 1.695 24.343) 24.461 33.535 ( -44.440 -44.440 5.509) 63.089 34.651 ( -26.282 -26.282 18.616) 41.570 36.505 ( 1.215 1.215 -2.522) 3.052 38.994 ( 31.970 31.970 -21.484) 50.058 40.328 ( 10.976 10.976 10.909) 18.972 43.704 ( -0.972 -0.972 -16.228) 16.286 ======================= Grid point 497 (92/189) ======================= q-point: ( 0.18 0.09 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( 11.724 -4.632 22.892) 26.133 3.877 ( 23.094 18.199 17.274) 34.102 7.046 ( -20.286 -17.455 -4.190) 27.088 7.425 ( 5.039 8.609 49.559) 50.553 7.831 ( -4.080 2.664 -0.199) 4.877 8.789 ( 7.537 -1.583 36.820) 37.617 11.363 ( 32.038 18.343 49.326) 61.611 15.627 ( -7.844 11.360 18.123) 22.782 16.548 ( 33.713 2.957 -8.223) 34.827 20.526 ( -12.734 -7.008 -32.497) 35.599 31.057 ( -4.953 1.699 25.461) 25.994 31.244 ( 6.144 -0.729 24.107) 24.888 32.518 ( -50.964 -39.822 13.465) 66.064 33.936 ( -38.541 13.980 12.758) 42.937 36.725 ( 16.358 -14.470 1.102) 21.867 39.279 ( -3.671 -2.544 -6.017) 7.493 40.855 ( 37.607 20.235 -5.934) 43.116 43.666 ( -2.883 0.642 -15.805) 16.078 ======================= Grid point 498 (93/189) ======================= q-point: ( 0.27 0.09 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.689 ( 20.102 -11.510 16.157) 28.242 4.411 ( 28.872 19.598 10.427) 36.419 6.555 ( -26.554 -21.114 -7.241) 34.690 7.281 ( -17.361 12.926 3.812) 21.978 7.998 ( 16.733 2.025 47.591) 50.488 8.915 ( 4.286 -4.315 38.699) 39.174 12.089 ( 38.538 17.340 37.925) 56.782 15.391 ( -15.550 13.323 15.669) 25.784 17.293 ( 38.053 -2.665 -22.064) 44.068 20.216 ( -17.596 -7.388 -33.472) 38.530 30.909 ( -9.699 0.090 26.479) 28.200 31.381 ( 3.979 -3.012 29.164) 29.588 31.612 ( -32.900 -16.776 14.078) 39.523 33.195 ( -33.209 14.050 4.546) 36.345 37.079 ( 17.726 -15.465 4.953) 24.040 39.033 ( -17.379 -9.258 2.723) 19.879 41.636 ( 36.382 13.066 -13.375) 40.906 43.578 ( -5.958 2.046 -15.064) 16.328 ======================= Grid point 499 (94/189) ======================= q-point: ( 0.36 0.09 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.168 ( 26.517 -17.281 8.431) 32.754 5.031 ( 31.513 19.720 3.987) 37.388 5.985 ( -29.210 -22.566 -5.262) 37.285 6.843 ( -24.645 15.380 -2.215) 29.134 8.356 ( 17.121 0.053 51.380) 54.157 8.950 ( -1.005 -4.479 41.686) 41.938 12.898 ( 40.237 16.309 27.703) 51.502 14.989 ( -24.071 14.011 14.411) 31.359 18.053 ( 35.993 -5.923 -30.954) 47.841 19.815 ( -21.833 -7.811 -34.614) 41.663 30.685 ( -10.687 -2.945 24.965) 27.316 30.981 ( -21.052 -0.544 27.934) 34.983 31.625 ( 11.033 -0.202 15.070) 18.678 32.608 ( -24.425 7.622 3.025) 25.764 37.440 ( 17.864 -13.925 6.751) 23.635 38.637 ( -20.666 -10.829 5.742) 24.028 42.296 ( 28.438 7.352 -14.298) 32.669 43.417 ( -10.037 2.824 -14.300) 17.698 ======================= Grid point 500 (95/189) ======================= q-point: ( 0.45 0.09 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.748 ( 29.946 -21.218 1.451) 36.729 5.364 ( -29.524 -22.449 -5.570) 37.506 5.684 ( 30.272 18.626 3.122) 35.681 6.296 ( -28.865 17.550 -1.467) 33.813 8.665 ( 12.839 -1.933 48.787) 50.485 8.869 ( -7.055 -3.503 45.234) 45.915 13.699 ( 37.866 15.339 19.984) 45.480 14.415 ( -32.088 14.575 15.566) 38.528 18.740 ( 31.349 -7.555 -34.839) 47.472 19.326 ( -26.323 -8.015 -35.455) 44.880 30.556 ( -0.780 0.408 24.031) 24.047 30.661 ( -10.718 4.295 25.403) 27.904 31.876 ( 13.643 0.674 12.099) 18.247 32.188 ( -17.442 2.909 7.072) 19.044 37.813 ( 19.014 -12.585 7.211) 23.914 38.216 ( -20.468 -11.668 6.898) 24.549 42.798 ( 21.114 4.508 -13.980) 25.721 43.164 ( -15.046 3.362 -13.883) 20.747 ======================= Grid point 508 (96/189) ======================= q-point: ( 0.18 0.18 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( 3.357 3.357 21.591) 22.107 4.312 ( 24.284 24.284 12.645) 36.597 6.609 ( -24.627 -24.627 -9.080) 35.992 7.654 ( 11.167 11.167 61.009) 63.020 7.813 ( -3.235 -3.235 -12.024) 12.865 8.779 ( 0.978 0.978 43.201) 43.223 11.875 ( 30.899 30.899 40.491) 59.573 15.825 ( 4.087 4.087 18.122) 19.021 16.726 ( 16.907 16.907 -20.095) 31.233 20.319 ( -13.200 -13.200 -32.994) 37.909 31.051 ( -4.713 -4.713 26.200) 27.035 31.254 ( 3.045 3.045 26.764) 27.109 31.768 ( -31.089 -31.089 12.259) 45.644 33.901 ( -17.248 -17.248 16.470) 29.432 36.573 ( 2.052 2.052 -2.871) 4.082 39.110 ( -13.651 -13.651 1.604) 19.372 41.383 ( 29.167 29.167 -11.178) 42.736 43.668 ( -0.898 -0.898 -15.420) 15.472 ======================= Grid point 509 (97/189) ======================= q-point: ( 0.27 0.18 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.506 ( 12.154 -5.982 17.234) 21.921 4.853 ( 28.447 23.531 7.419) 37.656 6.068 ( -28.041 -26.128 -7.799) 39.113 7.541 ( -15.534 12.312 4.432) 20.311 8.012 ( 15.957 -1.358 42.879) 45.772 8.817 ( 1.963 -4.504 44.762) 45.031 12.578 ( 37.336 29.659 30.536) 56.622 15.737 ( -11.781 18.648 14.361) 26.321 17.228 ( 30.182 -2.806 -28.307) 41.474 19.998 ( -18.215 -13.914 -33.713) 40.767 30.835 ( -14.251 -8.913 26.302) 31.215 31.270 ( -10.537 -2.662 25.333) 27.566 31.423 ( 4.405 -3.477 16.343) 17.280 33.366 ( -31.367 0.073 12.435) 33.742 36.765 ( 14.499 -12.172 -0.352) 18.934 38.761 ( -19.772 -17.002 5.147) 26.580 41.970 ( 27.621 18.545 -12.834) 35.659 43.615 ( -4.552 1.001 -14.496) 15.227 ======================= Grid point 510 (98/189) ======================= q-point: ( 0.36 0.18 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.837 ( 20.121 -14.595 10.753) 27.083 5.398 ( 2.923 -1.560 -8.700) 9.309 5.536 ( -2.192 -3.212 7.117) 8.110 7.151 ( -22.239 14.808 0.737) 26.728 8.331 ( 14.726 -3.283 45.921) 48.336 8.832 ( -0.956 -6.586 44.493) 44.988 13.361 ( 38.959 28.289 21.504) 52.730 15.381 ( -22.708 23.519 11.180) 34.551 17.876 ( 32.354 -11.250 -32.860) 47.467 19.584 ( -22.380 -14.701 -34.540) 43.704 30.607 ( -6.246 -3.334 23.958) 24.983 31.032 ( -12.104 5.424 25.345) 28.606 31.613 ( 11.676 -1.094 18.556) 21.952 32.741 ( -28.318 3.658 9.224) 30.007 37.102 ( 17.912 -17.187 2.943) 24.998 38.334 ( -21.631 -18.232 6.343) 28.992 42.489 ( 23.234 10.923 -12.863) 28.716 43.477 ( -9.134 2.427 -13.429) 16.421 ======================= Grid point 511 (99/189) ======================= q-point: ( 0.45 0.18 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.309 ( 25.846 -21.202 3.799) 33.645 4.869 ( -28.779 -25.203 -2.562) 38.341 6.078 ( 29.354 19.662 2.770) 35.439 6.651 ( -26.671 17.267 0.983) 31.788 8.594 ( 10.860 -5.366 45.402) 46.991 8.765 ( -5.822 -6.591 44.680) 45.537 14.136 ( 36.674 26.833 14.757) 47.779 14.830 ( -31.056 25.397 11.211) 41.655 18.515 ( 30.018 -14.423 -34.938) 48.268 19.089 ( -26.306 -15.135 -35.180) 46.462 30.600 ( 5.143 4.247 23.867) 24.781 30.782 ( -11.695 7.648 25.232) 28.843 31.884 ( 15.139 -0.203 15.031) 21.334 32.243 ( -20.680 1.729 10.795) 23.392 37.483 ( 19.569 -18.462 5.088) 27.380 37.897 ( -21.078 -18.627 6.202) 28.805 42.914 ( 18.529 6.366 -12.614) 23.302 43.243 ( -13.851 3.895 -12.734) 19.215 ======================= Grid point 520 (100/189) ======================= q-point: ( 0.27 0.27 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.463 ( 2.100 2.100 16.226) 16.495 5.330 ( 15.363 15.363 -2.481) 21.868 5.541 ( -17.531 -17.531 1.437) 24.835 7.692 ( -2.754 -2.754 -11.281) 11.935 7.997 ( 4.800 4.800 54.268) 54.691 8.750 ( -2.262 -2.262 48.129) 48.235 13.255 ( 36.008 36.008 21.881) 55.426 16.021 ( 5.338 5.338 15.455) 17.201 17.260 ( 8.755 8.755 -37.451) 39.445 19.659 ( -19.139 -19.139 -34.057) 43.502 30.642 ( -7.073 -7.073 24.081) 26.076 31.291 ( -0.902 -0.902 14.538) 14.594 31.397 ( 3.819 3.819 30.277) 30.755 33.169 ( -18.301 -18.301 15.227) 30.029 36.661 ( 2.107 2.107 -2.255) 3.737 38.367 ( -21.057 -21.057 6.380) 30.455 42.355 ( 18.729 18.729 -12.117) 29.126 43.600 ( -2.785 -2.785 -13.350) 13.919 ======================= Grid point 521 (101/189) ======================= q-point: ( 0.36 0.27 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( 11.156 -8.365 12.609) 18.800 4.908 ( -27.827 -27.148 -4.685) 39.158 5.932 ( 27.133 23.131 5.450) 36.069 7.438 ( -18.570 12.809 -1.475) 22.608 8.204 ( 12.157 -8.936 44.179) 46.684 8.702 ( -3.084 -6.124 46.440) 46.943 14.009 ( 37.455 34.547 14.069) 52.861 15.888 ( -16.924 24.363 10.304) 31.404 17.618 ( 24.408 -13.025 -37.819) 46.858 19.227 ( -23.211 -20.145 -34.502) 46.205 30.597 ( 2.743 2.886 23.244) 23.583 31.181 ( -8.352 8.707 21.674) 24.806 31.576 ( 11.715 -2.578 24.613) 27.380 32.707 ( -24.762 -7.441 14.595) 29.691 36.817 ( 12.073 -9.560 -0.179) 15.401 37.927 ( -21.725 -21.048 6.259) 30.890 42.720 ( 16.996 11.426 -11.463) 23.469 43.497 ( -7.333 -0.710 -12.089) 14.157 ======================= Grid point 522 (102/189) ======================= q-point: ( 0.45 0.27 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.910 ( 19.256 -17.374 7.099) 26.889 4.365 ( -25.017 -23.760 1.036) 34.518 6.482 ( 26.603 20.091 3.580) 33.529 7.000 ( -23.926 16.961 2.089) 29.402 8.436 ( 10.174 -10.251 42.244) 44.645 8.606 ( -6.490 -8.899 43.725) 45.091 14.753 ( 35.016 32.836 8.622) 48.771 15.409 ( -28.839 30.450 6.909) 42.505 18.164 ( 27.931 -19.656 -35.963) 49.597 18.721 ( -26.375 -20.728 -35.078) 48.536 30.737 ( 10.239 9.221 23.837) 27.533 30.972 ( -11.775 10.849 24.316) 29.114 31.855 ( 15.846 -2.974 19.627) 25.400 32.230 ( -21.239 -3.529 15.632) 26.606 37.118 ( 17.087 -16.239 2.708) 23.728 37.499 ( -20.125 -19.611 4.970) 28.536 43.041 ( 14.520 5.932 -11.094) 19.212 43.306 ( -11.348 2.027 -11.264) 16.117 ======================= Grid point 532 (103/189) ======================= q-point: ( 0.36 0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( 0.539 0.539 12.638) 12.661 4.375 ( -24.660 -24.660 0.164) 34.875 6.412 ( 23.880 23.880 4.641) 34.088 7.590 ( -2.195 -2.195 -12.322) 12.707 8.055 ( -1.009 -1.009 54.259) 54.277 8.571 ( -7.127 -7.127 44.564) 45.689 14.732 ( 35.767 35.767 7.600) 51.150 16.235 ( 4.807 4.807 13.361) 14.991 17.458 ( 1.769 1.769 -45.245) 45.314 18.775 ( -24.087 -24.087 -34.730) 48.647 30.728 ( 9.714 9.714 23.299) 27.048 31.328 ( 2.003 2.003 14.202) 14.482 31.549 ( 3.389 3.389 33.797) 34.135 32.454 ( -16.382 -16.382 17.794) 29.212 36.735 ( 1.465 1.465 -0.628) 2.164 37.504 ( -20.010 -20.010 5.228) 28.778 42.946 ( 10.660 10.660 -10.404) 18.317 43.444 ( -4.440 -4.440 -10.763) 12.461 ======================= Grid point 533 (104/189) ======================= q-point: ( 0.45 0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( 10.361 -10.008 10.070) 17.576 3.927 ( -18.874 -18.695 5.448) 27.118 6.893 ( 23.079 20.111 3.460) 30.807 7.332 ( -19.256 15.054 -1.273) 24.475 8.190 ( 10.479 -13.106 44.517) 47.574 8.401 ( -9.607 -11.291 42.321) 44.842 15.436 ( 32.650 33.433 4.137) 46.914 16.017 ( -22.806 27.576 6.632) 36.394 17.744 ( 22.854 -20.313 -40.083) 50.414 18.259 ( -26.164 -24.256 -35.900) 50.614 30.967 ( 12.925 13.014 23.497) 29.808 31.214 ( -10.401 12.575 21.216) 26.766 31.758 ( 14.494 -6.444 25.990) 30.448 32.093 ( -17.957 -9.759 20.596) 29.015 36.859 ( 10.207 -8.674 1.079) 13.438 37.132 ( -16.225 -15.832 3.359) 22.917 43.150 ( 9.365 4.729 -9.840) 14.384 43.322 ( -7.400 -0.392 -9.941) 12.400 ======================= Grid point 544 (105/189) ======================= q-point: ( 0.45 0.45 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( -0.041 -0.041 11.114) 11.114 3.627 ( -10.324 -10.324 9.342) 17.334 7.286 ( 17.808 17.808 -0.804) 25.197 7.524 ( -0.888 -0.888 -13.413) 13.471 7.996 ( -1.141 -1.141 56.597) 56.620 8.156 ( -12.187 -12.187 44.889) 48.084 16.068 ( 26.998 26.998 4.998) 38.507 16.380 ( 1.980 1.980 12.226) 12.543 17.476 ( -0.157 -0.157 -47.879) 47.879 17.765 ( -22.896 -22.896 -40.061) 51.511 31.242 ( 13.171 13.171 21.206) 28.225 31.416 ( 1.673 1.673 12.582) 12.803 31.650 ( 1.381 1.381 35.996) 36.049 31.853 ( -12.979 -12.979 26.166) 31.962 36.776 ( 0.511 0.511 0.822) 1.094 36.875 ( -9.037 -9.037 1.778) 12.904 43.234 ( 3.551 3.551 -9.136) 10.425 43.294 ( -2.260 -2.260 -9.164) 9.705 ======================= Grid point 605 (106/189) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( 0.000 -0.000 24.086) 24.086 3.674 ( -0.000 -0.000 24.086) 24.086 7.589 ( 0.000 0.000 -23.521) 23.521 7.589 ( -0.000 0.000 -23.521) 23.521 8.220 ( 0.000 -0.000 60.397) 60.397 9.267 ( 0.000 0.000 41.769) 41.769 11.832 ( -0.000 -0.000 73.638) 73.638 16.069 ( -0.000 -0.000 20.330) 20.330 16.069 ( -0.000 0.000 20.330) 20.330 20.177 ( 0.000 0.000 -38.890) 38.890 31.570 ( 0.000 0.000 21.894) 21.894 31.570 ( 0.000 0.000 21.894) 21.894 34.519 ( 0.000 0.000 12.462) 12.462 36.440 ( 0.000 -0.000 -1.787) 1.787 36.440 ( -0.000 -0.000 -1.787) 1.787 36.795 ( 0.000 0.000 -15.852) 15.852 40.544 ( 0.000 -0.000 16.279) 16.279 43.380 ( 0.000 0.000 -19.135) 19.135 ======================= Grid point 606 (107/189) ======================= q-point: ( 0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.724 ( 4.973 0.000 22.610) 23.151 3.753 ( 7.743 0.000 22.205) 23.516 7.455 ( -12.454 0.000 -20.867) 24.301 7.483 ( -9.547 0.000 -20.117) 22.268 8.348 ( 11.586 0.000 57.003) 58.169 9.354 ( 7.750 0.000 39.834) 40.581 11.953 ( 11.734 0.000 69.964) 70.941 16.021 ( -4.792 0.000 19.844) 20.415 16.195 ( 12.119 0.000 15.755) 19.877 20.107 ( -6.882 0.000 -38.844) 39.449 31.562 ( -0.992 0.000 22.282) 22.305 31.598 ( 2.653 0.000 21.526) 21.689 34.204 ( -27.208 0.000 7.539) 28.234 34.994 ( -78.357 0.000 3.197) 78.422 36.655 ( 17.831 0.000 2.330) 17.983 38.068 ( 60.556 0.000 -19.460) 63.606 40.555 ( 2.425 0.000 16.631) 16.807 43.367 ( -1.269 0.000 -18.843) 18.885 ======================= Grid point 607 (108/189) ======================= q-point: ( 0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( 10.397 0.000 18.408) 21.141 3.984 ( 14.805 0.000 17.080) 22.603 7.121 ( -19.554 0.000 -16.465) 25.563 7.228 ( -15.233 0.000 -16.965) 22.801 8.649 ( 17.107 0.000 53.843) 56.495 9.539 ( 9.464 0.000 37.687) 38.857 12.293 ( 21.145 0.000 60.611) 64.194 15.868 ( -10.406 0.000 18.676) 21.379 16.543 ( 21.481 0.000 4.198) 21.887 19.904 ( -12.882 0.000 -38.661) 40.751 31.514 ( -4.338 0.000 22.586) 22.999 31.673 ( 4.483 0.000 19.838) 20.338 33.487 ( -67.882 0.000 12.095) 68.951 33.567 ( -32.462 0.000 1.562) 32.500 37.050 ( 19.456 0.000 6.989) 20.673 38.955 ( 23.369 0.000 -18.773) 29.975 40.758 ( 20.476 0.000 11.333) 23.402 43.326 ( -2.936 0.000 -17.969) 18.208 ======================= Grid point 608 (109/189) ======================= q-point: ( 0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.152 ( 16.520 0.000 11.803) 20.303 4.345 ( 20.399 0.000 9.855) 22.655 6.683 ( -23.146 0.000 -12.414) 26.265 6.871 ( -19.690 0.000 -13.847) 24.072 9.013 ( 18.075 0.000 51.075) 54.179 9.709 ( 6.752 0.000 37.728) 38.327 12.792 ( 27.465 0.000 48.793) 55.992 15.591 ( -16.970 0.000 17.672) 24.501 17.041 ( 26.858 0.000 -9.637) 28.534 19.591 ( -17.648 0.000 -38.210) 42.089 31.360 ( -11.083 0.000 19.742) 22.640 31.736 ( -2.503 0.000 11.086) 11.365 32.323 ( -41.676 0.000 23.307) 47.751 32.975 ( -24.208 0.000 1.718) 24.269 37.422 ( 17.139 0.000 8.723) 19.231 39.070 ( -7.355 0.000 -7.012) 10.162 41.345 ( 33.129 0.000 -1.605) 33.168 43.242 ( -5.462 0.000 -16.589) 17.465 ======================= Grid point 609 (110/189) ======================= q-point: ( 0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.545 ( 21.784 0.000 3.504) 22.064 4.796 ( 23.324 0.000 1.212) 23.355 6.194 ( -24.448 0.000 -7.369) 25.534 6.435 ( -22.927 0.000 -9.346) 24.759 9.359 ( 15.383 0.000 48.095) 50.495 9.798 ( 1.743 0.000 39.440) 39.479 13.390 ( 30.831 0.000 37.174) 48.295 15.178 ( -23.581 0.000 18.090) 29.720 17.610 ( 28.552 0.000 -21.691) 35.857 19.192 ( -21.507 0.000 -37.186) 42.958 31.088 ( -14.086 0.000 12.837) 19.058 31.306 ( -27.699 0.000 4.904) 28.130 32.071 ( 4.858 0.000 27.880) 28.300 32.599 ( -13.424 0.000 9.058) 16.195 37.756 ( 16.108 0.000 8.179) 18.065 38.805 ( -16.554 0.000 0.042) 16.554 41.987 ( 28.702 0.000 -8.203) 29.851 43.095 ( -9.250 0.000 -14.899) 17.537 ======================= Grid point 610 (111/189) ======================= q-point: ( 0.45 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.011 ( 22.630 0.000 -6.276) 23.484 5.223 ( 12.491 0.000 -11.820) 17.197 5.753 ( -12.928 0.000 3.442) 13.379 5.960 ( -22.617 0.000 -2.003) 22.706 9.623 ( 10.352 0.000 45.035) 46.209 9.773 ( -4.288 0.000 42.051) 42.269 14.027 ( 31.280 0.000 27.603) 41.717 14.642 ( -28.738 0.000 21.173) 35.695 18.184 ( 27.529 0.000 -30.081) 40.776 18.719 ( -24.881 0.000 -34.874) 42.839 30.868 ( -5.710 0.000 7.843) 9.701 30.909 ( -10.540 0.000 6.350) 12.305 32.213 ( 7.949 0.000 22.618) 23.974 32.383 ( -8.893 0.000 16.963) 19.153 38.090 ( 16.932 0.000 6.348) 18.083 38.447 ( -17.992 0.000 3.783) 18.386 42.495 ( 21.214 0.000 -11.145) 23.963 42.856 ( -14.511 0.000 -13.105) 19.552 ======================= Grid point 617 (112/189) ======================= q-point: ( 0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.697 ( 1.020 1.020 22.513) 22.560 3.901 ( 10.852 10.852 19.332) 24.683 7.188 ( -16.679 -16.679 -18.766) 30.142 7.575 ( -0.665 -0.665 -20.987) 21.009 8.426 ( 8.075 8.075 57.181) 58.310 9.417 ( 5.737 5.737 39.366) 40.194 12.075 ( 11.740 11.740 66.385) 68.429 16.095 ( 1.298 1.298 19.575) 19.661 16.196 ( 5.687 5.687 11.304) 13.873 20.035 ( -6.920 -6.920 -38.770) 39.986 31.565 ( -0.311 -0.311 21.706) 21.711 31.618 ( 2.314 2.314 22.345) 22.583 33.613 ( -44.128 -44.128 3.065) 62.481 34.953 ( -21.649 -21.649 12.620) 33.115 36.459 ( 0.973 0.973 -2.078) 2.492 38.598 ( 35.010 35.010 -18.608) 52.892 40.598 ( 5.803 5.803 15.944) 17.932 43.362 ( -0.614 -0.614 -18.602) 18.622 ======================= Grid point 618 (113/189) ======================= q-point: ( 0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( 6.964 -4.398 19.476) 21.146 4.183 ( 16.848 14.057 13.911) 25.980 6.804 ( -20.878 -19.698 -16.344) 33.031 7.445 ( -11.422 9.416 -16.772) 22.371 8.671 ( 15.228 2.555 53.843) 56.014 9.559 ( 7.542 2.007 38.794) 39.571 12.414 ( 21.130 11.735 57.259) 62.151 15.974 ( -10.173 9.898 16.779) 21.977 16.502 ( 20.694 -3.805 2.216) 21.157 19.831 ( -12.955 -7.030 -38.502) 41.227 31.527 ( -4.048 0.995 22.099) 22.488 31.691 ( 4.444 1.826 21.118) 21.658 32.680 ( -44.147 -41.660 4.917) 60.899 34.179 ( -45.106 20.906 11.498) 51.028 36.756 ( 21.026 -21.132 2.073) 29.882 39.081 ( 9.148 6.893 -13.014) 17.337 40.888 ( 23.761 13.271 7.991) 28.365 43.337 ( -2.065 0.890 -17.804) 17.945 ======================= Grid point 619 (114/189) ======================= q-point: ( 0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( 13.216 -9.771 13.753) 21.431 4.579 ( 21.759 16.115 6.674) 27.887 6.351 ( -23.318 -21.123 -12.205) 33.747 7.139 ( -18.162 14.759 -12.571) 26.566 9.007 ( 17.006 -0.635 50.186) 52.993 9.698 ( 5.562 -0.949 39.075) 39.480 12.913 ( 27.376 11.644 45.720) 54.547 15.699 ( -16.939 10.354 15.436) 25.147 16.987 ( 26.256 -5.373 -10.333) 28.724 19.517 ( -17.739 -7.198 -37.914) 42.473 31.355 ( -13.948 -1.590 18.165) 22.957 31.712 ( -10.733 -4.143 8.110) 14.076 32.000 ( -12.747 -17.069 23.415) 31.656 33.325 ( -36.394 21.896 8.455) 43.307 37.182 ( 20.007 -20.493 5.453) 29.154 39.025 ( -11.455 -5.393 -3.553) 13.150 41.477 ( 31.056 12.231 -2.767) 33.492 43.269 ( -4.800 2.364 -16.418) 17.268 ======================= Grid point 620 (115/189) ======================= q-point: ( 0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.312 ( 18.965 -14.693 6.215) 24.783 5.039 ( 21.766 14.969 -3.248) 26.615 5.880 ( -21.400 -19.027 -4.475) 28.983 6.722 ( -22.541 17.226 -8.793) 29.701 9.335 ( 14.724 -2.423 47.228) 49.530 9.769 ( 1.183 -2.681 40.319) 40.426 13.508 ( 30.652 11.385 34.379) 47.446 15.286 ( -23.525 10.457 15.741) 30.175 17.545 ( 28.098 -6.419 -21.565) 35.997 19.116 ( -21.563 -7.358 -36.726) 43.219 31.021 ( -14.906 -5.777 9.180) 18.435 31.332 ( -19.420 2.806 10.812) 22.404 32.051 ( 7.778 -0.883 25.485) 26.661 32.747 ( -20.624 11.868 11.162) 26.283 37.568 ( 18.327 -16.970 6.332) 25.767 38.710 ( -18.123 -9.356 1.530) 20.452 42.074 ( 26.755 8.012 -8.140) 29.090 43.132 ( -8.867 3.336 -14.659) 17.454 ======================= Grid point 621 (116/189) ======================= q-point: ( 0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.739 ( 22.452 -18.157 -2.230) 28.961 5.171 ( -15.791 -13.974 -12.422) 24.473 5.768 ( 17.224 11.399 4.349) 21.108 6.236 ( -24.731 17.836 -3.962) 30.748 9.590 ( 10.063 -3.311 44.618) 45.858 9.738 ( -4.384 -3.407 42.263) 42.626 14.141 ( 31.075 11.002 25.030) 41.390 14.752 ( -28.593 10.652 18.738) 35.807 18.112 ( 27.269 -7.089 -29.559) 40.836 18.644 ( -24.813 -7.376 -34.292) 42.966 30.854 ( -0.696 0.489 7.297) 7.346 30.987 ( -13.009 5.984 8.855) 16.836 32.227 ( 9.287 1.329 22.161) 24.065 32.434 ( -11.706 4.513 17.375) 21.431 37.940 ( 18.490 -13.940 5.682) 23.843 38.325 ( -19.227 -11.612 4.144) 22.841 42.552 ( 20.255 5.311 -10.848) 23.583 42.900 ( -14.100 4.058 -12.804) 19.473 ======================= Grid point 629 (117/189) ======================= q-point: ( 0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.740 ( 0.876 0.876 18.485) 18.526 4.519 ( 18.854 18.854 8.519) 27.992 6.370 ( -22.580 -22.580 -13.876) 34.817 7.535 ( -1.381 -1.381 -15.979) 16.098 8.775 ( 8.046 8.046 52.698) 53.913 9.616 ( 3.265 3.265 40.609) 40.871 12.753 ( 21.073 21.073 48.669) 57.068 16.179 ( 2.866 2.866 17.626) 18.086 16.459 ( 6.223 6.223 -8.438) 12.192 19.624 ( -13.166 -13.166 -37.985) 42.303 31.515 ( -4.710 -4.710 20.988) 22.020 31.753 ( 4.231 4.231 23.747) 24.489 31.916 ( -29.987 -29.987 4.291) 42.625 34.221 ( -17.775 -17.775 15.679) 29.626 36.521 ( 2.058 2.058 -2.405) 3.775 39.083 ( -7.213 -7.213 -4.120) 11.002 41.282 ( 23.961 23.961 0.641) 33.892 43.349 ( -0.067 -0.067 -17.099) 17.099 ======================= Grid point 630 (118/189) ======================= q-point: ( 0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( 7.133 -5.830 14.832) 17.461 4.933 ( 20.862 17.886 0.746) 27.490 5.906 ( -22.099 -21.641 -7.812) 31.902 7.387 ( -12.574 8.784 -12.356) 19.696 8.992 ( 12.624 -0.493 49.101) 50.701 9.677 ( 2.372 -1.022 41.636) 41.716 13.249 ( 27.146 20.891 37.759) 50.981 15.994 ( -16.092 17.964 10.911) 26.471 16.823 ( 23.986 -10.598 -13.280) 29.393 19.305 ( -18.006 -13.484 -37.003) 43.304 31.197 ( -20.102 -13.808 10.379) 26.504 31.599 ( -6.825 -1.656 14.616) 16.216 31.881 ( 7.500 1.211 24.871) 26.006 33.628 ( -34.697 5.027 13.842) 37.693 36.763 ( 17.887 -16.425 0.124) 24.284 38.825 ( -16.919 -14.135 1.373) 22.089 41.795 ( 25.288 17.873 -4.856) 31.345 43.319 ( -3.222 1.955 -15.683) 16.129 ======================= Grid point 631 (119/189) ======================= q-point: ( 0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.032 ( 13.622 -12.346 9.039) 20.486 5.169 ( -8.597 -9.801 -13.043) 18.441 5.669 ( 9.749 6.201 5.758) 12.909 7.051 ( -19.900 14.600 -8.482) 26.098 9.256 ( 12.669 -5.321 45.912) 47.924 9.697 ( -0.762 -4.322 42.162) 42.389 13.837 ( 30.195 20.468 27.023) 45.398 15.589 ( -23.311 18.892 9.668) 31.524 17.349 ( 26.975 -12.862 -21.212) 36.647 18.899 ( -21.759 -13.815 -35.348) 43.747 30.910 ( -7.118 -3.764 8.134) 11.446 31.420 ( -11.777 5.634 15.404) 20.192 32.055 ( 9.397 1.182 24.323) 26.102 32.973 ( -27.494 8.267 14.092) 31.982 37.159 ( 20.228 -20.738 2.853) 29.110 38.435 ( -20.724 -17.150 3.846) 27.173 42.282 ( 22.156 11.675 -8.063) 26.310 43.208 ( -7.776 3.533 -13.834) 16.258 ======================= Grid point 632 (120/189) ======================= q-point: ( 0.45 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.367 ( 19.046 -17.760 2.053) 26.122 4.789 ( -21.767 -20.778 -5.523) 30.594 6.094 ( 24.935 18.239 -0.256) 30.895 6.599 ( -24.021 17.440 -4.849) 30.078 9.486 ( 9.602 -6.922 43.951) 45.517 9.638 ( -5.170 -6.385 42.809) 43.591 14.459 ( 30.537 19.843 18.160) 40.694 15.061 ( -28.206 19.261 12.217) 36.274 17.899 ( 26.730 -13.731 -27.991) 41.067 18.425 ( -24.733 -13.974 -32.568) 43.217 30.910 ( 6.633 5.228 8.835) 12.222 31.139 ( -14.343 8.833 11.774) 20.551 32.263 ( 11.265 1.957 22.198) 24.969 32.534 ( -16.379 4.487 18.236) 24.918 37.576 ( 20.747 -20.387 4.254) 29.397 38.004 ( -21.325 -18.988 4.599) 28.922 42.688 ( 17.715 7.490 -10.161) 21.753 42.999 ( -12.801 5.078 -11.961) 18.241 ======================= Grid point 641 (121/189) ======================= q-point: ( 0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.758 ( -0.017 -0.017 13.818) 13.818 5.152 ( -6.108 -6.108 -12.121) 14.884 5.632 ( 4.649 4.649 5.299) 8.445 7.461 ( -2.226 -2.226 -12.171) 12.571 9.015 ( 3.421 3.421 48.586) 48.826 9.651 ( -1.762 -1.762 43.092) 43.164 13.740 ( 26.777 26.777 27.523) 46.814 16.324 ( 4.147 4.147 15.203) 16.295 16.637 ( 2.176 2.176 -26.493) 26.671 18.978 ( -18.418 -18.418 -35.418) 43.965 30.951 ( -8.036 -8.036 8.803) 14.375 31.603 ( -0.142 -0.142 16.584) 16.585 31.951 ( 5.266 5.266 25.897) 26.946 33.485 ( -17.764 -17.764 16.507) 30.060 36.621 ( 2.709 2.709 -1.793) 4.229 38.472 ( -19.942 -19.942 4.208) 28.514 42.169 ( 18.286 18.286 -6.667) 26.706 43.329 ( -1.347 -1.347 -14.243) 14.369 ======================= Grid point 642 (122/189) ======================= q-point: ( 0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.827 ( 6.894 -7.423 10.616) 14.674 4.795 ( -21.477 -21.543 -6.809) 31.172 5.990 ( 23.055 20.122 1.580) 30.642 7.293 ( -13.716 8.520 -9.549) 18.759 9.136 ( 8.068 -5.647 46.582) 47.611 9.595 ( -4.059 -5.812 43.349) 43.925 14.317 ( 29.572 26.197 17.364) 43.154 16.033 ( -22.636 24.137 2.636) 33.196 17.025 ( 25.521 -18.784 -21.131) 38.088 18.564 ( -22.132 -18.891 -33.055) 44.038 30.903 ( 3.322 3.472 9.338) 10.501 31.543 ( -6.383 5.814 16.102) 18.271 32.091 ( 8.471 2.366 25.919) 27.371 33.025 ( -24.312 -3.885 17.228) 30.050 36.817 ( 14.759 -11.301 0.169) 18.590 38.040 ( -22.062 -21.060 5.074) 30.919 42.526 ( 16.626 11.976 -8.119) 22.041 43.255 ( -5.947 0.717 -12.455) 13.820 ======================= Grid point 643 (123/189) ======================= q-point: ( 0.45 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.038 ( 13.703 -14.157 5.702) 20.511 4.375 ( -19.082 -19.293 -0.215) 27.137 6.474 ( 23.820 18.808 -2.559) 30.457 6.934 ( -20.806 15.162 -6.013) 26.438 9.316 ( 8.979 -9.391 44.478) 46.337 9.482 ( -7.000 -8.800 43.512) 44.941 14.925 ( 29.815 25.437 8.929) 40.196 15.514 ( -27.690 24.759 3.409) 37.301 17.560 ( 26.407 -19.405 -25.296) 41.398 18.084 ( -24.867 -19.276 -29.713) 43.276 31.068 ( 12.029 10.160 10.969) 19.189 31.339 ( -13.016 10.534 13.841) 21.725 32.294 ( 11.665 0.860 23.728) 26.455 32.587 ( -17.810 0.124 20.029) 26.802 37.172 ( 19.465 -18.014 2.677) 26.656 37.592 ( -21.611 -20.589 4.441) 30.177 42.839 ( 13.974 6.984 -9.398) 18.231 43.088 ( -10.382 3.335 -10.786) 15.338 ======================= Grid point 653 (124/189) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( -0.612 -0.612 10.373) 10.409 4.371 ( -19.423 -19.423 -0.836) 27.481 6.420 ( 21.546 21.546 -1.842) 30.526 7.363 ( -2.401 -2.401 -10.617) 11.147 9.067 ( -0.341 -0.341 48.074) 48.076 9.457 ( -7.675 -7.675 43.858) 45.182 14.881 ( 28.802 28.802 7.574) 41.431 16.496 ( 3.949 3.949 13.020) 14.167 16.647 ( -1.162 -1.162 -37.281) 37.317 18.139 ( -22.642 -22.642 -29.822) 43.757 31.051 ( 10.692 10.692 10.868) 18.621 31.622 ( 0.895 0.895 14.833) 14.887 32.158 ( 4.570 4.570 28.070) 28.805 32.830 ( -13.889 -13.889 19.862) 27.935 36.728 ( 2.346 2.346 -0.154) 3.322 37.605 ( -21.138 -21.138 4.901) 30.293 42.760 ( 10.920 10.920 -8.338) 17.550 43.230 ( -3.187 -3.187 -10.909) 11.803 ======================= Grid point 654 (125/189) ======================= q-point: ( 0.45 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.808 ( 7.043 -8.086 8.147) 13.467 4.026 ( -14.132 -14.610 4.239) 20.764 6.845 ( 19.744 17.223 -5.031) 26.679 7.194 ( -13.601 9.545 -8.533) 18.678 9.131 ( 6.203 -7.896 46.904) 47.966 9.289 ( -8.561 -9.804 44.869) 46.719 15.473 ( 28.998 27.932 -0.752) 40.270 16.048 ( -27.154 27.213 -5.981) 38.906 17.119 ( 26.635 -23.717 -21.145) 41.461 17.650 ( -25.290 -23.185 -25.630) 42.825 31.308 ( 13.561 12.887 12.451) 22.472 31.546 ( -8.458 9.080 13.802) 18.560 32.294 ( 9.060 -0.690 26.784) 28.284 32.530 ( -14.033 -5.502 22.961) 27.466 36.885 ( 12.297 -9.521 1.483) 15.622 37.200 ( -18.175 -17.239 3.522) 25.297 42.966 ( 9.195 5.449 -8.789) 13.838 43.129 ( -6.663 0.640 -9.624) 11.723 ======================= Grid point 665 (126/189) ======================= q-point: ( 0.45 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.720 ( -0.357 -0.357 8.798) 8.812 3.796 ( -7.691 -7.691 7.419) 13.167 7.149 ( 11.772 11.772 -8.373) 18.635 7.287 ( -1.078 -1.078 -10.415) 10.526 9.036 ( -0.658 -0.658 48.968) 48.976 9.108 ( -7.111 -7.111 47.396) 48.451 16.046 ( 28.090 28.090 -9.701) 40.893 16.594 ( -0.925 -0.925 -41.670) 41.690 16.616 ( 1.660 1.660 11.690) 11.923 17.149 ( -25.862 -25.862 -20.012) 41.691 31.555 ( 10.121 10.121 12.362) 18.913 31.661 ( 0.735 0.735 11.977) 12.022 32.294 ( 1.832 1.832 29.412) 29.526 32.391 ( -7.044 -7.044 26.865) 28.653 36.797 ( 0.935 0.935 1.318) 1.866 36.915 ( -10.312 -10.312 2.223) 14.752 43.059 ( 3.729 3.729 -8.542) 10.039 43.116 ( -1.791 -1.791 -8.815) 9.171 ======================= Grid point 726 (127/189) ======================= q-point: ( 0.00 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 0.000 0.000 20.284) 20.284 4.107 ( 0.000 0.000 20.284) 20.284 7.129 ( -0.000 0.000 -23.042) 23.042 7.129 ( 0.000 0.000 -23.042) 23.042 9.267 ( 0.000 0.000 46.366) 46.366 9.978 ( 0.000 0.000 30.430) 30.430 13.274 ( 0.000 0.000 73.282) 73.282 16.433 ( 0.000 0.000 16.463) 16.463 16.433 ( 0.000 0.000 16.463) 16.463 19.344 ( -0.000 0.000 -46.289) 46.289 31.961 ( 0.000 0.000 17.640) 17.640 31.961 ( 0.000 -0.000 17.640) 17.640 34.784 ( -0.000 -0.000 14.614) 14.614 36.410 ( 0.000 0.000 -1.247) 1.247 36.410 ( -0.000 0.000 -1.247) 1.247 36.471 ( 0.000 0.000 -17.177) 17.177 40.887 ( 0.000 0.000 18.650) 18.650 42.986 ( -0.000 0.000 -21.025) 21.025 ======================= Grid point 727 (128/189) ======================= q-point: ( 0.09 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.130 ( 2.336 0.000 18.978) 19.121 4.153 ( 4.525 0.000 18.723) 19.262 7.031 ( -9.334 0.000 -21.658) 23.583 7.057 ( -6.844 0.000 -21.939) 22.982 9.361 ( 8.936 0.000 45.317) 46.190 10.045 ( 6.205 0.000 29.951) 30.587 13.334 ( 5.908 0.000 70.613) 70.859 16.378 ( -5.399 0.000 16.286) 17.157 16.487 ( 5.324 0.000 13.568) 14.575 19.277 ( -6.477 0.000 -45.916) 46.370 31.958 ( -0.639 0.000 17.776) 17.787 31.980 ( 1.759 0.000 17.198) 17.288 34.362 ( -34.421 0.000 8.565) 35.470 35.011 ( -70.279 0.000 -1.182) 70.289 36.717 ( 23.787 0.000 4.142) 24.145 37.715 ( 54.718 0.000 -16.713) 57.213 40.903 ( 2.357 0.000 18.856) 19.003 42.980 ( -0.604 0.000 -20.641) 20.650 ======================= Grid point 728 (129/189) ======================= q-point: ( 0.18 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.207 ( 5.342 0.000 15.150) 16.064 4.290 ( 8.914 0.000 14.172) 16.743 6.771 ( -15.550 0.000 -18.213) 23.949 6.863 ( -11.975 0.000 -19.142) 22.579 9.605 ( 14.319 0.000 42.965) 45.289 10.206 ( 8.840 0.000 29.363) 30.665 13.511 ( 11.426 0.000 63.305) 64.328 16.211 ( -11.072 0.000 16.033) 19.484 16.647 ( 10.315 0.000 5.630) 11.752 19.087 ( -11.997 0.000 -44.767) 46.347 31.904 ( -5.873 0.000 17.043) 18.026 32.014 ( 0.551 0.000 14.741) 14.751 33.615 ( -35.205 0.000 3.205) 35.351 33.662 ( -59.899 0.000 6.358) 60.236 37.203 ( 22.280 0.000 8.773) 23.945 38.580 ( 28.532 0.000 -19.052) 34.308 41.037 ( 12.329 0.000 16.524) 20.617 42.959 ( -1.566 0.000 -19.412) 19.475 ======================= Grid point 729 (130/189) ======================= q-point: ( 0.27 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.354 ( 9.271 0.000 8.894) 12.847 4.510 ( 12.491 0.000 6.937) 14.288 6.422 ( -18.230 0.000 -13.262) 22.543 6.582 ( -15.339 0.000 -14.939) 21.411 9.914 ( 15.328 0.000 40.309) 43.125 10.378 ( 7.576 0.000 29.674) 30.626 13.794 ( 16.291 0.000 53.079) 55.523 15.928 ( -16.675 0.000 16.502) 23.460 16.903 ( 14.686 0.000 -5.378) 15.640 18.799 ( -16.102 0.000 -42.735) 45.668 31.662 ( -18.372 0.000 11.189) 21.511 31.880 ( -18.938 0.000 4.416) 19.446 32.740 ( -24.774 0.000 18.837) 31.123 33.055 ( -18.223 0.000 6.031) 19.195 37.602 ( 17.078 0.000 9.777) 19.678 38.869 ( 1.734 0.000 -12.846) 12.962 41.413 ( 23.170 0.000 7.851) 24.464 42.910 ( -3.463 0.000 -17.261) 17.605 ======================= Grid point 730 (131/189) ======================= q-point: ( 0.36 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.582 ( 12.856 0.000 0.421) 12.863 4.779 ( 13.026 0.000 -2.883) 13.342 6.057 ( -16.674 0.000 -5.979) 17.714 6.252 ( -16.674 0.000 -8.923) 18.912 10.204 ( 12.712 0.000 37.726) 39.810 10.495 ( 3.587 0.000 30.986) 31.193 14.168 ( 20.275 0.000 41.946) 46.589 15.541 ( -21.139 0.000 18.786) 28.280 17.238 ( 18.081 0.000 -16.972) 24.798 18.441 ( -18.843 0.000 -39.525) 43.787 31.234 ( -20.556 0.000 3.321) 20.823 31.334 ( -26.814 0.000 -0.596) 26.820 32.586 ( 1.937 0.000 23.449) 23.529 32.835 ( -5.712 0.000 13.572) 14.725 37.915 ( 14.152 0.000 8.066) 16.289 38.752 ( -10.973 0.000 -5.254) 12.166 41.901 ( 23.194 0.000 -0.731) 23.205 42.808 ( -6.835 0.000 -14.313) 15.861 ======================= Grid point 731 (132/189) ======================= q-point: ( 0.45 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.848 ( 11.953 0.000 -9.535) 15.291 4.967 ( 2.686 0.000 -13.371) 13.638 5.818 ( -3.997 0.000 2.947) 4.966 5.935 ( -13.111 0.000 -0.728) 13.131 10.415 ( 7.767 0.000 35.275) 36.120 10.514 ( -1.910 0.000 32.968) 33.024 14.610 ( 22.880 0.000 31.726) 39.115 15.084 ( -23.332 0.000 23.789) 33.321 17.629 ( 20.033 0.000 -27.040) 33.652 18.041 ( -20.243 0.000 -34.525) 40.022 30.927 ( -8.014 0.000 -0.215) 8.017 30.946 ( -10.241 0.000 -0.893) 10.280 32.665 ( 4.534 0.000 21.786) 22.253 32.749 ( -3.764 0.000 18.717) 19.092 38.197 ( 13.973 0.000 4.684) 14.737 38.486 ( -14.221 0.000 0.322) 14.225 42.321 ( 17.795 0.000 -6.509) 18.948 42.621 ( -11.783 0.000 -10.766) 15.961 ======================= Grid point 738 (133/189) ======================= q-point: ( 0.09 0.09 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.102 ( -0.313 -0.313 18.940) 18.945 4.246 ( 6.802 6.802 16.052) 18.714 6.795 ( -14.569 -14.569 -20.369) 28.973 7.156 ( 1.214 1.214 -21.237) 21.306 9.427 ( 6.465 6.465 44.525) 45.454 10.104 ( 5.410 5.410 29.953) 30.915 13.395 ( 5.959 5.959 67.921) 68.442 16.420 ( -0.753 -0.753 10.928) 10.980 16.446 ( 0.712 0.712 15.960) 15.991 19.211 ( -6.445 -6.445 -45.497) 46.401 31.948 ( -0.618 -0.618 17.174) 17.196 32.014 ( 2.608 2.608 17.796) 18.174 33.665 ( -46.960 -46.960 2.282) 66.450 35.159 ( -16.494 -16.494 8.641) 24.876 36.425 ( 0.764 0.764 -1.477) 1.830 38.273 ( 35.111 35.111 -14.448) 51.714 40.937 ( 4.159 4.159 18.584) 19.493 42.980 ( -0.023 -0.023 -20.294) 20.294 ======================= Grid point 739 (134/189) ======================= q-point: ( 0.18 0.09 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.128 ( 2.918 -4.040 16.287) 17.032 4.423 ( 10.611 9.438 10.709) 17.786 6.468 ( -17.132 -17.747 -17.060) 29.991 7.090 ( -7.536 10.074 -18.503) 22.375 9.619 ( 12.045 1.686 42.256) 43.971 10.243 ( 7.586 3.385 30.117) 31.241 13.573 ( 11.487 6.072 60.557) 61.936 16.264 ( -11.035 4.986 12.395) 17.328 16.596 ( 10.325 -4.946 6.600) 13.215 19.021 ( -11.934 -6.349 -44.213) 46.233 31.908 ( -4.984 0.181 16.588) 17.322 32.052 ( -1.139 3.511 15.299) 15.738 32.754 ( -37.433 -42.809 3.274) 56.961 34.376 ( -47.183 26.431 8.531) 54.750 36.804 ( 25.441 -28.193 2.743) 38.074 38.814 ( 15.635 14.561 -13.382) 25.211 41.120 ( 14.700 8.509 14.822) 22.543 42.974 ( -0.739 1.370 -19.124) 19.187 ======================= Grid point 740 (135/189) ======================= q-point: ( 0.27 0.09 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.226 ( 6.901 -7.834 11.114) 15.248 4.670 ( 13.222 10.893 2.703) 17.344 6.115 ( -16.970 -17.858 -11.134) 27.034 6.865 ( -14.119 15.500 -14.497) 25.490 9.892 ( 14.121 -1.887 39.495) 41.986 10.389 ( 6.310 0.936 30.697) 31.353 13.857 ( 16.303 6.144 50.268) 53.201 15.981 ( -16.637 5.093 13.118) 21.790 16.852 ( 14.678 -4.975 -4.256) 16.072 18.735 ( -16.005 -6.191 -41.968) 45.341 31.588 ( -26.660 -9.281 5.809) 28.821 31.861 ( -14.580 -0.813 8.005) 16.653 32.416 ( 0.931 -12.956 18.545) 22.642 33.508 ( -34.821 25.748 9.673) 44.374 37.290 ( 21.568 -25.883 5.503) 34.138 38.908 ( -4.755 0.746 -7.801) 9.167 41.517 ( 22.764 9.767 6.297) 25.558 42.941 ( -2.783 2.826 -16.992) 17.449 ======================= Grid point 741 (136/189) ======================= q-point: ( 0.36 0.09 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.411 ( 11.124 -11.277 3.864) 16.305 4.916 ( 8.684 6.772 -8.549) 13.941 5.825 ( -9.348 -11.186 -1.282) 14.634 6.535 ( -17.887 17.261 -9.675) 26.675 10.167 ( 12.332 -3.557 37.074) 39.233 10.483 ( 2.569 -1.283 31.781) 31.911 14.230 ( 20.196 6.070 39.078) 44.405 15.595 ( -21.044 5.235 15.593) 26.710 17.186 ( 17.991 -5.070 -15.660) 24.385 18.380 ( -18.703 -5.960 -38.500) 43.215 31.099 ( -17.927 -7.482 0.618) 19.436 31.477 ( -22.073 8.695 4.554) 24.157 32.519 ( 6.897 -3.190 21.181) 22.502 33.014 ( -14.951 13.164 14.781) 24.805 37.686 ( 17.835 -20.185 5.619) 27.515 38.699 ( -14.181 -6.133 -2.416) 15.638 41.983 ( 21.891 7.568 -1.252) 23.196 42.850 ( -6.431 3.831 -14.055) 15.925 ======================= Grid point 742 (137/189) ======================= q-point: ( 0.45 0.09 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.668 ( 13.601 -13.046 -4.764) 19.440 4.916 ( -8.649 -8.360 -12.926) 17.657 5.840 ( 10.818 7.261 3.032) 13.377 6.160 ( -18.324 15.654 -3.618) 24.370 10.376 ( 7.972 -3.772 35.046) 36.139 10.484 ( -2.565 -2.927 33.277) 33.504 14.670 ( 22.730 5.822 28.794) 37.143 15.141 ( -23.180 5.497 20.752) 31.594 17.574 ( 19.869 -5.316 -25.668) 32.892 17.983 ( -20.066 -5.651 -33.267) 39.259 30.909 ( -0.458 1.615 -0.095) 1.681 31.070 ( -15.494 8.759 1.049) 17.829 32.663 ( 7.018 0.428 20.870) 22.023 32.806 ( -7.492 4.624 18.925) 20.873 38.035 ( 16.840 -14.972 3.988) 22.884 38.377 ( -16.736 -10.578 1.316) 19.842 42.381 ( 17.016 5.547 -6.535) 19.053 42.670 ( -11.414 4.511 -10.587) 16.208 ======================= Grid point 750 (138/189) ======================= q-point: ( 0.18 0.18 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.072 ( -1.265 -1.265 15.395) 15.499 4.646 ( 12.142 12.142 4.438) 17.736 6.103 ( -17.645 -17.645 -12.738) 28.017 7.209 ( 1.092 1.092 -16.687) 16.758 9.692 ( 5.812 5.812 40.555) 41.379 10.327 ( 4.481 4.481 31.415) 32.048 13.755 ( 11.610 11.610 53.047) 55.530 16.358 ( -2.490 -2.490 -2.672) 4.420 16.498 ( 1.895 1.895 14.588) 14.833 18.835 ( -11.748 -11.748 -42.534) 45.663 31.838 ( -18.646 -18.646 9.840) 28.146 31.998 ( -16.281 -16.281 6.669) 23.971 32.169 ( 4.877 4.877 18.409) 19.659 34.499 ( -17.216 -17.216 12.456) 27.348 36.481 ( 2.065 2.065 -1.737) 3.398 38.969 ( -0.457 -0.457 -6.834) 6.864 41.387 ( 17.203 17.203 9.403) 26.082 43.004 ( 1.198 1.198 -18.043) 18.123 ======================= Grid point 751 (139/189) ======================= q-point: ( 0.27 0.18 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.084 ( 2.685 -5.818 12.101) 13.693 4.884 ( 9.460 8.500 -5.342) 13.794 5.789 ( -11.281 -12.427 -3.851) 17.220 7.128 ( -8.836 9.553 -13.410) 18.686 9.855 ( 9.834 -1.227 38.333) 39.593 10.408 ( 3.092 0.672 32.393) 32.547 14.040 ( 16.276 11.630 42.564) 47.031 16.123 ( -16.121 8.133 1.942) 18.160 16.708 ( 14.279 -8.567 0.937) 16.678 18.553 ( -15.727 -11.447 -39.670) 44.183 31.299 ( -22.747 -15.762 1.902) 27.740 31.878 ( -6.340 1.877 12.765) 14.376 32.316 ( 8.388 1.085 19.180) 20.962 33.888 ( -35.138 8.571 12.255) 38.188 36.769 ( 20.770 -20.417 0.464) 29.129 38.819 ( -13.050 -9.743 -1.695) 16.374 41.779 ( 20.212 15.011 2.872) 25.340 43.008 ( -1.202 3.188 -15.967) 16.326 ======================= Grid point 752 (140/189) ======================= q-point: ( 0.36 0.18 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.187 ( 7.519 -10.232 6.808) 14.407 4.912 ( -7.824 -8.238 -12.753) 17.080 5.763 ( 9.742 6.262 3.871) 12.211 6.868 ( -16.159 14.811 -9.482) 23.883 10.069 ( 10.637 -5.656 36.331) 38.277 10.440 ( -0.141 -2.959 33.135) 33.267 14.410 ( 19.905 11.367 31.158) 38.681 15.745 ( -20.634 9.165 6.026) 23.368 17.037 ( 17.698 -9.384 -11.065) 22.885 18.205 ( -18.321 -11.026 -35.445) 41.396 30.991 ( -7.233 -2.463 1.460) 7.780 31.653 ( -15.931 8.483 8.663) 20.020 32.497 ( 9.226 0.950 20.012) 22.057 33.265 ( -23.987 9.801 14.859) 29.870 37.211 ( 21.794 -23.693 2.394) 32.281 38.485 ( -18.957 -14.728 1.312) 24.042 42.179 ( 18.648 10.990 -2.469) 21.786 42.943 ( -5.406 4.666 -13.158) 14.971 ======================= Grid point 753 (141/189) ======================= q-point: ( 0.45 0.18 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.388 ( 12.067 -13.748 0.202) 18.294 4.663 ( -14.215 -14.905 -7.038) 21.766 6.086 ( 19.477 15.298 -0.360) 24.769 6.495 ( -19.895 16.667 -5.258) 26.481 10.266 ( 8.299 -6.897 34.910) 36.540 10.396 ( -4.320 -5.720 33.911) 34.660 14.841 ( 22.220 10.761 20.575) 32.138 15.301 ( -22.644 9.957 12.031) 27.507 17.417 ( 19.443 -9.915 -21.353) 30.533 17.817 ( -19.606 -10.491 -29.476) 36.922 31.003 ( 8.092 7.633 1.970) 11.297 31.284 ( -18.051 11.972 4.139) 22.052 32.688 ( 9.640 1.876 20.026) 22.304 32.907 ( -12.778 4.663 18.473) 22.940 37.647 ( 21.197 -21.529 3.052) 30.367 38.075 ( -20.830 -18.305 2.720) 27.864 42.523 ( 15.018 7.830 -6.585) 18.172 42.783 ( -10.351 5.942 -10.017) 15.581 ======================= Grid point 762 (142/189) ======================= q-point: ( 0.27 0.27 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.001 ( -2.115 -2.115 10.922) 11.324 4.907 ( -7.763 -7.763 -12.291) 16.480 5.723 ( 7.522 7.522 3.951) 11.348 7.226 ( -0.372 -0.372 -11.493) 11.505 9.864 ( 2.506 2.506 37.568) 37.735 10.406 ( -1.037 -1.037 33.478) 33.510 14.323 ( 16.038 16.038 31.756) 39.025 16.211 ( -4.633 -4.633 -17.429) 18.620 16.601 ( 3.078 3.078 12.709) 13.434 18.279 ( -15.288 -15.288 -35.838) 41.855 31.050 ( -7.484 -7.484 2.473) 10.869 31.899 ( -0.771 -0.771 13.034) 13.080 32.397 ( 6.100 6.100 19.504) 21.327 33.792 ( -16.708 -16.708 14.321) 27.630 36.591 ( 3.265 3.265 -1.218) 4.775 38.531 ( -17.837 -17.837 1.911) 25.297 42.097 ( 15.797 15.797 -0.729) 22.352 43.050 ( 0.542 0.542 -14.056) 14.077 ======================= Grid point 763 (143/189) ======================= q-point: ( 0.36 0.27 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( 3.021 -7.054 7.820) 10.956 4.650 ( -14.999 -15.403 -7.707) 22.839 6.015 ( 18.637 16.501 1.231) 24.923 7.110 ( -10.683 8.336 -8.703) 16.105 9.958 ( 6.477 -4.611 36.599) 37.453 10.359 ( -3.707 -5.069 34.096) 34.670 14.684 ( 19.240 15.375 19.854) 31.634 15.941 ( -18.331 8.840 -10.745) 23.013 16.829 ( 15.831 -9.865 -0.609) 18.663 17.941 ( -17.728 -14.669 -30.377) 38.108 31.017 ( 4.350 5.260 3.360) 7.608 31.808 ( -8.883 6.242 10.901) 15.385 32.546 ( 8.265 3.588 20.037) 21.970 33.354 ( -22.422 -1.879 15.768) 27.476 36.822 ( 17.018 -12.683 0.362) 21.228 38.123 ( -21.694 -20.152 3.421) 29.807 42.408 ( 14.543 11.197 -3.899) 18.764 43.018 ( -3.875 2.286 -11.629) 12.469 ======================= Grid point 764 (144/189) ======================= q-point: ( 0.45 0.27 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.127 ( 8.670 -11.521 3.397) 14.814 4.354 ( -13.318 -14.743 -1.830) 19.951 6.421 ( 20.394 17.002 -2.415) 26.662 6.815 ( -17.650 14.245 -5.596) 23.361 10.108 ( 7.754 -8.152 35.526) 37.265 10.256 ( -6.379 -7.882 34.692) 36.144 15.097 ( 21.123 14.134 8.448) 26.783 15.531 ( -21.230 12.236 -1.622) 24.557 17.184 ( 18.515 -12.562 -13.322) 26.040 17.567 ( -18.858 -13.812 -23.013) 32.802 31.212 ( 14.093 12.579 4.717) 19.470 31.540 ( -16.393 12.631 7.301) 21.945 32.730 ( 9.955 1.976 19.882) 22.323 32.972 ( -14.746 1.290 18.334) 23.564 37.220 ( 21.301 -19.119 2.227) 28.709 37.669 ( -22.525 -20.742 3.380) 30.806 42.681 ( 12.093 7.313 -6.614) 15.603 42.891 ( -8.435 4.398 -9.118) 13.177 ======================= Grid point 774 (145/189) ======================= q-point: ( 0.36 0.36 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.913 ( -2.001 -2.001 6.951) 7.505 4.339 ( -14.444 -14.444 -2.408) 20.569 6.383 ( 18.854 18.854 -1.459) 26.704 7.184 ( -1.498 -1.498 -7.531) 7.824 9.906 ( -0.111 -0.111 37.103) 37.104 10.236 ( -6.933 -6.933 34.865) 36.217 15.025 ( 17.907 17.907 6.988) 26.271 16.009 ( -4.751 -4.751 -27.721) 28.524 16.732 ( 3.086 3.086 10.829) 11.675 17.618 ( -16.777 -16.777 -23.180) 33.170 31.201 ( 12.416 12.416 5.289) 18.338 31.877 ( -0.317 -0.317 10.922) 10.931 32.636 ( 5.251 5.251 20.663) 21.957 33.200 ( -11.806 -11.806 17.255) 24.010 36.728 ( 3.170 3.170 0.182) 4.487 37.692 ( -21.636 -21.636 3.913) 30.847 42.626 ( 10.092 10.092 -5.295) 15.223 43.025 ( -1.613 -1.613 -9.832) 10.093 ======================= Grid point 775 (146/189) ======================= q-point: ( 0.45 0.36 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.935 ( 4.233 -7.046 4.729) 9.483 4.084 ( -10.212 -11.418 1.631) 15.405 6.755 ( 17.130 15.287 -3.590) 23.238 7.051 ( -11.167 8.278 -5.691) 15.020 9.957 ( 4.912 -6.035 36.747) 37.562 10.087 ( -7.311 -8.254 35.782) 37.442 15.401 ( 18.758 15.362 -6.227) 25.032 15.768 ( -16.518 9.891 -19.510) 27.410 16.937 ( 14.719 -10.492 -0.430) 18.081 17.270 ( -17.217 -14.961 -13.435) 26.472 31.494 ( 15.356 14.371 7.134) 22.209 31.770 ( -10.305 9.104 9.185) 16.536 32.763 ( 7.388 1.284 20.603) 21.925 32.950 ( -11.289 -3.297 19.172) 22.491 36.915 ( 14.110 -10.123 1.521) 17.432 37.266 ( -19.700 -18.156 3.090) 26.968 42.813 ( 8.208 5.620 -6.656) 11.969 42.953 ( -5.373 1.586 -8.133) 9.876 ======================= Grid point 786 (147/189) ======================= q-point: ( 0.45 0.45 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.853 ( -0.821 -0.821 4.625) 4.768 3.905 ( -5.869 -5.869 3.610) 9.051 7.017 ( 9.801 9.801 -4.689) 14.632 7.130 ( -0.845 -0.845 -5.529) 5.657 9.887 ( -0.435 -0.435 37.541) 37.546 9.942 ( -5.442 -5.442 37.022) 37.814 15.697 ( 12.843 12.843 -22.377) 28.821 15.865 ( -1.958 -1.958 -32.393) 32.511 16.827 ( 1.318 1.318 9.605) 9.784 16.983 ( -12.315 -12.315 -0.307) 17.419 31.758 ( 10.399 10.399 8.584) 17.028 31.871 ( -0.055 -0.055 9.287) 9.287 32.792 ( 2.090 2.090 21.380) 21.584 32.861 ( -4.568 -4.568 20.665) 21.651 36.825 ( 1.331 1.331 1.440) 2.370 36.959 ( -11.391 -11.391 2.178) 16.255 42.907 ( 3.571 3.571 -6.845) 8.506 42.956 ( -1.204 -1.204 -7.328) 7.523 ======================= Grid point 847 (148/189) ======================= q-point: ( 0.00 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.464 ( 0.000 -0.000 15.852) 15.852 4.464 ( 0.000 -0.000 15.852) 15.852 6.711 ( 0.000 0.000 -18.885) 18.885 6.711 ( 0.000 0.000 -18.885) 18.885 10.026 ( -0.000 -0.000 31.068) 31.068 10.441 ( -0.000 0.000 16.507) 16.507 14.684 ( 0.000 0.000 70.498) 70.498 16.701 ( 0.000 0.000 10.624) 10.624 16.701 ( -0.000 0.000 10.624) 10.624 18.367 ( 0.000 0.000 -53.436) 53.436 32.248 ( -0.000 -0.000 11.409) 11.409 32.248 ( 0.000 0.000 11.409) 11.409 35.088 ( 0.000 0.000 16.381) 16.381 36.126 ( 0.000 0.000 -17.972) 17.972 36.391 ( -0.000 0.000 -0.719) 0.719 36.391 ( -0.000 0.000 -0.719) 0.719 41.272 ( 0.000 0.000 20.604) 20.604 42.562 ( 0.000 0.000 -22.148) 22.148 ======================= Grid point 848 (149/189) ======================= q-point: ( 0.09 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.464 ( 0.065 0.000 14.837) 14.837 4.481 ( 1.711 0.000 14.484) 14.585 6.637 ( -7.031 0.000 -17.734) 19.077 6.657 ( -5.165 0.000 -18.170) 18.890 10.105 ( 7.488 0.000 30.453) 31.360 10.503 ( 5.866 0.000 16.461) 17.475 14.699 ( 1.521 0.000 68.478) 68.495 16.646 ( -5.352 0.000 10.803) 12.056 16.709 ( 0.859 0.000 8.739) 8.781 18.312 ( -5.409 0.000 -52.685) 52.962 32.246 ( -0.624 0.000 11.453) 11.470 32.258 ( 0.763 0.000 10.990) 11.017 34.534 ( -41.938 0.000 8.862) 42.864 34.956 ( -63.543 0.000 -4.246) 63.685 36.819 ( 30.306 0.000 6.287) 30.951 37.413 ( 49.194 0.000 -14.123) 51.181 41.290 ( 2.190 0.000 20.585) 20.701 42.564 ( 0.206 0.000 -21.731) 21.732 ======================= Grid point 849 (150/189) ======================= q-point: ( 0.18 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.471 ( 0.807 0.000 11.732) 11.759 4.533 ( 3.357 0.000 10.357) 10.887 6.443 ( -11.461 0.000 -14.452) 18.445 6.512 ( -8.816 0.000 -15.988) 18.258 10.311 ( 12.176 0.000 28.881) 31.343 10.660 ( 8.951 0.000 16.614) 18.872 14.749 ( 3.562 0.000 62.754) 62.855 16.484 ( -10.467 0.000 11.599) 15.624 16.739 ( 2.212 0.000 3.281) 3.957 18.154 ( -9.838 0.000 -50.447) 51.397 32.175 ( -8.476 0.000 10.603) 13.574 32.242 ( -4.456 0.000 8.422) 9.528 33.685 ( -36.903 0.000 3.720) 37.090 33.750 ( -51.642 0.000 2.796) 51.718 37.394 ( 24.661 0.000 10.761) 26.906 38.221 ( 29.218 0.000 -17.423) 34.018 41.387 ( 8.054 0.000 18.951) 20.591 42.570 ( 0.289 0.000 -20.254) 20.256 ======================= Grid point 850 (151/189) ======================= q-point: ( 0.27 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.504 ( 2.497 0.000 6.435) 6.903 4.614 ( 4.388 0.000 3.568) 5.655 6.195 ( -12.256 0.000 -9.213) 15.333 6.312 ( -10.511 0.000 -12.146) 16.063 10.574 ( 13.042 0.000 26.851) 29.850 10.843 ( 8.506 0.000 17.369) 19.340 14.849 ( 6.411 0.000 54.233) 54.610 16.227 ( -14.618 0.000 13.724) 20.051 16.805 ( 4.464 0.000 -5.100) 6.778 17.922 ( -12.751 0.000 -46.753) 48.460 31.817 ( -26.097 0.000 5.317) 26.633 31.929 ( -27.893 0.000 0.899) 27.907 33.048 ( -14.926 0.000 12.459) 19.442 33.181 ( -12.163 0.000 5.958) 13.544 37.807 ( 16.182 0.000 11.171) 19.663 38.594 ( 8.167 0.000 -14.765) 16.873 41.625 ( 14.783 0.000 13.171) 19.799 42.570 ( -0.486 0.000 -17.376) 17.383 ======================= Grid point 851 (152/189) ======================= q-point: ( 0.36 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.575 ( 4.387 0.000 -0.739) 4.449 4.698 ( 3.359 0.000 -4.836) 5.888 5.973 ( -8.844 0.000 -2.551) 9.204 6.098 ( -10.034 0.000 -6.584) 12.002 10.818 ( 10.495 0.000 24.715) 26.851 10.987 ( 5.192 0.000 18.771) 19.476 15.015 ( 9.977 0.000 44.166) 45.279 15.903 ( -16.753 0.000 18.015) 24.601 16.927 ( 7.619 0.000 -15.211) 17.013 17.647 ( -13.969 0.000 -41.514) 43.801 31.262 ( -24.792 0.000 0.316) 24.794 31.310 ( -27.612 0.000 -1.585) 27.657 32.967 ( 1.903 0.000 15.219) 15.337 33.078 ( -1.034 0.000 10.195) 10.248 38.075 ( 10.943 0.000 8.460) 13.832 38.613 ( -4.547 0.000 -8.559) 9.692 41.948 ( 15.919 0.000 5.231) 16.756 42.538 ( -2.968 0.000 -13.168) 13.498 ======================= Grid point 852 (153/189) ======================= q-point: ( 0.45 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.670 ( 4.419 0.000 -7.990) 9.130 4.728 ( -0.788 0.000 -10.458) 10.487 5.866 ( -1.168 0.000 1.953) 2.276 5.925 ( -6.409 0.000 -0.463) 6.426 10.985 ( 5.645 0.000 22.621) 23.315 11.042 ( 0.065 0.000 20.603) 20.603 15.256 ( 13.647 0.000 33.932) 36.573 15.563 ( -16.290 0.000 24.873) 29.732 17.116 ( 10.961 0.000 -25.466) 27.725 17.366 ( -13.340 0.000 -34.451) 36.943 30.903 ( -9.230 0.000 -1.613) 9.370 30.913 ( -10.364 0.000 -1.950) 10.546 33.026 ( 2.945 0.000 14.638) 14.932 33.067 ( -0.922 0.000 12.931) 12.964 38.278 ( 9.450 0.000 3.710) 10.153 38.466 ( -8.858 0.000 -2.119) 9.108 42.239 ( 12.240 0.000 -1.941) 12.393 42.437 ( -7.211 0.000 -7.985) 10.760 ======================= Grid point 859 (154/189) ======================= q-point: ( 0.09 0.09 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.433 ( -1.546 -1.546 14.522) 14.686 4.527 ( 3.082 3.082 12.416) 13.159 6.423 ( -12.356 -12.356 -16.745) 24.202 6.771 ( 2.762 2.762 -17.316) 17.751 10.154 ( 4.960 4.960 29.553) 30.374 10.566 ( 5.795 5.795 16.946) 18.824 14.713 ( 1.471 1.471 66.368) 66.400 16.604 ( -4.676 -4.676 7.556) 10.041 16.706 ( 0.340 0.340 10.316) 10.327 18.257 ( -5.256 -5.256 -51.843) 52.373 32.226 ( -1.070 -1.070 10.936) 11.040 32.302 ( 2.693 2.693 11.418) 12.036 33.702 ( -49.948 -49.948 1.543) 70.655 35.296 ( -12.618 -12.618 5.361) 18.633 36.402 ( 0.614 0.614 -0.863) 1.224 38.038 ( 34.951 34.951 -9.378) 50.310 41.319 ( 3.264 3.264 20.317) 20.835 42.572 ( 0.750 0.750 -21.322) 21.348 ======================= Grid point 860 (155/189) ======================= q-point: ( 0.18 0.09 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.410 ( -0.622 -3.866 12.242) 12.854 4.602 ( 4.242 4.621 7.456) 9.744 6.165 ( -12.553 -14.813 -13.239) 23.500 6.753 ( -4.428 11.122 -15.088) 19.260 10.306 ( 9.750 0.173 27.604) 29.276 10.715 ( 8.192 4.784 17.837) 20.202 14.762 ( 3.447 1.306 60.388) 60.500 16.452 ( -10.139 -3.459 6.888) 12.736 16.731 ( 2.154 -0.448 6.428) 6.795 18.104 ( -9.542 -4.806 -49.343) 50.486 32.171 ( -6.908 -0.420 10.272) 12.386 32.278 ( -11.625 2.215 7.778) 14.162 32.821 ( -27.152 -41.438 3.480) 49.664 34.512 ( -47.208 30.366 5.306) 56.381 36.858 ( 29.115 -34.899 2.551) 45.521 38.584 ( 17.461 20.524 -9.711) 28.643 41.445 ( 9.494 5.805 17.952) 21.121 42.592 ( 1.103 2.100 -19.833) 19.975 ======================= Grid point 861 (156/189) ======================= q-point: ( 0.27 0.09 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.415 ( 1.270 -6.103 7.988) 10.133 4.691 ( 4.093 4.780 -0.274) 6.299 5.935 ( -9.342 -13.036 -6.954) 17.481 6.602 ( -10.022 16.048 -11.654) 22.221 10.532 ( 11.908 -3.316 25.529) 28.364 10.877 ( 7.199 2.630 18.779) 20.283 14.859 ( 6.209 0.988 51.492) 51.875 16.200 ( -14.297 -2.676 8.994) 17.102 16.797 ( 4.446 -0.652 -1.772) 4.831 17.879 ( -12.333 -4.096 -45.240) 47.070 31.640 ( -33.414 -14.416 0.819) 36.400 31.998 ( -17.190 4.230 5.405) 18.510 32.715 ( 5.416 -11.450 11.778) 17.297 33.681 ( -30.945 26.632 7.509) 41.512 37.391 ( 22.602 -31.666 4.588) 39.174 38.750 ( -0.156 7.663 -7.604) 10.797 41.700 ( 14.958 7.136 11.860) 20.379 42.608 ( 0.196 3.557 -16.914) 17.285 ======================= Grid point 862 (157/189) ======================= q-point: ( 0.36 0.09 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.467 ( 3.914 -7.800 2.044) 8.963 4.742 ( 0.173 1.110 -8.324) 8.399 5.818 ( -1.458 -5.512 0.189) 5.705 6.365 ( -12.850 16.641 -7.283) 22.250 10.766 ( 10.501 -4.589 23.752) 26.373 10.991 ( 3.755 0.021 19.838) 20.190 15.019 ( 9.672 0.476 40.990) 42.118 15.884 ( -16.375 -1.909 13.569) 21.351 16.917 ( 7.470 -0.870 -11.995) 14.157 17.614 ( -13.475 -3.190 -39.499) 41.855 31.089 ( -19.161 -7.460 -0.994) 20.586 31.529 ( -26.085 12.239 1.281) 28.842 32.859 ( 7.709 -4.471 13.355) 16.056 33.278 ( -10.952 12.954 11.309) 20.388 37.785 ( 16.767 -23.915 4.395) 29.536 38.632 ( -10.092 -1.539 -3.933) 10.940 42.016 ( 15.288 6.319 4.405) 17.118 42.587 ( -2.647 4.476 -12.747) 13.767 ======================= Grid point 863 (158/189) ======================= q-point: ( 0.45 0.09 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.570 ( 5.948 -7.976 -4.688) 10.999 4.689 ( -4.959 -5.005 -9.801) 12.071 5.887 ( 7.781 5.390 1.722) 9.621 6.101 ( -12.469 13.147 -2.283) 18.262 10.941 ( 6.415 -4.087 22.299) 23.561 11.019 ( -1.172 -2.387 21.020) 21.188 15.253 ( 13.256 -0.234 30.307) 33.080 15.552 ( -15.874 -1.071 20.815) 26.199 17.102 ( 10.618 -1.383 -22.522) 24.938 17.343 ( -12.860 -2.215 -31.925) 34.489 30.889 ( -0.349 2.770 -1.405) 3.126 31.066 ( -17.114 10.775 -0.835) 20.240 33.007 ( 6.607 -0.457 13.785) 15.293 33.128 ( -5.668 4.370 13.247) 15.057 38.098 ( 14.467 -16.023 2.488) 21.731 38.383 ( -13.546 -8.796 -0.423) 16.157 42.297 ( 11.852 5.276 -2.202) 13.159 42.490 ( -7.066 4.837 -7.810) 11.589 ======================= Grid point 871 (159/189) ======================= q-point: ( 0.18 0.18 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.336 ( -3.220 -3.220 11.265) 12.150 4.699 ( 4.512 4.512 1.231) 6.499 5.894 ( -11.175 -11.175 -8.293) 17.847 6.908 ( 3.517 3.517 -13.376) 14.270 10.345 ( 4.019 4.019 25.797) 26.415 10.827 ( 5.621 5.621 19.339) 20.909 14.805 ( 3.080 3.080 53.697) 53.873 16.332 ( -8.478 -8.478 -0.416) 11.997 16.736 ( 1.240 1.240 9.485) 9.645 17.965 ( -8.685 -8.685 -46.091) 47.699 31.910 ( -33.172 -33.172 0.721) 46.918 32.178 ( -2.628 -2.628 8.678) 9.440 32.464 ( 5.153 5.153 11.592) 13.693 34.701 ( -16.409 -16.409 8.072) 24.570 36.454 ( 2.073 2.073 -1.027) 3.106 38.842 ( 4.159 4.159 -5.673) 8.172 41.624 ( 11.587 11.587 14.264) 21.725 42.647 ( 3.034 3.034 -18.268) 18.765 ======================= Grid point 872 (160/189) ======================= q-point: ( 0.27 0.18 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.288 ( -1.195 -6.038 8.534) 10.522 4.757 ( 0.272 0.702 -6.660) 6.702 5.747 ( -2.231 -4.388 -0.910) 5.006 6.887 ( -5.441 11.119 -10.593) 16.293 10.471 ( 8.101 -2.088 24.258) 25.660 10.926 ( 3.866 1.895 20.273) 20.725 14.892 ( 5.576 2.395 43.784) 44.203 16.112 ( -12.870 -6.223 -1.748) 14.402 16.788 ( 3.884 0.030 5.182) 6.476 17.761 ( -11.147 -7.356 -40.855) 42.982 31.313 ( -23.268 -15.545 0.025) 27.983 32.077 ( -9.053 3.171 7.501) 12.178 32.622 ( 9.204 0.995 11.974) 15.136 34.093 ( -34.043 10.630 8.411) 36.642 36.779 ( 22.837 -23.614 0.499) 32.854 38.775 ( -9.653 -5.428 -2.457) 11.343 41.893 ( 14.201 11.179 8.393) 19.927 42.700 ( 1.693 4.940 -15.299) 16.166 ======================= Grid point 873 (161/189) ======================= q-point: ( 0.36 0.18 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.297 ( 2.203 -8.583 4.344) 9.869 4.690 ( -6.460 -6.296 -9.477) 13.084 5.823 ( 9.248 6.094 2.305) 11.313 6.700 ( -12.418 15.542 -7.226) 21.165 10.654 ( 9.334 -5.902 23.043) 25.553 10.973 ( 0.524 -1.983 20.939) 21.039 15.037 ( 8.721 1.313 32.143) 33.331 15.824 ( -14.980 -4.093 2.235) 15.689 16.896 ( 6.792 -1.031 -3.971) 7.935 17.522 ( -12.089 -5.692 -33.780) 36.327 30.999 ( -7.268 -1.023 -0.184) 7.342 31.773 ( -20.353 11.377 3.975) 23.653 32.819 ( 9.862 0.413 12.657) 16.051 33.523 ( -20.640 9.689 10.779) 25.220 37.251 ( 22.659 -25.910 1.612) 34.458 38.494 ( -17.002 -11.854 -0.134) 20.727 42.180 ( 13.591 9.161 2.365) 16.560 42.700 ( -1.976 6.053 -11.428) 13.082 ======================= Grid point 874 (162/189) ======================= q-point: ( 0.45 0.18 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.381 ( 5.997 -10.163 -0.752) 11.825 4.531 ( -8.275 -9.882 -5.964) 14.202 6.082 ( 15.227 13.083 -0.044) 20.075 6.406 ( -15.863 16.085 -3.644) 22.883 10.829 ( 7.387 -6.720 22.192) 24.336 10.942 ( -3.599 -5.133 21.543) 22.437 15.248 ( 12.019 -0.201 20.367) 23.650 15.520 ( -14.486 -2.060 9.970) 17.706 17.063 ( 9.562 -2.295 -14.676) 17.665 17.279 ( -11.505 -3.910 -24.948) 27.750 31.019 ( 8.914 9.812 0.043) 13.256 31.331 ( -20.544 14.783 1.182) 25.338 33.016 ( 9.518 1.260 13.104) 16.245 33.218 ( -11.081 4.061 12.727) 17.357 37.695 ( 21.125 -22.101 1.785) 30.625 38.113 ( -19.936 -17.100 1.216) 26.293 42.432 ( 10.876 7.473 -2.807) 13.491 42.612 ( -6.677 6.623 -7.264) 11.883 ======================= Grid point 883 (163/189) ======================= q-point: ( 0.27 0.27 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.181 ( -4.193 -4.193 7.335) 9.432 4.692 ( -6.909 -6.909 -9.156) 13.391 5.786 ( 8.085 8.085 2.465) 11.696 7.026 ( 2.044 2.044 -8.556) 9.031 10.466 ( 1.865 1.865 23.618) 23.765 10.944 ( -0.350 -0.350 21.090) 21.095 14.961 ( 4.433 4.433 32.486) 33.085 15.945 ( -9.987 -9.987 -9.870) 17.231 16.809 ( 2.292 2.292 8.326) 8.934 17.589 ( -9.343 -9.343 -34.012) 36.488 31.076 ( -6.765 -6.765 0.578) 9.584 32.102 ( -1.665 -1.665 7.632) 7.987 32.707 ( 6.506 6.506 12.038) 15.151 34.030 ( -15.694 -15.694 9.636) 24.196 36.573 ( 3.692 3.692 -0.679) 5.265 38.553 ( -15.565 -15.565 0.450) 22.017 42.133 ( 11.998 11.998 4.049) 17.445 42.787 ( 3.065 3.065 -12.589) 13.314 ======================= Grid point 884 (164/189) ======================= q-point: ( 0.36 0.27 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.131 ( -0.404 -7.325 4.741) 8.735 4.509 ( -10.165 -10.697 -6.254) 16.027 6.039 ( 15.713 14.264 1.148) 21.253 6.965 ( -7.852 9.697 -5.963) 13.829 10.546 ( 5.717 -4.222 23.088) 24.157 10.908 ( -3.189 -4.389 21.620) 22.290 15.076 ( 7.030 2.673 19.452) 20.855 15.717 ( -12.111 -6.400 -10.234) 17.099 16.885 ( 5.123 0.152 4.163) 6.603 17.390 ( -9.997 -7.101 -25.246) 28.066 31.058 ( 5.175 6.966 1.204) 8.761 31.972 ( -11.732 7.488 5.931) 15.129 32.865 ( 8.648 3.770 12.400) 15.581 33.619 ( -20.548 -1.151 10.777) 23.232 36.829 ( 18.608 -13.603 0.332) 23.052 38.174 ( -20.972 -18.870 1.836) 28.272 42.371 ( 11.265 9.362 -0.006) 14.648 42.808 ( -1.147 4.104 -9.486) 10.399 ======================= Grid point 885 (165/189) ======================= q-point: ( 0.45 0.27 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.173 ( 4.528 -9.917 1.363) 10.986 4.311 ( -8.720 -11.252 -2.344) 14.427 6.387 ( 17.665 16.155 -1.079) 23.962 6.726 ( -14.926 14.665 -3.391) 21.198 10.681 ( 7.054 -7.400 22.568) 24.775 10.815 ( -5.808 -7.142 22.088) 23.929 15.248 ( 9.776 0.222 6.660) 11.831 15.469 ( -11.832 -2.871 -3.927) 12.793 17.016 ( 7.655 -2.169 -4.723) 9.252 17.191 ( -9.383 -4.631 -15.159) 18.419 31.275 ( 15.487 14.953 2.031) 21.623 31.643 ( -19.019 15.112 3.534) 24.547 33.051 ( 9.708 1.940 12.663) 16.073 33.276 ( -13.177 1.218 12.226) 18.017 37.257 ( 22.500 -19.653 1.455) 29.910 37.723 ( -22.943 -20.403 2.061) 30.772 42.582 ( 9.260 7.015 -3.422) 12.111 42.737 ( -5.738 5.279 -6.458) 10.124 ======================= Grid point 895 (166/189) ======================= q-point: ( 0.36 0.36 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.015 ( -3.667 -3.667 3.590) 6.307 4.284 ( -10.776 -10.776 -2.843) 15.503 6.368 ( 17.275 17.275 -0.135) 24.430 7.070 ( 0.235 0.235 -4.167) 4.180 10.500 ( 0.002 0.002 23.295) 23.295 10.798 ( -6.255 -6.255 22.189) 23.887 15.149 ( 4.484 4.484 5.413) 8.337 15.569 ( -7.906 -7.906 -17.121) 20.448 16.910 ( 2.403 2.403 7.110) 7.880 17.241 ( -7.335 -7.335 -15.125) 18.340 31.276 ( 14.007 14.007 2.618) 19.981 32.046 ( -1.026 -1.026 6.324) 6.488 32.962 ( 5.591 5.591 12.554) 14.837 33.484 ( -10.618 -10.618 11.375) 18.838 36.733 ( 3.805 3.805 0.258) 5.387 37.755 ( -21.682 -21.682 2.484) 30.763 42.554 ( 8.457 8.457 -2.111) 12.144 42.854 ( 0.214 0.214 -7.460) 7.466 ======================= Grid point 896 (167/189) ======================= q-point: ( 0.45 0.36 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.996 ( 1.924 -7.009 1.691) 7.462 4.093 ( -7.470 -9.580 -0.373) 12.154 6.711 ( 15.650 14.938 -1.110) 21.664 6.973 ( -9.400 8.889 -2.403) 13.159 10.548 ( 4.412 -5.200 23.180) 24.162 10.664 ( -6.583 -7.339 22.744) 24.789 15.260 ( 6.420 1.023 -7.229) 9.722 15.406 ( -7.827 -3.247 -15.652) 17.799 16.983 ( 4.749 -0.879 3.379) 5.894 17.099 ( -6.495 -4.229 -4.916) 9.178 31.601 ( 16.937 16.222 3.936) 23.780 31.910 ( -12.025 10.231 5.290) 16.651 33.089 ( 7.057 1.790 12.669) 14.612 33.261 ( -10.053 -2.602 12.243) 16.054 36.941 ( 15.429 -10.478 1.127) 18.684 37.317 ( -20.705 -18.634 2.102) 27.935 42.709 ( 6.663 5.344 -3.905) 9.392 42.817 ( -3.722 2.427 -5.614) 7.160 ======================= Grid point 907 (168/189) ======================= q-point: ( 0.45 0.45 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.906 ( -1.480 -1.480 1.115) 2.371 3.942 ( -4.904 -4.904 0.470) 6.952 6.964 ( 9.286 9.286 -1.044) 13.173 7.065 ( -0.216 -0.216 -1.480) 1.511 10.488 ( -0.311 -0.311 23.549) 23.553 10.536 ( -4.742 -4.742 23.347) 24.291 15.291 ( 2.049 2.049 -17.418) 17.657 15.342 ( -2.934 -2.934 -20.688) 21.100 16.984 ( 1.039 1.039 6.286) 6.455 17.025 ( -2.906 -2.906 3.065) 5.127 31.894 ( 11.391 11.391 5.264) 16.948 32.019 ( -0.303 -0.303 5.806) 5.822 33.128 ( 2.219 2.219 12.882) 13.259 33.189 ( -3.750 -3.750 12.686) 13.750 36.851 ( 1.635 1.635 1.100) 2.561 36.996 ( -12.163 -12.163 1.579) 17.273 42.797 ( 3.170 3.170 -4.346) 6.244 42.835 ( -0.571 -0.571 -4.893) 4.959 ======================= Grid point 968 (169/189) ======================= q-point: ( 0.00 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.697 ( -0.000 -0.000 6.856) 6.856 4.697 ( 0.000 0.000 6.856) 6.856 6.433 ( 0.000 0.000 -8.108) 8.108 6.433 ( 0.000 0.000 -8.108) 8.108 10.478 ( -0.000 0.000 15.052) 15.052 10.614 ( 0.000 0.000 1.053) 1.053 16.021 ( 0.000 -0.000 65.930) 65.930 16.842 ( 0.000 0.000 3.661) 3.661 16.842 ( 0.000 0.000 3.661) 3.661 17.256 ( -0.000 -0.000 -60.098) 60.098 32.399 ( 0.000 0.000 3.944) 3.944 32.399 ( -0.000 0.000 3.944) 3.944 35.421 ( -0.000 0.000 17.594) 17.594 35.772 ( -0.000 0.000 -18.133) 18.133 36.382 ( -0.000 0.000 -0.234) 0.234 36.382 ( 0.000 0.000 -0.234) 0.234 41.689 ( 0.000 0.000 21.922) 21.922 42.124 ( -0.000 0.000 -22.454) 22.454 ======================= Grid point 969 (170/189) ======================= q-point: ( 0.09 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.684 ( -1.263 0.000 6.636) 6.755 4.691 ( -0.576 0.000 5.946) 5.974 6.380 ( -5.056 0.000 -7.256) 8.844 6.388 ( -4.291 0.000 -8.041) 9.114 10.547 ( 6.581 0.000 14.678) 16.086 10.678 ( 6.046 0.000 1.235) 6.171 16.000 ( -1.944 0.000 64.180) 64.209 16.791 ( -4.912 0.000 3.279) 5.906 16.821 ( -1.944 0.000 2.699) 3.326 17.222 ( -3.251 0.000 -57.960) 58.052 32.399 ( -0.537 0.000 4.070) 4.105 32.403 ( -0.077 0.000 3.653) 3.654 34.703 ( -49.500 0.000 8.200) 50.175 34.849 ( -56.764 0.000 -6.597) 57.146 36.966 ( 36.993 0.000 8.752) 38.014 37.163 ( 43.372 0.000 -11.434) 44.854 41.705 ( 1.739 0.000 21.696) 21.766 42.134 ( 1.036 0.000 -22.089) 22.113 ======================= Grid point 970 (171/189) ======================= q-point: ( 0.18 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.649 ( -2.087 0.000 5.764) 6.130 4.674 ( -1.119 0.000 3.353) 3.535 6.244 ( -7.796 0.000 -4.929) 9.224 6.272 ( -6.781 0.000 -7.578) 10.169 10.728 ( 10.644 0.000 13.629) 17.293 10.843 ( 9.581 0.000 1.859) 9.760 15.949 ( -2.892 0.000 59.156) 59.226 16.648 ( -8.869 0.000 3.362) 9.485 16.766 ( -3.297 0.000 -0.306) 3.311 17.128 ( -5.889 0.000 -52.658) 52.987 32.320 ( -9.968 0.000 4.278) 10.847 32.343 ( -8.578 0.000 1.959) 8.798 33.749 ( -39.413 0.000 2.530) 39.494 33.776 ( -44.342 0.000 -0.110) 44.343 37.626 ( 26.665 0.000 12.945) 29.641 37.902 ( 28.275 0.000 -15.237) 32.120 41.771 ( 5.057 0.000 20.135) 20.760 42.170 ( 2.521 0.000 -20.515) 20.669 ======================= Grid point 971 (172/189) ======================= q-point: ( 0.27 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.605 ( -2.083 0.000 3.811) 4.344 4.646 ( -1.574 0.000 -0.292) 1.601 6.084 ( -7.490 0.000 -1.838) 7.712 6.128 ( -7.017 0.000 -6.181) 9.350 10.956 ( 11.202 0.000 12.084) 16.477 11.045 ( 9.706 0.000 3.006) 10.161 15.894 ( -2.188 0.000 51.469) 51.515 16.443 ( -10.886 0.000 6.091) 12.475 16.696 ( -3.372 0.000 -5.567) 6.509 16.990 ( -7.414 0.000 -46.095) 46.688 31.891 ( -30.618 0.000 2.589) 30.727 31.926 ( -31.324 0.000 -1.038) 31.341 33.223 ( -10.245 0.000 5.308) 11.538 33.259 ( -9.382 0.000 1.421) 9.489 38.041 ( 14.566 0.000 12.804) 19.394 38.307 ( 12.096 0.000 -14.275) 18.710 41.911 ( 8.422 0.000 15.780) 17.887 42.233 ( 3.452 0.000 -16.963) 17.311 ======================= Grid point 972 (173/189) ======================= q-point: ( 0.36 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.571 ( -1.160 0.000 0.721) 1.366 4.612 ( -1.770 0.000 -3.500) 3.922 5.956 ( -4.790 0.000 0.696) 4.841 5.998 ( -5.463 0.000 -3.646) 6.568 11.162 ( 8.573 0.000 10.262) 13.372 11.217 ( 6.827 0.000 4.597) 8.230 15.872 ( 0.268 0.000 41.959) 41.960 16.222 ( -10.439 0.000 12.295) 16.129 16.642 ( -1.646 0.000 -13.006) 13.109 16.837 ( -7.248 0.000 -38.931) 39.600 31.266 ( -27.014 0.000 0.379) 27.016 31.281 ( -27.853 0.000 -1.186) 27.879 33.176 ( 1.959 0.000 6.153) 6.458 33.208 ( 1.196 0.000 2.754) 3.003 38.248 ( 6.674 0.000 9.186) 11.354 38.433 ( 1.482 0.000 -9.566) 9.680 42.091 ( 8.656 0.000 9.126) 12.578 42.295 ( 2.255 0.000 -11.545) 11.764 ======================= Grid point 973 (174/189) ======================= q-point: ( 0.45 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.561 ( 0.244 0.000 -2.607) 2.618 4.579 ( -1.374 0.000 -4.446) 4.653 5.896 ( -0.998 0.000 1.180) 1.546 5.914 ( -2.652 0.000 -0.685) 2.739 11.290 ( 3.738 0.000 8.347) 9.146 11.309 ( 1.908 0.000 6.432) 6.709 15.913 ( 3.957 0.000 31.541) 31.788 16.034 ( -7.793 0.000 21.231) 22.616 16.640 ( 1.613 0.000 -21.861) 21.920 16.709 ( -5.092 0.000 -30.834) 31.251 30.879 ( -9.934 0.000 -0.604) 9.953 30.883 ( -10.315 0.000 -0.952) 10.358 33.225 ( 1.906 0.000 5.440) 5.764 33.237 ( 0.756 0.000 4.179) 4.247 38.347 ( 3.730 0.000 3.422) 5.062 38.412 ( -2.607 0.000 -3.189) 4.119 42.240 ( 5.557 0.000 1.895) 5.871 42.309 ( -1.211 0.000 -5.079) 5.221 ======================= Grid point 980 (175/189) ======================= q-point: ( 0.09 0.09 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.644 ( -2.579 -2.579 6.067) 7.080 4.709 ( 0.443 0.443 5.356) 5.392 6.179 ( -10.589 -10.589 -7.098) 16.572 6.519 ( 3.948 3.948 -7.243) 9.145 10.569 ( 2.978 2.978 12.102) 12.813 10.764 ( 7.283 7.283 3.684) 10.939 15.974 ( -2.442 -2.442 61.741) 61.837 16.706 ( -6.552 -6.552 2.671) 9.644 16.838 ( -0.078 -0.078 1.981) 1.984 17.194 ( -2.681 -2.681 -55.145) 55.276 32.370 ( -1.388 -1.388 3.747) 4.230 32.454 ( 2.695 2.695 3.931) 5.475 33.723 ( -51.768 -51.768 0.555) 73.213 35.367 ( -10.579 -10.579 1.865) 15.076 36.391 ( 0.537 0.537 -0.282) 0.810 37.913 ( 34.918 34.918 -3.287) 49.491 41.728 ( 2.441 2.441 21.335) 21.612 42.150 ( 1.627 1.627 -21.668) 21.790 ======================= Grid point 981 (176/189) ======================= q-point: ( 0.18 0.09 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.586 ( -2.992 -4.167 5.033) 7.187 4.706 ( -0.815 1.126 2.845) 3.166 5.978 ( -8.610 -12.221 -5.202) 15.829 6.536 ( -2.260 12.002 -6.164) 13.680 10.682 ( 7.964 -1.948 10.197) 13.084 10.938 ( 9.236 6.805 5.266) 12.623 15.909 ( -3.768 -3.783 55.001) 55.260 16.538 ( -9.774 -8.620 1.809) 13.157 16.815 ( -1.994 2.615 0.058) 3.289 17.116 ( -4.877 -1.133 -48.240) 48.499 32.310 ( -6.884 -0.558 3.791) 7.879 32.366 ( -21.954 -1.175 1.754) 22.055 32.876 ( -18.647 -38.273 1.703) 42.608 34.582 ( -46.786 32.382 1.819) 56.928 36.896 ( 31.352 -39.461 1.086) 50.411 38.450 ( 17.534 24.420 -3.577) 30.275 41.811 ( 5.876 3.942 19.262) 20.521 42.202 ( 3.504 3.208 -19.800) 20.362 ======================= Grid point 982 (177/189) ======================= q-point: ( 0.27 0.09 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.529 ( -2.422 -5.370 3.300) 6.753 4.675 ( -2.170 0.755 -0.831) 2.443 5.847 ( -3.977 -9.464 -2.196) 10.498 6.437 ( -7.116 16.385 -4.602) 18.447 10.875 ( 10.449 -5.011 9.073) 14.717 11.119 ( 8.059 4.427 6.042) 11.003 15.834 ( -3.271 -5.612 45.326) 45.789 16.320 ( -11.288 -9.986 2.573) 15.289 16.766 ( -2.520 4.834 -2.953) 6.200 17.002 ( -6.136 1.028 -39.929) 40.410 31.645 ( -35.394 -15.865 0.030) 38.787 32.067 ( -20.104 6.307 1.691) 21.138 32.871 ( 7.044 -10.922 4.040) 13.609 33.785 ( -28.255 26.573 2.800) 38.888 37.458 ( 23.238 -36.338 1.921) 43.175 38.638 ( 1.789 12.998 -3.193) 13.504 41.961 ( 8.500 4.627 14.145) 17.139 42.286 ( 4.317 5.050 -15.610) 16.965 ======================= Grid point 983 (178/189) ======================= q-point: ( 0.36 0.09 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.495 ( -0.735 -5.768 0.868) 5.879 4.619 ( -3.248 -0.912 -3.605) 4.937 5.823 ( 1.684 -3.181 0.222) 3.606 6.264 ( -9.425 16.046 -2.709) 18.805 11.082 ( 9.360 -5.662 8.277) 13.717 11.251 ( 4.612 1.239 6.617) 8.160 15.789 ( -0.849 -7.553 34.240) 35.073 16.095 ( -10.363 -10.582 6.391) 16.132 16.724 ( -1.380 6.235 -7.711) 10.012 16.877 ( -5.921 3.377 -31.420) 32.151 31.073 ( -19.726 -7.280 -0.491) 21.033 31.541 ( -28.154 13.920 0.200) 31.408 33.035 ( 8.327 -5.018 4.549) 10.734 33.432 ( -9.131 12.652 4.105) 16.134 37.849 ( 15.870 -27.335 1.832) 31.661 38.568 ( -7.508 2.609 -1.969) 8.189 42.139 ( 8.504 4.357 7.375) 12.070 42.359 ( 2.390 5.911 -9.971) 11.835 ======================= Grid point 984 (179/189) ======================= q-point: ( 0.45 0.09 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.503 ( 1.492 -5.032 -1.836) 5.560 4.552 ( -3.110 -3.205 -3.782) 5.852 5.909 ( 6.448 4.632 0.563) 7.959 6.071 ( -9.141 11.659 -0.767) 14.835 11.237 ( 5.472 -4.409 7.672) 10.403 11.296 ( -0.294 -1.916 7.145) 7.403 15.809 ( 3.006 -9.245 23.165) 25.122 15.914 ( -7.223 -10.331 13.478) 18.454 16.720 ( 1.155 6.456 -14.539) 15.950 16.773 ( -4.031 5.386 -22.796) 23.768 30.867 ( -0.338 3.413 -0.639) 3.488 31.052 ( -17.846 11.788 -0.470) 21.393 33.190 ( 6.671 -0.929 4.762) 8.249 33.306 ( -5.038 4.171 4.664) 8.033 38.132 ( 12.527 -17.075 0.917) 21.198 38.372 ( -11.100 -7.095 -0.468) 13.182 42.289 ( 5.901 4.550 1.137) 7.538 42.368 ( -1.689 5.418 -4.387) 7.173 ======================= Grid point 992 (180/189) ======================= q-point: ( 0.18 0.18 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.494 ( -4.645 -4.645 4.400) 7.906 4.707 ( -1.100 -1.100 -0.001) 1.555 5.785 ( -6.197 -6.197 -2.746) 9.184 6.717 ( 5.232 5.232 -5.336) 9.122 10.688 ( 2.761 2.761 8.948) 9.763 11.079 ( 6.575 6.575 6.412) 11.295 15.806 ( -5.881 -5.881 44.835) 45.600 16.330 ( -11.504 -11.504 0.043) 16.270 16.849 ( 0.825 0.825 -0.478) 1.261 17.081 ( -2.360 -2.360 -38.316) 38.462 31.915 ( -34.171 -34.171 0.018) 48.325 32.294 ( -2.309 -2.309 3.030) 4.454 32.617 ( 5.237 5.237 3.953) 8.395 34.809 ( -15.898 -15.898 2.813) 22.658 36.440 ( 2.078 2.078 -0.337) 2.958 38.763 ( 6.350 6.350 -2.143) 9.232 41.925 ( 6.941 6.941 15.626) 18.454 42.298 ( 5.941 5.941 -16.786) 18.771 ======================= Grid point 993 (181/189) ======================= q-point: ( 0.27 0.18 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.407 ( -3.700 -6.404 3.236) 8.073 4.657 ( -3.798 -2.683 -2.878) 5.469 5.740 ( 1.809 -0.726 -0.069) 1.950 6.738 ( -3.156 12.315 -4.125) 13.366 10.792 ( 7.160 -2.724 8.315) 11.306 11.193 ( 4.418 2.675 6.863) 8.589 15.686 ( -5.536 -8.320 32.637) 34.133 16.083 ( -12.332 -12.741 -0.874) 17.753 16.854 ( -0.239 3.544 -1.161) 3.737 17.022 ( -3.317 0.707 -27.988) 28.193 31.311 ( -23.470 -15.297 -0.115) 28.016 32.173 ( -10.982 3.879 2.401) 11.892 32.780 ( 9.609 0.896 4.065) 10.472 34.207 ( -33.068 11.526 2.995) 35.147 36.786 ( 23.909 -25.434 0.213) 34.909 38.737 ( -7.797 -2.829 -1.089) 8.365 42.082 ( 8.242 6.846 9.511) 14.327 42.425 ( 5.860 7.979 -11.633) 15.276 ======================= Grid point 994 (182/189) ======================= q-point: ( 0.36 0.18 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.355 ( -1.116 -7.743 1.554) 7.976 4.559 ( -5.596 -5.031 -3.565) 8.327 5.853 ( 8.963 6.053 0.776) 10.843 6.600 ( -9.913 16.123 -2.712) 19.120 10.959 ( 8.673 -6.103 7.884) 13.215 11.249 ( 0.956 -1.412 7.142) 7.343 15.597 ( -2.832 -10.488 21.009) 23.652 15.846 ( -10.623 -13.267 0.299) 16.998 16.848 ( -0.130 5.519 -2.826) 6.202 16.952 ( -3.409 3.560 -19.209) 19.831 30.994 ( -7.311 -0.207 -0.191) 7.316 31.821 ( -22.723 13.053 1.117) 26.229 32.986 ( 10.313 0.058 4.309) 11.178 33.669 ( -18.894 9.375 3.875) 21.445 37.272 ( 23.013 -27.153 0.572) 35.598 38.488 ( -15.748 -9.900 -0.240) 18.602 42.253 ( 8.321 6.474 3.981) 11.270 42.511 ( 2.188 8.238 -6.915) 10.976 ======================= Grid point 995 (183/189) ======================= q-point: ( 0.45 0.18 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.368 ( 2.357 -8.057 -0.434) 8.406 4.446 ( -5.072 -7.061 -2.358) 9.008 6.083 ( 13.030 12.054 0.034) 17.750 6.357 ( -13.346 15.805 -1.273) 20.725 11.122 ( 6.926 -6.627 7.596) 12.230 11.227 ( -3.193 -4.793 7.372) 9.355 15.583 ( 1.617 -12.105 11.302) 16.639 15.667 ( -6.633 -13.049 4.290) 15.254 16.855 ( 0.993 6.280 -6.398) 9.020 16.891 ( -2.463 5.579 -11.983) 13.446 31.016 ( 9.264 11.014 -0.132) 14.392 31.343 ( -21.688 16.312 0.216) 27.138 33.190 ( 9.683 0.830 4.511) 10.714 33.389 ( -10.485 3.621 4.462) 11.956 37.718 ( 20.927 -22.335 0.582) 30.613 38.127 ( -19.249 -16.185 0.311) 25.151 42.408 ( 6.571 6.636 -0.029) 9.339 42.505 ( -2.721 7.418 -3.319) 8.570 ======================= Grid point 1004 (184/189) ======================= q-point: ( 0.27 0.27 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.281 ( -5.637 -5.637 2.651) 8.401 4.566 ( -6.145 -6.145 -3.407) 9.335 5.819 ( 8.272 8.272 0.846) 11.728 6.907 ( 3.807 3.807 -3.224) 6.276 10.778 ( 1.506 1.506 8.049) 8.326 11.222 ( 0.080 0.080 7.190) 7.191 15.517 ( -7.762 -7.762 20.190) 22.981 15.819 ( -12.892 -12.892 -3.194) 18.509 16.910 ( 2.048 2.048 0.021) 2.896 17.026 ( -0.312 -0.312 -17.647) 17.653 31.081 ( -6.359 -6.359 0.084) 8.993 32.200 ( -2.196 -2.196 2.464) 3.964 32.865 ( 6.658 6.658 4.062) 10.255 34.159 ( -15.127 -15.127 3.391) 21.660 36.564 ( 3.923 3.923 -0.215) 5.551 38.556 ( -14.127 -14.127 0.006) 19.978 42.231 ( 7.752 7.752 4.709) 11.932 42.578 ( 6.378 6.378 -7.471) 11.712 ======================= Grid point 1005 (185/189) ======================= q-point: ( 0.36 0.27 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.193 ( -2.569 -7.763 1.588) 8.330 4.421 ( -7.675 -8.237 -2.421) 11.516 6.056 ( 14.412 13.389 0.484) 19.677 6.884 ( -5.939 10.955 -2.123) 12.640 10.851 ( 5.389 -4.090 7.871) 10.379 11.194 ( -2.858 -3.991 7.397) 8.878 15.388 ( -4.586 -9.569 10.084) 14.639 15.577 ( -10.484 -12.751 -3.731) 16.924 16.942 ( 1.229 3.702 0.128) 3.902 17.011 ( -1.051 2.211 -10.201) 10.490 31.072 ( 5.609 7.932 0.301) 9.719 32.047 ( -13.328 8.380 1.854) 15.852 33.028 ( 8.921 3.725 4.183) 10.533 33.763 ( -19.534 -0.996 3.796) 19.924 36.834 ( 19.417 -14.053 0.131) 23.969 38.197 ( -20.424 -17.967 0.559) 27.208 42.393 ( 7.933 7.114 1.438) 10.752 42.663 ( 1.706 6.128 -4.611) 7.856 ======================= Grid point 1006 (186/189) ======================= q-point: ( 0.45 0.27 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.187 ( 2.091 -9.260 0.283) 9.498 4.275 ( -6.183 -9.431 -1.068) 11.328 6.375 ( 16.198 16.011 -0.232) 22.777 6.683 ( -13.242 15.346 -1.085) 20.298 10.979 ( 6.752 -7.049 7.718) 12.443 11.108 ( -5.505 -6.745 7.568) 11.536 15.343 ( 0.369 -10.975 2.697) 11.307 15.407 ( -5.900 -12.051 -1.881) 13.549 16.964 ( 1.086 4.368 -1.483) 4.739 16.988 ( -1.207 3.857 -4.941) 6.383 31.300 ( 16.162 16.319 0.575) 22.975 31.686 ( -20.297 16.605 1.056) 26.246 33.218 ( 9.790 1.737 4.314) 10.839 33.439 ( -12.599 0.968 4.240) 13.329 37.276 ( 23.080 -19.837 0.503) 30.438 37.749 ( -23.069 -20.062 0.685) 30.580 42.543 ( 6.584 6.416 -0.767) 9.225 42.646 ( -3.200 6.024 -2.588) 7.296 ======================= Grid point 1016 (187/189) ======================= q-point: ( 0.36 0.36 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.059 ( -4.892 -4.892 1.042) 6.997 4.241 ( -8.920 -8.920 -1.271) 12.679 6.370 ( 16.711 16.711 0.166) 23.633 7.017 ( 1.648 1.648 -1.282) 2.660 10.808 ( 0.060 0.060 7.930) 7.930 11.092 ( -5.882 -5.882 7.605) 11.271 15.226 ( -6.055 -6.055 2.158) 8.830 15.344 ( -9.747 -9.747 -5.799) 14.954 17.001 ( 2.180 2.180 1.492) 3.425 17.042 ( 0.814 0.814 -4.402) 4.550 31.309 ( 14.910 14.910 0.807) 21.101 32.127 ( -1.283 -1.283 2.052) 2.740 33.126 ( 5.726 5.726 4.203) 9.123 33.636 ( -10.140 -10.140 3.939) 14.871 36.737 ( 4.148 4.148 0.114) 5.867 37.788 ( -21.589 -21.589 0.846) 30.544 42.535 ( 6.775 6.775 -0.119) 9.582 42.746 ( 1.868 1.868 -3.146) 4.108 ======================= Grid point 1017 (188/189) ======================= q-point: ( 0.45 0.36 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 1029 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.012 ( 0.542 -7.341 0.270) 7.366 4.082 ( -6.083 -8.872 -0.461) 10.767 6.702 ( 15.022 15.224 -0.074) 21.388 6.947 ( -8.307 9.789 -0.525) 12.849 10.854 ( 4.240 -4.847 7.908) 10.198 10.965 ( -6.261 -6.912 7.788) 12.150 15.153 ( -0.887 -7.372 -3.041) 8.024 15.193 ( -4.823 -8.627 -5.649) 11.384 17.033 ( 1.110 2.486 1.185) 2.969 17.047 ( -0.232 2.029 -0.769) 2.182 31.651 ( 17.796 17.366 1.274) 24.898 31.979 ( -12.893 11.076 1.730) 17.085 33.255 ( 7.043 1.868 4.257) 8.439 33.422 ( -9.627 -2.473 4.175) 10.781 36.957 ( 16.119 -10.634 0.414) 19.315 37.346 ( -21.194 -18.816 0.742) 28.352 42.660 ( 5.267 4.927 -1.179) 7.308 42.740 ( -2.312 3.050 -2.100) 4.365 ======================= Grid point 1028 (189/189) ======================= q-point: ( 0.45 0.45 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 Number of triplets: 564 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.913 ( -1.993 -1.993 -0.045) 2.819 3.940 ( -4.555 -4.555 -0.268) 6.448 6.959 ( 9.289 9.289 0.108) 13.137 7.054 ( 0.341 0.341 -0.035) 0.484 10.799 ( -0.247 -0.247 8.021) 8.029 10.844 ( -4.468 -4.468 7.970) 10.171 15.054 ( -2.193 -2.193 -6.290) 7.013 15.068 ( -3.532 -3.532 -7.140) 8.714 17.068 ( 0.928 0.928 2.090) 2.468 17.072 ( 0.484 0.484 1.446) 1.600 31.963 ( 12.048 12.048 1.780) 17.131 32.096 ( -0.331 -0.331 1.971) 2.026 33.296 ( 2.272 2.272 4.295) 5.364 33.355 ( -3.519 -3.519 4.258) 6.550 36.866 ( 1.799 1.799 0.408) 2.577 37.018 ( -12.564 -12.564 0.574) 17.778 42.740 ( 2.776 2.776 -1.461) 4.189 42.770 ( -0.084 -0.084 -1.743) 1.747 =================== 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 3/37026 10.0 271.956 271.956 603.919 0.000 0.000 0.000 3/37026 20.0 746.950 746.950 859.502 0.000 0.000 0.000 3/37026 30.0 479.292 479.292 473.646 0.000 0.000 0.000 3/37026 40.0 268.601 268.601 286.571 0.000 0.000 0.000 3/37026 50.0 175.219 175.219 192.982 -0.000 0.000 0.000 3/37026 60.0 131.074 131.074 143.265 -0.000 0.000 0.000 3/37026 70.0 106.581 106.581 115.575 -0.000 0.000 0.000 3/37026 80.0 90.961 90.961 98.956 -0.000 0.000 0.000 3/37026 90.0 79.929 79.929 88.089 -0.000 0.000 0.000 3/37026 100.0 71.570 71.570 80.378 0.000 0.000 0.000 3/37026 110.0 64.927 64.927 74.513 0.000 0.000 0.000 3/37026 120.0 59.472 59.472 69.802 0.000 -0.000 0.000 3/37026 130.0 54.887 54.887 65.856 0.000 -0.000 0.000 3/37026 140.0 50.964 50.964 62.450 0.000 -0.000 0.000 3/37026 150.0 47.560 47.560 59.442 0.000 -0.000 0.000 3/37026 160.0 44.574 44.574 56.741 0.000 -0.000 0.000 3/37026 170.0 41.927 41.927 54.284 0.000 -0.000 0.000 3/37026 180.0 39.562 39.562 52.027 0.000 -0.000 0.000 3/37026 190.0 37.431 37.431 49.936 0.000 -0.000 0.000 3/37026 200.0 35.500 35.500 47.988 0.000 -0.000 0.000 3/37026 210.0 33.738 33.738 46.163 0.000 -0.000 0.000 3/37026 220.0 32.123 32.123 44.448 0.000 -0.000 0.000 3/37026 230.0 30.637 30.637 42.831 0.000 -0.000 0.000 3/37026 240.0 29.263 29.263 41.303 0.000 -0.000 0.000 3/37026 250.0 27.988 27.988 39.857 0.000 -0.000 0.000 3/37026 260.0 26.804 26.804 38.486 0.000 -0.000 0.000 3/37026 270.0 25.699 25.699 37.185 0.000 -0.000 0.000 3/37026 280.0 24.668 24.668 35.951 0.000 -0.000 0.000 3/37026 290.0 23.704 23.704 34.778 0.000 -0.000 0.000 3/37026 300.0 22.800 22.800 33.664 0.000 -0.000 0.000 3/37026 310.0 21.952 21.952 32.605 0.000 -0.000 0.000 3/37026 320.0 21.156 21.156 31.599 0.000 -0.000 0.000 3/37026 330.0 20.407 20.407 30.641 0.000 -0.000 0.000 3/37026 340.0 19.702 19.702 29.730 0.000 -0.000 0.000 3/37026 350.0 19.038 19.038 28.864 0.000 -0.000 0.000 3/37026 360.0 18.411 18.411 28.039 0.000 -0.000 0.000 3/37026 370.0 17.820 17.820 27.253 0.000 -0.000 0.000 3/37026 380.0 17.262 17.262 26.504 0.000 -0.000 0.000 3/37026 390.0 16.733 16.733 25.791 0.000 -0.000 0.000 3/37026 400.0 16.234 16.234 25.111 0.000 -0.000 0.000 3/37026 410.0 15.760 15.760 24.462 0.000 -0.000 0.000 3/37026 420.0 15.311 15.311 23.843 0.000 -0.000 0.000 3/37026 430.0 14.885 14.885 23.251 0.000 -0.000 0.000 3/37026 440.0 14.481 14.481 22.686 0.000 -0.000 0.000 3/37026 450.0 14.096 14.096 22.146 0.000 -0.000 0.000 3/37026 460.0 13.730 13.730 21.629 0.000 -0.000 0.000 3/37026 470.0 13.382 13.382 21.134 0.000 -0.000 0.000 3/37026 480.0 13.050 13.050 20.660 0.000 -0.000 0.000 3/37026 490.0 12.734 12.734 20.206 0.000 -0.000 0.000 3/37026 500.0 12.431 12.431 19.770 0.000 -0.000 0.000 3/37026 510.0 12.143 12.143 19.352 0.000 -0.000 0.000 3/37026 520.0 11.867 11.867 18.951 0.000 -0.000 0.000 3/37026 530.0 11.603 11.603 18.565 0.000 -0.000 0.000 3/37026 540.0 11.350 11.350 18.194 0.000 -0.000 0.000 3/37026 550.0 11.108 11.108 17.838 0.000 -0.000 0.000 3/37026 560.0 10.876 10.876 17.495 0.000 -0.000 0.000 3/37026 570.0 10.653 10.653 17.164 0.000 -0.000 0.000 3/37026 580.0 10.439 10.439 16.846 0.000 -0.000 0.000 3/37026 590.0 10.234 10.234 16.539 0.000 -0.000 0.000 3/37026 600.0 10.036 10.036 16.242 0.000 -0.000 0.000 3/37026 610.0 9.846 9.846 15.957 0.000 -0.000 0.000 3/37026 620.0 9.663 9.663 15.681 0.000 -0.000 0.000 3/37026 630.0 9.486 9.486 15.414 0.000 -0.000 0.000 3/37026 640.0 9.316 9.316 15.156 0.000 -0.000 0.000 3/37026 650.0 9.152 9.152 14.907 0.000 -0.000 0.000 3/37026 660.0 8.994 8.994 14.665 0.000 -0.000 0.000 3/37026 670.0 8.841 8.841 14.432 0.000 -0.000 0.000 3/37026 680.0 8.693 8.693 14.205 0.000 -0.000 0.000 3/37026 690.0 8.550 8.550 13.986 0.000 -0.000 0.000 3/37026 700.0 8.412 8.412 13.774 0.000 -0.000 0.000 3/37026 710.0 8.278 8.278 13.567 0.000 -0.000 0.000 3/37026 720.0 8.149 8.149 13.367 0.000 -0.000 0.000 3/37026 730.0 8.023 8.023 13.173 0.000 -0.000 0.000 3/37026 740.0 7.902 7.902 12.985 0.000 -0.000 0.000 3/37026 750.0 7.784 7.784 12.801 0.000 -0.000 0.000 3/37026 760.0 7.670 7.670 12.623 0.000 -0.000 0.000 3/37026 770.0 7.559 7.559 12.450 0.000 -0.000 0.000 3/37026 780.0 7.451 7.451 12.282 0.000 -0.000 0.000 3/37026 790.0 7.346 7.346 12.118 0.000 -0.000 0.000 3/37026 800.0 7.245 7.245 11.958 0.000 -0.000 0.000 3/37026 810.0 7.146 7.146 11.803 0.000 -0.000 0.000 3/37026 820.0 7.050 7.050 11.652 0.000 -0.000 0.000 3/37026 830.0 6.956 6.956 11.504 0.000 -0.000 0.000 3/37026 840.0 6.865 6.865 11.361 0.000 -0.000 0.000 3/37026 850.0 6.776 6.776 11.220 0.000 -0.000 0.000 3/37026 860.0 6.690 6.690 11.084 0.000 -0.000 0.000 3/37026 870.0 6.606 6.606 10.951 0.000 -0.000 0.000 3/37026 880.0 6.524 6.524 10.821 0.000 -0.000 0.000 3/37026 890.0 6.444 6.444 10.694 0.000 -0.000 0.000 3/37026 900.0 6.366 6.366 10.570 0.000 -0.000 0.000 3/37026 910.0 6.290 6.290 10.448 0.000 -0.000 0.000 3/37026 920.0 6.216 6.216 10.330 0.000 -0.000 0.000 3/37026 930.0 6.144 6.144 10.215 0.000 -0.000 0.000 3/37026 940.0 6.073 6.073 10.101 0.000 -0.000 0.000 3/37026 950.0 6.004 6.004 9.991 0.000 -0.000 0.000 3/37026 960.0 5.936 5.936 9.883 0.000 -0.000 0.000 3/37026 970.0 5.870 5.870 9.777 0.000 -0.000 0.000 3/37026 980.0 5.806 5.806 9.674 0.000 -0.000 0.000 3/37026 990.0 5.743 5.743 9.572 0.000 -0.000 0.000 3/37026 1000.0 5.681 5.681 9.473 0.000 -0.000 0.000 3/37026 Thermal conductivity related properties were written into "kappa-m111117.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:33:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|