----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:42:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.005303133422991 1.157762303888562 6.683141539999991 b -2.005303133422987 1.157762303888562 6.683141539999991 c 0.000000000000002 -2.315524607777126 6.683141539999991 Atomic positions (fractional): *1 O 0.37694182081702 0.37694182081703 0.37694182081702 15.999 2 O 0.62305817918298 0.62305817918298 0.62305817918298 15.999 *3 F 0.87096255665612 0.87096255665612 0.87096255665612 18.998 4 F 0.12903744334388 0.12903744334388 0.12903744334388 18.998 *5 La 0.25820430337927 0.25820430337927 0.25820430337927 138.905 6 La 0.74179569662073 0.74179569662073 0.74179569662073 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.010606266845978 0.000000000000000 0.000000000000000 b -2.005303133422989 3.473286911665688 0.000000000000000 c 0.000000000000000 0.000000000000000 20.049424619999996 Atomic positions (fractional): *1 O 0.33333333333333 0.66666666666667 0.04360848748369 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.28972484584964 15.999 > 2 3 O 0.00000000000000 0.00000000000000 0.37694182081702 15.999 > 1 4 O 0.00000000000000 0.00000000000000 0.62305817918298 15.999 > 2 5 O 0.66666666666667 0.33333333333333 0.71027515415036 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.95639151251631 15.999 > 2 *7 F 0.66666666666667 0.33333333333333 0.20429588998945 18.998 > 3 8 F 0.00000000000000 0.00000000000000 0.12903744334388 18.998 > 4 9 F 0.33333333333333 0.66666666666667 0.53762922332279 18.998 > 3 10 F 0.66666666666667 0.33333333333333 0.46237077667721 18.998 > 4 11 F 0.00000000000000 0.00000000000000 0.87096255665612 18.998 > 3 12 F 0.33333333333333 0.66666666666667 0.79570411001054 18.998 > 4 *13 La 0.00000000000000 0.00000000000000 0.25820430337927 138.905 > 5 14 La 0.66666666666667 0.33333333333333 0.07512902995406 138.905 > 6 15 La 0.66666666666667 0.33333333333333 0.59153763671261 138.905 > 5 16 La 0.33333333333333 0.66666666666667 0.40846236328739 138.905 > 6 17 La 0.33333333333333 0.66666666666667 0.92487097004594 138.905 > 5 18 La 0.00000000000000 0.00000000000000 0.74179569662073 138.905 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.021212533691957 0.000000000000000 0.000000000000000 b -4.010606266845978 6.946573823331376 0.000000000000000 c 0.000000000000000 0.000000000000000 20.049424619999996 Atomic positions (fractional): *1 O 0.16666666666667 0.33333333333333 0.04360848748369 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.04360848748369 15.999 > 1 3 O 0.16666666666667 0.83333333333333 0.04360848748369 15.999 > 1 4 O 0.66666666666667 0.83333333333333 0.04360848748369 15.999 > 1 5 O 0.16666666666667 0.33333333333333 0.28972484584964 15.999 > 2 6 O 0.66666666666667 0.33333333333333 0.28972484584964 15.999 > 2 7 O 0.16666666666667 0.83333333333333 0.28972484584964 15.999 > 2 8 O 0.66666666666667 0.83333333333333 0.28972484584964 15.999 > 2 9 O 0.00000000000000 0.00000000000000 0.37694182081702 15.999 > 1 10 O 0.50000000000000 0.00000000000000 0.37694182081702 15.999 > 1 11 O 0.00000000000000 0.50000000000000 0.37694182081702 15.999 > 1 12 O 0.50000000000000 0.50000000000000 0.37694182081702 15.999 > 1 13 O 0.00000000000000 0.00000000000000 0.62305817918298 15.999 > 2 14 O 0.50000000000000 0.00000000000000 0.62305817918298 15.999 > 2 15 O 0.00000000000000 0.50000000000000 0.62305817918298 15.999 > 2 16 O 0.50000000000000 0.50000000000000 0.62305817918298 15.999 > 2 17 O 0.33333333333333 0.16666666666667 0.71027515415036 15.999 > 1 18 O 0.83333333333333 0.16666666666667 0.71027515415036 15.999 > 1 19 O 0.33333333333333 0.66666666666667 0.71027515415036 15.999 > 1 20 O 0.83333333333333 0.66666666666667 0.71027515415036 15.999 > 1 21 O 0.33333333333333 0.16666666666667 0.95639151251631 15.999 > 2 22 O 0.83333333333333 0.16666666666667 0.95639151251631 15.999 > 2 23 O 0.33333333333333 0.66666666666667 0.95639151251631 15.999 > 2 24 O 0.83333333333333 0.66666666666667 0.95639151251631 15.999 > 2 *25 F 0.33333333333333 0.16666666666667 0.20429588998945 18.998 > 3 26 F 0.83333333333333 0.16666666666667 0.20429588998945 18.998 > 3 27 F 0.33333333333333 0.66666666666667 0.20429588998945 18.998 > 3 28 F 0.83333333333333 0.66666666666667 0.20429588998945 18.998 > 3 29 F 0.00000000000000 0.00000000000000 0.12903744334388 18.998 > 4 30 F 0.50000000000000 0.00000000000000 0.12903744334388 18.998 > 4 31 F 0.00000000000000 0.50000000000000 0.12903744334388 18.998 > 4 32 F 0.50000000000000 0.50000000000000 0.12903744334388 18.998 > 4 33 F 0.16666666666667 0.33333333333333 0.53762922332279 18.998 > 3 34 F 0.66666666666667 0.33333333333333 0.53762922332279 18.998 > 3 35 F 0.16666666666667 0.83333333333333 0.53762922332279 18.998 > 3 36 F 0.66666666666667 0.83333333333333 0.53762922332279 18.998 > 3 37 F 0.33333333333333 0.16666666666667 0.46237077667721 18.998 > 4 38 F 0.83333333333333 0.16666666666667 0.46237077667721 18.998 > 4 39 F 0.33333333333333 0.66666666666667 0.46237077667721 18.998 > 4 40 F 0.83333333333333 0.66666666666667 0.46237077667721 18.998 > 4 41 F 0.00000000000000 0.00000000000000 0.87096255665612 18.998 > 3 42 F 0.50000000000000 0.00000000000000 0.87096255665612 18.998 > 3 43 F 0.00000000000000 0.50000000000000 0.87096255665612 18.998 > 3 44 F 0.50000000000000 0.50000000000000 0.87096255665612 18.998 > 3 45 F 0.16666666666667 0.33333333333333 0.79570411001054 18.998 > 4 46 F 0.66666666666667 0.33333333333333 0.79570411001054 18.998 > 4 47 F 0.16666666666667 0.83333333333333 0.79570411001054 18.998 > 4 48 F 0.66666666666667 0.83333333333333 0.79570411001054 18.998 > 4 *49 La 0.00000000000000 0.00000000000000 0.25820430337927 138.905 > 5 50 La 0.50000000000000 0.00000000000000 0.25820430337927 138.905 > 5 51 La 0.00000000000000 0.50000000000000 0.25820430337927 138.905 > 5 52 La 0.50000000000000 0.50000000000000 0.25820430337927 138.905 > 5 53 La 0.33333333333333 0.16666666666667 0.07512902995406 138.905 > 6 54 La 0.83333333333333 0.16666666666667 0.07512902995406 138.905 > 6 55 La 0.33333333333333 0.66666666666667 0.07512902995406 138.905 > 6 56 La 0.83333333333333 0.66666666666667 0.07512902995406 138.905 > 6 57 La 0.33333333333333 0.16666666666667 0.59153763671261 138.905 > 5 58 La 0.83333333333333 0.16666666666667 0.59153763671261 138.905 > 5 59 La 0.33333333333333 0.66666666666667 0.59153763671261 138.905 > 5 60 La 0.83333333333333 0.66666666666667 0.59153763671261 138.905 > 5 61 La 0.16666666666667 0.33333333333333 0.40846236328739 138.905 > 6 62 La 0.66666666666667 0.33333333333333 0.40846236328739 138.905 > 6 63 La 0.16666666666667 0.83333333333333 0.40846236328739 138.905 > 6 64 La 0.66666666666667 0.83333333333333 0.40846236328739 138.905 > 6 65 La 0.16666666666667 0.33333333333333 0.92487097004594 138.905 > 5 66 La 0.66666666666667 0.33333333333333 0.92487097004594 138.905 > 5 67 La 0.16666666666667 0.83333333333333 0.92487097004594 138.905 > 5 68 La 0.66666666666667 0.83333333333333 0.92487097004594 138.905 > 5 69 La 0.00000000000000 0.00000000000000 0.74179569662073 138.905 > 6 70 La 0.50000000000000 0.00000000000000 0.74179569662073 138.905 > 6 71 La 0.00000000000000 0.50000000000000 0.74179569662073 138.905 > 6 72 La 0.50000000000000 0.50000000000000 0.74179569662073 138.905 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7660872 0.0000000 0.0000000 0.0000000 3.7660872 0.0000000 0.0000000 0.0000000 3.4607083 -------------------------- Born effective charges -------------------------- 1 O -2.6679529 -0.0000000 0.0000000 0.0000000 -2.6679529 0.0000000 0.0000000 0.0000000 -1.9788459 2 O -2.6679529 -0.0000000 0.0000000 0.0000000 -2.6679529 0.0000000 0.0000000 0.0000000 -1.9788459 3 F -1.4114199 -0.0000000 0.0000000 0.0000000 -1.4114199 0.0000000 0.0000000 0.0000000 -1.7808776 4 F -1.4114199 -0.0000000 0.0000000 0.0000000 -1.4114199 0.0000000 0.0000000 0.0000000 -1.7808776 5 La 4.0793728 0.0000000 0.0000000 0.0000000 4.0793728 0.0000000 0.0000000 0.0000000 3.7597234 6 La 4.0793728 0.0000000 0.0000000 0.0000000 4.0793728 0.0000000 0.0000000 0.0000000 3.7597234 ---------------------------------------------------------------------------- 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: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 186 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 80 / 80 - Time: 0.109 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.113 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 186 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), 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 2026-01-07 22:42:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:42:37]------------------------- 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.005303133422991 1.157762303888562 6.683141539999991 b -2.005303133422987 1.157762303888562 6.683141539999991 c 0.000000000000002 -2.315524607777126 6.683141539999991 Atomic positions (fractional): 1 O 0.37694182081702 0.37694182081703 0.37694182081702 15.999 2 O 0.62305817918298 0.62305817918298 0.62305817918298 15.999 3 F 0.87096255665612 0.87096255665612 0.87096255665612 18.998 4 F 0.12903744334388 0.12903744334388 0.12903744334388 18.998 5 La 0.25820430337927 0.25820430337927 0.25820430337927 138.905 6 La 0.74179569662073 0.74179569662073 0.74179569662073 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.021212533691957 0.000000000000000 0.000000000000000 b -4.010606266845978 6.946573823331376 0.000000000000000 c 0.000000000000000 0.000000000000000 20.049424619999996 Atomic positions (fractional): 1 O 0.16666666666667 0.33333333333333 0.04360848748369 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.04360848748369 15.999 > 1 3 O 0.16666666666667 0.83333333333333 0.04360848748369 15.999 > 1 4 O 0.66666666666667 0.83333333333333 0.04360848748369 15.999 > 1 5 O 0.16666666666667 0.33333333333333 0.28972484584964 15.999 > 5 6 O 0.66666666666667 0.33333333333333 0.28972484584964 15.999 > 5 7 O 0.16666666666667 0.83333333333333 0.28972484584964 15.999 > 5 8 O 0.66666666666667 0.83333333333333 0.28972484584964 15.999 > 5 9 O 0.00000000000000 0.00000000000000 0.37694182081702 15.999 > 1 10 O 0.50000000000000 0.00000000000000 0.37694182081702 15.999 > 1 11 O 0.00000000000000 0.50000000000000 0.37694182081702 15.999 > 1 12 O 0.50000000000000 0.50000000000000 0.37694182081702 15.999 > 1 13 O 0.00000000000000 0.00000000000000 0.62305817918298 15.999 > 5 14 O 0.50000000000000 0.00000000000000 0.62305817918298 15.999 > 5 15 O 0.00000000000000 0.50000000000000 0.62305817918298 15.999 > 5 16 O 0.50000000000000 0.50000000000000 0.62305817918298 15.999 > 5 17 O 0.33333333333333 0.16666666666667 0.71027515415036 15.999 > 1 18 O 0.83333333333333 0.16666666666667 0.71027515415036 15.999 > 1 19 O 0.33333333333333 0.66666666666667 0.71027515415036 15.999 > 1 20 O 0.83333333333333 0.66666666666667 0.71027515415036 15.999 > 1 21 O 0.33333333333333 0.16666666666667 0.95639151251631 15.999 > 5 22 O 0.83333333333333 0.16666666666667 0.95639151251631 15.999 > 5 23 O 0.33333333333333 0.66666666666667 0.95639151251631 15.999 > 5 24 O 0.83333333333333 0.66666666666667 0.95639151251631 15.999 > 5 25 F 0.33333333333333 0.16666666666667 0.20429588998945 18.998 > 25 26 F 0.83333333333333 0.16666666666667 0.20429588998945 18.998 > 25 27 F 0.33333333333333 0.66666666666667 0.20429588998945 18.998 > 25 28 F 0.83333333333333 0.66666666666667 0.20429588998945 18.998 > 25 29 F 0.00000000000000 0.00000000000000 0.12903744334388 18.998 > 29 30 F 0.50000000000000 0.00000000000000 0.12903744334388 18.998 > 29 31 F 0.00000000000000 0.50000000000000 0.12903744334388 18.998 > 29 32 F 0.50000000000000 0.50000000000000 0.12903744334388 18.998 > 29 33 F 0.16666666666667 0.33333333333333 0.53762922332279 18.998 > 25 34 F 0.66666666666667 0.33333333333333 0.53762922332279 18.998 > 25 35 F 0.16666666666667 0.83333333333333 0.53762922332279 18.998 > 25 36 F 0.66666666666667 0.83333333333333 0.53762922332279 18.998 > 25 37 F 0.33333333333333 0.16666666666667 0.46237077667721 18.998 > 29 38 F 0.83333333333333 0.16666666666667 0.46237077667721 18.998 > 29 39 F 0.33333333333333 0.66666666666667 0.46237077667721 18.998 > 29 40 F 0.83333333333333 0.66666666666667 0.46237077667721 18.998 > 29 41 F 0.00000000000000 0.00000000000000 0.87096255665612 18.998 > 25 42 F 0.50000000000000 0.00000000000000 0.87096255665612 18.998 > 25 43 F 0.00000000000000 0.50000000000000 0.87096255665612 18.998 > 25 44 F 0.50000000000000 0.50000000000000 0.87096255665612 18.998 > 25 45 F 0.16666666666667 0.33333333333333 0.79570411001054 18.998 > 29 46 F 0.66666666666667 0.33333333333333 0.79570411001054 18.998 > 29 47 F 0.16666666666667 0.83333333333333 0.79570411001054 18.998 > 29 48 F 0.66666666666667 0.83333333333333 0.79570411001054 18.998 > 29 49 La 0.00000000000000 0.00000000000000 0.25820430337927 138.905 > 49 50 La 0.50000000000000 0.00000000000000 0.25820430337927 138.905 > 49 51 La 0.00000000000000 0.50000000000000 0.25820430337927 138.905 > 49 52 La 0.50000000000000 0.50000000000000 0.25820430337927 138.905 > 49 53 La 0.33333333333333 0.16666666666667 0.07512902995406 138.905 > 53 54 La 0.83333333333333 0.16666666666667 0.07512902995406 138.905 > 53 55 La 0.33333333333333 0.66666666666667 0.07512902995406 138.905 > 53 56 La 0.83333333333333 0.66666666666667 0.07512902995406 138.905 > 53 57 La 0.33333333333333 0.16666666666667 0.59153763671261 138.905 > 49 58 La 0.83333333333333 0.16666666666667 0.59153763671261 138.905 > 49 59 La 0.33333333333333 0.66666666666667 0.59153763671261 138.905 > 49 60 La 0.83333333333333 0.66666666666667 0.59153763671261 138.905 > 49 61 La 0.16666666666667 0.33333333333333 0.40846236328739 138.905 > 53 62 La 0.66666666666667 0.33333333333333 0.40846236328739 138.905 > 53 63 La 0.16666666666667 0.83333333333333 0.40846236328739 138.905 > 53 64 La 0.66666666666667 0.83333333333333 0.40846236328739 138.905 > 53 65 La 0.16666666666667 0.33333333333333 0.92487097004594 138.905 > 49 66 La 0.66666666666667 0.33333333333333 0.92487097004594 138.905 > 49 67 La 0.16666666666667 0.83333333333333 0.92487097004594 138.905 > 49 68 La 0.66666666666667 0.83333333333333 0.92487097004594 138.905 > 49 69 La 0.00000000000000 0.00000000000000 0.74179569662073 138.905 > 53 70 La 0.50000000000000 0.00000000000000 0.74179569662073 138.905 > 53 71 La 0.00000000000000 0.50000000000000 0.74179569662073 138.905 > 53 72 La 0.50000000000000 0.50000000000000 0.74179569662073 138.905 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7660872 0.0000000 0.0000000 0.0000000 3.7660872 0.0000000 0.0000000 0.0000000 3.4607083 -------------------------- Born effective charges -------------------------- 1 O -2.6679529 -0.0000000 0.0000000 0.0000000 -2.6679529 0.0000000 0.0000000 0.0000000 -1.9788459 2 O -2.6679529 -0.0000000 0.0000000 0.0000000 -2.6679529 0.0000000 0.0000000 0.0000000 -1.9788459 3 F -1.4114199 -0.0000000 0.0000000 0.0000000 -1.4114199 0.0000000 0.0000000 0.0000000 -1.7808776 4 F -1.4114199 -0.0000000 0.0000000 0.0000000 -1.4114199 0.0000000 0.0000000 0.0000000 -1.7808776 5 La 4.0793728 0.0000000 0.0000000 0.0000000 4.0793728 0.0000000 0.0000000 0.0000000 3.7597234 6 La 4.0793728 0.0000000 0.0000000 0.0000000 4.0793728 0.0000000 0.0000000 0.0000000 3.7597234 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xzx) -0.00000003 (xzx) -0.00000003 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:42:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:42:41]------------------------- 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.005303133422991 1.157762303888562 6.683141539999991 b -2.005303133422987 1.157762303888562 6.683141539999991 c 0.000000000000002 -2.315524607777126 6.683141539999991 Atomic positions (fractional): 1 O 0.37694182081702 0.37694182081703 0.37694182081702 15.999 2 O 0.62305817918298 0.62305817918298 0.62305817918298 15.999 3 F 0.87096255665612 0.87096255665612 0.87096255665612 18.998 4 F 0.12903744334388 0.12903744334388 0.12903744334388 18.998 5 La 0.25820430337927 0.25820430337927 0.25820430337927 138.905 6 La 0.74179569662073 0.74179569662073 0.74179569662073 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.021212533691957 0.000000000000000 0.000000000000000 b -4.010606266845978 6.946573823331376 0.000000000000000 c 0.000000000000000 0.000000000000000 20.049424619999996 Atomic positions (fractional): 1 O 0.16666666666667 0.33333333333333 0.04360848748369 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.04360848748369 15.999 > 1 3 O 0.16666666666667 0.83333333333333 0.04360848748369 15.999 > 1 4 O 0.66666666666667 0.83333333333333 0.04360848748369 15.999 > 1 5 O 0.16666666666667 0.33333333333333 0.28972484584964 15.999 > 5 6 O 0.66666666666667 0.33333333333333 0.28972484584964 15.999 > 5 7 O 0.16666666666667 0.83333333333333 0.28972484584964 15.999 > 5 8 O 0.66666666666667 0.83333333333333 0.28972484584964 15.999 > 5 9 O 0.00000000000000 0.00000000000000 0.37694182081702 15.999 > 1 10 O 0.50000000000000 0.00000000000000 0.37694182081702 15.999 > 1 11 O 0.00000000000000 0.50000000000000 0.37694182081702 15.999 > 1 12 O 0.50000000000000 0.50000000000000 0.37694182081702 15.999 > 1 13 O 0.00000000000000 0.00000000000000 0.62305817918298 15.999 > 5 14 O 0.50000000000000 0.00000000000000 0.62305817918298 15.999 > 5 15 O 0.00000000000000 0.50000000000000 0.62305817918298 15.999 > 5 16 O 0.50000000000000 0.50000000000000 0.62305817918298 15.999 > 5 17 O 0.33333333333333 0.16666666666667 0.71027515415036 15.999 > 1 18 O 0.83333333333333 0.16666666666667 0.71027515415036 15.999 > 1 19 O 0.33333333333333 0.66666666666667 0.71027515415036 15.999 > 1 20 O 0.83333333333333 0.66666666666667 0.71027515415036 15.999 > 1 21 O 0.33333333333333 0.16666666666667 0.95639151251631 15.999 > 5 22 O 0.83333333333333 0.16666666666667 0.95639151251631 15.999 > 5 23 O 0.33333333333333 0.66666666666667 0.95639151251631 15.999 > 5 24 O 0.83333333333333 0.66666666666667 0.95639151251631 15.999 > 5 25 F 0.33333333333333 0.16666666666667 0.20429588998945 18.998 > 25 26 F 0.83333333333333 0.16666666666667 0.20429588998945 18.998 > 25 27 F 0.33333333333333 0.66666666666667 0.20429588998945 18.998 > 25 28 F 0.83333333333333 0.66666666666667 0.20429588998945 18.998 > 25 29 F 0.00000000000000 0.00000000000000 0.12903744334388 18.998 > 29 30 F 0.50000000000000 0.00000000000000 0.12903744334388 18.998 > 29 31 F 0.00000000000000 0.50000000000000 0.12903744334388 18.998 > 29 32 F 0.50000000000000 0.50000000000000 0.12903744334388 18.998 > 29 33 F 0.16666666666667 0.33333333333333 0.53762922332279 18.998 > 25 34 F 0.66666666666667 0.33333333333333 0.53762922332279 18.998 > 25 35 F 0.16666666666667 0.83333333333333 0.53762922332279 18.998 > 25 36 F 0.66666666666667 0.83333333333333 0.53762922332279 18.998 > 25 37 F 0.33333333333333 0.16666666666667 0.46237077667721 18.998 > 29 38 F 0.83333333333333 0.16666666666667 0.46237077667721 18.998 > 29 39 F 0.33333333333333 0.66666666666667 0.46237077667721 18.998 > 29 40 F 0.83333333333333 0.66666666666667 0.46237077667721 18.998 > 29 41 F 0.00000000000000 0.00000000000000 0.87096255665612 18.998 > 25 42 F 0.50000000000000 0.00000000000000 0.87096255665612 18.998 > 25 43 F 0.00000000000000 0.50000000000000 0.87096255665612 18.998 > 25 44 F 0.50000000000000 0.50000000000000 0.87096255665612 18.998 > 25 45 F 0.16666666666667 0.33333333333333 0.79570411001054 18.998 > 29 46 F 0.66666666666667 0.33333333333333 0.79570411001054 18.998 > 29 47 F 0.16666666666667 0.83333333333333 0.79570411001054 18.998 > 29 48 F 0.66666666666667 0.83333333333333 0.79570411001054 18.998 > 29 49 La 0.00000000000000 0.00000000000000 0.25820430337927 138.905 > 49 50 La 0.50000000000000 0.00000000000000 0.25820430337927 138.905 > 49 51 La 0.00000000000000 0.50000000000000 0.25820430337927 138.905 > 49 52 La 0.50000000000000 0.50000000000000 0.25820430337927 138.905 > 49 53 La 0.33333333333333 0.16666666666667 0.07512902995406 138.905 > 53 54 La 0.83333333333333 0.16666666666667 0.07512902995406 138.905 > 53 55 La 0.33333333333333 0.66666666666667 0.07512902995406 138.905 > 53 56 La 0.83333333333333 0.66666666666667 0.07512902995406 138.905 > 53 57 La 0.33333333333333 0.16666666666667 0.59153763671261 138.905 > 49 58 La 0.83333333333333 0.16666666666667 0.59153763671261 138.905 > 49 59 La 0.33333333333333 0.66666666666667 0.59153763671261 138.905 > 49 60 La 0.83333333333333 0.66666666666667 0.59153763671261 138.905 > 49 61 La 0.16666666666667 0.33333333333333 0.40846236328739 138.905 > 53 62 La 0.66666666666667 0.33333333333333 0.40846236328739 138.905 > 53 63 La 0.16666666666667 0.83333333333333 0.40846236328739 138.905 > 53 64 La 0.66666666666667 0.83333333333333 0.40846236328739 138.905 > 53 65 La 0.16666666666667 0.33333333333333 0.92487097004594 138.905 > 49 66 La 0.66666666666667 0.33333333333333 0.92487097004594 138.905 > 49 67 La 0.16666666666667 0.83333333333333 0.92487097004594 138.905 > 49 68 La 0.66666666666667 0.83333333333333 0.92487097004594 138.905 > 49 69 La 0.00000000000000 0.00000000000000 0.74179569662073 138.905 > 53 70 La 0.50000000000000 0.00000000000000 0.74179569662073 138.905 > 53 71 La 0.00000000000000 0.50000000000000 0.74179569662073 138.905 > 53 72 La 0.50000000000000 0.50000000000000 0.74179569662073 138.905 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7660872 0.0000000 0.0000000 0.0000000 3.7660872 0.0000000 0.0000000 0.0000000 3.4607083 -------------------------- Born effective charges -------------------------- 1 O -2.6679529 -0.0000000 0.0000000 0.0000000 -2.6679529 0.0000000 0.0000000 0.0000000 -1.9788459 2 O -2.6679529 -0.0000000 0.0000000 0.0000000 -2.6679529 0.0000000 0.0000000 0.0000000 -1.9788459 3 F -1.4114199 -0.0000000 0.0000000 0.0000000 -1.4114199 0.0000000 0.0000000 0.0000000 -1.7808776 4 F -1.4114199 -0.0000000 0.0000000 0.0000000 -1.4114199 0.0000000 0.0000000 0.0000000 -1.7808776 5 La 4.0793728 0.0000000 0.0000000 0.0000000 4.0793728 0.0000000 0.0000000 0.0000000 3.7597234 6 La 4.0793728 0.0000000 0.0000000 0.0000000 4.0793728 0.0000000 0.0000000 0.0000000 3.7597234 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xzx) -0.00000003 (xzx) -0.00000003 (xxz) 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 ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.92, Number of G-points: 325, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 5.563 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.358 ( 0.000 0.000 0.000) 0.000 7.625 ( 0.000 0.000 0.000) 0.000 7.625 ( 0.000 0.000 0.000) 0.000 8.766 ( 0.000 0.000 0.000) 0.000 9.982 ( 0.000 0.000 0.000) 0.000 9.982 ( 0.000 0.000 0.000) 0.000 11.256 ( 0.000 0.000 0.000) 0.000 11.256 ( 0.000 0.000 0.000) 0.000 11.822 ( 0.000 0.000 0.000) 0.000 13.613 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 25.578 14.767 2.149) 29.612 0.652 ( 28.774 16.613 0.191) 33.226 1.131 ( 48.300 27.886 12.600) 57.177 3.106 ( 4.284 2.474 -0.362) 4.960 3.251 ( 16.785 9.691 -1.197) 19.419 5.549 ( -1.018 -0.588 -1.551) 1.946 6.340 ( -1.118 -0.645 -2.454) 2.773 6.342 ( -0.331 -0.191 -0.547) 0.667 7.393 ( -15.916 -9.189 -19.423) 26.740 7.639 ( 0.995 0.575 1.646) 2.008 8.060 ( -6.462 -3.731 29.380) 30.313 8.882 ( 7.834 4.523 -0.338) 9.052 9.934 ( -4.019 -2.321 -1.443) 4.860 11.199 ( -4.890 -2.823 -1.245) 5.782 11.247 ( -0.944 -0.545 0.827) 1.368 11.742 ( -6.131 -3.539 -4.758) 8.529 13.585 ( 6.573 3.795 -26.957) 28.005 15.625 ( -1.557 -0.899 8.737) 8.920 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 26.570 15.340 2.211) 30.760 1.264 ( 26.001 15.012 0.849) 30.036 2.206 ( 44.531 25.710 12.144) 52.835 3.231 ( 6.854 3.957 -0.987) 7.975 3.733 ( 25.687 14.830 -1.978) 29.726 5.506 ( -2.254 -1.301 -2.782) 3.810 6.295 ( -2.420 -1.397 -2.248) 3.587 6.331 ( -0.407 -0.235 -0.906) 1.021 6.900 ( -20.232 -11.681 -21.617) 31.829 7.677 ( 1.598 0.923 3.053) 3.567 8.002 ( -6.432 -3.714 19.752) 21.102 9.016 ( 3.401 1.964 -2.169) 4.486 9.802 ( -7.137 -4.121 -2.619) 8.648 11.039 ( -8.769 -5.063 -2.560) 10.444 11.222 ( -1.616 -0.933 1.398) 2.332 11.541 ( -9.833 -5.677 -5.676) 12.693 13.661 ( 5.231 3.020 -7.184) 9.386 15.608 ( -2.421 -1.398 6.302) 6.894 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 26.334 15.204 2.606) 30.519 1.802 ( 21.965 12.682 1.880) 25.433 3.166 ( 38.084 21.988 11.229) 45.387 3.385 ( 7.059 4.075 -1.948) 8.380 4.317 ( 26.451 15.271 -2.755) 30.667 5.433 ( -3.349 -1.933 -2.070) 4.386 6.173 ( -10.758 -6.211 0.790) 12.448 6.319 ( -0.438 -0.253 -0.828) 0.970 6.473 ( -8.132 -4.695 -20.857) 22.873 7.727 ( 1.910 1.103 3.700) 4.308 7.899 ( -7.886 -4.553 13.061) 15.922 8.991 ( -4.603 -2.657 -6.368) 8.295 9.612 ( -8.879 -5.126 -3.154) 10.727 10.805 ( -11.110 -6.414 -3.631) 13.333 11.188 ( -1.742 -1.006 1.547) 2.537 11.297 ( -10.372 -5.989 -3.095) 12.370 13.762 ( 5.131 2.963 -1.927) 6.231 15.554 ( -4.360 -2.517 6.212) 7.996 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 17.425 10.060 3.044) 20.350 2.326 ( 25.132 14.510 3.324) 29.210 3.517 ( 5.368 3.099 -3.053) 6.909 3.943 ( 28.317 16.349 9.088) 33.937 4.825 ( 18.798 10.853 -4.117) 22.093 5.368 ( -1.905 -1.100 3.633) 4.247 5.897 ( -9.394 -5.424 -1.884) 11.009 6.305 ( -0.748 -0.432 -0.230) 0.894 6.383 ( 1.809 1.044 -12.363) 12.538 7.742 ( -9.119 -5.265 7.341) 12.836 7.785 ( 2.297 1.326 3.125) 4.099 8.773 ( -11.964 -6.907 -11.665) 18.081 9.398 ( -9.301 -5.370 -2.765) 11.090 10.536 ( -11.677 -6.742 -3.736) 13.992 11.077 ( -8.786 -5.073 0.181) 10.147 11.159 ( -1.239 -0.715 1.296) 1.930 13.870 ( 4.916 2.839 -0.957) 5.757 15.459 ( -5.956 -3.439 6.199) 9.259 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 12.931 7.466 3.892) 15.431 2.878 ( 23.466 13.548 4.221) 27.423 3.597 ( 2.845 1.643 -3.870) 5.076 4.438 ( 13.282 7.668 3.905) 15.826 5.080 ( 5.481 3.164 1.547) 6.515 5.378 ( 1.667 0.963 4.243) 4.659 5.863 ( 6.026 3.479 2.378) 7.353 6.285 ( -1.075 -0.621 0.470) 1.327 6.413 ( 3.441 1.987 -7.540) 8.522 7.556 ( -8.664 -5.002 2.084) 10.219 7.848 ( 2.591 1.496 1.687) 3.435 8.410 ( -15.910 -9.186 -15.774) 24.214 9.191 ( -8.490 -4.902 -1.683) 9.947 10.279 ( -10.235 -5.909 -2.819) 12.150 10.911 ( -6.579 -3.798 1.941) 7.840 11.144 ( -0.442 -0.255 0.858) 0.998 13.969 ( 4.223 2.438 -1.159) 5.012 15.341 ( -6.188 -3.572 5.569) 9.059 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 8.394 4.846 3.736) 10.387 3.393 ( 21.562 12.449 5.080) 25.411 3.621 ( 0.674 0.389 -3.711) 3.792 4.527 ( -5.069 -2.927 -2.343) 6.305 5.166 ( 3.489 2.015 6.191) 7.387 5.518 ( 8.246 4.761 5.762) 11.129 6.035 ( 5.577 3.220 3.966) 7.563 6.264 ( -0.913 -0.527 0.682) 1.255 6.475 ( 3.685 2.128 -3.619) 5.586 7.393 ( -5.552 -3.205 -1.715) 6.636 7.906 ( 2.132 1.231 0.444) 2.501 8.006 ( -14.665 -8.467 -15.450) 22.923 9.022 ( -6.158 -3.556 -0.625) 7.139 10.078 ( -6.976 -4.027 -1.603) 8.213 10.798 ( -4.147 -2.394 1.926) 5.161 11.143 ( 0.094 0.054 0.453) 0.466 14.045 ( 2.928 1.690 -1.167) 3.576 15.234 ( -4.697 -2.712 3.999) 6.739 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( 3.063 1.768 1.698) 3.923 3.614 ( -0.126 -0.073 -1.689) 1.695 3.862 ( 18.844 10.879 5.467) 22.435 4.275 ( -14.715 -8.496 -4.990) 17.709 5.274 ( 3.168 1.829 3.192) 4.855 5.698 ( 4.885 2.821 4.160) 7.009 6.092 ( -0.360 -0.208 1.126) 1.200 6.251 ( -0.335 -0.193 0.305) 0.493 6.534 ( 1.740 1.005 -1.003) 2.246 7.317 ( -0.998 -0.576 -1.213) 1.673 7.715 ( -6.740 -3.891 -7.179) 10.588 7.940 ( 0.813 0.469 0.006) 0.939 8.925 ( -2.274 -1.313 -0.102) 2.628 9.968 ( -2.474 -1.428 -0.506) 2.901 10.741 ( -1.428 -0.824 0.768) 1.819 11.147 ( 0.114 0.066 0.138) 0.191 14.087 ( 1.063 0.613 -0.509) 1.328 15.169 ( -1.761 -1.017 1.478) 2.514 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 0.000 27.734 16.123) 32.080 0.715 ( 0.000 31.964 12.086) 34.173 1.110 ( 0.000 53.653 9.494) 54.486 3.099 ( -0.000 4.850 -1.769) 5.163 3.252 ( -0.000 19.509 -1.080) 19.539 5.543 ( -0.000 -0.934 -2.691) 2.849 6.332 ( -0.000 -1.223 -3.577) 3.780 6.348 ( 0.000 -0.191 0.492) 0.528 7.610 ( 0.000 -5.306 9.732) 11.085 7.619 ( -0.000 0.319 -2.361) 2.383 7.954 ( 0.000 -24.798 19.228) 31.379 8.875 ( -0.000 8.904 -1.733) 9.071 9.954 ( 0.000 -3.856 2.421) 4.553 11.206 ( -0.000 -5.238 0.021) 5.238 11.236 ( -0.000 -1.510 -1.271) 1.973 11.719 ( -0.000 -6.698 -9.373) 11.520 13.509 ( -0.000 23.626 -38.087) 44.820 15.599 ( 0.000 -7.467 3.855) 8.403 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 11.205 25.707 11.282) 30.227 1.200 ( 12.850 29.561 5.326) 32.670 1.923 ( 29.634 41.312 12.221) 52.289 3.198 ( 4.692 7.304 -2.133) 8.939 3.569 ( 13.057 23.503 -2.114) 26.970 5.513 ( -1.254 -1.087 -3.408) 3.791 6.295 ( -1.027 -1.687 -3.943) 4.410 6.329 ( -1.354 -1.111 -0.255) 1.770 7.159 ( -29.220 -9.175 -5.337) 31.088 7.624 ( 2.788 -3.470 4.359) 6.230 8.011 ( 8.262 -12.049 11.847) 18.809 8.987 ( 3.293 5.840 -2.292) 7.086 9.864 ( -5.661 -4.927 0.826) 7.551 11.083 ( -5.924 -8.053 -1.489) 10.107 11.229 ( 0.580 -1.296 -0.220) 1.437 11.567 ( -4.798 -8.726 -9.807) 13.977 13.645 ( 2.119 12.950 -8.182) 15.464 15.565 ( 3.073 -7.657 -0.490) 8.265 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 19.748 22.511 6.226) 30.585 1.704 ( 14.003 24.937 3.802) 28.851 2.837 ( 32.733 28.974 11.363) 45.167 3.363 ( 5.631 10.937 -1.960) 12.457 4.073 ( 20.993 21.534 -3.478) 30.274 5.460 ( -2.513 -0.853 -2.658) 3.756 6.244 ( -2.264 -2.293 -1.886) 3.734 6.277 ( -1.420 -4.606 -2.540) 5.449 6.602 ( -21.827 -8.844 -8.823) 25.149 7.658 ( 3.602 -4.157 4.197) 6.919 8.018 ( -1.262 -4.132 8.100) 9.180 9.021 ( -2.445 0.520 -4.844) 5.451 9.694 ( -8.192 -5.591 -1.065) 9.975 10.863 ( -8.537 -10.700 -2.565) 13.927 11.227 ( -0.518 0.380 0.364) 0.739 11.352 ( -6.838 -8.676 -7.040) 13.099 13.764 ( 1.023 8.962 1.248) 9.107 15.528 ( 1.912 -9.240 0.707) 9.462 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 21.411 19.484 3.562) 29.168 2.161 ( 13.023 21.466 4.271) 25.468 3.435 ( 10.415 6.564 -0.976) 12.349 3.735 ( 22.339 24.475 7.334) 33.939 4.601 ( 20.749 16.398 -5.103) 26.934 5.411 ( -2.337 0.644 1.841) 3.044 6.024 ( -13.831 -8.121 -1.956) 16.158 6.233 ( 2.192 -3.658 -4.927) 6.516 6.336 ( -2.061 -4.799 -2.949) 5.998 7.675 ( 1.925 -5.364 2.520) 6.231 7.966 ( -5.735 2.116 5.680) 8.344 8.872 ( -10.248 -4.220 -9.515) 14.607 9.489 ( -9.002 -5.540 -2.168) 10.790 10.590 ( -9.626 -12.158 -2.778) 15.754 11.126 ( -5.552 -9.302 -2.995) 11.239 11.247 ( -2.674 5.818 0.253) 6.408 13.860 ( 1.003 6.378 2.424) 6.896 15.451 ( 0.021 -11.206 2.585) 11.500 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 10.791 15.168 4.395) 19.126 2.679 ( 20.335 20.455 2.851) 28.984 3.575 ( 3.016 5.402 -3.785) 7.253 4.304 ( 17.068 15.036 3.671) 23.041 4.993 ( 12.247 9.633 -2.441) 15.771 5.412 ( -1.961 2.184 4.579) 5.438 5.829 ( -0.636 -1.574 3.550) 3.935 6.222 ( 2.645 -5.565 -2.158) 6.529 6.296 ( 4.190 -6.357 -2.166) 7.915 7.610 ( -3.938 -5.471 -1.339) 6.873 7.938 ( -4.163 6.155 5.104) 9.015 8.557 ( -15.875 -6.495 -13.765) 21.993 9.288 ( -8.385 -3.969 -2.667) 9.653 10.302 ( -8.856 -13.481 -2.060) 16.260 10.954 ( -4.475 -7.472 -0.607) 8.731 11.272 ( -4.267 10.859 0.522) 11.679 13.935 ( 1.770 3.208 1.216) 3.860 15.338 ( -0.952 -12.531 3.673) 13.093 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 6.640 12.604 4.555) 14.957 3.200 ( 19.038 17.194 1.793) 25.716 3.638 ( 0.424 5.584 -3.754) 6.742 4.561 ( 1.583 5.352 -4.391) 7.101 5.177 ( 1.624 4.134 5.933) 7.411 5.456 ( 5.371 4.284 4.175) 8.040 5.961 ( 8.265 2.365 8.311) 11.957 6.195 ( 2.923 -8.280 0.303) 8.786 6.333 ( 8.016 -6.378 -2.419) 10.526 7.455 ( -6.938 -3.784 -5.154) 9.436 7.964 ( -3.031 6.050 5.666) 8.826 8.175 ( -16.162 -3.853 -15.326) 22.604 9.126 ( -7.632 -0.092 -2.465) 8.020 10.039 ( -5.121 -15.312 -1.031) 16.179 10.830 ( -3.166 -5.114 0.261) 6.020 11.311 ( -6.663 15.458 0.438) 16.839 13.989 ( 2.906 -0.481 -0.085) 2.947 15.215 ( -0.403 -12.587 3.532) 13.079 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 1.449 10.104 2.918) 10.616 3.555 ( 6.997 1.706 -2.018) 7.479 3.778 ( 9.680 17.816 1.049) 20.303 4.449 ( -13.393 -0.172 -8.272) 15.743 5.261 ( 2.618 2.961 5.612) 6.864 5.635 ( 6.968 2.052 6.808) 9.956 6.073 ( 1.643 -2.489 3.492) 4.592 6.181 ( 4.313 -7.006 0.300) 8.232 6.408 ( 8.498 -6.936 -0.519) 10.982 7.313 ( -3.102 -2.825 -4.655) 6.267 7.841 ( -12.024 0.558 -3.854) 12.639 8.032 ( -3.001 8.017 -0.562) 8.578 9.021 ( -6.860 5.074 -1.583) 8.678 9.849 ( 1.467 -16.612 -0.406) 16.682 10.752 ( -1.617 -2.833 -0.225) 3.269 11.345 ( -9.151 18.388 0.299) 20.541 14.023 ( 3.732 -3.750 -0.517) 5.316 15.117 ( 1.612 -11.379 2.069) 11.677 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( -4.868 6.633 -0.848) 8.271 3.598 ( 1.483 -0.964 0.363) 1.806 4.119 ( -19.204 1.472 -7.576) 20.697 4.171 ( 11.549 14.264 0.940) 18.377 5.302 ( -1.806 -0.270 0.273) 1.847 5.702 ( -0.441 -3.924 0.252) 3.956 6.055 ( 1.633 -3.701 -0.931) 4.151 6.183 ( 3.244 -6.004 -1.008) 6.898 6.451 ( 5.315 -8.790 0.871) 10.309 7.290 ( 2.255 -0.610 3.698) 4.374 7.743 ( -2.501 6.650 0.162) 7.106 8.058 ( -4.126 7.996 3.758) 9.751 8.989 ( -4.810 9.142 -0.292) 10.334 9.779 ( 8.856 -15.212 -0.260) 17.604 10.721 ( 0.483 -1.033 -1.428) 1.828 11.357 ( -11.016 18.946 0.144) 21.916 14.038 ( 3.432 -5.466 0.066) 6.454 15.071 ( 4.691 -9.462 -0.454) 10.570 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( -10.099 2.902 -3.551) 11.092 3.562 ( -8.162 -5.242 -1.454) 9.809 3.760 ( -16.039 2.971 -2.051) 16.440 4.487 ( 7.527 11.392 -0.607) 13.668 5.209 ( -5.508 -1.408 -4.912) 7.513 5.577 ( -6.384 -5.117 -5.331) 9.765 6.041 ( -0.281 -4.489 -1.718) 4.815 6.169 ( 4.314 -8.046 -1.747) 9.295 6.424 ( 2.475 -10.632 2.540) 11.208 7.375 ( 3.004 4.298 7.262) 8.957 7.860 ( 5.887 5.727 0.510) 8.229 8.095 ( -2.207 9.832 11.074) 14.973 9.034 ( -0.991 9.929 1.026) 10.031 9.851 ( 14.343 -10.167 0.048) 17.581 10.740 ( 3.195 0.079 -2.677) 4.169 11.343 ( -11.535 17.180 -0.016) 20.693 14.031 ( 1.600 -5.106 1.132) 5.469 15.090 ( 8.087 -7.484 -3.288) 11.499 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( -14.161 0.235 -3.773) 14.657 3.166 ( -24.761 -6.324 -5.109) 26.061 3.675 ( -4.575 2.409 3.610) 6.306 4.561 ( -6.883 1.043 -3.633) 7.852 5.127 ( -2.825 1.790 -3.972) 5.193 5.413 ( -5.400 -1.647 -5.505) 7.885 5.913 ( -6.099 -7.442 -0.454) 9.632 6.181 ( 6.755 -7.475 -2.283) 10.331 6.370 ( 2.448 -10.712 4.766) 11.977 7.505 ( 3.485 6.578 4.790) 8.852 7.919 ( -2.591 3.628 -3.034) 5.393 8.335 ( 11.223 11.045 16.105) 22.524 9.148 ( 3.654 7.829 1.973) 8.862 10.049 ( 16.825 -3.844 1.024) 17.289 10.812 ( 6.378 0.632 -3.287) 7.203 11.308 ( -10.329 13.743 -0.165) 17.192 13.999 ( -1.274 -3.232 1.941) 3.980 15.169 ( 10.638 -5.755 -5.502) 13.288 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -18.294 -1.605 -2.621) 18.550 2.648 ( -28.002 -6.657 -3.645) 29.012 3.608 ( -6.468 -0.347 2.777) 7.048 4.250 ( -23.967 -6.820 -6.165) 25.670 5.025 ( -12.123 -3.735 2.614) 12.952 5.350 ( -0.217 1.972 -6.671) 6.960 5.826 ( 3.628 0.152 2.507) 4.413 6.224 ( 6.161 -5.251 -1.586) 8.249 6.343 ( 4.274 -9.876 6.776) 12.717 7.625 ( 3.027 3.195 1.447) 4.633 7.891 ( -3.729 6.093 -4.093) 8.233 8.688 ( 12.426 8.604 12.169) 19.404 9.314 ( 7.593 5.453 2.402) 9.652 10.323 ( 17.010 0.324 2.172) 17.151 10.944 ( 9.771 1.061 -2.636) 10.176 11.268 ( -7.614 9.613 -0.255) 12.266 13.940 ( -4.153 -1.015 2.252) 4.832 15.286 ( 11.297 -4.334 -6.555) 13.762 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -28.472 -8.628 -1.993) 29.817 2.134 ( -24.498 -0.806 -1.118) 24.537 3.434 ( -15.046 -8.654 -0.982) 17.386 3.675 ( -30.450 -3.309 -4.387) 30.942 4.638 ( -25.031 -9.526 1.560) 26.828 5.401 ( 3.554 2.508 0.346) 4.363 6.039 ( 12.819 7.816 0.979) 15.046 6.264 ( 3.695 -3.329 0.812) 5.039 6.398 ( 10.084 -5.924 9.421) 15.018 7.655 ( 0.679 -2.599 -1.738) 3.200 7.907 ( -0.958 8.067 -5.975) 10.085 8.954 ( 7.302 4.845 6.802) 11.093 9.512 ( 9.488 4.056 2.339) 10.581 10.616 ( 15.883 1.407 2.408) 16.126 11.136 ( 11.843 1.357 -1.019) 11.964 11.246 ( -3.331 6.017 0.101) 6.878 13.860 ( -6.070 0.548 2.437) 6.564 15.407 ( 9.799 -3.190 -6.319) 12.088 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -30.550 -7.039 -0.829) 31.361 1.687 ( -28.580 -0.737 0.355) 28.592 2.751 ( -44.074 -11.706 -5.436) 45.925 3.376 ( -11.830 0.710 0.414) 11.859 4.095 ( -29.280 -7.463 0.850) 30.228 5.480 ( 3.096 1.079 1.416) 3.572 6.250 ( 5.446 2.256 -0.428) 5.910 6.296 ( 2.891 -1.682 1.051) 3.506 6.712 ( 22.972 4.874 12.493) 26.600 7.617 ( 0.446 -4.030 -3.757) 5.527 7.943 ( 0.043 4.389 -6.845) 8.131 9.057 ( -0.206 1.077 2.204) 2.461 9.708 ( 9.068 2.502 1.655) 9.551 10.883 ( 13.733 1.028 1.472) 13.850 11.221 ( -0.301 1.608 -0.788) 1.816 11.397 ( 12.751 2.470 1.604) 13.086 13.771 ( -6.300 0.913 2.745) 6.933 15.502 ( 6.765 -1.977 -4.555) 8.392 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -30.440 0.000 0.000) 30.440 1.174 ( -32.750 0.000 0.000) 32.750 1.860 ( -52.688 0.000 0.000) 52.688 3.209 ( -8.603 0.000 0.000) 8.603 3.580 ( -26.965 0.000 0.000) 26.965 5.530 ( 2.012 -0.000 -0.000) 2.012 6.316 ( 2.388 -0.000 -0.000) 2.388 6.331 ( 1.675 -0.000 -0.000) 1.675 7.193 ( 24.287 -0.000 -0.000) 24.287 7.593 ( 1.105 -0.000 -0.000) 1.105 7.950 ( 0.841 -0.000 -0.000) 0.841 8.999 ( -6.802 0.000 0.000) 6.802 9.859 ( 7.001 -0.000 -0.000) 7.001 11.091 ( 9.947 -0.000 -0.000) 9.947 11.230 ( 0.824 -0.000 -0.000) 0.824 11.619 ( 11.171 -0.000 -0.000) 11.171 13.690 ( -4.611 0.000 0.000) 4.611 15.567 ( 3.453 -0.000 -0.000) 3.453 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.000 26.575 12.375) 29.315 1.368 ( 0.000 27.819 10.521) 29.742 2.167 ( 0.000 49.601 8.502) 50.324 3.212 ( -0.000 8.280 -2.951) 8.790 3.723 ( -0.000 28.852 -2.709) 28.979 5.505 ( -0.000 -0.479 -3.016) 3.054 6.265 ( -0.000 -3.268 -3.884) 5.077 6.342 ( 0.000 -0.857 0.041) 0.858 7.465 ( 0.000 -29.133 30.314) 42.043 7.617 ( -0.000 1.671 -2.547) 3.046 7.635 ( -0.000 -2.703 -15.775) 16.005 9.011 ( -0.000 5.941 -2.497) 6.444 9.861 ( 0.000 -7.888 3.014) 8.444 11.061 ( -0.000 -9.333 -0.641) 9.355 11.190 ( -0.000 -2.028 -1.590) 2.578 11.475 ( -0.000 -10.926 -10.843) 15.393 13.761 ( 0.000 14.431 1.051) 14.469 15.434 ( -0.000 -7.924 -8.162) 11.376 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 6.506 25.927 8.800) 28.142 1.770 ( 10.554 24.667 7.763) 27.930 2.786 ( 15.548 39.793 7.932) 43.453 3.350 ( 6.864 10.347 -3.010) 12.777 4.058 ( 8.187 27.605 -3.884) 29.054 5.486 ( -1.464 0.789 -1.371) 2.155 6.215 ( 0.198 -4.943 -2.706) 5.638 6.291 ( -4.091 -2.628 -1.223) 5.014 6.921 ( -27.893 -15.485 6.150) 32.490 7.584 ( 2.356 -1.972 0.935) 3.212 7.862 ( 13.617 -6.030 -0.547) 14.902 9.045 ( -0.773 1.737 -3.186) 3.710 9.746 ( -4.666 -8.473 1.874) 9.853 10.886 ( -7.434 -11.073 -1.197) 13.391 11.195 ( 1.785 -2.764 -2.403) 4.074 11.311 ( -1.812 -9.850 -7.994) 12.814 13.891 ( -1.475 11.373 8.068) 14.022 15.360 ( 3.764 -9.879 -8.430) 13.522 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 14.314 22.866 4.324) 27.321 2.208 ( 11.484 23.378 6.559) 26.860 3.339 ( 11.488 16.277 1.390) 19.971 3.671 ( 16.226 22.146 0.811) 27.467 4.470 ( 13.819 21.648 -4.835) 26.134 5.473 ( -2.129 3.194 2.492) 4.576 6.130 ( -9.187 -7.328 -4.327) 12.522 6.165 ( 1.417 -6.792 -0.663) 6.970 6.430 ( -17.936 -7.566 6.534) 20.534 7.616 ( 2.350 -0.619 -0.762) 2.547 7.964 ( 5.491 -3.689 -0.602) 6.642 8.957 ( -7.365 -3.491 -6.760) 10.589 9.572 ( -7.617 -7.072 1.045) 10.446 10.632 ( -9.101 -11.158 -1.136) 14.444 11.066 ( -2.598 -12.803 -6.558) 14.618 11.300 ( 2.343 3.983 -0.839) 4.697 13.978 ( -3.228 8.945 8.431) 12.709 15.288 ( 3.383 -13.725 -4.631) 14.875 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 14.414 16.441 3.025) 22.073 2.661 ( 12.800 25.838 4.586) 29.197 3.557 ( 4.872 7.189 -3.363) 9.313 4.186 ( 17.434 18.479 -0.977) 25.424 4.870 ( 14.107 14.793 -2.672) 20.615 5.503 ( -1.998 6.048 6.058) 8.790 5.880 ( -7.816 -6.089 1.404) 10.007 6.130 ( 3.900 -10.137 1.460) 10.959 6.207 ( -6.826 -4.685 4.903) 9.622 7.621 ( -1.554 0.712 -4.360) 4.684 7.998 ( 2.292 -1.208 0.223) 2.600 8.699 ( -13.353 -6.676 -11.236) 18.685 9.373 ( -8.480 -5.709 0.030) 10.223 10.366 ( -11.287 -8.793 -0.888) 14.336 10.899 ( -0.721 -11.791 -3.436) 12.303 11.400 ( 1.807 9.893 -0.529) 10.071 14.010 ( -4.196 5.718 5.815) 9.171 15.176 ( 2.490 -17.440 -0.862) 17.638 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 10.348 12.656 4.751) 17.024 3.140 ( 12.944 25.226 0.160) 28.353 3.659 ( 2.540 5.566 -4.161) 7.399 4.533 ( 8.913 10.337 -7.396) 15.524 5.188 ( 8.126 9.563 5.083) 13.539 5.495 ( -4.741 4.201 2.150) 6.690 5.881 ( 7.013 0.100 12.319) 14.176 6.074 ( 1.225 -12.971 5.331) 14.077 6.137 ( 3.202 -5.666 -0.005) 6.508 7.533 ( -7.208 0.645 -8.524) 11.182 8.036 ( 2.285 0.604 1.781) 2.959 8.348 ( -15.420 -5.776 -12.534) 20.694 9.211 ( -5.198 -2.624 -1.406) 5.990 10.079 ( -13.490 -7.498 -0.145) 15.435 10.792 ( 0.207 -8.388 -1.418) 8.510 11.539 ( -0.367 16.119 -0.344) 16.127 13.990 ( -3.496 0.795 2.768) 4.529 15.041 ( 2.926 -19.671 1.382) 19.935 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 5.124 11.602 5.057) 13.654 3.480 ( 5.096 9.903 -5.711) 12.517 3.810 ( 8.080 16.217 -0.880) 18.140 4.625 ( -5.156 8.025 -10.947) 14.520 5.298 ( -1.510 3.319 6.757) 7.678 5.575 ( 5.574 3.076 7.623) 9.931 6.001 ( 3.007 -12.168 3.584) 13.037 6.043 ( 4.732 -0.276 7.228) 8.644 6.166 ( 9.171 -9.837 2.361) 13.655 7.366 ( -7.878 -0.072 -8.831) 11.834 8.042 ( -11.792 -0.252 -11.206) 16.269 8.092 ( 1.652 1.265 4.472) 4.933 9.155 ( -1.483 4.083 -2.123) 4.836 9.784 ( -12.259 -8.734 1.103) 15.092 10.728 ( 0.117 -4.983 -1.294) 5.150 11.680 ( -5.048 21.897 -0.027) 22.472 13.938 ( -0.515 -4.985 0.636) 5.052 14.917 ( 4.703 -19.863 1.721) 20.485 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( -3.465 9.816 0.783) 10.438 3.546 ( 3.303 -0.245 -2.554) 4.182 4.166 ( 9.600 21.030 -1.752) 23.184 4.462 ( -18.094 9.053 -9.720) 22.446 5.325 ( -0.306 -0.133 4.040) 4.054 5.663 ( 1.072 -3.353 5.422) 6.465 5.954 ( 3.030 -9.703 1.403) 10.262 6.067 ( 2.289 -4.953 -3.292) 6.373 6.238 ( 8.406 -11.295 5.094) 14.973 7.284 ( -0.217 1.996 1.593) 2.562 7.886 ( -6.766 6.207 -7.542) 11.882 8.143 ( 1.415 0.348 4.890) 5.103 9.222 ( -2.033 15.531 -0.867) 15.687 9.535 ( -4.079 -13.759 1.888) 14.474 10.689 ( 0.507 -2.837 -2.333) 3.708 11.773 ( -11.209 24.666 0.267) 27.095 13.897 ( 3.765 -8.668 -0.035) 9.450 14.835 ( 7.280 -18.541 0.367) 19.922 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( -9.543 4.269 -4.093) 11.227 3.601 ( 1.112 1.700 2.076) 2.904 4.121 ( -22.464 5.151 -6.426) 23.926 4.521 ( 4.989 20.188 -3.652) 21.114 5.275 ( -4.903 -1.723 -1.303) 5.358 5.593 ( -3.420 -4.884 -3.032) 6.689 5.933 ( 4.476 -8.337 -0.245) 9.465 6.026 ( 1.538 -8.932 -2.626) 9.437 6.249 ( 5.362 -13.102 4.791) 14.946 7.394 ( 4.613 5.885 10.597) 12.970 7.879 ( -0.206 8.689 -6.312) 10.742 8.184 ( 1.755 -0.118 7.133) 7.346 9.270 ( -11.088 11.846 3.522) 16.604 9.513 ( 13.931 -4.395 0.149) 14.609 10.676 ( 2.043 -2.204 -3.754) 4.809 11.774 ( -15.838 22.208 0.381) 27.279 13.904 ( 6.170 -7.513 0.612) 9.741 14.810 ( 10.398 -16.463 -1.982) 19.572 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( -12.373 0.740 -4.201) 13.087 3.526 ( -18.254 4.043 -1.983) 18.802 3.823 ( -11.573 2.116 0.596) 11.780 4.681 ( -3.535 10.024 -4.743) 11.639 5.189 ( -3.155 3.316 -3.722) 5.900 5.472 ( -5.244 -1.385 -5.811) 7.949 5.904 ( -2.646 -9.629 0.032) 9.986 5.947 ( 7.275 -11.734 -1.513) 13.889 6.216 ( 4.004 -12.483 5.077) 14.059 7.562 ( 2.429 8.343 8.825) 12.384 7.955 ( 1.126 5.365 -5.125) 7.504 8.298 ( 8.548 3.206 10.067) 13.590 9.220 ( -2.246 1.275 3.822) 4.613 9.784 ( 13.308 8.923 1.623) 16.105 10.694 ( 4.947 -2.725 -4.761) 7.387 11.684 ( -16.612 15.827 0.349) 22.947 13.950 ( 4.344 -3.056 1.807) 5.610 14.855 ( 13.663 -13.556 -4.250) 19.711 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -15.465 -1.131 -2.678) 15.736 3.112 ( -30.538 2.790 -2.843) 30.796 3.726 ( -5.989 0.268 2.292) 6.418 4.546 ( -16.684 0.809 -3.907) 17.155 5.177 ( -5.597 3.646 1.815) 6.922 5.374 ( -3.651 2.054 -9.742) 10.604 5.775 ( 0.711 -6.686 3.120) 7.412 5.988 ( 9.991 -9.248 -2.991) 13.939 6.191 ( 4.042 -9.780 5.002) 11.705 7.677 ( -0.467 6.571 4.898) 8.209 7.967 ( -1.524 2.870 -3.570) 4.827 8.578 ( 13.939 5.573 8.526) 17.264 9.258 ( 4.732 0.024 2.955) 5.579 10.100 ( 12.905 9.123 2.334) 15.976 10.765 ( 9.079 -3.036 -4.342) 10.512 11.545 ( -14.008 9.056 0.294) 16.683 13.983 ( -0.090 0.435 2.319) 2.362 14.974 ( 15.530 -9.265 -5.020) 18.767 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -20.859 -2.255 -1.081) 21.008 2.604 ( -31.087 1.513 -1.161) 31.146 3.596 ( -10.219 -1.640 0.659) 10.371 4.145 ( -28.433 -1.092 -2.421) 28.557 4.962 ( -20.282 -3.085 1.017) 20.541 5.368 ( 2.544 2.064 -1.954) 3.814 5.905 ( 12.591 6.269 1.932) 14.198 6.080 ( 12.523 -7.995 -3.681) 15.306 6.198 ( 4.222 -6.223 4.370) 8.697 7.691 ( -3.691 1.683 1.749) 4.418 7.967 ( -0.815 3.207 -2.409) 4.093 8.862 ( 11.348 3.304 4.328) 12.587 9.389 ( 9.061 0.907 1.508) 9.231 10.389 ( 13.556 3.844 1.444) 14.165 10.918 ( 13.042 -1.356 -1.996) 13.264 11.409 ( -9.653 3.868 0.203) 10.401 13.963 ( -4.000 1.155 1.612) 4.464 15.148 ( 14.436 -4.251 -3.515) 15.454 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -30.307 0.000 0.000) 30.307 2.139 ( -26.274 0.000 0.000) 26.274 3.308 ( -26.394 0.000 0.000) 26.394 3.661 ( -24.174 0.000 0.000) 24.174 4.539 ( -27.276 0.000 0.000) 27.276 5.432 ( 3.584 -0.000 -0.000) 3.584 6.151 ( 8.177 -0.000 -0.000) 8.177 6.236 ( 3.396 -0.000 -0.000) 3.396 6.328 ( 24.337 -0.000 -0.000) 24.337 7.630 ( -3.730 0.000 0.000) 3.730 7.968 ( -0.874 0.000 0.000) 0.874 9.027 ( 5.571 -0.000 -0.000) 5.571 9.561 ( 10.071 -0.000 -0.000) 10.071 10.645 ( 15.038 -0.000 -0.000) 15.038 11.138 ( 13.103 -0.000 -0.000) 13.103 11.312 ( -3.528 0.000 0.000) 3.528 13.886 ( -6.072 0.000 0.000) 6.072 15.335 ( 10.927 -0.000 -0.000) 10.927 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 0.000 23.369 7.894) 24.666 1.910 ( 0.000 21.903 8.229) 23.398 3.096 ( 0.000 41.452 4.801) 41.729 3.365 ( -0.000 9.512 -3.335) 10.079 4.249 ( -0.000 27.031 -4.975) 27.485 5.516 ( 0.000 2.985 1.815) 3.493 6.138 ( -0.000 -8.818 -1.234) 8.904 6.306 ( -0.000 -2.407 -1.605) 2.893 7.050 ( 0.000 -24.086 10.122) 26.127 7.551 ( -0.000 -0.784 -5.203) 5.262 7.669 ( 0.000 4.932 0.319) 4.942 9.056 ( -0.000 0.253 -1.970) 1.986 9.685 ( 0.000 -11.992 1.096) 12.042 10.854 ( -0.000 -11.199 -0.997) 11.243 11.148 ( -0.000 -1.317 -0.735) 1.508 11.169 ( -0.000 -13.822 -9.320) 16.671 14.045 ( 0.000 9.017 14.430) 17.015 15.206 ( -0.000 -7.439 -14.078) 15.922 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 5.810 21.948 4.360) 23.119 2.238 ( 11.055 18.708 7.446) 22.971 3.412 ( 0.785 17.155 -1.417) 17.231 3.626 ( 13.380 23.759 -1.611) 27.315 4.519 ( 5.246 22.843 -4.350) 23.838 5.557 ( -1.104 4.728 6.418) 8.048 6.044 ( 0.699 -11.586 0.155) 11.609 6.208 ( -7.185 -4.231 -2.719) 8.771 6.701 ( -17.310 -10.863 6.908) 21.572 7.565 ( 3.215 0.747 -3.941) 5.140 7.808 ( 7.365 1.348 -0.123) 7.488 9.002 ( -4.547 -3.952 -3.678) 7.058 9.566 ( -0.617 -10.894 0.830) 10.943 10.661 ( -7.829 -11.719 0.498) 14.102 10.954 ( -3.214 -14.092 -9.151) 17.107 11.235 ( 7.715 0.868 -0.594) 7.787 14.150 ( -2.447 6.559 15.167) 16.705 15.102 ( 1.228 -8.880 -12.553) 15.425 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 10.522 17.712 2.024) 20.701 2.670 ( 15.828 19.839 5.934) 26.064 3.558 ( 2.560 9.419 -3.648) 10.420 4.064 ( 15.660 16.727 -6.881) 23.924 4.828 ( 8.978 18.374 -0.309) 20.453 5.618 ( -0.015 4.091 11.018) 11.753 5.911 ( -4.589 -11.320 -0.844) 12.244 6.034 ( -4.696 -4.661 1.484) 6.781 6.406 ( -14.482 -1.283 7.619) 16.414 7.623 ( 2.787 2.734 -5.402) 6.665 7.895 ( 4.083 -1.461 -2.530) 5.020 8.792 ( -10.598 -8.349 -8.428) 15.908 9.446 ( -5.172 -6.776 1.860) 8.725 10.439 ( -6.464 -8.989 1.627) 11.191 10.751 ( -0.469 -14.700 -7.421) 16.474 11.398 ( 7.702 6.625 -0.783) 10.190 14.186 ( -5.328 4.717 12.006) 13.956 14.972 ( 0.180 -13.785 -7.784) 15.832 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 11.357 12.562 2.704) 17.149 3.167 ( 16.166 23.682 2.373) 28.771 3.644 ( 1.676 4.428 -5.545) 7.291 4.405 ( 14.080 9.367 -10.956) 20.150 5.151 ( 9.761 13.216 4.813) 17.120 5.687 ( -6.793 7.970 4.931) 11.575 5.741 ( 4.139 -15.589 8.582) 18.270 5.980 ( -0.257 -1.900 6.575) 6.849 6.216 ( -10.986 -0.039 6.447) 12.739 7.636 ( -4.066 4.681 -7.980) 10.106 7.925 ( 5.262 -4.777 -3.822) 8.070 8.471 ( -12.583 -9.011 -11.209) 19.109 9.285 ( -7.477 -3.759 2.551) 8.749 10.255 ( -10.668 -2.689 -0.566) 11.016 10.637 ( 5.179 -13.151 -2.713) 14.393 11.613 ( 7.345 12.806 -1.093) 14.803 14.138 ( -8.587 2.479 7.588) 11.724 14.798 ( 0.863 -19.729 -3.195) 20.005 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 10.452 9.241 4.040) 14.524 3.547 ( -0.553 13.119 -6.752) 14.765 3.770 ( 14.200 13.188 -1.290) 19.423 4.645 ( 8.532 9.020 -11.477) 16.908 5.384 ( 2.329 4.992 6.993) 8.902 5.600 ( -4.633 3.826 3.640) 7.025 5.784 ( 8.849 -14.416 8.972) 19.147 6.028 ( 1.834 1.419 10.928) 11.171 6.076 ( -6.437 -2.960 4.571) 8.432 7.508 ( -10.973 3.023 -10.278) 15.336 7.960 ( 6.699 -6.410 -5.664) 10.865 8.187 ( -8.398 -4.242 -7.528) 12.049 9.187 ( -2.793 0.164 3.628) 4.581 10.018 ( -15.518 0.616 -1.944) 15.651 10.625 ( 5.094 -7.863 -0.681) 9.394 11.875 ( 5.543 19.286 -0.920) 20.088 14.000 ( -10.213 -1.750 3.424) 10.913 14.621 ( 4.331 -23.909 -0.138) 24.299 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 6.376 7.847 4.491) 11.063 3.513 ( -2.981 0.536 -8.088) 8.637 4.201 ( 12.489 22.888 -2.633) 26.206 4.756 ( -4.913 13.333 -11.467) 18.259 5.360 ( -4.443 -2.054 6.223) 7.917 5.646 ( 1.555 -1.461 7.603) 7.897 5.804 ( 5.032 -10.558 6.369) 13.317 5.969 ( -0.957 -7.437 -1.703) 7.690 6.087 ( 1.551 -3.510 7.820) 8.711 7.353 ( -5.407 3.083 -3.040) 6.927 7.957 ( 0.796 -1.353 -10.192) 10.312 8.087 ( 1.262 -3.329 -0.217) 3.566 9.217 ( 2.880 1.279 5.113) 6.006 9.769 ( -16.287 6.244 -1.220) 17.485 10.627 ( 2.324 -4.273 -1.752) 5.170 12.131 ( -1.331 24.919 -0.266) 24.956 13.818 ( -5.763 -7.545 0.887) 9.536 14.493 ( 8.249 -24.622 0.494) 25.971 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.336 ( -7.872 1.692 -4.769) 9.358 3.566 ( 6.785 3.166 2.465) 7.883 4.481 ( -8.503 14.265 -6.783) 17.939 4.712 ( -6.654 21.341 -6.673) 23.329 5.308 ( -1.341 -3.877 3.973) 5.711 5.606 ( -4.044 -3.710 1.235) 5.625 5.788 ( 2.597 -9.355 4.710) 10.791 5.892 ( 2.914 -10.549 -4.599) 11.871 6.075 ( 2.453 -8.724 4.553) 10.141 7.410 ( 4.389 6.861 8.833) 12.015 7.937 ( -0.383 4.136 -8.955) 9.871 8.102 ( 5.000 -5.680 0.285) 7.572 9.259 ( 1.585 -8.439 4.002) 9.474 9.678 ( -7.891 21.065 2.695) 22.655 10.606 ( 1.055 -3.949 -3.914) 5.659 12.254 ( -13.556 24.028 0.398) 27.591 13.726 ( 4.668 -7.705 0.245) 9.012 14.428 ( 11.651 -23.019 -0.738) 25.810 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( -10.043 -0.409 -4.037) 10.832 3.694 ( 2.098 4.626 2.933) 5.865 4.193 ( -26.825 5.081 -4.536) 27.676 4.853 ( -4.188 15.677 -5.805) 17.233 5.262 ( -2.231 2.943 0.022) 3.693 5.517 ( -3.425 0.124 -5.187) 6.217 5.749 ( 3.061 -12.181 3.041) 12.923 5.816 ( 1.679 -10.418 -0.505) 10.565 6.050 ( 3.825 -9.704 3.900) 11.136 7.618 ( 5.009 9.066 10.523) 14.766 7.961 ( 1.310 2.980 -5.826) 6.674 8.164 ( 9.203 -3.274 0.860) 9.806 9.176 ( 0.278 -9.131 1.906) 9.332 9.878 ( 0.726 23.988 6.363) 24.828 10.567 ( 2.622 -6.507 -5.989) 9.224 12.144 ( -20.689 14.279 0.461) 25.142 13.821 ( 9.169 0.012 1.226) 9.251 14.442 ( 15.398 -19.043 -2.554) 24.622 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -12.506 -0.652 -1.890) 12.665 3.652 ( -25.575 7.654 -0.542) 26.701 3.812 ( -7.659 -3.459 0.235) 8.407 4.789 ( -11.309 3.649 -2.578) 12.160 5.303 ( -2.369 8.616 1.342) 9.036 5.436 ( -4.910 1.280 -9.793) 11.029 5.665 ( 2.269 -12.440 4.773) 13.516 5.796 ( 4.510 -4.360 -0.257) 6.278 6.053 ( 4.609 -5.908 2.520) 7.906 7.762 ( -0.007 6.208 4.624) 7.741 7.973 ( 0.786 -0.558 -2.696) 2.863 8.381 ( 15.769 1.500 2.499) 16.036 9.152 ( 4.645 -4.745 1.143) 6.738 10.128 ( 1.711 16.613 5.377) 17.545 10.556 ( 8.041 -7.628 -5.509) 12.378 11.895 ( -19.400 5.402 0.244) 20.140 13.966 ( 4.462 2.521 1.620) 5.375 14.577 ( 18.969 -9.896 -2.739) 21.570 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -15.932 0.000 0.000) 15.932 3.150 ( -33.043 0.000 0.000) 33.043 3.728 ( -6.009 0.000 0.000) 6.009 4.545 ( -19.804 0.000 0.000) 19.804 5.241 ( -13.653 0.000 0.000) 13.653 5.350 ( -0.090 0.000 0.000) 0.090 5.725 ( 10.757 -0.000 -0.000) 10.757 5.867 ( 6.987 -0.000 -0.000) 6.987 6.106 ( 4.486 -0.000 -0.000) 4.486 7.769 ( -3.166 0.000 0.000) 3.166 7.978 ( 0.446 -0.000 -0.000) 0.446 8.663 ( 15.192 -0.000 -0.000) 15.192 9.244 ( 8.295 -0.000 -0.000) 8.295 10.263 ( 5.443 -0.000 -0.000) 5.443 10.687 ( 12.444 -0.000 -0.000) 12.444 11.633 ( -14.879 0.000 0.000) 14.879 14.011 ( -0.469 0.000 0.000) 0.469 14.844 ( 18.195 -0.000 -0.000) 18.195 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 0.000 18.847 3.858) 19.238 2.316 ( 0.000 15.693 5.814) 16.735 3.520 ( -0.000 8.651 -3.099) 9.189 3.750 ( -0.000 24.771 -5.946) 25.475 4.682 ( -0.000 21.890 -1.381) 21.933 5.607 ( 0.000 -4.596 11.622) 12.498 5.961 ( -0.000 -2.462 -0.463) 2.505 6.233 ( -0.000 -3.351 -2.819) 4.379 6.728 ( -0.000 -12.724 -0.543) 12.736 7.539 ( -0.000 2.421 -1.838) 3.040 7.811 ( 0.000 7.974 3.976) 8.910 8.999 ( -0.000 -4.810 -1.527) 5.047 9.422 ( -0.000 -14.652 -1.869) 14.771 10.635 ( 0.000 -11.123 0.528) 11.136 10.829 ( -0.000 -14.937 -9.087) 17.484 11.132 ( 0.000 -0.308 0.304) 0.433 14.263 ( 0.000 1.787 16.781) 16.876 14.997 ( -0.000 -3.287 -14.329) 14.701 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 5.000 16.538 1.484) 17.341 2.588 ( 13.122 13.372 5.245) 19.455 3.606 ( 1.506 8.295 -3.284) 9.048 3.970 ( 7.989 12.345 -11.999) 18.978 4.922 ( 3.345 20.803 3.106) 21.298 5.550 ( 2.654 -17.774 12.543) 21.915 5.985 ( -3.633 10.566 1.141) 11.231 6.119 ( -7.312 -2.966 -1.674) 8.066 6.581 ( -5.757 -5.310 0.962) 7.890 7.573 ( 1.540 3.064 -2.563) 4.281 7.899 ( -0.805 6.306 2.318) 6.767 8.846 ( -9.012 -9.079 -5.088) 13.767 9.359 ( 6.595 -10.166 -0.551) 12.130 10.449 ( -7.451 -12.329 4.523) 15.099 10.619 ( -2.860 -12.725 -10.905) 17.001 11.266 ( 12.350 2.291 0.021) 12.561 14.299 ( -1.403 -2.156 13.247) 13.494 14.901 ( -4.240 -2.570 -10.170) 11.315 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 8.197 12.297 1.516) 14.857 3.030 ( 21.620 14.318 2.773) 26.079 3.674 ( -0.667 5.979 -5.528) 8.171 4.191 ( 14.226 5.099 -12.666) 19.718 5.188 ( 4.682 15.974 5.284) 17.465 5.477 ( 6.353 -19.732 11.247) 23.584 5.947 ( -9.580 5.437 0.618) 11.033 6.058 ( -3.564 7.336 6.036) 10.146 6.434 ( -9.989 -0.482 4.200) 10.847 7.631 ( 3.719 1.869 -4.443) 6.088 7.900 ( -4.809 3.247 -1.979) 6.131 8.538 ( -12.010 -11.437 -9.348) 19.038 9.352 ( -1.242 -3.700 1.200) 4.083 10.301 ( 1.860 -9.528 6.592) 11.734 10.425 ( -2.261 -11.690 -10.053) 15.583 11.538 ( 13.870 8.190 -0.627) 16.120 14.264 ( -2.719 -5.916 9.266) 11.325 14.721 ( -9.791 -5.328 -5.763) 12.548 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 9.859 8.558 2.185) 13.237 3.565 ( 24.151 13.402 -0.071) 27.620 3.658 ( -3.486 5.026 -7.275) 9.505 4.459 ( 16.404 4.675 -9.994) 19.769 5.365 ( 4.906 -2.380 4.934) 7.354 5.496 ( 7.916 -6.138 9.413) 13.746 5.859 ( -9.674 7.137 2.944) 12.377 6.092 ( -2.603 4.772 9.566) 11.002 6.265 ( -12.307 0.447 6.038) 13.716 7.679 ( -2.328 4.565 -7.343) 8.954 7.789 ( -3.567 -4.911 -6.332) 8.771 8.224 ( -7.987 -9.338 -8.307) 14.832 9.285 ( -4.792 1.660 4.677) 6.899 10.202 ( -8.833 -3.215 -7.182) 11.830 10.390 ( 12.320 -10.411 3.552) 16.516 11.875 ( 13.617 14.930 -1.013) 20.233 14.160 ( -4.634 -8.207 6.397) 11.390 14.443 ( -11.778 -11.127 -3.206) 16.517 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 10.297 5.715 2.694) 12.081 3.566 ( -4.644 -0.622 -7.386) 8.747 4.117 ( 21.269 18.469 -1.958) 28.237 4.739 ( 13.327 7.242 -8.143) 17.215 5.384 ( 3.056 -8.492 3.564) 9.703 5.610 ( 5.473 -2.988 7.545) 9.788 5.754 ( -10.720 3.598 3.935) 11.973 6.077 ( -12.581 -0.938 6.325) 14.113 6.112 ( -2.399 0.383 7.366) 7.756 7.501 ( -11.362 1.857 -7.335) 13.651 7.790 ( 7.509 -5.239 -6.569) 11.268 8.061 ( -2.031 -4.507 -5.313) 7.258 9.282 ( -2.859 5.315 8.485) 10.412 10.000 ( -8.668 -0.994 -7.532) 11.526 10.507 ( 7.592 -4.313 2.086) 8.977 12.262 ( 11.784 21.231 -0.858) 24.297 13.974 ( -14.527 -3.547 3.309) 15.316 14.148 ( 0.258 -23.565 -1.196) 23.597 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( -3.867 0.683 -2.600) 4.710 3.466 ( 7.323 1.935 -0.216) 7.578 4.583 ( 12.793 17.802 -4.197) 22.320 4.950 ( 2.629 12.211 -8.362) 15.032 5.318 ( -4.605 -4.292 4.640) 7.820 5.624 ( -3.360 -4.302 4.790) 7.263 5.662 ( 4.195 -9.298 4.913) 11.322 5.862 ( -12.579 -3.266 2.361) 13.209 6.054 ( -4.094 -2.615 0.924) 4.945 7.442 ( 1.580 5.286 4.057) 6.848 7.840 ( 6.892 -5.172 -6.695) 10.912 8.003 ( 0.628 -2.196 -5.015) 5.511 9.287 ( -5.725 1.285 7.467) 9.496 9.912 ( -1.712 7.787 -3.111) 8.558 10.549 ( 1.020 -2.636 -0.834) 2.947 12.614 ( 1.072 24.343 -0.111) 24.367 13.689 ( -10.211 -5.531 0.452) 11.621 14.007 ( 9.609 -24.832 0.042) 26.626 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( -7.915 -0.568 -2.562) 8.339 3.642 ( 7.790 1.911 1.583) 8.176 4.654 ( -19.776 6.695 -3.640) 21.193 5.045 ( -2.569 13.121 -5.920) 14.623 5.289 ( 3.133 1.696 4.215) 5.519 5.570 ( -0.806 -1.890 1.684) 2.656 5.635 ( -5.210 -8.255 -5.240) 11.079 5.662 ( 3.189 -8.667 6.238) 11.145 5.974 ( -1.633 -3.089 0.569) 3.540 7.635 ( 7.982 9.256 10.028) 15.810 7.868 ( 6.369 -7.373 -6.330) 11.619 8.008 ( 3.776 -0.298 -4.080) 5.567 9.174 ( -6.768 -2.690 2.399) 7.668 10.063 ( 5.315 13.612 3.500) 15.026 10.482 ( -3.388 -5.529 -3.694) 7.463 12.625 ( -20.702 11.590 0.317) 23.728 13.687 ( 9.385 5.549 0.514) 10.915 13.983 ( 14.754 -20.863 -0.966) 25.572 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( -9.953 0.000 0.000) 9.953 3.757 ( 4.219 -0.000 -0.000) 4.219 4.230 ( -30.629 0.000 0.000) 30.629 4.975 ( -9.328 0.000 0.000) 9.328 5.420 ( 2.780 -0.000 -0.000) 2.780 5.458 ( -6.018 0.000 0.000) 6.018 5.571 ( 1.422 -0.000 -0.000) 1.422 5.701 ( 4.514 -0.000 -0.000) 4.514 5.964 ( 2.519 -0.000 -0.000) 2.519 7.807 ( 0.906 -0.000 -0.000) 0.906 7.911 ( 5.673 -0.000 -0.000) 5.673 8.132 ( 13.127 -0.000 -0.000) 13.127 9.091 ( -0.934 0.000 0.000) 0.934 10.314 ( 10.434 -0.000 -0.000) 10.434 10.318 ( -6.922 0.000 0.000) 6.922 12.285 ( -23.600 0.000 0.000) 23.600 13.892 ( 7.151 -0.000 -0.000) 7.151 14.171 ( 21.289 -0.000 -0.000) 21.289 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 0.000 14.146 1.184) 14.195 2.595 ( 0.000 10.229 3.763) 10.899 3.648 ( -0.000 6.502 -2.488) 6.962 3.948 ( -0.000 5.449 -15.199) 16.146 5.114 ( 0.000 20.360 4.991) 20.963 5.370 ( 0.000 -21.191 11.518) 24.118 6.148 ( 0.000 13.439 2.876) 13.744 6.157 ( -0.000 -2.436 -2.419) 3.433 6.543 ( -0.000 -4.625 -4.349) 6.349 7.618 ( 0.000 5.807 0.589) 5.837 8.003 ( 0.000 7.880 5.699) 9.725 8.863 ( -0.000 -7.752 -2.080) 8.026 9.121 ( -0.000 -14.024 -3.847) 14.542 10.437 ( 0.000 -12.547 5.385) 13.654 10.502 ( -0.000 -10.075 -11.728) 15.461 11.136 ( 0.000 0.249 0.668) 0.713 14.302 ( 0.000 -5.717 7.413) 9.361 14.930 ( -0.000 2.845 -4.941) 5.702 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 3.963 10.850 1.514) 11.650 2.825 ( 15.047 9.064 1.621) 17.641 3.713 ( 0.882 5.106 -3.455) 6.228 3.983 ( 7.931 0.668 -13.681) 15.828 5.211 ( 3.058 -15.984 6.772) 17.627 5.349 ( 1.578 13.205 8.502) 15.784 6.079 ( -4.990 -0.443 -0.090) 5.010 6.245 ( -2.880 9.640 3.319) 10.595 6.511 ( -1.190 0.199 -2.664) 2.924 7.654 ( -2.460 5.487 1.252) 6.142 8.041 ( -5.362 5.744 3.374) 8.552 8.606 ( -12.983 -11.065 -6.828) 18.374 9.185 ( 14.669 -6.957 -1.520) 16.306 10.217 ( -7.616 -14.514 3.376) 16.735 10.380 ( -2.382 -5.422 -7.065) 9.219 11.315 ( 17.183 2.543 0.232) 17.372 14.240 ( -2.021 -7.857 3.146) 8.701 14.881 ( -8.478 2.814 -0.811) 8.970 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 6.861 7.628 1.575) 10.380 3.246 ( 24.153 7.235 -0.407) 25.216 3.722 ( -1.716 3.392 -5.869) 6.992 4.167 ( 16.930 0.913 -8.090) 18.786 5.157 ( 6.598 -15.227 6.049) 17.663 5.517 ( 0.997 10.461 6.324) 12.265 6.024 ( -3.636 2.874 3.171) 5.616 6.263 ( -5.236 5.726 4.865) 9.158 6.449 ( -7.319 1.794 -0.049) 7.536 7.662 ( -1.657 3.112 0.735) 3.602 7.962 ( -10.530 4.011 -2.338) 11.508 8.252 ( -11.802 -11.558 -8.482) 18.569 9.333 ( 5.148 1.364 0.546) 5.353 10.058 ( 5.288 -15.333 -0.022) 16.220 10.277 ( -2.270 -2.116 -1.857) 3.616 11.691 ( 21.213 7.600 -0.210) 22.535 14.102 ( -4.225 -11.232 1.151) 12.055 14.692 ( -16.686 1.373 0.950) 16.769 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 8.897 4.612 1.485) 10.131 3.562 ( 3.550 -1.705 -5.196) 6.520 3.872 ( 20.809 10.536 -1.376) 23.365 4.472 ( 19.692 1.989 -4.817) 20.370 5.178 ( 8.552 -10.445 3.558) 13.960 5.612 ( -0.511 4.225 4.959) 6.534 5.994 ( -7.505 4.505 2.584) 9.127 6.226 ( -6.229 2.785 6.762) 9.607 6.302 ( -11.557 0.444 2.337) 11.799 7.643 ( -4.342 -3.886 -2.721) 6.431 7.740 ( -11.624 4.239 -7.879) 14.669 8.029 ( -2.545 -6.546 -2.781) 7.553 9.413 ( -0.788 7.519 6.265) 9.819 9.976 ( 0.762 -11.689 -9.330) 14.976 10.330 ( 9.230 -1.390 4.051) 10.176 12.146 ( 21.625 12.608 -0.408) 25.035 13.906 ( -4.042 -14.749 0.375) 15.298 14.369 ( -22.738 -0.304 1.156) 22.770 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( 9.930 2.065 1.012) 10.193 3.507 ( -3.913 -1.003 -3.054) 5.064 4.371 ( 25.023 7.893 -1.359) 26.273 4.798 ( 17.578 2.453 -2.741) 17.959 5.252 ( 7.638 -4.696 1.234) 9.051 5.614 ( -2.606 -0.953 3.138) 4.189 5.830 ( -16.318 1.725 1.475) 16.475 6.108 ( -14.080 -0.020 4.289) 14.719 6.138 ( -7.275 -0.248 0.861) 7.330 7.476 ( -3.017 -0.522 -2.329) 3.847 7.708 ( 1.229 -0.373 -2.913) 3.183 7.964 ( 0.121 -2.353 -2.016) 3.102 9.464 ( -6.628 5.888 7.356) 11.520 9.877 ( 3.655 -4.499 -7.480) 9.463 10.481 ( 6.770 -0.592 1.587) 6.978 12.627 ( 19.512 14.041 -0.277) 24.041 13.716 ( -0.594 -15.083 -0.026) 15.094 13.965 ( -23.831 -1.223 0.705) 23.872 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( -5.984 0.000 0.000) 5.984 3.504 ( 9.743 -0.000 -0.000) 9.743 4.758 ( 13.145 -0.000 -0.000) 13.145 5.046 ( 9.734 -0.000 -0.000) 9.734 5.304 ( -1.753 0.000 0.000) 1.753 5.553 ( -2.961 0.000 0.000) 2.961 5.596 ( -6.819 0.000 0.000) 6.819 5.846 ( -16.658 0.000 0.000) 16.658 6.026 ( -5.500 0.000 0.000) 5.500 7.548 ( 9.350 -0.000 -0.000) 9.350 7.725 ( 2.730 -0.000 -0.000) 2.730 7.964 ( 1.422 -0.000 -0.000) 1.422 9.332 ( -11.298 0.000 0.000) 11.298 9.979 ( 9.434 -0.000 -0.000) 9.434 10.521 ( -1.765 0.000 0.000) 1.765 12.922 ( -0.275 0.000 0.000) 0.275 13.651 ( 4.370 -0.000 -0.000) 4.370 13.675 ( -4.566 0.000 0.000) 4.566 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 0.000 5.689 2.113) 6.069 2.825 ( 0.000 9.503 0.170) 9.504 3.735 ( -0.000 3.915 -1.617) 4.236 3.864 ( -0.000 -2.302 -12.918) 13.122 5.040 ( 0.000 -16.342 6.717) 17.668 5.504 ( 0.000 13.635 5.757) 14.800 6.112 ( -0.000 -0.932 -1.269) 1.574 6.298 ( -0.000 0.006 -0.053) 0.053 6.565 ( -0.000 8.744 -1.056) 8.807 7.748 ( 0.000 6.077 2.490) 6.567 8.166 ( 0.000 4.995 4.943) 7.028 8.691 ( -0.000 -7.759 -3.132) 8.367 8.861 ( -0.000 -9.793 -3.867) 10.529 10.201 ( -0.000 -10.729 -1.233) 10.800 10.338 ( -0.000 -4.312 -2.439) 4.954 11.147 ( 0.000 0.385 0.499) 0.630 14.204 ( 0.000 -5.628 0.280) 5.635 14.988 ( 0.000 3.081 1.366) 3.370 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 4.705 5.024 3.764) 7.846 2.959 ( 14.034 5.309 -2.606) 15.229 3.747 ( -1.084 1.072 -4.430) 4.685 3.901 ( 11.227 -0.771 -5.879) 12.696 4.956 ( 3.794 -11.599 4.707) 13.080 5.628 ( -0.254 8.820 4.018) 9.696 6.089 ( -1.371 0.774 1.032) 1.883 6.304 ( 1.382 -1.400 -0.790) 2.120 6.603 ( -5.243 7.008 -0.030) 8.752 7.781 ( -3.575 5.575 3.312) 7.405 8.147 ( -7.767 2.552 3.816) 9.022 8.360 ( -16.462 -8.665 -7.634) 20.109 9.079 ( 21.755 -3.031 -1.443) 22.012 9.994 ( -9.709 -8.902 0.291) 13.175 10.282 ( -1.681 -2.366 -1.754) 3.391 11.359 ( 21.305 1.722 0.212) 21.376 14.113 ( -5.026 -5.166 -0.454) 7.222 14.938 ( -9.525 1.956 1.632) 9.860 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 5.975 2.847 0.990) 6.692 3.314 ( 21.487 1.376 -1.309) 21.571 3.741 ( 2.582 1.484 -2.362) 3.801 4.142 ( 18.552 0.166 -2.296) 18.694 4.975 ( 7.051 -5.889 2.247) 9.457 5.686 ( -1.357 3.720 2.245) 4.552 6.093 ( -1.187 1.749 2.093) 2.975 6.305 ( 0.031 -0.824 0.483) 0.955 6.515 ( -11.024 2.896 0.166) 11.399 7.759 ( -7.407 4.444 4.641) 9.806 7.983 ( -16.813 -2.056 -10.516) 19.938 8.030 ( -6.342 -4.043 2.540) 7.939 9.400 ( 14.880 3.928 0.455) 15.396 9.805 ( -1.922 -8.805 -0.938) 9.061 10.248 ( 0.941 -0.620 0.019) 1.127 11.802 ( 27.265 3.294 0.020) 27.463 13.939 ( -9.390 -4.788 -0.299) 10.544 14.724 ( -18.065 0.702 0.946) 18.104 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 8.469 -0.000 -0.000) 8.469 3.521 ( 2.414 -0.000 -0.000) 2.414 3.972 ( 23.911 -0.000 -0.000) 23.911 4.474 ( 20.852 -0.000 -0.000) 20.852 5.085 ( 8.869 -0.000 -0.000) 8.869 5.671 ( -2.826 0.000 0.000) 2.826 6.049 ( -7.036 0.000 0.000) 7.036 6.275 ( -4.794 0.000 0.000) 4.794 6.315 ( -13.207 0.000 0.000) 13.207 7.591 ( -12.728 0.000 0.000) 12.728 7.760 ( -6.827 0.000 0.000) 6.827 7.953 ( -1.314 0.000 0.000) 1.314 9.591 ( 1.304 -0.000 -0.000) 1.304 9.745 ( 2.957 -0.000 -0.000) 2.957 10.334 ( 9.033 -0.000 -0.000) 9.033 12.283 ( 27.152 -0.000 -0.000) 27.152 13.745 ( -9.228 0.000 0.000) 9.228 14.373 ( -23.984 0.000 0.000) 23.984 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 0.000 1.815 0.683) 1.940 2.955 ( 0.000 3.683 0.092) 3.684 3.751 ( -0.000 -1.971 -5.000) 5.375 3.777 ( -0.000 1.297 -0.562) 1.414 4.850 ( 0.000 -6.120 2.494) 6.608 5.706 ( 0.000 4.610 1.948) 5.004 6.098 ( -0.000 -0.154 -0.345) 0.378 6.274 ( -0.000 -0.798 -0.597) 0.997 6.707 ( 0.000 4.293 0.186) 4.297 7.857 ( 0.000 2.864 1.810) 3.388 8.252 ( 0.000 1.561 2.048) 2.575 8.555 ( -0.000 -3.642 -1.997) 4.154 8.712 ( -0.000 -3.430 -1.721) 3.838 10.052 ( -0.000 -3.682 -0.871) 3.784 10.275 ( -0.000 -1.513 -0.273) 1.538 11.155 ( 0.000 0.186 0.171) 0.253 14.125 ( -0.000 -2.068 -0.488) 2.125 15.039 ( 0.000 1.075 1.051) 1.504 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 15.506 -0.000 -0.000) 15.506 2.994 ( 2.646 -0.000 -0.000) 2.646 3.730 ( -0.206 0.000 0.000) 0.206 3.881 ( 11.430 -0.000 -0.000) 11.430 4.857 ( 3.897 -0.000 -0.000) 3.897 5.726 ( -0.685 0.000 0.000) 0.685 6.104 ( 0.619 -0.000 -0.000) 0.619 6.280 ( 1.239 -0.000 -0.000) 1.239 6.678 ( -6.096 0.000 0.000) 6.096 7.865 ( -1.371 0.000 0.000) 1.371 8.192 ( -8.423 0.000 0.000) 8.423 8.224 ( -20.184 0.000 0.000) 20.184 9.046 ( 25.064 -0.000 -0.000) 25.064 9.906 ( -11.431 0.000 0.000) 11.431 10.254 ( -1.261 0.000 0.000) 1.261 11.378 ( 22.988 -0.000 -0.000) 22.988 14.059 ( -6.430 0.000 0.000) 6.430 14.964 ( -9.747 0.000 0.000) 9.747 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( 0.000 -0.000 29.954) 29.954 0.301 ( 0.000 -0.000 29.954) 29.954 0.536 ( 0.000 -0.000 53.556) 53.556 3.046 ( -0.000 0.000 -2.181) 2.181 3.046 ( -0.000 0.000 -2.181) 2.181 5.543 ( -0.000 0.000 -3.962) 3.962 6.348 ( 0.000 -0.000 0.076) 0.076 6.348 ( 0.000 -0.000 0.076) 0.076 7.620 ( -0.000 0.000 -1.033) 1.033 7.620 ( -0.000 0.000 -1.033) 1.033 8.751 ( -0.000 0.000 -2.916) 2.916 9.989 ( 0.000 -0.000 1.232) 1.232 9.989 ( 0.000 -0.000 1.232) 1.232 10.694 ( 0.000 -0.000 1.778) 1.778 11.253 ( -0.000 0.000 -0.562) 0.562 11.253 ( -0.000 0.000 -0.562) 0.562 11.823 ( 0.000 -0.000 0.361) 0.361 15.890 ( -0.000 0.000 -0.357) 0.357 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 18.205 10.511 21.573) 30.122 0.718 ( 24.397 14.085 12.375) 30.769 1.334 ( 42.664 24.632 26.908) 56.134 3.092 ( 4.426 2.555 -2.447) 5.666 3.229 ( 16.651 9.614 -3.242) 19.499 5.513 ( -1.023 -0.591 -5.577) 5.701 6.304 ( -2.009 -1.160 -3.424) 4.136 6.337 ( -0.591 -0.341 -0.515) 0.855 7.288 ( -22.828 -13.180 -4.240) 26.699 7.651 ( 1.920 1.109 0.639) 2.308 8.406 ( -21.094 -12.179 35.317) 42.901 8.874 ( 7.076 4.086 -0.574) 8.191 9.926 ( -4.860 -2.806 -0.226) 5.617 11.181 ( -5.326 -3.075 -2.273) 6.557 11.253 ( -0.509 -0.294 0.268) 0.646 11.628 ( -3.612 -2.086 -17.217) 17.715 13.171 ( 42.109 24.312 -43.062) 64.951 15.710 ( -5.947 -3.433 6.167) 9.229 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 23.536 13.588 11.719) 29.596 1.304 ( 24.664 14.240 6.970) 29.320 2.364 ( 42.178 24.351 18.856) 52.225 3.212 ( 6.832 3.945 -2.843) 8.386 3.702 ( 25.628 14.796 -4.055) 29.869 5.463 ( -1.674 -0.966 -5.868) 6.178 6.254 ( -1.089 -0.629 -5.339) 5.485 6.321 ( -0.539 -0.311 -1.113) 1.276 6.740 ( -23.097 -13.335 -10.618) 28.706 7.705 ( 2.355 1.360 2.476) 3.678 8.195 ( -10.070 -5.814 18.523) 21.870 8.983 ( 2.162 1.248 -4.227) 4.909 9.780 ( -7.806 -4.507 -1.722) 9.176 11.008 ( -9.168 -5.293 -3.518) 11.156 11.234 ( -1.340 -0.774 0.957) 1.820 11.450 ( -7.354 -4.246 -11.689) 14.448 13.596 ( 11.397 6.580 -5.407) 14.228 15.646 ( -2.211 -1.277 1.208) 2.825 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 25.031 14.452 6.877) 29.710 1.839 ( 21.527 12.428 5.525) 25.464 3.295 ( 36.269 20.940 14.040) 44.170 3.358 ( 6.883 3.974 -3.463) 8.669 4.276 ( 26.203 15.128 -5.014) 30.669 5.411 ( -1.277 -0.737 -2.684) 3.062 6.181 ( -11.687 -6.747 1.052) 13.535 6.285 ( -5.952 -3.436 -16.305) 17.694 6.308 ( -0.294 -0.170 -1.472) 1.511 7.766 ( 2.135 1.233 4.006) 4.704 8.025 ( -10.256 -5.921 12.171) 16.982 8.915 ( -6.467 -3.734 -8.609) 11.396 9.581 ( -9.130 -5.271 -2.897) 10.933 10.766 ( -11.228 -6.483 -4.171) 13.619 11.203 ( -1.691 -0.977 1.298) 2.345 11.247 ( -7.914 -4.569 -6.441) 11.180 13.768 ( 5.510 3.181 2.887) 6.987 15.591 ( -3.347 -1.932 1.140) 4.030 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 17.310 9.994 5.194) 20.652 2.363 ( 24.725 14.275 4.269) 28.867 3.481 ( 5.172 2.986 -4.096) 7.241 4.029 ( 25.807 14.899 7.002) 30.611 4.779 ( 19.706 11.377 -3.906) 23.087 5.403 ( 0.142 0.082 2.402) 2.408 5.891 ( -7.701 -4.446 1.127) 8.963 6.273 ( 3.347 1.932 -9.369) 10.135 6.297 ( -0.331 -0.191 -1.374) 1.426 7.816 ( -11.390 -6.576 7.417) 15.099 7.824 ( 1.785 1.030 4.503) 4.952 8.650 ( -13.693 -7.906 -12.620) 20.230 9.367 ( -9.005 -5.199 -3.274) 10.901 10.498 ( -11.395 -6.579 -3.946) 13.737 11.065 ( -7.079 -4.087 -2.433) 8.528 11.172 ( -1.373 -0.793 1.226) 2.004 13.881 ( 4.006 2.313 3.011) 5.519 15.501 ( -5.194 -2.999 2.183) 6.383 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 12.741 7.356 4.819) 15.481 2.911 ( 23.588 13.619 2.586) 27.360 3.556 ( 2.871 1.657 -4.219) 5.365 4.441 ( 10.243 5.914 -4.429) 12.629 5.109 ( 9.126 5.269 4.825) 11.590 5.407 ( 2.148 1.240 2.493) 3.517 5.925 ( 6.853 3.957 9.137) 12.087 6.282 ( -0.651 -0.376 -0.980) 1.235 6.339 ( 4.901 2.829 -6.994) 8.996 7.581 ( -10.907 -6.297 2.328) 12.807 7.876 ( 1.683 0.972 3.804) 4.272 8.262 ( -16.398 -9.467 -13.048) 22.995 9.168 ( -7.869 -4.543 -2.751) 9.494 10.248 ( -9.721 -5.613 -3.227) 11.680 10.917 ( -5.816 -3.358 -0.523) 6.736 11.153 ( -0.638 -0.368 0.884) 1.151 13.970 ( 3.391 1.958 1.296) 4.124 15.383 ( -5.991 -3.459 2.685) 7.421 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 7.706 4.449 3.347) 9.507 3.423 ( 21.970 12.684 1.121) 25.393 3.587 ( 1.272 0.734 -3.007) 3.346 4.454 ( -5.570 -3.216 -12.247) 13.833 5.232 ( 3.284 1.896 6.893) 7.867 5.588 ( 8.943 5.163 8.935) 13.655 6.090 ( 3.228 1.864 5.632) 6.754 6.263 ( -0.731 -0.422 -0.805) 1.166 6.435 ( 5.171 2.985 -4.204) 7.302 7.381 ( -6.230 -3.597 -1.093) 7.277 7.892 ( -12.787 -7.383 -6.507) 16.136 7.922 ( 1.398 0.807 2.777) 3.212 9.009 ( -5.613 -3.241 -1.921) 6.760 10.058 ( -6.404 -3.697 -2.399) 7.774 10.805 ( -4.090 -2.361 -0.467) 4.745 11.148 ( -0.075 -0.043 0.503) 0.510 14.039 ( 2.635 1.521 -0.046) 3.043 15.264 ( -5.152 -2.974 2.114) 6.313 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 1.747 1.008 0.179) 2.025 3.606 ( 1.139 0.658 0.040) 1.316 3.883 ( 18.762 10.832 -1.293) 21.703 4.186 ( -13.018 -7.516 -12.439) 19.511 5.307 ( 0.476 0.275 3.328) 3.373 5.744 ( 1.202 0.694 4.866) 5.060 6.092 ( -1.505 -0.869 -1.396) 2.229 6.247 ( -0.366 -0.211 -1.105) 1.183 6.518 ( 2.816 1.626 -1.958) 3.796 7.322 ( -0.083 -0.048 2.379) 2.381 7.708 ( -2.437 -1.407 5.776) 6.425 7.952 ( 0.415 0.240 2.301) 2.351 8.917 ( -1.954 -1.128 -1.436) 2.674 9.958 ( -1.883 -1.087 -1.527) 2.657 10.736 ( -1.734 -1.001 -1.595) 2.560 11.149 ( -0.021 -0.012 0.196) 0.197 14.084 ( 1.336 0.772 -0.239) 1.562 15.179 ( -2.777 -1.603 0.340) 3.225 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( -4.034 -2.329 -2.732) 5.400 3.638 ( 1.068 0.617 2.937) 3.185 3.774 ( -17.355 -10.020 -12.096) 23.407 4.286 ( 14.891 8.597 -2.465) 17.371 5.242 ( -5.670 -3.273 -3.633) 7.487 5.655 ( -7.242 -4.181 -4.805) 9.644 6.088 ( -0.081 -0.047 1.505) 1.507 6.241 ( 0.283 0.164 -1.658) 1.690 6.538 ( -0.714 -0.412 -0.031) 0.825 7.347 ( 1.271 0.734 5.034) 5.243 7.838 ( 9.691 5.595 16.528) 19.960 7.952 ( -1.188 -0.686 2.271) 2.653 8.919 ( 2.592 1.496 -1.237) 3.238 9.968 ( 3.120 1.801 -0.482) 3.634 10.721 ( 1.108 0.640 -3.183) 3.430 11.146 ( -0.248 -0.143 -0.057) 0.292 14.094 ( -0.566 -0.327 0.727) 0.977 15.150 ( 0.559 0.323 -2.394) 2.480 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( -8.583 -4.955 -3.440) 10.491 3.320 ( -20.087 -11.597 -9.499) 25.064 3.659 ( -0.498 -0.287 3.745) 3.788 4.508 ( 4.557 2.631 -5.632) 7.708 5.110 ( -3.116 -1.799 -5.047) 6.198 5.458 ( -7.877 -4.548 -6.418) 11.132 6.031 ( -6.259 -3.614 3.531) 8.044 6.250 ( 1.054 0.609 -2.045) 2.380 6.505 ( -1.947 -1.124 2.322) 3.231 7.423 ( 4.058 2.343 4.377) 6.412 7.913 ( -2.856 -1.649 1.896) 3.804 8.181 ( 14.631 8.447 18.677) 25.184 9.021 ( 6.736 3.889 -0.725) 7.812 10.090 ( 7.694 4.442 0.895) 8.929 10.766 ( 4.169 2.407 -4.489) 6.583 11.139 ( -0.263 -0.152 -0.324) 0.444 14.063 ( -2.662 -1.537 2.286) 3.831 15.186 ( 3.793 2.190 -5.371) 6.930 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -12.684 -7.323 -2.476) 14.854 2.825 ( -22.195 -12.814 -6.521) 26.445 3.632 ( -3.090 -1.784 3.053) 4.696 4.382 ( -14.347 -8.283 -6.744) 17.887 5.070 ( -2.344 -1.353 -0.604) 2.773 5.316 ( -1.800 -1.039 -7.671) 7.948 5.882 ( -5.879 -3.394 5.701) 8.865 6.273 ( 1.531 0.884 -1.859) 2.566 6.484 ( -1.138 -0.657 6.534) 6.665 7.545 ( 5.972 3.448 -0.139) 6.898 7.843 ( -3.672 -2.120 0.626) 4.286 8.566 ( 14.203 8.200 15.096) 22.290 9.201 ( 9.271 5.352 0.427) 10.713 10.305 ( 10.880 6.282 2.438) 12.797 10.877 ( 7.287 4.207 -4.777) 9.676 11.136 ( 0.218 0.126 -0.681) 0.726 13.994 ( -4.335 -2.503 3.911) 6.353 15.274 ( 5.807 3.353 -7.873) 10.342 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -17.036 -9.835 -0.559) 19.679 2.294 ( -24.152 -13.944 -3.196) 28.071 3.541 ( -5.739 -3.314 1.704) 6.843 3.864 ( -29.270 -16.899 -6.399) 34.398 4.840 ( -18.380 -10.612 -1.836) 21.303 5.353 ( 4.676 2.700 1.372) 5.571 5.921 ( 8.284 4.783 2.645) 9.924 6.301 ( 1.349 0.779 -1.012) 1.857 6.511 ( 1.295 0.748 12.701) 12.789 7.672 ( 6.241 3.603 -6.603) 9.774 7.763 ( -3.272 -1.889 -1.247) 3.978 8.878 ( 9.758 5.634 9.267) 14.589 9.421 ( 9.934 5.736 1.868) 11.622 10.571 ( 11.892 6.866 3.235) 14.108 11.059 ( 10.315 5.955 -3.618) 12.448 11.147 ( 1.019 0.588 -1.140) 1.639 13.903 ( -5.185 -2.994 5.659) 8.239 15.379 ( 6.088 3.515 -9.687) 11.969 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -25.673 -14.822 0.744) 29.654 1.802 ( -21.628 -12.487 1.995) 25.053 3.082 ( -38.863 -22.437 -5.198) 45.175 3.396 ( -7.362 -4.251 0.243) 8.505 4.325 ( -25.934 -14.973 -1.097) 29.966 5.457 ( 3.444 1.988 2.887) 4.914 6.164 ( 9.892 5.711 -1.061) 11.471 6.323 ( 0.838 0.484 -0.010) 0.968 6.690 ( 11.615 6.706 21.999) 25.765 7.695 ( -2.263 -1.306 -2.735) 3.782 7.767 ( 5.092 2.940 -13.238) 14.485 9.041 ( 2.747 1.586 3.648) 4.834 9.642 ( 9.043 5.221 2.904) 10.838 10.836 ( 10.839 6.258 2.532) 12.769 11.173 ( 1.660 0.958 -1.542) 2.460 11.302 ( 12.074 6.971 -2.184) 14.112 13.809 ( -5.064 -2.923 7.545) 9.546 15.469 ( 4.923 2.842 -10.734) 12.147 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -26.045 -15.037 6.366) 30.740 1.287 ( -25.752 -14.868 5.428) 30.227 2.133 ( -45.083 -26.029 -2.051) 52.098 3.231 ( -6.972 -4.025 -0.973) 8.109 3.740 ( -25.446 -14.691 -0.568) 29.388 5.520 ( 1.825 1.054 -0.007) 2.107 6.296 ( 3.368 1.945 -1.822) 4.295 6.339 ( 0.473 0.273 0.533) 0.763 7.160 ( 20.652 11.923 29.518) 37.947 7.646 ( -1.276 -0.737 -3.077) 3.412 7.808 ( 3.730 2.154 -18.716) 19.206 9.025 ( -4.367 -2.521 -0.251) 5.048 9.830 ( 6.794 3.923 3.076) 8.426 11.058 ( 8.386 4.842 1.195) 9.757 11.206 ( 1.767 1.020 -1.628) 2.611 11.552 ( 10.620 6.132 -3.659) 12.798 13.727 ( -4.754 -2.745 5.473) 7.752 15.526 ( 3.489 2.014 -9.565) 10.379 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.000 25.450 19.256) 31.914 0.875 ( 0.000 27.042 19.034) 33.069 1.317 ( 0.000 39.907 30.178) 50.033 3.071 ( -0.000 4.809 -3.864) 6.169 3.231 ( -0.000 19.681 -3.060) 19.917 5.497 ( -0.000 -0.552 -6.640) 6.663 6.293 ( -0.000 -2.378 -3.395) 4.145 6.352 ( 0.000 -0.148 0.352) 0.382 7.587 ( -0.000 0.064 -5.867) 5.868 7.594 ( -0.000 -0.122 -2.650) 2.653 8.319 ( 0.000 -50.623 40.021) 64.532 8.852 ( -0.000 7.656 -2.201) 7.966 9.981 ( 0.000 -3.390 2.993) 4.522 11.198 ( -0.000 -4.976 -1.774) 5.283 11.222 ( -0.000 -1.780 -1.529) 2.346 11.570 ( -0.000 -2.368 -18.895) 19.042 13.080 ( -0.000 62.982 -38.127) 73.623 15.653 ( 0.000 -15.820 5.024) 16.599 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 7.614 21.670 18.783) 29.671 1.280 ( 9.767 28.807 10.594) 32.210 2.090 ( 29.615 35.082 20.373) 50.228 3.167 ( 5.144 7.250 -4.102) 9.790 3.539 ( 12.611 23.649 -3.583) 27.040 5.461 ( -1.154 0.156 -7.019) 7.115 6.250 ( -1.131 -1.388 -4.416) 4.765 6.326 ( -2.017 -1.108 -0.462) 2.347 7.110 ( -33.414 -5.523 -4.137) 34.119 7.654 ( 3.252 -1.787 1.533) 4.015 8.166 ( 6.952 -23.743 17.751) 30.449 8.956 ( 2.983 5.375 -3.830) 7.243 9.875 ( -7.535 -4.170 1.469) 8.736 11.062 ( -6.595 -7.615 -2.835) 10.465 11.225 ( 1.479 -1.818 -0.744) 2.459 11.443 ( -3.355 -6.183 -13.921) 15.597 13.551 ( 7.876 26.268 -9.499) 29.022 15.558 ( 3.942 -12.066 -0.932) 12.727 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 16.939 20.167 11.488) 28.733 1.762 ( 12.808 24.693 7.732) 28.872 2.963 ( 31.381 23.951 13.053) 41.579 3.338 ( 6.738 11.997 -3.017) 14.087 4.032 ( 20.474 21.502 -4.178) 29.983 5.423 ( -1.461 1.424 -4.967) 5.370 6.207 ( -0.792 -0.976 -5.025) 5.179 6.256 ( -3.517 -5.721 -1.725) 6.933 6.544 ( -24.565 -3.298 -2.994) 24.966 7.697 ( 4.041 -4.318 3.621) 6.934 8.101 ( -0.309 -10.809 8.251) 13.601 8.961 ( -4.165 0.045 -7.039) 8.178 9.688 ( -9.773 -4.679 -0.288) 10.839 10.833 ( -9.061 -9.920 -3.224) 13.816 11.223 ( -0.067 -2.581 -2.159) 3.366 11.273 ( -4.531 -4.665 -7.154) 9.669 13.792 ( 1.470 12.413 4.186) 13.182 15.517 ( 4.233 -10.689 -2.827) 11.839 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 20.010 17.767 6.182) 27.464 2.217 ( 12.514 21.575 6.716) 25.830 3.414 ( 7.475 5.952 -3.177) 10.070 3.804 ( 23.988 21.415 5.279) 32.587 4.555 ( 20.695 16.673 -3.008) 26.745 5.423 ( -0.217 3.350 -0.170) 3.361 6.004 ( -11.711 -7.616 -1.728) 14.076 6.191 ( 0.589 -0.820 -2.597) 2.786 6.321 ( -3.503 -0.878 -0.824) 3.704 7.707 ( 2.058 -8.607 3.811) 9.635 8.017 ( -4.456 -1.156 4.372) 6.349 8.768 ( -12.162 -4.807 -11.165) 17.195 9.470 ( -10.227 -4.650 -1.583) 11.345 10.562 ( -9.947 -11.039 -2.823) 15.125 11.082 ( -3.754 -8.480 -5.415) 10.739 11.250 ( -2.007 5.276 0.456) 5.663 13.904 ( -0.515 6.887 6.105) 9.218 15.458 ( 2.065 -11.496 -1.321) 11.755 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 10.760 14.996 5.787) 19.343 2.707 ( 19.490 19.379 2.841) 27.631 3.534 ( 2.849 5.437 -4.385) 7.544 4.301 ( 14.756 11.614 -5.156) 19.473 4.998 ( 15.383 11.706 4.215) 19.785 5.436 ( -2.599 2.340 0.527) 3.536 5.894 ( 2.626 1.051 8.728) 9.175 6.195 ( 2.705 -3.149 -2.328) 4.759 6.287 ( 1.773 -3.310 -0.405) 3.777 7.602 ( -4.057 -10.599 -0.268) 11.352 7.985 ( -3.447 5.298 3.907) 7.431 8.423 ( -16.611 -6.755 -12.387) 21.794 9.262 ( -8.895 -3.560 -2.526) 9.908 10.282 ( -9.090 -12.090 -1.987) 15.256 10.935 ( -3.174 -7.156 -3.016) 8.389 11.278 ( -3.982 10.331 0.606) 11.088 13.962 ( 0.089 2.951 4.032) 4.997 15.358 ( 0.249 -12.514 0.420) 12.523 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 5.803 12.709 4.683) 14.735 3.205 ( 19.035 15.277 -0.640) 24.415 3.602 ( 1.127 6.303 -3.221) 7.168 4.468 ( 0.046 4.411 -14.026) 14.704 5.242 ( 2.042 4.450 6.812) 8.389 5.518 ( 8.317 5.384 8.795) 13.248 6.051 ( 6.027 2.038 8.283) 10.445 6.189 ( 2.842 -6.648 -1.004) 7.299 6.322 ( 6.519 -3.562 0.081) 7.429 7.406 ( -6.039 -7.824 -4.441) 10.836 8.004 ( -4.266 4.699 -3.743) 7.369 8.065 ( -13.505 -2.185 -0.364) 13.685 9.099 ( -7.256 -0.198 -2.720) 7.751 10.027 ( -5.526 -13.763 -1.198) 14.880 10.819 ( -2.545 -5.239 -2.290) 6.258 11.316 ( -6.572 15.148 0.569) 16.522 13.997 ( 1.806 -0.760 1.552) 2.500 15.239 ( -0.103 -12.658 1.150) 12.711 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( -0.198 9.716 1.515) 9.835 3.530 ( 8.234 0.960 -2.826) 8.759 3.778 ( 10.279 17.958 -0.953) 20.713 4.326 ( -12.581 1.175 -15.929) 20.332 5.319 ( 1.033 2.067 5.851) 6.290 5.717 ( 4.954 0.707 9.453) 10.696 6.090 ( -1.510 -3.609 -0.820) 3.997 6.173 ( 3.976 -6.717 -1.472) 7.943 6.412 ( 7.251 -4.219 1.012) 8.450 7.294 ( 0.809 -2.910 1.416) 3.336 7.798 ( -8.529 -0.286 -3.504) 9.225 8.071 ( -3.137 8.396 6.902) 11.313 9.003 ( -6.166 5.183 -1.992) 8.298 9.842 ( 0.942 -15.306 -0.797) 15.355 10.736 ( -1.474 -3.185 -2.855) 4.524 11.349 ( -9.207 18.290 0.484) 20.482 14.021 ( 3.438 -3.777 0.116) 5.109 15.130 ( 1.102 -11.722 0.565) 11.788 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( -6.081 5.728 -2.239) 8.649 3.602 ( 2.721 -1.008 0.083) 2.903 4.012 ( -18.824 3.036 -13.037) 23.098 4.155 ( 12.606 14.955 -3.932) 19.950 5.304 ( -5.159 -1.592 -0.514) 5.423 5.694 ( -4.755 -5.764 -2.603) 7.913 6.051 ( 2.417 -3.677 1.249) 4.574 6.170 ( 3.293 -6.048 -1.133) 6.979 6.466 ( 4.657 -6.673 1.900) 8.356 7.356 ( 3.044 1.630 8.824) 9.475 7.752 ( 2.561 1.746 2.130) 3.761 8.124 ( -3.597 9.372 8.863) 13.391 8.984 ( -4.641 10.453 -0.631) 11.455 9.774 ( 8.693 -14.624 -0.615) 17.024 10.693 ( 0.404 -1.398 -4.145) 4.393 11.360 ( -11.172 18.986 0.372) 22.032 14.039 ( 3.816 -5.233 0.200) 6.479 15.062 ( 3.590 -10.025 -1.291) 10.727 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -10.211 2.439 -3.441) 11.048 3.512 ( -14.166 -4.565 -8.648) 17.213 3.750 ( -8.587 4.891 0.328) 9.888 4.445 ( 7.365 11.063 -7.284) 15.156 5.159 ( -6.432 -1.211 -5.399) 8.485 5.522 ( -7.164 -5.199 -5.420) 10.379 6.054 ( 0.487 -5.663 3.933) 6.912 6.152 ( 3.453 -8.021 -1.157) 8.809 6.454 ( 2.334 -8.722 3.298) 9.612 7.449 ( 0.901 5.642 7.361) 9.318 7.871 ( 6.026 0.195 2.384) 6.484 8.225 ( 1.914 10.030 13.756) 17.131 9.042 ( -1.553 12.217 0.753) 12.338 9.851 ( 14.800 -10.068 0.072) 17.900 10.699 ( 3.188 -0.095 -5.542) 6.394 11.344 ( -11.749 17.304 0.231) 20.917 14.045 ( 2.236 -4.827 1.660) 5.573 15.053 ( 6.822 -7.972 -4.029) 11.240 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( -13.742 0.248 -2.534) 13.976 3.099 ( -24.055 -4.135 -8.289) 25.777 3.708 ( -4.495 2.131 2.906) 5.761 4.501 ( -6.698 1.748 -8.128) 10.676 5.099 ( -0.944 3.176 -1.623) 3.689 5.342 ( -6.134 -2.096 -7.954) 10.261 5.951 ( -5.620 -8.220 7.218) 12.298 6.155 ( 6.902 -7.912 -2.852) 10.880 6.421 ( 3.061 -9.494 5.284) 11.288 7.548 ( 1.157 7.200 3.658) 8.158 7.907 ( -2.251 1.017 0.475) 2.516 8.486 ( 11.537 8.250 13.619) 19.663 9.165 ( 2.987 9.780 1.546) 10.342 10.061 ( 17.521 -3.790 1.483) 17.988 10.764 ( 6.753 0.850 -6.371) 9.323 11.308 ( -10.585 13.959 0.080) 17.519 14.028 ( -0.808 -3.246 3.838) 5.091 15.107 ( 9.627 -5.723 -6.823) 13.114 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -17.652 -1.577 -0.707) 17.736 2.606 ( -27.107 -4.858 -4.521) 27.907 3.629 ( -6.880 -0.929 1.514) 7.106 4.192 ( -24.200 -5.806 -5.338) 25.453 5.021 ( -12.647 -3.085 -3.854) 13.576 5.311 ( 4.022 3.614 0.008) 5.407 5.867 ( 2.211 -1.517 5.016) 5.688 6.200 ( 7.417 -5.916 -2.872) 9.912 6.419 ( 5.828 -10.343 7.993) 14.312 7.633 ( 0.498 4.971 -0.080) 4.997 7.862 ( -4.548 3.947 -1.508) 6.208 8.794 ( 11.490 5.849 8.739) 15.575 9.335 ( 7.347 6.315 1.897) 9.872 10.346 ( 17.472 0.041 2.476) 17.647 10.901 ( 10.686 1.844 -6.063) 12.424 11.267 ( -7.895 9.968 -0.059) 12.716 13.982 ( -3.847 -1.707 6.054) 7.373 15.209 ( 10.582 -3.249 -8.812) 14.149 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -27.553 -7.895 -0.847) 28.674 2.139 ( -23.727 -0.793 2.113) 23.834 3.423 ( -18.466 -10.076 -0.829) 21.053 3.646 ( -27.863 -0.983 -1.682) 27.931 4.627 ( -24.280 -8.460 -3.611) 25.964 5.425 ( 3.813 1.520 4.587) 6.156 6.045 ( 11.359 7.094 0.243) 13.394 6.257 ( 5.389 -3.405 -1.692) 6.595 6.506 ( 14.322 -9.377 11.426) 20.581 7.636 ( -1.614 -0.920 -2.284) 2.944 7.852 ( -2.889 8.923 -4.707) 10.494 9.006 ( 6.156 2.618 3.440) 7.522 9.535 ( 9.669 3.721 2.119) 10.575 10.638 ( 15.943 0.559 1.830) 16.057 11.106 ( 12.587 2.540 -4.936) 13.757 11.246 ( -3.305 6.457 -0.264) 7.258 13.910 ( -5.650 -1.308 7.728) 9.662 15.328 ( 9.179 -0.413 -9.402) 13.146 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -29.133 -7.596 4.165) 30.394 1.710 ( -27.845 -1.994 4.225) 28.234 2.734 ( -44.406 -9.118 2.054) 45.379 3.371 ( -11.910 0.736 -1.309) 12.004 4.089 ( -28.823 -7.147 -2.054) 29.767 5.489 ( 2.387 -0.117 0.417) 2.425 6.238 ( 5.366 2.882 -1.866) 6.370 6.299 ( 3.293 -1.937 -0.390) 3.840 6.834 ( 27.016 -6.593 11.059) 29.927 7.588 ( -0.803 -0.987 -1.800) 2.204 7.886 ( -2.117 10.074 -4.243) 11.134 9.065 ( -0.864 -0.245 -0.587) 1.072 9.726 ( 9.328 1.055 1.942) 9.586 10.891 ( 13.680 -0.016 0.146) 13.681 11.211 ( -0.069 2.369 -1.170) 2.643 11.380 ( 12.458 3.127 -4.840) 13.726 13.817 ( -6.376 -2.850 6.354) 9.442 15.441 ( 6.358 3.200 -7.445) 10.300 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.000 22.825 16.863) 28.379 1.491 ( 0.000 25.010 13.698) 28.516 2.291 ( 0.000 43.753 15.623) 46.458 3.173 ( -0.000 8.590 -4.816) 9.847 3.690 ( -0.000 28.434 -3.554) 28.655 5.457 ( -0.000 1.885 -6.582) 6.846 6.225 ( -0.000 -2.376 -3.910) 4.575 6.339 ( -0.000 -1.358 -0.483) 1.442 7.487 ( -0.000 -7.462 -13.199) 15.162 7.596 ( -0.000 2.393 -1.568) 2.861 7.757 ( 0.000 -30.619 26.921) 40.771 8.978 ( -0.000 6.420 -3.990) 7.559 9.889 ( 0.000 -8.362 2.434) 8.709 11.043 ( -0.000 -8.999 -3.033) 9.496 11.176 ( -0.000 -1.811 -1.262) 2.208 11.355 ( -0.000 -8.593 -12.274) 14.983 13.752 ( -0.000 27.583 -2.383) 27.686 15.371 ( -0.000 -13.908 -4.306) 14.559 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 4.906 21.808 13.269) 25.994 1.863 ( 9.082 23.748 10.547) 27.526 2.878 ( 15.408 34.452 9.547) 38.929 3.312 ( 7.412 11.045 -4.541) 14.055 4.020 ( 8.209 27.055 -3.219) 28.455 5.458 ( -1.181 4.471 -4.382) 6.370 6.187 ( 0.153 -3.310 -2.655) 4.246 6.276 ( -4.684 -3.416 -1.733) 6.050 6.958 ( -29.268 -10.191 1.432) 31.024 7.601 ( 2.850 -4.662 2.080) 5.847 7.878 ( 13.664 -11.349 3.723) 18.148 9.003 ( -1.992 2.092 -5.257) 5.998 9.763 ( -4.964 -8.695 1.469) 10.119 10.868 ( -7.448 -10.147 -2.419) 12.817 11.152 ( -0.786 -7.498 -6.511) 9.961 11.245 ( 1.688 -3.732 -4.404) 6.015 13.971 ( -1.945 17.576 7.704) 19.289 15.279 ( 6.100 -13.322 -7.559) 16.487 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 12.788 19.829 7.833) 24.861 2.285 ( 10.551 23.078 8.646) 26.807 3.339 ( 8.986 12.283 -1.440) 15.287 3.671 ( 18.320 21.170 -1.570) 28.041 4.438 ( 14.019 21.929 -0.803) 26.039 5.485 ( -1.321 7.546 -0.437) 7.673 6.089 ( -8.397 -6.622 -3.224) 11.169 6.166 ( 0.746 -4.845 0.399) 4.918 6.495 ( -18.699 -4.014 6.385) 20.162 7.614 ( 2.659 -4.421 0.403) 5.175 7.955 ( 6.257 -6.047 -1.330) 8.802 8.876 ( -9.561 -3.646 -9.238) 13.786 9.585 ( -8.244 -6.504 1.390) 10.592 10.620 ( -9.442 -9.934 -1.328) 13.770 10.994 ( -1.048 -12.467 -7.461) 14.567 11.292 ( 2.702 4.050 -0.734) 4.924 14.073 ( -5.420 10.797 10.497) 16.004 15.232 ( 6.603 -14.996 -6.405) 17.593 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 14.773 15.498 4.764) 21.934 2.714 ( 10.777 24.467 5.930) 27.385 3.516 ( 4.463 6.692 -4.689) 9.310 4.140 ( 16.758 14.400 -8.361) 23.624 4.881 ( 15.669 16.412 5.059) 23.248 5.534 ( -3.579 7.700 0.019) 8.491 5.920 ( -2.835 -2.664 6.357) 7.453 6.149 ( 2.907 -6.552 2.375) 7.551 6.263 ( -8.813 -4.150 6.209) 11.551 7.580 ( -2.289 -3.161 -3.587) 5.301 7.990 ( 4.414 -3.006 -1.977) 5.694 8.580 ( -14.523 -6.672 -12.375) 20.213 9.378 ( -9.865 -4.745 1.013) 10.994 10.358 ( -11.420 -8.046 -0.591) 13.982 10.857 ( 0.721 -11.062 -4.830) 12.092 11.395 ( 2.129 9.471 -0.540) 9.723 14.081 ( -6.761 5.896 8.183) 12.143 15.155 ( 5.000 -17.731 -3.303) 18.716 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 11.262 12.099 5.263) 17.346 3.138 ( 10.200 23.288 -0.565) 25.430 3.616 ( 3.447 5.818 -4.191) 7.955 4.423 ( 8.019 9.296 -14.062) 18.667 5.261 ( 8.757 9.962 8.801) 15.918 5.517 ( -1.690 5.056 2.756) 6.001 6.005 ( 5.547 1.994 11.305) 12.749 6.130 ( -1.543 -9.674 5.773) 11.371 6.154 ( 3.732 -6.100 3.571) 7.993 7.449 ( -7.586 -1.991 -8.115) 11.286 8.027 ( 2.896 -1.894 -4.228) 5.464 8.242 ( -12.812 -4.635 -7.699) 15.649 9.204 ( -6.911 -1.320 0.173) 7.038 10.080 ( -13.077 -7.228 0.322) 14.945 10.767 ( 0.653 -7.676 -3.466) 8.447 11.535 ( 0.056 15.692 -0.329) 15.695 14.027 ( -5.576 0.501 4.578) 7.232 15.043 ( 4.259 -19.626 -0.884) 20.103 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( 3.803 11.689 4.604) 13.126 3.414 ( 5.706 7.599 -7.400) 12.044 3.800 ( 8.520 16.562 -1.028) 18.654 4.486 ( -5.312 9.405 -16.210) 19.479 5.366 ( -1.655 3.233 6.615) 7.547 5.671 ( 6.824 2.360 11.362) 13.462 6.037 ( 1.162 -9.382 3.441) 10.061 6.069 ( -0.522 -4.460 -0.834) 4.568 6.227 ( 8.597 -7.130 7.960) 13.715 7.299 ( -4.124 0.290 -4.012) 5.761 7.921 ( -7.705 -0.513 -11.327) 13.709 8.146 ( 1.567 -0.507 4.628) 4.913 9.144 ( -2.685 5.779 0.007) 6.372 9.797 ( -11.836 -8.392 1.419) 14.579 10.702 ( -0.033 -4.630 -3.712) 5.934 11.680 ( -4.682 21.651 0.088) 22.151 13.950 ( -1.701 -5.219 1.640) 5.728 14.926 ( 4.917 -19.900 0.019) 20.498 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( -6.046 8.241 -1.817) 10.381 3.524 ( 6.381 1.214 -1.914) 6.772 4.133 ( 8.339 19.095 -4.782) 21.378 4.344 ( -16.109 12.395 -13.246) 24.261 5.368 ( -2.939 -0.676 4.217) 5.185 5.706 ( -4.365 -5.689 1.627) 7.353 5.971 ( 1.053 -7.791 2.282) 8.187 6.035 ( 4.380 -6.405 -1.492) 7.901 6.295 ( 6.779 -9.955 5.750) 13.347 7.337 ( 4.567 3.538 8.629) 10.385 7.804 ( -4.213 4.368 -7.954) 10.005 8.193 ( 2.891 -1.508 4.368) 5.451 9.225 ( -1.753 17.053 1.633) 17.220 9.555 ( -4.861 -12.576 2.090) 13.644 10.653 ( 0.178 -2.846 -4.948) 5.710 11.776 ( -11.073 24.619 0.502) 27.000 13.898 ( 3.576 -8.641 0.265) 9.355 14.833 ( 6.641 -18.820 -0.587) 19.966 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -9.513 3.368 -4.135) 10.906 3.610 ( -0.131 3.528 -0.714) 3.602 4.043 ( -19.578 7.037 -8.713) 22.556 4.462 ( 4.462 19.833 -7.564) 21.690 5.257 ( -8.047 -1.190 -2.989) 8.666 5.552 ( -4.708 -5.304 -4.454) 8.375 5.942 ( 3.291 -8.245 1.997) 9.100 6.033 ( 2.633 -9.403 4.017) 10.559 6.303 ( 4.926 -12.417 5.796) 14.562 7.505 ( 3.855 6.250 11.056) 13.272 7.822 ( 2.617 6.267 -4.498) 8.146 8.246 ( 4.552 -2.241 4.563) 6.824 9.307 ( -10.807 12.227 3.915) 16.781 9.525 ( 12.981 -2.104 2.398) 13.367 10.624 ( 1.849 -2.393 -6.515) 7.183 11.779 ( -15.913 22.221 0.602) 27.338 13.911 ( 6.759 -7.232 0.823) 9.933 14.788 ( 9.230 -16.813 -2.382) 19.327 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( -11.848 0.888 -3.073) 12.272 3.484 ( -21.447 6.905 -6.239) 23.379 3.829 ( -7.648 1.866 0.394) 7.882 4.608 ( -3.097 11.506 -9.432) 15.196 5.159 ( -2.700 4.743 -2.596) 6.043 5.409 ( -6.472 -2.322 -5.691) 8.926 5.934 ( 4.231 -8.289 1.522) 9.430 5.953 ( -0.391 -13.256 5.843) 14.492 6.272 ( 4.071 -12.703 6.149) 14.688 7.631 ( 0.236 8.242 4.754) 9.517 7.922 ( 2.242 3.515 -1.243) 4.350 8.377 ( 11.349 0.467 5.555) 12.645 9.257 ( -1.998 0.458 3.481) 4.040 9.812 ( 12.061 11.414 4.157) 17.118 10.632 ( 5.188 -2.674 -7.625) 9.602 11.688 ( -16.715 15.813 0.383) 23.013 13.974 ( 5.100 -2.916 2.977) 6.586 14.809 ( 12.487 -13.419 -4.751) 18.936 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -15.008 -0.635 -1.363) 15.084 3.078 ( -30.004 5.159 -3.917) 30.695 3.742 ( -6.043 -0.457 0.740) 6.105 4.496 ( -15.839 3.269 -6.047) 17.267 5.182 ( -7.442 3.884 -1.920) 8.611 5.300 ( 0.563 3.740 -3.172) 4.936 5.829 ( -0.367 -8.862 6.766) 11.155 5.966 ( 8.548 -8.514 -1.416) 12.148 6.249 ( 4.635 -11.368 6.472) 13.878 7.707 ( -1.420 6.530 1.148) 6.780 7.939 ( -1.506 2.192 -1.997) 3.326 8.639 ( 14.619 2.467 3.749) 15.293 9.288 ( 4.631 -0.827 2.888) 5.520 10.132 ( 11.855 9.632 3.905) 15.766 10.708 ( 9.843 -1.790 -7.157) 12.301 11.547 ( -14.049 9.021 0.089) 16.696 14.020 ( 0.362 -0.599 5.154) 5.201 14.918 ( 14.786 -7.545 -6.164) 17.708 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -20.951 -1.533 -0.475) 21.013 2.601 ( -29.942 2.454 0.806) 30.053 3.597 ( -10.455 -2.048 -0.477) 10.664 4.127 ( -27.889 0.932 -1.441) 27.942 4.931 ( -19.397 -1.361 -6.347) 20.455 5.400 ( 2.599 1.003 7.706) 8.194 5.920 ( 12.163 5.513 0.926) 13.386 6.047 ( 10.889 -7.048 -2.751) 13.260 6.255 ( 6.082 -9.964 6.783) 13.501 7.695 ( -4.285 1.131 -1.084) 4.562 7.942 ( -1.069 4.907 -2.416) 5.573 8.883 ( 11.354 0.319 -0.216) 11.361 9.407 ( 8.890 -0.392 1.889) 9.097 10.405 ( 13.023 2.588 1.651) 13.380 10.883 ( 13.541 1.360 -4.894) 14.462 11.409 ( -9.658 3.783 -0.186) 10.374 14.000 ( -3.639 -1.612 5.835) 7.063 15.104 ( 13.945 -0.377 -5.245) 14.903 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -29.391 0.536 1.745) 29.448 2.157 ( -26.258 -0.936 3.521) 26.510 3.319 ( -24.537 1.253 1.980) 24.649 3.664 ( -25.195 1.144 0.522) 25.226 4.518 ( -26.620 0.801 -3.957) 26.924 5.445 ( 2.028 -1.818 2.452) 3.665 6.150 ( 8.419 -1.271 -0.239) 8.518 6.199 ( 7.232 3.243 -5.265) 9.515 6.367 ( 19.161 -8.086 5.921) 21.624 7.625 ( -2.914 0.830 -0.816) 3.138 7.967 ( -0.537 3.688 -0.106) 3.729 9.009 ( 5.867 -2.419 -3.560) 7.276 9.564 ( 10.037 -1.684 0.558) 10.192 10.642 ( 14.823 -1.196 -0.662) 14.886 11.119 ( 13.027 2.300 -3.799) 13.763 11.308 ( -3.992 -0.081 -0.711) 4.055 13.910 ( -6.046 -3.809 4.795) 8.605 15.323 ( 10.713 5.221 -2.432) 12.163 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 0.000 19.430 12.885) 23.314 2.001 ( 0.000 19.788 9.787) 22.076 3.143 ( 0.000 36.497 3.738) 36.688 3.324 ( -0.000 10.110 -4.901) 11.235 4.210 ( -0.000 26.780 -2.289) 26.877 5.518 ( -0.000 8.169 -1.705) 8.345 6.129 ( -0.000 -7.024 -0.515) 7.042 6.288 ( -0.000 -3.071 -2.002) 3.666 7.081 ( -0.000 -22.580 -3.732) 22.887 7.556 ( 0.000 -6.453 6.028) 8.830 7.680 ( 0.000 6.386 1.839) 6.646 9.025 ( -0.000 1.141 -4.136) 4.290 9.689 ( -0.000 -13.090 -0.200) 13.091 10.833 ( -0.000 -10.196 -3.195) 10.685 11.079 ( -0.000 -13.013 -8.218) 15.391 11.144 ( -0.000 -0.916 -0.057) 0.918 14.187 ( 0.000 14.089 13.639) 19.609 15.073 ( -0.000 -10.775 -12.074) 16.182 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 4.451 18.418 8.579) 20.800 2.322 ( 11.125 17.254 9.190) 22.493 3.387 ( 0.861 14.510 -3.753) 15.012 3.594 ( 12.764 21.386 -5.238) 25.451 4.501 ( 5.711 24.022 1.151) 24.719 5.603 ( -1.135 11.106 2.263) 11.391 6.052 ( 0.696 -11.070 1.577) 11.203 6.183 ( -6.855 -4.224 -2.237) 8.357 6.748 ( -13.533 -11.632 2.464) 18.015 7.536 ( 2.059 -1.452 -1.451) 2.908 7.812 ( 4.913 2.217 0.714) 5.437 8.951 ( -6.712 -3.626 -6.567) 10.066 9.570 ( 0.638 -11.405 -0.025) 11.423 10.661 ( -7.012 -9.899 -0.604) 12.146 10.866 ( -3.275 -14.580 -7.948) 16.926 11.230 ( 7.413 1.303 -0.339) 7.534 14.308 ( -4.455 8.284 16.212) 18.743 14.975 ( 3.972 -10.186 -12.563) 16.654 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 10.125 15.870 4.918) 19.457 2.738 ( 14.923 18.126 7.653) 24.695 3.512 ( 2.092 8.836 -5.641) 10.689 3.972 ( 15.255 13.433 -11.097) 23.158 4.857 ( 9.835 19.885 5.767) 22.921 5.700 ( -2.674 11.888 4.171) 12.879 5.922 ( -2.201 -13.322 4.086) 14.107 6.055 ( -1.831 -4.258 2.635) 5.332 6.478 ( -13.297 -2.449 6.600) 15.046 7.567 ( 2.123 1.280 -5.546) 6.075 7.868 ( 2.367 -1.052 -2.799) 3.814 8.694 ( -12.618 -8.170 -10.998) 18.626 9.463 ( -4.443 -6.860 1.509) 8.311 10.452 ( -7.721 -7.264 0.909) 10.639 10.681 ( 1.776 -15.052 -6.294) 16.412 11.390 ( 7.428 6.637 -0.789) 9.993 14.313 ( -8.210 4.865 13.406) 16.455 14.890 ( 3.496 -14.216 -8.705) 17.032 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 11.887 11.864 3.669) 17.190 3.199 ( 13.743 22.063 3.906) 26.285 3.581 ( 2.183 3.573 -7.014) 8.169 4.284 ( 13.932 9.364 -12.803) 21.112 5.218 ( 10.764 12.979 8.200) 18.750 5.694 ( -9.830 8.276 -0.874) 12.880 5.866 ( 8.028 -16.183 13.470) 22.534 6.049 ( 0.911 1.337 7.116) 7.297 6.284 ( -11.531 -0.081 7.132) 13.559 7.550 ( -5.436 4.010 -9.008) 11.259 7.879 ( 4.950 -5.549 -5.416) 9.199 8.355 ( -12.274 -7.982 -11.597) 18.678 9.313 ( -7.300 -2.874 2.979) 8.392 10.248 ( -11.156 -3.886 -0.906) 11.848 10.610 ( 6.195 -11.477 -2.529) 13.285 11.602 ( 7.368 12.673 -1.100) 14.700 14.220 ( -11.524 2.282 8.733) 14.638 14.760 ( 3.604 -19.983 -4.410) 20.779 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 11.360 8.616 3.683) 14.725 3.475 ( -3.087 9.989 -7.416) 12.818 3.762 ( 14.989 14.898 -0.512) 21.140 4.522 ( 7.603 10.877 -12.714) 18.379 5.456 ( 1.514 3.725 7.039) 8.106 5.644 ( -0.839 4.523 5.132) 6.892 5.876 ( 7.104 -16.007 9.217) 19.790 6.098 ( -5.187 0.560 4.546) 6.920 6.156 ( -2.468 -1.301 9.621) 10.018 7.413 ( -9.499 3.568 -8.532) 13.258 7.883 ( 4.599 -6.413 -9.430) 12.297 8.122 ( -4.127 -4.300 -5.552) 8.145 9.230 ( -3.365 2.613 4.972) 6.547 10.002 ( -14.120 -1.914 -1.321) 14.310 10.611 ( 4.116 -6.140 -1.966) 7.649 11.866 ( 5.921 19.133 -0.877) 20.047 14.039 ( -12.337 -2.202 4.317) 13.255 14.613 ( 5.705 -23.822 -1.459) 24.539 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 3.894 7.196 3.083) 8.743 3.432 ( 0.124 1.445 -7.751) 7.886 4.171 ( 10.932 21.758 -3.430) 24.591 4.633 ( -5.059 15.408 -12.521) 20.488 5.426 ( -4.231 -2.254 6.800) 8.321 5.720 ( 0.729 -4.074 6.338) 7.570 5.871 ( 5.331 -10.157 5.177) 12.585 5.950 ( -6.880 -5.003 -0.075) 8.507 6.154 ( 0.920 -6.171 5.649) 8.417 7.355 ( 0.325 4.966 3.308) 5.976 7.850 ( 0.070 0.428 -10.931) 10.940 8.073 ( 4.172 -6.474 -2.637) 8.141 9.280 ( 1.648 4.267 7.403) 8.702 9.760 ( -14.169 3.925 -0.768) 14.723 10.600 ( 0.915 -3.259 -3.494) 4.865 12.129 ( -0.808 24.852 -0.113) 24.865 13.829 ( -6.781 -7.862 1.356) 10.471 14.493 ( 8.270 -24.557 -0.499) 25.917 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( -7.850 1.524 -4.749) 9.301 3.585 ( 7.276 4.256 1.152) 8.508 4.395 ( -10.454 15.260 -10.225) 21.136 4.641 ( -4.252 22.084 -7.204) 23.615 5.355 ( -4.411 -3.313 4.754) 7.282 5.577 ( -7.454 -4.030 -6.719) 10.814 5.846 ( 0.211 -8.694 5.923) 10.522 5.888 ( 4.875 -10.313 4.901) 12.416 6.124 ( 3.416 -10.881 5.371) 12.606 7.514 ( 6.776 7.025 11.396) 15.005 7.846 ( 0.426 5.460 -9.041) 10.570 8.085 ( 7.106 -8.518 -3.603) 11.663 9.309 ( -0.989 -8.549 5.909) 10.439 9.710 ( -4.815 21.776 3.465) 22.570 10.557 ( -0.223 -3.564 -5.785) 6.798 12.259 ( -13.377 24.002 0.586) 27.484 13.729 ( 4.790 -7.657 0.368) 9.039 14.419 ( 10.896 -23.118 -1.094) 25.580 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( -9.684 0.768 -2.680) 10.077 3.710 ( 1.638 4.985 0.163) 5.250 4.133 ( -25.240 7.453 -7.175) 27.278 4.778 ( -4.125 17.194 -8.728) 19.719 5.264 ( -4.800 4.592 -0.491) 6.661 5.457 ( -3.321 -1.116 -5.062) 6.156 5.791 ( 1.803 -10.451 5.164) 11.796 5.855 ( 1.919 -11.920 7.401) 14.162 6.096 ( 4.358 -11.808 5.313) 13.662 7.709 ( 2.548 7.816 6.937) 10.757 7.908 ( 2.788 3.942 -4.304) 6.468 8.154 ( 12.552 -5.233 -2.906) 13.906 9.203 ( -0.407 -9.661 3.437) 10.262 9.947 ( 1.114 24.539 7.258) 25.614 10.496 ( 2.082 -6.560 -8.053) 10.593 12.148 ( -20.779 14.098 0.363) 25.113 13.837 ( 9.991 0.272 1.867) 10.167 14.416 ( 14.357 -18.902 -2.620) 23.881 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -12.323 0.712 -0.437) 12.351 3.635 ( -27.565 9.471 -2.690) 29.270 3.805 ( -5.011 -3.455 -1.689) 6.317 4.744 ( -10.489 7.516 -6.456) 14.429 5.322 ( -0.067 11.963 2.328) 12.188 5.355 ( -6.382 0.147 -5.959) 8.733 5.723 ( 1.608 -13.394 6.100) 14.805 5.819 ( 2.766 -5.495 5.025) 7.943 6.089 ( 4.905 -8.774 4.466) 11.000 7.790 ( -1.237 4.218 0.806) 4.469 7.942 ( 1.439 0.586 -3.478) 3.809 8.388 ( 16.881 -0.011 -1.194) 16.923 9.170 ( 4.545 -5.985 2.455) 7.906 10.184 ( -0.089 14.172 5.670) 15.264 10.493 ( 9.418 -4.564 -7.052) 12.620 11.896 ( -19.438 5.248 -0.175) 20.135 13.992 ( 4.818 0.942 3.608) 6.093 14.547 ( 18.570 -7.630 -3.250) 20.338 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -16.045 1.176 1.143) 16.129 3.149 ( -32.505 1.471 -0.043) 32.539 3.718 ( -5.818 -0.544 -1.878) 6.138 4.535 ( -18.921 2.929 -2.172) 19.269 5.178 ( -12.270 1.222 -7.303) 14.331 5.439 ( -1.870 2.686 12.798) 13.210 5.723 ( 10.018 -2.974 -0.346) 10.456 5.882 ( 6.482 0.811 2.797) 7.106 6.120 ( 4.670 -4.080 2.685) 6.758 7.752 ( -3.075 -2.258 -3.191) 4.974 7.973 ( 0.574 2.900 -1.083) 3.148 8.639 ( 15.077 -2.587 -4.694) 16.001 9.249 ( 8.136 -1.916 0.940) 8.411 10.262 ( 5.734 -3.669 -0.169) 6.809 10.681 ( 11.957 4.967 -1.310) 13.014 11.630 ( -14.869 -0.076 -0.498) 14.878 14.027 ( -0.139 -3.017 3.062) 4.301 14.839 ( 18.021 3.865 -0.997) 18.458 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -21.203 3.178 1.913) 21.525 2.624 ( -30.555 -1.246 2.819) 30.711 3.583 ( -9.484 1.096 -1.923) 9.739 4.173 ( -27.527 3.406 2.719) 27.870 4.920 ( -19.140 4.384 -6.006) 20.533 5.426 ( -1.327 -3.075 8.214) 8.871 5.885 ( 12.049 -5.708 -1.757) 13.448 6.113 ( 11.780 10.148 2.548) 15.756 6.176 ( 3.941 -0.375 0.480) 3.987 7.663 ( -2.305 -2.063 -3.710) 4.830 7.988 ( -0.472 -0.492 1.712) 1.842 8.798 ( 11.772 -6.077 -8.352) 15.661 9.378 ( 9.177 -2.622 -0.850) 9.582 10.376 ( 13.611 -4.735 -1.179) 14.460 10.922 ( 11.970 3.643 -1.036) 12.555 11.405 ( -9.606 -3.742 -0.446) 10.319 13.968 ( -3.691 -3.898 2.475) 5.911 15.173 ( 14.411 7.838 1.456) 16.469 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 0.000 15.308 9.346) 17.936 2.380 ( 0.000 14.097 6.725) 15.619 3.483 ( -0.000 9.392 -4.437) 10.387 3.668 ( -0.000 19.514 -10.433) 22.128 4.697 ( 0.000 24.135 4.203) 24.498 5.715 ( 0.000 2.881 9.153) 9.596 5.955 ( -0.000 -5.031 -0.126) 5.032 6.206 ( -0.000 -3.470 -2.404) 4.221 6.697 ( -0.000 -13.455 -5.524) 14.545 7.528 ( -0.000 1.777 -0.469) 1.838 7.855 ( 0.000 8.951 4.728) 10.123 8.967 ( -0.000 -3.981 -4.695) 6.155 9.398 ( -0.000 -15.555 -2.892) 15.821 10.623 ( -0.000 -9.306 -3.628) 9.988 10.757 ( -0.000 -15.527 -4.296) 16.110 11.138 ( 0.000 -0.174 0.811) 0.829 14.436 ( 0.000 -1.585 17.447) 17.519 14.855 ( -0.000 -0.006 -13.692) 13.692 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 4.250 14.160 5.467) 15.763 2.651 ( 13.208 11.457 7.303) 18.948 3.564 ( 0.689 8.805 -5.057) 10.177 3.840 ( 8.480 9.964 -13.488) 18.791 4.971 ( 3.556 21.748 6.343) 22.932 5.684 ( 2.767 -18.742 14.040) 23.581 5.981 ( -4.322 13.581 -1.961) 14.386 6.109 ( -5.104 -1.882 -0.151) 5.441 6.572 ( -1.634 -6.752 -2.712) 7.458 7.547 ( -0.395 4.271 -2.670) 5.052 7.923 ( -3.644 6.984 2.515) 8.269 8.778 ( -11.514 -8.859 -8.333) 16.748 9.349 ( 8.212 -10.510 -1.514) 13.423 10.490 ( -4.822 -7.856 -0.050) 9.218 10.521 ( -4.413 -16.038 -4.945) 17.353 11.267 ( 11.792 2.398 0.181) 12.035 14.423 ( -0.728 -7.865 10.596) 13.216 14.813 ( -4.546 2.588 -6.549) 8.382 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 8.190 11.381 3.646) 14.488 3.072 ( 20.874 11.864 5.408) 24.611 3.609 ( -1.805 6.047 -7.442) 9.758 4.070 ( 15.019 6.083 -11.226) 19.713 5.247 ( 5.040 14.811 6.294) 16.863 5.602 ( 5.778 -20.872 13.597) 25.571 5.949 ( -8.771 7.684 -0.390) 11.667 6.115 ( -1.345 7.903 5.393) 9.662 6.463 ( -6.557 -2.270 1.449) 7.089 7.582 ( 1.071 4.222 -5.393) 6.932 7.879 ( -7.707 3.235 -1.999) 8.594 8.434 ( -12.918 -10.592 -11.107) 20.060 9.360 ( 0.621 -3.970 0.378) 4.036 10.326 ( -3.741 -9.773 -8.538) 13.506 10.370 ( 3.430 -10.633 6.067) 12.713 11.531 ( 13.412 8.355 -0.584) 15.812 14.344 ( -1.089 -11.117 6.164) 12.758 14.678 ( -11.173 -0.903 -2.267) 11.436 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 10.037 8.009 2.856) 13.155 3.554 ( 10.614 1.573 -5.059) 11.863 3.606 ( 8.687 15.696 -0.299) 17.942 4.366 ( 16.286 6.808 -8.523) 19.602 5.423 ( 5.003 -2.358 6.292) 8.378 5.597 ( 6.972 -9.182 10.766) 15.774 5.881 ( -9.095 7.647 1.309) 11.954 6.178 ( -1.682 4.383 7.510) 8.857 6.319 ( -10.000 -0.783 4.576) 11.025 7.596 ( -6.242 6.631 -9.054) 12.842 7.729 ( -3.504 -5.580 -5.662) 8.687 8.141 ( -6.844 -6.996 -8.011) 12.648 9.331 ( -2.569 2.622 4.278) 5.637 10.128 ( -6.852 -7.472 -7.202) 12.436 10.428 ( 9.528 -6.811 3.870) 12.335 11.865 ( 13.408 15.141 -0.944) 20.246 14.217 ( -2.628 -12.630 4.506) 13.665 14.418 ( -13.884 -7.454 -1.413) 15.821 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( 10.544 5.147 1.925) 11.890 3.496 ( -4.517 0.803 -6.449) 7.915 4.107 ( 19.689 17.718 -0.193) 26.488 4.661 ( 11.972 9.760 -7.461) 17.154 5.437 ( 2.699 -10.090 6.815) 12.471 5.681 ( 5.570 -4.854 6.307) 9.714 5.782 ( -9.579 2.901 1.712) 10.154 6.124 ( -11.843 -0.385 3.251) 12.287 6.178 ( -5.669 -2.201 5.544) 8.229 7.449 ( -6.810 3.221 -2.828) 8.047 7.719 ( 5.984 -3.271 -7.576) 10.193 8.003 ( -2.019 -3.581 -5.873) 7.169 9.371 ( -1.719 6.601 9.058) 11.339 9.926 ( -6.591 -3.881 -7.366) 10.619 10.523 ( 5.303 -2.850 1.216) 6.142 12.254 ( 11.960 21.405 -0.744) 24.531 14.007 ( -17.142 -3.776 3.331) 17.866 14.135 ( 2.373 -23.885 -1.554) 24.053 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( -5.814 0.994 -4.072) 7.167 3.478 ( 9.603 2.958 1.024) 10.100 4.542 ( 10.241 18.431 -4.151) 21.489 4.868 ( 1.095 14.610 -7.810) 16.602 5.378 ( -2.478 -6.175 7.175) 9.785 5.644 ( -5.748 -3.920 -2.440) 7.373 5.704 ( 3.663 -10.430 4.078) 11.783 5.891 ( -12.216 -4.101 4.077) 13.515 6.074 ( -4.146 -4.305 3.319) 6.837 7.498 ( 6.012 5.146 6.726) 10.386 7.769 ( 6.169 -2.928 -7.210) 9.931 7.945 ( 0.251 -1.428 -6.391) 6.554 9.367 ( -7.538 -1.283 8.493) 11.428 9.878 ( 2.673 8.168 -3.711) 9.361 10.538 ( -1.142 -1.480 -1.284) 2.267 12.613 ( 1.547 24.426 0.041) 24.475 13.694 ( -10.673 -6.077 0.534) 12.293 14.006 ( 9.335 -24.541 -0.306) 26.258 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( -7.741 1.458 -0.915) 7.930 3.645 ( 7.781 1.192 -0.937) 7.927 4.603 ( -19.429 10.944 -6.461) 23.216 4.980 ( -2.394 15.785 -6.667) 17.301 5.344 ( 1.178 -0.677 6.668) 6.805 5.507 ( -6.308 2.683 -10.354) 12.417 5.646 ( 3.179 -14.131 5.067) 15.345 5.754 ( 0.170 -9.364 10.516) 14.081 5.994 ( -1.342 -4.659 3.275) 5.851 7.724 ( 9.610 6.495 5.834) 12.983 7.800 ( 5.306 -7.246 -5.655) 10.613 7.963 ( 4.112 3.629 -4.817) 7.300 9.209 ( -7.463 -5.419 4.359) 10.201 10.085 ( 8.480 11.671 0.651) 14.441 10.450 ( -5.900 -2.853 -2.498) 7.013 12.628 ( -20.751 11.299 0.242) 23.629 13.693 ( 10.118 5.762 0.764) 11.669 13.974 ( 13.964 -20.713 -0.929) 24.998 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( -9.988 1.824 1.568) 10.273 3.743 ( 4.219 -1.046 -2.860) 5.203 4.216 ( -30.311 3.777 -2.553) 30.652 4.953 ( -9.345 5.418 -4.239) 11.604 5.403 ( -1.370 -4.867 -2.500) 5.640 5.459 ( -0.443 14.402 0.314) 14.412 5.596 ( 1.866 -9.464 4.561) 10.670 5.753 ( 3.044 -3.812 9.334) 10.532 5.974 ( 2.406 -2.536 2.030) 4.043 7.770 ( 3.223 -8.838 -6.704) 11.552 7.909 ( 3.769 6.549 -0.798) 7.598 8.133 ( 12.114 2.338 0.076) 12.337 9.104 ( -1.050 -2.231 2.643) 3.615 10.238 ( 2.712 -14.830 -8.081) 17.105 10.385 ( 0.885 14.974 6.262) 16.255 12.283 ( -23.654 -0.184 -0.355) 23.657 13.898 ( 7.372 -2.821 1.226) 7.988 14.170 ( 21.247 3.315 -0.281) 21.506 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -12.771 1.965 3.156) 13.301 3.643 ( -21.572 -6.618 -2.338) 22.685 3.803 ( -11.285 4.078 -1.450) 12.087 4.792 ( -11.481 0.054 -2.179) 11.686 5.299 ( -4.746 -4.425 0.799) 6.538 5.529 ( -2.073 -5.987 7.326) 9.686 5.643 ( 3.119 14.900 1.489) 15.296 5.826 ( 3.627 2.422 5.953) 7.380 6.039 ( 4.497 2.622 -0.337) 5.217 7.700 ( 1.406 -8.523 -7.814) 11.648 7.994 ( 0.643 3.667 1.271) 3.934 8.339 ( 13.601 -3.536 -5.942) 15.258 9.148 ( 4.066 2.628 0.328) 4.852 10.079 ( 3.641 -16.947 -4.332) 17.867 10.601 ( 6.706 9.018 3.376) 11.734 11.891 ( -19.402 -5.386 -0.595) 20.145 13.960 ( 4.697 -4.311 0.366) 6.386 14.601 ( 19.114 12.125 2.006) 22.724 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -15.880 1.778 3.896) 16.448 3.133 ( -30.041 -1.409 1.288) 30.102 3.697 ( -5.922 -0.662 -3.475) 6.898 4.568 ( -15.564 1.206 -0.008) 15.610 5.164 ( -9.110 0.021 -0.041) 9.110 5.458 ( -2.194 -4.918 6.028) 8.083 5.785 ( -0.883 6.295 5.721) 8.552 6.025 ( 10.736 9.081 4.359) 14.721 6.151 ( 3.532 7.529 -2.772) 8.766 7.614 ( 1.011 -6.760 -7.445) 10.107 8.006 ( -1.690 -1.352 3.805) 4.378 8.474 ( 13.362 -8.501 -11.963) 19.847 9.231 ( 4.862 -1.373 -2.475) 5.626 10.084 ( 13.346 -8.440 -1.012) 15.823 10.793 ( 8.140 3.914 1.301) 9.125 11.542 ( -13.918 -8.833 -0.359) 16.488 13.974 ( 0.189 -1.826 0.424) 1.884 15.017 ( 15.797 10.929 3.397) 19.507 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 0.000 11.288 7.336) 13.463 2.637 ( 0.000 9.000 4.564) 10.091 3.617 ( -0.000 7.338 -3.728) 8.230 3.797 ( -0.000 5.095 -14.684) 15.543 5.167 ( 0.000 19.036 5.514) 19.818 5.501 ( 0.000 -21.806 14.691) 26.293 6.138 ( -0.000 -2.171 -1.338) 2.550 6.163 ( 0.000 15.288 0.300) 15.291 6.485 ( -0.000 -4.017 -7.071) 8.132 7.612 ( -0.000 7.238 -1.803) 7.459 8.057 ( 0.000 7.938 5.063) 9.415 8.821 ( -0.000 -7.077 -6.134) 9.365 9.082 ( -0.000 -14.256 -3.860) 14.769 10.389 ( -0.000 -10.766 -10.846) 15.282 10.496 ( 0.000 -10.931 6.461) 12.698 11.144 ( 0.000 0.124 0.854) 0.863 14.352 ( 0.000 -9.595 2.147) 9.832 14.910 ( 0.000 5.993 1.385) 6.151 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 4.068 9.949 3.766) 11.389 2.865 ( 14.256 6.461 6.041) 16.777 3.667 ( -0.847 5.466 -5.529) 7.821 3.862 ( 9.788 2.601 -10.420) 14.531 5.284 ( 2.588 -9.686 7.280) 12.391 5.446 ( 1.976 3.393 11.104) 11.778 6.082 ( -3.583 0.336 0.672) 3.661 6.268 ( -1.738 9.221 1.351) 9.481 6.469 ( 0.244 1.327 -5.696) 5.854 7.654 ( -2.895 7.659 -1.547) 8.333 8.072 ( -7.714 5.919 2.707) 10.093 8.525 ( -14.985 -10.593 -9.064) 20.468 9.164 ( 15.568 -6.911 -2.609) 17.232 10.196 ( -4.903 -12.688 -6.943) 15.272 10.374 ( -4.032 -6.500 5.239) 9.271 11.318 ( 16.801 2.543 0.288) 16.994 14.254 ( -1.528 -9.698 -0.389) 9.826 14.895 ( -8.813 3.789 3.494) 10.209 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 6.690 6.946 3.312) 10.197 3.258 ( 22.513 4.889 2.389) 23.161 3.667 ( -1.180 4.881 -4.630) 6.830 4.098 ( 17.395 3.173 -5.829) 18.618 5.236 ( 6.073 -17.087 9.474) 20.460 5.577 ( 1.293 7.879 5.613) 9.760 6.053 ( -3.402 3.513 2.349) 5.425 6.302 ( -2.487 4.110 2.934) 5.630 6.433 ( -5.427 2.182 -3.169) 6.652 7.662 ( -3.273 6.356 -1.209) 7.251 7.928 ( -15.524 2.770 -4.389) 16.369 8.172 ( -10.055 -9.203 -6.967) 15.308 9.334 ( 7.859 1.591 -0.434) 8.030 10.017 ( 1.219 -13.285 -6.753) 14.953 10.304 ( 0.540 -4.013 5.895) 7.152 11.689 ( 20.898 7.784 -0.236) 22.302 14.104 ( -3.721 -12.039 -0.837) 12.628 14.714 ( -17.089 1.264 3.309) 17.453 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 8.692 3.857 2.170) 9.754 3.513 ( 2.355 0.170 -4.497) 5.079 3.880 ( 21.200 9.771 2.997) 23.535 4.430 ( 19.502 4.040 -3.511) 20.223 5.236 ( 7.915 -13.289 7.921) 17.377 5.651 ( -0.234 2.247 2.699) 3.519 6.008 ( -8.441 4.411 0.286) 9.528 6.278 ( -5.986 1.365 3.393) 7.015 6.310 ( -8.577 -0.865 -0.852) 8.663 7.614 ( -12.804 -2.673 -3.259) 13.480 7.679 ( -4.084 6.506 -4.208) 8.758 7.994 ( -3.401 -4.090 -3.800) 6.537 9.473 ( 2.568 8.423 5.552) 10.410 9.879 ( -0.939 -11.148 -9.590) 14.735 10.374 ( 8.626 -3.095 4.583) 10.247 12.142 ( 21.439 12.885 -0.474) 25.018 13.904 ( -3.746 -14.992 -0.612) 15.465 14.386 ( -23.074 -0.901 2.221) 23.198 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( 9.655 1.302 0.428) 9.752 3.484 ( -3.693 1.510 -1.450) 4.245 4.374 ( 23.780 8.225 1.845) 25.229 4.773 ( 16.787 5.033 -2.142) 17.655 5.288 ( 7.213 -7.475 5.853) 11.923 5.627 ( -2.397 -2.985 -0.513) 3.862 5.831 ( -15.571 1.077 -1.062) 15.644 6.108 ( -13.869 -1.546 -3.060) 14.286 6.161 ( -7.542 -2.042 2.661) 8.254 7.472 ( -0.832 0.324 1.436) 1.691 7.693 ( 0.354 2.353 -0.045) 2.380 7.928 ( -0.485 0.121 -4.884) 4.910 9.532 ( -7.997 0.009 5.945) 9.964 9.807 ( 6.502 1.215 -6.127) 9.016 10.495 ( 5.863 -1.689 1.195) 6.218 12.624 ( 19.574 14.307 -0.350) 24.248 13.714 ( -0.684 -14.915 -0.324) 14.934 13.973 ( -23.936 -2.025 0.982) 24.042 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( -5.896 2.424 1.566) 6.564 3.496 ( 9.355 -0.794 -1.600) 9.524 4.761 ( 11.715 3.304 0.582) 12.186 5.037 ( 8.521 5.445 -1.594) 10.237 5.328 ( -1.176 -3.921 4.504) 6.086 5.536 ( -2.902 -2.416 -3.429) 5.100 5.589 ( -6.796 -1.886 -1.131) 7.143 5.832 ( -13.443 -1.833 -1.965) 13.709 6.049 ( -5.465 -1.271 3.533) 6.631 7.525 ( 6.319 -4.226 -3.513) 8.374 7.759 ( 3.998 4.101 5.808) 8.157 7.949 ( 1.800 4.374 -2.834) 5.514 9.333 ( -10.426 -4.975 0.274) 11.556 9.978 ( 8.382 2.616 -0.296) 8.786 10.522 ( -1.425 0.126 0.111) 1.435 12.922 ( -0.251 -0.109 -0.000) 0.273 13.652 ( 4.420 2.779 0.113) 5.222 13.674 ( -4.593 -2.835 -0.112) 5.399 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( -8.064 2.346 3.844) 9.236 3.614 ( 7.416 -2.457 -3.892) 8.728 4.673 ( -20.649 -2.279 0.091) 20.774 5.087 ( -4.635 -6.652 1.883) 8.323 5.265 ( 4.670 -7.040 -0.491) 8.463 5.538 ( 1.792 4.422 -2.739) 5.501 5.597 ( -0.542 7.892 -3.787) 8.771 5.723 ( 1.590 3.184 7.758) 8.535 5.985 ( -2.678 0.885 2.648) 3.869 7.538 ( 6.324 -9.389 -9.175) 14.572 7.916 ( 4.552 6.720 2.922) 8.626 8.041 ( 4.237 3.237 2.380) 5.839 9.163 ( -5.478 -0.312 0.153) 5.489 10.022 ( 2.096 -13.444 -4.384) 14.295 10.518 ( -1.175 6.299 3.185) 7.156 12.621 ( -20.793 -11.734 -0.344) 23.878 13.683 ( 9.016 -5.556 -0.199) 10.592 13.992 ( 15.499 21.018 0.858) 26.129 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( -10.323 1.254 4.909) 11.500 3.652 ( 2.210 -4.275 -5.363) 7.206 4.222 ( -27.512 -2.658 1.307) 27.671 4.885 ( -5.494 -13.281 0.104) 14.373 5.272 ( 0.477 -2.962 2.121) 3.674 5.549 ( -1.536 0.512 2.116) 2.664 5.735 ( 4.564 12.302 0.304) 13.124 5.869 ( 1.166 8.674 9.169) 12.676 6.019 ( 3.055 6.727 -2.130) 7.689 7.509 ( 5.430 -9.699 -10.812) 15.507 8.016 ( 1.031 1.006 4.703) 4.919 8.136 ( 5.725 -0.465 -4.665) 7.399 9.167 ( 0.171 7.507 0.074) 7.509 9.823 ( 1.094 -22.418 -4.557) 22.903 10.613 ( 2.755 6.124 3.347) 7.503 12.139 ( -20.689 -14.253 -0.466) 25.127 13.813 ( 8.823 -0.144 -0.467) 8.836 14.465 ( 16.271 19.231 2.121) 25.281 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( -12.670 -0.861 4.911) 13.616 3.523 ( -14.186 -2.044 -2.543) 14.557 3.817 ( -15.685 -1.653 -0.641) 15.785 4.693 ( -3.871 -8.856 -2.627) 10.015 5.236 ( -2.674 -2.897 5.523) 6.786 5.518 ( -4.974 2.038 4.241) 6.847 5.950 ( -2.808 6.464 8.297) 10.886 5.970 ( 7.946 12.277 3.139) 14.957 6.174 ( 4.070 12.068 -3.000) 13.084 7.464 ( 3.995 -8.050 -10.284) 13.657 8.016 ( 0.535 -5.721 6.705) 8.831 8.182 ( 5.726 -4.835 -12.748) 14.787 9.183 ( -2.417 -2.114 -3.396) 4.674 9.777 ( 13.827 -7.123 0.175) 15.555 10.726 ( 4.602 2.719 1.638) 5.590 11.681 ( -16.517 -15.658 -0.201) 22.760 13.938 ( 4.196 2.729 -0.544) 5.035 14.892 ( 14.469 13.777 3.189) 20.232 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 0.000 4.618 3.008) 5.512 2.862 ( 0.000 7.146 7.239) 10.171 3.712 ( -0.000 4.850 -2.846) 5.624 3.750 ( -0.000 0.045 -9.768) 9.768 5.126 ( 0.000 -18.588 10.298) 21.250 5.559 ( 0.000 11.267 5.244) 12.427 6.106 ( 0.000 -0.779 0.024) 0.779 6.291 ( -0.000 -0.912 -1.401) 1.672 6.541 ( -0.000 11.602 -3.945) 12.255 7.753 ( -0.000 7.716 -1.665) 7.894 8.204 ( 0.000 4.353 2.567) 5.054 8.638 ( -0.000 -6.495 -7.353) 9.811 8.829 ( -0.000 -9.319 -2.282) 9.595 10.138 ( -0.000 -7.417 -8.642) 11.388 10.377 ( 0.000 -7.033 7.598) 10.354 11.152 ( 0.000 0.203 0.488) 0.528 14.197 ( -0.000 -5.881 -1.601) 6.095 15.016 ( 0.000 2.467 4.076) 4.765 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 7.055 4.476 0.429) 8.366 2.995 ( 10.766 2.729 8.275) 13.850 3.704 ( -0.926 2.298 -3.655) 4.415 3.855 ( 11.582 2.009 -3.774) 12.346 5.026 ( 3.648 -15.050 9.169) 17.996 5.661 ( -0.175 7.023 2.590) 7.488 6.102 ( -0.107 0.507 1.477) 1.565 6.291 ( 1.663 -1.411 -1.786) 2.819 6.589 ( -5.150 8.497 -2.917) 10.355 7.792 ( -2.668 6.795 -1.417) 7.437 8.163 ( -9.641 2.199 -1.882) 10.066 8.294 ( -17.278 -6.818 -4.144) 19.031 9.059 ( 22.019 -2.200 -2.461) 22.265 9.962 ( -8.358 -6.762 -5.691) 12.164 10.309 ( -2.528 -4.301 6.309) 8.043 11.361 ( 21.162 1.649 0.157) 21.226 14.103 ( -4.895 -4.839 -1.334) 7.011 14.963 ( -9.637 0.758 3.192) 10.180 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 5.956 1.496 1.921) 6.435 3.322 ( 19.364 1.214 2.841) 19.609 3.736 ( 4.040 2.834 1.397) 5.129 4.123 ( 18.631 2.163 -1.460) 18.813 5.022 ( 6.863 -9.714 7.112) 13.858 5.697 ( -1.359 2.052 0.079) 2.463 6.106 ( -1.306 0.325 0.434) 1.414 6.298 ( 0.720 -0.793 -1.794) 2.089 6.506 ( -10.610 3.526 -1.853) 11.333 7.785 ( -6.318 3.316 -0.417) 7.147 7.884 ( -14.949 1.575 -8.868) 17.453 8.056 ( -10.030 -2.185 3.336) 10.793 9.402 ( 17.347 4.159 -0.188) 17.839 9.768 ( -4.111 -6.552 -5.947) 9.757 10.279 ( 1.085 -2.614 5.554) 6.233 11.801 ( 27.159 3.343 -0.182) 27.364 13.934 ( -9.280 -4.325 -0.664) 10.260 14.738 ( -18.200 -0.599 1.813) 18.299 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 8.209 -1.147 0.460) 8.301 3.529 ( 2.228 2.697 1.557) 3.829 3.997 ( 23.693 -0.882 4.890) 24.209 4.479 ( 20.832 2.123 0.893) 20.959 5.110 ( 8.831 -3.655 4.923) 10.751 5.656 ( -3.061 -1.669 -2.926) 4.552 6.038 ( -7.259 -0.826 -2.224) 7.637 6.245 ( -5.248 -1.833 -5.576) 7.873 6.310 ( -13.236 -0.387 -1.442) 13.320 7.596 ( -9.587 1.516 1.184) 9.778 7.786 ( -8.255 3.728 4.608) 10.162 7.935 ( -1.772 1.084 -3.435) 4.015 9.566 ( -0.343 -9.541 -4.478) 10.545 9.757 ( 5.796 11.729 1.801) 13.206 10.344 ( 7.819 -2.588 2.160) 8.515 12.282 ( 27.162 0.221 -0.277) 27.164 13.744 ( -9.211 0.248 -0.187) 9.216 14.376 ( -24.073 -1.077 0.529) 24.103 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( 9.440 -2.837 -1.560) 9.979 3.544 ( -3.930 3.304 4.194) 6.630 4.401 ( 25.123 -8.136 4.540) 26.795 4.828 ( 17.747 0.276 3.290) 18.052 5.264 ( 7.939 1.766 3.398) 8.815 5.568 ( -3.008 -0.645 -5.922) 6.673 5.803 ( -16.662 -2.255 -3.876) 17.255 6.047 ( -14.414 -0.755 -7.347) 16.196 6.122 ( -4.607 -2.237 -2.914) 5.892 7.519 ( -6.775 1.888 6.123) 9.325 7.748 ( 2.497 1.395 4.841) 5.623 7.967 ( 0.923 5.967 -1.335) 6.184 9.390 ( -5.367 -8.882 -7.226) 12.646 9.952 ( 1.479 7.793 7.457) 10.887 10.463 ( 7.330 -0.948 -1.878) 7.626 12.629 ( 19.556 -13.628 0.158) 23.837 13.715 ( -0.450 14.733 -0.356) 14.744 13.960 ( -23.917 0.755 -0.238) 23.930 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( 7.348 -4.456 -3.710) 9.360 3.509 ( -4.700 2.920 5.823) 8.033 4.624 ( 13.301 -17.729 3.984) 22.519 5.027 ( 4.084 -9.111 6.740) 12.046 5.285 ( -8.290 1.343 -2.013) 8.636 5.570 ( -0.989 4.794 -5.371) 7.267 5.612 ( 2.759 6.643 -4.403) 8.434 5.832 ( -7.349 4.732 -3.766) 9.518 6.045 ( -2.436 -0.355 -1.492) 2.878 7.425 ( -3.760 -3.671 0.941) 5.338 7.897 ( 6.410 5.811 4.448) 9.729 8.041 ( 1.104 3.965 2.617) 4.877 9.221 ( -3.515 -3.302 -5.556) 7.357 9.943 ( -6.002 -7.353 3.318) 10.055 10.553 ( 3.103 3.262 -0.268) 4.510 12.615 ( 0.653 -24.210 0.237) 24.220 13.685 ( -9.783 5.134 -0.310) 11.053 14.005 ( 9.920 24.817 -0.369) 26.729 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( -5.792 -3.849 2.428) 7.366 3.543 ( 3.959 -0.327 -1.638) 4.297 4.527 ( -7.651 -13.599 2.352) 15.780 4.762 ( -9.696 -20.009 2.852) 22.417 5.281 ( 0.801 3.302 -1.345) 3.654 5.581 ( -0.165 3.147 -2.094) 3.784 5.757 ( 4.791 9.837 -1.572) 11.054 5.946 ( 5.341 12.173 4.579) 14.060 6.034 ( 1.098 3.953 -3.155) 5.175 7.347 ( 0.177 -5.262 -3.406) 6.271 8.019 ( -0.539 -1.923 7.246) 7.516 8.079 ( 2.477 3.040 -4.175) 5.728 9.231 ( 3.711 8.219 -1.411) 9.127 9.659 ( -10.271 -20.115 -1.014) 22.608 10.633 ( 1.908 3.963 1.379) 4.609 12.251 ( -13.746 -23.999 -0.141) 27.657 13.725 ( 4.554 7.763 -0.086) 9.000 14.433 ( 12.528 22.696 0.260) 25.925 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( -8.739 -5.870 3.010) 10.949 3.575 ( 0.563 0.396 -2.994) 3.073 4.165 ( -23.497 -3.204 2.202) 23.816 4.526 ( 3.847 -20.315 -2.843) 20.871 5.292 ( -2.095 1.089 2.481) 3.426 5.619 ( -0.629 4.284 3.031) 5.285 5.941 ( 6.018 8.656 1.192) 10.610 6.067 ( 0.911 5.654 3.699) 6.818 6.215 ( 6.013 14.082 -1.226) 15.361 7.308 ( 2.462 -4.269 -6.006) 7.769 7.925 ( -1.534 -10.484 1.050) 10.648 8.126 ( -0.325 0.475 -2.873) 2.930 9.239 ( -11.539 -10.371 -2.525) 15.719 9.519 ( 14.236 4.411 1.222) 14.953 10.698 ( 2.125 2.042 0.679) 3.024 11.771 ( -15.783 -22.150 -0.059) 27.198 13.899 ( 5.782 7.635 -0.336) 9.583 14.826 ( 11.514 16.030 1.270) 19.777 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 0.000 0.769 1.692) 1.858 2.995 ( 0.000 1.016 7.911) 7.976 3.720 ( -0.000 1.755 -1.130) 2.088 3.765 ( -0.000 2.305 -1.822) 2.938 4.900 ( 0.000 -10.221 7.438) 12.641 5.718 ( 0.000 3.053 0.393) 3.078 6.101 ( 0.000 -0.220 0.922) 0.948 6.266 ( -0.000 -0.054 -0.974) 0.976 6.692 ( -0.000 5.324 -3.161) 6.192 7.848 ( -0.000 3.032 -3.659) 4.752 8.254 ( -0.000 0.685 -1.775) 1.902 8.516 ( -0.000 -0.539 -5.688) 5.714 8.710 ( 0.000 -2.627 1.313) 2.936 10.008 ( -0.000 -0.745 -6.400) 6.443 10.321 ( 0.000 -4.187 8.038) 9.063 11.156 ( 0.000 0.028 0.099) 0.103 14.118 ( -0.000 -1.403 -0.853) 1.642 15.055 ( 0.000 -0.438 2.170) 2.214 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 8.666 -0.857 -1.467) 8.831 3.065 ( 8.975 -2.476 9.479) 13.287 3.744 ( -0.229 2.343 2.590) 3.500 3.882 ( 11.679 2.218 0.342) 11.893 4.883 ( 3.880 -4.308 5.113) 7.730 5.717 ( -0.783 -1.475 -1.713) 2.392 6.103 ( -0.027 -0.871 -0.054) 0.873 6.279 ( 1.212 1.031 -0.161) 1.599 6.662 ( -5.925 0.837 -3.025) 6.705 7.835 ( -1.606 -0.992 -5.610) 5.919 8.127 ( -13.284 1.637 -8.025) 15.606 8.282 ( -13.885 2.021 6.379) 15.413 9.041 ( 24.954 1.254 -1.103) 25.010 9.876 ( -11.290 1.803 -5.022) 12.487 10.294 ( -1.845 -1.851 7.099) 7.565 11.377 ( 22.952 -0.096 -0.103) 22.953 14.058 ( -6.426 0.591 -0.243) 6.458 14.969 ( -9.786 -1.431 0.969) 9.937 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 6.287 -3.818 -0.021) 7.355 3.349 ( 20.937 -2.290 5.635) 21.803 3.779 ( 2.497 -0.629 4.826) 5.470 4.171 ( 18.501 2.301 3.659) 18.999 4.977 ( 7.181 1.776 2.694) 7.872 5.653 ( -1.688 -5.138 -4.130) 6.805 6.066 ( -1.801 -2.687 -3.161) 4.523 6.288 ( -2.565 0.236 -2.946) 3.913 6.502 ( -10.796 -2.153 -2.349) 11.256 7.708 ( -5.955 -3.063 -5.021) 8.370 7.995 ( -4.462 4.627 -4.702) 7.964 8.088 ( -16.419 4.501 10.153) 19.822 9.394 ( 12.691 -4.194 -0.679) 13.384 9.783 ( 1.079 11.237 -5.186) 12.423 10.281 ( -0.666 -1.003 6.163) 6.280 11.800 ( 27.318 -3.181 -0.235) 27.503 13.940 ( -9.491 4.887 -0.152) 10.677 14.719 ( -18.080 -1.697 0.118) 18.160 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 8.463 -5.290 -0.932) 10.024 3.614 ( 4.754 2.692 5.225) 7.560 3.906 ( 19.833 -11.676 5.349) 23.628 4.527 ( 19.589 0.318 6.307) 20.582 5.165 ( 9.154 7.013 0.830) 11.562 5.554 ( -1.006 -5.378 -6.384) 8.408 5.958 ( -7.028 -4.548 -4.468) 9.489 6.146 ( -7.387 -3.651 -9.129) 12.298 6.267 ( -13.801 -1.582 -4.635) 14.645 7.673 ( 1.951 4.220 3.500) 5.819 7.822 ( -13.755 -3.244 7.793) 16.139 8.049 ( -3.270 10.534 1.537) 11.137 9.351 ( -3.513 -7.035 -6.037) 9.913 10.054 ( 5.977 14.561 5.381) 16.634 10.303 ( 5.685 -2.133 -0.660) 6.108 12.150 ( 21.864 -12.192 0.254) 25.035 13.897 ( -4.371 13.646 -1.383) 14.396 14.364 ( -22.580 0.397 0.187) 22.584 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( 9.375 -6.308 -3.050) 11.704 3.639 ( -4.388 1.754 6.996) 8.443 4.145 ( 21.609 -20.013 3.475) 29.657 4.820 ( 13.731 -5.037 7.993) 16.667 5.366 ( 2.805 5.116 -0.070) 5.835 5.536 ( 5.999 2.995 -6.946) 9.655 5.706 ( -11.695 -3.917 -5.387) 13.459 5.988 ( -7.986 0.784 -11.271) 13.836 6.048 ( -4.288 -1.530 -5.266) 6.961 7.588 ( -13.640 -1.075 9.722) 16.784 7.848 ( 7.849 6.083 5.080) 11.154 8.105 ( -2.064 6.824 3.450) 7.920 9.204 ( -3.189 -4.256 -7.078) 8.853 10.077 ( -11.000 -1.537 7.830) 13.589 10.480 ( 9.735 5.821 -3.302) 11.813 12.270 ( 11.660 -21.012 0.825) 24.045 13.942 ( -11.709 3.666 -2.965) 12.623 14.159 ( -2.208 22.740 0.869) 22.863 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( 6.663 -8.142 -5.065) 11.676 3.589 ( -4.189 -0.210 7.150) 8.289 4.221 ( 12.698 -24.085 1.233) 27.255 4.850 ( -6.015 -11.938 6.908) 15.047 5.305 ( -4.100 0.772 -4.574) 6.191 5.581 ( 1.141 0.168 -4.938) 5.070 5.754 ( 6.678 10.745 -3.561) 13.143 5.961 ( 5.171 9.411 -6.019) 12.310 6.016 ( 1.534 0.813 -3.312) 3.740 7.412 ( -9.574 -1.208 8.313) 12.736 8.036 ( 5.236 5.447 3.193) 8.202 8.088 ( -5.713 -0.845 2.320) 6.224 9.179 ( 4.650 1.695 -2.486) 5.538 9.788 ( -18.289 -8.409 2.600) 20.297 10.633 ( 3.301 5.007 -0.630) 6.031 12.135 ( -1.754 -24.993 0.392) 25.058 13.812 ( -4.968 7.440 -0.266) 8.951 14.483 ( 8.340 24.323 -1.403) 25.752 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 0.000 -2.898 0.401) 2.926 2.993 ( 0.000 -6.523 7.516) 9.952 3.776 ( -0.000 -0.276 -0.752) 0.801 3.819 ( 0.000 5.520 8.490) 10.127 4.851 ( 0.000 1.735 2.648) 3.166 5.680 ( -0.000 -6.035 -3.310) 6.883 6.108 ( 0.000 0.107 1.565) 1.569 6.277 ( 0.000 1.368 0.030) 1.368 6.689 ( -0.000 -3.213 -3.344) 4.637 7.814 ( -0.000 -2.263 -6.579) 6.957 8.216 ( -0.000 -2.096 -4.925) 5.353 8.553 ( -0.000 6.521 -2.592) 7.017 8.741 ( 0.000 3.884 3.853) 5.471 10.025 ( -0.000 6.220 -4.850) 7.887 10.327 ( 0.000 -0.786 8.745) 8.780 11.153 ( -0.000 -0.333 -0.214) 0.396 14.128 ( 0.000 2.399 0.005) 2.399 15.035 ( 0.000 -2.245 0.289) 2.264 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 6.934 -5.131 -1.800) 8.812 3.015 ( 11.712 -8.742 8.148) 16.733 3.782 ( 0.749 -1.109 2.174) 2.553 3.980 ( 9.313 4.510 9.953) 14.357 4.933 ( 3.879 7.507 0.113) 8.451 5.582 ( -0.452 -10.160 -4.995) 11.331 6.082 ( -3.268 -0.768 -0.344) 3.375 6.304 ( 0.385 0.601 -0.943) 1.183 6.591 ( -4.956 -5.254 -2.437) 7.622 7.732 ( -3.568 -3.923 -6.219) 8.173 8.099 ( -6.767 -1.174 -5.554) 8.832 8.428 ( -13.430 8.692 5.383) 16.879 9.087 ( 21.329 3.897 0.079) 21.682 9.961 ( -10.634 10.043 -5.218) 15.530 10.340 ( -2.037 1.426 8.756) 9.102 11.357 ( 21.394 -1.751 -0.261) 21.467 14.112 ( -5.155 4.754 -0.598) 7.038 14.931 ( -9.519 -2.422 0.312) 9.827 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 6.776 -8.012 -0.421) 10.502 3.269 ( 24.124 -10.054 4.324) 26.491 3.776 ( -0.733 -3.008 4.723) 5.647 4.260 ( 15.805 1.524 10.603) 19.093 5.117 ( 7.000 11.981 -2.117) 14.036 5.453 ( 0.651 -11.661 -6.256) 13.249 5.992 ( -4.928 -2.266 -3.163) 6.279 6.204 ( -7.473 -6.634 -6.838) 12.108 6.434 ( -9.452 -1.958 -2.965) 10.097 7.655 ( 1.170 -0.499 -0.393) 1.331 7.972 ( -6.139 -2.733 -0.349) 6.729 8.332 ( -12.351 12.153 7.194) 18.761 9.324 ( 2.736 -1.338 -1.150) 3.255 10.017 ( 8.098 15.414 -6.878) 18.721 10.339 ( -4.390 2.497 9.259) 10.547 11.693 ( 21.518 -7.328 0.095) 22.732 14.081 ( -4.729 9.217 -2.947) 10.770 14.695 ( -16.515 -0.366 1.590) 16.595 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 9.035 -9.032 -1.640) 12.880 3.576 ( 24.571 -16.540 2.077) 29.692 3.727 ( -2.900 -4.056 6.118) 7.892 4.562 ( 15.727 -3.193 10.505) 19.180 5.328 ( 4.630 -0.252 -2.418) 5.230 5.412 ( 8.899 5.504 -7.260) 12.736 5.824 ( -10.378 -6.263 -4.108) 12.799 5.992 ( -4.336 -4.505 -10.317) 12.064 6.202 ( -12.927 -0.974 -6.403) 14.458 7.741 ( 1.651 -2.002 5.106) 5.728 7.851 ( -3.378 3.072 5.841) 7.414 8.301 ( -8.859 11.899 6.974) 16.393 9.240 ( -6.448 -0.716 -4.356) 7.814 10.255 ( -5.036 -1.896 2.050) 5.759 10.372 ( 8.921 15.039 1.292) 17.534 11.884 ( 13.843 -14.674 0.884) 20.193 14.096 ( -4.332 5.928 -6.351) 9.708 14.477 ( -12.227 12.514 3.621) 17.867 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 9.312 -9.689 -3.905) 13.994 3.606 ( 2.464 -17.350 4.969) 18.214 3.786 ( 12.014 -10.720 1.767) 16.198 4.743 ( 8.002 -8.635 7.653) 14.042 5.325 ( 1.445 -6.072 -4.518) 7.705 5.571 ( -6.784 -3.772 -2.462) 8.144 5.698 ( 11.431 12.453 -8.005) 18.704 5.913 ( 0.584 0.867 -10.944) 10.994 6.046 ( -3.064 3.700 -1.762) 5.117 7.610 ( -10.220 -2.950 9.841) 14.491 7.994 ( 5.792 4.618 1.413) 7.541 8.267 ( -10.123 6.657 8.027) 14.533 9.159 ( -1.442 2.486 -1.958) 3.478 10.043 ( -16.449 -3.112 3.024) 17.012 10.623 ( 5.244 9.296 -1.179) 10.738 11.884 ( 5.224 -19.420 0.827) 20.128 13.972 ( -8.073 1.637 -2.095) 8.499 14.617 ( 2.728 23.491 -1.039) 23.672 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -0.000 -6.859 -0.971) 6.927 2.857 ( 0.000 -12.262 6.460) 13.860 3.744 ( 0.000 -2.943 0.232) 2.953 4.003 ( 0.000 4.097 14.844) 15.398 4.995 ( -0.000 12.729 -2.416) 12.956 5.446 ( -0.000 -14.844 -5.664) 15.888 6.131 ( 0.000 1.080 2.387) 2.620 6.289 ( -0.000 -1.730 -2.175) 2.779 6.564 ( -0.000 -5.505 -0.998) 5.594 7.706 ( -0.000 -4.017 -5.772) 7.032 8.110 ( -0.000 -5.154 -6.085) 7.974 8.696 ( -0.000 9.331 -2.370) 9.627 8.902 ( 0.000 9.787 4.358) 10.713 10.171 ( -0.000 11.774 -4.630) 12.652 10.416 ( 0.000 3.681 10.629) 11.248 11.142 ( -0.000 -0.520 -0.422) 0.670 14.191 ( -0.000 4.169 -2.214) 4.720 14.990 ( 0.000 -2.455 1.705) 2.989 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 5.376 -10.002 -1.305) 11.430 2.841 ( 13.513 -13.836 4.718) 19.907 3.737 ( 2.260 -4.525 1.434) 5.257 4.128 ( 6.609 0.041 14.938) 16.335 5.154 ( 3.468 16.277 -4.670) 17.286 5.277 ( 1.167 -17.004 -5.542) 17.923 6.084 ( -6.701 1.065 0.962) 6.852 6.201 ( -3.912 -9.916 -5.685) 12.081 6.522 ( -3.078 0.424 -0.239) 3.117 7.634 ( -0.919 -2.863 -2.562) 3.950 8.005 ( -2.934 -4.994 -3.952) 7.012 8.655 ( -10.268 11.410 2.772) 15.598 9.194 ( 13.542 7.155 0.216) 15.317 10.165 ( -8.811 14.233 -5.671) 17.674 10.477 ( -2.663 6.296 11.043) 12.987 11.313 ( 17.489 -2.487 -0.199) 17.666 14.195 ( -2.420 4.633 -5.623) 7.677 14.909 ( -8.407 -0.462 4.503) 9.548 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 7.640 -12.654 -0.349) 14.785 3.019 ( 21.862 -17.496 0.644) 28.008 3.718 ( 0.608 -5.987 3.271) 6.849 4.316 ( 13.208 -5.859 11.896) 18.716 5.149 ( 4.648 -15.354 -2.130) 16.183 5.380 ( 6.320 16.865 -8.260) 19.814 5.937 ( -10.854 -5.268 -1.725) 12.188 5.997 ( -5.096 -4.147 -5.762) 8.740 6.382 ( -12.128 -0.778 -6.111) 13.603 7.671 ( 5.658 0.192 3.669) 6.746 7.916 ( -2.017 -2.652 1.243) 3.557 8.615 ( -10.293 12.234 5.891) 17.039 9.336 ( -2.584 3.488 -1.857) 4.722 10.236 ( 2.972 11.872 -6.254) 13.744 10.527 ( -4.048 10.158 10.203) 14.956 11.543 ( 14.292 -7.989 0.489) 16.381 14.170 ( -2.614 2.671 -9.241) 9.968 14.785 ( -10.437 7.691 6.793) 14.636 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 10.244 -12.953 -1.997) 16.634 3.152 ( 17.476 -25.631 -0.770) 31.031 3.690 ( 1.895 -5.042 3.766) 6.572 4.494 ( 13.425 -11.624 6.528) 18.920 5.132 ( 8.518 -11.714 1.410) 14.552 5.573 ( 4.277 1.316 -13.687) 14.400 5.720 ( -7.854 5.610 0.161) 9.653 5.921 ( -1.469 4.612 -5.082) 7.018 6.158 ( -8.984 0.698 -4.917) 10.265 7.706 ( -2.342 -4.516 5.951) 7.829 7.956 ( 4.186 3.493 2.346) 5.935 8.572 ( -11.571 10.324 8.678) 17.771 9.263 ( -6.908 4.884 -1.821) 8.654 10.259 ( -8.881 2.413 0.336) 9.209 10.662 ( 2.395 13.660 2.288) 14.056 11.623 ( 7.335 -12.893 0.886) 14.860 14.071 ( -5.537 -2.292 -5.681) 8.257 14.824 ( -2.277 18.896 2.053) 19.143 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -0.000 -11.571 -2.497) 11.837 2.610 ( 0.000 -17.260 4.219) 17.769 3.666 ( 0.000 -5.625 1.015) 5.716 4.094 ( 0.000 -7.498 13.688) 15.607 5.073 ( -0.000 -19.197 -2.879) 19.411 5.275 ( -0.000 18.429 -7.204) 19.788 6.106 ( -0.000 -11.827 -5.452) 13.023 6.185 ( 0.000 2.551 3.133) 4.040 6.571 ( 0.000 4.790 1.350) 4.977 7.603 ( -0.000 -3.422 -2.278) 4.111 7.947 ( -0.000 -7.395 -5.453) 9.188 8.860 ( -0.000 9.159 -2.853) 9.594 9.157 ( 0.000 13.439 3.209) 13.817 10.389 ( -0.000 13.395 -4.066) 13.998 10.619 ( 0.000 9.751 11.437) 15.030 11.131 ( -0.000 -0.269 -0.361) 0.451 14.216 ( -0.000 1.342 -9.374) 9.470 14.999 ( 0.000 0.819 8.476) 8.516 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 4.845 -17.283 0.515) 17.957 2.551 ( 13.288 -17.074 -1.559) 21.691 3.630 ( 1.990 -7.716 1.565) 8.121 4.072 ( 7.814 -16.708 8.419) 20.275 4.917 ( 3.297 -17.865 2.233) 18.303 5.436 ( 2.286 14.901 -10.257) 18.234 5.961 ( -3.351 -6.751 -3.513) 8.316 6.141 ( -8.619 3.430 2.674) 9.654 6.553 ( -9.274 3.523 -4.485) 10.887 7.599 ( 3.615 -0.832 2.575) 4.516 7.877 ( 1.733 -5.342 -2.094) 5.994 8.876 ( -6.192 9.729 0.720) 11.555 9.359 ( 4.883 9.936 -0.419) 11.079 10.408 ( -8.154 14.041 -3.795) 16.675 10.727 ( -3.217 11.819 10.573) 16.181 11.266 ( 12.711 -2.131 0.047) 12.889 14.170 ( -1.019 -1.197 -12.265) 12.366 15.007 ( -5.218 5.294 10.832) 13.137 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 10.020 -18.691 -0.231) 21.208 2.622 ( 16.668 -22.198 -3.446) 27.972 3.585 ( 3.052 -9.900 1.873) 10.528 4.109 ( 15.545 -20.826 2.649) 26.123 4.863 ( 8.567 -16.743 6.030) 19.751 5.501 ( 0.088 0.315 -11.670) 11.675 5.921 ( -3.118 11.854 0.634) 12.274 6.029 ( -8.540 4.976 0.614) 9.904 6.329 ( -13.914 0.613 -7.724) 15.926 7.670 ( 2.980 -3.273 3.786) 5.825 7.919 ( 5.018 1.655 2.316) 5.769 8.858 ( -8.093 8.938 4.663) 12.928 9.426 ( -5.288 6.983 -1.994) 8.983 10.422 ( -5.257 10.936 -1.752) 12.260 10.823 ( -3.079 13.766 6.866) 15.688 11.405 ( 7.930 -6.561 0.566) 10.308 14.078 ( -2.403 -4.496 -9.457) 10.743 15.044 ( -3.501 13.028 6.650) 15.040 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 0.000 -22.368 0.488) 22.373 2.266 ( -0.000 -17.298 -4.150) 17.789 3.543 ( 0.000 -7.901 1.502) 8.043 3.791 ( 0.000 -29.974 2.718) 30.097 4.723 ( 0.000 -19.879 6.227) 20.831 5.493 ( -0.000 6.765 -10.798) 12.742 5.960 ( -0.000 3.994 -0.797) 4.073 6.261 ( 0.000 2.948 2.718) 4.009 6.705 ( -0.000 10.047 -5.245) 11.334 7.567 ( 0.000 -0.386 3.646) 3.666 7.778 ( -0.000 -6.672 -2.605) 7.163 8.996 ( -0.000 6.424 -2.197) 6.789 9.435 ( 0.000 13.574 0.606) 13.588 10.622 ( -0.000 12.864 -1.807) 12.990 10.923 ( 0.000 13.973 9.234) 16.748 11.132 ( 0.000 0.555 0.262) 0.614 14.107 ( -0.000 -3.909 -14.286) 14.811 15.138 ( 0.000 5.183 13.815) 14.755 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 6.631 -25.242 -1.019) 26.118 2.175 ( 11.046 -19.996 -5.062) 23.398 3.419 ( 0.809 -20.384 0.214) 20.402 3.636 ( 13.350 -23.928 0.704) 27.409 4.575 ( 5.067 -23.382 6.174) 24.708 5.486 ( -1.008 0.696 -7.166) 7.270 6.045 ( 0.561 12.162 0.148) 12.176 6.235 ( -6.703 3.821 2.598) 8.141 6.615 ( -17.760 9.505 -10.060) 22.516 7.605 ( 2.191 -1.806 3.841) 4.777 7.818 ( 9.076 0.182 2.098) 9.317 9.022 ( -2.541 4.977 0.195) 5.591 9.553 ( -1.399 10.478 -1.583) 10.689 10.653 ( -7.897 13.181 -1.183) 15.411 11.041 ( -3.626 13.353 7.936) 15.951 11.241 ( 7.651 -0.231 0.621) 7.680 14.011 ( -0.343 -5.895 -12.255) 13.604 15.222 ( -1.860 8.279 11.504) 14.295 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -0.000 -27.030 -3.844) 27.302 1.840 ( -0.000 -23.741 -5.525) 24.375 3.063 ( -0.000 -44.194 -1.153) 44.209 3.389 ( 0.000 -8.965 1.558) 9.099 4.297 ( 0.000 -28.443 4.224) 28.755 5.489 ( -0.000 1.462 -3.274) 3.586 6.151 ( 0.000 10.223 1.380) 10.315 6.319 ( 0.000 1.650 0.886) 1.872 6.898 ( -0.000 18.953 -19.060) 26.879 7.640 ( 0.000 2.541 11.609) 11.884 7.674 ( 0.000 -3.590 1.303) 3.819 9.063 ( -0.000 1.249 -0.750) 1.457 9.668 ( -0.000 11.059 -2.184) 11.273 10.854 ( -0.000 11.991 -0.962) 12.030 11.158 ( 0.000 1.673 1.260) 2.094 11.254 ( 0.000 14.407 7.117) 16.069 13.910 ( -0.000 -6.564 -12.212) 13.864 15.346 ( 0.000 6.140 13.567) 14.892 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 -0.000 28.981) 28.981 0.595 ( 0.000 -0.000 28.981) 28.981 1.066 ( 0.000 -0.000 52.599) 52.599 3.014 ( -0.000 0.000 -4.288) 4.288 3.014 ( -0.000 0.000 -4.288) 4.288 5.482 ( -0.000 0.000 -8.296) 8.296 6.349 ( 0.000 -0.000 0.142) 0.142 6.349 ( 0.000 -0.000 0.142) 0.142 7.605 ( -0.000 0.000 -1.875) 1.875 7.605 ( -0.000 0.000 -1.875) 1.875 8.712 ( -0.000 0.000 -4.732) 4.732 10.006 ( 0.000 -0.000 2.257) 2.257 10.006 ( 0.000 -0.000 2.257) 2.257 10.717 ( 0.000 -0.000 2.754) 2.754 11.245 ( -0.000 0.000 -1.049) 1.049 11.245 ( -0.000 0.000 -1.049) 1.049 11.829 ( 0.000 -0.000 0.793) 0.793 15.885 ( -0.000 0.000 -0.654) 0.654 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 18.368 10.605 19.197) 28.607 0.942 ( 13.309 7.684 26.846) 30.934 1.646 ( 33.850 19.543 34.505) 52.137 3.057 ( 4.636 2.677 -4.412) 6.937 3.188 ( 16.637 9.606 -4.801) 19.802 5.438 ( -0.978 -0.565 -9.548) 9.614 6.283 ( -4.191 -2.420 -0.899) 4.922 6.332 ( -0.903 -0.521 -0.406) 1.118 7.267 ( -25.444 -14.690 -0.859) 29.393 7.652 ( 2.883 1.665 -0.469) 3.362 8.671 ( -17.095 -9.870 12.798) 23.525 8.917 ( -8.941 -5.162 13.329) 16.860 9.930 ( -5.720 -3.302 1.025) 6.683 11.153 ( -5.560 -3.210 -3.517) 7.320 11.252 ( -0.065 -0.038 -0.329) 0.338 11.434 ( 1.628 0.940 -19.616) 19.706 12.844 ( 55.159 31.846 -22.345) 67.499 15.746 ( -7.381 -4.261 1.649) 8.681 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 18.799 10.853 18.901) 28.783 1.398 ( 22.238 12.839 11.686) 28.213 2.566 ( 38.468 22.209 20.872) 49.078 3.175 ( 6.930 4.001 -4.510) 9.185 3.658 ( 25.566 14.760 -4.404) 29.847 5.388 ( -0.457 -0.264 -9.290) 9.305 6.203 ( -1.965 -1.134 -4.166) 4.743 6.310 ( -0.830 -0.479 -1.139) 1.488 6.675 ( -25.228 -14.565 -3.180) 29.304 7.725 ( 3.404 1.965 1.460) 4.193 8.366 ( -12.970 -7.488 15.628) 21.645 8.934 ( 0.244 0.141 -5.547) 5.555 9.768 ( -8.685 -5.014 -0.530) 10.043 10.970 ( -9.427 -5.443 -4.086) 11.628 11.240 ( -0.988 -0.571 0.379) 1.202 11.326 ( -4.626 -2.671 -12.362) 13.467 13.556 ( 18.575 10.724 -2.569) 21.602 15.637 ( -2.727 -1.574 -2.515) 4.030 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 22.117 12.769 11.427) 27.978 1.909 ( 20.438 11.800 8.410) 25.053 3.317 ( 6.868 3.965 -4.689) 9.213 3.425 ( 33.147 19.137 10.676) 39.736 4.232 ( 26.277 15.171 -2.584) 30.452 5.372 ( 1.599 0.923 -5.468) 5.771 6.154 ( -7.394 -4.269 -9.664) 12.895 6.197 ( -9.805 -5.661 2.184) 11.531 6.291 ( -0.407 -0.235 -1.836) 1.895 7.805 ( 2.909 1.679 3.585) 4.913 8.140 ( -12.147 -7.013 10.879) 17.751 8.822 ( -8.070 -4.659 -10.012) 13.677 9.556 ( -9.776 -5.644 -2.149) 11.491 10.724 ( -11.220 -6.478 -4.111) 13.593 11.176 ( -5.654 -3.264 -7.364) 9.841 11.214 ( -1.527 -0.882 0.848) 1.957 13.815 ( 6.225 3.594 6.159) 9.466 15.579 ( -2.219 -1.281 -3.452) 4.299 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 16.710 9.648 6.690) 20.422 2.415 ( 22.958 13.255 6.160) 27.216 3.437 ( 5.200 3.002 -4.707) 7.630 4.055 ( 21.544 12.439 -2.918) 25.048 4.774 ( 21.978 12.689 3.986) 25.689 5.406 ( 1.194 0.690 -1.885) 2.336 5.922 ( -3.556 -2.053 4.955) 6.435 6.201 ( 3.038 1.754 -4.823) 5.964 6.278 ( -0.169 -0.098 -2.208) 2.216 7.873 ( 1.863 1.076 5.106) 5.541 7.884 ( -13.515 -7.803 5.715) 16.619 8.530 ( -14.255 -8.230 -10.931) 19.759 9.334 ( -9.132 -5.272 -3.297) 11.048 10.459 ( -11.203 -6.468 -3.757) 13.471 11.032 ( -5.598 -3.232 -3.982) 7.592 11.183 ( -1.404 -0.811 0.954) 1.881 13.927 ( 2.748 1.586 5.996) 6.784 15.502 ( -3.960 -2.286 -1.935) 4.966 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 12.076 6.972 5.002) 14.814 2.934 ( 22.477 12.977 2.112) 26.040 3.515 ( 3.235 1.868 -3.937) 5.427 4.342 ( 7.101 4.100 -14.966) 17.065 5.174 ( 9.404 5.430 7.343) 13.109 5.449 ( 6.470 3.735 6.777) 10.087 6.021 ( 6.641 3.834 9.007) 11.829 6.266 ( -0.356 -0.205 -2.184) 2.223 6.279 ( 5.332 3.079 -4.596) 7.684 7.590 ( -12.981 -7.495 -1.216) 15.039 7.922 ( 1.126 0.650 5.352) 5.508 8.167 ( -14.831 -8.563 -5.080) 17.863 9.137 ( -7.512 -4.337 -3.505) 9.356 10.215 ( -9.428 -5.443 -3.352) 11.391 10.902 ( -5.173 -2.986 -2.484) 6.469 11.161 ( -0.773 -0.446 0.759) 1.172 13.993 ( 2.056 1.187 3.316) 4.078 15.394 ( -5.281 -3.049 -0.480) 6.117 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 6.535 3.773 2.165) 7.850 3.420 ( 21.139 12.205 -1.626) 24.464 3.563 ( 2.291 1.323 -1.569) 3.076 4.291 ( -5.420 -3.129 -19.713) 20.683 5.300 ( 3.041 1.756 6.568) 7.448 5.698 ( 8.339 4.814 12.795) 16.013 6.123 ( -0.590 -0.341 0.197) 0.709 6.248 ( -0.557 -0.321 -2.100) 2.196 6.396 ( 5.926 3.421 -3.543) 7.706 7.371 ( -4.683 -2.704 -0.378) 5.420 7.886 ( -9.663 -5.579 5.107) 12.271 7.960 ( 0.762 0.440 4.755) 4.836 8.984 ( -5.161 -2.979 -3.061) 6.699 10.031 ( -6.020 -3.475 -2.873) 7.521 10.790 ( -4.084 -2.358 -2.614) 5.392 11.153 ( -0.214 -0.123 0.466) 0.528 14.044 ( 1.897 1.095 0.991) 2.405 15.275 ( -5.134 -2.964 -0.034) 5.928 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 0.461 0.266 -1.386) 1.484 3.615 ( 2.361 1.363 1.782) 3.257 3.834 ( 14.490 8.366 -8.904) 18.954 4.043 ( -7.750 -4.475 -14.989) 17.457 5.335 ( -2.607 -1.505 1.738) 3.476 5.774 ( -4.791 -2.766 -0.320) 5.541 6.082 ( 0.758 0.438 1.169) 1.461 6.230 ( -0.375 -0.216 -2.283) 2.323 6.500 ( 3.762 2.172 -1.480) 4.590 7.368 ( 1.177 0.680 6.968) 7.099 7.816 ( 1.258 0.726 14.785) 14.856 7.985 ( 0.033 0.019 4.311) 4.311 8.896 ( -1.655 -0.955 -2.680) 3.291 9.939 ( -1.379 -0.796 -2.146) 2.672 10.709 ( -2.082 -1.202 -3.845) 4.534 11.151 ( -0.134 -0.078 0.220) 0.269 14.083 ( 1.372 0.792 0.070) 1.586 15.176 ( -3.466 -2.001 -0.845) 4.090 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( -4.496 -2.596 -3.125) 6.060 3.627 ( -15.165 -8.755 -16.980) 24.391 3.671 ( 1.532 0.885 3.518) 3.938 4.234 ( 13.998 8.082 -7.616) 17.867 5.192 ( -7.482 -4.320 -6.825) 11.010 5.606 ( -7.907 -4.565 -4.203) 10.052 6.129 ( 0.343 0.198 6.296) 6.308 6.219 ( 0.217 0.125 -2.678) 2.690 6.538 ( -0.101 -0.059 0.336) 0.356 7.416 ( 1.053 0.608 8.654) 8.739 7.984 ( -1.510 -0.872 4.237) 4.582 8.024 ( 10.789 6.229 19.763) 23.362 8.900 ( 2.889 1.668 -2.502) 4.170 9.960 ( 3.785 2.185 -0.974) 4.477 10.677 ( 0.722 0.417 -5.552) 5.614 11.146 ( -0.356 -0.206 0.034) 0.413 14.102 ( 0.104 0.060 0.871) 0.879 15.123 ( -0.654 -0.377 -2.937) 3.032 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -8.340 -4.815 -2.649) 9.988 3.207 ( -17.951 -10.364 -12.770) 24.346 3.694 ( -0.670 -0.387 3.243) 3.334 4.425 ( 4.587 2.648 -10.661) 11.904 5.063 ( -1.051 -0.607 -4.475) 4.636 5.398 ( -9.194 -5.308 -4.848) 11.671 6.095 ( -5.925 -3.421 8.422) 10.851 6.224 ( 1.124 0.649 -2.997) 3.266 6.523 ( -0.654 -0.378 1.385) 1.578 7.480 ( 2.240 1.293 6.971) 7.436 7.943 ( -3.491 -2.016 3.919) 5.623 8.365 ( 13.414 7.744 17.817) 23.608 9.007 ( 7.299 4.214 -2.030) 8.670 10.097 ( 8.491 4.902 0.726) 9.831 10.709 ( 4.087 2.360 -7.043) 8.478 11.137 ( -0.403 -0.233 -0.138) 0.486 14.090 ( -1.764 -1.018 3.231) 3.820 15.129 ( 2.495 1.440 -5.992) 6.649 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -12.056 -6.961 -0.802) 13.944 2.750 ( -20.119 -11.616 -8.089) 24.599 3.656 ( -3.544 -2.046 1.892) 4.508 4.309 ( -12.919 -7.459 -8.068) 16.960 5.064 ( -4.171 -2.408 -0.710) 4.868 5.247 ( 2.025 1.169 -4.975) 5.498 5.957 ( -7.089 -4.093 8.488) 11.792 6.249 ( 1.914 1.105 -2.874) 3.626 6.539 ( 1.383 0.798 4.398) 4.679 7.553 ( 2.856 1.649 1.785) 3.750 7.860 ( -4.751 -2.743 2.763) 6.142 8.704 ( 11.989 6.922 12.266) 18.496 9.199 ( 10.115 5.840 -0.899) 11.714 10.329 ( 11.483 6.630 2.404) 13.476 10.815 ( 7.818 4.513 -7.627) 11.818 11.131 ( 0.005 0.003 -0.381) 0.381 14.047 ( -3.541 -2.044 6.616) 7.777 15.187 ( 4.810 2.777 -9.325) 10.853 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -16.184 -9.344 1.940) 18.788 2.264 ( -22.092 -12.755 -2.719) 25.654 3.550 ( -6.244 -3.605 0.148) 7.212 3.817 ( -28.633 -16.532 -3.197) 33.217 4.792 ( -17.273 -9.972 -6.828) 21.081 5.399 ( 5.921 3.419 7.545) 10.182 5.945 ( 5.896 3.404 2.035) 7.106 6.285 ( 1.999 1.154 -2.076) 3.105 6.627 ( 5.120 2.956 10.131) 11.730 7.612 ( 2.853 1.647 -5.372) 6.302 7.761 ( -4.505 -2.601 0.777) 5.260 8.955 ( 7.512 4.337 5.967) 10.528 9.434 ( 10.795 6.232 0.697) 12.484 10.600 ( 11.806 6.816 2.566) 13.871 11.005 ( 11.383 6.572 -7.020) 14.900 11.137 ( 0.749 0.433 -0.776) 1.162 13.983 ( -4.646 -2.682 10.388) 11.691 15.269 ( 5.571 3.216 -12.280) 13.863 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.000 23.560 21.443) 31.857 1.079 ( 0.000 22.222 21.405) 30.854 1.667 ( 0.000 25.835 38.167) 46.089 3.022 ( -0.000 4.826 -5.796) 7.542 3.193 ( -0.000 20.154 -4.303) 20.609 5.410 ( -0.000 -0.059 -10.802) 10.802 6.269 ( -0.000 -4.628 -1.541) 4.878 6.355 ( 0.000 -0.272 0.143) 0.307 7.534 ( -0.000 -3.900 -4.739) 6.137 7.568 ( -0.000 -0.096 -2.464) 2.465 8.627 ( 0.000 -37.241 17.070) 40.967 8.868 ( 0.000 -12.009 9.498) 15.312 10.012 ( 0.000 -3.327 3.056) 4.517 11.164 ( -0.000 -4.152 -5.324) 6.751 11.207 ( -0.000 -1.841 -1.540) 2.400 11.385 ( -0.000 2.756 -15.923) 16.160 12.804 ( -0.000 68.855 -18.353) 71.259 15.690 ( 0.000 -16.816 2.458) 16.995 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 5.790 17.419 22.370) 28.938 1.407 ( 7.387 26.558 14.494) 31.144 2.311 ( 26.882 27.903 22.909) 45.012 3.117 ( 5.654 7.263 -5.798) 10.878 3.503 ( 12.382 24.205 -3.251) 27.382 5.372 ( -0.790 1.673 -10.793) 10.951 6.214 ( -1.432 -2.255 -2.766) 3.845 6.320 ( -2.601 -1.437 -0.721) 3.058 7.079 ( -32.522 -5.689 -2.058) 33.080 7.658 ( 4.944 -0.757 -0.557) 5.032 8.340 ( 2.039 -29.253 16.307) 33.553 8.915 ( 2.023 3.674 -4.023) 5.812 9.892 ( -8.801 -3.930 1.798) 9.805 11.027 ( -6.629 -7.255 -4.141) 10.664 11.212 ( 2.069 -2.407 -2.206) 3.866 11.313 ( -2.255 -3.464 -10.998) 11.749 13.468 ( 13.898 35.620 -6.884) 38.850 15.547 ( 2.285 -14.733 -1.228) 14.960 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 13.830 16.813 15.807) 26.904 1.855 ( 11.396 23.721 10.650) 28.390 3.075 ( 26.573 16.792 8.103) 32.462 3.306 ( 9.848 14.279 -3.322) 17.661 4.004 ( 20.377 22.186 -0.575) 30.129 5.358 ( 0.031 4.081 -8.197) 9.157 6.159 ( -2.804 -1.218 -4.139) 5.146 6.239 ( -2.856 -5.242 -1.589) 6.177 6.536 ( -24.762 -0.664 1.238) 24.802 7.728 ( 5.178 -3.376 2.380) 6.623 8.182 ( -0.595 -16.806 7.981) 18.614 8.883 ( -5.944 -0.670 -8.579) 10.458 9.689 ( -11.123 -4.010 0.531) 11.836 10.800 ( -9.240 -9.093 -3.342) 13.388 11.159 ( -1.833 -7.140 -8.382) 11.162 11.243 ( -0.604 0.782 -0.713) 1.218 13.843 ( 3.290 15.804 5.777) 17.146 15.476 ( 4.874 -11.521 -5.322) 13.594 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 17.884 15.498 9.383) 25.457 2.292 ( 11.426 21.044 8.104) 25.280 3.375 ( 6.309 5.961 -4.584) 9.816 3.815 ( 22.381 16.932 -3.971) 28.344 4.564 ( 21.894 18.099 5.370) 28.909 5.400 ( 1.205 5.426 -4.453) 7.123 5.999 ( -7.371 -4.920 1.010) 8.920 6.181 ( -0.939 0.510 0.238) 1.095 6.316 ( -5.894 1.509 0.054) 6.084 7.750 ( 2.449 -10.544 4.806) 11.844 8.050 ( -3.478 -5.119 2.099) 6.535 8.655 ( -12.933 -5.492 -11.061) 17.882 9.459 ( -11.737 -3.629 -0.642) 12.302 10.535 ( -10.213 -9.895 -2.485) 14.436 11.023 ( -2.260 -7.915 -6.116) 10.255 11.254 ( -1.519 4.833 0.279) 5.073 13.978 ( -1.753 7.232 8.561) 11.343 15.426 ( 3.745 -11.150 -4.977) 12.771 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 10.035 14.773 6.775) 19.101 2.738 ( 17.779 17.414 3.243) 25.096 3.489 ( 3.145 5.548 -4.399) 7.748 4.199 ( 12.018 9.180 -14.729) 21.110 5.074 ( 16.237 12.540 10.001) 22.823 5.437 ( 0.619 3.710 0.426) 3.786 5.986 ( 4.134 2.661 8.843) 10.118 6.187 ( 1.067 -0.842 0.851) 1.604 6.280 ( 0.556 -0.357 -1.278) 1.439 7.602 ( -5.351 -15.077 0.083) 15.999 8.006 ( -2.296 3.047 -0.196) 3.820 8.326 ( -14.103 -6.644 -6.211) 16.781 9.240 ( -10.091 -2.614 -1.825) 10.583 10.263 ( -9.502 -10.653 -1.745) 14.382 10.897 ( -2.145 -7.123 -4.486) 8.687 11.284 ( -3.692 9.935 0.449) 10.608 14.014 ( -1.840 2.435 6.149) 6.865 15.346 ( 1.603 -11.961 -2.921) 12.417 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( 4.194 12.757 3.928) 13.992 3.191 ( 18.182 12.508 -1.931) 22.153 3.576 ( 2.264 7.231 -2.019) 7.842 4.293 ( -1.271 4.608 -20.216) 20.773 5.306 ( 2.095 4.588 5.877) 7.744 5.632 ( 10.939 5.848 13.699) 18.480 6.101 ( 2.844 -0.527 1.014) 3.065 6.189 ( 0.946 -4.348 1.020) 4.565 6.326 ( 5.065 0.386 0.376) 5.093 7.371 ( -4.355 -9.279 -2.288) 10.502 7.936 ( -6.725 -3.865 -4.982) 9.219 8.126 ( -5.885 3.474 7.847) 10.405 9.073 ( -7.679 0.557 -2.394) 8.063 10.015 ( -6.175 -12.106 -1.203) 13.643 10.786 ( -2.049 -5.596 -4.224) 7.304 11.322 ( -6.452 14.938 0.495) 16.280 14.019 ( 0.323 -1.282 2.904) 3.190 15.237 ( 0.530 -12.315 -1.388) 12.404 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( -2.002 9.089 -0.334) 9.313 3.499 ( 10.617 0.844 -3.595) 11.241 3.764 ( 8.452 17.094 -1.606) 19.137 4.146 ( -11.495 3.089 -19.450) 22.803 5.373 ( -0.818 1.324 4.535) 4.795 5.802 ( -1.070 -2.430 5.605) 6.202 6.066 ( -0.632 -2.687 -2.039) 3.432 6.159 ( 3.335 -6.169 -1.194) 7.114 6.421 ( 5.755 -0.914 0.761) 5.877 7.342 ( 4.661 -1.057 7.898) 9.231 7.786 ( -3.047 -4.856 1.205) 5.858 8.151 ( -3.023 7.998 8.637) 12.153 8.983 ( -6.218 6.389 -1.789) 9.093 9.834 ( 0.211 -13.780 -0.888) 13.811 10.696 ( -1.377 -3.755 -5.042) 6.436 11.354 ( -9.249 18.298 0.504) 20.509 14.025 ( 2.817 -3.997 0.723) 4.943 15.128 ( 0.968 -11.737 -1.014) 11.821 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( -6.697 5.115 -2.937) 8.924 3.586 ( 1.909 -2.185 -4.523) 5.374 3.881 ( -15.691 6.690 -11.782) 20.731 4.099 ( 11.438 14.268 -7.033) 19.593 5.278 ( -9.155 -2.679 -5.408) 10.965 5.656 ( -5.876 -5.987 -3.656) 9.151 6.081 ( 3.299 -4.774 3.557) 6.806 6.170 ( 3.022 -3.744 1.854) 5.157 6.487 ( 3.967 -4.241 2.538) 6.337 7.454 ( 1.663 2.822 10.432) 10.934 7.791 ( 7.559 -4.355 5.641) 10.389 8.221 ( -1.594 8.442 9.714) 12.968 8.978 ( -5.195 12.945 -0.240) 13.951 9.768 ( 8.362 -13.575 -0.446) 15.950 10.639 ( 0.297 -1.985 -6.495) 6.798 11.364 ( -11.330 19.121 0.464) 22.231 14.042 ( 4.123 -5.038 0.329) 6.519 15.046 ( 2.721 -10.394 -1.926) 10.916 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( -9.932 2.382 -2.750) 10.577 3.398 ( -16.709 -1.854 -13.598) 21.623 3.763 ( -4.475 4.566 1.854) 6.656 4.351 ( 6.580 10.665 -11.292) 16.869 5.095 ( -5.467 0.286 -7.406) 9.210 5.484 ( -8.058 -5.804 -1.584) 10.056 6.090 ( 3.782 -6.936 1.441) 8.031 6.165 ( -0.177 -6.004 4.880) 7.739 6.487 ( 1.691 -6.501 3.405) 7.532 7.521 ( -0.350 4.226 7.037) 8.216 7.910 ( 5.717 -2.916 5.212) 8.267 8.352 ( 5.684 6.473 11.154) 14.093 9.051 ( -2.787 15.266 1.068) 15.555 9.855 ( 15.001 -9.182 0.853) 17.609 10.630 ( 3.131 -0.493 -8.028) 8.631 11.347 ( -11.951 17.458 0.354) 21.160 14.064 ( 3.256 -4.278 1.985) 5.731 15.012 ( 5.407 -8.500 -4.135) 10.889 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -13.047 0.449 -1.051) 13.097 3.006 ( -22.703 -1.565 -9.859) 24.801 3.732 ( -4.653 1.598 1.772) 5.229 4.403 ( -5.100 3.217 -11.472) 12.960 5.096 ( 1.925 5.074 1.025) 5.523 5.272 ( -8.416 -3.603 -5.359) 10.608 6.037 ( -5.220 -8.439 9.012) 13.404 6.128 ( 5.931 -7.776 -2.316) 10.050 6.471 ( 3.253 -7.220 4.465) 9.091 7.579 ( -0.135 5.161 2.821) 5.883 7.926 ( -2.484 -1.069 3.154) 4.154 8.599 ( 12.380 4.276 8.751) 15.752 9.179 ( 1.853 12.070 1.282) 12.278 10.080 ( 17.740 -3.025 2.618) 18.185 10.687 ( 7.011 0.874 -9.010) 11.450 11.309 ( -10.782 14.090 0.189) 17.743 14.075 ( 0.464 -2.696 5.444) 6.092 15.036 ( 8.094 -5.932 -7.276) 12.395 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -16.820 -2.416 0.490) 17.000 2.563 ( -25.344 -1.596 -3.528) 25.638 3.637 ( -7.308 -1.529 0.058) 7.467 4.140 ( -22.192 -4.047 -5.522) 23.224 4.963 ( -14.371 -4.243 -6.386) 16.289 5.349 ( 8.374 6.732 6.844) 12.738 5.918 ( -0.795 -3.955 4.941) 6.378 6.170 ( 7.702 -6.093 -3.068) 10.288 6.495 ( 7.113 -9.075 7.022) 13.500 7.622 ( -1.208 4.865 -1.919) 5.367 7.860 ( -5.300 1.328 1.026) 5.559 8.859 ( 11.161 2.655 4.174) 12.208 9.351 ( 6.840 7.649 1.243) 10.336 10.374 ( 17.254 -0.014 3.039) 17.519 10.825 ( 11.350 2.495 -8.886) 14.629 11.267 ( -8.099 10.093 -0.033) 12.941 14.060 ( -2.636 -1.895 9.613) 10.147 15.113 ( 9.210 -2.341 -10.274) 13.995 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.000 20.281 20.327) 28.714 1.635 ( 0.000 22.005 14.824) 26.532 2.458 ( 0.000 35.198 16.825) 39.013 3.117 ( -0.000 8.978 -6.345) 10.994 3.660 ( -0.000 28.689 -1.824) 28.747 5.372 ( -0.000 4.525 -10.471) 11.407 6.191 ( -0.000 -2.091 -2.872) 3.552 6.332 ( -0.000 -1.952 -0.929) 2.161 7.364 ( -0.000 -9.715 -11.425) 14.997 7.587 ( -0.000 3.495 -0.331) 3.511 8.000 ( 0.000 -33.854 21.835) 40.284 8.935 ( -0.000 6.049 -4.350) 7.451 9.908 ( 0.000 -9.189 1.418) 9.298 11.000 ( -0.000 -8.380 -5.432) 9.987 11.166 ( -0.000 -1.414 -0.679) 1.568 11.246 ( -0.000 -6.964 -9.198) 11.537 13.721 ( -0.000 38.091 -3.476) 38.249 15.345 ( -0.000 -18.777 -1.159) 18.813 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 3.391 17.828 16.681) 24.650 1.978 ( 7.826 22.440 12.470) 26.839 2.958 ( 13.867 27.430 5.595) 31.241 3.260 ( 8.144 11.908 -5.865) 15.573 4.007 ( 8.702 27.486 1.290) 28.860 5.396 ( -0.613 8.235 -8.135) 11.592 6.164 ( -0.062 -1.869 -2.036) 2.765 6.257 ( -5.019 -3.949 -1.967) 6.683 6.956 ( -24.684 -7.488 -1.519) 25.839 7.620 ( 2.535 -3.424 1.744) 4.604 7.934 ( 9.874 -18.272 7.313) 22.020 8.943 ( -3.524 1.819 -6.622) 7.718 9.774 ( -4.590 -9.190 0.816) 10.305 10.838 ( -6.645 -9.160 -3.374) 11.809 11.079 ( -2.617 -9.480 -7.128) 12.146 11.219 ( 3.387 -0.619 -1.469) 3.743 14.040 ( -0.535 24.077 5.951) 24.807 15.213 ( 5.997 -16.854 -5.453) 18.702 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 10.866 16.552 11.297) 22.797 2.377 ( 9.441 22.424 9.784) 26.224 3.310 ( 7.524 10.040 -4.403) 13.297 3.628 ( 18.050 18.228 -7.271) 26.663 4.466 ( 15.202 22.909 6.528) 28.259 5.459 ( -0.743 11.109 -4.892) 12.161 6.070 ( -7.003 -4.743 -0.600) 8.479 6.170 ( 1.070 -2.926 0.192) 3.122 6.556 ( -18.287 -1.545 5.808) 19.249 7.627 ( 3.085 -7.881 2.233) 8.753 7.939 ( 5.560 -8.731 -1.761) 10.500 8.776 ( -11.328 -4.216 -10.662) 16.117 9.599 ( -8.243 -6.217 1.529) 10.437 10.607 ( -9.418 -8.790 -1.269) 12.945 10.922 ( -0.257 -11.939 -6.786) 13.735 11.285 ( 2.924 3.953 -0.612) 4.954 14.182 ( -6.505 12.747 11.157) 18.146 15.162 ( 8.333 -15.867 -7.584) 19.461 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 14.099 13.854 6.860) 20.923 2.776 ( 8.567 23.272 6.413) 25.614 3.464 ( 4.732 6.090 -5.726) 9.606 4.026 ( 15.148 12.483 -13.808) 23.999 4.963 ( 17.050 16.702 10.587) 26.110 5.513 ( -3.581 8.867 -3.681) 10.246 5.995 ( 0.783 0.861 8.025) 8.109 6.175 ( 2.758 -4.172 2.608) 5.641 6.328 ( -10.739 -1.871 6.731) 12.812 7.554 ( -3.059 -8.307 -1.636) 9.002 7.957 ( 5.378 -4.430 -4.732) 8.422 8.460 ( -13.814 -7.067 -11.196) 19.134 9.393 ( -10.709 -3.909 1.900) 11.558 10.354 ( -11.414 -7.353 -0.250) 13.580 10.806 ( 1.372 -10.240 -5.279) 11.602 11.390 ( 2.425 9.060 -0.528) 9.394 14.170 ( -9.034 5.788 9.673) 14.446 15.110 ( 6.977 -17.356 -5.709) 19.558 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 12.111 11.055 5.503) 17.296 3.128 ( 5.881 20.987 -1.347) 21.837 3.577 ( 5.165 6.343 -3.609) 8.941 4.265 ( 6.315 10.277 -16.942) 20.798 5.346 ( 5.734 9.231 7.396) 13.145 5.559 ( 5.667 5.954 6.087) 10.229 6.089 ( 0.399 2.053 5.431) 5.819 6.188 ( -2.877 -7.653 5.857) 10.057 6.208 ( 4.608 -3.205 6.801) 8.818 7.377 ( -6.959 -4.914 -5.985) 10.411 7.957 ( -0.228 -4.322 -8.630) 9.655 8.197 ( -4.850 -4.872 -2.303) 7.250 9.215 ( -8.342 0.209 1.950) 8.569 10.085 ( -12.791 -6.783 0.616) 14.491 10.726 ( 0.607 -6.974 -4.771) 8.472 11.532 ( 0.484 15.299 -0.337) 15.310 14.079 ( -7.729 -0.070 5.858) 9.698 15.023 ( 5.526 -19.039 -3.220) 20.084 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( 0.596 11.807 3.275) 12.267 3.338 ( 7.866 5.872 -7.530) 12.372 3.789 ( 8.185 15.886 -1.330) 17.920 4.315 ( -5.984 11.836 -17.216) 21.732 5.426 ( -1.407 3.458 5.311) 6.492 5.791 ( 6.789 0.532 12.002) 13.799 6.027 ( -3.240 -4.809 -5.590) 8.054 6.085 ( -2.317 -8.057 4.363) 9.451 6.296 ( 6.243 -5.268 5.486) 9.840 7.294 ( 1.867 1.142 2.955) 3.678 7.826 ( -5.140 -2.461 -7.437) 9.369 8.177 ( 3.962 -3.469 1.612) 5.507 9.157 ( -3.947 8.077 2.600) 9.359 9.812 ( -11.642 -7.814 1.515) 14.103 10.656 ( -0.473 -4.306 -5.477) 6.983 11.681 ( -4.274 21.466 0.124) 21.887 13.970 ( -3.129 -5.665 2.426) 6.912 14.917 ( 5.342 -19.524 -1.724) 20.315 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( -7.096 6.555 -3.538) 10.288 3.504 ( 7.338 3.289 -2.449) 8.406 4.067 ( 3.815 15.078 -8.777) 17.859 4.219 ( -11.885 17.334 -10.556) 23.519 5.396 ( -7.215 -0.607 0.137) 7.241 5.682 ( -7.820 -7.497 -4.942) 11.907 6.010 ( -0.257 -6.412 4.745) 7.980 6.052 ( 7.205 -5.211 5.106) 10.253 6.350 ( 6.131 -8.548 5.297) 11.778 7.445 ( 7.442 4.058 12.292) 14.931 7.737 ( -1.523 1.174 -5.060) 5.413 8.220 ( 5.108 -4.798 0.727) 7.045 9.255 ( -2.249 19.360 4.351) 19.970 9.577 ( -5.267 -11.510 2.241) 12.855 10.593 ( -0.367 -2.871 -6.935) 7.515 11.782 ( -10.914 24.638 0.608) 26.954 13.903 ( 3.194 -8.750 0.540) 9.330 14.823 ( 6.306 -18.781 -1.452) 19.865 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -9.007 3.052 -3.469) 10.123 3.581 ( -3.816 6.306 -5.163) 8.999 3.958 ( -14.184 7.196 -7.821) 17.724 4.378 ( 2.440 19.441 -9.014) 21.567 5.202 ( -9.801 0.717 -8.040) 12.697 5.529 ( -4.237 -5.956 0.483) 7.325 5.967 ( 1.682 -7.522 2.794) 8.198 6.097 ( 3.095 -8.694 7.958) 12.186 6.362 ( 4.592 -11.499 5.997) 13.758 7.598 ( 0.261 5.454 6.653) 8.607 7.805 ( 7.240 3.333 1.940) 8.203 8.269 ( 7.465 -5.408 -0.061) 9.218 9.344 ( -10.295 10.229 3.271) 14.877 9.564 ( 11.448 2.735 5.422) 12.959 10.548 ( 1.460 -2.597 -8.603) 9.104 11.785 ( -16.013 22.211 0.673) 27.389 13.920 ( 7.475 -6.832 0.915) 10.168 14.764 ( 8.193 -17.026 -2.385) 19.045 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( -11.230 1.205 -1.777) 11.433 3.410 ( -22.671 10.203 -8.233) 26.189 3.828 ( -5.076 0.856 -0.656) 5.189 4.499 ( -3.134 12.892 -12.022) 17.904 5.133 ( -0.190 7.509 -2.570) 7.939 5.377 ( -8.549 -4.288 -0.381) 9.572 5.943 ( 3.967 -8.204 1.416) 9.222 6.036 ( -1.655 -12.085 9.324) 15.354 6.335 ( 4.003 -12.213 6.238) 14.286 7.656 ( -0.967 7.154 0.652) 7.249 7.930 ( 2.315 0.568 2.374) 3.364 8.407 ( 13.912 -2.097 0.484) 14.078 9.288 ( -1.736 -0.076 2.647) 3.166 9.866 ( 10.486 13.676 6.638) 18.467 10.545 ( 5.253 -2.620 -9.763) 11.391 11.691 ( -16.837 15.640 0.278) 22.982 14.008 ( 6.476 -2.239 3.777) 7.825 14.762 ( 11.019 -13.478 -4.554) 17.995 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -14.725 -0.216 -0.346) 14.731 3.040 ( -28.518 7.877 -3.289) 29.768 3.740 ( -5.904 -1.396 -1.131) 6.171 4.421 ( -13.555 6.126 -9.058) 17.416 5.151 ( -12.993 -1.328 -2.528) 13.303 5.314 ( 7.546 10.453 4.723) 13.730 5.897 ( -1.779 -11.744 6.316) 13.453 5.962 ( 5.975 -6.703 0.942) 9.029 6.316 ( 5.125 -11.831 6.890) 14.618 7.701 ( -2.029 6.343 -2.097) 6.982 7.926 ( -1.559 -0.215 -0.880) 1.803 8.651 ( 15.271 -0.383 -1.319) 15.333 9.315 ( 4.544 -1.047 2.448) 5.266 10.178 ( 10.377 9.518 5.323) 15.053 10.625 ( 10.402 -0.242 -9.217) 13.900 11.547 ( -14.066 8.773 -0.213) 16.579 14.084 ( 1.599 -1.132 7.633) 7.880 14.853 ( 13.582 -6.041 -6.787) 16.341 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 0.000 15.856 17.614) 23.700 2.100 ( 0.000 17.726 9.990) 20.347 3.155 ( -0.000 30.151 -1.767) 30.202 3.269 ( -0.000 10.712 -5.961) 12.259 4.214 ( 0.000 27.692 3.535) 27.917 5.479 ( -0.000 12.900 -6.211) 14.318 6.127 ( 0.000 -4.628 0.093) 4.629 6.268 ( -0.000 -3.510 -2.003) 4.041 7.002 ( -0.000 -18.186 -10.794) 21.149 7.647 ( 0.000 -15.230 11.212) 18.912 7.705 ( 0.000 7.717 3.020) 8.287 8.976 ( -0.000 1.287 -5.562) 5.709 9.681 ( -0.000 -14.176 -1.489) 14.254 10.792 ( -0.000 -9.493 -4.893) 10.680 11.011 ( -0.000 -12.066 -5.354) 13.201 11.147 ( 0.000 -0.557 0.637) 0.846 14.305 ( 0.000 21.584 9.251) 23.483 14.975 ( -0.000 -16.347 -6.942) 17.760 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 2.953 15.192 11.692) 19.396 2.421 ( 10.966 15.761 10.759) 22.010 3.338 ( 0.896 13.477 -6.160) 14.845 3.520 ( 11.851 17.901 -9.174) 23.347 4.543 ( 6.450 25.110 7.042) 26.864 5.596 ( -1.165 16.315 -3.572) 16.742 6.076 ( 0.471 -8.823 3.045) 9.346 6.164 ( -5.795 -3.817 -1.437) 7.086 6.748 ( -7.282 -11.678 -2.424) 13.974 7.541 ( -0.691 -5.254 2.742) 5.967 7.821 ( 2.160 2.692 1.174) 3.646 8.874 ( -8.891 -3.915 -8.579) 12.960 9.565 ( 2.193 -11.948 -0.868) 12.179 10.645 ( -4.941 -8.910 -2.936) 10.603 10.804 ( -4.549 -14.128 -4.103) 15.399 11.228 ( 6.860 1.587 0.018) 7.041 14.465 ( -5.955 12.386 14.638) 20.078 14.857 ( 5.857 -13.570 -10.677) 18.233 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 8.988 13.649 7.732) 18.080 2.820 ( 13.918 16.977 8.593) 23.575 3.445 ( 1.757 8.216 -7.749) 11.429 3.853 ( 14.678 12.407 -12.141) 22.733 4.934 ( 10.700 19.622 9.138) 24.146 5.697 ( -5.366 15.409 -3.869) 16.769 5.993 ( 1.152 -9.719 8.902) 13.230 6.085 ( 0.219 -3.914 3.163) 5.037 6.534 ( -10.253 -4.099 4.556) 11.945 7.518 ( 0.767 -1.664 -3.948) 4.353 7.840 ( -0.061 -0.320 -2.802) 2.821 8.578 ( -13.803 -8.262 -11.955) 20.043 9.475 ( -3.204 -7.202 0.924) 7.936 10.453 ( -7.855 -7.060 -0.990) 10.608 10.632 ( 2.350 -13.824 -3.212) 14.385 11.383 ( 7.107 6.617 -0.617) 9.730 14.450 ( -10.955 5.220 13.788) 18.368 14.799 ( 6.308 -14.549 -9.406) 18.437 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 11.459 10.793 4.785) 16.453 3.242 ( 10.184 21.041 4.569) 23.818 3.506 ( 4.038 2.777 -7.838) 9.244 4.159 ( 13.045 10.955 -11.893) 20.776 5.306 ( 11.365 11.494 8.902) 18.454 5.680 ( -7.929 9.868 -1.834) 12.791 5.994 ( 6.738 -16.362 11.864) 21.304 6.119 ( 1.786 3.874 6.813) 8.038 6.354 ( -10.596 -0.914 6.759) 12.601 7.461 ( -6.236 2.243 -8.680) 10.920 7.818 ( 3.043 -5.611 -6.609) 9.188 8.248 ( -10.323 -7.341 -9.601) 15.895 9.343 ( -6.364 -2.363 2.907) 7.385 10.237 ( -10.426 -5.726 -1.205) 11.956 10.588 ( 5.391 -9.015 -1.883) 10.671 11.592 ( 7.366 12.540 -0.927) 14.573 14.310 ( -14.202 1.752 9.200) 17.012 14.710 ( 5.846 -19.642 -5.640) 21.255 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 11.610 7.809 2.718) 14.254 3.404 ( -4.626 8.059 -6.500) 11.340 3.759 ( 14.342 16.128 -0.234) 21.584 4.400 ( 5.904 13.365 -11.522) 18.607 5.518 ( -0.385 3.787 5.086) 6.353 5.700 ( 4.198 3.821 6.007) 8.265 5.959 ( 3.724 -16.110 6.650) 17.822 6.142 ( -7.333 -0.296 4.644) 8.685 6.238 ( -3.051 -1.583 6.588) 7.431 7.346 ( -5.253 4.602 -4.374) 8.241 7.784 ( 2.799 -6.106 -9.824) 11.901 8.074 ( -0.887 -5.513 -4.242) 7.013 9.283 ( -2.971 4.510 5.489) 7.700 9.991 ( -12.606 -4.389 -0.945) 13.382 10.588 ( 2.461 -4.230 -2.649) 5.565 11.858 ( 6.277 19.008 -0.704) 20.030 14.085 ( -14.316 -2.937 4.799) 15.381 14.592 ( 6.846 -23.234 -2.816) 24.385 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.343 ( -5.510 3.277 -6.704) 9.276 3.397 ( 9.588 5.838 1.787) 11.367 4.131 ( 8.094 20.907 -4.665) 22.899 4.516 ( -5.274 17.597 -10.403) 21.111 5.490 ( -4.313 -0.948 5.536) 7.081 5.744 ( -7.708 -8.256 -3.160) 11.729 5.884 ( 6.132 -6.540 1.442) 9.080 6.012 ( -4.348 -5.405 10.140) 12.285 6.205 ( 1.564 -7.355 4.716) 8.876 7.413 ( 5.464 6.079 7.793) 11.294 7.745 ( 0.725 -0.100 -9.790) 9.817 8.037 ( 4.950 -8.352 -4.319) 10.625 9.362 ( 1.333 6.989 8.693) 11.233 9.752 ( -12.205 1.149 -1.028) 12.302 10.560 ( -0.907 -1.926 -4.461) 4.943 12.129 ( -0.274 24.821 0.051) 24.823 13.844 ( -7.901 -8.355 1.660) 11.619 14.483 ( 8.444 -24.130 -1.455) 25.606 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( -7.283 2.405 -3.764) 8.544 3.587 ( 6.779 4.558 -0.671) 8.196 4.284 ( -12.033 16.632 -11.764) 23.660 4.574 ( -3.783 21.909 -5.894) 23.001 5.370 ( -11.220 0.398 -4.220) 11.994 5.521 ( -3.030 -6.539 -1.031) 7.280 5.902 ( 1.698 -8.950 5.655) 10.722 5.972 ( 2.494 -8.592 10.205) 13.571 6.180 ( 4.338 -12.049 5.772) 14.047 7.626 ( 6.655 5.754 10.220) 13.484 7.764 ( 2.940 5.782 -6.650) 9.289 8.033 ( 7.966 -10.629 -6.494) 14.785 9.373 ( -3.748 -8.796 6.879) 11.779 9.744 ( -0.913 21.835 3.041) 22.064 10.494 ( -2.009 -2.622 -6.589) 7.370 12.265 ( -13.248 23.939 0.672) 27.369 13.733 ( 4.902 -7.632 0.432) 9.080 14.407 ( 10.391 -22.972 -1.267) 25.244 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -9.341 2.152 -1.191) 9.659 3.698 ( 0.904 5.504 -2.476) 6.103 4.055 ( -23.132 9.084 -8.294) 26.200 4.687 ( -5.333 17.822 -9.299) 20.797 5.238 ( -4.732 8.002 -4.473) 10.316 5.443 ( -3.152 -3.637 2.432) 5.392 5.848 ( 0.485 -9.088 5.994) 10.898 5.945 ( 1.637 -11.645 10.066) 15.479 6.153 ( 4.871 -13.201 6.051) 15.317 7.740 ( -0.121 7.590 -0.768) 7.630 7.887 ( 3.926 -0.182 -0.042) 3.931 8.112 ( 15.282 -4.486 -4.861) 16.652 9.244 ( -1.541 -9.294 4.570) 10.471 10.018 ( 2.708 23.954 6.547) 24.980 10.410 ( 0.714 -6.132 -8.780) 10.733 12.151 ( -20.961 13.751 0.183) 25.070 13.858 ( 11.226 0.949 2.202) 11.479 14.391 ( 13.257 -18.902 -2.252) 23.197 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( -12.272 2.070 0.814) 12.472 3.604 ( -27.781 11.432 -3.252) 30.217 3.777 ( -3.181 -3.896 -3.973) 6.410 4.663 ( -9.943 10.602 -9.433) 17.327 5.320 ( -5.423 1.367 -1.083) 5.696 5.354 ( 0.592 12.020 4.411) 12.817 5.778 ( 0.946 -12.747 5.015) 13.730 5.892 ( 0.154 -6.510 9.152) 11.232 6.141 ( 5.285 -10.841 5.833) 13.398 7.780 ( -2.038 2.834 -2.603) 4.354 7.903 ( 2.607 -0.387 -4.495) 5.211 8.359 ( 16.533 -1.006 -4.479) 17.158 9.200 ( 3.830 -6.331 3.562) 8.212 10.237 ( -1.525 7.962 4.464) 9.255 10.420 ( 10.728 1.912 -7.008) 12.956 11.892 ( -19.520 4.976 -0.581) 20.152 14.037 ( 5.773 -0.260 5.290) 7.834 14.513 ( 17.916 -5.622 -3.555) 19.111 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 0.000 12.141 14.183) 18.669 2.447 ( 0.000 12.759 6.693) 14.408 3.434 ( -0.000 10.021 -5.223) 11.301 3.549 ( -0.000 16.286 -12.926) 20.792 4.759 ( 0.000 24.670 7.677) 25.837 5.766 ( 0.000 16.584 0.171) 16.584 5.976 ( 0.000 -12.257 5.022) 13.246 6.186 ( -0.000 -3.315 -1.598) 3.680 6.624 ( -0.000 -12.804 -8.802) 15.538 7.530 ( 0.000 -1.538 0.833) 1.750 7.903 ( 0.000 9.490 4.764) 10.619 8.908 ( -0.000 -3.920 -7.088) 8.099 9.366 ( -0.000 -16.147 -3.475) 16.517 10.564 ( -0.000 -10.654 -7.256) 12.890 10.745 ( 0.000 -12.786 1.182) 12.841 11.148 ( 0.000 -0.175 1.163) 1.177 14.590 ( 0.000 -12.349 9.406) 15.523 14.743 ( -0.000 10.843 -5.058) 11.964 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 3.278 11.921 8.100) 14.781 2.733 ( 12.960 10.075 9.119) 18.778 3.505 ( -0.602 9.237 -6.831) 11.504 3.712 ( 9.529 9.584 -11.670) 17.856 5.041 ( 3.846 20.784 7.231) 22.339 5.826 ( 2.675 -17.064 14.208) 22.365 5.946 ( -4.979 15.524 -4.987) 17.049 6.115 ( -2.724 -0.339 1.143) 2.974 6.529 ( 2.187 -7.717 -5.668) 9.822 7.520 ( -1.707 3.472 -2.774) 4.761 7.950 ( -6.166 7.405 2.698) 10.006 8.684 ( -13.504 -8.848 -10.187) 19.090 9.329 ( 9.573 -10.943 -2.328) 14.724 10.413 ( -1.612 -12.249 -8.619) 15.064 10.558 ( -6.737 -10.371 5.626) 13.587 11.270 ( 11.167 2.429 0.370) 11.434 14.482 ( 1.852 -14.131 0.099) 14.253 14.796 ( -7.024 8.484 4.218) 11.794 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 7.438 10.168 5.948) 13.932 3.132 ( 19.891 10.017 6.189) 23.115 3.531 ( -2.499 6.917 -7.701) 10.649 3.972 ( 15.345 7.701 -8.235) 19.042 5.308 ( 5.561 12.903 5.827) 15.210 5.744 ( 4.532 -19.982 14.409) 25.049 5.937 ( -7.964 9.957 -1.974) 12.902 6.166 ( 0.886 7.400 4.857) 8.895 6.462 ( -2.472 -4.351 -1.596) 5.252 7.522 ( -1.615 5.594 -6.624) 8.819 7.862 ( -10.617 2.967 -1.381) 11.110 8.324 ( -12.726 -9.530 -10.560) 19.086 9.358 ( 2.680 -4.333 -0.748) 5.149 10.244 ( -1.139 -12.375 -7.488) 14.509 10.434 ( 0.423 -7.262 6.457) 9.727 11.526 ( 12.972 8.458 -0.393) 15.491 14.373 ( 1.980 -15.664 -0.606) 15.800 14.687 ( -14.312 3.096 4.264) 15.251 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 9.286 7.399 3.820) 12.473 3.482 ( 1.460 1.086 -7.781) 7.991 3.636 ( 16.364 16.451 4.633) 23.662 4.292 ( 15.647 8.808 -6.158) 18.982 5.485 ( 5.366 -0.548 5.881) 7.980 5.709 ( 5.231 -12.562 11.471) 17.797 5.885 ( -8.144 7.128 -0.536) 10.836 6.238 ( -2.205 3.498 4.397) 6.036 6.352 ( -6.465 -2.671 1.907) 7.250 7.504 ( -6.687 7.760 -9.056) 13.672 7.678 ( -5.314 -4.471 -4.396) 8.219 8.070 ( -5.797 -5.461 -5.876) 9.897 9.367 ( 0.059 3.398 2.858) 4.440 10.063 ( -5.146 -10.269 -5.849) 12.889 10.465 ( 6.541 -4.645 3.552) 8.774 11.856 ( 13.229 15.277 -0.700) 20.221 14.240 ( 1.677 -17.922 -0.018) 18.000 14.422 ( -18.513 -2.656 2.530) 18.872 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( 9.452 4.838 1.126) 10.678 3.441 ( -3.556 2.103 -4.421) 6.051 4.111 ( 17.036 17.967 0.841) 24.774 4.595 ( 10.320 11.938 -5.531) 16.721 5.514 ( 1.967 -9.291 8.385) 12.669 5.727 ( 3.598 -8.581 2.334) 9.593 5.791 ( -7.743 2.408 0.505) 8.125 6.140 ( -10.804 -2.050 0.006) 10.997 6.225 ( -6.272 -3.112 3.861) 7.996 7.446 ( -1.661 4.625 2.161) 5.368 7.641 ( 3.870 -0.670 -8.016) 8.927 7.949 ( -2.095 -3.936 -4.629) 6.427 9.458 ( 0.500 8.481 8.219) 11.820 9.855 ( -5.576 -7.318 -6.757) 11.415 10.532 ( 3.105 -1.530 0.630) 3.519 12.247 ( 12.155 21.506 -0.502) 24.708 14.040 ( -19.308 -4.350 3.111) 20.035 14.117 ( 3.973 -23.620 -1.937) 24.030 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( -5.065 3.347 -2.604) 6.606 3.482 ( 8.575 1.937 -0.055) 8.791 4.499 ( 5.983 19.692 -4.534) 21.075 4.801 ( 0.276 16.155 -5.328) 17.013 5.457 ( -1.853 -6.900 8.426) 11.047 5.577 ( -9.733 -2.771 -9.683) 14.006 5.745 ( 3.050 -10.361 4.003) 11.519 5.945 ( -5.110 -8.307 6.319) 11.621 6.115 ( -4.228 -4.246 4.454) 7.466 7.557 ( 8.240 1.033 3.481) 9.004 7.710 ( 5.241 3.681 -3.339) 7.223 7.881 ( -0.309 -2.329 -5.879) 6.331 9.453 ( -9.037 -4.499 8.453) 13.167 9.836 ( 6.569 9.074 -4.651) 12.129 10.526 ( -2.950 -0.026 -1.210) 3.189 12.614 ( 2.007 24.444 0.189) 24.527 13.699 ( -11.152 -6.690 0.572) 13.017 14.001 ( 9.192 -23.989 -0.635) 25.697 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( -7.578 3.513 0.577) 8.373 3.624 ( 7.341 0.328 -3.064) 7.961 4.531 ( -19.501 14.266 -7.548) 25.314 4.917 ( -3.914 16.523 -5.816) 17.949 5.397 ( -7.022 6.357 -5.886) 11.152 5.426 ( 1.371 -4.527 4.115) 6.270 5.701 ( 4.607 -15.022 5.638) 16.693 5.862 ( 1.965 -10.637 10.799) 15.285 6.035 ( -1.729 -4.978 4.638) 7.019 7.685 ( 10.030 -6.448 -8.995) 14.936 7.814 ( 0.725 1.971 2.606) 3.347 7.924 ( 7.146 7.684 -1.623) 10.618 9.259 ( -7.525 -7.453 5.709) 12.032 10.072 ( 9.882 8.232 -3.384) 13.300 10.437 ( -7.054 1.272 -0.072) 7.169 12.629 ( -20.937 10.909 0.126) 23.609 13.702 ( 11.115 6.177 0.844) 12.744 13.965 ( 13.237 -20.614 -0.702) 24.508 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -10.074 3.517 2.679) 11.001 3.701 ( 4.120 -2.035 -5.351) 7.053 4.183 ( -29.431 6.830 -3.835) 30.456 4.896 ( -9.871 8.781 -6.961) 14.933 5.378 ( -0.386 0.784 -2.164) 2.334 5.479 ( 0.479 10.167 4.072) 10.963 5.650 ( 2.466 -12.003 5.782) 13.549 5.866 ( 2.470 -4.840 12.531) 13.659 6.003 ( 2.012 -4.391 3.714) 6.093 7.686 ( 5.581 -11.950 -9.576) 16.299 7.890 ( 2.047 8.990 -3.076) 9.719 8.128 ( 9.655 2.677 -1.250) 10.097 9.143 ( -1.416 -3.939 5.069) 6.574 10.157 ( 3.345 -13.046 -8.132) 15.732 10.440 ( 0.516 13.523 4.777) 14.351 12.278 ( -23.806 -0.329 -0.647) 23.817 13.916 ( 8.016 -5.610 2.258) 10.041 14.166 ( 21.099 6.511 -0.568) 22.089 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 0.000 8.076 4.748) 9.368 2.736 ( 0.000 9.167 12.255) 15.304 3.576 ( -0.000 8.005 -4.490) 9.178 3.663 ( -0.000 5.875 -11.831) 13.209 5.220 ( 0.000 17.011 4.824) 17.682 5.658 ( 0.000 -21.170 16.357) 26.753 6.130 ( -0.000 -1.802 -0.087) 1.805 6.153 ( -0.000 17.972 -2.510) 18.146 6.405 ( -0.000 -3.916 -8.811) 9.642 7.583 ( -0.000 7.333 -4.008) 8.356 8.101 ( 0.000 7.448 3.470) 8.217 8.744 ( -0.000 -7.000 -9.202) 11.562 9.047 ( -0.000 -13.989 -3.065) 14.321 10.290 ( -0.000 -11.203 -8.888) 14.301 10.564 ( 0.000 -9.375 7.029) 11.718 11.152 ( 0.000 -0.080 0.888) 0.892 14.344 ( -0.000 -10.332 -3.441) 10.890 14.957 ( 0.000 6.113 7.422) 9.615 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 4.944 8.041 5.392) 10.871 2.942 ( 11.791 5.919 9.189) 16.078 3.608 ( -1.662 6.105 -5.742) 8.545 3.777 ( 11.120 4.598 -6.503) 13.678 5.348 ( 2.306 -0.870 5.395) 5.931 5.572 ( 2.114 -8.232 14.114) 16.475 6.090 ( -3.082 1.612 0.786) 3.566 6.275 ( -0.575 8.925 0.229) 8.946 6.398 ( 1.593 2.159 -8.377) 8.796 7.621 ( -2.944 8.850 -4.947) 10.557 8.092 ( -9.259 5.124 0.945) 10.625 8.433 ( -15.844 -9.457 -8.982) 20.522 9.134 ( 15.988 -6.957 -3.334) 17.752 10.119 ( -3.543 -11.502 -7.451) 14.155 10.445 ( -4.815 -6.930 8.007) 11.633 11.321 ( 16.434 2.481 0.325) 16.623 14.235 ( -1.140 -9.533 -3.218) 10.126 14.947 ( -9.232 2.909 6.570) 11.698 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( 6.235 5.866 5.331) 10.085 3.284 ( 18.342 3.838 2.315) 18.882 3.640 ( 1.443 7.191 -0.317) 7.341 4.050 ( 17.633 4.660 -3.624) 18.595 5.339 ( 5.509 -15.979 10.790) 20.052 5.631 ( 1.443 2.932 5.544) 6.435 6.068 ( -4.346 4.473 0.520) 6.259 6.319 ( 0.559 0.267 0.094) 0.626 6.391 ( -4.432 4.503 -4.654) 7.848 7.629 ( -4.094 9.289 -5.683) 11.633 7.877 ( -17.337 -0.803 -5.652) 18.253 8.124 ( -9.415 -4.951 -2.256) 10.874 9.322 ( 10.317 1.896 -2.079) 10.693 9.947 ( -0.116 -12.680 -6.737) 14.359 10.374 ( 0.392 -4.667 7.582) 8.911 11.687 ( 20.619 7.845 -0.199) 22.062 14.087 ( -3.338 -11.610 -2.301) 12.298 14.755 ( -17.611 0.160 4.740) 18.239 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 7.832 2.834 3.325) 8.968 3.473 ( 1.708 2.697 -3.467) 4.713 3.928 ( 20.374 9.787 6.356) 23.480 4.403 ( 19.266 5.533 -1.733) 20.119 5.332 ( 7.271 -14.890 11.125) 19.958 5.665 ( -0.454 -0.578 0.323) 0.803 5.999 ( -9.484 4.366 -2.089) 10.648 6.279 ( -3.253 -3.682 -4.397) 6.594 6.298 ( -9.210 1.230 -0.353) 9.299 7.587 ( -11.554 1.105 -1.608) 11.718 7.646 ( -2.628 7.355 -3.276) 8.469 7.962 ( -5.343 -3.232 -2.128) 6.598 9.516 ( 6.495 10.019 2.567) 12.213 9.792 ( -1.945 -12.481 -7.404) 14.642 10.420 ( 6.586 -3.610 4.606) 8.810 12.137 ( 21.331 12.973 -0.450) 24.970 13.895 ( -3.512 -14.483 -1.319) 14.961 14.411 ( -23.545 -1.946 2.751) 23.785 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( 8.661 0.329 0.450) 8.679 3.477 ( -3.352 4.043 -0.137) 5.254 4.405 ( 21.395 9.432 4.131) 23.744 4.758 ( 15.749 7.048 -0.665) 17.267 5.366 ( 6.426 -9.639 9.418) 14.930 5.602 ( -3.040 -4.541 -4.612) 7.151 5.812 ( -14.197 -0.001 -2.619) 14.436 6.065 ( -13.779 -3.321 -5.146) 15.079 6.174 ( -4.452 -3.614 -0.353) 5.745 7.501 ( -1.911 1.051 4.176) 4.711 7.704 ( 1.576 6.828 1.786) 7.231 7.873 ( -1.357 0.040 -5.471) 5.637 9.567 ( -7.638 -9.792 -0.005) 12.418 9.768 ( 7.923 10.776 -0.875) 13.404 10.505 ( 4.748 -2.444 0.964) 5.426 12.620 ( 19.725 14.379 -0.360) 24.413 13.710 ( -0.651 -14.405 -0.496) 14.428 13.984 ( -24.266 -2.891 1.034) 24.460 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.442 ( -4.837 4.111 2.172) 6.709 3.475 ( 7.426 -1.160 -2.192) 7.829 4.767 ( 7.636 6.806 0.373) 10.235 5.023 ( 6.434 8.496 -0.882) 10.693 5.380 ( -1.770 -6.460 4.712) 8.189 5.491 ( -2.357 -1.237 -4.387) 5.131 5.579 ( -5.141 -5.041 -0.533) 7.219 5.818 ( -7.305 -5.140 -0.774) 8.966 6.078 ( -3.590 -2.757 1.804) 4.872 7.496 ( 1.200 -3.636 -1.689) 4.185 7.819 ( 3.520 3.221 5.019) 6.925 7.913 ( 3.544 8.603 -3.668) 10.001 9.336 ( -7.857 -9.003 0.170) 11.950 9.975 ( 5.535 5.208 -0.183) 7.602 10.523 ( -0.601 -0.030 0.068) 0.606 12.922 ( -0.182 -0.199 -0.000) 0.270 13.653 ( 4.127 5.344 0.078) 6.752 13.673 ( -4.241 -5.453 -0.077) 6.909 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( -8.071 3.679 4.321) 9.866 3.566 ( 6.568 -2.788 -5.450) 8.979 4.659 ( -21.570 1.097 -2.675) 21.762 5.078 ( -7.249 -0.813 -3.298) 8.006 5.271 ( 4.842 -10.189 1.160) 11.340 5.531 ( 3.406 3.362 1.819) 5.120 5.583 ( 2.130 6.198 0.956) 6.623 5.787 ( 5.336 0.290 5.344) 7.558 6.019 ( -2.214 -0.943 3.508) 4.254 7.460 ( 3.089 -8.014 -5.957) 10.452 7.925 ( 2.817 7.361 -1.051) 7.951 8.054 ( 4.055 3.962 0.077) 5.670 9.178 ( -3.569 -2.932 2.975) 5.494 9.980 ( -0.752 -11.708 -4.010) 12.399 10.543 ( 0.332 5.767 1.784) 6.046 12.618 ( -21.002 -11.714 -0.317) 24.050 13.683 ( 9.017 -5.708 0.091) 10.672 14.000 ( 16.114 21.088 0.649) 26.548 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 0.000 3.793 3.530) 5.181 2.965 ( 0.000 5.784 13.077) 14.299 3.673 ( -0.000 2.370 -5.426) 5.921 3.679 ( -0.000 5.623 -3.722) 6.744 5.239 ( 0.000 -18.031 11.723) 21.507 5.610 ( 0.000 6.886 5.429) 8.769 6.113 ( 0.000 -0.636 1.294) 1.441 6.271 ( -0.000 -1.174 -2.466) 2.731 6.487 ( -0.000 14.006 -6.564) 15.468 7.715 ( -0.000 8.590 -5.816) 10.374 8.214 ( -0.000 3.159 -0.726) 3.241 8.547 ( -0.000 -5.488 -10.682) 12.009 8.818 ( 0.000 -8.279 0.183) 8.281 10.057 ( -0.000 -6.788 -7.170) 9.874 10.462 ( 0.000 -7.022 8.983) 11.402 11.156 ( 0.000 0.005 0.393) 0.393 14.174 ( -0.000 -5.093 -2.824) 5.823 15.065 ( 0.000 0.929 5.708) 5.783 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 8.241 2.359 2.225) 8.856 3.100 ( 7.451 2.799 12.463) 14.787 3.682 ( 0.068 4.428 -0.460) 4.452 3.822 ( 11.823 3.478 -3.027) 12.690 5.135 ( 3.483 -17.179 12.359) 21.448 5.680 ( -0.248 4.624 1.434) 4.848 6.117 ( 0.154 -0.028 1.496) 1.504 6.269 ( 1.361 -0.635 -2.647) 3.044 6.547 ( -4.533 9.552 -5.175) 11.772 7.752 ( -1.857 7.396 -6.412) 9.963 8.100 ( -14.552 -1.793 -9.407) 17.420 8.289 ( -12.287 -1.225 1.709) 12.466 9.030 ( 21.572 -1.523 -3.175) 21.858 9.901 ( -7.725 -6.083 -5.843) 11.438 10.388 ( -3.306 -4.853 8.837) 10.610 11.362 ( 20.998 1.537 0.074) 21.054 14.087 ( -4.789 -3.971 -1.830) 6.485 15.000 ( -9.828 -0.824 4.056) 10.664 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 6.339 -0.251 2.922) 6.984 3.365 ( 14.535 2.546 5.378) 15.706 3.771 ( 6.679 3.637 5.704) 9.507 4.113 ( 18.976 3.857 -0.419) 19.369 5.114 ( 6.639 -12.817 11.058) 18.183 5.688 ( -1.738 0.190 -1.801) 2.510 6.101 ( -1.949 -1.228 -1.380) 2.685 6.268 ( -1.032 0.058 -4.375) 4.496 6.480 ( -9.426 3.580 -3.237) 10.590 7.748 ( -5.537 -0.991 -5.787) 8.070 7.805 ( -10.340 7.818 -7.697) 15.076 8.102 ( -12.878 -0.293 5.720) 14.094 9.392 ( 19.752 5.334 -1.930) 20.550 9.701 ( -5.554 -6.602 -6.836) 11.007 10.348 ( 0.038 -3.312 8.006) 8.664 11.798 ( 27.021 3.311 -0.359) 27.226 13.926 ( -9.185 -3.641 -0.863) 9.918 14.759 ( -18.456 -1.925 2.322) 18.701 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( 7.506 -2.422 1.276) 7.990 3.550 ( 1.739 5.120 2.381) 5.908 4.066 ( 23.052 -1.586 8.807) 24.728 4.494 ( 20.790 4.256 2.237) 21.339 5.180 ( 8.693 -7.036 8.974) 14.339 5.614 ( -3.765 -3.064 -5.260) 7.157 6.006 ( -7.795 -1.567 -4.119) 8.954 6.172 ( -5.778 -2.669 -8.681) 10.765 6.283 ( -13.746 -1.174 -3.832) 14.318 7.619 ( -3.994 2.382 3.487) 5.813 7.823 ( -4.403 11.392 -0.572) 12.227 7.907 ( -8.022 -2.343 0.892) 8.405 9.510 ( -2.718 -11.372 -6.341) 13.302 9.771 ( 11.107 14.749 0.650) 18.475 10.377 ( 4.790 -4.021 4.371) 7.630 12.278 ( 27.195 0.397 -0.505) 27.203 13.742 ( -9.165 0.420 -0.337) 9.181 14.383 ( -24.324 -1.939 0.961) 24.420 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 8.340 -3.742 -1.472) 9.259 3.587 ( -3.754 5.182 4.248) 7.681 4.458 ( 24.122 -8.755 6.802) 26.548 4.866 ( 17.255 2.801 4.419) 18.031 5.317 ( 8.121 -0.945 7.087) 10.820 5.499 ( -3.372 -1.270 -7.562) 8.377 5.756 ( -16.384 -2.853 -5.257) 17.442 5.963 ( -12.956 -2.046 -9.338) 16.101 6.082 ( -3.183 -3.738 -4.637) 6.753 7.594 ( -9.794 3.491 8.697) 13.555 7.797 ( 2.723 0.685 4.538) 5.337 7.941 ( 2.071 9.945 -3.380) 10.706 9.321 ( -4.114 -10.215 -6.618) 12.848 10.022 ( 0.656 10.434 6.291) 12.201 10.445 ( 6.954 -3.090 -1.552) 7.766 12.630 ( 19.700 -13.142 0.015) 23.681 13.709 ( -0.320 13.861 -0.692) 13.882 13.960 ( -24.137 0.762 0.284) 24.151 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 0.000 -0.119 2.508) 2.511 3.110 ( 0.000 -1.195 14.735) 14.783 3.727 ( 0.000 5.389 2.404) 5.900 3.742 ( -0.000 3.181 -2.859) 4.277 4.995 ( 0.000 -13.535 11.513) 17.770 5.715 ( -0.000 1.351 -0.851) 1.597 6.116 ( 0.000 -0.289 2.044) 2.064 6.254 ( -0.000 0.791 -1.532) 1.725 6.647 ( -0.000 6.200 -5.838) 8.516 7.787 ( -0.000 2.928 -8.327) 8.827 8.220 ( -0.000 -0.109 -4.823) 4.824 8.440 ( -0.000 2.320 -9.686) 9.960 8.736 ( 0.000 -1.885 3.629) 4.089 9.948 ( -0.000 -0.196 -5.154) 5.158 10.412 ( 0.000 -4.512 9.692) 10.691 11.157 ( 0.000 -0.114 0.010) 0.115 14.109 ( -0.000 -0.585 -1.006) 1.163 15.080 ( 0.000 -1.972 2.858) 3.472 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 8.037 -2.095 0.806) 8.345 3.182 ( 8.055 -4.153 13.900) 16.593 3.773 ( 0.849 2.717 2.550) 3.821 3.896 ( 11.388 5.997 2.865) 13.185 4.957 ( 3.798 -8.211 9.585) 13.180 5.693 ( -1.064 -2.898 -2.959) 4.277 6.103 ( -1.731 -1.419 -0.029) 2.238 6.274 ( 0.868 1.752 -1.041) 2.215 6.620 ( -5.402 1.550 -5.150) 7.622 7.761 ( -1.453 -1.097 -8.988) 9.170 8.043 ( -13.613 3.300 -8.830) 16.558 8.333 ( -9.834 3.092 3.538) 10.898 9.024 ( 24.204 2.312 -2.216) 24.415 9.823 ( -11.808 1.987 -4.998) 12.976 10.380 ( -2.476 -2.204 9.516) 10.077 11.375 ( 22.846 -0.180 -0.215) 22.848 14.055 ( -6.417 1.045 -0.412) 6.514 14.982 ( -9.892 -2.579 1.747) 10.371 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 6.593 -4.709 1.147) 8.183 3.422 ( 18.143 -2.878 8.551) 20.263 3.832 ( 4.289 -1.261 5.638) 7.195 4.218 ( 18.001 5.403 5.961) 19.717 5.026 ( 7.139 -2.292 6.952) 10.225 5.606 ( -2.261 -6.157 -5.141) 8.334 6.032 ( -3.208 -3.056 -3.551) 5.678 6.245 ( -5.662 -0.542 -5.607) 7.987 6.469 ( -10.682 -1.674 -4.215) 11.605 7.666 ( -2.250 -1.548 -3.371) 4.338 7.935 ( -3.536 6.902 -7.194) 10.578 8.180 ( -14.902 4.649 8.122) 17.597 9.386 ( 11.303 -4.485 -1.087) 12.209 9.713 ( 2.677 12.240 -8.106) 14.923 10.360 ( -2.061 -1.132 9.201) 9.497 11.797 ( 27.318 -3.034 -0.442) 27.490 13.936 ( -9.573 4.565 -0.567) 10.621 14.726 ( -18.239 -2.172 1.159) 18.405 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 7.593 -6.078 -0.080) 9.726 3.663 ( 5.003 3.144 4.374) 7.352 3.973 ( 19.366 -13.267 7.722) 24.712 4.599 ( 19.041 2.544 8.096) 20.847 5.191 ( 9.600 3.396 4.154) 10.998 5.490 ( -1.543 -5.541 -6.148) 8.419 5.907 ( -7.179 -4.446 -5.690) 10.182 6.048 ( -9.271 -4.172 -10.298) 14.471 6.214 ( -14.484 -2.223 -5.862) 15.783 7.712 ( 5.477 4.038 3.924) 7.855 7.879 ( -8.959 -1.703 2.949) 9.584 8.069 ( -7.553 13.212 3.164) 15.544 9.294 ( -5.683 -6.591 -5.417) 10.251 10.067 ( 14.998 15.880 -2.603) 21.998 10.331 ( -2.095 -3.814 6.244) 7.611 12.151 ( 22.130 -11.718 0.040) 25.041 13.879 ( -4.650 11.958 -2.056) 12.994 14.372 ( -22.658 1.080 1.415) 22.728 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 0.000 -3.897 1.449) 4.158 3.101 ( 0.000 -9.344 13.748) 16.623 3.763 ( -0.000 0.648 -1.958) 2.063 3.917 ( 0.000 8.817 10.844) 13.976 4.901 ( 0.000 -2.555 7.376) 7.806 5.642 ( -0.000 -7.238 -3.980) 8.261 6.129 ( 0.000 0.093 2.548) 2.549 6.272 ( -0.000 1.632 -1.176) 2.012 6.644 ( -0.000 -2.124 -5.360) 5.766 7.731 ( -0.000 -1.341 -9.741) 9.833 8.159 ( -0.000 -2.269 -6.271) 6.668 8.499 ( -0.000 9.010 -8.453) 12.354 8.784 ( 0.000 3.978 4.595) 6.078 9.979 ( -0.000 6.367 -3.756) 7.393 10.425 ( 0.000 -0.820 10.276) 10.309 11.151 ( -0.000 -0.443 -0.219) 0.494 14.125 ( -0.000 2.290 -0.454) 2.335 15.044 ( 0.000 -2.815 1.566) 3.221 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 7.053 -5.968 0.134) 9.240 3.118 ( 10.670 -11.433 12.338) 19.919 3.791 ( 2.987 -1.013 -0.188) 3.159 4.095 ( 7.329 7.491 12.802) 16.545 4.957 ( 3.826 3.168 4.529) 6.722 5.532 ( -0.712 -10.911 -4.867) 11.968 6.082 ( -5.425 -0.526 0.378) 5.464 6.282 ( -1.306 -0.919 -3.705) 4.035 6.559 ( -4.577 -3.406 -3.645) 6.770 7.664 ( -1.941 -2.074 -7.235) 7.773 8.038 ( -6.147 0.328 -6.604) 9.028 8.460 ( -9.303 8.629 0.722) 12.709 9.080 ( 20.436 4.722 -1.270) 21.013 9.908 ( -12.144 9.832 -4.754) 16.332 10.438 ( -2.380 1.640 10.454) 10.846 11.354 ( 21.394 -1.738 -0.316) 21.467 14.101 ( -5.259 3.646 -1.488) 6.569 14.944 ( -9.623 -2.040 2.165) 10.072 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 6.690 -8.468 0.581) 10.808 3.329 ( 22.710 -12.656 7.404) 27.032 3.813 ( 1.155 -3.251 2.560) 4.296 4.376 ( 14.217 3.251 12.331) 19.098 5.113 ( 7.100 8.006 1.168) 10.764 5.399 ( 0.405 -11.479 -4.332) 12.276 5.963 ( -6.916 -1.550 -2.519) 7.522 6.127 ( -8.948 -7.155 -8.582) 14.314 6.393 ( -11.328 -2.306 -5.176) 12.666 7.656 ( 4.336 1.380 0.336) 4.563 7.957 ( -3.031 -0.252 -2.498) 3.936 8.389 ( -11.264 11.792 4.010) 16.793 9.310 ( 1.169 -1.444 -1.791) 2.580 9.941 ( 8.172 15.492 -7.963) 19.241 10.441 ( -4.782 3.086 10.671) 12.094 11.693 ( 21.777 -7.029 -0.090) 22.883 14.047 ( -5.070 6.711 -3.860) 9.254 14.721 ( -16.687 1.223 3.520) 17.098 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 0.000 -7.990 0.293) 7.995 2.947 ( 0.000 -15.121 11.318) 18.888 3.740 ( -0.000 -2.039 -1.134) 2.333 4.155 ( 0.000 5.147 15.225) 16.071 4.991 ( 0.000 8.309 1.538) 8.450 5.396 ( -0.000 -14.838 -4.013) 15.371 6.159 ( 0.000 1.207 3.139) 3.363 6.252 ( -0.000 -3.985 -5.380) 6.696 6.550 ( -0.000 -2.402 -1.585) 2.878 7.638 ( -0.000 -1.818 -7.734) 7.945 8.048 ( -0.000 -4.994 -6.167) 7.935 8.641 ( -0.000 11.279 -8.585) 14.174 8.945 ( 0.000 9.488 4.028) 10.308 10.131 ( -0.000 11.393 -3.209) 11.836 10.526 ( 0.000 4.122 10.815) 11.574 11.138 ( -0.000 -0.584 -0.272) 0.644 14.162 ( -0.000 1.953 -3.455) 3.969 15.020 ( 0.000 -0.880 4.214) 4.305 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 6.538 -10.271 -0.408) 12.182 2.911 ( 11.574 -17.527 8.798) 22.772 3.742 ( 3.142 -3.840 -0.306) 4.971 4.274 ( 5.845 -0.750 14.065) 15.250 5.117 ( 3.603 10.780 -2.948) 11.742 5.246 ( 0.973 -14.227 -0.370) 14.265 6.095 ( -7.650 0.432 0.243) 7.666 6.135 ( -5.295 -8.687 -6.422) 12.031 6.507 ( -5.442 0.191 -2.699) 6.078 7.607 ( 1.754 -0.119 -2.734) 3.250 7.964 ( -1.070 -3.905 -4.153) 5.800 8.656 ( -6.703 11.927 -2.743) 13.954 9.190 ( 11.904 7.469 -0.825) 14.077 10.115 ( -10.241 14.176 -4.296) 18.008 10.587 ( -2.813 6.538 10.754) 12.896 11.311 ( 17.637 -2.396 -0.201) 17.800 14.134 ( -2.593 1.440 -6.252) 6.920 14.966 ( -8.677 2.028 6.612) 11.096 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -0.000 -12.854 -0.919) 12.886 2.670 ( 0.000 -20.351 7.495) 21.687 3.669 ( -0.000 -4.798 -0.496) 4.824 4.216 ( 0.000 -11.177 10.708) 15.478 5.059 ( -0.000 -13.284 -0.084) 13.284 5.230 ( -0.000 11.717 -1.633) 11.830 6.040 ( -0.000 -10.071 -7.668) 12.658 6.217 ( 0.000 2.481 3.314) 4.139 6.570 ( -0.000 3.822 -1.643) 4.160 7.577 ( -0.000 -0.301 -2.718) 2.735 7.897 ( -0.000 -6.572 -4.433) 7.927 8.805 ( -0.000 11.279 -7.944) 13.796 9.184 ( 0.000 12.624 2.163) 12.808 10.355 ( -0.000 13.625 -2.954) 13.942 10.727 ( 0.000 9.430 9.993) 13.740 11.129 ( 0.000 -0.179 0.011) 0.179 14.124 ( -0.000 -1.990 -8.710) 8.934 15.091 ( 0.000 3.630 9.662) 10.321 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.000 -0.000 27.273) 27.273 0.877 ( 0.000 -0.000 27.273) 27.273 1.583 ( 0.000 -0.000 50.822) 50.822 2.961 ( -0.000 0.000 -6.199) 6.199 2.961 ( -0.000 0.000 -6.199) 6.199 5.376 ( -0.000 0.000 -13.057) 13.057 6.351 ( 0.000 -0.000 0.185) 0.185 6.351 ( 0.000 -0.000 0.185) 0.185 7.583 ( -0.000 0.000 -2.376) 2.376 7.583 ( -0.000 0.000 -2.376) 2.376 8.662 ( -0.000 0.000 -5.009) 5.009 10.032 ( 0.000 -0.000 2.903) 2.903 10.032 ( 0.000 -0.000 2.903) 2.903 10.745 ( 0.000 -0.000 2.681) 2.681 11.233 ( -0.000 0.000 -1.388) 1.388 11.233 ( -0.000 0.000 -1.388) 1.388 11.839 ( 0.000 -0.000 1.264) 1.264 15.877 ( -0.000 0.000 -0.840) 0.840 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 13.664 7.889 21.503) 26.670 1.210 ( 12.603 7.276 26.299) 30.056 2.004 ( 24.112 13.921 36.224) 45.688 3.004 ( 4.924 2.843 -6.138) 8.367 3.137 ( 17.268 9.970 -5.020) 20.562 5.321 ( -0.559 -0.323 -13.842) 13.857 6.281 ( -5.247 -3.029 0.290) 6.065 6.329 ( -1.219 -0.704 -0.233) 1.427 7.263 ( -24.914 -14.384 -0.125) 28.769 7.642 ( 3.713 2.144 -1.476) 4.535 8.696 ( -0.228 -0.132 -2.669) 2.682 9.104 ( -30.437 -17.573 19.333) 40.112 9.946 ( -6.453 -3.725 2.100) 7.741 11.107 ( -4.226 -2.440 -6.026) 7.754 11.246 ( 0.329 0.190 -0.886) 0.963 11.270 ( 2.992 1.728 -12.209) 12.689 12.694 ( 54.016 31.186 -9.500) 63.092 15.752 ( -8.068 -4.658 -0.195) 9.319 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 19.468 11.240 14.410) 26.702 1.584 ( 14.663 8.466 22.672) 28.297 2.758 ( 33.036 19.074 16.224) 41.454 3.123 ( 7.168 4.138 -5.863) 10.143 3.628 ( 26.330 15.201 -0.482) 30.407 5.278 ( 1.056 0.610 -12.665) 12.723 6.175 ( -3.691 -2.131 -1.721) 4.596 6.299 ( -1.226 -0.708 -0.990) 1.727 6.666 ( -25.781 -14.884 1.169) 29.792 7.733 ( 4.547 2.625 0.200) 5.254 8.504 ( -13.680 -7.898 12.111) 19.905 8.875 ( -3.102 -1.791 -6.096) 7.070 9.769 ( -9.618 -5.553 0.758) 11.132 10.928 ( -9.313 -5.377 -4.222) 11.553 11.215 ( -2.963 -1.710 -9.665) 10.252 11.241 ( -0.612 -0.353 -0.255) 0.751 13.543 ( 24.700 14.260 -0.328) 28.522 15.602 ( -4.237 -2.446 -4.380) 6.566 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 18.921 10.924 10.124) 24.080 2.017 ( 18.429 10.640 15.233) 26.170 3.266 ( 7.053 4.072 -5.480) 9.816 3.481 ( 28.304 16.342 -0.541) 32.688 4.247 ( 27.711 15.999 6.317) 32.616 5.300 ( 4.188 2.418 -8.903) 10.131 6.088 ( -5.349 -3.088 -3.715) 7.207 6.230 ( -11.222 -6.479 4.478) 13.710 6.272 ( -0.731 -0.422 -1.894) 2.074 7.836 ( 4.088 2.360 2.510) 5.346 8.239 ( -14.051 -8.112 8.523) 18.327 8.721 ( -8.767 -5.062 -9.718) 14.033 9.540 ( -10.717 -6.187 -1.002) 12.415 10.685 ( -11.122 -6.421 -3.481) 13.306 11.105 ( -4.194 -2.421 -6.679) 8.249 11.219 ( -1.280 -0.739 0.272) 1.503 13.887 ( 7.369 4.255 8.113) 11.757 15.525 ( -1.521 -0.878 -7.063) 7.278 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 15.680 9.053 7.211) 19.489 2.488 ( 20.162 11.640 8.406) 24.752 3.389 ( 5.512 3.182 -4.701) 7.913 3.967 ( 17.418 10.056 -14.059) 24.539 4.856 ( 23.261 13.430 11.439) 29.194 5.375 ( 3.895 2.249 -3.595) 5.758 5.982 ( -0.090 -0.052 6.454) 6.455 6.177 ( 1.675 0.967 -0.031) 1.934 6.254 ( -0.265 -0.153 -2.624) 2.642 7.917 ( -16.338 -9.433 -0.069) 18.866 7.923 ( 2.556 1.476 4.792) 5.628 8.449 ( -12.688 -7.325 -4.430) 15.306 9.303 ( -9.716 -5.610 -2.762) 11.554 10.424 ( -11.166 -6.447 -3.072) 13.254 10.989 ( -4.627 -2.671 -4.678) 7.101 11.190 ( -1.333 -0.770 0.530) 1.628 13.998 ( 1.382 0.798 8.127) 8.283 15.463 ( -2.480 -1.432 -5.811) 6.478 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 10.936 6.314 4.190) 13.305 2.956 ( 20.284 11.711 2.442) 23.549 3.480 ( 3.994 2.306 -2.840) 5.416 4.156 ( 5.088 2.937 -21.478) 22.267 5.239 ( 7.440 4.295 5.257) 10.072 5.549 ( 12.341 7.125 13.197) 19.423 6.087 ( 4.499 2.597 3.542) 6.287 6.240 ( -0.241 -0.139 -2.940) 2.953 6.253 ( 4.781 2.760 -0.691) 5.564 7.553 ( -13.529 -7.811 -5.576) 16.587 7.980 ( 1.064 0.614 6.042) 6.165 8.169 ( -11.981 -6.917 5.189) 14.776 9.100 ( -7.526 -4.345 -3.796) 9.483 10.183 ( -9.375 -5.412 -2.920) 11.212 10.869 ( -4.792 -2.767 -3.988) 6.821 11.168 ( -0.826 -0.477 0.508) 1.080 14.035 ( 0.406 0.235 4.901) 4.923 15.373 ( -4.140 -2.390 -3.628) 6.001 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 5.098 2.943 0.366) 5.898 3.393 ( 19.029 10.987 -3.591) 22.265 3.557 ( 3.542 2.045 0.392) 4.109 4.076 ( -4.587 -2.648 -22.510) 23.125 5.359 ( 2.662 1.537 5.145) 5.993 5.828 ( 4.538 2.620 11.918) 13.019 6.094 ( -2.783 -1.607 -4.999) 5.942 6.222 ( -0.431 -0.249 -2.964) 3.006 6.366 ( 6.219 3.591 -2.456) 7.590 7.387 ( -0.527 -0.304 4.040) 4.085 7.979 ( -7.071 -4.083 12.660) 15.065 8.015 ( 0.343 0.198 6.079) 6.092 8.949 ( -4.877 -2.816 -3.914) 6.859 10.003 ( -5.830 -3.366 -2.663) 7.240 10.754 ( -4.204 -2.427 -4.513) 6.627 11.157 ( -0.299 -0.173 0.350) 0.492 14.059 ( 0.834 0.481 1.903) 2.133 15.264 ( -4.647 -2.683 -2.186) 5.794 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( -0.425 -0.245 -2.533) 2.580 3.640 ( 3.183 1.838 3.047) 4.774 3.696 ( 3.440 1.986 -18.415) 18.839 3.914 ( 3.407 1.967 -10.333) 11.057 5.328 ( -7.099 -4.098 -3.875) 9.066 5.739 ( -7.093 -4.095 -5.013) 9.603 6.126 ( 3.255 1.879 6.624) 7.616 6.203 ( -0.366 -0.211 -3.013) 3.042 6.495 ( 4.680 2.702 0.942) 5.486 7.457 ( 1.964 1.134 10.519) 10.761 7.984 ( 3.490 2.015 18.116) 18.559 8.036 ( -0.282 -0.163 5.783) 5.792 8.864 ( -1.410 -0.814 -3.732) 4.071 9.918 ( -0.973 -0.562 -1.933) 2.236 10.660 ( -2.510 -1.449 -5.923) 6.594 11.153 ( -0.207 -0.119 0.206) 0.315 14.085 ( 1.177 0.679 0.400) 1.416 15.162 ( -3.725 -2.151 -1.903) 4.704 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( -4.475 -2.584 -2.947) 5.948 3.445 ( -12.810 -7.396 -18.916) 24.013 3.706 ( 1.541 0.890 3.471) 3.900 4.141 ( 12.381 7.148 -10.515) 17.746 5.103 ( -7.475 -4.315 -10.660) 13.716 5.585 ( -7.538 -4.352 0.219) 8.707 6.189 ( 0.151 0.087 -3.186) 3.191 6.198 ( 0.809 0.467 6.543) 6.610 6.551 ( -0.186 -0.107 2.552) 2.561 7.515 ( 0.489 0.282 10.768) 10.783 8.034 ( -1.761 -1.017 5.672) 6.025 8.218 ( 10.586 6.112 18.559) 22.223 8.870 ( 3.148 1.817 -3.595) 5.112 9.952 ( 4.442 2.564 -0.498) 5.153 10.611 ( 0.252 0.146 -7.723) 7.728 11.147 ( -0.421 -0.243 0.121) 0.501 14.111 ( 0.851 0.491 0.902) 1.333 15.093 ( -1.681 -0.971 -2.995) 3.569 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( -7.754 -4.477 -1.547) 9.086 3.074 ( -15.558 -8.982 -13.527) 22.488 3.722 ( -1.116 -0.644 2.334) 2.666 4.301 ( 4.735 2.734 -13.808) 14.851 5.020 ( 2.900 1.674 -3.940) 5.171 5.373 ( -11.477 -6.626 0.083) 13.253 6.182 ( -5.040 -2.910 8.282) 10.122 6.192 ( 1.116 0.644 -3.371) 3.609 6.536 ( -0.551 -0.318 1.299) 1.446 7.557 ( 0.339 0.196 8.172) 8.181 7.990 ( -3.990 -2.303 5.395) 7.094 8.527 ( 11.649 6.726 14.149) 19.522 8.981 ( 7.806 4.507 -3.180) 9.558 10.108 ( 9.262 5.347 1.498) 10.799 10.627 ( 3.879 2.240 -9.293) 10.316 11.137 ( -0.489 -0.283 0.073) 0.570 14.126 ( -0.249 -0.144 3.731) 3.742 15.070 ( 0.907 0.524 -5.657) 5.754 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.000 21.329 22.600) 31.075 1.293 ( 0.000 18.369 20.940) 27.855 2.051 ( 0.000 14.774 37.540) 40.342 2.956 ( -0.000 4.922 -7.323) 8.823 3.151 ( -0.000 21.653 -3.737) 21.973 5.280 ( -0.000 0.807 -15.157) 15.178 6.260 ( -0.000 -6.193 -0.286) 6.200 6.355 ( -0.000 -0.551 -0.104) 0.561 7.490 ( -0.000 -7.041 -4.268) 8.233 7.546 ( -0.000 0.390 -1.845) 1.886 8.672 ( -0.000 -4.143 -2.048) 4.622 9.038 ( 0.000 -44.499 19.150) 48.444 10.041 ( 0.000 -3.688 2.587) 4.504 11.089 ( -0.000 -0.983 -8.964) 9.017 11.193 ( -0.000 -1.657 -1.272) 2.089 11.273 ( -0.000 1.606 -7.079) 7.259 12.680 ( -0.000 64.645 -7.949) 65.132 15.706 ( 0.000 -15.986 0.978) 16.016 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 5.023 23.203 15.886) 28.566 1.604 ( 6.173 15.191 23.556) 28.702 2.523 ( 21.988 19.832 18.278) 34.797 3.053 ( 6.162 7.351 -7.020) 11.887 3.488 ( 12.986 25.662 1.184) 28.785 5.246 ( -0.142 3.370 -14.431) 14.820 6.195 ( -1.565 -3.583 -1.137) 4.072 6.311 ( -3.045 -2.010 -0.946) 3.769 7.067 ( -29.645 -6.735 -0.515) 30.405 7.647 ( 6.282 -0.276 -1.617) 6.493 8.482 ( -1.036 -28.243 11.904) 30.667 8.880 ( -0.521 -0.938 -2.766) 2.967 9.910 ( -9.250 -4.244 1.767) 10.329 10.980 ( -5.618 -6.659 -5.111) 10.100 11.174 ( -0.049 -3.196 -5.087) 6.008 11.241 ( -0.099 -1.636 -3.801) 4.140 13.414 ( 18.246 40.595 -4.093) 44.695 15.534 ( -0.224 -15.972 -1.307) 16.027 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 11.331 15.015 16.386) 24.947 1.975 ( 9.676 20.707 14.302) 26.962 3.109 ( 18.740 10.186 -1.143) 21.360 3.266 ( 14.139 15.838 -5.338) 21.892 4.038 ( 21.542 23.364 7.887) 32.744 5.260 ( 1.568 6.566 -11.317) 13.177 6.128 ( -3.909 -1.537 -2.095) 4.694 6.224 ( -1.933 -4.956 -1.434) 5.510 6.564 ( -24.071 0.250 4.074) 24.414 7.743 ( 6.712 -2.081 0.734) 7.066 8.260 ( -1.826 -21.369 7.597) 22.753 8.793 ( -7.500 -1.452 -9.276) 12.017 9.698 ( -11.971 -3.686 1.239) 12.587 10.768 ( -9.047 -8.277 -2.920) 12.604 11.081 ( -1.663 -6.779 -6.918) 9.828 11.237 ( 0.330 0.846 -0.549) 1.061 13.904 ( 6.096 18.910 6.346) 20.857 15.415 ( 3.745 -12.151 -6.680) 14.363 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 15.531 13.158 11.648) 23.452 2.376 ( 9.797 19.833 8.887) 23.839 3.325 ( 6.260 6.012 -5.223) 10.130 3.726 ( 19.357 13.914 -13.177) 27.238 4.657 ( 23.131 18.712 12.452) 32.252 5.340 ( 2.806 7.162 -7.203) 10.538 6.022 ( -3.286 -1.993 3.368) 5.111 6.187 ( -0.009 0.362 0.528) 0.640 6.327 ( -9.787 3.217 2.509) 10.603 7.799 ( 3.166 -10.391 4.755) 11.858 8.053 ( -4.438 -9.590 -1.811) 10.721 8.557 ( -11.304 -6.429 -7.939) 15.236 9.458 ( -13.216 -2.619 0.482) 13.482 10.514 ( -10.450 -8.887 -1.734) 13.828 10.963 ( -1.395 -7.797 -5.833) 9.837 11.256 ( -1.155 4.615 -0.037) 4.757 14.072 ( -2.559 7.512 10.101) 12.846 15.360 ( 4.820 -10.453 -8.135) 14.095 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 7.564 15.445 6.726) 18.466 2.772 ( 16.556 13.745 3.799) 21.851 3.448 ( 4.017 5.698 -3.698) 7.892 4.023 ( 9.560 8.678 -19.675) 23.534 5.171 ( 12.856 11.380 8.086) 18.978 5.460 ( 8.665 6.258 5.063) 11.827 6.060 ( 2.715 2.681 5.840) 6.975 6.212 ( 0.256 1.280 4.000) 4.207 6.262 ( -0.861 1.735 -2.138) 2.885 7.594 ( -8.474 -16.766 -2.118) 18.905 7.988 ( -0.183 -0.636 -2.291) 2.385 8.304 ( -8.320 -6.862 1.137) 10.845 9.227 ( -11.810 -1.174 -0.557) 11.881 10.248 ( -10.027 -9.392 -1.115) 13.784 10.848 ( -1.544 -7.351 -5.276) 9.179 11.287 ( -3.430 9.700 0.160) 10.290 14.083 ( -3.843 1.732 7.673) 8.755 15.301 ( 3.026 -10.980 -6.097) 12.919 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 1.916 12.750 1.966) 13.043 3.170 ( 16.816 9.333 -2.153) 19.352 3.563 ( 3.654 7.916 -0.513) 8.734 4.080 ( -2.268 5.938 -21.680) 22.592 5.357 ( 2.830 4.919 4.243) 7.086 5.780 ( 11.953 5.096 15.459) 20.195 6.082 ( -1.363 -2.700 -4.277) 5.238 6.196 ( -2.101 -2.886 0.051) 3.570 6.323 ( 3.761 3.319 -1.184) 5.153 7.367 ( -0.799 -6.976 1.783) 7.244 7.920 ( -2.513 -8.168 1.656) 8.705 8.202 ( -2.998 1.667 7.029) 7.821 9.054 ( -9.004 2.348 -1.214) 9.384 10.005 ( -6.923 -10.593 -0.732) 12.676 10.737 ( -1.811 -6.104 -5.638) 8.504 11.326 ( -6.311 14.841 0.283) 16.130 14.054 ( -1.381 -1.990 3.956) 4.639 15.211 ( 1.466 -11.595 -3.825) 12.297 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( -3.325 8.452 -1.987) 9.297 3.452 ( 11.302 1.194 -6.287) 12.988 3.751 ( 6.139 15.209 -0.880) 16.425 3.955 ( -9.825 5.442 -17.724) 20.983 5.400 ( -4.288 -0.012 0.398) 4.307 5.795 ( -8.594 -6.002 -6.155) 12.155 6.091 ( 4.244 0.105 6.938) 8.134 6.150 ( 2.736 -4.383 -0.714) 5.216 6.429 ( 5.798 1.602 1.049) 6.106 7.441 ( 6.619 0.972 11.325) 13.154 7.822 ( 1.589 -10.116 5.926) 11.832 8.233 ( -1.113 5.319 7.216) 9.033 8.971 ( -7.228 9.047 -0.566) 11.594 9.827 ( -0.542 -12.267 -0.328) 12.283 10.637 ( -1.438 -4.425 -6.772) 8.216 11.358 ( -9.259 18.396 0.391) 20.598 14.035 ( 1.959 -4.382 1.269) 4.965 15.111 ( 1.239 -11.418 -2.459) 11.745 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( -6.760 4.931 -2.895) 8.854 3.493 ( -3.776 -1.131 -13.848) 14.398 3.804 ( -7.963 7.443 -3.593) 11.477 4.022 ( 9.054 13.558 -8.107) 18.207 5.191 ( -11.828 -3.189 -11.376) 16.718 5.641 ( -4.212 -4.717 0.711) 6.364 6.101 ( 2.072 -5.678 0.637) 6.077 6.210 ( 2.793 -0.682 5.168) 5.914 6.519 ( 3.784 -2.862 3.886) 6.133 7.559 ( 0.282 1.907 10.536) 10.711 7.862 ( 10.278 -8.146 8.376) 15.561 8.305 ( 1.743 4.201 6.648) 8.055 8.982 ( -6.605 16.650 1.072) 17.944 9.768 ( 8.014 -12.181 0.627) 14.594 10.565 ( 0.074 -2.648 -8.328) 8.739 11.369 ( -11.461 19.314 0.433) 22.463 14.046 ( 4.304 -4.921 0.432) 6.551 15.025 ( 2.229 -10.502 -2.249) 10.969 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -9.388 2.655 -1.626) 9.891 3.254 ( -16.493 1.013 -14.505) 21.987 3.781 ( -3.076 3.543 1.557) 4.943 4.227 ( 5.135 10.272 -13.164) 17.469 5.018 ( -2.703 2.541 -7.452) 8.324 5.492 ( -8.910 -6.233 2.830) 11.236 6.088 ( 3.611 -6.488 -0.770) 7.464 6.230 ( -0.702 -3.955 6.525) 7.662 6.522 ( 0.663 -5.263 3.618) 6.421 7.591 ( -0.619 0.802 7.179) 7.250 7.971 ( 4.623 -4.242 6.673) 9.160 8.437 ( 9.210 1.150 5.471) 10.774 9.065 ( -4.526 18.322 1.615) 18.942 9.871 ( 14.930 -7.557 2.601) 16.935 10.541 ( 2.946 -0.955 -9.814) 10.291 11.351 ( -12.110 17.591 0.363) 21.359 14.084 ( 4.527 -3.529 1.964) 6.067 14.973 ( 4.056 -8.995 -3.509) 10.472 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 0.000 19.225 13.910) 23.729 1.814 ( 0.000 19.333 22.431) 29.612 2.603 ( 0.000 25.074 10.933) 27.354 3.049 ( -0.000 9.441 -7.143) 11.838 3.668 ( 0.000 29.846 3.960) 30.108 5.249 ( -0.000 7.183 -14.076) 15.803 6.168 ( -0.000 -2.443 -1.708) 2.981 6.321 ( -0.000 -2.509 -1.194) 2.779 7.255 ( -0.000 -12.783 -10.656) 16.642 7.590 ( 0.000 4.768 0.934) 4.859 8.194 ( 0.000 -33.949 17.058) 37.993 8.894 ( -0.000 4.313 -3.772) 5.730 9.916 ( 0.000 -10.224 0.137) 10.225 10.941 ( -0.000 -7.506 -6.005) 9.612 11.163 ( 0.000 -0.911 0.055) 0.913 11.172 ( -0.000 -6.503 -5.851) 8.748 13.687 ( -0.000 44.042 -3.296) 44.165 15.344 ( 0.000 -21.058 0.747) 21.071 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 3.226 15.443 15.483) 22.105 2.116 ( 5.736 20.213 16.064) 26.449 2.976 ( 11.705 20.807 -2.290) 23.983 3.196 ( 8.379 12.371 -6.855) 16.440 4.055 ( 9.837 28.186 8.494) 31.038 5.296 ( 0.098 11.558 -11.640) 16.403 6.147 ( -0.146 -0.935 -1.450) 1.731 6.237 ( -5.171 -4.174 -1.895) 6.910 6.930 ( -17.408 -7.828 -3.508) 19.407 7.637 ( 1.616 -0.057 1.608) 2.281 8.019 ( 5.110 -23.771 9.559) 26.125 8.873 ( -5.389 0.962 -7.386) 9.194 9.779 ( -3.600 -9.848 0.047) 10.485 10.802 ( -5.215 -8.407 -3.701) 10.563 11.019 ( -3.794 -9.469 -4.801) 11.275 11.209 ( 3.440 0.240 -0.579) 3.497 14.088 ( 2.400 29.159 3.460) 29.461 15.172 ( 3.680 -19.292 -2.690) 19.824 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 9.160 13.668 12.780) 20.834 2.479 ( 7.905 21.375 10.753) 25.199 3.252 ( 7.465 8.933 -7.144) 13.659 3.532 ( 16.065 16.203 -11.140) 25.391 4.561 ( 16.485 22.779 11.935) 30.547 5.390 ( -0.086 13.614 -8.614) 16.110 6.075 ( -4.850 -2.590 1.340) 5.659 6.168 ( 1.389 -1.034 -0.511) 1.805 6.609 ( -16.167 -0.663 4.750) 16.864 7.657 ( 3.589 -8.781 3.623) 10.154 7.922 ( 2.876 -12.508 -1.364) 12.906 8.668 ( -12.188 -5.051 -10.653) 16.957 9.614 ( -7.624 -6.242 1.407) 9.953 10.595 ( -8.909 -8.006 -1.052) 12.024 10.862 ( -0.452 -11.356 -5.203) 12.499 11.280 ( 2.974 3.903 -0.474) 4.930 14.292 ( -6.022 14.670 10.547) 19.045 15.084 ( 8.024 -16.481 -7.890) 19.957 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 12.665 11.882 7.940) 19.095 2.840 ( 6.140 22.176 6.380) 23.879 3.403 ( 5.959 5.293 -6.589) 10.341 3.880 ( 13.039 13.070 -14.794) 23.658 5.078 ( 17.079 15.725 11.613) 25.959 5.470 ( -0.945 10.191 -4.386) 11.135 6.070 ( 2.160 2.794 6.652) 7.532 6.197 ( 3.065 -1.524 1.561) 3.762 6.397 ( -11.923 0.162 6.905) 13.779 7.548 ( -4.579 -13.557 0.370) 14.314 7.897 ( 5.154 -5.025 -7.062) 10.085 8.364 ( -10.777 -7.978 -7.625) 15.425 9.415 ( -10.814 -3.366 2.442) 11.586 10.354 ( -11.261 -6.902 0.246) 13.210 10.754 ( 1.199 -9.408 -5.061) 10.750 11.385 ( 2.621 8.764 -0.486) 9.160 14.271 ( -10.884 5.436 10.492) 16.065 15.042 ( 8.327 -16.456 -7.942) 20.081 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( 12.926 9.409 4.197) 16.529 3.113 ( 0.633 18.860 -1.152) 18.905 3.544 ( 7.335 6.960 -3.111) 10.579 4.099 ( 4.154 12.671 -15.791) 20.668 5.398 ( 2.229 8.947 2.958) 9.683 5.639 ( 13.328 5.527 9.562) 17.310 6.120 ( -3.606 0.088 0.785) 3.692 6.244 ( -2.088 -4.966 4.951) 7.316 6.270 ( 0.251 0.595 5.071) 5.112 7.335 ( -4.535 -6.747 -2.025) 8.378 7.879 ( 0.533 -6.523 -6.126) 8.964 8.181 ( -0.120 -6.560 -1.269) 6.683 9.242 ( -9.039 1.561 3.365) 9.770 10.093 ( -12.586 -6.414 1.062) 14.166 10.674 ( 0.060 -6.294 -5.475) 8.342 11.528 ( 0.834 15.026 -0.330) 15.053 14.142 ( -9.825 -0.882 6.656) 11.900 14.980 ( 6.731 -17.974 -5.427) 19.945 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( -4.899 10.841 -2.637) 12.186 3.280 ( 11.535 5.915 -2.488) 13.200 3.769 ( 7.423 14.296 -2.917) 16.370 4.157 ( -6.526 14.899 -13.734) 21.289 5.468 ( -1.501 3.597 2.913) 4.866 5.879 ( -5.891 -4.913 0.795) 7.712 5.971 ( 5.572 -2.957 -1.030) 6.392 6.137 ( -4.538 -4.093 6.122) 8.650 6.337 ( 5.224 -2.989 2.849) 6.659 7.353 ( 7.392 1.538 8.416) 11.306 7.777 ( -2.312 -5.998 -2.370) 6.851 8.178 ( 5.749 -6.415 -1.427) 8.731 9.194 ( -4.726 10.230 4.649) 12.190 9.828 ( -11.512 -7.328 1.854) 13.772 10.595 ( -1.229 -3.954 -6.628) 7.815 11.683 ( -3.898 21.390 0.117) 21.743 13.997 ( -4.654 -6.291 2.967) 8.369 14.892 ( 5.989 -18.768 -3.303) 19.976 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( -6.612 5.486 -4.069) 9.506 3.472 ( 5.217 5.961 -4.136) 8.936 3.960 ( -1.735 11.845 -11.872) 16.860 4.145 ( -6.386 20.181 -4.585) 21.658 5.351 ( -13.565 -1.395 -9.134) 16.413 5.650 ( -3.626 -5.791 -0.390) 6.843 6.049 ( -0.706 -5.523 3.415) 6.532 6.128 ( 6.045 -3.813 8.779) 11.320 6.400 ( 6.112 -6.924 4.696) 10.361 7.571 ( 7.906 3.871 12.509) 15.297 7.708 ( 1.810 -3.235 -0.643) 3.762 8.207 ( 6.884 -8.073 -3.159) 11.070 9.307 ( -3.187 21.386 5.713) 22.364 9.602 ( -4.980 -10.793 3.010) 12.262 10.517 ( -1.154 -2.803 -8.180) 8.724 11.788 ( -10.769 24.734 0.596) 26.983 13.909 ( 2.671 -8.991 0.760) 9.410 14.805 ( 6.344 -18.420 -2.096) 19.595 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( -8.250 3.126 -2.389) 9.140 3.510 ( -8.568 10.389 -8.601) 15.979 3.890 ( -7.676 5.248 -6.097) 11.119 4.290 ( -0.757 19.006 -8.275) 20.743 5.110 ( -8.474 2.886 -9.460) 13.024 5.557 ( -4.289 -5.810 4.409) 8.461 5.997 ( 0.082 -5.969 3.351) 6.846 6.177 ( 2.975 -7.479 7.769) 11.187 6.420 ( 4.233 -10.526 5.469) 12.594 7.639 ( -1.237 1.948 2.508) 3.408 7.858 ( 9.064 1.683 7.523) 11.899 8.245 ( 9.892 -8.351 -4.638) 13.752 9.371 ( -9.655 7.876 2.005) 12.620 9.631 ( 9.925 7.188 7.874) 14.566 10.456 ( 0.840 -2.685 -9.668) 10.069 11.792 ( -16.142 22.186 0.605) 27.444 13.929 ( 8.190 -6.390 0.836) 10.421 14.742 ( 7.475 -17.058 -1.962) 18.727 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 0.000 16.029 8.606) 18.193 2.266 ( 0.000 12.910 20.686) 24.384 3.105 ( -0.000 24.824 -8.179) 26.137 3.208 ( -0.000 11.221 -6.063) 12.754 4.281 ( 0.000 28.176 9.490) 29.731 5.396 ( -0.000 16.639 -10.275) 19.556 6.128 ( -0.000 -2.061 -0.078) 2.062 6.249 ( -0.000 -3.661 -1.638) 4.011 6.882 ( -0.000 -16.246 -12.906) 20.749 7.739 ( 0.000 8.736 3.702) 9.488 7.767 ( 0.000 -21.049 12.544) 24.503 8.916 ( -0.000 0.710 -6.444) 6.483 9.660 ( -0.000 -15.081 -2.544) 15.294 10.741 ( -0.000 -9.608 -5.147) 10.899 10.971 ( -0.000 -10.605 -2.759) 10.958 11.157 ( 0.000 -0.312 1.201) 1.241 14.359 ( 0.000 27.068 1.242) 27.097 14.947 ( 0.000 -20.044 1.453) 20.097 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 2.866 13.187 10.814) 17.293 2.539 ( 9.406 13.760 13.031) 21.157 3.263 ( 0.768 13.813 -8.793) 16.393 3.424 ( 11.051 15.423 -9.156) 21.068 4.633 ( 7.124 24.578 10.469) 27.648 5.535 ( -1.117 19.501 -8.452) 21.283 6.107 ( 0.272 -4.798 2.845) 5.584 6.154 ( -4.476 -3.036 -0.690) 5.452 6.703 ( -0.812 -11.310 -6.381) 13.011 7.591 ( -3.216 -10.004 7.061) 12.660 7.835 ( -0.561 2.927 1.569) 3.368 8.783 ( -10.822 -4.611 -9.643) 15.211 9.553 ( 3.805 -12.479 -1.607) 13.144 10.604 ( -2.672 -10.062 -4.738) 11.438 10.785 ( -6.122 -11.641 -0.051) 13.153 11.230 ( 6.183 1.757 0.371) 6.439 14.567 ( -2.681 17.531 2.791) 17.953 14.793 ( 2.594 -17.873 0.955) 18.085 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 7.717 11.770 8.778) 16.587 2.907 ( 12.792 15.960 8.567) 22.175 3.359 ( 1.551 7.990 -9.295) 12.355 3.743 ( 13.863 13.081 -9.431) 21.266 5.031 ( 11.333 17.912 9.888) 23.389 5.639 ( -5.133 16.679 -7.418) 18.962 6.079 ( 2.006 -2.389 7.882) 8.476 6.117 ( 1.730 -4.218 3.184) 5.561 6.565 ( -5.637 -5.847 1.427) 8.246 7.494 ( -1.297 -6.498 -0.639) 6.657 7.813 ( -3.194 0.888 -2.515) 4.161 8.462 ( -13.706 -8.444 -10.940) 19.464 9.480 ( -1.643 -7.786 0.086) 7.958 10.432 ( -5.501 -9.113 -2.923) 11.039 10.619 ( -0.099 -10.440 0.411) 10.449 11.378 ( 6.758 6.597 -0.341) 9.450 14.584 ( -13.241 7.102 12.527) 19.562 14.705 ( 8.296 -16.169 -9.038) 20.297 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 10.035 9.792 4.970) 14.876 3.286 ( 4.732 19.928 4.018) 20.873 3.429 ( 8.321 2.990 -7.259) 11.440 4.055 ( 11.584 13.067 -8.555) 19.446 5.389 ( 11.090 9.670 7.480) 16.505 5.658 ( -4.779 11.201 -2.488) 12.429 6.094 ( 3.893 -12.641 7.670) 15.290 6.183 ( 2.305 3.532 5.859) 7.219 6.415 ( -8.417 -2.592 5.040) 10.147 7.383 ( -6.087 -0.624 -6.568) 8.977 7.753 ( 0.470 -4.993 -6.002) 7.822 8.169 ( -7.502 -7.103 -6.005) 11.950 9.369 ( -4.803 -2.339 2.173) 5.767 10.225 ( -8.872 -7.737 -1.118) 11.825 10.573 ( 3.169 -6.306 -1.076) 7.139 11.584 ( 7.316 12.454 -0.615) 14.457 14.402 ( -16.501 0.878 9.114) 18.871 14.647 ( 7.534 -18.702 -6.797) 21.277 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( 9.752 7.402 -0.100) 12.243 3.356 ( -3.942 6.672 -2.597) 8.173 3.752 ( 12.506 17.360 -1.254) 21.432 4.300 ( 4.126 15.689 -7.963) 18.071 5.554 ( -1.725 5.058 2.093) 5.740 5.761 ( 8.646 1.690 5.928) 10.618 5.990 ( -5.441 -12.699 -1.072) 13.857 6.195 ( -2.876 -3.615 5.803) 7.417 6.291 ( -4.804 -1.921 4.293) 6.723 7.329 ( 0.708 5.293 0.813) 5.401 7.697 ( 2.389 -6.953 -7.117) 10.233 8.038 ( 0.041 -6.317 -2.915) 6.957 9.335 ( -1.710 5.599 4.730) 7.526 9.985 ( -11.228 -6.682 -0.232) 13.068 10.560 ( 0.347 -2.238 -2.912) 3.689 11.852 ( 6.549 18.944 -0.420) 20.048 14.134 ( -16.064 -3.890 4.894) 17.238 14.558 ( 7.795 -22.201 -4.057) 23.877 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( -3.039 4.529 -6.354) 8.373 3.419 ( 6.423 5.217 2.265) 8.579 4.074 ( 4.136 20.754 -6.710) 22.201 4.434 ( -4.778 19.158 -5.841) 20.591 5.518 ( -7.729 0.902 -1.437) 7.913 5.682 ( -10.568 -8.918 -5.796) 14.993 5.921 ( 8.755 -6.242 4.905) 11.818 6.119 ( -3.336 -5.105 10.513) 12.154 6.249 ( 2.800 -7.789 4.070) 9.223 7.499 ( 8.927 6.458 8.832) 14.121 7.660 ( 2.069 -2.943 -6.933) 7.811 7.992 ( 4.023 -8.946 -4.265) 10.696 9.448 ( 2.219 9.880 8.142) 12.993 9.741 ( -10.906 -2.767 -0.926) 11.289 10.514 ( -2.969 -0.238 -4.754) 5.610 12.130 ( 0.179 24.839 0.213) 24.841 13.862 ( -9.015 -8.975 1.784) 12.845 14.464 ( 8.809 -23.384 -2.242) 25.088 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( -6.580 3.797 -2.467) 7.987 3.573 ( 5.504 4.474 -2.049) 7.383 4.168 ( -12.759 18.014 -11.196) 24.752 4.525 ( -4.934 21.130 -4.032) 22.070 5.282 ( -12.623 2.425 -10.857) 16.825 5.556 ( -1.036 -6.209 5.856) 8.597 5.958 ( 2.257 -8.353 5.372) 10.185 6.076 ( 1.046 -7.409 10.329) 12.754 6.237 ( 5.204 -12.639 5.332) 14.672 7.661 ( 1.937 1.581 -3.843) 4.584 7.766 ( 10.054 6.816 7.371) 14.208 7.961 ( 6.834 -11.760 -7.478) 15.521 9.443 ( -6.427 -8.862 6.988) 12.988 9.767 ( 3.510 20.490 1.469) 20.840 10.430 ( -4.133 -0.780 -6.068) 7.384 12.272 ( -13.203 23.853 0.644) 27.271 13.738 ( 4.967 -7.651 0.422) 9.132 14.394 ( 10.237 -22.593 -1.221) 24.834 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 0.000 11.954 5.502) 13.159 2.599 ( 0.000 9.690 15.813) 18.546 3.381 ( -0.000 10.373 -5.078) 11.549 3.423 ( -0.000 15.437 -11.373) 19.174 4.843 ( 0.000 23.331 8.748) 24.917 5.725 ( -0.000 22.448 -7.392) 23.634 6.042 ( 0.000 -10.348 6.952) 12.466 6.175 ( -0.000 -2.937 -0.573) 2.992 6.527 ( -0.000 -11.425 -10.313) 15.391 7.548 ( 0.000 -6.926 3.021) 7.556 7.948 ( 0.000 9.492 4.035) 10.314 8.828 ( -0.000 -4.498 -8.858) 9.934 9.331 ( -0.000 -16.306 -3.451) 16.667 10.493 ( -0.000 -12.119 -6.642) 13.820 10.768 ( 0.000 -9.898 3.107) 10.374 11.160 ( 0.000 -0.303 1.303) 1.337 14.544 ( -0.000 -9.546 -11.625) 15.042 14.832 ( 0.000 8.243 15.940) 17.945 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 3.850 10.664 7.565) 13.629 2.829 ( 10.853 9.042 9.498) 17.022 3.434 ( -1.747 9.900 -6.745) 12.106 3.618 ( 10.532 10.122 -6.714) 16.077 5.110 ( 4.179 18.594 6.571) 20.159 5.879 ( -4.925 19.937 -7.855) 21.987 5.963 ( 2.217 -15.556 12.291) 19.949 6.131 ( -0.778 0.947 2.137) 2.464 6.464 ( 5.013 -8.118 -7.286) 12.005 7.495 ( -2.511 0.073 -1.890) 3.143 7.975 ( -7.795 7.375 2.227) 10.960 8.580 ( -14.572 -8.783 -10.568) 20.029 9.303 ( 10.401 -11.394 -2.876) 15.694 10.336 ( -1.238 -13.084 -6.597) 14.705 10.616 ( -6.528 -8.266 5.957) 12.101 11.274 ( 10.602 2.387 0.503) 10.879 14.437 ( 3.243 -12.594 -7.649) 15.087 14.884 ( -8.582 6.769 11.609) 15.945 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 6.396 9.388 7.225) 13.463 3.181 ( 17.908 8.133 2.667) 19.849 3.470 ( -2.156 9.352 -3.500) 10.216 3.910 ( 15.242 8.928 -3.955) 18.102 5.360 ( 6.150 10.765 4.457) 13.175 5.863 ( -3.233 -1.840 4.228) 5.631 5.928 ( -0.693 -3.368 4.764) 5.875 6.212 ( 2.221 6.382 4.312) 8.016 6.433 ( 1.243 -6.310 -4.227) 7.696 7.452 ( -3.756 4.750 -7.201) 9.408 7.850 ( -12.876 2.371 -1.175) 13.145 8.232 ( -11.372 -7.824 -7.349) 15.638 9.344 ( 4.578 -4.883 -2.125) 7.023 10.179 ( -0.131 -13.182 -5.498) 14.284 10.497 ( -1.363 -5.688 6.233) 8.548 11.524 ( 12.615 8.492 -0.136) 15.207 14.341 ( 3.543 -15.422 -5.187) 16.652 14.752 ( -16.241 2.583 8.073) 18.320 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 7.539 7.236 4.598) 11.416 3.409 ( 1.914 2.147 -6.449) 7.062 3.686 ( 14.531 16.729 5.046) 22.726 4.247 ( 14.763 10.228 -2.503) 18.134 5.535 ( 5.935 0.990 3.875) 7.157 5.814 ( -0.492 -5.935 7.543) 9.611 5.878 ( -3.830 -1.985 0.952) 4.417 6.263 ( -4.042 2.156 0.490) 4.608 6.355 ( -2.664 -4.848 -1.395) 5.705 7.421 ( -3.621 8.380 -7.446) 11.781 7.646 ( -7.639 -3.100 -1.831) 8.445 8.027 ( -5.337 -4.515 -2.541) 7.438 9.384 ( 2.727 3.584 0.350) 4.518 10.014 ( -3.828 -12.059 -3.692) 13.180 10.499 ( 3.648 -3.111 3.232) 5.782 11.851 ( 13.103 15.324 -0.342) 20.165 14.221 ( 3.816 -18.948 -3.325) 19.613 14.462 ( -21.140 -1.814 4.892) 21.774 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( 6.181 5.678 0.389) 8.402 3.410 ( -0.956 2.168 -1.596) 2.857 4.119 ( 13.565 19.275 0.535) 23.576 4.555 ( 8.791 13.455 -2.105) 16.210 5.590 ( 0.893 -4.637 5.558) 7.294 5.722 ( -5.033 -11.848 -2.217) 13.062 5.800 ( -2.033 0.225 0.916) 2.241 6.134 ( -6.908 -4.858 -0.612) 8.468 6.252 ( -4.228 -4.143 1.483) 6.102 7.486 ( 2.415 6.664 5.276) 8.836 7.563 ( 1.531 0.079 -7.075) 7.240 7.917 ( -2.440 -4.503 -1.763) 5.416 9.524 ( 4.304 10.797 4.027) 12.301 9.800 ( -6.384 -11.158 -3.463) 13.314 10.536 ( 1.085 -0.355 0.196) 1.158 12.244 ( 12.333 21.520 -0.177) 24.804 14.069 ( -20.043 -5.421 2.616) 20.927 14.096 ( 4.165 -22.577 -2.207) 23.064 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( -4.475 5.697 -1.248) 7.351 3.479 ( 7.055 0.618 -0.417) 7.095 4.451 ( 1.218 21.446 -4.923) 22.037 4.764 ( -0.357 16.911 -2.005) 17.033 5.470 ( -11.705 -1.099 -11.121) 16.183 5.539 ( -2.226 -6.264 7.650) 10.135 5.782 ( 4.802 -11.268 3.362) 12.702 6.009 ( 0.651 -11.922 6.176) 13.443 6.155 ( -3.336 -4.355 3.229) 6.366 7.547 ( 5.008 -2.955 -4.265) 7.212 7.710 ( 7.393 9.723 1.220) 12.275 7.843 ( -0.970 -3.817 -0.656) 3.992 9.530 ( -9.526 -8.821 6.506) 14.522 9.790 ( 8.897 11.300 -4.273) 15.004 10.515 ( -4.072 1.476 -0.997) 4.444 12.617 ( 2.376 24.391 0.303) 24.509 13.705 ( -11.650 -7.283 0.566) 13.750 13.993 ( 9.274 -23.257 -0.898) 25.054 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 0.000 7.674 4.142) 8.721 2.867 ( 0.000 8.637 13.055) 15.654 3.530 ( -0.000 8.328 -4.491) 9.462 3.574 ( -0.000 6.822 -5.178) 8.564 5.261 ( 0.000 14.880 3.372) 15.257 5.821 ( 0.000 -18.968 15.916) 24.761 6.108 ( -0.000 21.186 -6.839) 22.263 6.136 ( 0.000 -1.381 1.143) 1.793 6.319 ( -0.000 -4.371 -7.769) 8.914 7.537 ( -0.000 5.537 -4.942) 7.421 8.124 ( 0.000 6.334 1.029) 6.417 8.640 ( -0.000 -7.403 -11.541) 13.711 9.024 ( -0.000 -13.121 -1.466) 13.203 10.214 ( -0.000 -11.481 -6.130) 13.015 10.635 ( 0.000 -7.898 7.076) 10.604 11.161 ( 0.000 -0.326 0.771) 0.837 14.293 ( -0.000 -8.612 -6.307) 10.674 15.047 ( 0.000 3.958 10.126) 10.873 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 6.984 6.522 5.208) 10.883 3.039 ( 7.122 7.175 9.468) 13.851 3.566 ( -1.013 7.297 -2.193) 7.686 3.732 ( 11.735 5.153 -2.273) 13.016 5.389 ( 2.310 4.369 2.647) 5.606 5.723 ( 1.900 -14.912 15.763) 21.782 6.091 ( -4.326 4.751 -1.049) 6.511 6.277 ( 0.690 9.253 0.267) 9.282 6.307 ( 3.402 0.563 -9.397) 10.010 7.558 ( -3.146 8.503 -7.458) 11.740 8.082 ( -10.532 2.296 -3.211) 11.248 8.355 ( -13.938 -6.540 -6.251) 16.617 9.099 ( 15.353 -7.062 -3.464) 17.251 10.055 ( -3.223 -11.373 -5.123) 12.883 10.526 ( -5.012 -6.299 8.063) 11.393 11.324 ( 16.153 2.369 0.295) 16.328 14.194 ( -0.914 -8.105 -4.639) 9.384 15.020 ( -9.665 1.014 7.714) 12.408 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 6.102 4.530 6.918) 10.277 3.295 ( 11.791 5.261 -0.203) 12.913 3.665 ( 5.319 9.174 5.060) 11.750 4.029 ( 18.025 4.970 -0.247) 18.700 5.435 ( 4.878 -9.432 7.484) 12.991 5.697 ( 1.424 -6.305 8.291) 10.513 6.060 ( -6.147 6.238 -2.310) 9.058 6.285 ( 1.754 -4.304 -6.780) 8.220 6.363 ( -3.171 6.847 -0.885) 7.597 7.552 ( -4.687 10.489 -9.422) 14.858 7.820 ( -14.057 -3.484 -5.439) 15.470 8.125 ( -10.465 -1.137 2.071) 10.729 9.292 ( 11.950 1.962 -4.020) 12.760 9.889 ( -0.411 -12.975 -4.772) 13.831 10.450 ( -0.724 -4.333 7.662) 8.832 11.685 ( 20.429 7.771 -0.145) 21.858 14.060 ( -3.110 -10.409 -3.045) 11.282 14.804 ( -18.189 -1.384 5.069) 18.932 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 6.583 1.450 4.855) 8.307 3.443 ( 1.465 5.450 -2.610) 6.218 4.001 ( 18.411 11.101 7.735) 22.848 4.400 ( 19.171 6.098 1.261) 20.157 5.447 ( 6.668 -13.585 11.039) 18.732 5.662 ( -1.584 -5.193 -0.465) 5.449 5.968 ( -10.090 4.437 -4.072) 11.751 6.214 ( -2.755 -4.686 -8.320) 9.939 6.283 ( -8.742 -0.297 -2.620) 9.131 7.571 ( -1.458 10.510 -4.178) 11.403 7.618 ( -7.011 0.945 0.321) 7.082 7.960 ( -7.999 -2.413 1.781) 8.542 9.511 ( 8.761 9.992 -3.848) 13.834 9.743 ( -1.060 -12.924 -2.167) 13.147 10.466 ( 3.992 -3.396 4.688) 7.032 12.133 ( 21.321 12.860 -0.354) 24.901 13.879 ( -3.347 -13.504 -1.691) 14.015 14.439 ( -24.099 -3.085 2.722) 24.448 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 0.000 3.376 3.535) 4.888 3.111 ( 0.000 6.616 15.508) 16.860 3.640 ( -0.000 6.078 -4.036) 7.296 3.648 ( 0.000 3.320 0.909) 3.442 5.345 ( 0.000 -12.087 8.741) 14.916 5.676 ( 0.000 -1.513 8.250) 8.387 6.131 ( 0.000 -0.518 2.357) 2.413 6.238 ( -0.000 -0.203 -4.610) 4.615 6.417 ( -0.000 15.134 -7.014) 16.680 7.641 ( -0.000 8.441 -8.873) 12.247 8.190 ( -0.000 1.769 -3.845) 4.233 8.426 ( -0.000 -4.923 -13.520) 14.388 8.832 ( 0.000 -7.011 2.539) 7.457 10.001 ( -0.000 -6.757 -3.997) 7.851 10.550 ( 0.000 -6.381 8.616) 10.721 11.159 ( 0.000 -0.174 0.231) 0.290 14.143 ( -0.000 -3.719 -3.283) 4.960 15.125 ( 0.000 -0.966 6.113) 6.189 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 8.601 1.132 3.042) 9.193 3.236 ( 3.453 4.177 14.067) 15.075 3.699 ( 1.506 6.205 3.788) 7.424 3.797 ( 12.851 3.543 -1.570) 13.423 5.263 ( 3.282 -16.566 12.619) 21.082 5.695 ( -0.475 0.764 1.820) 2.031 6.130 ( -0.783 -0.747 1.118) 1.556 6.235 ( 0.339 1.244 -4.493) 4.675 6.492 ( -3.182 9.586 -5.409) 11.457 7.669 ( -1.512 7.509 -10.038) 12.627 7.998 ( -15.945 -2.770 -10.454) 19.266 8.303 ( -6.963 1.079 0.359) 7.055 8.998 ( 19.533 -1.232 -3.029) 19.805 9.853 ( -8.011 -6.222 -3.543) 10.745 10.478 ( -3.593 -4.544 8.901) 10.620 11.363 ( 20.836 1.405 -0.053) 20.884 14.068 ( -4.728 -2.829 -1.921) 5.835 15.041 ( -10.063 -2.415 4.152) 11.151 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 7.055 -1.931 3.747) 8.218 3.422 ( 8.163 5.134 5.629) 11.166 3.849 ( 9.674 3.506 9.790) 14.202 4.117 ( 19.645 5.134 1.362) 20.350 5.235 ( 6.339 -14.392 12.767) 20.256 5.665 ( -2.489 -2.100 -2.475) 4.090 6.080 ( -3.028 -2.477 -2.729) 4.770 6.210 ( -3.975 1.584 -7.210) 8.384 6.444 ( -8.546 2.870 -4.029) 9.874 7.681 ( -0.771 3.629 -8.610) 9.376 7.730 ( -9.507 4.521 -5.652) 11.949 8.162 ( -12.748 1.215 5.659) 14.001 9.360 ( 21.025 7.063 -4.512) 22.634 9.641 ( -6.577 -8.299 -4.964) 11.695 10.432 ( -1.074 -3.039 8.610) 9.194 11.794 ( 26.890 3.201 -0.503) 27.084 13.917 ( -9.126 -2.887 -0.884) 9.613 14.782 ( -18.785 -3.022 2.410) 19.178 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 0.000 -0.718 3.010) 3.094 3.283 ( 0.000 -2.546 19.582) 19.747 3.710 ( -0.000 3.797 -3.508) 5.170 3.766 ( 0.000 8.314 5.176) 9.794 5.123 ( 0.000 -15.200 13.525) 20.347 5.705 ( -0.000 -0.781 -0.984) 1.256 6.141 ( 0.000 -0.350 2.848) 2.869 6.232 ( -0.000 1.789 -2.914) 3.419 6.582 ( -0.000 6.685 -6.703) 9.466 7.688 ( -0.000 2.783 -11.162) 11.504 8.163 ( -0.000 -0.506 -6.315) 6.335 8.322 ( -0.000 4.291 -14.020) 14.662 8.778 ( 0.000 -1.511 4.547) 4.791 9.911 ( -0.000 -0.397 -2.105) 2.142 10.507 ( 0.000 -4.082 9.140) 10.010 11.156 ( -0.000 -0.216 -0.081) 0.231 14.099 ( -0.000 0.218 -0.940) 0.965 15.110 ( 0.000 -3.237 3.021) 4.428 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 7.713 -2.965 2.189) 8.549 3.336 ( 5.570 -5.143 16.405) 18.072 3.788 ( 5.081 0.675 0.811) 5.189 3.945 ( 8.931 10.999 6.806) 15.718 5.069 ( 3.586 -11.090 12.353) 16.984 5.662 ( -1.497 -4.298 -3.041) 5.474 6.103 ( -3.954 -1.514 0.013) 4.233 6.254 ( -0.244 2.112 -3.211) 3.851 6.566 ( -4.630 1.956 -5.398) 7.375 7.663 ( -0.131 -0.276 -10.259) 10.264 7.952 ( -13.549 4.405 -9.267) 16.995 8.345 ( -4.102 3.639 -1.315) 5.639 9.000 ( 21.806 2.815 -2.349) 22.112 9.784 ( -13.074 1.433 -2.727) 13.432 10.476 ( -2.598 -1.828 9.477) 9.996 11.373 ( 22.675 -0.242 -0.334) 22.679 14.050 ( -6.410 1.276 -0.471) 6.553 15.002 ( -10.043 -3.239 2.194) 10.778 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 0.000 -4.694 2.340) 5.245 3.260 ( 0.000 -12.083 17.733) 21.459 3.738 ( -0.000 1.369 -2.909) 3.215 4.030 ( 0.000 11.793 11.564) 16.517 4.993 ( 0.000 -6.274 10.647) 12.358 5.605 ( -0.000 -8.117 -3.260) 8.747 6.157 ( 0.000 0.117 3.128) 3.130 6.249 ( -0.000 1.456 -3.634) 3.914 6.590 ( -0.000 -1.045 -5.074) 5.180 7.625 ( -0.000 -0.334 -11.125) 11.130 8.095 ( -0.000 -2.221 -6.412) 6.786 8.384 ( -0.000 10.980 -14.346) 18.066 8.830 ( 0.000 3.864 4.373) 5.835 9.954 ( -0.000 5.840 -1.236) 5.969 10.525 ( 0.000 -0.307 9.454) 9.459 11.149 ( -0.000 -0.497 -0.186) 0.531 14.119 ( -0.000 1.769 -0.771) 1.930 15.065 ( 0.000 -2.689 2.522) 3.687 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 -0.000 24.644) 24.644 1.137 ( 0.000 -0.000 24.644) 24.644 2.076 ( 0.000 -0.000 47.831) 47.831 2.892 ( -0.000 0.000 -7.674) 7.674 2.892 ( -0.000 0.000 -7.674) 7.674 5.222 ( -0.000 0.000 -17.725) 17.725 6.353 ( 0.000 -0.000 0.199) 0.199 6.353 ( 0.000 -0.000 0.199) 0.199 7.559 ( -0.000 0.000 -2.458) 2.458 7.559 ( -0.000 0.000 -2.458) 2.458 8.616 ( -0.000 0.000 -4.076) 4.076 10.062 ( 0.000 -0.000 3.062) 3.062 10.062 ( 0.000 -0.000 3.062) 3.062 10.768 ( 0.000 -0.000 1.898) 1.898 11.218 ( -0.000 0.000 -1.512) 1.512 11.218 ( -0.000 0.000 -1.512) 1.512 11.854 ( 0.000 -0.000 1.610) 1.610 15.869 ( -0.000 0.000 -0.881) 0.881 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 10.538 6.084 20.993) 24.264 1.461 ( 13.629 7.869 23.710) 28.457 2.343 ( 13.518 7.805 30.169) 33.968 2.936 ( 5.279 3.048 -7.393) 9.582 3.102 ( 19.760 11.408 -0.683) 22.827 5.163 ( 0.298 0.172 -17.833) 17.836 6.285 ( -5.468 -3.157 0.449) 6.330 6.328 ( -1.495 -0.863 -0.019) 1.727 7.265 ( -23.180 -13.383 0.586) 26.773 7.623 ( 4.272 2.466 -2.210) 5.405 8.661 ( 2.988 1.725 -3.630) 5.008 9.269 ( -35.135 -20.285 13.552) 42.774 9.971 ( -6.939 -4.006 2.823) 8.496 11.036 ( -0.864 -0.499 -7.394) 7.461 11.190 ( -0.343 -0.198 -4.748) 4.764 11.235 ( 0.616 0.356 -1.321) 1.500 12.630 ( 51.395 29.673 -3.984) 59.480 15.746 ( -8.742 -5.047 -0.838) 10.129 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 16.894 9.754 15.029) 24.625 1.818 ( 12.107 6.990 23.679) 27.498 2.861 ( 25.879 14.941 3.430) 30.079 3.060 ( 7.557 4.363 -6.668) 10.982 3.669 ( 28.245 16.307 9.402) 33.943 5.137 ( 2.866 1.655 -15.352) 15.705 6.165 ( -4.820 -2.783 -0.520) 5.590 6.290 ( -1.666 -0.962 -0.692) 2.044 6.695 ( -25.205 -14.552 4.578) 29.462 7.729 ( 5.573 3.218 -1.069) 6.524 8.608 ( -10.834 -6.255 8.614) 15.189 8.814 ( -9.140 -5.277 -6.081) 12.181 9.783 ( -10.436 -6.025 1.921) 12.203 10.888 ( -8.705 -5.026 -3.785) 10.740 11.136 ( -2.661 -1.536 -6.129) 6.856 11.235 ( -0.262 -0.151 -0.858) 0.910 13.547 ( 29.581 17.078 1.066) 34.173 15.554 ( -6.551 -3.782 -5.008) 9.072 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 17.202 9.932 10.335) 22.391 2.182 ( 14.743 8.512 17.650) 24.522 3.210 ( 7.474 4.315 -5.578) 10.276 3.414 ( 23.737 13.705 -12.085) 29.955 4.353 ( 28.770 16.611 13.852) 35.994 5.200 ( 6.597 3.809 -10.630) 13.077 6.071 ( -3.612 -2.085 -0.124) 4.173 6.254 ( -1.199 -0.692 -1.663) 2.164 6.289 ( -11.851 -6.842 7.358) 15.537 7.853 ( 5.438 3.140 0.987) 6.357 8.297 ( -17.348 -10.016 2.184) 20.150 8.643 ( -7.158 -4.133 -4.952) 9.635 9.536 ( -11.777 -6.799 0.361) 13.603 10.656 ( -10.950 -6.322 -2.356) 12.862 11.045 ( -3.648 -2.106 -5.308) 6.777 11.219 ( -0.988 -0.571 -0.346) 1.193 13.974 ( 8.993 5.192 9.205) 13.876 15.441 ( -1.681 -0.971 -9.630) 9.824 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 14.295 8.253 6.425) 17.713 2.581 ( 16.771 9.683 10.143) 21.861 3.346 ( 6.160 3.557 -3.808) 8.068 3.793 ( 14.832 8.563 -19.913) 26.265 4.973 ( 21.091 12.177 10.113) 26.370 5.352 ( 9.869 5.698 0.090) 11.396 6.044 ( 1.134 0.655 5.752) 5.899 6.198 ( 0.126 0.073 3.934) 3.937 6.228 ( -0.573 -0.331 -2.608) 2.691 7.875 ( -18.919 -10.923 -7.787) 23.192 7.965 ( 3.760 2.171 3.573) 5.623 8.451 ( -9.773 -5.642 4.582) 12.179 9.281 ( -10.699 -6.177 -1.666) 12.466 10.400 ( -11.259 -6.500 -1.817) 13.127 10.941 ( -4.273 -2.467 -4.852) 6.920 11.193 ( -1.174 -0.678 0.023) 1.356 14.087 ( 0.024 0.014 9.659) 9.659 15.388 ( -0.955 -0.552 -9.240) 9.305 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 9.442 5.451 2.304) 11.143 2.982 ( 17.237 9.952 2.579) 20.070 3.461 ( 5.094 2.941 -0.889) 5.948 3.930 ( 4.177 2.412 -23.002) 23.503 5.277 ( 7.495 4.327 2.515) 9.013 5.701 ( 15.586 8.998 16.436) 24.373 6.095 ( 0.568 0.328 -1.408) 1.553 6.209 ( -0.306 -0.176 -3.170) 3.190 6.253 ( 2.628 1.517 -0.038) 3.035 7.497 ( -10.326 -5.962 -4.622) 12.788 8.039 ( 1.582 0.914 5.680) 5.967 8.256 ( -9.753 -5.631 11.346) 15.986 9.063 ( -8.001 -4.619 -3.452) 9.862 10.160 ( -9.518 -5.495 -1.725) 11.125 10.823 ( -4.758 -2.747 -5.148) 7.529 11.171 ( -0.791 -0.457 0.173) 0.929 14.090 ( -1.430 -0.826 6.089) 6.309 15.322 ( -2.646 -1.528 -6.488) 7.172 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 3.821 2.206 -1.505) 4.662 3.345 ( 15.330 8.851 -6.470) 18.847 3.571 ( 4.631 2.673 2.305) 5.823 3.860 ( -2.689 -1.552 -19.814) 20.056 5.398 ( 1.343 0.775 2.433) 2.885 5.878 ( -8.252 -4.764 -4.890) 10.710 6.082 ( 4.740 2.737 5.938) 8.076 6.191 ( -0.374 -0.216 -3.285) 3.314 6.350 ( 7.573 4.372 -0.486) 8.758 7.451 ( 3.558 2.054 8.366) 9.320 8.078 ( 0.263 0.152 6.512) 6.519 8.123 ( -5.344 -3.086 15.610) 16.786 8.907 ( -4.866 -2.809 -4.294) 7.071 9.981 ( -5.799 -3.348 -1.470) 6.856 10.700 ( -4.490 -2.593 -6.176) 8.064 11.160 ( -0.317 -0.183 0.175) 0.405 14.082 ( -0.446 -0.257 2.651) 2.700 15.232 ( -3.721 -2.149 -4.086) 5.930 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -0.769 -0.444 -3.061) 3.187 3.491 ( -1.767 -1.020 -21.521) 21.617 3.674 ( 3.472 2.005 3.614) 5.398 3.828 ( 7.942 4.586 -7.296) 11.719 5.251 ( -11.821 -6.825 -11.200) 17.656 5.704 ( -3.631 -2.096 -1.422) 4.427 6.171 ( -0.342 -0.197 -3.198) 3.223 6.191 ( 2.662 1.537 5.577) 6.368 6.523 ( 5.533 3.195 4.618) 7.883 7.571 ( 2.274 1.313 11.909) 12.195 8.098 ( -0.466 -0.269 6.522) 6.545 8.164 ( 4.270 2.465 17.351) 18.038 8.823 ( -1.269 -0.732 -4.440) 4.675 9.904 ( -0.640 -0.369 -0.525) 0.907 10.592 ( -3.014 -1.740 -7.746) 8.491 11.155 ( -0.225 -0.130 0.157) 0.304 14.091 ( 0.770 0.445 0.712) 1.139 15.139 ( -3.502 -2.022 -2.673) 4.848 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 0.000 20.171 21.754) 29.666 1.490 ( 0.000 15.310 18.292) 23.853 2.388 ( 0.000 4.120 28.228) 28.528 2.879 ( -0.000 5.146 -7.975) 9.491 3.136 ( 0.000 25.203 2.257) 25.304 5.110 ( -0.000 2.044 -18.808) 18.919 6.261 ( 0.000 -6.936 0.415) 6.948 6.352 ( -0.000 -0.939 -0.341) 0.999 7.447 ( -0.000 -9.608 -4.267) 10.512 7.532 ( -0.000 1.245 -0.916) 1.546 8.642 ( -0.000 1.662 -3.094) 3.512 9.207 ( 0.000 -48.017 14.438) 50.141 10.062 ( 0.000 -4.423 1.650) 4.721 11.006 ( -0.000 0.707 -7.222) 7.257 11.182 ( -0.000 -1.240 -0.746) 1.447 11.223 ( -0.000 -0.707 -3.718) 3.784 12.627 ( -0.000 60.643 -3.431) 60.740 15.712 ( 0.000 -14.998 0.341) 15.001 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 4.130 20.112 14.726) 25.266 1.838 ( 6.931 14.630 22.956) 28.090 2.648 ( 15.379 12.042 5.914) 20.408 2.980 ( 6.492 7.534 -7.247) 12.305 3.545 ( 14.741 27.102 10.543) 32.603 5.088 ( 0.802 5.224 -17.067) 17.866 6.189 ( -1.666 -4.662 -0.167) 4.953 6.301 ( -3.287 -2.693 -1.022) 4.371 7.067 ( -25.358 -8.296 0.413) 26.684 7.628 ( 6.580 0.293 -1.974) 6.876 8.576 ( -0.735 -20.311 7.090) 21.525 8.863 ( -5.639 -10.292 -0.783) 11.762 9.926 ( -8.812 -5.039 1.431) 10.251 10.930 ( -4.211 -5.852 -4.696) 8.604 11.129 ( -2.608 -3.600 -3.445) 5.624 11.216 ( 1.498 -1.135 -1.718) 2.547 13.384 ( 21.186 42.958 -2.162) 47.947 15.521 ( -2.825 -16.310 -1.150) 16.593 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 9.895 18.048 10.973) 23.325 2.156 ( 7.673 13.227 20.476) 25.555 3.063 ( 16.163 8.585 -7.976) 19.964 3.193 ( 12.896 14.364 -8.843) 21.233 4.154 ( 22.681 23.417 14.351) 35.619 5.137 ( 3.308 8.651 -12.937) 15.910 6.115 ( -3.803 -1.590 -0.656) 4.174 6.212 ( -1.216 -5.023 -1.046) 5.272 6.615 ( -22.465 -0.092 6.089) 23.276 7.742 ( 8.045 -0.999 -0.906) 8.157 8.330 ( -4.660 -24.125 6.118) 25.322 8.703 ( -7.692 -2.043 -8.331) 11.522 9.713 ( -12.171 -3.759 1.716) 12.853 10.743 ( -8.527 -7.553 -2.037) 11.572 11.023 ( -1.948 -6.897 -4.744) 8.595 11.231 ( 0.690 1.014 -0.740) 1.433 13.967 ( 9.634 21.559 6.185) 24.410 15.346 ( 0.998 -12.749 -7.038) 14.597 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 11.555 15.605 7.110) 20.679 2.488 ( 9.495 13.542 13.772) 21.522 3.272 ( 7.325 5.773 -5.413) 10.784 3.571 ( 16.364 13.459 -16.927) 27.119 4.788 ( 22.345 18.092 12.418) 31.318 5.269 ( 6.215 8.853 -6.013) 12.376 6.060 ( -0.539 0.023 3.956) 3.993 6.186 ( 1.274 -0.301 -0.798) 1.533 6.370 ( -12.859 3.801 6.110) 14.736 7.840 ( 4.297 -8.160 3.296) 9.794 8.008 ( -8.441 -13.093 -7.343) 17.222 8.509 ( -6.673 -8.536 -1.480) 10.935 9.468 ( -14.312 -1.803 1.519) 14.505 10.502 ( -10.602 -8.111 -0.556) 13.361 10.908 ( -1.214 -8.058 -5.122) 9.625 11.254 ( -0.920 4.613 -0.359) 4.717 14.178 ( -2.825 7.752 11.044) 13.785 15.266 ( 5.086 -9.664 -10.705) 15.293 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 5.719 16.324 2.302) 17.449 2.823 ( 13.852 9.417 6.639) 18.018 3.417 ( 5.607 5.607 -2.501) 8.315 3.823 ( 7.326 9.824 -19.589) 23.107 5.218 ( 8.618 10.184 1.319) 13.406 5.544 ( 17.387 8.168 11.320) 22.297 6.103 ( -0.126 1.680 2.755) 3.229 6.229 ( 1.845 3.101 -2.622) 4.460 6.267 ( -5.261 1.973 4.810) 7.397 7.558 ( -10.709 -14.368 -4.839) 18.562 7.978 ( 4.320 -3.759 0.406) 5.741 8.335 ( -3.637 -9.504 4.732) 11.222 9.229 ( -13.605 0.548 1.001) 13.652 10.243 ( -10.554 -8.458 0.084) 13.525 10.793 ( -1.435 -7.753 -5.683) 9.719 11.287 ( -3.230 9.624 -0.148) 10.152 14.165 ( -5.842 0.855 8.727) 10.537 15.225 ( 4.481 -9.674 -8.901) 13.889 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 0.228 12.250 -1.098) 12.301 3.149 ( 14.019 7.008 -2.275) 15.837 3.563 ( 5.176 7.498 0.298) 9.116 3.878 ( -2.846 8.335 -17.792) 19.853 5.390 ( 3.702 5.212 2.291) 6.791 5.925 ( 8.042 2.180 11.817) 14.459 6.016 ( -3.262 -3.796 -7.898) 9.350 6.197 ( -4.018 -0.770 0.921) 4.193 6.305 ( 3.617 4.799 -2.217) 6.405 7.407 ( 3.720 -3.101 5.973) 7.690 7.962 ( 1.249 -11.100 6.106) 12.730 8.263 ( -0.045 -2.643 5.084) 5.730 9.052 ( -10.958 5.058 0.709) 12.090 10.003 ( -7.610 -9.426 0.479) 12.124 10.675 ( -1.899 -6.642 -6.699) 9.623 11.327 ( -6.172 14.850 0.033) 16.082 14.097 ( -3.176 -2.848 4.683) 6.335 15.162 ( 2.676 -10.556 -5.898) 12.385 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( -3.768 8.054 -2.942) 9.365 3.365 ( 7.450 2.515 -11.179) 13.667 3.741 ( 6.077 10.225 -2.411) 12.136 3.817 ( -7.521 9.580 -8.233) 14.701 5.367 ( -10.943 -3.002 -7.355) 13.523 5.728 ( -4.890 -3.650 -5.445) 8.178 6.138 ( -0.452 -3.044 -0.395) 3.103 6.175 ( 4.976 1.061 7.267) 8.871 6.448 ( 7.654 2.622 3.110) 8.668 7.558 ( 7.141 2.155 11.754) 13.921 7.899 ( 4.494 -13.848 9.129) 17.184 8.288 ( 1.875 0.316 3.555) 4.032 8.975 ( -9.024 12.880 1.474) 15.796 9.830 ( -1.120 -10.971 1.172) 11.091 10.563 ( -1.707 -5.026 -8.078) 9.665 11.361 ( -9.238 18.555 0.219) 20.728 14.050 ( 0.958 -4.902 1.697) 5.275 15.080 ( 1.913 -10.791 -3.567) 11.525 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 0.000 16.914 10.752) 20.042 2.042 ( 0.000 20.071 22.947) 30.487 2.659 ( 0.000 15.686 0.135) 15.686 2.979 ( -0.000 9.943 -6.546) 11.905 3.747 ( 0.000 30.515 11.791) 32.714 5.096 ( -0.000 9.680 -16.400) 19.044 6.156 ( -0.000 -3.235 -0.780) 3.328 6.309 ( -0.000 -2.917 -1.223) 3.163 7.150 ( -0.000 -15.892 -10.574) 19.088 7.605 ( 0.000 5.990 2.012) 6.319 8.345 ( 0.000 -31.243 13.450) 34.015 8.861 ( -0.000 0.857 -3.032) 3.151 9.911 ( -0.000 -11.283 -1.172) 11.344 10.887 ( -0.000 -6.969 -4.661) 8.384 11.124 ( -0.000 -6.385 -3.906) 7.485 11.167 ( 0.000 -0.412 0.782) 0.884 13.656 ( -0.000 46.409 -2.860) 46.497 15.358 ( 0.000 -21.094 1.967) 21.185 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 5.070 15.738 9.340) 18.991 2.304 ( 2.380 16.229 20.893) 26.563 2.913 ( 10.244 17.253 -10.148) 22.485 3.129 ( 7.679 12.206 -6.033) 15.632 4.168 ( 10.820 27.748 13.434) 32.673 5.168 ( 0.951 14.140 -13.700) 19.711 6.134 ( -0.035 -0.675 -1.106) 1.296 6.220 ( -5.190 -4.153 -1.513) 6.817 6.887 ( -9.483 -10.013 -5.229) 14.749 7.654 ( -0.174 3.299 1.992) 3.857 8.121 ( 1.211 -26.625 10.735) 28.733 8.797 ( -7.327 -0.219 -7.740) 10.660 9.775 ( -2.162 -10.561 -0.704) 10.803 10.768 ( -3.845 -8.217 -3.172) 9.611 10.983 ( -4.684 -9.025 -2.536) 10.480 11.206 ( 2.959 0.773 -0.006) 3.059 14.108 ( 6.088 31.507 0.704) 32.098 15.160 ( -0.007 -19.539 0.280) 19.541 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 8.494 12.675 9.539) 17.994 2.596 ( 5.629 18.693 12.790) 23.339 3.165 ( 8.786 8.759 -10.427) 16.207 3.425 ( 13.192 15.932 -9.276) 22.670 4.689 ( 16.802 21.703 12.817) 30.292 5.295 ( 1.388 15.134 -9.965) 18.173 6.094 ( -2.712 -0.742 2.246) 3.599 6.159 ( 1.488 0.257 -1.419) 2.072 6.649 ( -12.123 -1.696 3.172) 12.645 7.693 ( 3.971 -5.248 3.224) 7.329 7.915 ( -2.425 -17.941 -0.111) 18.104 8.570 ( -11.304 -6.167 -8.525) 15.443 9.627 ( -6.511 -6.580 1.003) 9.311 10.586 ( -7.773 -7.848 -0.720) 11.069 10.820 ( -1.693 -10.539 -3.203) 11.144 11.276 ( 2.847 3.962 -0.302) 4.889 14.387 ( -3.041 16.058 8.286) 18.324 15.009 ( 4.738 -16.603 -6.680) 18.513 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 10.636 10.680 5.320) 15.984 2.906 ( 3.822 20.475 7.060) 21.993 3.333 ( 8.247 4.554 -7.334) 11.939 3.747 ( 10.389 15.170 -11.033) 21.443 5.175 ( 13.758 15.143 6.679) 21.522 5.439 ( 5.489 10.460 -0.808) 11.840 6.123 ( 1.681 2.986 3.927) 5.212 6.203 ( 3.024 1.434 -0.434) 3.375 6.464 ( -11.423 0.537 6.555) 13.181 7.553 ( -7.857 -16.726 0.088) 18.480 7.827 ( 5.893 -4.669 -6.241) 9.771 8.313 ( -6.743 -9.674 -2.628) 12.082 9.440 ( -10.168 -3.235 2.441) 10.946 10.360 ( -10.846 -6.829 1.028) 12.858 10.706 ( 0.193 -8.533 -4.463) 9.632 11.380 ( 2.685 8.635 -0.386) 9.051 14.378 ( -12.188 4.835 10.822) 17.001 14.953 ( 8.970 -15.178 -9.894) 20.217 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( 10.130 9.039 -2.717) 13.846 3.125 ( -1.058 16.307 3.973) 16.817 3.511 ( 9.168 7.106 -3.794) 12.204 3.965 ( 2.077 15.528 -10.369) 18.787 5.410 ( 2.306 9.442 -0.263) 9.723 5.738 ( 16.591 3.774 9.676) 19.574 6.102 ( -8.130 -2.332 -4.632) 9.643 6.270 ( 2.749 1.130 -0.167) 2.977 6.322 ( -8.131 -0.282 5.838) 10.014 7.339 ( -0.352 -6.159 2.673) 6.723 7.840 ( 3.914 -9.099 -1.716) 10.053 8.172 ( 1.073 -8.592 -0.305) 8.664 9.279 ( -8.820 2.337 3.886) 9.918 10.107 ( -12.372 -6.278 1.978) 14.014 10.618 ( -0.964 -5.587 -5.817) 8.122 11.525 ( 1.054 14.916 -0.260) 14.955 14.211 ( -11.803 -1.918 6.989) 13.850 14.916 ( 7.921 -16.516 -7.277) 19.710 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( -1.346 7.841 -7.315) 10.807 3.284 ( 4.998 9.390 1.615) 10.759 3.725 ( 6.045 12.060 -5.911) 14.728 4.056 ( -5.853 17.464 -6.185) 19.429 5.478 ( -3.795 2.703 -1.263) 4.827 5.798 ( -13.334 -6.373 -11.263) 18.581 6.019 ( 11.669 -2.124 5.768) 13.189 6.208 ( -5.125 -1.407 7.914) 9.533 6.355 ( 5.550 -0.471 1.078) 5.673 7.450 ( 10.604 1.352 10.464) 14.959 7.778 ( 0.666 -10.161 2.474) 10.479 8.154 ( 6.025 -8.542 -3.073) 10.895 9.245 ( -4.769 11.452 5.167) 13.439 9.851 ( -11.321 -7.056 2.898) 13.651 10.525 ( -2.256 -3.472 -7.311) 8.402 11.684 ( -3.620 21.434 0.116) 21.738 14.029 ( -6.145 -7.057 3.210) 9.892 14.853 ( 6.856 -17.703 -4.499) 19.511 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 0.000 15.032 5.356) 15.957 2.473 ( 0.000 9.895 19.882) 22.208 3.005 ( -0.000 23.076 -10.689) 25.432 3.153 ( -0.000 11.449 -4.644) 12.355 4.393 ( 0.000 27.256 12.385) 29.938 5.279 ( -0.000 19.279 -12.835) 23.161 6.124 ( -0.000 -0.218 -0.802) 0.831 6.236 ( -0.000 -3.529 -1.009) 3.670 6.749 ( -0.000 -15.644 -13.473) 20.646 7.777 ( 0.000 9.308 3.796) 10.052 7.896 ( 0.000 -24.346 13.249) 27.717 8.849 ( -0.000 -0.412 -7.139) 7.150 9.631 ( -0.000 -15.663 -3.166) 15.980 10.693 ( -0.000 -10.310 -4.223) 11.141 10.954 ( -0.000 -8.784 -0.815) 8.822 11.170 ( 0.000 -0.224 1.529) 1.545 14.334 ( -0.000 25.258 -5.681) 25.889 15.000 ( 0.000 -16.795 8.488) 18.818 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 4.846 13.064 6.318) 15.300 2.670 ( 6.556 10.588 11.593) 17.015 3.172 ( 0.334 15.572 -8.009) 17.514 3.353 ( 10.197 14.328 -4.753) 18.217 4.742 ( 7.521 22.789 10.977) 26.390 5.434 ( -0.807 21.328 -11.340) 24.169 6.128 ( 0.947 -0.897 1.058) 1.680 6.150 ( -3.969 -2.071 0.072) 4.478 6.627 ( 4.249 -10.972 -8.684) 14.624 7.679 ( -4.611 -14.041 10.390) 18.066 7.851 ( -2.972 2.672 1.596) 4.304 8.685 ( -12.012 -5.464 -9.683) 16.368 9.534 ( 5.185 -12.960 -2.158) 14.125 10.558 ( -1.584 -11.500 -4.268) 12.368 10.796 ( -6.688 -9.010 2.084) 11.413 11.235 ( 5.510 1.823 0.620) 5.837 14.516 ( 5.056 8.207 -9.802) 13.748 14.879 ( -5.481 -7.776 12.958) 16.076 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 6.770 11.191 6.575) 14.639 2.979 ( 12.569 13.965 4.717) 19.372 3.274 ( 0.547 9.311 -6.137) 11.165 3.674 ( 12.673 14.185 -3.826) 19.403 5.125 ( 11.506 15.722 8.508) 21.259 5.556 ( -3.395 17.730 -8.902) 20.127 6.137 ( 1.280 2.155 2.799) 3.757 6.152 ( 3.099 -2.307 4.302) 5.782 6.561 ( -0.500 -7.296 -2.193) 7.635 7.506 ( -4.011 -12.505 2.842) 13.436 7.791 ( -6.377 2.614 -1.696) 7.098 8.367 ( -11.948 -8.631 -7.736) 16.646 9.476 ( -0.015 -8.591 -0.924) 8.640 10.401 ( -2.866 -11.110 -3.023) 11.865 10.635 ( -3.262 -7.282 2.514) 8.366 11.376 ( 6.433 6.597 -0.045) 9.215 14.590 ( 7.501 -7.288 -9.766) 14.309 14.727 ( -13.058 -1.394 11.981) 17.776 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 7.586 9.862 2.405) 12.672 3.319 ( -2.345 13.259 2.364) 13.670 3.370 ( 15.075 9.313 -3.979) 18.161 3.995 ( 9.851 14.826 -3.160) 18.079 5.446 ( 8.431 9.151 3.347) 12.885 5.635 ( 0.943 10.524 -1.559) 10.681 6.144 ( -0.033 -6.138 2.411) 6.595 6.229 ( 1.567 1.362 2.634) 3.353 6.450 ( -5.285 -4.860 1.904) 7.428 7.336 ( -4.396 -3.811 -2.510) 6.336 7.708 ( -1.439 -4.115 -2.503) 5.026 8.129 ( -5.207 -7.287 -1.997) 9.176 9.384 ( -2.899 -2.881 0.813) 4.167 10.217 ( -6.929 -9.470 -0.465) 11.743 10.566 ( 0.115 -3.825 -0.338) 3.841 11.580 ( 7.232 12.436 -0.215) 14.388 14.490 ( -18.142 -0.741 8.412) 20.011 14.575 ( 8.471 -16.814 -7.610) 20.307 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 5.214 8.419 -3.811) 10.611 3.359 ( -0.602 4.698 3.161) 5.694 3.729 ( 9.829 18.999 -3.447) 21.667 4.247 ( 2.735 17.237 -2.640) 17.651 5.560 ( -1.945 5.935 -1.041) 6.331 5.813 ( 11.210 -0.386 4.275) 12.003 5.941 ( -13.963 -8.920 -7.758) 18.295 6.247 ( 2.446 -4.836 3.817) 6.628 6.329 ( -5.349 -2.689 3.421) 6.895 7.359 ( 5.941 4.222 4.847) 8.753 7.648 ( 2.259 -8.208 -2.553) 8.888 8.019 ( -0.441 -6.604 -0.677) 6.653 9.373 ( 0.053 5.557 2.573) 6.124 9.989 ( -9.996 -8.445 1.371) 13.158 10.530 ( -2.009 -0.269 -3.036) 3.651 11.850 ( 6.700 18.949 -0.054) 20.099 14.181 ( -17.510 -4.990 4.538) 18.764 14.512 ( 8.593 -20.823 -4.939) 23.061 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 0.000 11.974 2.984) 12.340 2.734 ( 0.000 8.666 9.404) 12.788 3.337 ( -0.000 10.217 -3.647) 10.848 3.348 ( -0.000 16.029 -1.961) 16.149 4.928 ( 0.000 20.846 8.081) 22.358 5.631 ( -0.000 24.336 -11.168) 26.776 6.099 ( 0.000 -4.680 3.917) 6.103 6.175 ( 0.000 -2.404 0.497) 2.455 6.424 ( -0.000 -9.368 -10.209) 13.856 7.594 ( 0.000 -13.233 6.310) 14.661 7.981 ( 0.000 8.882 2.571) 9.246 8.733 ( -0.000 -5.558 -10.156) 11.577 9.299 ( -0.000 -15.937 -2.746) 16.172 10.436 ( -0.000 -12.893 -4.650) 13.706 10.804 ( 0.000 -7.731 3.977) 8.694 11.173 ( 0.000 -0.529 1.214) 1.324 14.422 ( -0.000 -5.327 -12.332) 13.433 14.995 ( 0.000 4.244 16.086) 16.637 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 5.973 10.756 4.998) 13.280 2.899 ( 7.154 9.278 3.337) 12.182 3.390 ( -1.860 10.407 -1.399) 10.664 3.586 ( 10.581 10.467 1.034) 14.919 5.169 ( 4.511 15.803 5.027) 17.186 5.786 ( -4.591 21.401 -10.794) 24.405 6.066 ( 1.872 -9.479 7.717) 12.365 6.158 ( 0.837 1.819 3.286) 3.848 6.389 ( 6.348 -7.667 -7.299) 12.344 7.488 ( -3.210 -5.746 0.662) 6.615 7.990 ( -8.426 6.498 0.683) 10.663 8.479 ( -13.979 -8.383 -9.455) 18.844 9.273 ( 10.374 -11.755 -2.952) 15.953 10.282 ( -1.121 -13.387 -4.198) 14.074 10.676 ( -6.406 -6.763 5.999) 11.080 11.279 ( 10.188 2.288 0.517) 10.454 14.350 ( 3.609 -9.493 -9.357) 13.809 15.006 ( -9.346 3.646 12.437) 15.979 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 5.255 10.036 6.633) 13.127 3.172 ( 14.330 7.101 -4.017) 16.490 3.472 ( 0.149 11.618 3.194) 12.050 3.901 ( 14.593 9.411 2.422) 17.533 5.395 ( 6.703 8.588 2.565) 11.192 5.824 ( -7.024 15.092 -7.345) 18.195 6.027 ( 3.033 -13.840 10.065) 17.379 6.250 ( 1.982 5.003 3.216) 6.269 6.381 ( 3.553 -7.657 -5.822) 10.254 7.384 ( -5.068 1.424 -6.042) 8.014 7.839 ( -12.839 0.868 -0.899) 12.900 8.182 ( -9.614 -5.343 -2.768) 11.342 9.316 ( 5.941 -5.649 -3.361) 8.860 10.134 ( 0.469 -13.606 -3.517) 14.061 10.559 ( -2.968 -4.501 6.024) 8.084 11.524 ( 12.404 8.460 0.100) 15.015 14.280 ( 4.068 -13.398 -6.713) 15.528 14.837 ( -17.360 0.564 8.428) 19.306 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 0.000 8.013 2.605) 8.426 2.972 ( 0.000 11.040 6.815) 12.974 3.489 ( -0.000 8.097 -3.485) 8.815 3.580 ( 0.000 6.396 7.278) 9.690 5.286 ( 0.000 12.686 1.543) 12.779 5.965 ( 0.000 -14.285 12.435) 18.939 6.011 ( -0.000 21.579 -12.601) 24.988 6.153 ( 0.000 -0.961 2.182) 2.385 6.262 ( -0.000 -2.513 -3.381) 4.213 7.492 ( -0.000 1.323 -3.637) 3.870 8.120 ( -0.000 4.733 -1.774) 5.054 8.516 ( -0.000 -8.238 -13.137) 15.507 9.019 ( 0.000 -11.768 0.551) 11.781 10.168 ( -0.000 -11.483 -3.076) 11.888 10.704 ( 0.000 -6.703 6.713) 9.486 11.167 ( 0.000 -0.572 0.524) 0.775 14.225 ( -0.000 -6.266 -7.104) 9.473 15.150 ( 0.000 1.385 10.207) 10.301 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 9.184 5.865 3.792) 11.538 3.115 ( 1.852 10.949 5.252) 12.284 3.563 ( 1.099 8.281 0.552) 8.372 3.750 ( 11.268 3.587 7.006) 13.745 5.402 ( 2.463 5.998 0.015) 6.484 5.876 ( 1.547 -15.918 14.217) 21.398 6.053 ( -6.227 11.577 -7.382) 15.076 6.227 ( 4.328 -1.996 -5.585) 7.342 6.285 ( 2.011 6.647 1.448) 7.093 7.479 ( -3.654 6.190 -7.992) 10.749 8.030 ( -11.642 -1.771 -6.785) 13.591 8.306 ( -8.560 -2.860 -4.077) 9.904 9.068 ( 13.208 -7.121 -2.567) 15.223 10.017 ( -3.506 -11.354 -2.523) 12.148 10.604 ( -5.013 -5.559 7.516) 10.608 11.326 ( 15.990 2.227 0.174) 16.145 14.146 ( -0.833 -6.199 -4.989) 8.000 15.096 ( -10.094 -1.067 7.320) 12.514 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 0.000 3.542 2.880) 4.565 3.254 ( 0.000 11.347 12.097) 16.586 3.601 ( -0.000 6.033 -3.593) 7.021 3.703 ( 0.000 0.871 10.743) 10.778 5.401 ( 0.000 -3.200 2.337) 3.963 5.778 ( 0.000 -10.679 11.732) 15.864 6.159 ( 0.000 -0.444 3.060) 3.092 6.171 ( -0.000 4.176 -8.916) 9.845 6.362 ( -0.000 12.386 -3.315) 12.822 7.545 ( -0.000 7.065 -9.943) 12.197 8.141 ( -0.000 0.741 -5.832) 5.879 8.280 ( -0.000 -5.096 -15.489) 16.306 8.865 ( 0.000 -6.054 3.931) 7.218 9.977 ( -0.000 -6.741 -0.837) 6.793 10.632 ( 0.000 -5.712 7.580) 9.491 11.160 ( 0.000 -0.305 0.031) 0.307 14.111 ( -0.000 -2.121 -3.157) 3.804 15.184 ( 0.000 -2.789 5.483) 6.151 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 0.000 -0.000 20.673) 20.673 1.364 ( 0.000 -0.000 20.673) 20.673 2.530 ( 0.000 -0.000 42.684) 42.684 2.811 ( -0.000 0.000 -8.225) 8.225 2.811 ( -0.000 0.000 -8.225) 8.225 5.027 ( -0.000 0.000 -20.955) 20.955 6.354 ( 0.000 -0.000 0.179) 0.179 6.354 ( 0.000 -0.000 0.179) 0.179 7.536 ( -0.000 0.000 -2.121) 2.121 7.536 ( -0.000 0.000 -2.121) 2.121 8.582 ( -0.000 0.000 -2.649) 2.649 10.092 ( 0.000 -0.000 2.695) 2.695 10.092 ( 0.000 -0.000 2.695) 2.695 10.783 ( 0.000 -0.000 0.976) 0.976 11.204 ( -0.000 0.000 -1.372) 1.372 11.204 ( -0.000 0.000 -1.372) 1.372 11.870 ( 0.000 -0.000 1.626) 1.626 15.860 ( -0.000 0.000 -0.769) 0.769 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 8.656 4.997 18.252) 20.810 1.677 ( 15.428 8.907 19.306) 26.269 2.561 ( 2.552 1.474 11.827) 12.189 2.860 ( 5.649 3.262 -7.708) 10.098 3.160 ( 23.695 13.680 13.361) 30.449 4.972 ( 1.455 0.840 -19.885) 19.956 6.288 ( -5.485 -3.167 0.140) 6.335 6.329 ( -1.688 -0.974 0.207) 1.960 7.275 ( -20.860 -12.044 1.526) 24.135 7.599 ( 4.472 2.582 -2.559) 5.764 8.629 ( 3.659 2.113 -2.610) 4.966 9.375 ( -36.560 -21.108 7.856) 42.941 10.001 ( -7.101 -4.100 3.074) 8.757 10.971 ( 0.360 0.208 -5.371) 5.388 11.160 ( -2.272 -1.312 -1.773) 3.166 11.220 ( 0.745 0.430 -1.558) 1.780 12.604 ( 49.569 28.618 -1.588) 57.259 15.737 ( -9.434 -5.447 -0.958) 10.936 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 14.798 8.543 13.431) 21.734 2.050 ( 11.354 6.555 22.652) 26.173 2.828 ( 19.680 11.362 -9.230) 24.527 2.993 ( 8.077 4.663 -6.476) 11.355 3.805 ( 28.817 16.638 16.181) 37.001 4.979 ( 4.999 2.886 -15.662) 16.692 6.161 ( -5.231 -3.020 -0.364) 6.052 6.286 ( -2.089 -1.206 -0.281) 2.429 6.756 ( -23.690 -13.677 7.396) 28.337 7.712 ( 6.309 3.643 -2.127) 7.589 8.671 ( -1.391 -0.803 3.108) 3.499 8.760 ( -21.038 -12.146 -3.593) 24.557 9.807 ( -10.998 -6.349 2.757) 12.995 10.855 ( -7.819 -4.514 -2.706) 9.425 11.091 ( -3.224 -1.861 -3.071) 4.826 11.224 ( 0.011 0.006 -1.343) 1.343 13.562 ( 33.472 19.325 1.825) 38.693 15.504 ( -9.301 -5.370 -4.936) 11.820 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 15.478 8.936 8.684) 19.870 2.363 ( 11.417 6.592 18.215) 22.485 3.158 ( 8.142 4.701 -4.567) 10.452 3.259 ( 21.157 12.215 -18.148) 30.433 4.494 ( 27.737 16.014 12.607) 34.420 5.102 ( 9.766 5.638 -8.022) 13.839 6.079 ( -1.773 -1.024 1.383) 2.471 6.240 ( -1.738 -1.003 -1.185) 2.330 6.376 ( -12.484 -7.208 10.120) 17.613 7.855 ( 6.693 3.864 -0.685) 7.759 8.267 ( -21.000 -12.124 -7.821) 25.479 8.638 ( -4.285 -2.474 3.760) 6.214 9.547 ( -12.739 -7.355 1.686) 14.806 10.640 ( -10.680 -6.166 -0.837) 12.360 11.000 ( -3.891 -2.246 -3.787) 5.876 11.212 ( -0.692 -0.399 -0.917) 1.216 14.068 ( 11.159 6.443 9.727) 16.145 15.336 ( -2.960 -1.709 -11.259) 11.766 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 12.700 7.333 4.105) 15.229 2.684 ( 13.127 7.579 9.914) 18.112 3.317 ( 7.122 4.112 -1.803) 8.419 3.587 ( 13.575 7.838 -20.531) 25.831 5.028 ( 16.473 9.511 0.606) 19.032 5.396 ( 17.939 10.357 8.924) 22.555 6.093 ( 0.949 0.548 3.908) 4.059 6.203 ( -1.027 -0.593 -2.197) 2.497 6.251 ( -2.205 -1.273 6.593) 7.067 7.778 ( -18.907 -10.916 -10.821) 24.366 7.992 ( 5.234 3.022 1.659) 6.267 8.525 ( -7.594 -4.385 9.480) 12.914 9.272 ( -11.894 -6.867 -0.156) 13.735 10.390 ( -11.388 -6.575 0.011) 13.150 10.893 ( -4.529 -2.615 -4.750) 7.065 11.191 ( -0.953 -0.550 -0.488) 1.203 14.189 ( -1.323 -0.764 10.814) 10.921 15.281 ( 0.506 0.292 -12.133) 12.147 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 7.950 4.590 -0.246) 9.183 3.000 ( 13.506 7.798 0.380) 15.600 3.464 ( 6.241 3.603 1.498) 7.360 3.716 ( 4.381 2.529 -18.850) 19.517 5.291 ( 9.069 5.236 0.405) 10.480 5.865 ( 17.157 9.906 16.034) 25.487 6.059 ( -5.588 -3.226 -6.195) 8.945 6.178 ( -0.519 -0.299 -2.894) 2.955 6.249 ( 0.122 0.070 -0.294) 0.326 7.473 ( -4.471 -2.582 -0.156) 5.165 8.090 ( 2.663 1.538 4.197) 5.204 8.382 ( -8.228 -4.751 13.431) 16.452 9.034 ( -8.947 -5.166 -2.342) 10.593 10.152 ( -9.756 -5.633 0.318) 11.270 10.767 ( -5.098 -2.943 -6.051) 8.442 11.171 ( -0.674 -0.389 -0.191) 0.802 14.155 ( -3.386 -1.955 6.874) 7.908 15.246 ( -0.856 -0.494 -8.794) 8.850 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 0.000 12.782 13.213) 18.384 1.678 ( 0.000 20.397 18.548) 27.569 2.576 ( 0.000 -3.787 8.997) 9.762 2.803 ( -0.000 5.568 -6.910) 8.874 3.224 ( 0.000 27.488 15.331) 31.474 4.914 ( -0.000 3.392 -19.725) 20.015 6.267 ( 0.000 -7.119 0.749) 7.159 6.348 ( -0.000 -1.356 -0.514) 1.450 7.405 ( -0.000 -12.130 -4.273) 12.861 7.528 ( 0.000 2.313 0.153) 2.318 8.617 ( -0.000 3.052 -1.980) 3.638 9.326 ( 0.000 -47.076 9.671) 48.059 10.072 ( 0.000 -5.406 0.407) 5.422 10.948 ( -0.000 0.687 -4.299) 4.353 11.178 ( -0.000 -0.662 -0.053) 0.664 11.192 ( -0.000 -1.920 -2.678) 3.295 12.604 ( -0.000 57.986 -1.421) 58.004 15.714 ( 0.000 -14.098 0.188) 14.099 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 4.356 16.882 10.867) 20.544 2.056 ( 8.602 16.722 20.263) 27.644 2.644 ( 8.997 6.510 -5.792) 12.525 2.914 ( 6.443 7.970 -5.785) 11.769 3.685 ( 15.744 26.398 15.928) 34.618 4.916 ( 2.006 6.897 -16.480) 17.978 6.190 ( -1.980 -5.234 0.200) 5.600 6.292 ( -3.226 -3.363 -0.833) 4.734 7.073 ( -19.689 -10.683 0.669) 22.410 7.610 ( 5.588 1.269 -1.624) 5.956 8.627 ( 1.510 -8.529 3.322) 9.277 8.862 ( -12.184 -22.034 0.471) 25.183 9.938 ( -7.561 -6.169 0.907) 9.801 10.890 ( -3.337 -5.276 -3.082) 6.962 11.104 ( -3.564 -4.272 -1.619) 5.794 11.202 ( 1.633 -0.523 -1.097) 2.035 13.368 ( 23.224 43.898 -0.993) 49.672 15.512 ( -5.275 -16.050 -0.786) 16.913 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 9.366 16.542 7.555) 20.456 2.364 ( 5.629 10.901 20.710) 24.071 2.946 ( 17.867 10.068 -15.322) 25.600 3.114 ( 8.843 12.316 -6.041) 16.321 4.297 ( 22.148 22.664 12.641) 34.117 5.016 ( 5.752 10.059 -10.277) 15.489 6.113 ( -3.013 -1.286 0.133) 3.278 6.204 ( -0.842 -5.395 -0.475) 5.481 6.682 ( -19.619 -1.630 7.242) 20.976 7.727 ( 8.615 -0.244 -2.106) 8.872 8.367 ( -11.585 -23.866 0.195) 26.530 8.642 ( -3.651 -3.469 -2.806) 5.766 9.731 ( -11.728 -4.230 1.890) 12.610 10.729 ( -7.773 -7.015 -0.807) 10.501 10.986 ( -2.683 -7.392 -2.722) 8.321 11.223 ( 0.717 1.402 -0.833) 1.782 14.025 ( 13.718 23.517 5.396) 27.755 15.277 ( -3.085 -13.202 -6.515) 15.042 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 9.633 14.767 3.348) 17.946 2.628 ( 7.174 10.581 13.206) 18.380 3.213 ( 10.692 5.063 -6.780) 13.635 3.413 ( 12.375 15.222 -13.046) 23.560 4.872 ( 18.012 17.222 2.716) 25.069 5.245 ( 13.050 10.298 2.597) 16.825 6.097 ( 0.711 1.045 3.293) 3.527 6.174 ( 1.323 -1.241 -1.505) 2.357 6.445 ( -13.658 3.082 8.535) 16.398 7.862 ( 6.654 -4.448 0.936) 8.059 7.913 ( -13.498 -14.943 -11.193) 23.039 8.527 ( -2.089 -11.536 4.747) 12.648 9.487 ( -14.779 -1.364 2.203) 15.004 10.504 ( -10.550 -7.584 1.002) 13.031 10.862 ( -1.676 -8.604 -4.266) 9.748 11.249 ( -0.838 4.812 -0.600) 4.921 14.291 ( -2.359 7.951 11.565) 14.231 15.148 ( 4.313 -8.980 -12.660) 16.109 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 6.113 13.319 -1.740) 14.758 2.887 ( 8.609 9.329 5.008) 13.646 3.397 ( 8.032 4.640 -1.756) 9.440 3.655 ( 5.180 12.442 -12.807) 18.592 5.208 ( 9.032 10.679 -2.746) 14.253 5.668 ( 20.695 7.907 12.601) 25.487 6.111 ( -3.536 -0.293 -1.497) 3.851 6.195 ( 0.770 2.791 -3.865) 4.829 6.322 ( -7.960 2.158 6.122) 10.272 7.511 ( -8.442 -10.017 -3.880) 13.663 7.988 ( 7.921 -4.658 1.034) 9.247 8.395 ( -1.147 -13.444 7.221) 15.303 9.246 ( -14.900 2.121 2.315) 15.227 10.252 ( -10.938 -7.901 1.907) 13.627 10.735 ( -1.817 -8.276 -5.900) 10.325 11.284 ( -3.116 9.711 -0.392) 10.206 14.256 ( -7.856 -0.231 9.353) 12.217 15.125 ( 6.020 -8.108 -11.132) 15.030 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 0.000 15.317 5.025) 16.120 2.265 ( 0.000 23.370 21.171) 31.534 2.613 ( -0.000 8.074 -8.613) 11.806 2.925 ( -0.000 10.346 -3.815) 11.027 3.884 ( 0.000 29.711 14.079) 32.878 4.934 ( -0.000 11.401 -15.113) 18.932 6.152 ( -0.000 -4.238 -0.112) 4.239 6.298 ( -0.000 -3.106 -1.023) 3.270 7.044 ( -0.000 -18.956 -10.631) 21.734 7.629 ( 0.000 6.968 2.742) 7.488 8.466 ( 0.000 -25.986 10.977) 28.209 8.832 ( -0.000 -4.312 -2.843) 5.165 9.894 ( -0.000 -12.179 -2.267) 12.388 10.850 ( -0.000 -6.950 -2.706) 7.458 11.092 ( -0.000 -6.086 -2.521) 6.588 11.178 ( 0.000 -0.025 1.344) 1.344 13.629 ( -0.000 46.414 -2.548) 46.484 15.382 ( 0.000 -19.586 2.922) 19.803 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 6.364 15.556 3.663) 17.202 2.513 ( 0.582 11.923 19.356) 22.741 2.787 ( 9.130 18.355 -13.627) 24.616 3.083 ( 6.966 12.140 -2.825) 14.278 4.301 ( 10.871 26.984 11.809) 31.397 5.036 ( 2.145 15.239 -11.799) 19.392 6.124 ( 0.149 -1.127 -0.871) 1.432 6.208 ( -5.050 -3.942 -0.904) 6.470 6.827 ( -2.124 -12.837 -6.644) 14.610 7.677 ( -2.175 5.787 2.491) 6.665 8.229 ( -2.171 -27.316 10.667) 29.406 8.720 ( -8.538 -1.311 -7.435) 11.397 9.765 ( -0.527 -11.250 -1.329) 11.340 10.741 ( -2.915 -8.595 -2.031) 9.300 10.967 ( -5.076 -8.212 -0.710) 9.680 11.209 ( 2.228 1.154 0.450) 2.549 14.102 ( 9.564 30.811 -1.885) 32.316 15.177 ( -3.969 -17.357 3.019) 18.059 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 8.259 13.539 3.203) 16.179 2.718 ( 4.631 13.825 9.338) 17.314 3.059 ( 9.469 11.078 -8.479) 16.861 3.361 ( 10.470 16.211 -3.251) 19.570 4.795 ( 15.097 21.642 6.758) 27.239 5.209 ( 4.808 14.693 -5.674) 16.468 6.117 ( -1.168 0.495 2.437) 2.748 6.141 ( 1.425 0.539 -2.131) 2.620 6.671 ( -6.542 -4.346 1.125) 7.934 7.715 ( 2.913 0.437 1.163) 3.166 7.918 ( -9.385 -21.886 0.419) 23.817 8.508 ( -7.851 -8.027 -3.440) 11.743 9.634 ( -5.114 -7.201 0.365) 8.840 10.581 ( -6.069 -8.399 -0.263) 10.366 10.798 ( -3.789 -9.355 -1.073) 10.150 11.274 ( 2.583 4.111 -0.104) 4.856 14.448 ( 3.568 15.301 3.387) 16.072 14.959 ( -2.599 -14.837 -2.852) 15.331 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 7.970 11.007 -1.117) 13.635 2.974 ( 3.171 18.258 5.363) 19.292 3.267 ( 10.010 4.571 -4.532) 11.901 3.672 ( 7.789 17.100 -3.633) 19.139 5.190 ( 8.034 16.420 -3.621) 18.635 5.472 ( 14.256 8.402 6.995) 17.966 6.146 ( 0.204 2.101 0.686) 2.219 6.188 ( 1.829 3.251 -2.619) 4.558 6.524 ( -9.274 -1.006 5.080) 10.623 7.539 ( -10.723 -14.999 -2.981) 18.678 7.787 ( 7.313 -4.662 -1.404) 8.786 8.313 ( -3.530 -12.150 2.805) 12.960 9.462 ( -8.945 -3.565 1.870) 9.809 10.375 ( -9.949 -7.197 2.080) 12.454 10.666 ( -1.700 -7.565 -3.653) 8.571 11.377 ( 2.630 8.680 -0.209) 9.072 14.486 ( -12.658 3.972 10.757) 17.080 14.846 ( 8.680 -13.656 -11.461) 19.829 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 0.000 15.056 0.381) 15.060 2.613 ( 0.000 5.896 3.575) 6.895 2.943 ( 0.000 25.816 2.750) 25.962 3.121 ( -0.000 11.160 -1.557) 11.268 4.511 ( 0.000 26.285 10.236) 28.208 5.151 ( -0.000 20.046 -11.910) 23.317 6.112 ( -0.000 0.341 -1.484) 1.522 6.230 ( -0.000 -3.160 -0.247) 3.170 6.615 ( -0.000 -15.380 -13.225) 20.284 7.813 ( 0.000 9.343 3.275) 9.900 8.030 ( 0.000 -25.760 13.521) 29.093 8.774 ( -0.000 -1.818 -7.682) 7.894 9.599 ( -0.000 -15.817 -3.231) 16.144 10.658 ( -0.000 -11.145 -2.702) 11.468 10.954 ( 0.000 -6.980 0.800) 7.026 11.186 ( 0.000 -0.296 1.575) 1.603 14.259 ( -0.000 20.433 -8.766) 22.234 15.102 ( 0.000 -11.017 11.435) 15.879 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 6.710 14.060 1.279) 15.631 2.721 ( 5.597 8.763 -3.161) 10.868 3.146 ( -1.620 16.248 4.037) 16.820 3.337 ( 9.712 15.016 2.220) 18.020 4.840 ( 7.378 21.498 7.779) 24.023 5.320 ( 0.103 21.258 -10.818) 23.852 6.123 ( 0.894 1.047 -1.772) 2.244 6.159 ( -2.862 -0.652 1.405) 3.254 6.535 ( 7.633 -10.711 -9.366) 16.147 7.792 ( -5.408 -15.192 12.023) 20.115 7.864 ( -5.028 0.767 0.819) 5.152 8.594 ( -11.677 -6.345 -8.311) 15.675 9.511 ( 6.054 -13.331 -2.402) 14.837 10.523 ( -1.223 -12.411 -2.746) 12.770 10.824 ( -6.746 -7.060 3.314) 10.312 11.242 ( 4.952 1.792 0.699) 5.313 14.407 ( 7.359 3.559 -11.571) 14.167 15.016 ( -8.405 -2.586 13.836) 16.394 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -0.000 12.969 -0.582) 12.982 2.760 ( -0.000 10.975 -3.978) 11.674 3.313 ( -0.000 9.420 -1.035) 9.476 3.408 ( 0.000 15.767 13.615) 20.832 4.998 ( 0.000 18.433 5.687) 19.290 5.510 ( -0.000 24.571 -12.559) 27.595 6.116 ( -0.000 -0.489 -0.440) 0.658 6.185 ( 0.000 -1.794 1.461) 2.314 6.328 ( -0.000 -6.279 -8.747) 10.767 7.674 ( 0.000 -18.702 9.559) 21.004 7.997 ( 0.000 7.673 0.549) 7.692 8.628 ( -0.000 -6.981 -10.691) 12.768 9.278 ( -0.000 -15.030 -1.447) 15.099 10.401 ( -0.000 -13.176 -2.273) 13.371 10.847 ( 0.000 -6.176 4.469) 7.624 11.184 ( 0.000 -0.810 0.924) 1.229 14.302 ( -0.000 -3.188 -11.717) 12.143 15.148 ( 0.000 2.243 14.455) 14.628 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.000 -0.000 14.551) 14.551 1.542 ( 0.000 -0.000 14.551) 14.551 2.733 ( -0.000 0.000 -6.946) 6.946 2.733 ( -0.000 0.000 -6.946) 6.946 2.913 ( 0.000 -0.000 32.946) 32.946 4.818 ( -0.000 0.000 -19.886) 19.886 6.356 ( 0.000 -0.000 0.124) 0.124 6.356 ( 0.000 -0.000 0.124) 0.124 7.518 ( -0.000 0.000 -1.430) 1.430 7.518 ( -0.000 0.000 -1.430) 1.430 8.563 ( -0.000 0.000 -1.348) 1.348 10.115 ( 0.000 -0.000 1.848) 1.848 10.115 ( 0.000 -0.000 1.848) 1.848 10.789 ( 0.000 -0.000 0.334) 0.334 11.192 ( -0.000 0.000 -0.964) 0.964 11.192 ( -0.000 0.000 -0.964) 0.964 11.885 ( 0.000 -0.000 1.213) 1.213 15.854 ( -0.000 0.000 -0.524) 0.524 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 7.825 4.518 12.966) 15.803 1.835 ( 17.723 10.233 11.729) 23.588 2.601 ( -2.334 -1.348 -0.913) 2.846 2.789 ( 5.901 3.407 -6.233) 9.235 3.336 ( 22.569 13.030 18.398) 31.900 4.784 ( 2.665 1.539 -16.481) 16.766 6.288 ( -5.586 -3.225 -0.292) 6.457 6.332 ( -1.761 -1.017 0.408) 2.074 7.296 ( -18.224 -10.521 2.542) 21.196 7.573 ( 4.289 2.476 -2.481) 5.539 8.609 ( 3.665 2.116 -1.385) 4.453 9.428 ( -37.423 -21.606 2.951) 43.313 10.030 ( -6.905 -3.987 2.806) 8.453 10.930 ( 0.383 0.221 -2.898) 2.932 11.150 ( -2.774 -1.602 -0.207) 3.210 11.205 ( 0.678 0.391 -1.534) 1.722 12.594 ( 48.596 28.057 -0.515) 56.116 15.728 ( -10.126 -5.846 -0.817) 11.720 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 13.357 7.712 9.267) 17.993 2.263 ( 13.108 7.568 19.508) 24.691 2.698 ( 14.487 8.364 -15.718) 22.954 2.936 ( 8.631 4.983 -4.585) 10.970 3.952 ( 27.458 15.853 11.096) 33.591 4.846 ( 7.346 4.241 -9.428) 12.682 6.157 ( -5.078 -2.932 -0.431) 5.879 6.285 ( -2.437 -1.407 0.190) 2.820 6.840 ( -21.521 -12.425 9.335) 26.546 7.687 ( 6.646 3.837 -2.808) 8.172 8.646 ( -6.064 -3.501 -6.643) 9.651 8.767 ( -18.204 -10.510 3.390) 21.292 9.836 ( -11.213 -6.474 3.123) 13.319 10.835 ( -6.983 -4.032 -1.130) 8.142 11.072 ( -4.037 -2.331 -0.728) 4.719 11.209 ( 0.163 0.094 -1.624) 1.635 13.582 ( 36.558 21.107 2.190) 42.270 15.457 ( -12.149 -7.015 -4.464) 14.722 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 13.971 8.066 4.911) 16.863 2.534 ( 8.072 4.660 15.056) 17.707 3.070 ( 20.841 12.032 -18.502) 30.355 3.124 ( 8.968 5.178 -2.050) 10.556 4.567 ( 24.562 14.181 0.632) 28.368 5.070 ( 14.481 8.360 2.824) 16.958 6.095 ( -0.330 -0.191 1.753) 1.794 6.231 ( -2.274 -1.313 -0.520) 2.677 6.488 ( -13.000 -7.506 12.137) 19.304 7.840 ( 7.623 4.401 -2.190) 9.070 8.161 ( -22.295 -12.872 -12.486) 28.612 8.698 ( -2.818 -1.627 7.357) 8.045 9.569 ( -13.416 -7.746 2.709) 15.726 10.640 ( -10.257 -5.922 0.924) 11.880 10.970 ( -4.746 -2.740 -2.294) 5.941 11.201 ( -0.434 -0.251 -1.353) 1.443 14.166 ( 14.004 8.085 9.708) 18.861 15.220 ( -5.536 -3.196 -11.969) 13.569 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.000 10.687 5.170) 11.872 1.833 ( 0.000 21.690 11.734) 24.660 2.602 ( -0.000 -5.081 -1.322) 5.250 2.750 ( -0.000 6.186 -3.229) 6.978 3.393 ( 0.000 24.743 14.813) 28.838 4.739 ( -0.000 4.297 -13.613) 14.276 6.275 ( 0.000 -6.979 0.812) 7.026 6.343 ( -0.000 -1.718 -0.587) 1.815 7.363 ( -0.000 -14.881 -4.023) 15.415 7.535 ( 0.000 3.403 1.178) 3.601 8.603 ( -0.000 3.611 -0.747) 3.687 9.402 ( 0.000 -45.608 5.461) 45.934 10.070 ( -0.000 -6.451 -0.908) 6.515 10.919 ( -0.000 0.415 -1.740) 1.789 11.169 ( -0.000 -2.653 -1.898) 3.262 11.181 ( 0.000 -0.048 0.655) 0.657 12.595 ( 0.000 56.460 -0.509) 56.462 15.717 ( 0.000 -13.273 0.309) 13.277 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 6.084 14.025 4.117) 15.832 2.223 ( 12.084 22.197 11.267) 27.671 2.567 ( 2.567 0.820 -7.009) 7.509 2.872 ( 5.821 8.761 -2.316) 10.770 3.818 ( 15.161 25.329 8.374) 30.684 4.785 ( 3.461 7.571 -7.928) 11.495 6.191 ( -2.591 -5.262 0.127) 5.867 6.286 ( -2.774 -3.956 -0.330) 4.843 7.078 ( -12.881 -14.078 0.311) 19.085 7.598 ( 3.396 2.709 -0.633) 4.391 8.647 ( 2.099 0.025 0.934) 2.297 8.867 ( -16.722 -29.445 0.348) 33.864 9.944 ( -5.714 -7.449 0.308) 9.393 10.870 ( -2.971 -5.031 -1.053) 5.937 11.094 ( -3.398 -5.000 -0.459) 6.062 11.195 ( 0.932 0.278 -0.399) 1.051 13.362 ( 24.687 43.967 -0.281) 50.424 15.506 ( -7.510 -15.320 -0.279) 17.064 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 9.558 14.655 2.409) 17.662 2.554 ( 2.750 7.925 15.072) 17.250 2.778 ( 19.331 13.717 -15.789) 28.481 3.076 ( 7.490 11.792 -1.507) 14.050 4.368 ( 19.649 22.501 0.069) 29.873 4.963 ( 9.509 10.274 1.161) 14.048 6.117 ( -1.974 -0.806 0.583) 2.211 6.202 ( -0.783 -5.906 0.202) 5.961 6.756 ( -15.438 -4.360 7.407) 17.669 7.703 ( 8.030 0.375 -2.625) 8.457 8.325 ( -19.320 -19.227 -7.867) 28.370 8.656 ( 1.631 -7.212 4.854) 8.845 9.749 ( -10.768 -5.044 1.747) 12.019 10.728 ( -6.889 -6.738 0.618) 9.656 10.968 ( -3.619 -8.013 -0.953) 8.844 11.215 ( 0.433 1.939 -0.742) 2.121 14.073 ( 18.033 24.398 3.965) 30.597 15.218 ( -8.039 -13.154 -5.159) 16.256 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -0.000 14.768 -2.515) 14.981 2.405 ( -0.000 27.934 -2.485) 28.044 2.554 ( 0.000 2.567 6.574) 7.057 2.909 ( 0.000 10.386 0.656) 10.407 3.988 ( 0.000 29.779 4.588) 30.130 4.823 ( -0.000 10.993 -5.386) 12.241 6.153 ( 0.000 -5.195 0.299) 5.204 6.289 ( -0.000 -3.062 -0.652) 3.131 6.939 ( -0.000 -21.971 -10.341) 24.283 7.658 ( 0.000 7.559 3.020) 8.140 8.566 ( 0.000 -18.331 9.111) 20.470 8.802 ( -0.000 -11.160 -3.299) 11.637 9.867 ( -0.000 -12.764 -2.953) 13.102 10.833 ( -0.000 -7.345 -0.724) 7.380 11.074 ( -0.000 -5.500 -1.067) 5.602 11.193 ( 0.000 0.182 1.635) 1.645 13.605 ( -0.000 44.866 -2.369) 44.928 15.416 ( 0.000 -17.093 3.760) 17.501 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.000 -0.000 5.434) 5.434 1.644 ( 0.000 -0.000 5.434) 5.434 2.682 ( -0.000 0.000 -2.876) 2.876 2.682 ( -0.000 0.000 -2.876) 2.876 3.155 ( 0.000 -0.000 13.620) 13.620 4.662 ( -0.000 0.000 -9.271) 9.271 6.357 ( 0.000 -0.000 0.044) 0.044 6.357 ( 0.000 -0.000 0.044) 0.044 7.508 ( -0.000 0.000 -0.504) 0.504 7.508 ( -0.000 0.000 -0.504) 0.504 8.554 ( -0.000 0.000 -0.393) 0.393 10.127 ( 0.000 -0.000 0.658) 0.658 10.127 ( 0.000 -0.000 0.658) 0.658 10.791 ( 0.000 -0.000 0.058) 0.058 11.185 ( -0.000 0.000 -0.348) 0.348 11.185 ( -0.000 0.000 -0.348) 0.348 11.893 ( 0.000 -0.000 0.449) 0.449 15.850 ( -0.000 0.000 -0.185) 0.185 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 8.050 4.647 4.661) 10.398 1.896 ( 19.337 11.164 -0.157) 22.330 2.590 ( -4.160 -2.402 -0.035) 4.804 2.745 ( 5.821 3.361 -2.174) 7.064 3.458 ( 20.678 11.938 3.413) 24.119 4.679 ( 3.574 2.064 -2.722) 4.944 6.283 ( -5.804 -3.351 -0.645) 6.733 6.337 ( -1.694 -0.978 0.546) 2.031 7.326 ( -15.499 -8.948 3.428) 18.222 7.551 ( 3.752 2.166 -1.996) 4.770 8.601 ( 3.444 1.988 -0.314) 3.989 9.436 ( -38.356 -22.145 -1.384) 44.311 10.055 ( -6.374 -3.680 2.046) 7.639 10.913 ( 0.285 0.164 -0.577) 0.664 11.154 ( -2.686 -1.551 0.965) 3.248 11.191 ( 0.404 0.233 -1.221) 1.307 12.592 ( 48.378 27.931 0.021) 55.862 15.721 ( -10.809 -6.241 -0.560) 12.494 =================== 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 3/60750 10.0 10326.128 10326.128 35625.077 -0.000 0.000 0.000 3/60750 20.0 2460.561 2460.561 2538.184 -0.000 0.000 0.000 3/60750 30.0 652.248 652.248 536.253 -0.000 0.000 0.000 3/60750 40.0 260.574 260.574 194.390 -0.000 0.000 0.000 3/60750 50.0 138.572 138.572 95.890 -0.000 0.000 0.000 3/60750 60.0 87.668 87.668 57.395 -0.000 -0.000 0.000 3/60750 70.0 61.875 61.875 38.971 -0.000 -0.000 0.000 3/60750 80.0 46.974 46.974 28.808 -0.000 -0.000 0.000 3/60750 90.0 37.530 37.530 22.593 -0.000 -0.000 0.000 3/60750 100.0 31.121 31.121 18.487 -0.000 -0.000 0.000 3/60750 110.0 26.538 26.538 15.611 -0.000 -0.000 0.000 3/60750 120.0 23.122 23.122 13.499 -0.000 -0.000 0.000 3/60750 130.0 20.490 20.490 11.892 -0.000 -0.000 0.000 3/60750 140.0 18.405 18.405 10.630 -0.000 -0.000 0.000 3/60750 150.0 16.717 16.717 9.616 -0.000 -0.000 0.000 3/60750 160.0 15.322 15.322 8.783 -0.000 -0.000 0.000 3/60750 170.0 14.151 14.151 8.087 -0.000 -0.000 0.000 3/60750 180.0 13.154 13.154 7.498 -0.000 -0.000 0.000 3/60750 190.0 12.294 12.294 6.991 -0.000 -0.000 0.000 3/60750 200.0 11.545 11.545 6.552 -0.000 -0.000 0.000 3/60750 210.0 10.887 10.887 6.166 -0.000 -0.000 0.000 3/60750 220.0 10.303 10.303 5.826 -0.000 -0.000 0.000 3/60750 230.0 9.781 9.781 5.522 -0.000 -0.000 0.000 3/60750 240.0 9.312 9.312 5.250 -0.000 -0.000 0.000 3/60750 250.0 8.888 8.888 5.005 -0.000 -0.000 0.000 3/60750 260.0 8.503 8.503 4.782 -0.000 -0.000 0.000 3/60750 270.0 8.151 8.151 4.579 -0.000 -0.000 0.000 3/60750 280.0 7.828 7.828 4.394 -0.000 -0.000 0.000 3/60750 290.0 7.531 7.531 4.223 -0.000 -0.000 0.000 3/60750 300.0 7.256 7.256 4.066 -0.000 -0.000 0.000 3/60750 310.0 7.001 7.001 3.920 -0.000 -0.000 0.000 3/60750 320.0 6.764 6.764 3.785 -0.000 -0.000 0.000 3/60750 330.0 6.544 6.544 3.659 -0.000 -0.000 0.000 3/60750 340.0 6.337 6.337 3.541 -0.000 -0.000 0.000 3/60750 350.0 6.144 6.144 3.431 -0.000 -0.000 0.000 3/60750 360.0 5.962 5.962 3.328 -0.000 -0.000 0.000 3/60750 370.0 5.791 5.791 3.231 -0.000 -0.000 0.000 3/60750 380.0 5.630 5.630 3.140 -0.000 -0.000 0.000 3/60750 390.0 5.478 5.478 3.054 -0.000 -0.000 0.000 3/60750 400.0 5.334 5.334 2.972 -0.000 -0.000 0.000 3/60750 410.0 5.198 5.198 2.895 -0.000 -0.000 0.000 3/60750 420.0 5.068 5.068 2.822 -0.000 -0.000 0.000 3/60750 430.0 4.945 4.945 2.753 -0.000 -0.000 0.000 3/60750 440.0 4.828 4.828 2.687 -0.000 -0.000 0.000 3/60750 450.0 4.716 4.716 2.624 -0.000 -0.000 0.000 3/60750 460.0 4.610 4.610 2.564 -0.000 -0.000 0.000 3/60750 470.0 4.508 4.508 2.507 -0.000 -0.000 0.000 3/60750 480.0 4.411 4.411 2.452 -0.000 -0.000 0.000 3/60750 490.0 4.318 4.318 2.400 -0.000 -0.000 0.000 3/60750 500.0 4.229 4.229 2.350 -0.000 -0.000 0.000 3/60750 510.0 4.144 4.144 2.302 -0.000 -0.000 0.000 3/60750 520.0 4.061 4.061 2.256 -0.000 -0.000 0.000 3/60750 530.0 3.983 3.983 2.212 -0.000 -0.000 0.000 3/60750 540.0 3.907 3.907 2.169 -0.000 -0.000 0.000 3/60750 550.0 3.834 3.834 2.128 -0.000 -0.000 0.000 3/60750 560.0 3.764 3.764 2.089 -0.000 -0.000 0.000 3/60750 570.0 3.696 3.696 2.051 -0.000 -0.000 0.000 3/60750 580.0 3.631 3.631 2.015 -0.000 -0.000 0.000 3/60750 590.0 3.568 3.568 1.979 -0.000 -0.000 0.000 3/60750 600.0 3.507 3.507 1.945 -0.000 -0.000 0.000 3/60750 610.0 3.448 3.448 1.913 -0.000 -0.000 0.000 3/60750 620.0 3.392 3.392 1.881 -0.000 -0.000 0.000 3/60750 630.0 3.337 3.337 1.850 -0.000 -0.000 0.000 3/60750 640.0 3.284 3.284 1.821 -0.000 -0.000 0.000 3/60750 650.0 3.232 3.232 1.792 -0.000 -0.000 0.000 3/60750 660.0 3.182 3.182 1.764 -0.000 -0.000 0.000 3/60750 670.0 3.134 3.134 1.737 -0.000 -0.000 0.000 3/60750 680.0 3.087 3.087 1.711 -0.000 -0.000 0.000 3/60750 690.0 3.042 3.042 1.686 -0.000 -0.000 0.000 3/60750 700.0 2.998 2.998 1.661 -0.000 -0.000 0.000 3/60750 710.0 2.955 2.955 1.637 -0.000 -0.000 0.000 3/60750 720.0 2.913 2.913 1.614 -0.000 -0.000 0.000 3/60750 730.0 2.873 2.873 1.591 -0.000 -0.000 0.000 3/60750 740.0 2.833 2.833 1.569 -0.000 -0.000 0.000 3/60750 750.0 2.795 2.795 1.548 -0.000 -0.000 0.000 3/60750 760.0 2.758 2.758 1.527 -0.000 -0.000 0.000 3/60750 770.0 2.721 2.721 1.507 -0.000 -0.000 0.000 3/60750 780.0 2.686 2.686 1.488 -0.000 -0.000 0.000 3/60750 790.0 2.652 2.652 1.468 -0.000 -0.000 0.000 3/60750 800.0 2.618 2.618 1.450 -0.000 -0.000 0.000 3/60750 810.0 2.585 2.585 1.432 -0.000 -0.000 0.000 3/60750 820.0 2.553 2.553 1.414 -0.000 -0.000 0.000 3/60750 830.0 2.522 2.522 1.396 -0.000 -0.000 0.000 3/60750 840.0 2.492 2.492 1.380 -0.000 -0.000 0.000 3/60750 850.0 2.462 2.462 1.363 -0.000 -0.000 0.000 3/60750 860.0 2.433 2.433 1.347 -0.000 -0.000 0.000 3/60750 870.0 2.405 2.405 1.331 -0.000 -0.000 0.000 3/60750 880.0 2.378 2.378 1.316 -0.000 -0.000 0.000 3/60750 890.0 2.351 2.351 1.301 -0.000 -0.000 0.000 3/60750 900.0 2.324 2.324 1.286 -0.000 -0.000 0.000 3/60750 910.0 2.298 2.298 1.272 -0.000 -0.000 0.000 3/60750 920.0 2.273 2.273 1.258 -0.000 -0.000 0.000 3/60750 930.0 2.249 2.249 1.244 -0.000 -0.000 0.000 3/60750 940.0 2.224 2.224 1.231 -0.000 -0.000 0.000 3/60750 950.0 2.201 2.201 1.218 -0.000 -0.000 0.000 3/60750 960.0 2.178 2.178 1.205 -0.000 -0.000 0.000 3/60750 970.0 2.155 2.155 1.192 -0.000 -0.000 0.000 3/60750 980.0 2.133 2.133 1.180 -0.000 -0.000 0.000 3/60750 990.0 2.111 2.111 1.168 -0.000 -0.000 0.000 3/60750 1000.0 2.090 2.090 1.156 -0.000 -0.000 0.000 3/60750 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:44:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|