----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:25:34]------------------------- 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 1.812161939648702 1.046252183671370 10.040275763333323 b -1.812161939648699 1.046252183671370 10.040275763333323 c 0.000000000000001 -2.092504367342744 10.040275763333323 Atomic positions (fractional): *1 Zr 0.87624735553975 0.87624735553975 0.87624735553975 91.224 2 Zr 0.12375264446025 0.12375264446025 0.12375264446025 91.224 *3 Br 0.60806133453320 0.60806133453320 0.60806133453320 79.904 4 Br 0.39193866546680 0.39193866546680 0.39193866546680 79.904 *5 N 0.80469476827469 0.80469476827469 0.80469476827469 14.007 6 N 0.19530523172531 0.19530523172531 0.19530523172531 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.624323879297401 0.000000000000000 0.000000000000000 b -1.812161939648700 3.138756551014114 0.000000000000000 c 0.000000000000000 0.000000000000000 30.120827290000001 Atomic positions (fractional): *1 Zr 0.66666666666667 0.33333333333333 0.20958068887309 91.224 > 1 2 Zr 0.00000000000000 0.00000000000000 0.12375264446025 91.224 > 2 3 Zr 0.33333333333333 0.66666666666667 0.54291402220642 91.224 > 1 4 Zr 0.66666666666667 0.33333333333333 0.45708597779358 91.224 > 2 5 Zr 0.00000000000000 0.00000000000000 0.87624735553975 91.224 > 1 6 Zr 0.33333333333333 0.66666666666667 0.79041931112691 91.224 > 2 *7 Br 0.33333333333333 0.66666666666667 0.27472800119987 79.904 > 3 8 Br 0.33333333333333 0.66666666666667 0.05860533213346 79.904 > 4 9 Br 0.00000000000000 0.00000000000000 0.60806133453320 79.904 > 3 10 Br 0.00000000000000 0.00000000000000 0.39193866546680 79.904 > 4 11 Br 0.66666666666667 0.33333333333333 0.94139466786654 79.904 > 3 12 Br 0.66666666666667 0.33333333333333 0.72527199880013 79.904 > 4 *13 N 0.66666666666667 0.33333333333333 0.13802810160803 14.007 > 5 14 N 0.00000000000000 0.00000000000000 0.19530523172531 14.007 > 6 15 N 0.33333333333333 0.66666666666667 0.47136143494136 14.007 > 5 16 N 0.66666666666667 0.33333333333333 0.52863856505864 14.007 > 6 17 N 0.00000000000000 0.00000000000000 0.80469476827469 14.007 > 5 18 N 0.33333333333333 0.66666666666667 0.86197189839197 14.007 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.248647758594802 0.000000000000000 0.000000000000000 b -3.624323879297400 6.277513102028228 0.000000000000000 c 0.000000000000000 0.000000000000000 30.120827290000001 Atomic positions (fractional): *1 Zr 0.33333333333333 0.16666666666667 0.20958068887309 91.224 > 1 2 Zr 0.83333333333333 0.16666666666667 0.20958068887309 91.224 > 1 3 Zr 0.33333333333333 0.66666666666667 0.20958068887309 91.224 > 1 4 Zr 0.83333333333333 0.66666666666667 0.20958068887309 91.224 > 1 5 Zr 0.00000000000000 0.00000000000000 0.12375264446025 91.224 > 2 6 Zr 0.50000000000000 0.00000000000000 0.12375264446025 91.224 > 2 7 Zr 0.00000000000000 0.50000000000000 0.12375264446025 91.224 > 2 8 Zr 0.50000000000000 0.50000000000000 0.12375264446025 91.224 > 2 9 Zr 0.16666666666667 0.33333333333333 0.54291402220642 91.224 > 1 10 Zr 0.66666666666667 0.33333333333333 0.54291402220642 91.224 > 1 11 Zr 0.16666666666667 0.83333333333333 0.54291402220642 91.224 > 1 12 Zr 0.66666666666667 0.83333333333333 0.54291402220642 91.224 > 1 13 Zr 0.33333333333333 0.16666666666667 0.45708597779358 91.224 > 2 14 Zr 0.83333333333333 0.16666666666667 0.45708597779358 91.224 > 2 15 Zr 0.33333333333333 0.66666666666667 0.45708597779358 91.224 > 2 16 Zr 0.83333333333333 0.66666666666667 0.45708597779358 91.224 > 2 17 Zr 0.00000000000000 0.00000000000000 0.87624735553975 91.224 > 1 18 Zr 0.50000000000000 0.00000000000000 0.87624735553975 91.224 > 1 19 Zr 0.00000000000000 0.50000000000000 0.87624735553975 91.224 > 1 20 Zr 0.50000000000000 0.50000000000000 0.87624735553975 91.224 > 1 21 Zr 0.16666666666667 0.33333333333333 0.79041931112691 91.224 > 2 22 Zr 0.66666666666667 0.33333333333333 0.79041931112691 91.224 > 2 23 Zr 0.16666666666667 0.83333333333333 0.79041931112691 91.224 > 2 24 Zr 0.66666666666667 0.83333333333333 0.79041931112691 91.224 > 2 *25 Br 0.16666666666667 0.33333333333333 0.27472800119987 79.904 > 3 26 Br 0.66666666666667 0.33333333333333 0.27472800119987 79.904 > 3 27 Br 0.16666666666667 0.83333333333333 0.27472800119987 79.904 > 3 28 Br 0.66666666666667 0.83333333333333 0.27472800119987 79.904 > 3 29 Br 0.16666666666667 0.33333333333333 0.05860533213346 79.904 > 4 30 Br 0.66666666666667 0.33333333333333 0.05860533213346 79.904 > 4 31 Br 0.16666666666667 0.83333333333333 0.05860533213346 79.904 > 4 32 Br 0.66666666666667 0.83333333333333 0.05860533213346 79.904 > 4 33 Br 0.00000000000000 0.00000000000000 0.60806133453320 79.904 > 3 34 Br 0.50000000000000 0.00000000000000 0.60806133453320 79.904 > 3 35 Br 0.00000000000000 0.50000000000000 0.60806133453320 79.904 > 3 36 Br 0.50000000000000 0.50000000000000 0.60806133453320 79.904 > 3 37 Br 0.00000000000000 0.00000000000000 0.39193866546680 79.904 > 4 38 Br 0.50000000000000 0.00000000000000 0.39193866546680 79.904 > 4 39 Br 0.00000000000000 0.50000000000000 0.39193866546680 79.904 > 4 40 Br 0.50000000000000 0.50000000000000 0.39193866546680 79.904 > 4 41 Br 0.33333333333333 0.16666666666667 0.94139466786654 79.904 > 3 42 Br 0.83333333333333 0.16666666666667 0.94139466786654 79.904 > 3 43 Br 0.33333333333333 0.66666666666667 0.94139466786654 79.904 > 3 44 Br 0.83333333333333 0.66666666666667 0.94139466786654 79.904 > 3 45 Br 0.33333333333333 0.16666666666667 0.72527199880013 79.904 > 4 46 Br 0.83333333333333 0.16666666666667 0.72527199880013 79.904 > 4 47 Br 0.33333333333333 0.66666666666667 0.72527199880013 79.904 > 4 48 Br 0.83333333333333 0.66666666666667 0.72527199880013 79.904 > 4 *49 N 0.33333333333333 0.16666666666667 0.13802810160803 14.007 > 5 50 N 0.83333333333333 0.16666666666667 0.13802810160803 14.007 > 5 51 N 0.33333333333333 0.66666666666667 0.13802810160803 14.007 > 5 52 N 0.83333333333333 0.66666666666667 0.13802810160803 14.007 > 5 53 N 0.00000000000000 0.00000000000000 0.19530523172531 14.007 > 6 54 N 0.50000000000000 0.00000000000000 0.19530523172531 14.007 > 6 55 N 0.00000000000000 0.50000000000000 0.19530523172531 14.007 > 6 56 N 0.50000000000000 0.50000000000000 0.19530523172531 14.007 > 6 57 N 0.16666666666667 0.33333333333333 0.47136143494136 14.007 > 5 58 N 0.66666666666667 0.33333333333333 0.47136143494136 14.007 > 5 59 N 0.16666666666667 0.83333333333333 0.47136143494136 14.007 > 5 60 N 0.66666666666667 0.83333333333333 0.47136143494136 14.007 > 5 61 N 0.33333333333333 0.16666666666667 0.52863856505864 14.007 > 6 62 N 0.83333333333333 0.16666666666667 0.52863856505864 14.007 > 6 63 N 0.33333333333333 0.66666666666667 0.52863856505864 14.007 > 6 64 N 0.83333333333333 0.66666666666667 0.52863856505864 14.007 > 6 65 N 0.00000000000000 0.00000000000000 0.80469476827469 14.007 > 5 66 N 0.50000000000000 0.00000000000000 0.80469476827469 14.007 > 5 67 N 0.00000000000000 0.50000000000000 0.80469476827469 14.007 > 5 68 N 0.50000000000000 0.50000000000000 0.80469476827469 14.007 > 5 69 N 0.16666666666667 0.33333333333333 0.86197189839197 14.007 > 6 70 N 0.66666666666667 0.33333333333333 0.86197189839197 14.007 > 6 71 N 0.16666666666667 0.83333333333333 0.86197189839197 14.007 > 6 72 N 0.66666666666667 0.83333333333333 0.86197189839197 14.007 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.6747850 0.0000000 0.0000000 0.0000000 6.6747850 0.0000000 0.0000000 0.0000000 4.4825781 -------------------------- Born effective charges -------------------------- 1 Zr 5.1340675 0.0000000 0.0000000 0.0000000 5.1340675 0.0000000 0.0000000 0.0000000 2.3626128 2 Zr 5.1340675 0.0000000 0.0000000 0.0000000 5.1340675 0.0000000 0.0000000 0.0000000 2.3626128 3 Br -1.1731264 -0.0000000 0.0000000 0.0000000 -1.1731264 0.0000000 0.0000000 0.0000000 -0.7781076 4 Br -1.1731264 -0.0000000 0.0000000 0.0000000 -1.1731264 0.0000000 0.0000000 0.0000000 -0.7781076 5 N -3.9609411 -0.0000000 0.0000000 0.0000000 -3.9609411 0.0000000 0.0000000 0.0000000 -1.5845051 6 N -3.9609411 -0.0000000 0.0000000 0.0000000 -3.9609411 0.0000000 0.0000000 0.0000000 -1.5845051 ---------------------------------------------------------------------------- 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: 294 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: 0.071 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.076 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 294 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:25:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:25:37]------------------------- 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 1.812161939648702 1.046252183671370 10.040275763333323 b -1.812161939648699 1.046252183671370 10.040275763333323 c 0.000000000000001 -2.092504367342744 10.040275763333323 Atomic positions (fractional): 1 Zr 0.87624735553975 0.87624735553975 0.87624735553975 91.224 2 Zr 0.12375264446025 0.12375264446025 0.12375264446025 91.224 3 Br 0.60806133453320 0.60806133453320 0.60806133453320 79.904 4 Br 0.39193866546680 0.39193866546680 0.39193866546680 79.904 5 N 0.80469476827469 0.80469476827469 0.80469476827469 14.007 6 N 0.19530523172531 0.19530523172531 0.19530523172531 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.248647758594802 0.000000000000000 0.000000000000000 b -3.624323879297400 6.277513102028228 0.000000000000000 c 0.000000000000000 0.000000000000000 30.120827290000001 Atomic positions (fractional): 1 Zr 0.33333333333333 0.16666666666667 0.20958068887309 91.224 > 1 2 Zr 0.83333333333333 0.16666666666667 0.20958068887309 91.224 > 1 3 Zr 0.33333333333333 0.66666666666667 0.20958068887309 91.224 > 1 4 Zr 0.83333333333333 0.66666666666667 0.20958068887309 91.224 > 1 5 Zr 0.00000000000000 0.00000000000000 0.12375264446025 91.224 > 5 6 Zr 0.50000000000000 0.00000000000000 0.12375264446025 91.224 > 5 7 Zr 0.00000000000000 0.50000000000000 0.12375264446025 91.224 > 5 8 Zr 0.50000000000000 0.50000000000000 0.12375264446025 91.224 > 5 9 Zr 0.16666666666667 0.33333333333333 0.54291402220642 91.224 > 1 10 Zr 0.66666666666667 0.33333333333333 0.54291402220642 91.224 > 1 11 Zr 0.16666666666667 0.83333333333333 0.54291402220642 91.224 > 1 12 Zr 0.66666666666667 0.83333333333333 0.54291402220642 91.224 > 1 13 Zr 0.33333333333333 0.16666666666667 0.45708597779358 91.224 > 5 14 Zr 0.83333333333333 0.16666666666667 0.45708597779358 91.224 > 5 15 Zr 0.33333333333333 0.66666666666667 0.45708597779358 91.224 > 5 16 Zr 0.83333333333333 0.66666666666667 0.45708597779358 91.224 > 5 17 Zr 0.00000000000000 0.00000000000000 0.87624735553975 91.224 > 1 18 Zr 0.50000000000000 0.00000000000000 0.87624735553975 91.224 > 1 19 Zr 0.00000000000000 0.50000000000000 0.87624735553975 91.224 > 1 20 Zr 0.50000000000000 0.50000000000000 0.87624735553975 91.224 > 1 21 Zr 0.16666666666667 0.33333333333333 0.79041931112691 91.224 > 5 22 Zr 0.66666666666667 0.33333333333333 0.79041931112691 91.224 > 5 23 Zr 0.16666666666667 0.83333333333333 0.79041931112691 91.224 > 5 24 Zr 0.66666666666667 0.83333333333333 0.79041931112691 91.224 > 5 25 Br 0.16666666666667 0.33333333333333 0.27472800119987 79.904 > 25 26 Br 0.66666666666667 0.33333333333333 0.27472800119987 79.904 > 25 27 Br 0.16666666666667 0.83333333333333 0.27472800119987 79.904 > 25 28 Br 0.66666666666667 0.83333333333333 0.27472800119987 79.904 > 25 29 Br 0.16666666666667 0.33333333333333 0.05860533213346 79.904 > 29 30 Br 0.66666666666667 0.33333333333333 0.05860533213346 79.904 > 29 31 Br 0.16666666666667 0.83333333333333 0.05860533213346 79.904 > 29 32 Br 0.66666666666667 0.83333333333333 0.05860533213346 79.904 > 29 33 Br 0.00000000000000 0.00000000000000 0.60806133453320 79.904 > 25 34 Br 0.50000000000000 0.00000000000000 0.60806133453320 79.904 > 25 35 Br 0.00000000000000 0.50000000000000 0.60806133453320 79.904 > 25 36 Br 0.50000000000000 0.50000000000000 0.60806133453320 79.904 > 25 37 Br 0.00000000000000 0.00000000000000 0.39193866546680 79.904 > 29 38 Br 0.50000000000000 0.00000000000000 0.39193866546680 79.904 > 29 39 Br 0.00000000000000 0.50000000000000 0.39193866546680 79.904 > 29 40 Br 0.50000000000000 0.50000000000000 0.39193866546680 79.904 > 29 41 Br 0.33333333333333 0.16666666666667 0.94139466786654 79.904 > 25 42 Br 0.83333333333333 0.16666666666667 0.94139466786654 79.904 > 25 43 Br 0.33333333333333 0.66666666666667 0.94139466786654 79.904 > 25 44 Br 0.83333333333333 0.66666666666667 0.94139466786654 79.904 > 25 45 Br 0.33333333333333 0.16666666666667 0.72527199880013 79.904 > 29 46 Br 0.83333333333333 0.16666666666667 0.72527199880013 79.904 > 29 47 Br 0.33333333333333 0.66666666666667 0.72527199880013 79.904 > 29 48 Br 0.83333333333333 0.66666666666667 0.72527199880013 79.904 > 29 49 N 0.33333333333333 0.16666666666667 0.13802810160803 14.007 > 49 50 N 0.83333333333333 0.16666666666667 0.13802810160803 14.007 > 49 51 N 0.33333333333333 0.66666666666667 0.13802810160803 14.007 > 49 52 N 0.83333333333333 0.66666666666667 0.13802810160803 14.007 > 49 53 N 0.00000000000000 0.00000000000000 0.19530523172531 14.007 > 53 54 N 0.50000000000000 0.00000000000000 0.19530523172531 14.007 > 53 55 N 0.00000000000000 0.50000000000000 0.19530523172531 14.007 > 53 56 N 0.50000000000000 0.50000000000000 0.19530523172531 14.007 > 53 57 N 0.16666666666667 0.33333333333333 0.47136143494136 14.007 > 49 58 N 0.66666666666667 0.33333333333333 0.47136143494136 14.007 > 49 59 N 0.16666666666667 0.83333333333333 0.47136143494136 14.007 > 49 60 N 0.66666666666667 0.83333333333333 0.47136143494136 14.007 > 49 61 N 0.33333333333333 0.16666666666667 0.52863856505864 14.007 > 53 62 N 0.83333333333333 0.16666666666667 0.52863856505864 14.007 > 53 63 N 0.33333333333333 0.66666666666667 0.52863856505864 14.007 > 53 64 N 0.83333333333333 0.66666666666667 0.52863856505864 14.007 > 53 65 N 0.00000000000000 0.00000000000000 0.80469476827469 14.007 > 49 66 N 0.50000000000000 0.00000000000000 0.80469476827469 14.007 > 49 67 N 0.00000000000000 0.50000000000000 0.80469476827469 14.007 > 49 68 N 0.50000000000000 0.50000000000000 0.80469476827469 14.007 > 49 69 N 0.16666666666667 0.33333333333333 0.86197189839197 14.007 > 53 70 N 0.66666666666667 0.33333333333333 0.86197189839197 14.007 > 53 71 N 0.16666666666667 0.83333333333333 0.86197189839197 14.007 > 53 72 N 0.66666666666667 0.83333333333333 0.86197189839197 14.007 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.6747850 0.0000000 0.0000000 0.0000000 6.6747850 0.0000000 0.0000000 0.0000000 4.4825781 -------------------------- Born effective charges -------------------------- 1 Zr 5.1340675 0.0000000 0.0000000 0.0000000 5.1340675 0.0000000 0.0000000 0.0000000 2.3626128 2 Zr 5.1340675 0.0000000 0.0000000 0.0000000 5.1340675 0.0000000 0.0000000 0.0000000 2.3626128 3 Br -1.1731264 -0.0000000 0.0000000 0.0000000 -1.1731264 0.0000000 0.0000000 0.0000000 -0.7781076 4 Br -1.1731264 -0.0000000 0.0000000 0.0000000 -1.1731264 0.0000000 0.0000000 0.0000000 -0.7781076 5 N -3.9609411 -0.0000000 0.0000000 0.0000000 -3.9609411 0.0000000 0.0000000 0.0000000 -1.5845051 6 N -3.9609411 -0.0000000 0.0000000 0.0000000 -3.9609411 0.0000000 0.0000000 0.0000000 -1.5845051 ---------------------------------------------------------------------------- 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: 0.00000041 (yzy) 0.00000041 (yzy) 0.00000041 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:25:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:25:41]------------------------- 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 1.812161939648702 1.046252183671370 10.040275763333323 b -1.812161939648699 1.046252183671370 10.040275763333323 c 0.000000000000001 -2.092504367342744 10.040275763333323 Atomic positions (fractional): 1 Zr 0.87624735553975 0.87624735553975 0.87624735553975 91.224 2 Zr 0.12375264446025 0.12375264446025 0.12375264446025 91.224 3 Br 0.60806133453320 0.60806133453320 0.60806133453320 79.904 4 Br 0.39193866546680 0.39193866546680 0.39193866546680 79.904 5 N 0.80469476827469 0.80469476827469 0.80469476827469 14.007 6 N 0.19530523172531 0.19530523172531 0.19530523172531 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.248647758594802 0.000000000000000 0.000000000000000 b -3.624323879297400 6.277513102028228 0.000000000000000 c 0.000000000000000 0.000000000000000 30.120827290000001 Atomic positions (fractional): 1 Zr 0.33333333333333 0.16666666666667 0.20958068887309 91.224 > 1 2 Zr 0.83333333333333 0.16666666666667 0.20958068887309 91.224 > 1 3 Zr 0.33333333333333 0.66666666666667 0.20958068887309 91.224 > 1 4 Zr 0.83333333333333 0.66666666666667 0.20958068887309 91.224 > 1 5 Zr 0.00000000000000 0.00000000000000 0.12375264446025 91.224 > 5 6 Zr 0.50000000000000 0.00000000000000 0.12375264446025 91.224 > 5 7 Zr 0.00000000000000 0.50000000000000 0.12375264446025 91.224 > 5 8 Zr 0.50000000000000 0.50000000000000 0.12375264446025 91.224 > 5 9 Zr 0.16666666666667 0.33333333333333 0.54291402220642 91.224 > 1 10 Zr 0.66666666666667 0.33333333333333 0.54291402220642 91.224 > 1 11 Zr 0.16666666666667 0.83333333333333 0.54291402220642 91.224 > 1 12 Zr 0.66666666666667 0.83333333333333 0.54291402220642 91.224 > 1 13 Zr 0.33333333333333 0.16666666666667 0.45708597779358 91.224 > 5 14 Zr 0.83333333333333 0.16666666666667 0.45708597779358 91.224 > 5 15 Zr 0.33333333333333 0.66666666666667 0.45708597779358 91.224 > 5 16 Zr 0.83333333333333 0.66666666666667 0.45708597779358 91.224 > 5 17 Zr 0.00000000000000 0.00000000000000 0.87624735553975 91.224 > 1 18 Zr 0.50000000000000 0.00000000000000 0.87624735553975 91.224 > 1 19 Zr 0.00000000000000 0.50000000000000 0.87624735553975 91.224 > 1 20 Zr 0.50000000000000 0.50000000000000 0.87624735553975 91.224 > 1 21 Zr 0.16666666666667 0.33333333333333 0.79041931112691 91.224 > 5 22 Zr 0.66666666666667 0.33333333333333 0.79041931112691 91.224 > 5 23 Zr 0.16666666666667 0.83333333333333 0.79041931112691 91.224 > 5 24 Zr 0.66666666666667 0.83333333333333 0.79041931112691 91.224 > 5 25 Br 0.16666666666667 0.33333333333333 0.27472800119987 79.904 > 25 26 Br 0.66666666666667 0.33333333333333 0.27472800119987 79.904 > 25 27 Br 0.16666666666667 0.83333333333333 0.27472800119987 79.904 > 25 28 Br 0.66666666666667 0.83333333333333 0.27472800119987 79.904 > 25 29 Br 0.16666666666667 0.33333333333333 0.05860533213346 79.904 > 29 30 Br 0.66666666666667 0.33333333333333 0.05860533213346 79.904 > 29 31 Br 0.16666666666667 0.83333333333333 0.05860533213346 79.904 > 29 32 Br 0.66666666666667 0.83333333333333 0.05860533213346 79.904 > 29 33 Br 0.00000000000000 0.00000000000000 0.60806133453320 79.904 > 25 34 Br 0.50000000000000 0.00000000000000 0.60806133453320 79.904 > 25 35 Br 0.00000000000000 0.50000000000000 0.60806133453320 79.904 > 25 36 Br 0.50000000000000 0.50000000000000 0.60806133453320 79.904 > 25 37 Br 0.00000000000000 0.00000000000000 0.39193866546680 79.904 > 29 38 Br 0.50000000000000 0.00000000000000 0.39193866546680 79.904 > 29 39 Br 0.00000000000000 0.50000000000000 0.39193866546680 79.904 > 29 40 Br 0.50000000000000 0.50000000000000 0.39193866546680 79.904 > 29 41 Br 0.33333333333333 0.16666666666667 0.94139466786654 79.904 > 25 42 Br 0.83333333333333 0.16666666666667 0.94139466786654 79.904 > 25 43 Br 0.33333333333333 0.66666666666667 0.94139466786654 79.904 > 25 44 Br 0.83333333333333 0.66666666666667 0.94139466786654 79.904 > 25 45 Br 0.33333333333333 0.16666666666667 0.72527199880013 79.904 > 29 46 Br 0.83333333333333 0.16666666666667 0.72527199880013 79.904 > 29 47 Br 0.33333333333333 0.66666666666667 0.72527199880013 79.904 > 29 48 Br 0.83333333333333 0.66666666666667 0.72527199880013 79.904 > 29 49 N 0.33333333333333 0.16666666666667 0.13802810160803 14.007 > 49 50 N 0.83333333333333 0.16666666666667 0.13802810160803 14.007 > 49 51 N 0.33333333333333 0.66666666666667 0.13802810160803 14.007 > 49 52 N 0.83333333333333 0.66666666666667 0.13802810160803 14.007 > 49 53 N 0.00000000000000 0.00000000000000 0.19530523172531 14.007 > 53 54 N 0.50000000000000 0.00000000000000 0.19530523172531 14.007 > 53 55 N 0.00000000000000 0.50000000000000 0.19530523172531 14.007 > 53 56 N 0.50000000000000 0.50000000000000 0.19530523172531 14.007 > 53 57 N 0.16666666666667 0.33333333333333 0.47136143494136 14.007 > 49 58 N 0.66666666666667 0.33333333333333 0.47136143494136 14.007 > 49 59 N 0.16666666666667 0.83333333333333 0.47136143494136 14.007 > 49 60 N 0.66666666666667 0.83333333333333 0.47136143494136 14.007 > 49 61 N 0.33333333333333 0.16666666666667 0.52863856505864 14.007 > 53 62 N 0.83333333333333 0.16666666666667 0.52863856505864 14.007 > 53 63 N 0.33333333333333 0.66666666666667 0.52863856505864 14.007 > 53 64 N 0.83333333333333 0.66666666666667 0.52863856505864 14.007 > 53 65 N 0.00000000000000 0.00000000000000 0.80469476827469 14.007 > 49 66 N 0.50000000000000 0.00000000000000 0.80469476827469 14.007 > 49 67 N 0.00000000000000 0.50000000000000 0.80469476827469 14.007 > 49 68 N 0.50000000000000 0.50000000000000 0.80469476827469 14.007 > 49 69 N 0.16666666666667 0.33333333333333 0.86197189839197 14.007 > 53 70 N 0.66666666666667 0.33333333333333 0.86197189839197 14.007 > 53 71 N 0.16666666666667 0.83333333333333 0.86197189839197 14.007 > 53 72 N 0.66666666666667 0.83333333333333 0.86197189839197 14.007 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.6747850 0.0000000 0.0000000 0.0000000 6.6747850 0.0000000 0.0000000 0.0000000 4.4825781 -------------------------- Born effective charges -------------------------- 1 Zr 5.1340675 0.0000000 0.0000000 0.0000000 5.1340675 0.0000000 0.0000000 0.0000000 2.3626128 2 Zr 5.1340675 0.0000000 0.0000000 0.0000000 5.1340675 0.0000000 0.0000000 0.0000000 2.3626128 3 Br -1.1731264 -0.0000000 0.0000000 0.0000000 -1.1731264 0.0000000 0.0000000 0.0000000 -0.7781076 4 Br -1.1731264 -0.0000000 0.0000000 0.0000000 -1.1731264 0.0000000 0.0000000 0.0000000 -0.7781076 5 N -3.9609411 -0.0000000 0.0000000 0.0000000 -3.9609411 0.0000000 0.0000000 0.0000000 -1.5845051 6 N -3.9609411 -0.0000000 0.0000000 0.0000000 -3.9609411 0.0000000 0.0000000 0.0000000 -1.5845051 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000041 (yzy) 0.00000041 (yzy) 0.00000041 (yyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 16 ] 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: 0.86, Number of G-points: 299, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 417 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 2.496 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 5.043 ( 0.000 0.000 0.000) 0.000 5.043 ( 0.000 0.000 0.000) 0.000 6.008 ( 0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 0.000) 0.000 14.828 ( 0.000 0.000 0.000) 0.000 14.828 ( 0.000 0.000 0.000) 0.000 17.117 ( 0.000 0.000 0.000) 0.000 17.334 ( 0.000 0.000 0.000) 0.000 17.334 ( 0.000 0.000 0.000) 0.000 18.410 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 20.563 11.872 1.563) 23.796 0.645 ( 27.615 15.943 1.013) 31.903 1.075 ( 45.585 26.318 -0.295) 52.637 2.531 ( 2.996 1.730 -0.142) 3.463 2.628 ( 10.486 6.054 -0.029) 12.108 3.613 ( 0.906 0.523 0.042) 1.046 3.804 ( -6.991 -4.037 -0.738) 8.107 4.307 ( 14.849 8.573 -3.163) 17.435 5.078 ( 3.014 1.740 -0.056) 3.481 5.226 ( 13.349 7.707 0.741) 15.432 6.048 ( 4.402 2.541 2.111) 5.504 8.440 ( -6.551 -3.782 0.853) 7.612 14.754 ( -6.373 -3.679 -0.108) 7.359 16.836 ( -20.480 -11.824 -8.599) 25.163 16.991 ( -23.106 -13.340 3.414) 26.898 17.327 ( -0.652 -0.376 0.105) 0.760 18.721 ( 20.994 12.121 0.373) 24.244 19.851 ( 24.792 14.314 -17.344) 33.472 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 27.446 15.846 1.268) 31.717 1.266 ( 26.017 15.021 0.964) 30.058 2.063 ( 39.646 22.890 0.028) 45.780 2.626 ( 5.078 2.932 -0.240) 5.868 2.925 ( 14.363 8.292 0.258) 16.587 3.644 ( 1.762 1.017 0.094) 2.037 3.684 ( -3.365 -1.943 -0.443) 3.911 4.697 ( 19.843 11.456 -3.191) 23.134 5.177 ( 5.453 3.148 -0.112) 6.298 5.474 ( 5.220 3.014 -0.585) 6.056 6.326 ( 20.624 11.907 2.667) 23.964 8.245 ( -9.991 -5.768 1.916) 11.694 14.541 ( -11.929 -6.887 -0.163) 13.775 16.292 ( -23.918 -13.809 -6.375) 28.345 16.425 ( -25.827 -14.911 3.617) 30.041 17.306 ( -1.175 -0.679 0.157) 1.366 19.165 ( 15.780 9.111 6.507) 19.349 20.421 ( 24.385 14.078 -13.062) 31.039 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 28.728 16.586 1.069) 33.190 1.837 ( 23.347 13.479 0.873) 26.973 2.754 ( 5.869 3.389 -0.277) 6.783 2.865 ( 29.678 17.135 -0.102) 34.269 3.258 ( 14.042 8.107 0.736) 16.231 3.644 ( -0.101 -0.058 -0.311) 0.333 3.693 ( 2.479 1.431 0.156) 2.867 5.201 ( 23.775 13.726 -2.418) 27.559 5.321 ( 6.912 3.990 -0.158) 7.982 5.486 ( -2.055 -1.186 -1.377) 2.743 6.921 ( 27.826 16.065 1.424) 32.162 8.024 ( -8.669 -5.005 3.196) 10.508 14.217 ( -15.908 -9.185 -0.140) 18.370 15.722 ( -25.158 -14.525 -2.080) 29.124 15.854 ( -23.539 -13.590 0.321) 27.182 17.275 ( -1.473 -0.851 0.134) 1.706 19.456 ( 8.650 4.994 3.366) 10.540 20.832 ( 12.417 7.169 -6.099) 15.581 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 27.071 15.629 0.835) 31.270 2.335 ( 19.598 11.315 0.730) 22.642 2.886 ( 5.561 3.211 -0.261) 6.427 3.423 ( 19.089 11.021 -1.014) 22.066 3.552 ( 10.497 6.060 1.248) 12.185 3.682 ( 4.024 2.323 0.086) 4.647 3.757 ( 2.998 1.731 0.218) 3.469 5.387 ( -3.998 -2.308 -0.086) 4.617 5.485 ( 7.209 4.162 -0.177) 8.326 5.761 ( 21.504 12.415 -2.748) 24.982 7.474 ( 16.307 9.415 -0.134) 18.830 7.964 ( 7.149 4.128 4.070) 9.204 13.826 ( -17.669 -10.201 -0.053) 20.402 15.129 ( -25.721 -14.850 -0.795) 29.711 15.351 ( -20.299 -11.720 -0.526) 23.446 17.240 ( -1.504 -0.868 0.053) 1.737 19.587 ( 2.725 1.573 0.997) 3.301 20.968 ( 0.629 0.363 -2.084) 2.207 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 14.854 8.576 0.533) 17.160 2.822 ( 23.479 13.556 0.470) 27.115 3.003 ( 4.560 2.632 -0.206) 5.269 3.705 ( 4.786 2.763 0.516) 5.551 3.759 ( 10.522 6.075 -2.291) 12.364 3.831 ( 3.306 1.909 0.261) 3.827 3.859 ( 9.141 5.278 2.033) 10.749 5.299 ( -3.133 -1.809 -0.308) 3.630 5.643 ( 6.389 3.689 -0.162) 7.380 6.093 ( 5.932 3.425 -0.803) 6.897 7.731 ( 12.234 7.063 0.373) 14.131 8.350 ( 20.051 11.577 2.056) 23.244 13.425 ( -16.785 -9.691 0.047) 19.382 14.555 ( -23.630 -13.643 -0.768) 27.296 14.918 ( -17.211 -9.937 -0.269) 19.876 17.208 ( -1.293 -0.747 -0.037) 1.494 19.604 ( -0.954 -0.551 -0.043) 1.102 20.888 ( -6.456 -3.727 -0.406) 7.465 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 9.523 5.498 0.281) 11.000 3.093 ( 3.209 1.853 -0.098) 3.706 3.302 ( 17.818 10.287 -0.023) 20.574 3.814 ( 4.778 2.759 0.583) 5.548 3.907 ( 3.180 1.836 0.253) 3.681 3.935 ( 5.520 3.187 -1.663) 6.587 4.039 ( 5.723 3.304 1.409) 6.756 5.261 ( 0.316 0.182 -0.259) 0.447 5.772 ( 4.694 2.710 -0.119) 5.421 6.050 ( -7.784 -4.494 0.571) 9.007 8.098 ( 17.820 10.289 -0.134) 20.578 8.766 ( 14.928 8.619 1.081) 17.272 13.075 ( -13.178 -7.609 0.101) 15.217 14.062 ( -18.657 -10.772 -0.687) 21.554 14.568 ( -12.922 -7.461 -0.061) 14.922 17.182 ( -0.920 -0.531 -0.085) 1.066 19.563 ( -2.193 -1.266 -0.310) 2.551 20.710 ( -8.168 -4.716 0.110) 9.433 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 1.722 0.994 -0.168) 1.995 3.177 ( 4.391 2.535 0.240) 5.076 3.623 ( 9.800 5.658 -0.387) 11.323 3.919 ( 3.859 2.228 0.969) 4.560 3.970 ( 2.080 1.201 0.162) 2.408 4.016 ( 2.013 1.162 -1.140) 2.589 4.125 ( 1.833 1.058 0.574) 2.193 5.325 ( 5.295 3.057 -0.224) 6.118 5.817 ( -11.329 -6.541 0.772) 13.104 5.854 ( 2.462 1.422 -0.062) 2.844 8.460 ( 12.191 7.038 -0.273) 14.079 9.024 ( 7.288 4.208 0.560) 8.434 12.837 ( -7.263 -4.193 0.079) 8.387 13.719 ( -10.496 -6.060 -0.412) 12.126 14.336 ( -7.039 -4.064 0.014) 8.128 17.166 ( -0.471 -0.272 -0.067) 0.548 19.516 ( -1.550 -0.895 -0.223) 1.803 20.547 ( -5.408 -3.122 0.141) 6.246 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 -0.000) 0.000 3.738 ( 0.000 0.000 0.000) 0.000 3.970 ( -0.000 -0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.623 ( 0.000 0.000 0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 8.607 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 -0.000) 0.000 12.752 ( 0.000 0.000 0.000) 0.000 13.596 ( 0.000 0.000 0.000) 0.000 14.254 ( 0.000 0.000 -0.000) 0.000 17.160 ( 0.000 0.000 0.000) 0.000 19.498 ( 0.000 0.000 0.000) 0.000 20.482 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( -0.000 23.467 0.853) 23.482 0.641 ( -0.000 31.860 -0.279) 31.861 1.077 ( -0.000 52.463 0.606) 52.467 2.532 ( -0.000 3.477 -0.080) 3.478 2.629 ( -0.000 12.196 0.487) 12.206 3.613 ( -0.000 1.040 0.031) 1.040 3.803 ( 0.000 -7.927 -0.979) 7.988 4.304 ( 0.000 17.808 -4.101) 18.274 5.078 ( -0.000 3.496 0.036) 3.496 5.221 ( -0.000 15.464 -0.787) 15.484 6.046 ( -0.000 4.464 1.461) 4.697 8.442 ( -0.000 -7.584 1.626) 7.756 14.755 ( 0.000 -7.329 0.084) 7.330 16.832 ( 0.000 -21.599 -10.359) 23.955 16.985 ( 0.000 -28.552 1.686) 28.602 17.326 ( 0.000 -0.783 -0.111) 0.791 18.641 ( 0.000 29.222 -24.548) 38.164 19.873 ( 0.000 30.314 -9.641) 31.810 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 15.334 25.551 0.961) 29.815 1.161 ( 17.052 28.720 0.352) 33.403 1.790 ( 23.358 40.505 -0.061) 46.757 2.599 ( 2.778 4.907 -0.219) 5.643 2.838 ( 7.774 13.841 0.864) 15.899 3.643 ( 1.424 2.424 0.074) 2.812 3.702 ( -2.738 -4.662 -0.742) 5.458 4.562 ( 9.531 17.508 -3.633) 20.263 5.191 ( 4.229 7.620 -0.351) 8.722 5.407 ( 5.056 8.459 -0.494) 9.867 6.198 ( 9.035 13.986 1.960) 16.766 8.309 ( -5.430 -9.539 2.507) 11.259 14.622 ( -5.564 -9.466 -0.006) 10.980 16.448 ( -14.789 -21.051 -9.347) 27.372 16.556 ( -13.743 -28.926 2.983) 32.163 17.293 ( -0.878 -1.697 0.001) 1.911 19.065 ( 15.138 18.846 -0.006) 24.173 20.254 ( 11.516 27.751 -13.109) 32.780 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 23.222 23.548 0.877) 33.084 1.727 ( 15.830 26.943 0.635) 31.255 2.572 ( 26.317 26.194 -0.457) 37.134 2.717 ( 4.565 6.415 -0.305) 7.880 3.139 ( 10.957 12.228 1.410) 16.479 3.634 ( -0.877 -1.943 -0.599) 2.215 3.710 ( 1.707 5.243 0.122) 5.515 4.950 ( 16.898 14.592 -3.019) 22.530 5.356 ( 2.979 13.729 -0.567) 14.060 5.484 ( 0.787 -1.361 -1.259) 2.014 6.660 ( 21.719 20.220 2.185) 29.754 8.103 ( -7.465 -9.150 3.550) 12.331 14.378 ( -11.692 -9.352 -0.074) 14.972 15.922 ( -19.516 -21.164 -3.789) 29.037 16.021 ( -16.939 -23.965 0.199) 29.347 17.267 ( -0.002 -2.241 0.072) 2.242 19.423 ( 7.609 12.285 3.849) 14.954 20.671 ( 13.085 13.487 -8.794) 20.747 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 24.498 21.125 0.679) 32.355 2.234 ( 13.552 23.195 0.648) 26.872 2.847 ( 4.520 5.963 -0.358) 7.492 3.202 ( 20.625 16.223 -1.182) 26.267 3.443 ( 10.790 9.581 2.020) 14.571 3.631 ( 1.970 -0.136 -0.367) 2.009 3.805 ( 0.815 9.387 0.149) 9.424 5.345 ( 14.087 5.709 -1.357) 15.261 5.413 ( -2.409 -2.892 -0.343) 3.780 5.646 ( 10.250 20.741 -2.253) 23.245 7.254 ( 22.411 16.530 0.794) 27.859 7.932 ( -2.357 -5.322 4.483) 7.347 14.043 ( -16.572 -8.226 -0.060) 18.501 15.353 ( -21.030 -21.173 -1.110) 29.863 15.513 ( -16.647 -19.572 -1.046) 25.715 17.248 ( -0.220 -1.118 0.047) 1.141 19.596 ( 1.394 6.516 1.775) 6.896 20.892 ( 6.033 0.045 -3.617) 7.035 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 22.802 17.931 0.390) 29.010 2.651 ( 10.751 17.956 0.548) 20.935 2.977 ( 3.684 5.888 -0.325) 6.953 3.600 ( 11.462 6.582 -1.619) 13.316 3.657 ( 5.876 4.483 -0.050) 7.391 3.749 ( 9.404 5.802 2.117) 11.250 3.921 ( -0.925 13.604 0.100) 13.636 5.320 ( -2.812 -3.814 -0.912) 4.826 5.569 ( 7.402 3.936 0.071) 8.384 6.042 ( 9.813 15.673 -1.443) 18.548 7.624 ( 8.166 6.559 0.718) 10.499 8.091 ( 19.544 6.025 3.148) 20.692 13.660 ( -18.652 -6.637 -0.002) 19.798 14.783 ( -21.564 -18.613 -0.846) 28.498 15.059 ( -14.487 -16.946 -0.544) 22.301 17.238 ( -0.996 1.253 -0.025) 1.601 19.626 ( -1.983 1.029 0.293) 2.253 20.882 ( -0.830 -8.530 -1.013) 8.630 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 7.433 12.321 0.394) 14.395 3.064 ( 8.398 7.293 -0.188) 11.124 3.117 ( 12.947 11.883 -0.075) 17.574 3.731 ( 5.113 1.424 0.106) 5.308 3.852 ( 7.310 4.824 -1.412) 8.871 3.961 ( 7.487 4.205 1.794) 8.772 4.037 ( -3.278 16.557 0.084) 16.878 5.252 ( -0.776 -2.378 -0.758) 2.614 5.703 ( 5.049 0.996 0.325) 5.157 6.195 ( -5.223 8.267 0.084) 9.778 7.894 ( 15.722 8.633 0.378) 17.940 8.526 ( 20.535 5.058 1.487) 21.201 13.290 ( -17.323 -4.187 0.053) 17.822 14.250 ( -19.448 -16.197 -0.729) 25.320 14.683 ( -11.576 -12.722 -0.160) 17.201 17.239 ( -2.210 4.340 -0.083) 4.871 19.570 ( -2.481 -3.494 -0.226) 4.291 20.727 ( -3.882 -12.287 -0.096) 12.886 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( 1.666 5.906 -0.329) 6.145 3.156 ( 2.986 6.044 0.366) 6.752 3.494 ( 12.919 8.716 -0.380) 15.589 3.840 ( 5.400 1.726 0.581) 5.699 3.978 ( 3.683 2.053 -0.955) 4.323 4.084 ( 2.834 1.916 0.816) 3.517 4.132 ( -5.046 16.689 0.194) 17.436 5.258 ( 3.377 -0.319 -0.605) 3.445 5.748 ( 1.448 -4.760 0.744) 5.031 6.112 ( -12.363 10.613 0.273) 16.296 8.274 ( 16.751 6.950 -0.166) 18.136 8.861 ( 14.318 0.537 0.875) 14.355 13.001 ( -13.120 -0.221 0.073) 13.122 13.811 ( -12.920 -14.038 -0.484) 19.085 14.414 ( -7.998 -7.022 0.004) 10.643 17.246 ( -3.685 7.284 -0.088) 8.163 19.489 ( -0.553 -6.435 -0.220) 6.462 20.540 ( -2.682 -12.264 0.070) 12.554 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( -0.938 3.640 -0.141) 3.762 3.246 ( 0.174 4.087 0.122) 4.093 3.707 ( 4.923 2.857 -0.403) 5.706 3.934 ( 3.007 0.607 0.809) 3.172 4.027 ( 1.207 0.510 -0.733) 1.501 4.109 ( -1.205 1.488 0.328) 1.943 4.189 ( -6.180 13.815 0.055) 15.134 5.346 ( 6.547 -1.511 -0.442) 6.733 5.662 ( -4.130 -4.101 0.611) 5.853 6.047 ( -9.307 13.773 -0.023) 16.623 8.539 ( 8.129 0.778 -0.165) 8.168 9.028 ( 6.880 -3.963 0.424) 7.951 12.846 ( -7.294 4.740 0.035) 8.699 13.554 ( -1.965 -10.316 -0.132) 10.502 14.273 ( -3.221 -1.606 0.034) 3.599 17.253 ( -4.940 9.009 -0.038) 10.275 19.436 ( 2.515 -7.256 -0.004) 7.680 20.417 ( 1.799 -9.795 -0.042) 9.959 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( -2.635 2.647 -0.051) 3.735 3.246 ( -3.684 1.881 -0.012) 4.136 3.709 ( -4.798 -2.768 0.168) 5.542 3.930 ( -2.263 -2.415 -0.553) 3.355 4.032 ( -0.800 -0.674 0.884) 1.369 4.107 ( -0.826 1.716 -0.405) 1.947 4.189 ( -8.926 12.233 -0.181) 15.144 5.348 ( -1.871 -6.346 0.169) 6.618 5.658 ( 5.408 1.397 -0.608) 5.619 6.047 ( -7.275 14.952 0.047) 16.628 8.540 ( -4.660 -6.618 0.144) 8.096 9.026 ( -0.184 -8.033 -0.137) 8.037 12.846 ( -0.478 8.684 -0.031) 8.697 13.555 ( 10.013 -3.423 0.237) 10.584 14.273 ( 2.994 1.984 0.017) 3.592 17.254 ( -5.313 8.791 0.028) 10.271 19.436 ( 5.067 -5.774 0.250) 7.686 20.417 ( 7.565 -6.470 -0.208) 9.957 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -7.628 0.326 -0.407) 7.646 3.155 ( -5.072 1.634 0.273) 5.336 3.495 ( -14.085 -6.859 0.167) 15.667 3.836 ( -4.085 -3.734 -0.616) 5.569 3.985 ( -3.599 -2.106 1.295) 4.366 4.078 ( -3.191 -1.748 -0.994) 3.772 4.130 ( -11.953 12.815 -0.265) 17.526 5.260 ( -1.407 -2.965 0.163) 3.286 5.744 ( 3.604 -3.757 -0.585) 5.239 6.111 ( -3.163 16.084 -0.013) 16.392 8.275 ( -14.432 -11.086 0.280) 18.200 8.856 ( -7.783 -12.200 -0.651) 14.486 13.001 ( 6.736 11.277 -0.046) 13.136 13.814 ( 18.710 4.152 0.466) 19.170 14.414 ( 10.094 3.432 0.046) 10.661 17.247 ( -4.455 6.829 0.058) 8.154 19.491 ( 5.851 -2.711 0.419) 6.462 20.538 ( 11.988 -3.811 -0.285) 12.582 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( -14.448 -0.288 -0.356) 14.455 3.064 ( -10.812 -3.763 0.012) 11.448 3.117 ( -16.572 -5.094 -0.170) 17.338 3.730 ( -3.712 -3.610 -0.319) 5.188 3.862 ( -7.706 -3.831 1.742) 8.781 3.949 ( -7.624 -4.535 -1.854) 9.062 4.036 ( -12.639 11.070 -0.129) 16.801 5.255 ( 2.470 -0.378 0.170) 2.505 5.701 ( -3.208 -4.019 -0.202) 5.147 6.196 ( -4.372 8.866 0.423) 9.895 7.893 ( -15.515 -9.438 0.056) 18.160 8.517 ( -14.926 -15.362 -1.255) 21.456 13.290 ( 12.278 12.948 -0.002) 17.844 14.254 ( 23.833 8.690 0.498) 25.372 14.684 ( 16.857 3.708 0.172) 17.261 17.239 ( -2.656 4.071 0.026) 4.861 19.572 ( 4.176 0.393 0.355) 4.210 20.727 ( 12.733 -2.737 -0.088) 13.024 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -27.052 -10.712 -0.626) 29.103 2.648 ( -20.991 -0.308 -0.505) 20.999 2.978 ( -6.915 -0.225 0.152) 6.920 3.606 ( -10.488 -6.204 0.304) 12.189 3.660 ( -8.370 -3.376 0.988) 9.079 3.737 ( -9.107 -5.149 -1.678) 10.595 3.920 ( -11.328 7.590 -0.117) 13.636 5.323 ( 4.719 0.717 0.151) 4.776 5.569 ( -7.014 -4.502 0.002) 8.335 6.052 ( -18.042 -0.616 1.585) 18.122 7.623 ( -9.589 -3.694 0.279) 10.280 8.073 ( -15.730 -14.230 -2.601) 21.370 13.660 ( 15.075 12.861 0.067) 19.816 14.787 ( 26.981 9.318 0.389) 28.547 15.061 ( 22.014 4.153 0.349) 22.405 17.238 ( -0.600 1.479 -0.046) 1.596 19.624 ( -0.190 2.152 -0.162) 2.166 20.887 ( 8.266 -3.414 0.679) 8.969 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -30.654 -10.521 -0.768) 32.418 2.230 ( -26.936 -0.048 -0.568) 26.942 2.848 ( -7.405 -0.924 0.173) 7.464 3.206 ( -24.569 -9.706 0.129) 26.417 3.435 ( -13.616 -4.677 -0.480) 14.405 3.632 ( -0.740 -1.700 0.059) 1.855 3.805 ( -8.541 3.995 -0.134) 9.431 5.351 ( -12.064 -9.103 0.547) 15.123 5.414 ( 4.054 0.897 -0.139) 4.154 5.660 ( -22.895 0.976 1.929) 22.997 7.252 ( -26.043 -11.389 -0.035) 28.425 7.909 ( 5.860 -0.406 -2.629) 6.436 14.044 ( 15.420 10.232 0.119) 18.506 15.358 ( 29.167 7.655 0.536) 30.160 15.517 ( 25.232 4.731 0.197) 25.672 17.248 ( 1.064 -0.360 -0.106) 1.128 19.586 ( -6.992 2.001 -1.302) 7.388 20.911 ( -1.905 -5.071 2.306) 5.887 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -32.146 -8.095 -0.640) 33.155 1.724 ( -31.323 -0.035 -0.464) 31.327 2.573 ( -35.955 -9.578 -0.068) 37.209 2.718 ( -7.801 -0.757 0.098) 7.838 3.134 ( -15.980 -3.539 -0.107) 16.368 3.636 ( 2.178 -0.175 0.131) 2.189 3.709 ( -5.381 1.157 -0.079) 5.505 4.963 ( -20.561 -7.541 1.128) 21.930 5.359 ( -13.313 4.321 0.193) 13.998 5.489 ( 0.585 -1.485 0.565) 1.693 6.650 ( -28.809 -8.529 -0.997) 30.062 8.088 ( 11.715 2.033 -1.136) 11.944 14.379 ( 13.955 5.399 0.105) 14.964 15.942 ( 29.810 6.499 2.567) 30.618 16.014 ( 28.015 2.807 -1.917) 28.220 17.266 ( 1.931 -1.074 -0.099) 2.212 19.403 ( -15.338 0.332 -2.415) 15.531 20.711 ( -16.028 -5.294 3.979) 17.342 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -29.982 0.000 0.000) 29.982 1.160 ( -33.437 0.000 0.000) 33.437 1.791 ( -46.831 0.000 0.000) 46.831 2.600 ( -5.638 0.000 0.000) 5.638 2.835 ( -15.787 0.000 0.000) 15.787 3.643 ( -2.811 0.000 0.000) 2.811 3.704 ( 5.489 -0.000 -0.000) 5.489 4.574 ( -19.535 0.000 0.000) 19.535 5.192 ( -8.726 0.000 0.000) 8.726 5.408 ( -9.982 0.000 0.000) 9.982 6.192 ( -16.739 0.000 0.000) 16.739 8.301 ( 10.997 -0.000 -0.000) 10.997 14.622 ( 10.984 -0.000 -0.000) 10.984 16.482 ( 26.566 -0.000 -0.000) 26.566 16.541 ( 31.900 -0.000 -0.000) 31.900 17.293 ( 1.909 -0.000 -0.000) 1.909 19.065 ( -22.629 0.000 0.000) 22.629 20.296 ( -27.797 0.000 0.000) 27.797 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -0.000 31.410 -0.090) 31.410 1.259 ( -0.000 30.048 -0.147) 30.048 2.061 ( -0.000 45.326 -0.353) 45.327 2.626 ( -0.000 5.864 -0.193) 5.867 2.934 ( -0.000 16.862 1.673) 16.945 3.644 ( -0.000 2.019 0.065) 2.020 3.682 ( 0.000 -3.917 -0.816) 4.001 4.696 ( 0.000 23.313 -3.393) 23.559 5.178 ( -0.000 6.325 0.058) 6.326 5.472 ( 0.000 6.331 -0.943) 6.401 6.314 ( -0.000 23.864 0.967) 23.884 8.253 ( -0.000 -11.693 3.130) 12.105 14.543 ( 0.000 -13.741 0.154) 13.742 16.317 ( 0.000 -25.135 -6.142) 25.874 16.371 ( 0.000 -31.636 -0.985) 31.651 17.303 ( 0.000 -1.391 -0.196) 1.405 19.103 ( 0.000 21.177 -3.303) 21.433 20.454 ( 0.000 28.100 -7.534) 29.093 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 9.612 31.485 0.082) 32.920 1.721 ( 15.971 27.003 0.053) 31.373 2.566 ( 9.848 35.590 -0.986) 36.940 2.716 ( 3.171 7.051 -0.320) 7.738 3.148 ( 4.682 15.930 2.300) 16.762 3.632 ( -1.224 -1.764 -0.788) 2.287 3.709 ( 3.752 4.050 0.051) 5.521 4.951 ( 3.551 22.167 -2.878) 22.633 5.356 ( 9.911 8.949 -0.630) 13.368 5.486 ( -1.476 0.852 -0.967) 1.960 6.654 ( 7.601 29.107 1.686) 30.130 8.106 ( -3.911 -11.424 3.831) 12.668 14.380 ( -2.401 -14.731 0.118) 14.926 15.948 ( -11.874 -28.902 -2.699) 31.362 15.980 ( -8.299 -25.016 -2.376) 26.463 17.265 ( -1.776 -1.186 -0.107) 2.138 19.394 ( 9.995 13.107 0.929) 16.509 20.695 ( 1.686 18.528 -6.268) 19.632 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 16.761 27.980 0.194) 32.616 2.250 ( 14.377 24.263 0.308) 28.205 2.838 ( 4.120 7.210 -0.409) 8.314 3.086 ( 13.941 23.463 -1.614) 27.340 3.402 ( 7.071 12.897 2.751) 14.963 3.613 ( 0.206 0.249 -0.666) 0.740 3.855 ( 5.355 9.101 0.106) 10.560 5.230 ( 7.653 13.603 -1.833) 15.715 5.417 ( -1.901 -3.825 -1.085) 4.407 5.688 ( 10.073 19.018 -1.157) 21.552 7.126 ( 14.305 25.006 1.473) 28.846 7.933 ( -4.442 -8.848 4.408) 10.838 14.161 ( -7.411 -12.601 0.039) 14.619 15.426 ( -15.106 -26.124 -1.366) 30.208 15.548 ( -13.059 -23.126 -1.695) 26.612 17.238 ( -0.175 -0.486 -0.017) 0.516 19.626 ( 4.612 6.386 1.509) 8.020 20.826 ( 1.101 3.991 -3.736) 5.576 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 18.569 23.142 0.048) 29.671 2.680 ( 9.733 20.120 0.431) 22.354 2.979 ( 3.874 7.260 -0.419) 8.239 3.488 ( 11.305 12.870 -2.150) 17.265 3.627 ( 3.537 5.622 0.766) 6.686 3.670 ( 6.929 6.405 1.811) 9.608 4.066 ( 3.813 16.599 0.096) 17.032 5.320 ( -2.240 -4.274 -1.727) 5.125 5.468 ( 7.484 4.895 0.171) 8.944 6.070 ( 9.557 21.556 -1.263) 23.613 7.580 ( 9.846 15.777 0.613) 18.607 7.868 ( 7.525 -2.347 4.276) 8.967 13.871 ( -13.193 -9.793 -0.047) 16.430 14.923 ( -16.597 -19.925 -0.879) 25.947 15.085 ( -12.641 -22.885 -0.859) 26.158 17.251 ( 0.986 1.658 -0.009) 1.929 19.685 ( -2.098 1.358 0.446) 2.539 20.793 ( -1.218 -8.769 -1.392) 8.962 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 15.401 15.890 -0.223) 22.130 2.999 ( 7.486 16.188 0.431) 17.840 3.111 ( 3.134 7.539 -0.369) 8.173 3.676 ( 3.953 3.199 -0.430) 5.103 3.780 ( 7.049 6.958 -1.368) 9.999 3.879 ( 7.453 5.416 2.216) 9.476 4.297 ( -1.119 23.936 0.103) 23.963 5.241 ( -1.540 -3.356 -1.274) 3.906 5.606 ( 6.095 -1.021 0.641) 6.213 6.369 ( 0.920 17.507 -0.396) 17.535 7.775 ( 6.822 8.477 1.195) 10.947 8.197 ( 21.411 3.156 1.782) 21.716 13.529 ( -15.444 -7.704 -0.097) 17.259 14.427 ( -20.223 -16.097 -0.558) 25.854 14.701 ( -7.718 -17.426 -0.342) 19.062 17.304 ( 0.925 5.509 -0.043) 5.586 19.603 ( -5.468 -3.702 -0.250) 6.608 20.626 ( -2.515 -16.469 -0.228) 16.661 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 3.799 9.096 0.226) 9.860 3.200 ( 1.189 7.701 -0.351) 7.800 3.370 ( 12.638 11.868 -0.301) 17.339 3.777 ( 4.537 2.851 0.253) 5.364 3.929 ( 4.497 3.263 -0.920) 5.632 4.026 ( 4.897 1.859 1.103) 5.353 4.479 ( -7.445 26.534 0.144) 27.559 5.210 ( 1.049 -1.140 -1.022) 1.856 5.666 ( 3.906 -4.099 1.031) 5.755 6.448 ( -9.871 16.522 0.158) 19.247 8.058 ( 14.949 7.270 0.283) 16.626 8.562 ( 18.940 -1.935 1.031) 19.067 13.218 ( -12.663 -4.371 -0.058) 13.396 13.925 ( -18.384 -16.082 -0.317) 24.427 14.463 ( -5.926 -7.534 -0.084) 9.586 17.386 ( -0.884 10.462 -0.070) 10.499 19.447 ( -4.497 -8.759 -0.341) 9.852 20.409 ( -1.141 -19.190 0.071) 19.225 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( -1.021 6.218 -0.198) 6.304 3.300 ( 0.317 6.952 0.119) 6.961 3.636 ( 7.697 5.546 -0.472) 9.499 3.883 ( 4.303 1.697 0.749) 4.686 4.003 ( 2.143 1.029 -0.688) 2.475 4.089 ( 1.787 -0.914 0.410) 2.048 4.565 ( -11.506 24.138 0.100) 26.740 5.243 ( 3.484 -1.029 -0.721) 3.703 5.674 ( 0.080 -1.052 0.883) 1.376 6.413 ( -13.191 18.515 0.042) 22.733 8.360 ( 13.038 1.451 -0.117) 13.119 8.798 ( 13.162 -7.032 0.681) 14.938 13.031 ( -7.360 1.889 0.023) 7.599 13.511 ( -9.954 -15.501 -0.116) 18.422 14.335 ( -4.848 0.197 0.007) 4.852 17.468 ( -4.631 14.708 -0.066) 15.420 19.300 ( 0.441 -12.299 -0.091) 12.307 20.233 ( 2.962 -18.224 -0.028) 18.463 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( -3.004 5.266 -0.166) 6.065 3.337 ( -2.855 4.899 0.096) 5.671 3.733 ( 0.263 -0.087 -0.189) 0.335 3.931 ( 0.260 -1.348 0.263) 1.398 4.034 ( 0.473 0.294 0.034) 0.558 4.089 ( 0.733 -1.811 -0.022) 1.954 4.582 ( -12.934 22.243 -0.125) 25.730 5.275 ( 2.781 -4.368 -0.175) 5.181 5.664 ( -2.423 3.500 -0.027) 4.257 6.389 ( -11.588 20.118 0.002) 23.217 8.487 ( 3.470 -5.849 -0.038) 6.801 8.875 ( 6.304 -11.298 0.274) 12.941 12.986 ( -4.429 7.658 0.044) 8.847 13.332 ( 6.299 -10.789 0.110) 12.494 14.295 ( -2.425 4.190 0.006) 4.841 17.504 ( -8.815 15.298 -0.037) 17.656 19.240 ( 6.822 -11.660 0.243) 13.511 20.165 ( 8.744 -15.226 -0.230) 17.560 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( -4.858 3.975 -0.175) 6.279 3.300 ( -6.203 3.265 0.097) 7.011 3.640 ( -8.576 -3.910 0.149) 9.427 3.874 ( -3.643 -2.774 -0.543) 4.611 4.015 ( -1.821 -1.385 1.171) 2.570 4.082 ( -0.344 -2.092 -0.724) 2.240 4.562 ( -15.189 21.974 -0.352) 26.715 5.249 ( -0.662 -3.362 0.272) 3.438 5.663 ( 0.578 -0.656 -0.746) 1.149 6.414 ( -9.459 20.665 0.111) 22.727 8.362 ( -7.740 -10.632 0.183) 13.152 8.792 ( -0.785 -15.024 -0.217) 15.046 13.031 ( 2.029 7.407 0.075) 7.681 13.513 ( 18.533 0.773 0.232) 18.551 14.335 ( 2.272 4.308 0.012) 4.870 17.468 ( -10.388 11.345 -0.010) 15.382 19.304 ( 10.498 -6.408 0.493) 12.309 20.231 ( 14.280 -11.732 -0.380) 18.485 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( -9.742 1.385 -0.388) 9.848 3.205 ( -7.312 2.847 0.300) 7.853 3.371 ( -16.764 -5.096 -0.056) 17.521 3.773 ( -4.507 -2.352 -0.375) 5.098 3.945 ( -4.813 -2.270 1.538) 5.539 4.011 ( -4.586 -3.445 -1.349) 5.892 4.476 ( -19.198 19.714 -0.385) 27.520 5.219 ( 0.488 -1.243 0.290) 1.366 5.655 ( 1.791 -5.490 -0.611) 5.807 6.449 ( -9.318 16.884 0.317) 19.287 8.058 ( -13.980 -9.576 0.199) 16.946 8.551 ( -8.144 -17.427 -0.658) 19.247 13.220 ( 10.081 8.896 0.124) 13.446 13.928 ( 23.280 7.691 0.189) 24.519 14.464 ( 9.570 1.422 0.103) 9.675 17.387 ( -8.600 5.964 -0.011) 10.466 19.453 ( 9.773 -0.400 0.535) 9.795 20.406 ( 17.308 -8.627 -0.356) 19.342 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -21.538 -5.153 -0.281) 22.148 2.995 ( -18.034 1.567 -0.198) 18.103 3.114 ( -7.989 1.122 0.048) 8.067 3.677 ( -4.381 -1.595 -0.170) 4.665 3.802 ( -9.516 -2.620 2.049) 10.080 3.852 ( -8.872 -3.953 -2.074) 9.932 4.295 ( -20.095 12.968 -0.269) 23.918 5.251 ( 3.752 -0.086 0.188) 3.757 5.600 ( -1.871 -5.832 -0.212) 6.128 6.376 ( -15.156 7.951 0.721) 17.130 7.769 ( -10.904 -1.936 0.245) 11.077 8.177 ( -14.274 -17.040 -1.252) 22.264 13.531 ( 14.342 9.587 0.126) 17.251 14.431 ( 24.258 9.278 0.018) 25.971 14.705 ( 19.099 -1.913 0.284) 19.196 17.304 ( -5.238 1.937 -0.035) 5.585 19.606 ( 5.660 2.860 0.277) 6.348 20.627 ( 15.937 -6.001 -0.048) 17.029 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -29.530 -4.169 -0.292) 29.824 2.676 ( -22.338 1.785 -0.216) 22.410 2.983 ( -8.197 0.289 0.069) 8.202 3.505 ( -16.728 -3.171 0.205) 17.028 3.620 ( -10.425 -1.070 0.320) 10.484 3.656 ( -5.334 -2.106 -0.681) 5.775 4.064 ( -16.275 5.065 -0.115) 17.045 5.333 ( 5.253 0.255 0.134) 5.261 5.466 ( -7.952 -4.209 0.023) 8.998 6.083 ( -23.041 1.986 0.712) 23.137 7.582 ( -18.979 -0.898 0.952) 19.024 7.827 ( -2.224 -7.410 -1.940) 7.976 13.872 ( 15.043 6.487 0.081) 16.382 14.929 ( 25.811 4.502 -0.048) 26.201 15.092 ( 26.366 -0.507 0.279) 26.372 17.251 ( -1.943 0.005 -0.045) 1.943 19.681 ( -0.702 2.539 -0.157) 2.639 20.805 ( 9.156 -3.413 0.408) 9.780 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -32.767 0.000 0.000) 32.767 2.248 ( -28.218 0.000 0.000) 28.218 2.841 ( -8.285 0.000 0.000) 8.285 3.097 ( -27.580 0.000 0.000) 27.580 3.384 ( -14.596 0.000 0.000) 14.596 3.616 ( -0.196 0.000 0.000) 0.196 3.854 ( -10.575 0.000 0.000) 10.575 5.242 ( -15.289 0.000 0.000) 15.289 5.424 ( 4.680 -0.000 -0.000) 4.680 5.696 ( -21.552 0.000 0.000) 21.552 7.117 ( -29.176 0.000 0.000) 29.176 7.904 ( 9.705 -0.000 -0.000) 9.705 14.161 ( 14.613 -0.000 -0.000) 14.613 15.436 ( 30.505 -0.000 -0.000) 30.505 15.558 ( 26.953 -0.000 -0.000) 26.953 17.238 ( 0.504 -0.000 -0.000) 0.504 19.617 ( -8.403 0.000 0.000) 8.403 20.851 ( -2.507 0.000 0.000) 2.507 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -0.000 32.951 -0.552) 32.955 1.829 ( -0.000 27.020 0.035) 27.020 2.753 ( -0.000 6.730 -0.332) 6.738 2.848 ( -0.000 33.730 -1.679) 33.772 3.282 ( -0.000 16.521 2.966) 16.785 3.638 ( 0.000 -0.115 -0.911) 0.918 3.693 ( -0.000 2.836 0.106) 2.838 5.192 ( 0.000 25.930 -3.233) 26.131 5.323 ( -0.000 8.010 0.054) 8.010 5.493 ( 0.000 -0.401 -0.814) 0.907 6.922 ( -0.000 33.139 1.585) 33.177 8.034 ( -0.000 -10.802 4.089) 11.550 14.221 ( 0.000 -18.367 0.198) 18.368 15.735 ( 0.000 -31.309 -0.809) 31.319 15.810 ( 0.000 -23.896 -3.855) 24.205 17.271 ( 0.000 -1.700 -0.238) 1.717 19.426 ( -0.000 11.745 0.433) 11.753 20.853 ( 0.000 13.761 -3.998) 14.330 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 6.759 31.533 -0.365) 32.252 2.225 ( 13.659 23.346 0.093) 27.048 2.846 ( 2.884 6.832 -0.411) 7.427 3.183 ( 4.194 25.734 -2.164) 26.163 3.466 ( 2.428 14.288 3.202) 14.842 3.626 ( -1.044 1.542 -0.730) 2.001 3.804 ( 7.732 5.372 0.048) 9.415 5.333 ( -1.494 11.916 -2.179) 12.205 5.405 ( -0.743 -0.232 -0.638) 1.007 5.674 ( 11.024 19.559 -0.668) 22.462 7.269 ( 3.122 29.307 1.716) 29.523 7.926 ( -2.929 -6.412 4.124) 8.167 14.047 ( 1.076 -18.458 0.169) 18.491 15.349 ( -8.247 -29.446 -1.407) 30.611 15.499 ( -7.834 -22.911 -1.882) 24.286 17.245 ( -0.726 -0.757 -0.166) 1.061 19.581 ( 5.773 5.424 0.793) 7.961 20.907 ( -4.037 4.657 -2.613) 6.694 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 11.572 27.307 -0.314) 29.660 2.677 ( 12.979 18.433 0.292) 22.546 2.978 ( 4.355 6.945 -0.457) 8.210 3.479 ( 5.919 16.053 -2.332) 17.268 3.646 ( 1.084 3.865 -0.515) 4.047 3.659 ( 3.866 11.334 3.155) 12.384 4.063 ( 12.584 11.393 -0.007) 16.975 5.310 ( -1.944 -4.132 -1.943) 4.963 5.471 ( 0.295 8.897 0.160) 8.904 6.083 ( 12.547 19.682 -0.771) 23.354 7.610 ( 7.926 19.154 1.604) 20.791 7.844 ( -4.564 2.319 3.514) 6.209 13.873 ( -2.053 -16.250 0.045) 16.380 14.915 ( -8.767 -24.574 -1.217) 26.119 15.087 ( -13.459 -21.946 -0.751) 25.755 17.250 ( 1.076 1.645 -0.072) 1.967 19.684 ( 2.559 -0.870 0.376) 2.728 20.796 ( -7.566 -5.578 -1.286) 9.487 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 12.234 20.438 -0.468) 23.824 3.022 ( 8.470 14.488 0.436) 16.788 3.123 ( 4.154 7.118 -0.445) 8.254 3.654 ( 3.062 4.791 -0.909) 5.758 3.757 ( 4.268 8.938 -1.323) 9.993 3.838 ( 4.832 7.275 2.595) 9.110 4.447 ( 12.282 20.630 -0.029) 24.009 5.233 ( -1.749 -3.306 -1.481) 4.023 5.531 ( 0.583 1.060 0.632) 1.365 6.463 ( 9.376 17.443 -0.401) 19.808 7.841 ( -0.101 6.270 2.819) 6.876 7.936 ( 10.707 11.817 0.789) 15.966 13.629 ( -8.509 -14.474 -0.160) 16.791 14.599 ( -5.620 -24.049 -0.468) 24.702 14.608 ( -15.318 -12.234 -0.437) 19.609 17.319 ( 3.094 5.248 -0.028) 6.092 19.645 ( -3.300 -5.329 -0.270) 6.274 20.550 ( -8.337 -14.646 -0.281) 16.855 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 6.899 11.180 -0.197) 13.139 3.248 ( 2.560 7.802 -0.397) 8.221 3.309 ( 8.940 13.087 0.045) 15.849 3.743 ( 3.135 3.473 -0.037) 4.679 3.896 ( 3.535 4.985 -0.877) 6.174 3.973 ( 4.120 3.254 1.315) 5.413 4.825 ( 1.654 26.119 -0.086) 26.171 5.199 ( -0.064 1.406 -1.089) 1.780 5.535 ( 4.097 -5.935 1.022) 7.283 6.723 ( 0.078 17.586 0.027) 17.587 7.965 ( 4.702 9.616 1.152) 10.766 8.228 ( 15.840 -0.326 0.816) 15.864 13.324 ( -9.803 -12.417 -0.212) 15.821 14.086 ( -18.456 -19.948 -0.024) 27.176 14.470 ( -1.749 -3.628 -0.232) 4.034 17.459 ( 4.122 10.082 -0.014) 10.892 19.474 ( -7.706 -8.815 -0.585) 11.723 20.246 ( -5.292 -20.999 0.186) 21.657 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( 0.363 7.593 -0.210) 7.605 3.359 ( 1.912 7.781 -0.016) 8.013 3.566 ( 7.570 7.792 -0.320) 10.869 3.831 ( 3.663 2.025 0.417) 4.206 3.977 ( 2.241 1.936 -0.414) 2.990 4.048 ( 2.358 0.143 0.417) 2.399 4.968 ( -7.441 16.409 -0.180) 18.018 5.227 ( -2.314 4.171 -0.462) 4.792 5.630 ( 7.707 4.520 0.711) 8.963 6.821 ( -9.759 20.126 0.127) 22.367 8.167 ( 9.901 3.165 0.217) 10.396 8.464 ( 15.611 -7.908 0.705) 17.514 13.089 ( -4.448 -8.033 -0.097) 9.183 13.596 ( -16.215 -17.035 0.074) 23.518 14.439 ( -3.329 5.087 -0.053) 6.079 17.649 ( 2.313 15.835 -0.018) 16.003 19.228 ( -7.339 -12.622 -0.398) 14.606 19.980 ( 0.835 -23.494 0.136) 23.510 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( -2.288 6.594 -0.227) 6.983 3.436 ( -1.559 6.605 0.119) 6.787 3.708 ( 3.202 1.929 -0.270) 3.748 3.895 ( 2.417 -0.934 0.464) 2.632 4.022 ( 1.552 1.132 -0.323) 1.948 4.062 ( 0.337 -1.595 0.222) 1.645 4.976 ( -8.457 14.357 -0.111) 16.663 5.204 ( 0.239 -2.581 -0.279) 2.607 5.797 ( -2.294 14.556 0.215) 14.737 6.822 ( -13.366 21.959 0.026) 25.707 8.323 ( 8.129 -5.144 -0.062) 9.620 8.597 ( 11.368 -13.021 0.505) 17.292 13.037 ( 4.374 -1.656 0.028) 4.677 13.220 ( -9.133 -12.831 0.137) 15.750 14.439 ( -5.406 9.663 -0.026) 11.072 17.815 ( -5.248 19.675 -0.074) 20.363 19.021 ( 1.188 -14.792 0.097) 14.840 19.827 ( 8.106 -22.158 -0.150) 23.595 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( -4.516 5.330 -0.204) 6.989 3.436 ( -4.943 4.673 0.150) 6.804 3.711 ( -3.002 -1.790 -0.038) 3.495 3.889 ( -0.962 -2.591 -0.089) 2.765 4.032 ( -1.283 -0.845 0.692) 1.685 4.056 ( 1.033 -1.062 -0.460) 1.551 4.973 ( -8.407 14.528 -0.352) 16.789 5.207 ( 2.553 -1.592 0.006) 3.008 5.793 ( -12.009 9.348 -0.195) 15.219 6.822 ( -12.320 22.527 0.035) 25.676 8.324 ( 0.477 -9.666 0.004) 9.678 8.593 ( 5.195 -16.508 0.164) 17.307 13.039 ( -0.740 -4.544 0.170) 4.607 13.220 ( 15.746 1.399 0.093) 15.808 14.439 ( -5.664 9.511 -0.040) 11.070 17.814 ( -14.393 14.307 -0.126) 20.294 19.026 ( 12.457 -8.133 0.524) 14.886 19.824 ( 15.005 -18.242 -0.390) 23.624 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( -7.032 3.359 -0.353) 7.801 3.363 ( -7.356 2.541 0.336) 7.790 3.570 ( -10.530 -2.798 0.007) 10.895 3.823 ( -3.517 -1.923 -0.278) 4.018 3.991 ( -2.457 -1.342 1.007) 2.975 4.036 ( -1.831 -1.836 -0.769) 2.705 4.964 ( -10.660 15.157 -0.556) 18.538 5.237 ( -1.625 3.592 0.509) 3.975 5.617 ( -8.483 -4.084 -0.525) 9.429 6.822 ( -12.520 18.467 0.153) 22.312 8.166 ( -7.842 -7.322 0.112) 10.729 8.455 ( -1.310 -17.456 -0.203) 17.506 13.092 ( 9.226 -0.139 0.171) 9.229 13.596 ( 22.934 5.383 0.071) 23.558 14.439 ( -2.660 5.453 -0.011) 6.067 17.649 ( -14.806 5.865 -0.074) 15.925 19.238 ( 14.618 0.259 0.584) 14.632 19.974 ( 19.951 -12.591 -0.435) 23.596 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -12.777 0.026 -0.161) 12.778 3.255 ( -7.979 1.687 0.259) 8.159 3.307 ( -16.312 -1.373 -0.190) 16.371 3.741 ( -4.266 -0.771 -0.123) 4.337 3.917 ( -5.244 -0.902 1.200) 5.455 3.948 ( -6.055 -1.824 -1.133) 6.425 4.823 ( -23.492 12.069 -0.307) 26.412 5.215 ( -1.011 0.693 0.316) 1.266 5.520 ( 3.284 -6.436 -0.293) 7.232 6.725 ( -15.050 8.574 0.231) 17.322 7.954 ( -11.154 -0.047 0.176) 11.155 8.215 ( -8.099 -13.363 -0.444) 15.632 13.327 ( 15.664 2.250 0.111) 15.825 14.086 ( 26.594 5.881 -0.017) 27.237 14.473 ( 4.252 -0.255 0.074) 4.261 17.459 ( -10.765 1.473 -0.029) 10.865 19.484 ( 11.313 2.174 0.311) 11.524 20.242 ( 21.074 -5.819 -0.216) 21.864 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -23.943 0.000 0.000) 23.943 3.018 ( -16.808 0.000 0.000) 16.808 3.127 ( -8.187 0.000 0.000) 8.187 3.662 ( -4.754 0.000 0.000) 4.754 3.787 ( -10.812 0.000 0.000) 10.812 3.796 ( -8.707 0.000 0.000) 8.707 4.448 ( -24.058 0.000 0.000) 24.058 5.251 ( 4.043 -0.000 -0.000) 4.043 5.522 ( -0.924 0.000 0.000) 0.924 6.467 ( -19.399 0.000 0.000) 19.399 7.811 ( -5.880 0.000 0.000) 5.880 7.927 ( -16.300 0.000 0.000) 16.300 13.630 ( 16.713 -0.000 -0.000) 16.713 14.604 ( 28.328 -0.000 -0.000) 28.328 14.612 ( 14.133 -0.000 -0.000) 14.133 17.320 ( -6.086 0.000 0.000) 6.086 19.648 ( 5.974 -0.000 -0.000) 5.974 20.553 ( 17.306 -0.000 -0.000) 17.306 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -0.000 31.236 -0.642) 31.243 2.327 ( -0.000 22.773 0.221) 22.774 2.883 ( -0.000 6.318 -0.455) 6.334 3.389 ( 0.000 21.751 -2.518) 21.896 3.588 ( -0.000 11.520 2.616) 11.814 3.678 ( -0.000 5.454 -0.055) 5.454 3.756 ( -0.000 3.415 0.145) 3.418 5.349 ( 0.000 -3.623 -2.216) 4.247 5.488 ( -0.000 8.336 0.025) 8.336 5.798 ( -0.000 24.413 -0.547) 24.419 7.513 ( -0.000 20.494 2.198) 20.611 7.950 ( -0.000 6.161 3.266) 6.973 13.830 ( 0.000 -20.457 0.210) 20.458 15.119 ( 0.000 -29.852 -1.404) 29.885 15.339 ( 0.000 -22.279 -1.306) 22.317 17.236 ( 0.000 -1.678 -0.235) 1.694 19.582 ( -0.000 4.066 0.638) 4.116 20.973 ( 0.000 0.137 -1.743) 1.748 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 4.586 28.740 -0.496) 29.108 2.644 ( 10.482 18.502 0.267) 21.267 2.973 ( 3.288 6.006 -0.489) 6.864 3.571 ( 0.643 13.051 -2.193) 13.249 3.685 ( 0.590 7.816 -0.348) 7.846 3.746 ( 0.293 10.604 2.608) 10.924 3.919 ( 11.928 6.023 0.061) 13.362 5.293 ( -1.263 -4.146 -1.769) 4.681 5.572 ( -0.279 8.331 0.108) 8.336 6.077 ( 7.678 16.521 -0.106) 18.218 7.668 ( 1.577 9.160 2.526) 9.632 8.062 ( -4.349 20.655 2.009) 21.203 13.664 ( 3.563 -19.531 0.159) 19.854 14.773 ( -5.513 -27.696 -1.270) 28.268 15.058 ( -7.159 -20.586 -0.576) 21.802 17.235 ( 1.659 -0.181 -0.178) 1.678 19.628 ( 1.930 -0.538 0.382) 2.039 20.882 ( -7.162 -5.582 -1.019) 9.137 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 6.678 21.285 -0.563) 22.315 2.998 ( 10.498 14.908 0.442) 18.239 3.107 ( 5.027 6.185 -0.493) 7.986 3.665 ( 1.263 5.381 -0.885) 5.598 3.802 ( 1.626 10.281 -1.516) 10.519 3.869 ( 1.555 8.214 2.707) 8.787 4.288 ( 21.246 10.718 -0.124) 23.796 5.227 ( -1.503 -2.903 -1.420) 3.564 5.608 ( -3.907 4.637 0.575) 6.091 6.390 ( 13.640 9.663 0.116) 16.717 7.804 ( 3.751 8.900 1.999) 9.863 8.176 ( -7.651 21.118 1.218) 22.494 13.533 ( 0.982 -17.194 -0.008) 17.223 14.419 ( -3.867 -25.093 -0.754) 25.400 14.706 ( -11.198 -15.511 -0.217) 19.132 17.302 ( 4.384 3.560 -0.098) 5.648 19.609 ( -0.653 -6.134 -0.069) 6.169 20.621 ( -12.966 -10.825 -0.379) 16.895 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 6.703 11.271 -0.267) 13.117 3.253 ( 5.027 6.133 -0.389) 7.939 3.304 ( 7.436 14.473 0.046) 16.272 3.739 ( 1.799 4.355 -0.166) 4.715 3.910 ( 1.286 6.469 -1.102) 6.687 3.964 ( 1.665 4.436 1.637) 5.013 4.814 ( 22.060 13.719 -0.234) 25.979 5.202 ( 1.775 1.466 -0.979) 2.502 5.533 ( -7.142 0.090 0.949) 7.206 6.731 ( 14.460 9.025 0.118) 17.045 7.979 ( 5.465 8.483 1.365) 10.183 8.218 ( -7.688 13.936 0.658) 15.930 13.326 ( -6.061 -14.563 -0.183) 15.775 14.086 ( -7.875 -25.731 -0.030) 26.909 14.471 ( -2.478 -3.441 -0.223) 4.246 17.458 ( 6.747 8.556 -0.028) 10.896 19.481 ( -4.313 -10.607 -0.507) 11.462 20.240 ( -15.120 -15.485 0.115) 21.643 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( 5.123 7.128 -0.064) 8.778 3.387 ( 2.981 6.853 -0.317) 7.479 3.537 ( 5.530 9.312 -0.138) 10.831 3.807 ( 1.767 2.768 0.220) 3.291 3.972 ( 0.871 2.996 -0.249) 3.130 4.022 ( 1.444 1.444 0.388) 2.079 5.068 ( 1.627 1.477 -0.863) 2.361 5.387 ( -4.684 -5.926 0.915) 7.609 5.520 ( 14.942 24.018 -0.108) 28.287 7.039 ( 7.368 13.220 0.115) 15.135 8.140 ( 2.972 6.141 0.898) 6.881 8.212 ( 0.386 -0.141 0.260) 0.487 13.082 ( -6.224 -10.483 -0.136) 12.192 13.659 ( -12.601 -21.662 0.148) 25.061 14.503 ( 2.895 4.941 -0.078) 5.727 17.702 ( 8.269 14.139 0.041) 16.379 19.258 ( -7.830 -12.387 -0.747) 14.673 19.824 ( -11.285 -20.539 0.387) 23.439 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( 0.302 6.217 -0.317) 6.232 3.505 ( 1.695 6.768 0.130) 6.978 3.675 ( 3.219 3.327 -0.112) 4.631 3.847 ( 1.536 -0.878 0.231) 1.784 4.010 ( 1.091 1.471 0.139) 1.837 4.046 ( 0.601 -0.054 -0.116) 0.614 5.092 ( 0.708 1.787 -0.607) 2.016 5.247 ( -5.432 -3.241 0.490) 6.345 5.980 ( 6.848 24.872 -0.053) 25.798 7.219 ( -5.317 18.893 0.087) 19.627 8.168 ( 2.160 -3.759 0.105) 4.337 8.276 ( 9.637 -9.984 0.496) 13.885 12.942 ( 0.057 -5.650 -0.016) 5.650 13.265 ( -10.534 -15.433 0.160) 18.686 14.608 ( -0.524 10.031 -0.022) 10.045 18.009 ( 6.557 20.078 0.061) 21.122 18.971 ( -10.404 -12.024 -0.446) 15.907 19.492 ( 0.475 -25.150 0.191) 25.155 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( -3.004 5.397 -0.231) 6.181 3.557 ( -2.923 5.047 0.192) 5.835 3.718 ( 0.258 -0.399 -0.083) 0.482 3.851 ( 1.701 -3.237 0.066) 3.657 4.032 ( 0.320 -0.561 0.077) 0.650 4.047 ( -0.252 0.557 0.021) 0.611 5.136 ( -0.626 3.492 -0.183) 3.553 5.152 ( -0.252 -2.017 -0.077) 2.034 6.176 ( -11.066 19.173 -0.042) 22.137 7.257 ( -11.869 20.499 0.014) 23.687 8.171 ( 5.094 -8.946 -0.068) 10.295 8.309 ( 8.481 -15.045 0.347) 17.274 12.958 ( 3.376 -5.596 0.094) 6.536 13.047 ( 2.213 -4.139 0.092) 4.694 14.657 ( -5.859 10.136 -0.030) 11.708 18.219 ( -11.401 19.309 -0.227) 22.425 18.770 ( 5.403 -8.235 0.444) 9.859 19.367 ( 13.189 -23.341 -0.283) 26.812 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( -5.539 3.173 -0.220) 6.387 3.506 ( -6.592 1.721 0.232) 6.816 3.676 ( -4.300 -1.218 -0.042) 4.469 3.841 ( -0.319 -1.644 -0.051) 1.676 4.013 ( -1.294 -0.757 0.239) 1.518 4.045 ( -0.708 -0.170 -0.132) 0.740 5.100 ( -1.808 0.791 -0.134) 1.978 5.238 ( 5.420 2.656 -0.064) 6.036 5.980 ( -25.119 6.789 -0.060) 26.020 7.218 ( -13.713 13.985 0.035) 19.586 8.165 ( 2.100 -4.041 -0.094) 4.555 8.271 ( 3.454 -13.330 0.145) 13.771 12.944 ( 4.942 -2.967 0.090) 5.765 13.263 ( 18.610 1.330 0.038) 18.657 14.608 ( -8.405 5.496 -0.026) 10.042 18.006 ( -20.529 4.349 -0.128) 20.985 18.986 ( 15.699 3.300 0.507) 16.050 19.483 ( 21.465 -13.220 -0.373) 25.212 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( -9.134 0.000 0.000) 9.134 3.390 ( -6.811 0.000 0.000) 6.811 3.540 ( -10.856 0.000 0.000) 10.856 3.803 ( -3.133 0.000 0.000) 3.133 3.977 ( -2.516 0.000 0.000) 2.516 4.015 ( -2.737 0.000 0.000) 2.737 5.083 ( -1.953 0.000 0.000) 1.953 5.371 ( 7.274 -0.000 -0.000) 7.274 5.522 ( -28.205 0.000 0.000) 28.205 7.037 ( -15.136 0.000 0.000) 15.136 8.126 ( -7.374 0.000 0.000) 7.374 8.207 ( -0.148 0.000 0.000) 0.148 13.084 ( 12.298 -0.000 -0.000) 12.298 13.656 ( 25.106 -0.000 -0.000) 25.106 14.504 ( -5.623 0.000 0.000) 5.623 17.702 ( -16.321 0.000 0.000) 16.321 19.270 ( 14.593 -0.000 -0.000) 14.593 19.818 ( 23.523 -0.000 -0.000) 23.523 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -0.000 17.391 0.354) 17.394 2.795 ( -0.000 27.441 -0.501) 27.446 2.996 ( -0.000 5.126 -0.505) 5.150 3.675 ( 0.000 7.638 -1.362) 7.758 3.777 ( -0.000 11.319 -1.189) 11.382 3.828 ( -0.000 3.729 0.159) 3.733 3.867 ( -0.000 9.352 2.496) 9.679 5.263 ( 0.000 -3.333 -1.524) 3.665 5.647 ( -0.000 7.365 -0.010) 7.365 6.135 ( -0.000 6.769 0.732) 6.808 7.767 ( -0.000 12.645 1.873) 12.783 8.338 ( -0.000 23.910 1.547) 23.960 13.428 ( 0.000 -19.492 0.186) 19.493 14.546 ( 0.000 -26.811 -1.135) 26.835 14.918 ( 0.000 -19.499 -0.297) 19.501 17.204 ( 0.000 -1.385 -0.197) 1.399 19.613 ( -0.000 -0.647 0.335) 0.729 20.881 ( 0.000 -7.884 -0.730) 7.917 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 6.715 12.871 0.301) 14.520 3.053 ( 2.567 13.118 -0.383) 13.372 3.100 ( 4.127 15.238 -0.472) 15.794 3.715 ( -0.997 5.548 -0.628) 5.671 3.885 ( 0.278 9.626 -1.559) 9.756 3.939 ( 1.145 7.482 2.306) 7.913 4.034 ( 14.561 5.279 0.075) 15.489 5.224 ( -1.096 -1.670 -1.248) 2.356 5.706 ( -1.664 4.868 0.320) 5.154 6.230 ( 9.139 -1.058 0.876) 9.241 7.918 ( -0.422 16.939 1.017) 16.974 8.517 ( -5.830 21.075 1.272) 21.904 13.293 ( 5.103 -17.186 0.127) 17.928 14.246 ( -4.425 -24.400 -0.823) 24.812 14.687 ( -5.182 -16.319 -0.082) 17.122 17.236 ( 4.869 0.344 -0.155) 4.884 19.583 ( -1.889 -3.530 0.122) 4.005 20.715 ( -8.656 -9.894 -0.406) 13.153 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 5.739 7.302 0.014) 9.288 3.206 ( 6.479 5.485 -0.233) 8.492 3.359 ( 4.281 17.159 -0.350) 17.688 3.767 ( 0.511 5.432 -0.089) 5.457 3.964 ( -0.044 6.255 -1.535) 6.441 4.005 ( -0.437 4.524 1.993) 4.962 4.466 ( 26.490 6.732 -0.035) 27.332 5.198 ( -0.618 0.597 -1.029) 1.340 5.665 ( -5.651 1.008 0.920) 5.814 6.466 ( 18.738 -0.836 0.370) 18.760 8.073 ( -1.306 15.936 0.468) 15.996 8.558 ( -11.090 16.128 1.000) 19.598 13.222 ( 2.621 -13.129 -0.005) 13.388 13.925 ( -4.764 -23.532 -0.307) 24.012 14.465 ( -3.728 -9.020 -0.059) 9.760 17.384 ( 9.489 4.469 -0.099) 10.490 19.462 ( -5.547 -7.938 -0.152) 9.685 20.395 ( -15.885 -10.892 -0.104) 19.261 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.326 ( 6.463 4.375 -0.127) 7.805 3.368 ( 5.879 5.286 -0.094) 7.907 3.562 ( 3.103 10.503 -0.296) 10.956 3.827 ( 0.270 4.343 0.320) 4.363 4.002 ( -0.501 3.187 -0.904) 3.351 4.031 ( -0.386 1.890 0.956) 2.153 4.947 ( 17.663 1.842 -0.174) 17.760 5.238 ( 5.670 -0.343 -0.454) 5.699 5.622 ( 0.119 8.973 0.713) 9.002 6.828 ( 22.021 1.367 0.127) 22.064 8.174 ( -2.443 9.702 0.209) 10.007 8.467 ( -14.607 10.195 0.713) 17.827 13.094 ( -4.866 -7.749 -0.096) 9.150 13.599 ( -6.698 -22.397 0.075) 23.377 14.438 ( 6.013 -0.400 -0.054) 6.027 17.647 ( 12.569 9.798 -0.019) 15.937 19.243 ( -7.605 -12.249 -0.402) 14.423 19.967 ( -20.463 -11.329 0.141) 23.390 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.470 ( 5.573 3.331 -0.163) 6.495 3.512 ( 4.766 4.894 -0.010) 6.831 3.673 ( 1.401 4.369 -0.086) 4.589 3.847 ( -1.487 1.028 0.223) 1.821 4.018 ( -0.104 1.704 0.188) 1.718 4.040 ( 0.222 0.514 -0.209) 0.598 5.085 ( 1.923 1.522 -0.489) 2.501 5.247 ( -0.277 -6.687 0.460) 6.709 5.978 ( 18.300 18.393 -0.025) 25.946 7.221 ( 18.875 4.782 0.066) 19.471 8.166 ( -4.602 -0.171 0.134) 4.607 8.284 ( -13.503 3.766 0.402) 14.024 12.945 ( -5.151 -2.646 -0.049) 5.791 13.267 ( -8.257 -16.762 0.134) 18.686 14.607 ( 9.028 4.529 -0.011) 10.100 18.006 ( 14.294 15.394 0.104) 21.008 18.984 ( -5.910 -14.294 -0.614) 15.480 19.482 ( -21.471 -12.616 0.329) 24.906 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( 2.411 3.245 -0.216) 4.048 3.610 ( 1.019 2.785 0.151) 2.970 3.718 ( 1.298 1.971 0.040) 2.361 3.802 ( -1.859 -3.113 -0.013) 3.626 4.029 ( -0.039 0.338 0.280) 0.441 4.051 ( 0.422 0.496 -0.238) 0.693 5.121 ( 1.027 1.698 -0.330) 2.012 5.174 ( -1.667 -3.286 0.267) 3.695 6.395 ( 7.640 13.063 -0.075) 15.134 7.521 ( 5.367 9.332 0.033) 10.765 8.049 ( -2.076 -4.163 0.035) 4.653 8.117 ( -4.324 -6.363 0.195) 7.695 12.894 ( 0.499 1.089 0.001) 1.197 13.013 ( -5.380 -9.174 0.083) 10.636 14.769 ( 2.803 4.802 -0.004) 5.560 18.433 ( 13.131 21.423 0.236) 25.128 18.776 ( -6.368 -7.642 -0.667) 9.969 19.013 ( -10.662 -20.664 0.360) 23.256 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( -3.960 0.000 0.000) 3.960 3.605 ( -2.778 0.000 0.000) 2.778 3.717 ( -2.359 0.000 0.000) 2.359 3.801 ( 3.451 -0.000 -0.000) 3.451 4.025 ( -0.571 0.000 0.000) 0.571 4.055 ( -0.343 0.000 0.000) 0.343 5.128 ( -1.655 0.000 0.000) 1.655 5.168 ( 3.399 -0.000 -0.000) 3.399 6.397 ( -15.022 0.000 0.000) 15.022 7.520 ( -10.836 0.000 0.000) 10.836 8.049 ( 4.342 -0.000 -0.000) 4.342 8.113 ( 7.511 -0.000 -0.000) 7.511 12.894 ( -1.201 0.000 0.000) 1.201 13.011 ( 10.519 -0.000 -0.000) 10.519 14.769 ( -5.555 0.000 0.000) 5.555 18.428 ( -24.912 0.000 0.000) 24.912 18.792 ( 9.883 -0.000 -0.000) 9.883 19.004 ( 23.096 -0.000 -0.000) 23.096 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( -0.000 11.288 0.383) 11.294 3.081 ( 0.000 3.562 -0.454) 3.591 3.282 ( -0.000 21.118 -0.407) 21.122 3.796 ( -0.000 5.928 -0.293) 5.935 3.903 ( -0.000 3.549 0.135) 3.551 3.966 ( 0.000 7.273 -1.523) 7.431 4.026 ( -0.000 5.612 1.994) 5.956 5.226 ( 0.000 0.634 -0.982) 1.170 5.775 ( -0.000 5.393 -0.031) 5.393 6.085 ( -0.000 -10.043 1.321) 10.130 8.116 ( -0.000 19.746 0.312) 19.749 8.769 ( -0.000 17.841 1.172) 17.880 13.077 ( 0.000 -15.345 0.136) 15.346 14.061 ( 0.000 -21.007 -0.696) 21.019 14.572 ( 0.000 -14.828 0.030) 14.828 17.180 ( 0.000 -0.945 -0.139) 0.955 19.579 ( 0.000 -2.315 0.125) 2.318 20.694 ( 0.000 -9.683 -0.312) 9.689 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 3.330 3.494 -0.119) 4.828 3.162 ( 4.767 6.634 0.053) 8.169 3.480 ( 1.253 15.846 -0.467) 15.902 3.828 ( -1.001 5.985 0.168) 6.070 4.018 ( -0.333 4.190 -1.367) 4.420 4.059 ( 1.039 3.720 1.574) 4.171 4.125 ( 16.131 3.726 0.117) 16.556 5.231 ( -1.363 3.060 -0.816) 3.448 5.752 ( -5.038 -1.252 0.695) 5.238 6.129 ( 15.127 -6.537 0.476) 16.486 8.285 ( -2.394 17.330 -0.038) 17.495 8.869 ( -6.707 13.333 0.976) 14.957 13.003 ( 6.517 -11.559 0.090) 13.270 13.816 ( -5.783 -17.791 -0.421) 18.713 14.418 ( -2.174 -10.446 0.049) 10.670 17.245 ( 8.089 0.524 -0.106) 8.106 19.508 ( -5.366 -3.528 0.021) 6.422 20.521 ( -9.203 -8.648 -0.165) 12.630 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 5.958 2.279 -0.131) 6.380 3.307 ( 5.893 3.746 0.053) 6.983 3.627 ( 1.130 9.320 -0.435) 9.399 3.880 ( -0.435 5.461 0.581) 5.509 4.033 ( -0.620 1.359 -1.244) 1.944 4.072 ( -1.562 1.782 1.087) 2.607 4.553 ( 26.389 2.234 0.096) 26.484 5.232 ( -1.925 2.522 -0.695) 3.248 5.669 ( -1.040 -0.636 0.863) 1.494 6.419 ( 22.542 -2.701 0.045) 22.703 8.364 ( -5.337 11.499 -0.117) 12.677 8.810 ( -12.722 8.520 0.680) 15.326 13.035 ( 5.534 -5.459 0.025) 7.773 13.518 ( -8.576 -16.128 -0.115) 18.267 14.336 ( 2.396 -4.140 0.006) 4.783 17.465 ( 14.929 3.326 -0.066) 15.295 19.320 ( -10.955 -5.624 -0.088) 12.315 20.214 ( -17.124 -6.672 -0.032) 18.378 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( 6.963 1.317 -0.065) 7.087 3.442 ( 6.520 1.934 0.007) 6.801 3.702 ( 0.278 3.568 -0.179) 3.584 3.902 ( -2.201 2.397 0.388) 3.277 4.031 ( 0.050 0.394 -0.646) 0.759 4.057 ( -1.495 0.577 0.456) 1.667 4.962 ( 16.688 0.306 0.054) 16.691 5.199 ( -2.082 -1.803 -0.207) 2.762 5.795 ( 13.912 5.589 0.246) 14.994 6.824 ( 25.672 -0.804 0.005) 25.684 8.322 ( -8.601 4.211 -0.045) 9.577 8.612 ( -17.073 3.782 0.314) 17.490 13.043 ( -3.626 2.997 -0.049) 4.705 13.226 ( -6.701 -14.271 0.066) 15.766 14.438 ( 11.036 0.140 -0.004) 11.037 17.809 ( 19.498 5.183 -0.005) 20.175 19.041 ( -13.443 -6.282 -0.143) 14.839 19.811 ( -23.071 -4.090 0.047) 23.431 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( 6.243 -0.000 -0.000) 6.243 3.564 ( 5.913 -0.000 -0.000) 5.913 3.715 ( -0.311 0.000 0.000) 0.311 3.855 ( -3.999 0.000 0.000) 3.999 4.039 ( -0.794 0.000 0.000) 0.794 4.042 ( 0.748 -0.000 -0.000) 0.748 5.132 ( 3.942 -0.000 -0.000) 3.942 5.146 ( -1.681 0.000 0.000) 1.681 6.175 ( 22.033 -0.000 -0.000) 22.033 7.258 ( 23.681 -0.000 -0.000) 23.681 8.168 ( -10.325 0.000 0.000) 10.325 8.322 ( -17.537 0.000 0.000) 17.537 12.962 ( -6.707 0.000 0.000) 6.707 13.051 ( -4.828 0.000 0.000) 4.828 14.656 ( 11.775 -0.000 -0.000) 11.775 18.210 ( 22.243 -0.000 -0.000) 22.243 18.787 ( -9.814 0.000 0.000) 9.814 19.355 ( -26.599 0.000 0.000) 26.599 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 0.000 1.809 -0.236) 1.824 3.184 ( -0.000 5.359 0.216) 5.363 3.607 ( -0.000 11.147 -0.531) 11.159 3.916 ( -0.000 5.938 0.631) 5.971 3.964 ( -0.000 2.314 0.077) 2.315 4.048 ( 0.000 1.573 -1.037) 1.884 4.110 ( -0.000 2.376 0.933) 2.553 5.295 ( -0.000 6.597 -0.561) 6.621 5.829 ( 0.000 -14.452 0.869) 14.478 5.857 ( -0.000 2.822 -0.025) 2.823 8.464 ( -0.000 13.494 -0.220) 13.496 9.041 ( -0.000 8.962 0.771) 8.995 12.836 ( 0.000 -8.473 0.071) 8.473 13.727 ( 0.000 -11.799 -0.318) 11.803 14.341 ( 0.000 -8.107 0.075) 8.107 17.165 ( 0.000 -0.467 -0.071) 0.473 19.537 ( 0.000 -1.699 0.031) 1.700 20.526 ( 0.000 -6.357 -0.118) 6.358 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 3.675 0.956 -0.105) 3.798 3.255 ( 3.426 2.294 0.087) 4.124 3.690 ( 0.200 5.255 -0.366) 5.271 3.946 ( -0.862 4.906 0.736) 5.036 4.042 ( -0.286 -0.880 -0.963) 1.336 4.105 ( 0.986 0.798 0.591) 1.400 4.179 ( 15.690 1.503 0.061) 15.762 5.327 ( -4.178 5.366 -0.439) 6.814 5.659 ( -1.587 -6.210 0.599) 6.437 6.049 ( 16.551 -1.485 -0.021) 16.618 8.538 ( -3.394 7.035 -0.157) 7.812 9.049 ( -6.927 4.418 0.416) 8.226 12.846 ( 7.922 -3.982 0.035) 8.867 13.564 ( -7.995 -6.737 -0.130) 10.456 14.277 ( 0.069 -3.590 0.033) 3.591 17.253 ( 10.169 0.247 -0.038) 10.172 19.457 ( -7.568 -1.419 -0.001) 7.700 20.396 ( -9.311 -3.387 -0.046) 9.908 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( 6.176 -0.000 -0.000) 6.176 3.344 ( 5.614 -0.000 -0.000) 5.614 3.718 ( 0.147 -0.000 -0.000) 0.147 3.954 ( -1.782 0.000 0.000) 1.782 4.029 ( -0.038 0.000 0.000) 0.038 4.091 ( -1.747 0.000 0.000) 1.747 4.572 ( 25.562 -0.000 -0.000) 25.562 5.261 ( -4.968 0.000 0.000) 4.968 5.662 ( 4.469 -0.000 -0.000) 4.469 6.389 ( 23.233 -0.000 -0.000) 23.233 8.484 ( -6.790 0.000 0.000) 6.790 8.897 ( -13.059 0.000 0.000) 13.059 12.990 ( 9.053 -0.000 -0.000) 9.053 13.341 ( -12.570 0.000 0.000) 12.570 14.295 ( 4.635 -0.000 -0.000) 4.635 17.501 ( 17.483 -0.000 -0.000) 17.483 19.260 ( -13.542 0.000 0.000) 13.542 20.146 ( -17.426 0.000 0.000) 17.426 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( -0.000 0.000 0.000) 0.000 3.237 ( -0.000 -0.000 0.000) 0.000 3.715 ( -0.000 0.000 0.000) 0.000 3.988 ( -0.000 0.000 0.000) 0.000 4.010 ( -0.000 0.000 0.000) 0.000 4.033 ( 0.000 -0.000 -0.000) 0.000 4.134 ( -0.000 0.000 0.000) 0.000 5.425 ( -0.000 0.000 0.000) 0.000 5.616 ( -0.000 0.000 0.000) 0.000 5.885 ( -0.000 0.000 0.000) 0.000 8.604 ( -0.000 0.000 0.000) 0.000 9.131 ( -0.000 0.000 0.000) 0.000 12.751 ( -0.000 0.000 0.000) 0.000 13.606 ( -0.000 0.000 0.000) 0.000 14.259 ( -0.000 0.000 0.000) 0.000 17.161 ( -0.000 0.000 0.000) 0.000 19.519 ( -0.000 0.000 0.000) 0.000 20.460 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.053 ( -0.000 0.000 8.374) 8.374 0.053 ( -0.000 0.000 8.374) 8.374 0.083 ( -0.000 0.000 13.778) 13.778 2.495 ( 0.000 -0.000 -0.216) 0.216 2.495 ( 0.000 -0.000 -0.216) 0.216 3.603 ( -0.000 0.000 0.068) 0.068 3.603 ( -0.000 0.000 0.068) 0.068 3.980 ( 0.000 -0.000 -0.883) 0.883 5.043 ( 0.000 -0.000 -0.017) 0.017 5.043 ( 0.000 -0.000 -0.017) 0.017 6.220 ( 0.000 -0.000 -1.359) 1.359 8.529 ( -0.000 0.000 3.562) 3.562 14.828 ( 0.000 -0.000 -0.031) 0.031 14.828 ( 0.000 -0.000 -0.031) 0.031 17.118 ( -0.000 0.000 0.428) 0.428 17.334 ( 0.000 0.000 -0.001) 0.001 17.334 ( 0.000 -0.000 -0.001) 0.001 19.468 ( 0.000 -0.000 -1.282) 1.282 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 19.722 11.386 3.976) 23.117 0.653 ( 27.462 15.855 1.571) 31.750 1.074 ( 45.566 26.307 0.036) 52.615 2.530 ( 2.983 1.722 -0.340) 3.461 2.629 ( 10.552 6.092 0.417) 12.191 3.614 ( 0.912 0.526 0.107) 1.058 3.794 ( -6.293 -3.633 -2.369) 7.643 4.268 ( 16.363 9.447 -8.663) 20.786 5.078 ( 3.001 1.732 -0.067) 3.466 5.229 ( 13.193 7.617 0.269) 15.237 6.071 ( 3.656 2.111 4.725) 6.336 8.453 ( -6.537 -3.774 3.240) 8.214 14.753 ( -6.391 -3.690 -0.117) 7.381 16.740 ( -16.910 -9.763 -21.565) 29.092 17.013 ( -22.193 -12.813 2.947) 25.795 17.327 ( -0.630 -0.364 0.083) 0.732 18.639 ( 42.410 24.486 -26.196) 55.538 19.692 ( 24.586 14.195 -28.552) 40.264 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 27.222 15.717 1.784) 31.484 1.273 ( 25.954 14.985 1.172) 29.992 2.063 ( 39.640 22.886 -0.175) 45.773 2.624 ( 5.078 2.932 -0.414) 5.878 2.930 ( 14.452 8.344 1.264) 16.736 3.645 ( 1.772 1.023 0.156) 2.052 3.679 ( -3.223 -1.861 -1.094) 3.879 4.669 ( 20.341 11.744 -5.802) 24.193 5.176 ( 5.440 3.141 -0.115) 6.283 5.469 ( 4.989 2.881 -1.259) 5.897 6.346 ( 20.336 11.741 3.938) 23.809 8.264 ( -9.886 -5.708 4.114) 12.135 14.540 ( -11.931 -6.888 -0.131) 13.777 16.245 ( -21.917 -12.654 -8.458) 26.683 16.439 ( -26.439 -15.265 1.105) 30.549 17.306 ( -1.171 -0.676 0.100) 1.356 19.210 ( 15.392 8.887 7.670) 19.357 20.311 ( 28.576 16.499 -21.769) 39.531 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 28.635 16.533 1.038) 33.082 1.843 ( 23.296 13.450 0.954) 26.917 2.752 ( 5.883 3.397 -0.432) 6.807 2.862 ( 29.532 17.050 -0.891) 34.112 3.267 ( 14.106 8.144 2.138) 16.428 3.641 ( -0.005 -0.003 -0.812) 0.812 3.695 ( 2.490 1.438 0.210) 2.883 5.181 ( 24.569 14.185 -3.911) 28.638 5.320 ( 6.903 3.986 -0.149) 7.972 5.477 ( -2.344 -1.353 -1.740) 3.218 6.932 ( 27.234 15.724 2.222) 31.526 8.050 ( -8.551 -4.937 5.041) 11.086 14.216 ( -15.894 -9.176 -0.070) 18.353 15.707 ( -24.251 -14.001 -2.540) 28.117 15.851 ( -23.872 -13.782 -1.286) 27.595 17.275 ( -1.484 -0.857 0.047) 1.714 19.479 ( 7.626 4.403 4.030) 9.684 20.787 ( 14.634 8.449 -8.457) 18.896 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 26.998 15.588 0.587) 31.181 2.340 ( 19.544 11.284 0.753) 22.581 2.884 ( 5.585 3.225 -0.408) 6.462 3.413 ( 18.849 10.883 -2.094) 21.866 3.563 ( 10.182 5.878 2.378) 11.995 3.682 ( 4.542 2.622 -0.021) 5.244 3.759 ( 3.007 1.736 0.254) 3.481 5.384 ( -4.063 -2.346 -0.910) 4.778 5.484 ( 7.209 4.162 -0.154) 8.325 5.744 ( 22.133 12.779 -2.698) 25.699 7.476 ( 16.225 9.367 0.830) 18.753 7.992 ( 6.661 3.846 4.850) 9.093 13.826 ( -17.648 -10.189 0.031) 20.378 15.123 ( -25.620 -14.792 -1.221) 29.609 15.346 ( -20.120 -11.616 -1.040) 23.255 17.240 ( -1.520 -0.878 -0.040) 1.756 19.594 ( 2.240 1.293 1.180) 2.842 20.953 ( 1.497 0.864 -2.607) 3.128 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 14.793 8.541 0.544) 17.090 2.824 ( 23.388 13.503 0.167) 27.006 3.001 ( 4.593 2.652 -0.355) 5.315 3.706 ( 4.921 2.841 -0.110) 5.684 3.745 ( 10.415 6.013 -1.887) 12.173 3.832 ( 3.307 1.909 0.264) 3.828 3.872 ( 9.127 5.269 2.181) 10.762 5.295 ( -3.062 -1.768 -0.936) 3.658 5.642 ( 6.396 3.693 -0.128) 7.387 6.090 ( 6.448 3.723 -0.250) 7.450 7.736 ( 12.017 6.938 1.044) 13.915 8.364 ( 19.593 11.312 2.227) 22.733 13.425 ( -16.772 -9.683 0.112) 19.367 14.549 ( -23.574 -13.610 -1.062) 27.242 14.916 ( -17.101 -9.874 -0.329) 19.750 17.207 ( -1.303 -0.753 -0.110) 1.509 19.604 ( -1.116 -0.644 0.100) 1.292 20.885 ( -6.171 -3.563 -0.607) 7.151 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 9.437 5.448 0.312) 10.901 3.091 ( 3.273 1.890 -0.251) 3.788 3.301 ( 17.714 10.227 -0.260) 20.457 3.817 ( 4.915 2.838 0.341) 5.685 3.909 ( 3.165 1.827 0.210) 3.660 3.926 ( 5.686 3.283 -1.269) 6.687 4.047 ( 5.466 3.156 1.264) 6.437 5.258 ( 0.401 0.232 -0.778) 0.905 5.771 ( 4.705 2.716 -0.081) 5.433 6.056 ( -7.675 -4.431 1.098) 8.930 8.098 ( 17.653 10.192 0.106) 20.385 8.773 ( 14.751 8.516 1.214) 17.076 13.076 ( -13.182 -7.611 0.128) 15.222 14.057 ( -18.573 -10.723 -0.756) 21.460 14.568 ( -12.883 -7.438 -0.012) 14.876 17.181 ( -0.916 -0.529 -0.121) 1.065 19.561 ( -2.214 -1.278 -0.107) 2.559 20.710 ( -8.101 -4.677 -0.102) 9.354 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 1.808 1.044 -0.325) 2.113 3.179 ( 4.293 2.478 0.304) 4.966 3.620 ( 9.789 5.652 -0.566) 11.318 3.925 ( 3.972 2.293 0.990) 4.692 3.971 ( 2.047 1.182 0.078) 2.365 4.010 ( 2.063 1.191 -0.814) 2.518 4.128 ( 1.666 0.962 0.396) 1.964 5.322 ( 5.340 3.083 -0.621) 6.197 5.822 ( -11.454 -6.613 0.929) 13.258 5.854 ( 2.475 1.429 -0.025) 2.858 8.459 ( 12.194 7.040 -0.221) 14.083 9.028 ( 7.146 4.126 0.773) 8.288 12.837 ( -7.281 -4.204 0.071) 8.408 13.717 ( -10.391 -5.999 -0.324) 12.003 14.336 ( -7.040 -4.064 0.078) 8.129 17.165 ( -0.454 -0.262 -0.070) 0.529 19.516 ( -1.519 -0.877 0.024) 1.754 20.547 ( -5.413 -3.125 -0.110) 6.252 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 0.051 0.029 -0.193) 0.202 3.228 ( -0.061 -0.035 0.114) 0.134 3.737 ( 0.215 0.124 -0.281) 0.376 3.971 ( -0.601 -0.347 0.399) 0.800 3.995 ( -0.038 -0.022 -0.091) 0.101 4.036 ( 0.524 0.302 0.115) 0.615 4.142 ( -0.131 -0.076 -0.141) 0.207 5.445 ( 0.298 0.172 -0.258) 0.430 5.623 ( -0.452 -0.261 -0.082) 0.529 5.883 ( 0.014 0.008 0.033) 0.036 8.607 ( 0.102 0.059 -0.041) 0.125 9.108 ( -0.187 -0.108 0.302) 0.371 12.752 ( -0.022 -0.013 -0.018) 0.031 13.596 ( 0.105 0.060 0.122) 0.171 14.254 ( -0.014 -0.008 0.066) 0.068 17.160 ( 0.020 0.011 0.005) 0.023 19.498 ( 0.042 0.024 0.250) 0.255 20.482 ( -0.021 -0.012 -0.258) 0.259 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( -1.620 -0.935 -0.056) 1.871 3.176 ( -4.511 -2.604 -0.101) 5.210 3.625 ( -9.798 -5.657 0.135) 11.314 3.913 ( -3.875 -2.237 -0.761) 4.539 3.969 ( -2.106 -1.216 -0.220) 2.441 4.024 ( -1.893 -1.093 1.339) 2.563 4.121 ( -2.003 -1.157 -0.740) 2.429 5.325 ( -5.292 -3.055 -0.213) 6.114 5.813 ( 11.307 6.528 -0.487) 13.065 5.855 ( -2.449 -1.414 0.089) 2.829 8.462 ( -12.147 -7.013 0.282) 14.029 9.021 ( -7.455 -4.304 -0.261) 8.613 12.836 ( 7.251 4.186 -0.075) 8.373 13.722 ( 10.571 6.103 0.437) 12.214 14.336 ( 7.038 4.063 0.053) 8.127 17.166 ( 0.481 0.278 0.053) 0.558 19.518 ( 1.573 0.908 0.438) 1.868 20.545 ( 5.410 3.123 -0.372) 6.258 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( -9.609 -5.548 -0.208) 11.097 3.093 ( -3.152 -1.820 -0.072) 3.640 3.301 ( -17.938 -10.357 -0.259) 20.715 3.810 ( -4.702 -2.715 -0.624) 5.466 3.905 ( -3.185 -1.839 -0.256) 3.686 3.946 ( -5.362 -3.096 1.887) 6.473 4.030 ( -5.946 -3.433 -1.494) 7.027 5.261 ( -0.260 -0.150 -0.334) 0.449 5.772 ( -4.683 -2.704 0.138) 5.409 6.049 ( 7.950 4.590 0.077) 9.180 8.100 ( -17.904 -10.337 0.352) 20.676 8.760 ( -15.120 -8.729 -0.788) 17.476 13.075 ( 13.185 7.612 -0.058) 15.224 14.065 ( 18.689 10.790 0.513) 21.587 14.569 ( 12.949 7.476 0.102) 14.952 17.182 ( 0.916 0.529 0.037) 1.058 19.565 ( 2.160 1.247 0.468) 2.538 20.709 ( 8.243 4.759 -0.307) 9.523 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -14.920 -8.614 -0.434) 17.233 2.818 ( -23.570 -13.608 -0.780) 27.228 3.004 ( -4.523 -2.612 0.015) 5.223 3.701 ( -4.937 -2.851 -0.728) 5.748 3.773 ( -10.550 -6.091 2.108) 12.364 3.829 ( -3.299 -1.904 -0.214) 3.815 3.847 ( -8.966 -5.176 -1.586) 10.473 5.298 ( 3.172 1.832 -0.451) 3.691 5.644 ( -6.383 -3.685 0.170) 7.373 6.100 ( -5.529 -3.192 1.294) 6.514 7.731 ( -12.284 -7.092 0.370) 14.190 8.339 ( -20.463 -11.814 -1.591) 23.682 13.425 ( 16.804 9.702 0.026) 19.404 14.559 ( 23.635 13.646 0.353) 27.293 14.919 ( 17.261 9.966 0.175) 19.932 17.208 ( 1.277 0.737 -0.041) 1.475 19.604 ( 0.793 0.458 0.180) 0.933 20.890 ( 6.709 3.874 0.144) 7.748 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -27.111 -15.653 -1.082) 31.324 2.331 ( -19.649 -11.345 -0.588) 22.697 2.887 ( -5.534 -3.195 0.063) 6.391 3.424 ( -19.194 -11.082 -0.479) 22.169 3.549 ( -10.646 -6.147 0.461) 12.302 3.681 ( -3.788 -2.187 -0.187) 4.378 3.756 ( -2.987 -1.725 -0.144) 3.452 5.384 ( 3.854 2.225 -0.896) 4.539 5.486 ( -7.211 -4.163 0.173) 8.328 5.777 ( -21.037 -12.146 2.428) 24.412 7.478 ( -16.514 -9.534 1.066) 19.099 7.943 ( -7.283 -4.205 -2.614) 8.806 13.827 ( 17.689 10.212 0.128) 20.425 15.132 ( 25.821 14.908 0.206) 29.816 15.353 ( 20.277 11.707 -0.025) 23.414 17.240 ( 1.486 0.858 -0.139) 1.722 19.582 ( -3.143 -1.815 -0.669) 3.691 20.978 ( 0.009 0.005 1.252) 1.252 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -28.737 -16.591 -1.121) 33.202 1.833 ( -23.385 -13.501 -0.651) 27.010 2.755 ( -5.854 -3.380 0.070) 6.760 2.864 ( -29.654 -17.121 -0.662) 34.248 3.258 ( -14.072 -8.125 0.734) 16.266 3.645 ( 0.153 0.088 -0.114) 0.210 3.693 ( -2.469 -1.425 -0.074) 2.852 5.210 ( -23.061 -13.315 0.467) 26.633 5.322 ( -6.921 -3.996 0.143) 7.993 5.493 ( 1.549 0.894 0.750) 1.939 6.915 ( -28.322 -16.352 -0.476) 32.707 8.011 ( 8.867 5.119 -0.720) 10.264 14.218 ( 15.916 9.189 0.189) 18.379 15.732 ( 25.973 14.996 1.261) 30.018 15.847 ( 22.869 13.203 -1.849) 26.471 17.274 ( 1.467 0.847 -0.201) 1.706 19.438 ( -9.449 -5.455 -2.304) 11.152 20.861 ( -11.163 -6.445 2.901) 13.213 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -27.436 -15.840 -0.816) 31.690 1.261 ( -26.042 -15.035 -0.601) 30.076 2.062 ( -39.510 -22.811 -0.202) 45.623 2.627 ( -5.078 -2.932 0.023) 5.863 2.926 ( -14.418 -8.324 0.765) 16.666 3.644 ( -1.754 -1.013 -0.015) 2.025 3.685 ( 3.425 1.978 -0.184) 3.959 4.707 ( -19.772 -11.416 -0.074) 22.831 5.178 ( -5.466 -3.156 0.092) 6.313 5.476 ( -5.404 -3.120 -0.225) 6.244 6.314 ( -20.748 -11.979 -0.968) 23.977 8.241 ( 10.076 5.817 0.678) 11.654 14.542 ( 11.918 6.881 0.172) 13.763 16.322 ( 24.618 14.213 3.137) 28.599 16.395 ( 25.424 14.679 -5.488) 29.866 17.304 ( 1.187 0.685 -0.191) 1.384 19.129 ( -16.762 -9.677 -5.070) 20.008 20.470 ( -22.918 -13.231 2.553) 26.586 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( -0.000 21.893 3.836) 22.226 0.642 ( -0.000 31.629 0.490) 31.633 1.082 ( -0.000 52.110 0.848) 52.117 2.530 ( -0.000 3.492 -0.283) 3.504 2.633 ( -0.000 12.466 0.780) 12.491 3.613 ( -0.000 1.036 0.097) 1.040 3.792 ( 0.000 -6.864 -2.583) 7.334 4.260 ( 0.000 20.367 -9.271) 22.378 5.079 ( -0.000 3.509 0.010) 3.509 5.216 ( -0.000 15.246 -0.523) 15.255 6.064 ( -0.000 2.725 3.988) 4.830 8.460 ( -0.000 -7.641 3.947) 8.601 14.755 ( 0.000 -7.297 0.047) 7.297 16.717 ( 0.000 -14.741 -25.567) 29.513 17.000 ( 0.000 -28.826 2.393) 28.925 17.325 ( 0.000 -0.815 -0.101) 0.821 18.435 ( 0.000 56.111 -38.811) 68.226 19.768 ( 0.000 32.742 -20.430) 38.593 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 15.393 24.827 2.209) 29.294 1.164 ( 17.296 28.451 0.673) 33.303 1.790 ( 23.231 40.331 -0.140) 46.544 2.597 ( 2.742 4.929 -0.395) 5.654 2.846 ( 7.768 14.145 1.603) 16.217 3.644 ( 1.441 2.415 0.132) 2.816 3.695 ( -2.657 -4.445 -1.483) 5.387 4.530 ( 9.718 18.558 -6.521) 21.940 5.188 ( 4.124 7.630 -0.554) 8.691 5.402 ( 4.958 8.135 -0.893) 9.569 6.216 ( 9.484 13.433 3.603) 16.834 8.331 ( -5.364 -9.528 4.521) 11.832 14.622 ( -5.622 -9.420 -0.010) 10.970 16.377 ( -13.106 -18.451 -13.030) 26.115 16.569 ( -13.868 -29.394 1.359) 32.530 17.293 ( -0.813 -1.734 0.002) 1.915 19.065 ( 20.015 20.392 0.086) 28.573 20.141 ( 10.527 33.418 -22.406) 41.589 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 23.193 23.252 1.236) 32.865 1.731 ( 15.929 26.773 0.721) 31.162 2.567 ( 26.251 25.960 -0.950) 36.932 2.714 ( 4.563 6.431 -0.454) 7.898 3.151 ( 10.962 12.441 2.534) 16.774 3.629 ( -0.779 -1.882 -1.118) 2.323 3.711 ( 1.712 5.261 0.141) 5.535 4.926 ( 17.237 15.438 -4.471) 23.568 5.352 ( 3.036 13.580 -0.758) 13.936 5.474 ( 0.645 -1.402 -1.658) 2.265 6.676 ( 21.477 19.697 3.118) 29.308 8.131 ( -7.350 -9.168 5.254) 12.872 14.378 ( -11.717 -9.321 -0.031) 14.972 15.896 ( -18.162 -19.732 -4.512) 27.195 16.017 ( -17.399 -24.619 -1.442) 30.181 17.267 ( 0.012 -2.260 0.034) 2.260 19.450 ( 7.534 11.008 4.968) 14.235 20.604 ( 14.728 16.778 -12.419) 25.547 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 24.466 20.960 0.645) 32.223 2.238 ( 13.582 23.092 0.634) 26.798 2.844 ( 4.539 5.973 -0.477) 7.517 3.192 ( 20.455 16.017 -1.961) 26.054 3.460 ( 10.729 9.646 3.124) 14.762 3.627 ( 2.165 0.000 -0.728) 2.284 3.806 ( 0.812 9.375 0.131) 9.411 5.335 ( 14.259 5.528 -1.744) 15.393 5.409 ( -1.785 -2.475 -0.870) 3.173 5.632 ( 9.903 21.039 -2.218) 23.359 7.261 ( 21.985 16.204 1.508) 27.353 7.964 ( -2.363 -5.468 5.517) 8.119 14.043 ( -16.564 -8.222 0.008) 18.492 15.345 ( -20.855 -20.951 -1.424) 29.596 15.504 ( -16.381 -19.415 -1.827) 25.468 17.248 ( -0.233 -1.123 -0.020) 1.147 19.608 ( 0.894 5.913 2.003) 6.307 20.867 ( 7.091 1.226 -4.399) 8.434 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 22.768 17.789 0.188) 28.893 2.654 ( 10.734 17.912 0.510) 20.888 2.974 ( 3.710 5.898 -0.438) 6.982 3.587 ( 11.938 7.072 -2.321) 14.068 3.658 ( 5.166 3.688 0.291) 6.354 3.763 ( 9.631 6.154 2.363) 11.671 3.921 ( -0.929 13.573 0.057) 13.605 5.313 ( -2.654 -3.854 -1.367) 4.875 5.570 ( 7.417 4.075 0.079) 8.463 6.034 ( 10.228 16.040 -1.136) 19.057 7.631 ( 8.252 6.604 1.562) 10.684 8.111 ( 18.793 5.481 3.246) 19.843 13.660 ( -18.627 -6.659 0.063) 19.781 14.777 ( -21.536 -18.500 -1.163) 28.415 15.055 ( -14.295 -16.822 -0.670) 22.085 17.238 ( -1.015 1.257 -0.092) 1.619 19.628 ( -2.195 0.798 0.380) 2.366 20.875 ( -0.428 -8.149 -1.195) 8.247 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 7.412 12.267 0.372) 14.337 3.062 ( 8.198 7.174 -0.314) 10.899 3.116 ( 13.108 11.933 -0.272) 17.728 3.731 ( 5.318 1.512 -0.264) 5.535 3.845 ( 7.416 4.892 -0.965) 8.936 3.971 ( 7.173 4.093 1.640) 8.420 4.037 ( -3.249 16.551 0.018) 16.867 5.246 ( -0.653 -2.385 -1.155) 2.729 5.705 ( 5.012 1.259 0.366) 5.181 6.197 ( -4.922 8.242 0.545) 9.615 7.897 ( 15.402 8.485 0.753) 17.600 8.535 ( 20.315 4.877 1.501) 20.947 13.291 ( -17.299 -4.219 0.096) 17.807 14.245 ( -19.405 -16.067 -0.848) 25.208 14.682 ( -11.496 -12.687 -0.125) 17.121 17.238 ( -2.218 4.349 -0.128) 4.883 19.569 ( -2.508 -3.573 -0.063) 4.365 20.725 ( -3.780 -12.174 -0.264) 12.750 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 1.283 5.434 -0.357) 5.594 3.158 ( 3.372 6.496 0.292) 7.325 3.491 ( 12.859 8.679 -0.514) 15.522 3.843 ( 5.577 1.832 0.385) 5.883 3.973 ( 3.723 2.036 -0.524) 4.276 4.089 ( 2.547 1.980 0.621) 3.285 4.132 ( -4.949 16.553 0.090) 17.277 5.253 ( 3.481 -0.320 -0.929) 3.617 5.753 ( 1.446 -4.517 0.764) 4.804 6.115 ( -12.449 10.361 0.490) 16.204 8.273 ( 16.636 6.914 -0.027) 18.015 8.867 ( 14.214 0.451 0.968) 14.254 13.002 ( -13.118 -0.241 0.089) 13.120 13.809 ( -12.854 -13.930 -0.428) 18.959 14.414 ( -7.973 -7.025 0.053) 10.626 17.246 ( -3.674 7.294 -0.105) 8.168 19.489 ( -0.511 -6.446 0.011) 6.467 20.539 ( -2.684 -12.241 -0.154) 12.533 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( -0.909 3.674 -0.301) 3.797 3.247 ( 0.144 4.047 0.204) 4.055 3.704 ( 5.006 2.933 -0.567) 5.830 3.940 ( 2.907 0.532 0.937) 3.100 4.023 ( 1.335 0.595 -0.526) 1.553 4.111 ( -1.257 1.378 0.251) 1.882 4.189 ( -6.257 13.828 -0.078) 15.178 5.343 ( 6.677 -1.423 -0.647) 6.858 5.666 ( -4.379 -4.245 0.518) 6.121 6.047 ( -9.322 13.755 0.005) 16.617 8.538 ( 8.168 0.813 -0.159) 8.210 9.031 ( 6.744 -4.054 0.644) 7.895 12.847 ( -7.315 4.734 0.034) 8.714 13.553 ( -1.877 -10.246 -0.006) 10.417 14.274 ( -3.221 -1.623 0.079) 3.607 17.253 ( -4.918 9.016 -0.042) 10.270 19.436 ( 2.567 -7.238 0.244) 7.683 20.416 ( 1.771 -9.800 -0.286) 9.963 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( -2.597 2.662 -0.244) 3.727 3.246 ( -3.734 1.868 0.109) 4.176 3.709 ( -4.653 -2.680 -0.101) 5.370 3.928 ( -2.560 -2.570 -0.222) 3.634 4.037 ( -0.472 -0.521 0.954) 1.185 4.104 ( -0.989 1.555 -0.460) 1.900 4.187 ( -8.996 12.261 -0.278) 15.210 5.348 ( -1.842 -6.271 -0.130) 6.538 5.655 ( 5.276 1.303 -0.510) 5.459 6.047 ( -7.254 14.966 0.064) 16.632 8.541 ( -4.566 -6.575 0.099) 8.006 9.026 ( -0.361 -8.134 0.171) 8.144 12.846 ( -0.499 8.694 -0.022) 8.708 13.557 ( 10.088 -3.401 0.307) 10.651 14.274 ( 2.992 1.973 0.064) 3.585 17.254 ( -5.294 8.790 0.014) 10.261 19.439 ( 5.102 -5.749 0.462) 7.700 20.415 ( 7.550 -6.476 -0.431) 9.956 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( -6.678 0.470 -0.478) 6.711 3.157 ( -6.053 1.501 0.266) 6.242 3.496 ( -14.172 -6.882 -0.094) 15.755 3.832 ( -4.045 -3.682 -0.516) 5.494 3.994 ( -3.563 -2.028 1.538) 4.379 4.072 ( -3.321 -1.961 -1.152) 4.025 4.128 ( -11.932 12.860 -0.288) 17.545 5.260 ( -1.457 -2.844 -0.315) 3.211 5.741 ( 3.778 -3.859 -0.315) 5.410 6.112 ( -3.184 16.164 0.245) 16.477 8.277 ( -14.412 -11.102 0.349) 18.195 8.853 ( -7.952 -12.281 -0.328) 14.635 13.001 ( 6.725 11.309 -0.012) 13.158 13.817 ( 18.754 4.115 0.379) 19.204 14.415 ( 10.109 3.438 0.088) 10.678 17.247 ( -4.450 6.820 0.018) 8.143 19.495 ( 5.844 -2.701 0.559) 6.462 20.536 ( 12.018 -3.799 -0.461) 12.613 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -14.497 -0.319 -0.263) 14.503 3.064 ( -11.224 -3.938 -0.188) 11.896 3.115 ( -16.292 -4.853 -0.421) 17.004 3.727 ( -3.710 -3.541 -0.395) 5.144 3.874 ( -7.610 -3.712 1.941) 8.687 3.938 ( -7.805 -4.631 -1.819) 9.256 4.035 ( -12.538 10.960 -0.137) 16.654 5.254 ( 2.440 -0.243 -0.485) 2.499 5.700 ( -3.091 -4.112 -0.026) 5.144 6.201 ( -4.161 8.981 0.885) 9.938 7.894 ( -15.551 -9.488 0.485) 18.224 8.511 ( -15.176 -15.465 -0.842) 21.684 13.290 ( 12.276 12.984 0.049) 17.869 14.256 ( 23.847 8.617 0.192) 25.357 14.685 ( 16.884 3.739 0.158) 17.293 17.239 ( -2.666 4.059 -0.036) 4.856 19.574 ( 4.090 0.361 0.432) 4.129 20.726 ( 12.865 -2.684 -0.260) 13.145 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -27.153 -10.632 -0.839) 29.172 2.645 ( -21.066 -0.268 -0.381) 21.071 2.979 ( -6.889 -0.202 -0.053) 6.893 3.604 ( -10.087 -5.794 -0.921) 11.669 3.669 ( -9.383 -3.846 1.719) 10.285 3.729 ( -8.493 -5.059 -1.001) 9.936 3.919 ( -11.317 7.553 -0.099) 13.607 5.322 ( 4.662 0.877 -0.724) 4.799 5.569 ( -6.960 -4.524 0.106) 8.302 6.061 ( -17.757 -0.716 1.503) 17.835 7.628 ( -9.342 -3.556 1.268) 10.076 8.059 ( -16.247 -14.436 -1.676) 21.798 13.661 ( 15.083 12.878 0.122) 19.833 14.788 ( 27.008 9.253 -0.136) 28.549 15.063 ( 21.996 4.198 0.112) 22.394 17.238 ( -0.618 1.478 -0.110) 1.606 19.624 ( -0.422 2.072 -0.006) 2.115 20.890 ( 8.594 -3.325 0.242) 9.218 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -30.722 -10.335 -0.827) 32.424 2.227 ( -26.995 0.041 -0.401) 26.998 2.849 ( -7.385 -0.918 -0.045) 7.443 3.204 ( -24.625 -9.566 -0.929) 26.434 3.437 ( -13.587 -4.842 1.120) 14.468 3.632 ( -0.689 -1.653 -0.195) 1.802 3.804 ( -8.539 4.003 -0.086) 9.431 5.351 ( -11.633 -8.664 -0.535) 14.514 5.412 ( 3.556 0.815 -0.433) 3.674 5.670 ( -22.679 0.458 1.254) 22.719 7.254 ( -26.516 -11.639 0.662) 28.965 7.900 ( 6.136 -0.073 -0.260) 6.142 14.044 ( 15.430 10.214 0.160) 18.505 15.360 ( 29.434 7.656 -0.189) 30.414 15.515 ( 24.921 4.774 -0.613) 25.381 17.247 ( 1.047 -0.334 -0.149) 1.109 19.580 ( -7.446 2.029 -0.657) 7.746 20.920 ( -1.316 -5.144 0.669) 5.352 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -32.173 -7.772 -0.384) 33.101 1.721 ( -31.367 0.164 -0.227) 31.368 2.571 ( -35.919 -9.425 -0.564) 37.139 2.718 ( -7.748 -0.768 -0.124) 7.787 3.137 ( -16.008 -3.731 1.186) 16.480 3.636 ( 2.185 -0.162 -0.314) 2.214 3.709 ( -5.378 1.186 -0.016) 5.508 4.963 ( -20.518 -7.778 -0.932) 21.962 5.359 ( -13.073 4.257 -0.260) 13.751 5.490 ( 0.305 -1.607 -0.247) 1.655 6.647 ( -29.037 -8.271 0.335) 30.194 8.089 ( 11.783 2.188 1.509) 12.079 14.379 ( 13.960 5.342 0.120) 14.948 15.953 ( 31.375 6.109 0.732) 31.972 15.998 ( 26.265 3.366 -3.133) 26.664 17.266 ( 1.922 -1.013 -0.112) 2.176 19.393 ( -15.984 1.209 -0.785) 16.049 20.719 ( -15.592 -6.405 -1.301) 16.906 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -0.000 30.835 1.112) 30.855 1.259 ( -0.000 29.979 0.317) 29.981 2.058 ( -0.000 44.930 -0.484) 44.933 2.625 ( -0.000 5.865 -0.366) 5.877 2.947 ( -0.000 17.200 2.351) 17.360 3.644 ( -0.000 2.017 0.130) 2.022 3.675 ( 0.000 -3.775 -1.464) 4.049 4.666 ( 0.000 24.235 -6.097) 24.991 5.178 ( -0.000 6.334 0.015) 6.334 5.464 ( 0.000 6.280 -1.403) 6.435 6.326 ( -0.000 23.575 2.843) 23.746 8.279 ( -0.000 -11.716 4.954) 12.720 14.544 ( 0.000 -13.714 0.113) 13.714 16.259 ( 0.000 -21.801 -11.222) 24.519 16.373 ( 0.000 -32.751 0.481) 32.754 17.302 ( 0.000 -1.415 -0.171) 1.425 19.089 ( -0.000 23.553 -1.207) 23.584 20.381 ( 0.000 31.968 -15.319) 35.449 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 9.770 31.086 0.823) 32.596 1.722 ( 16.052 26.916 0.338) 31.341 2.559 ( 9.829 35.287 -1.295) 36.653 2.714 ( 3.137 7.011 -0.455) 7.694 3.165 ( 4.664 16.162 3.089) 17.103 3.626 ( -1.210 -1.654 -1.297) 2.426 3.709 ( 3.790 4.039 0.106) 5.539 4.928 ( 3.818 23.021 -4.407) 23.748 5.351 ( 9.537 8.697 -0.803) 12.932 5.479 ( -1.396 1.093 -1.439) 2.283 6.668 ( 7.706 28.715 2.878) 29.870 8.135 ( -3.852 -11.515 5.391) 13.285 14.381 ( -2.435 -14.702 0.098) 14.902 15.921 ( -11.076 -24.522 -5.326) 27.429 15.968 ( -8.524 -28.123 -1.622) 29.431 17.264 ( -1.718 -1.215 -0.087) 2.106 19.405 ( 10.741 12.707 2.613) 16.842 20.643 ( 1.724 21.646 -10.253) 24.014 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 16.797 27.717 0.494) 32.413 2.252 ( 14.449 24.195 0.414) 28.184 2.835 ( 4.121 7.236 -0.521) 8.344 3.074 ( 13.877 23.208 -2.051) 27.118 3.422 ( 7.044 12.965 3.508) 15.167 3.607 ( 0.294 0.370 -1.057) 1.158 3.856 ( 5.364 9.076 0.134) 10.544 5.217 ( 7.861 14.052 -2.280) 16.262 5.409 ( -1.701 -3.573 -1.377) 4.190 5.680 ( 9.862 19.059 -1.467) 21.509 7.137 ( 14.077 24.668 2.049) 28.476 7.964 ( -4.398 -9.090 5.537) 11.516 14.162 ( -7.446 -12.588 0.051) 14.626 15.417 ( -14.937 -25.884 -1.610) 29.928 15.535 ( -12.767 -22.711 -2.388) 26.162 17.238 ( -0.152 -0.503 -0.022) 0.526 19.638 ( 4.516 5.674 2.033) 7.532 20.799 ( 1.642 5.625 -4.932) 7.659 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 18.555 22.951 0.059) 29.513 2.683 ( 9.761 20.098 0.447) 22.347 2.976 ( 3.888 7.267 -0.497) 8.257 3.474 ( 11.342 12.910 -2.453) 17.359 3.630 ( 2.662 4.166 0.251) 4.950 3.684 ( 7.779 7.812 2.499) 11.304 4.066 ( 3.804 16.581 0.059) 17.012 5.309 ( -2.015 -4.156 -1.740) 4.936 5.468 ( 7.576 5.057 -0.072) 9.109 6.062 ( 9.628 21.861 -1.283) 23.922 7.586 ( 9.979 15.737 1.314) 18.681 7.896 ( 6.935 -2.896 4.493) 8.756 13.871 ( -13.205 -9.826 -0.020) 16.460 14.917 ( -16.514 -19.787 -1.140) 25.798 15.079 ( -12.446 -22.630 -1.008) 25.846 17.251 ( 0.978 1.659 -0.036) 1.926 19.688 ( -2.301 1.011 0.501) 2.563 20.784 ( -0.830 -8.162 -1.603) 8.360 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 15.430 15.816 -0.357) 22.099 3.002 ( 7.412 16.114 0.464) 17.742 3.108 ( 3.169 7.563 -0.453) 8.213 3.672 ( 4.295 3.512 -0.862) 5.615 3.773 ( 7.011 6.859 -0.909) 9.850 3.893 ( 7.168 5.206 2.100) 9.105 4.297 ( -1.111 23.951 -0.017) 23.976 5.232 ( -1.444 -3.321 -1.396) 3.881 5.610 ( 6.184 -0.839 0.617) 6.271 6.367 ( 1.183 17.656 -0.160) 17.696 7.784 ( 6.478 8.362 1.676) 10.710 8.208 ( 21.160 2.794 1.674) 21.410 13.529 ( -15.412 -7.767 -0.060) 17.259 14.423 ( -20.195 -15.874 -0.718) 25.697 14.699 ( -7.614 -17.377 -0.295) 18.974 17.304 ( 0.907 5.523 -0.076) 5.598 19.601 ( -5.502 -3.853 -0.177) 6.720 20.624 ( -2.395 -16.262 -0.323) 16.441 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 3.830 8.973 0.077) 9.757 3.198 ( 1.228 7.790 -0.288) 7.891 3.367 ( 12.542 11.852 -0.377) 17.260 3.778 ( 4.704 2.991 0.016) 5.574 3.925 ( 4.579 3.328 -0.522) 5.685 4.033 ( 4.673 1.662 0.924) 5.045 4.480 ( -7.424 26.539 -0.024) 27.558 5.203 ( 1.131 -1.085 -1.118) 1.925 5.672 ( 3.921 -4.014 0.966) 5.694 6.450 ( -9.839 16.436 0.372) 19.160 8.061 ( 14.683 7.184 0.476) 16.353 8.568 ( 18.872 -2.054 0.998) 19.010 13.218 ( -12.614 -4.416 -0.009) 13.364 13.923 ( -18.383 -15.912 -0.312) 24.315 14.462 ( -5.874 -7.535 -0.054) 9.554 17.386 ( -0.895 10.480 -0.098) 10.518 19.446 ( -4.420 -8.819 -0.158) 9.866 20.409 ( -1.160 -19.124 -0.097) 19.159 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( -1.016 6.241 -0.325) 6.332 3.301 ( 0.332 6.924 0.178) 6.935 3.632 ( 7.680 5.591 -0.521) 9.514 3.887 ( 4.451 1.745 0.635) 4.822 4.000 ( 2.093 1.020 -0.342) 2.353 4.091 ( 1.712 -0.974 0.256) 1.986 4.565 ( -11.516 24.117 -0.062) 26.726 5.238 ( 3.571 -0.916 -0.787) 3.770 5.679 ( -0.034 -1.186 0.742) 1.399 6.414 ( -13.253 18.469 0.116) 22.732 8.359 ( 12.967 1.446 -0.053) 13.048 8.803 ( 13.100 -7.108 0.772) 14.924 13.031 ( -7.338 1.878 0.071) 7.575 13.510 ( -9.932 -15.411 -0.026) 18.334 14.335 ( -4.831 0.180 0.015) 4.835 17.467 ( -4.625 14.716 -0.092) 15.426 19.300 ( 0.535 -12.301 0.147) 12.313 20.232 ( 2.911 -18.212 -0.242) 18.444 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( -2.992 5.287 -0.306) 6.083 3.338 ( -2.865 4.886 0.176) 5.667 3.731 ( 0.373 0.024 -0.345) 0.509 3.933 ( -0.053 -1.586 0.496) 1.663 4.034 ( 0.923 0.531 0.028) 1.066 4.089 ( 0.501 -1.912 -0.023) 1.977 4.581 ( -12.983 22.193 -0.230) 25.713 5.273 ( 2.935 -4.254 -0.322) 5.178 5.664 ( -2.692 3.375 -0.050) 4.317 6.389 ( -11.572 20.130 0.004) 23.219 8.487 ( 3.527 -5.814 -0.069) 6.801 8.878 ( 6.173 -11.390 0.505) 12.965 12.987 ( -4.446 7.675 0.081) 8.870 13.333 ( 6.347 -10.771 0.204) 12.504 14.295 ( -2.417 4.168 0.010) 4.818 17.503 ( -8.795 15.287 -0.069) 17.637 19.242 ( 6.881 -11.629 0.453) 13.520 20.163 ( 8.707 -15.231 -0.429) 17.549 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( -4.877 3.966 -0.345) 6.295 3.301 ( -6.196 3.294 0.199) 7.020 3.640 ( -8.550 -3.890 -0.076) 9.393 3.871 ( -3.744 -2.778 -0.290) 4.671 4.023 ( -1.663 -1.373 1.294) 2.515 4.077 ( -0.493 -2.148 -0.864) 2.367 4.560 ( -15.197 21.922 -0.405) 26.677 5.250 ( -0.654 -3.240 -0.040) 3.306 5.659 ( 0.516 -0.675 -0.485) 0.978 6.414 ( -9.406 20.682 0.168) 22.721 8.363 ( -7.670 -10.628 0.172) 13.107 8.792 ( -0.939 -15.101 0.086) 15.131 13.031 ( 2.014 7.458 0.111) 7.726 13.515 ( 18.556 0.716 0.242) 18.572 14.335 ( 2.293 4.293 0.018) 4.867 17.468 ( -10.368 11.327 -0.049) 15.356 19.307 ( 10.510 -6.386 0.602) 12.313 20.228 ( 14.277 -11.729 -0.519) 18.484 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( -9.660 1.410 -0.403) 9.771 3.206 ( -7.415 2.873 0.218) 7.955 3.370 ( -16.859 -5.098 -0.277) 17.615 3.771 ( -4.483 -2.293 -0.288) 5.043 3.955 ( -4.651 -2.294 1.754) 5.475 4.002 ( -4.803 -3.479 -1.436) 6.102 4.473 ( -19.160 19.697 -0.423) 27.482 5.219 ( 0.393 -1.098 -0.211) 1.185 5.653 ( 1.892 -5.502 -0.201) 5.821 6.452 ( -9.207 16.879 0.505) 19.234 8.060 ( -13.948 -9.612 0.412) 16.944 8.547 ( -8.308 -17.478 -0.308) 19.355 13.220 ( 10.066 8.930 0.132) 13.457 13.929 ( 23.270 7.615 0.076) 24.484 14.465 ( 9.615 1.424 0.087) 9.720 17.386 ( -8.596 5.955 -0.052) 10.457 19.456 ( 9.733 -0.426 0.519) 9.757 20.404 ( 17.360 -8.594 -0.431) 19.376 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( -21.600 -5.031 -0.552) 22.185 2.994 ( -18.135 1.567 -0.026) 18.203 3.113 ( -7.940 1.164 -0.143) 8.026 3.676 ( -4.434 -1.535 -0.319) 4.703 3.815 ( -9.623 -2.652 1.930) 10.166 3.840 ( -8.747 -3.962 -1.572) 9.730 4.293 ( -20.043 12.990 -0.290) 23.886 5.250 ( 3.689 0.038 -0.538) 3.728 5.600 ( -1.811 -5.825 0.133) 6.101 6.381 ( -15.014 7.786 0.744) 16.929 7.772 ( -10.737 -1.905 0.997) 10.950 8.171 ( -14.558 -17.079 -0.703) 22.453 13.532 ( 14.335 9.584 0.114) 17.244 14.430 ( 24.221 9.207 -0.276) 25.913 14.707 ( 19.134 -1.882 0.183) 19.228 17.304 ( -5.246 1.945 -0.070) 5.595 19.608 ( 5.570 2.794 0.229) 6.236 20.627 ( 16.052 -5.953 -0.188) 17.122 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -29.558 -3.965 -0.436) 29.826 2.675 ( -22.376 1.879 -0.048) 22.455 2.982 ( -8.190 0.294 -0.143) 8.196 3.502 ( -16.722 -3.021 -1.061) 17.026 3.626 ( -11.269 -1.442 1.664) 11.482 3.652 ( -4.506 -1.843 -0.496) 4.893 4.063 ( -16.247 5.115 -0.091) 17.034 5.331 ( 5.150 0.388 -0.984) 5.257 5.467 ( -7.886 -4.240 0.288) 8.958 6.086 ( -23.008 1.633 0.243) 23.067 7.590 ( -19.488 -1.387 1.451) 19.591 7.821 ( -1.704 -6.799 -0.064) 7.010 13.872 ( 15.048 6.444 0.081) 16.370 14.927 ( 25.840 4.567 -0.558) 26.247 15.093 ( 26.267 -0.550 -0.079) 26.273 17.251 ( -1.951 0.036 -0.064) 1.952 19.681 ( -0.794 2.575 0.034) 2.695 20.806 ( 9.251 -3.515 -0.217) 9.898 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -32.730 0.284 0.038) 32.731 2.248 ( -28.214 0.173 0.162) 28.215 2.840 ( -8.290 -0.020 -0.225) 8.293 3.094 ( -27.497 0.196 -0.899) 27.512 3.389 ( -14.632 -0.190 1.519) 14.711 3.616 ( -0.227 0.030 -0.308) 0.384 3.854 ( -10.570 0.049 0.059) 10.571 5.239 ( -15.360 -0.098 -1.013) 15.394 5.422 ( 4.561 0.155 -0.608) 4.603 5.694 ( -21.542 -0.436 -0.638) 21.556 7.119 ( -29.081 -0.064 0.760) 29.091 7.911 ( 9.752 0.318 2.451) 10.061 14.161 ( 14.614 -0.063 0.021) 14.614 15.433 ( 30.414 -0.020 -0.785) 30.424 15.556 ( 26.855 0.146 -0.873) 26.870 17.238 ( 0.505 0.049 -0.009) 0.508 19.619 ( -8.259 0.426 0.801) 8.308 20.844 ( -2.895 -0.557 -2.009) 3.567 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -0.000 32.677 0.237) 32.678 1.830 ( -0.000 26.993 0.384) 26.995 2.751 ( -0.000 6.721 -0.452) 6.736 2.837 ( -0.000 33.392 -1.857) 33.444 3.303 ( -0.000 16.630 3.465) 16.987 3.631 ( 0.000 0.015 -1.334) 1.334 3.694 ( -0.000 2.836 0.169) 2.841 5.168 ( 0.000 26.375 -4.277) 26.720 5.323 ( -0.000 8.015 -0.007) 8.015 5.486 ( 0.000 -0.028 -1.439) 1.440 6.934 ( -0.000 32.905 2.474) 32.998 8.064 ( -0.000 -11.025 5.492) 12.317 14.222 ( 0.000 -18.349 0.158) 18.349 15.728 ( 0.000 -31.359 -1.569) 31.398 15.785 ( 0.000 -22.678 -4.189) 23.061 17.270 ( 0.000 -1.713 -0.203) 1.725 19.433 ( -0.000 11.582 1.819) 11.724 20.819 ( 0.000 15.828 -6.739) 17.203 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 6.843 31.319 0.209) 32.058 2.226 ( 13.664 23.326 0.341) 27.035 2.843 ( 2.876 6.831 -0.494) 7.428 3.169 ( 4.201 25.546 -2.292) 25.990 3.487 ( 2.437 14.176 3.479) 14.799 3.621 ( -1.030 1.754 -1.011) 2.271 3.804 ( 7.725 5.361 0.097) 9.404 5.319 ( -1.368 11.424 -2.117) 11.699 5.401 ( -0.794 1.042 -0.845) 1.559 5.667 ( 10.995 19.572 -1.544) 22.502 7.281 ( 3.056 29.166 2.005) 29.394 7.956 ( -2.909 -6.900 5.319) 9.185 14.048 ( 1.049 -18.448 0.134) 18.478 15.339 ( -8.259 -29.389 -1.603) 30.569 15.486 ( -7.603 -22.199 -2.260) 23.574 17.244 ( -0.682 -0.773 -0.136) 1.040 19.588 ( 5.778 5.033 1.413) 7.792 20.887 ( -3.893 5.926 -3.793) 8.041 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 11.562 27.127 -0.023) 29.488 2.679 ( 13.018 18.440 0.406) 22.576 2.975 ( 4.355 6.950 -0.507) 8.218 3.464 ( 5.948 16.134 -2.423) 17.366 3.642 ( 0.996 3.919 -0.738) 4.110 3.680 ( 3.965 11.197 3.330) 12.337 4.063 ( 12.583 11.339 0.034) 16.938 5.299 ( -1.883 -3.953 -1.636) 4.675 5.471 ( 0.371 9.112 -0.183) 9.121 6.077 ( 12.564 20.004 -1.153) 23.650 7.619 ( 7.631 19.541 1.422) 21.027 7.869 ( -4.485 1.199 4.467) 6.443 13.873 ( -2.108 -16.265 0.014) 16.401 14.907 ( -8.642 -24.464 -1.258) 25.976 15.082 ( -13.341 -21.581 -0.971) 25.390 17.249 ( 1.104 1.632 -0.059) 1.971 19.686 ( 2.421 -1.166 0.477) 2.729 20.787 ( -7.341 -4.969 -1.567) 9.001 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 12.207 20.328 -0.383) 23.715 3.025 ( 8.472 14.485 0.482) 16.788 3.120 ( 4.168 7.133 -0.485) 8.275 3.647 ( 3.377 5.311 -1.208) 6.409 3.750 ( 4.236 8.686 -1.015) 9.717 3.854 ( 4.572 7.029 2.460) 8.739 4.447 ( 12.290 20.590 -0.030) 23.979 5.224 ( -1.704 -3.209 -1.343) 3.874 5.534 ( 0.705 1.247 0.499) 1.517 6.461 ( 9.462 17.678 -0.457) 20.057 7.860 ( -1.040 6.446 3.140) 7.245 7.941 ( 11.287 11.002 0.759) 15.780 13.628 ( -8.543 -14.510 -0.177) 16.839 14.596 ( -3.983 -22.519 -0.457) 22.873 14.605 ( -16.777 -13.458 -0.522) 21.514 17.319 ( 3.100 5.249 -0.030) 6.096 19.643 ( -3.405 -5.477 -0.294) 6.456 20.548 ( -8.188 -14.407 -0.303) 16.574 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 7.053 11.278 -0.252) 13.304 3.246 ( 2.571 7.720 -0.333) 8.144 3.309 ( 8.765 13.045 0.021) 15.717 3.742 ( 3.281 3.638 -0.218) 4.904 3.891 ( 3.681 5.113 -0.630) 6.331 3.981 ( 3.852 2.976 1.177) 5.008 4.824 ( 1.672 25.962 -0.219) 26.016 5.192 ( -0.013 1.649 -0.944) 1.900 5.541 ( 4.128 -5.903 0.899) 7.259 6.724 ( 0.172 17.613 0.112) 17.614 7.972 ( 4.243 9.488 1.322) 10.478 8.233 ( 15.950 -0.537 0.707) 15.974 13.323 ( -9.770 -12.426 -0.186) 15.808 14.086 ( -18.467 -19.823 -0.033) 27.092 14.468 ( -1.670 -3.586 -0.219) 3.962 17.459 ( 4.113 10.100 -0.028) 10.906 19.471 ( -7.656 -8.909 -0.506) 11.758 20.247 ( -5.300 -20.889 0.114) 21.551 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( 0.331 7.565 -0.337) 7.580 3.359 ( 2.008 7.817 0.089) 8.071 3.564 ( 7.506 7.836 -0.320) 10.856 3.834 ( 3.780 2.073 0.275) 4.320 3.975 ( 2.238 2.014 -0.126) 3.014 4.050 ( 2.269 -0.005 0.258) 2.283 4.966 ( -7.254 16.188 -0.427) 17.744 5.225 ( -2.474 4.664 -0.279) 5.287 5.634 ( 7.686 4.233 0.547) 8.792 6.822 ( -9.779 20.085 0.199) 22.340 8.169 ( 9.708 3.108 0.280) 10.197 8.469 ( 15.626 -7.982 0.684) 17.560 13.089 ( -4.402 -8.030 -0.035) 9.158 13.596 ( -16.222 -16.973 0.110) 23.479 14.438 ( -3.306 5.096 -0.062) 6.075 17.649 ( 2.290 15.860 -0.051) 16.025 19.226 ( -7.174 -12.674 -0.193) 14.565 19.981 ( 0.732 -23.445 -0.028) 23.456 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( -2.275 6.612 -0.314) 6.999 3.436 ( -1.553 6.605 0.176) 6.787 3.706 ( 3.209 2.017 -0.301) 3.802 3.898 ( 2.424 -1.083 0.465) 2.696 4.020 ( 1.494 1.202 -0.161) 1.924 4.063 ( 0.393 -1.593 0.136) 1.647 4.975 ( -8.420 14.324 -0.269) 16.618 5.202 ( 0.165 -2.444 -0.294) 2.467 5.798 ( -2.338 14.417 0.152) 14.606 6.823 ( -13.397 21.949 0.042) 25.715 8.322 ( 8.097 -5.140 -0.063) 9.592 8.601 ( 11.322 -13.094 0.612) 17.321 13.038 ( 4.404 -1.662 0.101) 4.708 13.221 ( -9.132 -12.809 0.187) 15.733 14.439 ( -5.405 9.658 -0.045) 11.068 17.814 ( -5.269 19.665 -0.132) 20.359 19.022 ( 1.332 -14.768 0.323) 14.832 19.825 ( 8.023 -22.153 -0.325) 23.563 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( -4.525 5.346 -0.319) 7.011 3.437 ( -4.935 4.685 0.217) 6.808 3.710 ( -2.956 -1.743 -0.157) 3.435 3.889 ( -1.107 -2.673 0.112) 2.896 4.036 ( -1.023 -0.783 0.715) 1.473 4.053 ( 0.856 -1.119 -0.521) 1.502 4.971 ( -8.496 14.500 -0.421) 16.811 5.207 ( 2.689 -1.514 -0.110) 3.088 5.792 ( -12.140 9.357 -0.122) 15.328 6.823 ( -12.288 22.535 0.050) 25.668 8.323 ( 0.531 -9.664 -0.023) 9.678 8.595 ( 5.086 -16.580 0.387) 17.347 13.040 ( -0.743 -4.537 0.196) 4.602 13.221 ( 15.760 1.360 0.158) 15.820 14.439 ( -5.660 9.507 -0.054) 11.064 17.813 ( -14.362 14.283 -0.167) 20.256 19.029 ( 12.485 -8.101 0.615) 14.895 19.822 ( 14.975 -18.241 -0.493) 23.606 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( -7.076 3.350 -0.438) 7.841 3.365 ( -7.320 2.588 0.328) 7.771 3.569 ( -10.551 -2.793 -0.153) 10.915 3.822 ( -3.553 -1.877 -0.088) 4.020 3.997 ( -2.291 -1.570 1.057) 2.972 4.031 ( -1.996 -1.679 -0.814) 2.732 4.960 ( -10.653 15.135 -0.667) 18.521 5.240 ( -1.579 3.737 0.345) 4.071 5.614 ( -8.554 -4.054 -0.264) 9.470 6.823 ( -12.459 18.443 0.222) 22.258 8.167 ( -7.770 -7.346 0.208) 10.694 8.454 ( -1.434 -17.500 0.070) 17.559 13.093 ( 9.223 -0.166 0.147) 9.226 13.596 ( 22.921 5.350 0.107) 23.537 14.439 ( -2.639 5.452 -0.035) 6.058 17.648 ( -14.784 5.873 -0.088) 15.908 19.241 ( 14.589 0.196 0.473) 14.598 19.972 ( 19.971 -12.536 -0.421) 23.583 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( -12.777 0.134 -0.271) 12.781 3.256 ( -7.898 1.616 0.105) 8.062 3.306 ( -16.438 -1.298 -0.214) 16.490 3.740 ( -4.281 -0.710 -0.065) 4.340 3.923 ( -4.968 -1.518 0.603) 5.230 3.943 ( -6.324 -1.278 -0.376) 6.463 4.821 ( -23.385 12.189 -0.374) 26.374 5.215 ( -1.220 0.710 -0.189) 1.424 5.520 ( 3.378 -6.383 0.183) 7.224 6.727 ( -15.003 8.432 0.271) 17.212 7.957 ( -11.044 -0.107 0.680) 11.065 8.213 ( -8.207 -13.302 -0.163) 15.631 13.328 ( 15.662 2.201 0.034) 15.816 14.086 ( 26.538 5.889 -0.028) 27.183 14.473 ( 4.293 -0.281 -0.018) 4.302 17.459 ( -10.763 1.492 -0.038) 10.866 19.485 ( 11.283 2.035 0.096) 11.466 20.241 ( 21.102 -5.707 -0.157) 21.861 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( -23.931 0.155 -0.261) 23.933 3.018 ( -16.803 0.040 0.176) 16.804 3.127 ( -8.195 0.015 -0.183) 8.197 3.661 ( -4.860 0.107 -0.242) 4.867 3.777 ( -10.216 -0.786 -1.868) 10.415 3.807 ( -9.194 0.689 2.340) 9.512 4.448 ( -24.052 0.133 -0.013) 24.052 5.249 ( 3.996 0.070 -0.764) 4.069 5.523 ( -0.954 -0.019 0.375) 1.025 6.467 ( -19.448 -0.252 -0.153) 19.450 7.815 ( -5.817 -1.105 1.139) 6.029 7.928 ( -16.211 1.166 0.359) 16.257 13.630 ( 16.722 -0.054 -0.064) 16.723 14.604 ( 27.568 3.335 -0.225) 27.770 14.611 ( 14.823 -3.331 -0.150) 15.194 17.320 ( -6.086 0.023 -0.012) 6.086 19.648 ( 6.010 -0.079 -0.111) 6.011 20.552 ( 17.250 0.042 -0.117) 17.251 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -29.452 4.361 0.133) 29.774 2.678 ( -22.308 -1.698 0.349) 22.375 2.982 ( -8.209 -0.282 -0.268) 8.219 3.500 ( -16.759 3.297 -1.410) 17.138 3.622 ( -8.821 0.600 0.685) 8.868 3.661 ( -6.888 2.485 1.095) 7.403 4.065 ( -16.286 -5.023 0.117) 17.044 5.329 ( 5.097 -0.028 -1.164) 5.229 5.467 ( -7.949 4.115 0.195) 8.953 6.078 ( -23.197 -2.291 -1.065) 23.334 7.578 ( -18.682 0.660 -0.205) 18.695 7.844 ( -2.209 7.698 3.404) 8.702 13.871 ( 15.053 -6.516 -0.069) 16.403 14.927 ( 25.706 -4.446 -0.462) 26.091 15.089 ( 26.325 0.487 -0.604) 26.337 17.251 ( -1.935 0.017 0.020) 1.935 19.683 ( -0.469 -2.511 0.325) 2.575 20.801 ( 8.789 3.348 -0.973) 9.455 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -0.000 31.104 0.011) 31.104 2.329 ( -0.000 22.758 0.468) 22.763 2.880 ( -0.000 6.311 -0.495) 6.330 3.374 ( 0.000 21.684 -2.434) 21.820 3.602 ( -0.000 10.119 1.944) 10.304 3.679 ( -0.000 6.874 0.347) 6.883 3.757 ( -0.000 3.411 0.206) 3.418 5.337 ( 0.000 -3.403 -1.706) 3.807 5.488 ( -0.000 8.339 -0.043) 8.339 5.791 ( -0.000 24.988 -1.715) 25.047 7.526 ( -0.000 20.808 1.944) 20.898 7.975 ( -0.000 5.074 4.535) 6.805 13.831 ( 0.000 -20.451 0.174) 20.451 15.110 ( 0.000 -29.786 -1.534) 29.826 15.330 ( 0.000 -21.711 -1.478) 21.762 17.234 ( 0.000 -1.679 -0.198) 1.690 19.587 ( -0.000 3.808 0.974) 3.931 20.960 ( 0.000 0.936 -2.412) 2.587 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 4.571 28.604 -0.010) 28.967 2.646 ( 10.495 18.524 0.438) 21.295 2.970 ( 3.288 6.004 -0.488) 6.863 3.557 ( 0.729 13.494 -2.170) 13.687 3.682 ( 0.385 7.321 -0.694) 7.364 3.763 ( 0.557 10.658 2.814) 11.037 3.920 ( 11.807 6.020 0.092) 13.253 5.283 ( -1.251 -4.050 -1.352) 4.449 5.573 ( -0.222 8.430 0.002) 8.433 6.074 ( 7.654 17.103 -0.811) 18.755 7.683 ( 1.567 9.174 2.117) 9.545 8.078 ( -4.407 19.742 2.931) 20.439 13.665 ( 3.528 -19.531 0.121) 19.848 14.765 ( -5.458 -27.562 -1.299) 28.127 15.054 ( -7.102 -20.282 -0.693) 21.501 17.234 ( 1.686 -0.185 -0.147) 1.702 19.630 ( 1.844 -0.714 0.417) 2.021 20.875 ( -7.067 -5.154 -1.206) 8.829 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 6.646 21.254 -0.280) 22.271 3.001 ( 10.493 14.860 0.496) 18.198 3.104 ( 5.029 6.185 -0.469) 7.985 3.659 ( 1.396 5.807 -1.017) 6.058 3.793 ( 1.633 10.108 -1.357) 10.329 3.885 ( 1.439 8.004 2.563) 8.526 4.288 ( 21.248 10.702 -0.022) 23.791 5.219 ( -1.489 -2.823 -1.160) 3.396 5.611 ( -3.795 4.810 0.478) 6.145 6.390 ( 13.568 9.988 -0.212) 16.849 7.816 ( 3.822 8.433 1.706) 9.415 8.185 ( -7.829 20.809 1.656) 22.295 13.532 ( 0.906 -17.195 -0.059) 17.219 14.415 ( -3.693 -24.923 -0.703) 25.205 14.705 ( -11.203 -15.401 -0.309) 19.047 17.301 ( 4.411 3.552 -0.077) 5.664 19.609 ( -0.784 -6.203 -0.172) 6.255 20.618 ( -12.841 -10.650 -0.330) 16.686 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 6.709 11.438 -0.153) 13.261 3.251 ( 4.986 6.176 -0.444) 7.949 3.304 ( 7.449 14.239 0.152) 16.070 3.737 ( 1.894 4.560 -0.239) 4.944 3.903 ( 1.522 6.548 -1.018) 6.799 3.974 ( 1.349 4.182 1.525) 4.651 4.813 ( 21.921 13.655 -0.091) 25.826 5.196 ( 1.924 1.612 -0.911) 2.671 5.539 ( -7.110 0.154 0.887) 7.167 6.731 ( 14.438 9.122 0.006) 17.079 7.987 ( 5.600 7.986 1.180) 9.824 8.223 ( -7.941 13.960 0.803) 16.080 13.325 ( -6.086 -14.539 -0.214) 15.763 14.085 ( -7.762 -25.678 -0.022) 26.825 14.469 ( -2.480 -3.352 -0.231) 4.176 17.458 ( 6.768 8.557 -0.015) 10.910 19.477 ( -4.421 -10.613 -0.589) 11.512 20.241 ( -15.020 -15.434 0.190) 21.537 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( 5.133 7.033 0.050) 8.707 3.384 ( 3.007 7.015 -0.396) 7.643 3.536 ( 5.508 9.295 -0.098) 10.804 3.808 ( 1.805 2.842 0.141) 3.370 3.971 ( 1.044 3.125 -0.179) 3.300 4.024 ( 1.233 1.223 0.328) 1.768 5.063 ( 1.584 1.544 -0.759) 2.338 5.392 ( -4.669 -6.031 0.813) 7.670 5.520 ( 14.933 24.076 -0.102) 28.331 7.040 ( 7.384 13.212 0.101) 15.136 8.145 ( 2.872 5.940 0.839) 6.651 8.213 ( 0.368 -0.159 0.237) 0.466 13.081 ( -6.194 -10.452 -0.127) 12.150 13.659 ( -12.587 -21.650 0.137) 25.043 14.503 ( 2.913 4.976 -0.072) 5.766 17.702 ( 8.275 14.161 0.038) 16.402 19.253 ( -7.797 -12.427 -0.689) 14.687 19.826 ( -11.304 -20.488 0.355) 23.403 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( 0.313 6.236 -0.322) 6.252 3.506 ( 1.727 6.776 0.157) 6.994 3.674 ( 3.191 3.400 -0.114) 4.664 3.848 ( 1.550 -0.956 0.173) 1.829 4.011 ( 1.052 1.607 0.304) 1.944 4.045 ( 0.641 -0.183 -0.234) 0.706 5.089 ( 0.769 1.864 -0.596) 2.103 5.249 ( -5.588 -3.273 0.414) 6.489 5.980 ( 6.886 24.820 -0.071) 25.758 7.220 ( -5.331 18.869 0.092) 19.608 8.168 ( 2.072 -3.800 0.062) 4.329 8.280 ( 9.653 -10.047 0.515) 13.943 12.942 ( 0.090 -5.641 0.019) 5.642 13.266 ( -10.529 -15.447 0.163) 18.694 14.608 ( -0.528 10.042 -0.030) 10.056 18.010 ( 6.500 20.117 0.007) 21.142 18.969 ( -10.127 -12.094 -0.225) 15.776 19.493 ( 0.280 -25.089 0.041) 25.090 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( -2.992 5.415 -0.294) 6.193 3.558 ( -2.925 5.067 0.244) 5.856 3.717 ( 0.246 -0.366 -0.110) 0.455 3.852 ( 1.702 -3.310 0.105) 3.723 4.033 ( 0.228 -0.536 0.126) 0.596 4.047 ( -0.145 0.530 -0.019) 0.549 5.134 ( -0.270 3.625 -0.195) 3.641 5.152 ( -0.667 -2.063 -0.142) 2.173 6.176 ( -11.055 19.156 -0.054) 22.117 7.257 ( -11.876 20.493 0.019) 23.686 8.170 ( 5.080 -8.960 -0.089) 10.300 8.311 ( 8.460 -15.117 0.451) 17.329 12.959 ( 3.426 -5.604 0.123) 6.570 13.048 ( 2.184 -4.185 0.120) 4.723 14.657 ( -5.867 10.146 -0.039) 11.720 18.217 ( -11.439 19.246 -0.296) 22.391 18.773 ( 5.551 -8.144 0.586) 9.873 19.365 ( 13.100 -23.347 -0.377) 26.773 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( -5.588 3.212 -0.340) 6.454 3.508 ( -6.553 1.698 0.280) 6.776 3.676 ( -4.300 -1.188 -0.093) 4.462 3.841 ( -0.338 -1.648 0.082) 1.685 4.014 ( -1.181 -0.905 0.194) 1.501 4.044 ( -0.808 -0.078 -0.116) 0.820 5.099 ( -1.893 0.923 -0.357) 2.136 5.238 ( 5.510 2.653 0.132) 6.117 5.980 ( -25.141 6.818 -0.075) 26.049 7.219 ( -13.688 13.966 0.069) 19.555 8.164 ( 2.157 -4.072 -0.049) 4.608 8.272 ( 3.384 -13.377 0.321) 13.802 12.944 ( 4.943 -3.019 0.078) 5.792 13.264 ( 18.612 1.295 0.097) 18.657 14.608 ( -8.407 5.513 -0.033) 10.053 18.006 ( -20.492 4.412 -0.096) 20.962 18.989 ( 15.644 3.112 0.303) 15.953 19.481 ( 21.489 -13.085 -0.275) 25.160 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( -9.085 0.331 -0.106) 9.092 3.390 ( -6.877 -0.319 -0.042) 6.884 3.540 ( -10.856 0.051 -0.083) 10.857 3.803 ( -3.140 0.048 0.144) 3.144 3.977 ( -2.560 -0.343 -0.173) 2.589 4.015 ( -2.675 0.264 0.203) 2.695 5.081 ( -1.966 0.280 -0.371) 2.020 5.373 ( 7.289 -0.409 0.388) 7.311 5.522 ( -28.208 0.326 -0.040) 28.210 7.037 ( -15.135 -0.088 0.050) 15.135 8.127 ( -7.331 -0.171 0.334) 7.341 8.208 ( -0.141 0.136 0.102) 0.221 13.084 ( 12.289 -0.057 -0.050) 12.290 13.656 ( 25.103 -0.031 0.056) 25.103 14.504 ( -5.631 0.014 -0.031) 5.631 17.702 ( -16.325 0.035 0.015) 16.325 19.269 ( 14.597 -0.229 -0.287) 14.602 19.818 ( 23.516 0.195 0.150) 23.517 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( -12.845 0.112 0.028) 12.846 3.253 ( -8.043 -1.718 -0.364) 8.233 3.308 ( -16.141 1.373 0.135) 16.200 3.742 ( -4.308 0.841 0.154) 4.392 3.909 ( -5.581 0.666 -1.217) 5.751 3.956 ( -5.661 1.982 1.321) 6.142 4.825 ( -23.540 -11.919 0.197) 26.387 5.211 ( -0.941 -0.688 -0.760) 1.392 5.524 ( 3.203 6.473 0.710) 7.257 6.724 ( -15.115 -8.680 -0.157) 17.431 7.955 ( -11.120 -0.135 0.347) 11.127 8.219 ( -7.955 13.496 0.667) 15.680 13.326 ( 15.664 -2.282 -0.171) 15.830 14.086 ( 26.608 -5.901 0.004) 27.254 14.472 ( 4.185 0.250 -0.154) 4.196 17.459 ( -10.771 -1.463 0.016) 10.870 19.481 ( 11.362 -2.266 -0.479) 11.596 20.244 ( 21.012 5.898 0.242) 21.826 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( -21.498 5.284 -0.001) 22.138 2.996 ( -17.898 -1.584 0.339) 17.971 3.113 ( -8.044 -1.085 -0.228) 8.120 3.678 ( -4.475 1.694 -0.064) 4.785 3.790 ( -9.562 2.623 -1.771) 10.072 3.865 ( -8.697 3.866 2.205) 9.769 4.296 ( -20.139 -12.949 0.204) 23.943 5.248 ( 3.740 0.226 -0.849) 3.842 5.602 ( -1.993 5.814 0.500) 6.166 6.372 ( -15.369 -8.010 -0.594) 17.341 7.769 ( -10.905 1.850 0.524) 11.073 8.186 ( -13.884 17.002 1.631) 22.011 13.530 ( 14.362 -9.566 -0.120) 17.256 14.430 ( 24.198 -9.369 -0.312) 25.950 14.703 ( 19.035 1.965 -0.339) 19.139 17.304 ( -5.234 -1.940 -0.004) 5.582 19.604 ( 5.790 -2.892 -0.284) 6.478 20.627 ( 15.750 6.037 -0.098) 16.868 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -0.000 17.371 0.481) 17.378 2.794 ( -0.000 27.363 0.011) 27.363 2.993 ( -0.000 5.129 -0.451) 5.149 3.667 ( 0.000 8.252 -1.398) 8.370 3.770 ( 0.000 10.827 -1.220) 10.896 3.830 ( -0.000 3.715 0.221) 3.722 3.882 ( -0.000 9.295 2.436) 9.609 5.255 ( 0.000 -3.255 -1.046) 3.419 5.646 ( -0.000 7.370 -0.074) 7.371 6.137 ( -0.000 7.378 0.058) 7.378 7.778 ( -0.000 12.151 1.554) 12.250 8.349 ( -0.000 23.499 2.079) 23.591 13.429 ( 0.000 -19.497 0.163) 19.498 14.539 ( 0.000 -26.666 -1.175) 26.692 14.916 ( 0.000 -19.300 -0.354) 19.303 17.203 ( 0.000 -1.377 -0.167) 1.388 19.614 ( -0.000 -0.754 0.240) 0.791 20.876 ( 0.000 -7.630 -0.730) 7.665 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 6.639 12.885 0.381) 14.500 3.051 ( 2.618 12.743 -0.235) 13.011 3.098 ( 4.113 15.508 -0.207) 16.045 3.711 ( -0.961 5.841 -0.625) 5.953 3.875 ( 0.263 9.592 -1.561) 9.721 3.953 ( 1.558 7.298 2.280) 7.803 4.035 ( 14.146 5.282 0.111) 15.101 5.217 ( -1.119 -1.603 -0.870) 2.140 5.708 ( -1.465 4.967 0.268) 5.186 6.234 ( 8.960 -0.826 0.423) 9.008 7.924 ( -0.390 16.500 0.748) 16.522 8.526 ( -5.874 20.857 1.518) 21.721 13.294 ( 5.069 -17.189 0.098) 17.921 14.240 ( -4.345 -24.256 -0.836) 24.657 14.686 ( -5.187 -16.223 -0.136) 17.033 17.235 ( 4.881 0.349 -0.129) 4.895 19.583 ( -1.953 -3.564 -0.058) 4.064 20.713 ( -8.604 -9.780 -0.271) 13.029 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 5.651 7.229 0.180) 9.177 3.204 ( 6.502 5.610 -0.307) 8.594 3.357 ( 4.308 17.044 -0.164) 17.581 3.767 ( 0.571 5.661 -0.052) 5.690 3.954 ( 0.041 6.259 -1.469) 6.429 4.017 ( -0.581 4.338 1.799) 4.732 4.467 ( 26.487 6.755 0.129) 27.335 5.192 ( -0.631 0.650 -0.836) 1.233 5.671 ( -5.573 1.090 0.890) 5.748 6.467 ( 18.651 -0.840 0.140) 18.671 8.076 ( -1.246 15.659 0.277) 15.710 8.565 ( -11.159 16.010 1.050) 19.544 13.222 ( 2.557 -13.108 -0.058) 13.355 13.923 ( -4.618 -23.449 -0.315) 23.901 14.464 ( -3.754 -8.974 -0.084) 9.728 17.383 ( 9.511 4.469 -0.071) 10.509 19.461 ( -5.641 -7.901 -0.346) 9.714 20.395 ( -15.815 -10.875 0.076) 19.194 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.326 ( 6.453 4.324 0.029) 7.768 3.367 ( 5.853 5.398 -0.192) 7.964 3.560 ( 3.156 10.456 -0.194) 10.924 3.829 ( 0.255 4.470 0.311) 4.488 3.996 ( -0.161 3.178 -0.958) 3.323 4.037 ( -0.731 1.777 0.916) 2.129 4.947 ( 17.436 1.886 0.088) 17.538 5.235 ( 6.061 -0.206 -0.540) 6.089 5.626 ( -0.115 8.811 0.749) 8.844 6.829 ( 22.017 1.350 0.029) 22.058 8.175 ( -2.377 9.543 0.118) 9.835 8.471 ( -14.681 10.121 0.633) 17.843 13.093 ( -4.877 -7.716 -0.146) 9.129 13.599 ( -6.636 -22.385 0.028) 23.348 14.437 ( 6.015 -0.371 -0.035) 6.026 17.647 ( 12.601 9.800 0.016) 15.963 19.240 ( -7.710 -12.161 -0.557) 14.410 19.968 ( -20.387 -11.372 0.296) 23.347 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.470 ( 5.530 3.342 -0.043) 6.462 3.512 ( 4.795 4.933 -0.095) 6.880 3.672 ( 1.458 4.391 -0.038) 4.627 3.848 ( -1.566 0.991 0.157) 1.860 4.019 ( 0.226 1.823 0.134) 1.841 4.039 ( -0.059 0.383 -0.169) 0.423 5.083 ( 1.834 1.607 -0.325) 2.460 5.250 ( -0.187 -6.778 0.382) 6.792 5.978 ( 18.208 18.397 0.005) 25.884 7.221 ( 18.883 4.768 0.033) 19.476 8.166 ( -4.550 -0.242 0.143) 4.559 8.286 ( -13.563 3.683 0.251) 14.056 12.944 ( -5.125 -2.634 -0.076) 5.762 13.268 ( -8.247 -16.776 0.087) 18.694 14.607 ( 9.028 4.536 0.003) 10.103 18.007 ( 14.328 15.413 0.134) 21.045 18.980 ( -6.007 -14.196 -0.682) 15.430 19.484 ( -21.400 -12.688 0.406) 24.882 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.574 ( 2.309 3.319 -0.150) 4.046 3.611 ( 1.154 2.746 0.102) 2.980 3.718 ( 1.273 1.987 0.035) 2.360 3.802 ( -1.870 -3.141 -0.022) 3.655 4.031 ( -0.135 0.149 0.280) 0.345 4.050 ( 0.534 0.662 -0.242) 0.884 5.119 ( 1.057 1.772 -0.254) 2.079 5.175 ( -1.741 -3.322 0.206) 3.756 6.395 ( 7.635 13.096 -0.058) 15.160 7.521 ( 5.362 9.317 0.024) 10.750 8.050 ( -2.166 -4.189 0.031) 4.716 8.119 ( -4.232 -6.466 0.147) 7.729 12.894 ( 0.520 1.074 0.000) 1.193 13.014 ( -5.379 -9.206 0.063) 10.663 14.769 ( 2.798 4.806 -0.003) 5.561 18.435 ( 13.034 21.548 0.185) 25.184 18.773 ( -6.013 -7.838 -0.513) 9.892 19.015 ( -10.915 -20.554 0.273) 23.274 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( -3.961 0.271 -0.149) 3.973 3.606 ( -2.788 -0.290 0.120) 2.805 3.717 ( -2.358 0.052 0.009) 2.359 3.801 ( 3.462 -0.007 0.021) 3.462 4.025 ( -0.568 -0.051 0.045) 0.572 4.055 ( -0.349 0.004 -0.045) 0.352 5.128 ( -1.673 0.019 -0.134) 1.678 5.168 ( 3.413 0.082 0.108) 3.416 6.397 ( -15.028 0.036 -0.030) 15.028 7.520 ( -10.832 -0.007 0.016) 10.832 8.049 ( 4.359 0.115 0.005) 4.361 8.113 ( 7.519 -0.233 0.087) 7.523 12.894 ( -1.201 -0.046 0.001) 1.202 13.011 ( 10.525 -0.030 0.034) 10.526 14.769 ( -5.556 0.011 -0.002) 5.556 18.428 ( -24.921 0.257 0.089) 24.923 18.791 ( 9.877 -0.727 -0.274) 9.907 19.005 ( 23.103 0.496 0.156) 23.109 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( -5.503 -3.093 0.041) 6.313 3.505 ( -6.636 -1.772 -0.124) 6.869 3.676 ( -4.326 1.227 -0.013) 4.497 3.842 ( -0.265 1.656 0.169) 1.686 4.011 ( -1.433 0.604 -0.238) 1.574 4.046 ( -0.585 0.266 0.126) 0.655 5.100 ( -1.765 -0.632 -0.116) 1.878 5.239 ( 5.375 -2.717 0.255) 6.028 5.980 ( -25.084 -6.733 0.035) 25.972 7.218 ( -13.728 -14.006 0.003) 19.612 8.165 ( 2.071 3.982 0.126) 4.490 8.271 ( 3.548 13.301 0.054) 13.766 12.943 ( 4.932 2.921 -0.088) 5.733 13.263 ( 18.611 -1.363 0.026) 18.661 14.608 ( -8.406 -5.481 0.016) 10.035 18.007 ( -20.571 -4.308 0.141) 21.017 18.983 ( 15.724 -3.384 -0.634) 16.096 19.486 ( 21.461 13.277 0.412) 25.239 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( -6.950 -3.394 0.192) 7.737 3.361 ( -7.446 -2.451 -0.273) 7.844 3.569 ( -10.523 2.776 -0.157) 10.884 3.826 ( -3.506 1.990 0.421) 4.053 3.985 ( -2.595 1.177 -0.873) 2.980 4.041 ( -1.659 1.919 0.675) 2.625 4.967 ( -10.634 -15.075 0.356) 18.452 5.234 ( -1.810 -3.606 -0.590) 4.078 5.621 ( -8.302 4.166 0.702) 9.315 6.821 ( -12.559 -18.490 -0.062) 22.352 8.166 ( -7.852 7.246 0.003) 10.684 8.457 ( -1.177 17.436 0.445) 17.482 13.091 ( 9.219 0.129 -0.170) 9.221 13.595 ( 22.927 -5.428 -0.024) 23.561 14.439 ( -2.686 -5.449 -0.014) 6.075 17.649 ( -14.830 -5.870 0.049) 15.950 19.234 ( 14.631 -0.252 -0.607) 14.646 19.977 ( 19.936 12.597 0.386) 23.586 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( -9.787 -1.334 0.328) 9.883 3.203 ( -7.256 -2.826 -0.348) 7.795 3.371 ( -16.674 5.066 -0.151) 17.428 3.775 ( -4.591 2.424 0.378) 5.205 3.936 ( -4.955 2.256 -1.261) 5.588 4.019 ( -4.334 3.390 1.239) 5.640 4.478 ( -19.231 -19.720 0.288) 27.546 5.215 ( 0.508 1.379 -0.731) 1.641 5.660 ( 1.690 5.464 0.908) 5.791 6.448 ( -9.376 -16.860 -0.083) 19.292 8.057 ( -13.917 9.470 0.046) 16.833 8.555 ( -7.965 17.390 0.911) 19.149 13.219 ( 10.100 -8.844 -0.098) 13.425 13.926 ( 23.228 -7.784 -0.273) 24.499 14.463 ( 9.525 -1.402 -0.101) 9.628 17.387 ( -8.608 -5.979 -0.032) 10.481 19.450 ( 9.808 0.421 -0.472) 9.828 20.408 ( 17.248 8.632 0.230) 19.289 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( -0.000 11.263 0.376) 11.270 3.078 ( -0.000 3.572 -0.308) 3.585 3.281 ( -0.000 21.008 -0.109) 21.008 3.795 ( -0.000 6.194 -0.172) 6.197 3.904 ( -0.000 3.523 0.204) 3.528 3.956 ( 0.000 7.359 -1.598) 7.530 4.038 ( -0.000 5.392 1.906) 5.719 5.222 ( 0.000 0.695 -0.563) 0.895 5.775 ( -0.000 5.404 -0.081) 5.404 6.092 ( 0.000 -9.962 0.923) 10.005 8.117 ( -0.000 19.486 0.096) 19.486 8.776 ( -0.000 17.680 1.234) 17.723 13.077 ( 0.000 -15.360 0.129) 15.360 14.056 ( 0.000 -20.869 -0.748) 20.882 14.572 ( 0.000 -14.772 -0.019) 14.772 17.179 ( 0.000 -0.930 -0.122) 0.938 19.579 ( 0.000 -2.323 -0.107) 2.325 20.693 ( 0.000 -9.624 -0.104) 9.625 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 3.344 3.225 0.012) 4.646 3.162 ( 4.732 6.895 0.029) 8.363 3.478 ( 1.250 15.745 -0.275) 15.796 3.830 ( -0.984 6.222 0.274) 6.305 4.009 ( -0.335 4.306 -1.519) 4.579 4.069 ( 1.347 3.443 1.568) 4.016 4.126 ( 15.810 3.727 0.192) 16.245 5.227 ( -1.421 3.102 -0.490) 3.447 5.756 ( -4.832 -1.117 0.634) 5.000 6.131 ( 14.962 -6.717 0.270) 16.403 8.284 ( -2.367 17.217 -0.166) 17.379 8.874 ( -6.730 13.194 0.883) 14.837 13.003 ( 6.499 -11.567 0.074) 13.268 13.813 ( -5.724 -17.681 -0.484) 18.591 14.418 ( -2.189 -10.424 0.003) 10.652 17.244 ( 8.092 0.538 -0.089) 8.111 19.508 ( -5.398 -3.497 -0.227) 6.436 20.521 ( -9.181 -8.640 0.077) 12.607 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( 5.969 2.267 0.032) 6.385 3.307 ( 5.863 3.768 -0.032) 6.969 3.625 ( 1.162 9.327 -0.286) 9.404 3.883 ( -0.454 5.584 0.580) 5.633 4.025 ( -0.591 1.514 -1.303) 2.083 4.079 ( -1.598 1.482 0.987) 2.393 4.554 ( 26.397 2.207 0.240) 26.490 5.228 ( -1.932 2.628 -0.516) 3.303 5.674 ( -1.081 -0.769 0.850) 1.576 6.419 ( 22.539 -2.738 -0.037) 22.705 8.363 ( -5.300 11.479 -0.155) 12.644 8.814 ( -12.752 8.374 0.484) 15.263 13.035 ( 5.497 -5.444 -0.028) 7.736 13.517 ( -8.500 -16.082 -0.190) 18.191 14.336 ( 2.388 -4.130 -0.001) 4.771 17.465 ( 14.943 3.336 -0.030) 15.311 19.319 ( -10.999 -5.551 -0.329) 12.325 20.215 ( -17.097 -6.704 0.204) 18.365 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( 6.957 1.325 0.074) 7.082 3.442 ( 6.513 1.953 -0.078) 6.800 3.701 ( 0.315 3.643 -0.074) 3.657 3.903 ( -2.304 2.246 0.238) 3.226 4.027 ( 0.212 0.703 -0.576) 0.933 4.060 ( -1.578 0.339 0.373) 1.656 4.963 ( 16.637 0.256 0.212) 16.640 5.198 ( -1.966 -1.693 -0.117) 2.597 5.796 ( 13.790 5.435 0.239) 14.825 6.824 ( 25.682 -0.804 -0.018) 25.695 8.322 ( -8.570 4.225 -0.025) 9.555 8.613 ( -17.096 3.636 0.083) 17.478 13.043 ( -3.647 3.014 -0.120) 4.732 13.226 ( -6.659 -14.268 -0.015) 15.745 14.438 ( 11.036 0.140 0.020) 11.037 17.810 ( 19.524 5.177 0.065) 20.199 19.039 ( -13.490 -6.154 -0.375) 14.832 19.812 ( -23.049 -4.159 0.252) 23.423 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( 6.240 0.033 0.114) 6.241 3.563 ( 5.910 0.013 -0.093) 5.911 3.715 ( -0.318 0.011 0.048) 0.322 3.855 ( -3.983 -0.061 -0.071) 3.984 4.038 ( -0.538 -0.439 -0.262) 0.742 4.043 ( 0.490 0.459 0.247) 0.715 5.132 ( 3.839 0.896 -0.004) 3.942 5.146 ( -1.602 -0.909 0.140) 1.847 6.175 ( 22.038 0.002 0.020) 22.038 7.258 ( 23.681 -0.015 -0.009) 23.681 8.168 ( -10.323 -0.034 0.037) 10.324 8.321 ( -17.525 -0.096 -0.184) 17.526 12.962 ( -6.699 0.070 -0.053) 6.699 13.051 ( -4.821 -0.084 -0.049) 4.822 14.656 ( 11.772 -0.003 0.016) 11.772 18.211 ( 22.251 -0.114 0.121) 22.251 18.786 ( -9.814 0.308 -0.253) 9.822 19.356 ( -26.608 -0.144 0.168) 26.609 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( 2.466 -3.193 0.265) 4.043 3.609 ( 0.933 -2.792 -0.193) 2.950 3.718 ( 1.304 -1.967 -0.038) 2.361 3.802 ( -1.832 3.081 -0.006) 3.585 4.028 ( 0.053 -0.457 -0.231) 0.515 4.053 ( 0.320 -0.392 0.197) 0.543 5.123 ( 0.985 -1.615 0.355) 1.925 5.172 ( -1.613 3.225 -0.287) 3.618 6.396 ( 7.631 -13.033 0.081) 15.103 7.521 ( 5.375 -9.349 -0.037) 10.784 8.049 ( -2.018 4.104 -0.031) 4.573 8.116 ( -4.339 6.298 -0.216) 7.651 12.894 ( 0.492 -1.095 -0.002) 1.201 13.013 ( -5.369 9.143 -0.089) 10.604 14.769 ( 2.804 -4.800 0.005) 5.559 18.432 ( 13.134 -21.346 -0.248) 25.064 18.781 ( -6.510 7.577 0.720) 10.016 19.010 ( -10.540 20.692 -0.395) 23.225 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( -3.037 -5.372 0.128) 6.173 3.556 ( -2.915 -5.034 -0.107) 5.819 3.718 ( 0.261 0.425 0.044) 0.501 3.851 ( 1.736 3.168 -0.030) 3.613 4.032 ( 0.361 0.595 -0.035) 0.697 4.047 ( -0.318 -0.585 -0.023) 0.666 5.137 ( -1.143 -3.302 0.113) 3.496 5.153 ( 0.309 1.883 0.029) 1.908 6.177 ( -11.074 -19.184 0.023) 22.150 7.257 ( -11.858 -20.506 -0.008) 23.688 8.171 ( 5.117 8.929 0.037) 10.292 8.307 ( 8.534 14.974 -0.188) 17.236 12.958 ( 3.315 5.606 -0.050) 6.513 13.047 ( 2.265 4.089 -0.050) 4.674 14.657 ( -5.853 -10.130 0.016) 11.699 18.220 ( -11.327 -19.380 0.123) 22.448 18.767 ( 5.181 8.367 -0.239) 9.844 19.368 ( 13.303 23.307 0.152) 26.837 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( -4.523 -5.311 0.054) 6.976 3.435 ( -4.945 -4.663 -0.058) 6.797 3.710 ( -3.080 1.820 -0.087) 3.579 3.890 ( -0.778 2.538 0.268) 2.668 4.028 ( -1.492 0.852 -0.606) 1.822 4.058 ( 1.143 1.052 0.382) 1.600 4.975 ( -8.320 -14.540 0.227) 16.754 5.207 ( 2.396 1.618 -0.122) 2.894 5.794 ( -11.833 -9.326 0.238) 15.069 6.822 ( -12.339 -22.528 -0.016) 25.686 8.323 ( 0.430 9.658 -0.031) 9.667 8.593 ( 5.330 16.439 0.084) 17.282 13.038 ( -0.741 4.562 -0.118) 4.623 13.220 ( 15.725 -1.437 -0.014) 15.790 14.439 ( -5.667 -9.514 0.020) 11.074 17.815 ( -14.414 -14.334 0.066) 20.328 19.023 ( 12.396 8.206 -0.358) 14.871 19.826 ( 15.046 18.216 0.234) 23.628 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( -4.857 -3.985 -0.022) 6.283 3.299 ( -6.197 -3.232 0.021) 6.989 3.638 ( -8.613 3.912 -0.343) 9.466 3.878 ( -3.595 2.807 0.712) 4.616 4.008 ( -1.923 1.372 -0.966) 2.552 4.086 ( -0.214 2.046 0.567) 2.134 4.564 ( -15.173 -22.013 0.245) 26.737 5.247 ( -0.732 3.465 -0.540) 3.582 5.668 ( 0.705 0.628 0.886) 1.294 6.413 ( -9.471 -20.664 -0.037) 22.731 8.361 ( -7.777 10.610 -0.163) 13.156 8.794 ( -0.628 14.959 0.486) 14.980 13.031 ( 2.040 -7.359 -0.029) 7.636 13.512 ( 18.479 -0.826 -0.188) 18.498 14.335 ( 2.258 -4.309 -0.003) 4.865 17.468 ( -10.407 -11.358 -0.030) 15.404 19.301 ( 10.470 6.459 -0.315) 12.306 20.232 ( 14.288 11.714 0.189) 18.477 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( -0.000 1.840 -0.061) 1.841 3.185 ( -0.000 5.312 0.137) 5.314 3.605 ( -0.000 11.117 -0.325) 11.122 3.920 ( -0.000 6.140 0.694) 6.179 3.964 ( -0.000 2.276 0.159) 2.282 4.041 ( 0.000 1.743 -1.320) 2.186 4.116 ( -0.000 2.025 0.978) 2.249 5.292 ( -0.000 6.615 -0.199) 6.618 5.834 ( 0.000 -14.567 0.726) 14.585 5.857 ( -0.000 2.837 -0.062) 2.838 8.463 ( -0.000 13.503 -0.265) 13.505 9.045 ( -0.000 8.793 0.556) 8.811 12.837 ( 0.000 -8.494 0.079) 8.495 13.724 ( 0.000 -11.679 -0.413) 11.686 14.341 ( 0.000 -8.106 0.015) 8.106 17.165 ( 0.000 -0.448 -0.067) 0.453 19.536 ( 0.000 -1.663 -0.235) 1.679 20.526 ( 0.000 -6.364 0.153) 6.366 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 3.684 0.982 0.079) 3.813 3.255 ( 3.410 2.261 -0.015) 4.091 3.689 ( 0.210 5.393 -0.135) 5.399 3.951 ( -0.857 4.820 0.598) 4.932 4.036 ( -0.305 -0.581 -1.033) 1.224 4.109 ( 1.018 0.451 0.496) 1.219 4.180 ( 15.666 1.447 0.171) 15.733 5.325 ( -4.201 5.472 -0.168) 6.901 5.663 ( -1.576 -6.434 0.594) 6.651 6.049 ( 16.546 -1.485 -0.047) 16.612 8.538 ( -3.383 7.115 -0.137) 7.880 9.050 ( -6.934 4.220 0.134) 8.118 12.847 ( 7.915 -4.001 0.031) 8.869 13.563 ( -7.976 -6.636 -0.241) 10.378 14.277 ( 0.067 -3.599 -0.014) 3.599 17.253 ( 10.172 0.268 -0.028) 10.175 19.456 ( -7.576 -1.366 -0.268) 7.703 20.396 ( -9.307 -3.412 0.227) 9.916 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( 6.171 0.014 0.162) 6.173 3.344 ( 5.616 -0.007 -0.092) 5.617 3.719 ( 0.134 0.164 0.173) 0.273 3.953 ( -1.758 -0.556 -0.335) 1.874 4.030 ( -0.046 0.740 0.138) 0.754 4.090 ( -1.750 -0.328 -0.052) 1.782 4.573 ( 25.569 -0.078 0.121) 25.569 5.262 ( -4.976 0.229 0.169) 4.984 5.662 ( 4.460 -0.350 0.029) 4.474 6.389 ( 23.233 0.024 -0.004) 23.233 8.484 ( -6.791 0.075 0.034) 6.791 8.896 ( -13.054 -0.185 -0.267) 13.058 12.990 ( 9.045 -0.007 -0.044) 9.045 13.341 ( -12.567 0.061 -0.114) 12.567 14.295 ( 4.643 -0.005 -0.004) 4.643 17.501 ( 17.490 0.015 0.037) 17.490 19.259 ( -13.540 0.081 -0.262) 13.543 20.147 ( -17.432 -0.043 0.250) 17.433 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( 6.960 -1.306 0.200) 7.084 3.442 ( 6.526 -1.917 -0.095) 6.802 3.703 ( 0.221 -3.496 0.259) 3.513 3.899 ( -2.085 -2.493 -0.481) 3.285 4.035 ( -0.109 -0.101 0.671) 0.687 4.054 ( -1.405 -0.841 -0.525) 1.720 4.962 ( 16.738 -0.326 0.110) 16.742 5.201 ( -2.224 1.865 0.268) 2.915 5.793 ( 14.030 -5.730 -0.215) 15.157 6.824 ( 25.663 0.786 -0.027) 25.675 8.322 ( -8.628 -4.214 0.059) 9.602 8.609 ( -17.039 -3.905 -0.499) 17.488 13.043 ( -3.604 -2.976 -0.030) 4.674 13.225 ( -6.733 14.280 -0.138) 15.788 14.438 ( 11.038 -0.141 0.027) 11.039 17.810 ( 19.483 -5.199 0.075) 20.164 19.041 ( -13.388 6.428 -0.111) 14.852 19.811 ( -23.109 4.013 0.165) 23.455 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( 5.600 -3.316 0.274) 6.514 3.512 ( 4.745 -4.854 -0.091) 6.789 3.673 ( 1.327 -4.347 0.123) 4.547 3.845 ( -1.406 -1.063 -0.263) 1.782 4.017 ( -0.295 -1.601 -0.164) 1.636 4.042 ( 0.383 -0.627 0.172) 0.755 5.089 ( 1.963 -1.422 0.585) 2.494 5.244 ( -0.364 6.552 -0.474) 6.579 5.978 ( 18.384 -18.387 0.051) 26.001 7.220 ( 18.877 -4.803 -0.089) 19.479 8.165 ( -4.638 0.081 -0.104) 4.640 8.281 ( -13.434 -3.820 -0.493) 13.976 12.945 ( -5.159 2.671 0.014) 5.810 13.266 ( -8.254 16.753 -0.161) 18.677 14.607 ( 9.022 -4.523 0.022) 10.092 18.005 ( 14.243 -15.401 -0.058) 20.977 18.987 ( -5.744 14.464 0.450) 15.570 19.480 ( -21.598 12.497 -0.197) 24.953 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.479 ( 0.249 -6.220 0.262) 6.230 3.505 ( 1.698 -6.742 -0.083) 6.953 3.675 ( 3.236 -3.250 0.095) 4.587 3.845 ( 1.537 0.781 -0.261) 1.744 4.009 ( 1.137 -1.314 0.032) 1.737 4.046 ( 0.566 -0.080 0.004) 0.572 5.096 ( 0.605 -1.752 0.521) 1.926 5.243 ( -5.273 3.231 -0.488) 6.204 5.980 ( 6.802 -24.941 0.027) 25.852 7.219 ( -5.300 -18.905 -0.069) 19.634 8.167 ( 2.256 3.741 -0.132) 4.370 8.273 ( 9.648 9.901 -0.402) 13.830 12.942 ( 0.041 5.670 0.048) 5.670 13.264 ( -10.528 15.426 -0.133) 18.676 14.608 ( -0.526 -10.023 0.011) 10.037 18.009 ( 6.587 -20.036 -0.105) 21.091 18.975 ( -10.627 11.968 0.600) 16.016 19.490 ( 0.636 25.197 -0.313) 25.207 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( -2.312 -6.579 0.099) 6.974 3.435 ( -1.562 -6.609 -0.038) 6.791 3.710 ( 3.170 -1.837 0.195) 3.669 3.892 ( 2.477 0.761 -0.397) 2.621 4.024 ( 1.545 -1.016 0.477) 1.910 4.060 ( 0.319 1.571 -0.303) 1.632 4.976 ( -8.461 -14.410 -0.064) 16.711 5.206 ( 0.252 2.735 0.218) 2.756 5.796 ( -2.232 -14.729 -0.245) 14.899 6.822 ( -13.346 -21.960 -0.005) 25.697 8.323 ( 8.147 5.165 0.051) 9.647 8.594 ( 11.456 12.930 -0.319) 17.278 13.037 ( 4.345 1.648 0.049) 4.647 13.220 ( -9.125 12.862 -0.066) 15.770 14.440 ( -5.406 -9.665 0.004) 11.074 17.815 ( -5.226 -19.670 0.004) 20.352 19.021 ( 1.039 14.817 0.141) 14.854 19.827 ( 8.187 22.153 -0.045) 23.617 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( -3.029 -5.247 -0.000) 6.058 3.337 ( -2.836 -4.912 -0.000) 5.672 3.733 ( 0.111 0.191 -0.000) 0.221 3.930 ( 0.640 1.109 -0.000) 1.280 4.033 ( -0.013 -0.022 -0.000) 0.025 4.089 ( 0.973 1.685 -0.000) 1.946 4.582 ( -12.868 -22.288 -0.000) 25.736 5.275 ( 2.591 4.487 -0.000) 5.181 5.664 ( -2.117 -3.667 -0.000) 4.234 6.389 ( -11.608 -20.106 -0.000) 23.216 8.487 ( 3.400 5.889 -0.000) 6.801 8.874 ( 6.466 11.199 0.000) 12.931 12.986 ( -4.419 -7.654 -0.000) 8.838 13.332 ( 6.245 10.817 -0.000) 12.490 14.295 ( -2.425 -4.200 0.000) 4.849 17.504 ( -8.832 -15.297 -0.000) 17.663 19.239 ( 6.754 11.698 -0.000) 13.508 20.166 ( 8.781 15.210 0.000) 17.563 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( -0.000 0.038 0.192) 0.196 3.237 ( 0.000 -0.051 -0.112) 0.123 3.716 ( -0.000 0.218 0.264) 0.342 3.988 ( -0.000 -0.044 0.091) 0.101 4.008 ( 0.000 -1.578 -0.724) 1.736 4.034 ( -0.000 1.630 0.321) 1.661 4.134 ( -0.000 -0.265 0.048) 0.269 5.426 ( -0.000 0.351 0.256) 0.434 5.617 ( -0.000 -0.521 0.084) 0.528 5.885 ( 0.000 0.016 -0.033) 0.036 8.604 ( -0.000 0.112 0.036) 0.117 9.130 ( 0.000 -0.211 -0.294) 0.362 12.751 ( -0.000 -0.026 0.018) 0.031 13.606 ( 0.000 0.121 -0.128) 0.176 14.259 ( 0.000 -0.016 -0.063) 0.065 17.161 ( 0.000 0.023 -0.005) 0.023 19.518 ( 0.000 0.050 -0.272) 0.276 20.461 ( -0.000 -0.026 0.280) 0.282 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 3.661 -0.934 0.279) 3.788 3.254 ( 3.445 -2.320 -0.182) 4.157 3.693 ( 0.176 -5.142 0.548) 5.174 3.942 ( -0.878 -4.863 -0.790) 5.005 4.048 ( -0.273 1.074 0.725) 1.324 4.102 ( 1.036 -1.104 -0.554) 1.612 4.179 ( 15.670 -1.565 0.060) 15.748 5.330 ( -4.185 -5.227 0.643) 6.727 5.655 ( -1.591 5.939 -0.515) 6.170 6.049 ( 16.559 1.462 -0.007) 16.623 8.539 ( -3.404 -6.981 0.154) 7.769 9.045 ( -6.916 -4.584 -0.636) 8.322 12.846 ( 7.917 3.961 -0.034) 8.852 13.564 ( -8.011 6.847 -0.001) 10.538 14.277 ( 0.083 3.583 -0.076) 3.584 17.253 ( 10.174 -0.225 0.042) 10.177 19.456 ( -7.558 1.476 -0.266) 7.705 20.397 ( -9.321 3.358 0.310) 9.912 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 5.941 -2.289 0.285) 6.373 3.306 ( 5.921 -3.721 -0.140) 6.995 3.630 ( 1.084 -9.315 0.525) 9.392 3.876 ( -0.434 -5.294 -0.528) 5.338 4.040 ( -0.555 -1.152 0.900) 1.564 4.066 ( -1.599 -2.140 -0.902) 2.820 4.553 ( 26.403 -2.250 0.061) 26.498 5.237 ( -1.972 -2.409 0.775) 3.208 5.664 ( -0.990 0.481 -0.749) 1.332 6.419 ( 22.551 2.625 -0.119) 22.704 8.364 ( -5.368 -11.556 0.060) 12.743 8.805 ( -12.688 -8.617 -0.773) 15.357 13.034 ( 5.554 5.472 -0.074) 7.797 13.518 ( -8.642 16.192 0.022) 18.354 14.336 ( 2.419 4.146 -0.013) 4.800 17.466 ( 14.926 -3.317 0.092) 15.290 19.320 ( -10.905 5.708 -0.166) 12.309 20.215 ( -17.162 6.630 0.262) 18.400 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( 6.466 -4.416 0.274) 7.835 3.368 ( 5.900 -5.182 -0.028) 7.853 3.564 ( 3.035 -10.535 0.358) 10.970 3.825 ( 0.262 -4.221 -0.300) 4.240 4.007 ( -0.932 -3.170 0.593) 3.357 4.025 ( 0.079 -2.022 -0.721) 2.148 4.949 ( 17.906 -1.788 0.410) 17.999 5.240 ( 5.204 0.458 0.301) 5.233 5.618 ( 0.361 -9.144 -0.568) 9.169 6.827 ( 22.047 -1.405 -0.205) 22.092 8.172 ( -2.492 -9.898 -0.270) 10.211 8.462 ( -14.536 -10.218 -0.684) 17.781 13.094 ( -4.843 7.790 0.031) 9.173 13.599 ( -6.756 22.421 -0.111) 23.417 14.438 ( 6.015 0.425 0.064) 6.031 17.647 ( 12.536 -9.806 0.052) 15.915 19.245 ( -7.473 12.370 0.185) 14.453 19.967 ( -20.563 11.260 0.036) 23.444 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( 5.086 -7.274 0.142) 8.877 3.388 ( 2.976 -6.638 0.214) 7.278 3.538 ( 5.531 -9.332 0.157) 10.849 3.806 ( 1.717 -2.718 -0.264) 3.225 3.974 ( 0.789 -2.824 0.292) 2.946 4.019 ( 1.592 -1.691 -0.399) 2.356 5.073 ( 1.578 -1.452 0.837) 2.303 5.381 ( -4.562 5.907 -0.881) 7.515 5.521 ( 14.837 -24.041 0.098) 28.251 7.038 ( 7.383 -13.211 -0.112) 15.134 8.135 ( 3.133 -6.303 -0.820) 7.086 8.210 ( 0.355 0.091 -0.243) 0.440 13.083 ( -6.235 10.524 0.124) 12.233 13.658 ( -12.604 21.681 -0.137) 25.079 14.504 ( 2.873 -4.908 0.073) 5.688 17.702 ( 8.251 -14.123 -0.037) 16.357 19.262 ( -7.786 12.392 0.691) 14.651 19.822 ( -11.331 20.553 -0.359) 23.473 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 0.440 -7.650 0.016) 7.662 3.359 ( 1.764 -7.727 0.150) 7.928 3.568 ( 7.625 -7.752 0.266) 10.877 3.828 ( 3.557 -2.017 -0.473) 4.117 3.980 ( 2.268 -1.817 0.671) 2.983 4.045 ( 2.437 -0.305 -0.556) 2.518 4.968 ( -7.613 -16.607 -0.096) 18.269 5.230 ( -2.223 -3.713 0.573) 4.366 5.625 ( 7.733 -4.828 -0.767) 9.148 6.821 ( -9.743 -20.138 -0.036) 22.371 8.166 ( 10.074 -3.189 -0.120) 10.567 8.460 ( 15.633 7.809 -0.621) 17.486 13.090 ( -4.482 8.039 0.144) 9.205 13.595 ( -16.194 17.094 -0.027) 23.547 14.439 ( -3.353 -5.071 0.036) 6.079 17.649 ( 2.328 -15.806 -0.017) 15.977 19.231 ( -7.465 12.577 0.542) 14.635 19.979 ( 0.908 23.536 -0.281) 23.555 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -0.000 -1.792 0.390) 1.834 3.182 ( 0.000 -5.381 -0.275) 5.388 3.611 ( 0.000 -11.182 0.665) 11.202 3.913 ( 0.000 -5.672 -0.533) 5.697 3.963 ( 0.000 -2.356 0.017) 2.356 4.053 ( -0.000 -1.382 0.463) 1.458 4.105 ( 0.000 -2.741 -0.564) 2.799 5.299 ( -0.000 -6.547 0.850) 6.602 5.823 ( -0.000 14.240 -0.892) 14.268 5.857 ( 0.000 -2.810 -0.015) 2.810 8.465 ( 0.000 -13.529 0.143) 13.530 9.036 ( 0.000 -9.077 -0.869) 9.118 12.836 ( -0.000 8.446 -0.052) 8.446 13.728 ( -0.000 11.934 0.175) 11.936 14.340 ( -0.000 8.109 -0.125) 8.110 17.166 ( -0.000 0.491 0.063) 0.495 19.536 ( 0.000 1.741 -0.292) 1.765 20.528 ( -0.000 6.341 0.370) 6.352 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( 3.352 -3.832 0.248) 5.097 3.161 ( 4.759 -6.292 -0.086) 7.890 3.484 ( 1.242 -15.904 0.600) 15.963 3.828 ( -1.029 -5.755 -0.077) 5.847 4.025 ( -0.226 -3.937 0.587) 3.987 4.051 ( 0.650 -4.095 -0.904) 4.243 4.124 ( 16.448 -3.743 -0.019) 16.868 5.237 ( -1.350 -2.990 1.042) 3.442 5.747 ( -5.215 1.363 -0.665) 5.431 6.126 ( 15.295 6.281 -0.612) 16.546 8.284 ( -2.416 -17.485 -0.099) 17.651 8.863 ( -6.685 -13.409 -0.918) 15.012 13.002 ( 6.523 11.545 -0.092) 13.260 13.818 ( -5.831 17.925 0.296) 18.852 14.417 ( -2.154 10.466 -0.088) 10.685 17.245 ( 8.090 -0.506 0.107) 8.107 19.508 ( -5.332 3.570 -0.263) 6.422 20.523 ( -9.230 8.640 0.379) 12.649 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 5.833 -7.384 0.148) 9.411 3.207 ( 6.432 -5.349 0.128) 8.366 3.362 ( 4.227 -17.229 0.488) 17.746 3.768 ( 0.441 -5.240 0.093) 5.260 3.973 ( -0.069 -6.190 1.520) 6.375 3.992 ( -0.348 -4.743 -2.025) 5.169 4.467 ( 26.513 -6.719 0.190) 27.352 5.204 ( -0.673 -0.504 1.086) 1.374 5.660 ( -5.713 -0.970 -0.823) 5.853 6.463 ( 18.857 0.784 -0.543) 18.881 8.070 ( -1.352 -16.244 -0.590) 16.311 8.553 ( -11.029 -16.179 -0.798) 19.597 13.222 ( 2.673 13.149 -0.048) 13.418 13.927 ( -4.896 23.642 0.253) 24.145 14.465 ( -3.691 9.053 0.023) 9.777 17.385 ( 9.471 -4.469 0.111) 10.473 19.463 ( -5.445 7.998 -0.064) 9.676 20.397 ( -15.963 10.883 0.266) 19.322 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 6.662 -11.125 0.333) 12.971 3.255 ( 5.109 -6.071 0.257) 7.939 3.304 ( 7.364 -14.698 0.078) 16.439 3.739 ( 1.698 -4.198 0.081) 4.529 3.917 ( 1.028 -6.271 1.072) 6.445 3.954 ( 2.017 -4.778 -1.554) 5.414 4.816 ( 22.173 -13.838 0.337) 26.139 5.208 ( 1.591 -1.232 0.894) 2.202 5.527 ( -7.176 -0.095 -0.861) 7.228 6.730 ( 14.537 -8.926 -0.211) 17.060 7.970 ( 5.386 -8.971 -1.331) 10.548 8.215 ( -7.500 -13.886 -0.424) 15.788 13.327 ( -6.021 14.595 0.124) 15.789 14.086 ( -7.991 25.797 0.034) 27.006 14.472 ( -2.460 3.515 0.179) 4.294 17.458 ( 6.721 -8.559 0.037) 10.883 19.484 ( -4.171 10.639 0.347) 11.433 20.240 ( -15.246 15.500 -0.022) 21.742 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 6.709 -11.105 0.100) 12.975 3.251 ( 2.548 -7.842 0.410) 8.256 3.309 ( 9.114 -13.170 -0.081) 16.016 3.742 ( 2.997 -3.363 -0.103) 4.506 3.902 ( 3.428 -4.785 1.081) 5.985 3.965 ( 4.363 -3.565 -1.360) 5.796 4.825 ( 1.574 -26.255 -0.059) 26.302 5.205 ( -0.108 -1.228 1.034) 1.609 5.529 ( 4.057 5.969 -0.966) 7.281 6.723 ( 0.032 -17.523 0.066) 17.523 7.958 ( 5.122 -9.690 -0.812) 10.990 8.223 ( 15.741 0.088 -0.799) 15.762 13.325 ( -9.816 12.416 0.206) 15.829 14.086 ( -18.437 20.042 0.011) 27.233 14.471 ( -1.821 3.685 0.210) 4.116 17.459 ( 4.124 -10.067 -0.001) 10.879 19.478 ( -7.702 8.744 0.575) 11.666 20.245 ( -5.327 21.090 -0.231) 21.753 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 0.000 -11.291 -0.315) 11.295 3.084 ( -0.000 -3.558 0.512) 3.595 3.285 ( 0.000 -21.150 0.648) 21.160 3.798 ( 0.000 -5.699 0.337) 5.709 3.902 ( 0.000 -3.582 -0.044) 3.583 3.974 ( -0.000 -6.998 1.056) 7.078 4.014 ( 0.000 -6.000 -1.602) 6.211 5.233 ( -0.000 -0.542 1.282) 1.392 5.775 ( 0.000 -5.387 -0.024) 5.387 6.076 ( 0.000 10.012 -1.538) 10.130 8.113 ( 0.000 -20.037 -0.483) 20.043 8.762 ( 0.000 -17.924 -0.931) 17.948 13.076 ( -0.000 15.322 -0.123) 15.323 14.065 ( -0.000 21.169 0.541) 21.176 14.572 ( -0.000 14.882 -0.076) 14.882 17.181 ( -0.000 0.967 0.134) 0.977 19.578 ( 0.000 2.327 -0.334) 2.351 20.696 ( -0.000 9.712 0.470) 9.723 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 6.805 -12.843 -0.176) 14.535 3.056 ( 2.478 -13.107 0.478) 13.348 3.103 ( 4.114 -15.290 0.649) 15.847 3.719 ( -1.044 -5.301 0.544) 5.430 3.894 ( 0.401 -9.503 1.123) 9.577 3.926 ( 0.679 -7.798 -1.796) 8.030 4.034 ( 14.946 -5.292 -0.015) 15.855 5.232 ( -1.121 1.773 1.450) 2.550 5.704 ( -1.849 -4.785 -0.329) 5.140 6.223 ( 9.353 1.184 -1.198) 9.504 7.911 ( -0.446 -17.398 -1.129) 17.441 8.511 ( -5.797 -21.191 -0.836) 21.986 13.292 ( 5.126 17.176 -0.136) 17.925 14.250 ( -4.483 24.568 0.687) 24.983 14.687 ( -5.181 16.404 0.013) 17.202 17.237 ( 4.858 -0.332 0.156) 4.872 19.582 ( -1.826 3.532 -0.280) 3.986 20.718 ( -8.704 9.958 0.477) 13.234 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 6.647 -21.276 0.729) 22.302 2.996 ( 10.490 -14.945 -0.320) 18.262 3.109 ( 5.013 -6.205 0.438) 7.989 3.670 ( 1.123 -5.017 0.670) 5.184 3.812 ( 1.695 -10.426 1.580) 10.681 3.852 ( 1.595 -8.409 -2.587) 8.942 4.289 ( 21.252 -10.754 0.210) 23.819 5.236 ( -1.569 3.023 1.432) 3.694 5.604 ( -4.019 -4.522 -0.570) 6.076 6.388 ( 13.798 -9.383 -0.420) 16.691 7.792 ( 3.704 -9.423 -1.963) 10.314 8.170 ( -7.527 -21.281 -0.617) 22.581 13.533 ( 1.052 17.196 -0.043) 17.228 14.424 ( -4.013 25.278 0.692) 25.603 14.707 ( -11.195 15.593 0.090) 19.195 17.303 ( 4.354 -3.566 0.104) 5.629 19.610 ( -0.527 6.113 -0.044) 6.136 20.623 ( -13.075 10.938 0.369) 17.051 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 12.194 -20.546 0.433) 23.896 3.020 ( 8.459 -14.507 -0.329) 16.796 3.125 ( 4.132 -7.101 0.339) 8.223 3.659 ( 2.760 -4.385 0.549) 5.210 3.766 ( 4.325 -9.122 1.640) 10.228 3.822 ( 5.064 -7.498 -2.556) 9.402 4.448 ( 12.230 -20.691 0.023) 24.035 5.242 ( -1.835 3.417 1.296) 4.090 5.527 ( 0.499 -0.921 -0.605) 1.210 6.466 ( 9.391 -17.194 0.293) 19.594 7.825 ( 0.923 -5.980 -2.123) 6.412 7.932 ( 9.973 -12.671 -0.643) 16.138 13.630 ( -8.462 14.455 0.120) 16.750 14.602 ( -7.901 25.190 0.391) 26.403 14.610 ( -13.188 11.353 0.303) 17.404 17.320 ( 3.081 -5.252 0.021) 6.089 19.647 ( -3.183 5.220 0.206) 6.117 20.551 ( -8.478 14.840 0.216) 17.092 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 0.000 -17.384 -0.167) 17.385 2.800 ( 0.000 -27.452 0.895) 27.466 2.999 ( 0.000 -5.134 0.473) 5.156 3.683 ( -0.000 -7.012 1.177) 7.110 3.784 ( 0.000 -11.875 0.927) 11.912 3.828 ( 0.000 -3.749 -0.071) 3.750 3.852 ( 0.000 -9.386 -2.138) 9.627 5.274 ( -0.000 3.450 1.748) 3.867 5.647 ( 0.000 -7.362 -0.055) 7.362 6.128 ( 0.000 -6.317 -1.290) 6.447 7.755 ( 0.000 -13.186 -1.893) 13.321 8.330 ( 0.000 -24.141 -0.792) 24.154 13.427 ( -0.000 19.478 -0.182) 19.479 14.553 ( -0.000 26.973 0.922) 26.989 14.919 ( -0.000 19.682 0.197) 19.683 17.205 ( -0.000 1.402 0.198) 1.416 19.610 ( 0.000 0.611 -0.377) 0.718 20.885 ( -0.000 8.035 0.617) 8.059 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 4.550 -28.821 0.829) 29.190 2.643 ( 10.441 -18.465 -0.044) 21.213 2.975 ( 3.283 -6.017 0.406) 6.867 3.584 ( 0.495 -12.479 2.012) 12.650 3.685 ( 0.958 -8.794 -0.429) 8.856 3.732 ( -0.050 -10.225 -1.680) 10.362 3.919 ( 12.040 -6.026 -0.009) 13.464 5.304 ( -1.322 4.286 1.826) 4.843 5.572 ( -0.355 -8.279 -0.178) 8.288 6.075 ( 7.808 -16.054 -0.599) 17.862 7.653 ( 1.583 -9.296 -2.516) 9.760 8.054 ( -4.321 -21.270 -0.800) 21.719 13.663 ( 3.590 19.526 -0.172) 19.854 14.780 ( -5.540 27.836 1.041) 28.401 15.061 ( -7.227 20.851 0.381) 22.071 17.236 ( 1.631 0.183 0.181) 1.651 19.626 ( 1.990 0.469 -0.288) 2.065 20.887 ( -7.216 5.850 0.677) 9.314 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 11.494 -27.461 0.462) 29.773 2.675 ( 12.908 -18.432 -0.131) 22.503 2.981 ( 4.352 -6.942 0.329) 8.201 3.493 ( 5.852 -15.989 1.917) 17.134 3.640 ( 4.397 -10.416 -2.562) 11.593 3.650 ( 0.579 -4.868 0.355) 4.915 4.063 ( 12.574 -11.454 0.052) 17.009 5.322 ( -2.070 4.411 1.744) 5.176 5.469 ( 0.257 -8.869 -0.353) 8.880 6.086 ( 12.673 -19.364 0.278) 23.144 7.600 ( 8.262 -18.422 -1.643) 20.257 7.827 ( -4.772 -3.654 -1.894) 6.301 13.873 ( -1.996 16.247 -0.069) 16.369 14.922 ( -8.881 24.648 0.972) 26.217 15.091 ( -13.552 22.254 0.437) 26.060 17.250 ( 1.042 -1.659 0.074) 1.961 19.682 ( 2.630 0.672 -0.220) 2.724 20.802 ( -7.681 6.028 0.812) 9.797 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 0.000 -31.305 1.075) 31.323 2.326 ( 0.000 -22.766 0.068) 22.766 2.886 ( 0.000 -6.335 0.333) 6.344 3.404 ( 0.000 -21.863 2.324) 21.986 3.571 ( 0.000 -12.229 -2.617) 12.506 3.679 ( 0.000 -4.689 0.206) 4.693 3.755 ( 0.000 -3.423 -0.056) 3.424 5.363 ( -0.000 3.910 2.239) 4.506 5.488 ( 0.000 -8.333 -0.091) 8.333 5.798 ( 0.000 -24.072 -0.664) 24.081 7.499 ( 0.000 -19.996 -2.161) 20.113 7.935 ( 0.000 -7.243 -1.412) 7.379 13.829 ( -0.000 20.455 -0.213) 20.456 15.127 ( -0.000 29.897 1.018) 29.914 15.346 ( -0.000 22.785 0.981) 22.806 17.237 ( -0.000 1.684 0.237) 1.701 19.579 ( 0.000 -4.122 -0.211) 4.127 20.981 ( -0.000 0.323 0.815) 0.876 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 6.604 -31.683 0.722) 32.372 2.225 ( 13.614 -23.356 0.169) 27.035 2.848 ( 2.891 -6.840 0.253) 7.431 3.195 ( 4.138 -25.943 1.722) 26.327 3.449 ( 2.482 -14.272 -2.406) 14.685 3.630 ( -1.065 -1.438 0.446) 1.844 3.804 ( 7.736 -5.383 0.018) 9.425 5.345 ( -1.593 -13.141 1.583) 13.331 5.409 ( -0.856 1.993 0.538) 2.235 5.675 ( 11.285 -19.490 -0.329) 22.524 7.260 ( 3.165 -29.167 -1.252) 29.365 7.906 ( -3.007 5.832 -2.152) 6.906 14.046 ( 1.104 18.466 -0.178) 18.500 15.356 ( -8.190 29.439 0.896) 30.570 15.509 ( -8.085 23.515 1.319) 24.901 17.246 ( -0.771 0.745 0.171) 1.086 19.578 ( 5.670 -5.562 -0.072) 7.943 20.919 ( -4.005 -3.881 1.053) 5.675 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 -33.112 1.004) 33.127 1.829 ( 0.000 -27.024 0.330) 27.026 2.755 ( 0.000 -6.743 0.148) 6.745 2.857 ( 0.000 -34.038 1.277) 34.062 3.267 ( 0.000 -16.373 -2.024) 16.498 3.643 ( -0.000 0.179 0.503) 0.534 3.693 ( 0.000 -2.841 -0.019) 2.841 5.207 ( 0.000 -26.055 1.551) 26.102 5.323 ( 0.000 -8.002 -0.106) 8.003 5.495 ( -0.000 1.059 0.032) 1.059 6.915 ( 0.000 -33.065 -0.553) 33.070 8.015 ( 0.000 10.522 -1.888) 10.690 14.219 ( -0.000 18.377 -0.209) 18.378 15.737 ( -0.000 30.781 -0.228) 30.782 15.832 ( -0.000 25.257 3.075) 25.443 17.272 ( -0.000 1.694 0.237) 1.710 19.428 ( 0.000 -11.511 0.990) 11.554 20.868 ( 0.000 -12.712 0.636) 12.728 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.103 ( -0.000 0.000 7.817) 7.817 0.103 ( -0.000 0.000 7.817) 7.817 0.173 ( -0.000 0.000 15.027) 15.027 2.493 ( 0.000 -0.000 -0.390) 0.390 2.493 ( 0.000 -0.000 -0.390) 0.390 3.603 ( -0.000 0.000 0.122) 0.122 3.603 ( -0.000 0.000 0.122) 0.122 3.971 ( 0.000 -0.000 -1.837) 1.837 5.043 ( 0.000 -0.000 -0.030) 0.030 5.043 ( 0.000 -0.000 -0.030) 0.030 6.208 ( 0.000 -0.000 -2.347) 2.347 8.561 ( -0.000 0.000 6.479) 6.479 14.828 ( 0.000 -0.000 -0.058) 0.058 14.828 ( 0.000 -0.000 -0.058) 0.058 17.122 ( -0.000 0.000 0.799) 0.799 17.334 ( 0.000 -0.000 -0.003) 0.003 17.334 ( 0.000 -0.000 -0.003) 0.003 19.456 ( 0.000 -0.000 -2.380) 2.380 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 17.911 10.341 6.659) 21.728 0.664 ( 27.174 15.689 1.853) 31.432 1.075 ( 45.379 26.199 0.346) 52.400 2.527 ( 2.972 1.716 -0.475) 3.465 2.633 ( 10.796 6.233 0.697) 12.486 3.614 ( 0.919 0.530 0.151) 1.071 3.775 ( -4.934 -2.849 -3.649) 6.765 4.206 ( 17.915 10.343 -10.544) 23.218 5.077 ( 2.989 1.726 -0.068) 3.452 5.229 ( 13.017 7.516 -0.251) 15.033 6.103 ( 2.826 1.632 5.355) 6.271 8.479 ( -6.674 -3.853 5.245) 9.321 14.753 ( -6.401 -3.696 -0.107) 7.392 16.573 ( -6.207 -3.584 -31.666) 32.467 17.026 ( -22.106 -12.763 1.250) 25.556 17.328 ( -0.618 -0.357 0.048) 0.715 18.422 ( 73.199 42.261 -39.889) 93.462 19.542 ( 15.195 8.773 -18.312) 25.361 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 26.716 15.425 2.514) 30.952 1.280 ( 25.864 14.933 1.188) 29.889 2.061 ( 39.488 22.799 -0.395) 45.599 2.621 ( 5.079 2.932 -0.512) 5.887 2.940 ( 14.688 8.480 2.110) 17.091 3.646 ( 1.782 1.029 0.187) 2.066 3.671 ( -3.026 -1.747 -1.739) 3.902 4.627 ( 21.094 12.178 -7.378) 25.450 5.175 ( 5.429 3.134 -0.100) 6.270 5.459 ( 4.773 2.756 -1.611) 5.742 6.373 ( 19.971 11.530 4.660) 23.527 8.295 ( -9.793 -5.654 5.517) 12.582 14.539 ( -11.923 -6.884 -0.078) 13.768 16.188 ( -19.154 -11.059 -9.788) 24.187 16.440 ( -26.979 -15.576 -0.930) 31.166 17.307 ( -1.174 -0.678 0.027) 1.356 19.260 ( 15.430 8.908 8.651) 19.806 20.157 ( 34.362 19.839 -27.126) 48.064 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 28.435 16.417 1.098) 32.852 1.849 ( 23.241 13.418 0.880) 26.850 2.749 ( 5.893 3.402 -0.507) 6.824 2.855 ( 29.262 16.894 -1.551) 33.824 3.284 ( 14.226 8.214 3.201) 16.736 3.634 ( 0.128 0.074 -1.342) 1.350 3.696 ( 2.501 1.444 0.225) 2.896 5.154 ( 25.388 14.658 -4.672) 29.686 5.319 ( 6.897 3.982 -0.116) 7.965 5.465 ( -2.453 -1.416 -1.806) 3.359 6.948 ( 26.636 15.378 2.776) 30.881 8.084 ( -8.523 -4.921 5.953) 11.502 14.216 ( -15.875 -9.165 0.011) 18.330 15.691 ( -23.285 -13.444 -2.563) 27.009 15.839 ( -23.932 -13.817 -2.736) 27.770 17.275 ( -1.498 -0.865 -0.047) 1.731 19.505 ( 6.459 3.729 4.163) 8.541 20.730 ( 17.517 10.113 -9.565) 22.374 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 26.885 15.522 0.383) 31.046 2.344 ( 19.497 11.257 0.654) 22.523 2.881 ( 5.602 3.234 -0.480) 6.486 3.398 ( 18.672 10.780 -2.596) 21.716 3.579 ( 9.411 5.434 2.603) 11.175 3.682 ( 5.452 3.148 0.015) 6.296 3.760 ( 3.012 1.739 0.246) 3.487 5.376 ( -4.072 -2.351 -1.381) 4.900 5.483 ( 7.209 4.162 -0.107) 8.325 5.728 ( 22.839 13.186 -2.347) 26.476 7.484 ( 16.229 9.370 1.640) 18.811 8.023 ( 5.955 3.438 4.884) 8.434 13.826 ( -17.630 -10.179 0.110) 20.358 15.115 ( -25.554 -14.754 -1.429) 29.542 15.339 ( -19.744 -11.399 -1.430) 22.844 17.240 ( -1.533 -0.885 -0.128) 1.775 19.602 ( 1.757 1.015 1.186) 2.350 20.936 ( 2.467 1.424 -2.735) 3.949 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 14.747 8.514 0.469) 17.035 2.824 ( 23.299 13.451 -0.091) 26.903 2.999 ( 4.616 2.665 -0.443) 5.349 3.702 ( 5.921 3.418 -1.369) 6.972 3.737 ( 9.600 5.542 -0.769) 11.111 3.834 ( 3.301 1.906 0.223) 3.818 3.886 ( 8.986 5.188 2.129) 10.592 5.287 ( -2.993 -1.728 -1.315) 3.698 5.642 ( 6.402 3.696 -0.075) 7.393 6.090 ( 7.006 4.045 0.263) 8.094 7.744 ( 11.676 6.741 1.547) 13.571 8.377 ( 19.153 11.058 2.071) 22.212 13.426 ( -16.767 -9.680 0.161) 19.361 14.542 ( -23.479 -13.556 -1.189) 27.138 14.914 ( -16.945 -9.783 -0.344) 19.570 17.206 ( -1.305 -0.754 -0.166) 1.516 19.605 ( -1.253 -0.724 0.229) 1.465 20.881 ( -5.897 -3.405 -0.716) 6.847 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 9.366 5.408 0.303) 10.820 3.090 ( 3.332 1.924 -0.372) 3.865 3.299 ( 17.635 10.182 -0.428) 20.368 3.817 ( 5.117 2.954 -0.100) 5.910 3.910 ( 3.141 1.814 0.133) 3.630 3.920 ( 5.839 3.371 -0.710) 6.779 4.054 ( 5.197 3.001 1.062) 6.094 5.252 ( 0.489 0.283 -1.131) 1.264 5.771 ( 4.714 2.722 -0.031) 5.443 6.063 ( -7.629 -4.404 1.417) 8.922 8.099 ( 17.428 10.062 0.327) 20.127 8.780 ( 14.613 8.437 1.167) 16.914 13.077 ( -13.194 -7.618 0.136) 15.236 14.052 ( -18.452 -10.653 -0.709) 21.318 14.568 ( -12.837 -7.411 0.037) 14.823 17.181 ( -0.903 -0.522 -0.138) 1.052 19.561 ( -2.221 -1.282 0.112) 2.567 20.709 ( -8.050 -4.648 -0.298) 9.300 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 1.848 1.067 -0.415) 2.173 3.181 ( 4.248 2.453 0.302) 4.915 3.616 ( 9.763 5.637 -0.653) 11.292 3.931 ( 4.234 2.444 0.769) 4.949 3.971 ( 2.011 1.161 -0.017) 2.322 4.007 ( 2.021 1.167 -0.345) 2.359 4.130 ( 1.512 0.873 0.222) 1.760 5.317 ( 5.413 3.125 -0.910) 6.316 5.828 ( -11.656 -6.730 0.930) 13.492 5.854 ( 2.486 1.435 0.015) 2.870 8.458 ( 12.159 7.020 -0.135) 14.040 9.033 ( 7.052 4.071 0.868) 8.189 12.838 ( -7.304 -4.217 0.052) 8.434 13.715 ( -10.273 -5.931 -0.185) 11.864 14.337 ( -7.038 -4.064 0.130) 8.128 17.165 ( -0.433 -0.250 -0.063) 0.504 19.517 ( -1.485 -0.857 0.268) 1.736 20.546 ( -5.425 -3.132 -0.345) 6.274 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 0.089 0.051 -0.356) 0.371 3.229 ( -0.107 -0.062 0.210) 0.244 3.734 ( 0.391 0.226 -0.515) 0.685 3.975 ( -1.142 -0.659 0.754) 1.519 3.994 ( -0.070 -0.041 -0.167) 0.186 4.037 ( 1.025 0.592 0.175) 1.197 4.141 ( -0.261 -0.151 -0.245) 0.388 5.443 ( 0.551 0.318 -0.476) 0.795 5.622 ( -0.835 -0.482 -0.152) 0.976 5.883 ( 0.025 0.014 0.060) 0.067 8.607 ( 0.187 0.108 -0.075) 0.229 9.110 ( -0.345 -0.199 0.556) 0.684 12.752 ( -0.041 -0.024 -0.034) 0.058 13.597 ( 0.193 0.112 0.226) 0.318 14.254 ( -0.026 -0.015 0.122) 0.126 17.160 ( 0.036 0.021 0.010) 0.043 19.501 ( 0.078 0.045 0.467) 0.476 20.479 ( -0.039 -0.022 -0.481) 0.483 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( -1.552 -0.896 -0.292) 1.816 3.176 ( -4.600 -2.656 0.075) 5.312 3.625 ( -9.784 -5.649 -0.150) 11.299 3.910 ( -3.989 -2.303 -0.451) 4.628 3.968 ( -2.119 -1.223 -0.244) 2.458 4.033 ( -1.723 -0.995 1.417) 2.443 4.116 ( -2.176 -1.257 -0.855) 2.655 5.322 ( -5.334 -3.079 -0.613) 6.189 5.811 ( 11.394 6.579 -0.127) 13.158 5.855 ( -2.437 -1.407 0.102) 2.816 8.464 ( -12.070 -6.969 0.245) 13.939 9.021 ( -7.625 -4.402 0.079) 8.804 12.836 ( 7.249 4.185 -0.060) 8.370 13.725 ( 10.606 6.123 0.398) 12.253 14.336 ( 7.035 4.062 0.110) 8.124 17.166 ( 0.484 0.279 0.032) 0.560 19.522 ( 1.585 0.915 0.592) 1.923 20.543 ( 5.419 3.128 -0.553) 6.281 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( -9.682 -5.590 -0.094) 11.180 3.092 ( -3.110 -1.796 -0.241) 3.599 3.299 ( -18.066 -10.431 -0.529) 20.868 3.806 ( -4.679 -2.701 -0.546) 5.430 3.904 ( -3.178 -1.835 -0.218) 3.676 3.958 ( -5.235 -3.022 1.944) 6.350 4.020 ( -6.113 -3.529 -1.472) 7.210 5.257 ( -0.252 -0.146 -0.874) 0.921 5.773 ( -4.673 -2.698 0.136) 5.398 6.051 ( 8.154 4.708 0.721) 9.443 8.102 ( -17.890 -10.329 0.515) 20.664 8.756 ( -15.298 -8.832 -0.377) 17.668 13.075 ( 13.200 7.621 -0.007) 15.242 14.068 ( 18.666 10.777 0.263) 21.555 14.569 ( 12.958 7.482 0.126) 14.964 17.182 ( 0.902 0.521 -0.017) 1.042 19.568 ( 2.120 1.224 0.558) 2.511 20.706 ( 8.314 4.800 -0.461) 9.611 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -14.980 -8.649 -0.264) 17.300 2.813 ( -23.658 -13.659 -1.014) 27.337 3.003 ( -4.490 -2.592 -0.186) 5.188 3.696 ( -5.208 -3.007 -0.835) 6.071 3.784 ( -10.687 -6.170 1.302) 12.408 3.828 ( -3.285 -1.896 -0.133) 3.795 3.840 ( -8.568 -4.947 -0.549) 9.909 5.293 ( 3.158 1.823 -1.156) 3.826 5.645 ( -6.379 -3.683 0.153) 7.367 6.109 ( -5.297 -3.058 1.593) 6.320 7.736 ( -12.150 -7.015 1.069) 14.070 8.331 ( -20.770 -11.991 -0.896) 24.000 13.425 ( 16.827 9.715 0.095) 19.430 14.560 ( 23.586 13.617 -0.117) 27.235 14.920 ( 17.246 9.957 0.056) 19.914 17.207 ( 1.256 0.725 -0.113) 1.454 19.606 ( 0.656 0.378 0.292) 0.811 20.890 ( 6.894 3.980 -0.142) 7.962 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -27.126 -15.661 -1.205) 31.346 2.328 ( -19.691 -11.368 -0.353) 22.740 2.887 ( -5.508 -3.180 -0.150) 6.362 3.417 ( -19.084 -11.018 -1.699) 22.102 3.557 ( -10.746 -6.204 1.905) 12.554 3.680 ( -3.790 -2.188 -0.230) 4.382 3.755 ( -2.975 -1.718 -0.046) 3.436 5.376 ( 3.640 2.101 -1.755) 4.554 5.487 ( -7.214 -4.165 0.143) 8.331 5.790 ( -20.806 -12.013 1.710) 24.086 7.487 ( -16.866 -9.737 1.780) 19.556 7.933 ( -6.978 -4.029 -0.679) 8.086 13.828 ( 17.705 10.222 0.184) 20.444 15.132 ( 25.884 14.944 -0.442) 29.891 15.351 ( 20.075 11.590 -0.542) 23.187 17.239 ( 1.470 0.849 -0.203) 1.710 19.579 ( -3.438 -1.985 -0.246) 3.977 20.983 ( 0.326 0.188 0.235) 0.444 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -0.000 19.239 7.128) 20.517 0.647 ( -0.000 31.240 1.152) 31.261 1.088 ( -0.000 51.621 0.960) 51.630 2.528 ( 0.000 3.504 -0.429) 3.531 2.639 ( -0.000 12.953 0.842) 12.980 3.614 ( -0.000 1.035 0.141) 1.044 3.772 ( 0.000 -5.153 -3.793) 6.398 4.196 ( 0.000 22.100 -10.759) 24.579 5.079 ( -0.000 3.517 -0.016) 3.517 5.214 ( -0.000 14.877 -0.305) 14.880 6.092 ( -0.000 1.476 4.773) 4.996 8.490 ( -0.000 -7.916 5.769) 9.795 14.755 ( 0.000 -7.267 0.003) 7.267 16.523 ( 0.000 0.215 -35.790) 35.791 17.011 ( 0.000 -28.667 1.151) 28.691 17.325 ( 0.000 -0.844 -0.075) 0.847 18.196 ( 0.000 79.740 -35.422) 87.254 19.648 ( 0.000 27.424 -17.040) 32.287 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 15.085 23.790 3.677) 28.408 1.169 ( 17.410 28.188 0.919) 33.144 1.789 ( 23.046 40.056 -0.236) 46.213 2.594 ( 2.718 4.945 -0.497) 5.665 2.857 ( 7.891 14.561 2.106) 16.695 3.645 ( 1.455 2.409 0.163) 2.819 3.683 ( -2.521 -4.144 -2.149) 5.306 4.484 ( 10.189 19.689 -8.169) 23.627 5.184 ( 4.055 7.577 -0.583) 8.613 5.396 ( 4.748 7.780 -1.100) 9.181 6.242 ( 9.698 13.031 4.674) 16.902 8.363 ( -5.333 -9.528 5.709) 12.322 14.622 ( -5.656 -9.380 -0.012) 10.953 16.289 ( -10.441 -14.929 -14.870) 23.516 16.573 ( -14.364 -29.667 -0.162) 32.962 17.293 ( -0.769 -1.758 0.003) 1.919 19.066 ( 25.714 24.355 0.342) 35.419 19.987 ( 9.477 37.977 -26.228) 47.117 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 22.964 22.900 1.683) 32.474 1.736 ( 15.968 26.630 0.707) 31.059 2.560 ( 26.096 25.694 -1.335) 36.646 2.711 ( 4.547 6.420 -0.522) 7.884 3.170 ( 11.058 12.664 3.292) 17.132 3.620 ( -0.657 -1.786 -1.626) 2.503 3.711 ( 1.703 5.286 0.137) 5.555 4.895 ( 17.780 16.421 -5.236) 24.763 5.347 ( 3.081 13.307 -0.766) 13.680 5.464 ( 0.568 -1.397 -1.702) 2.274 6.698 ( 21.108 19.195 3.666) 28.765 8.166 ( -7.288 -9.176 5.996) 13.163 14.378 ( -11.723 -9.298 0.016) 14.963 15.867 ( -16.551 -18.210 -4.675) 25.048 16.004 ( -17.889 -25.017 -2.710) 30.874 17.267 ( 0.004 -2.264 -0.009) 2.264 19.484 ( 7.034 9.668 5.620) 13.211 20.520 ( 17.323 20.649 -14.307) 30.515 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 24.330 20.795 0.650) 32.012 2.241 ( 13.592 23.012 0.523) 26.731 2.841 ( 4.556 5.976 -0.511) 7.532 3.178 ( 20.268 15.872 -2.363) 25.851 3.481 ( 10.584 9.582 3.603) 14.725 3.622 ( 2.441 0.212 -1.056) 2.668 3.807 ( 0.804 9.360 0.092) 9.395 5.324 ( 14.713 5.627 -1.638) 15.837 5.403 ( -1.313 -2.126 -1.342) 2.836 5.620 ( 9.579 21.154 -1.880) 23.298 7.273 ( 21.647 15.919 2.028) 26.947 7.999 ( -2.561 -5.675 5.632) 8.396 14.043 ( -16.549 -8.227 0.075) 18.481 15.336 ( -20.754 -20.825 -1.451) 29.436 15.490 ( -15.917 -19.014 -2.400) 24.913 17.248 ( -0.258 -1.115 -0.083) 1.147 19.620 ( 0.326 5.330 1.934) 5.680 20.839 ( 8.367 2.484 -4.516) 9.827 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 22.690 17.658 0.018) 28.751 2.657 ( 10.719 17.899 0.399) 20.867 2.971 ( 3.726 5.903 -0.478) 6.997 3.572 ( 12.125 7.347 -2.517) 14.399 3.660 ( 4.949 3.327 0.222) 5.968 3.778 ( 9.649 6.332 2.363) 11.781 3.921 ( -0.919 13.513 0.009) 13.545 5.304 ( -2.569 -3.858 -1.472) 4.863 5.570 ( 7.477 4.205 0.035) 8.578 6.028 ( 10.729 16.378 -0.712) 19.592 7.643 ( 8.255 6.596 2.140) 10.781 8.130 ( 18.042 4.956 2.873) 18.929 13.661 ( -18.603 -6.688 0.119) 19.769 14.769 ( -21.485 -18.390 -1.296) 28.310 15.051 ( -14.052 -16.633 -0.701) 21.786 17.237 ( -1.035 1.271 -0.145) 1.646 19.630 ( -2.372 0.582 0.411) 2.477 20.867 ( -0.031 -7.779 -1.198) 7.871 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 7.419 12.215 0.295) 14.295 3.060 ( 8.040 7.113 -0.383) 10.741 3.114 ( 13.202 11.969 -0.409) 17.825 3.728 ( 5.583 1.687 -0.688) 5.873 3.840 ( 7.491 4.929 -0.455) 8.979 3.981 ( 6.805 4.056 1.357) 8.038 4.037 ( -3.164 16.426 -0.041) 16.727 5.238 ( -0.575 -2.355 -1.313) 2.757 5.707 ( 4.987 1.505 0.331) 5.219 6.202 ( -4.633 8.166 0.895) 9.431 7.903 ( 15.018 8.297 1.012) 17.188 8.544 ( 20.142 4.728 1.290) 20.730 13.291 ( -17.284 -4.250 0.125) 17.800 14.239 ( -19.319 -15.924 -0.835) 25.050 14.682 ( -11.413 -12.644 -0.074) 17.033 17.237 ( -2.220 4.362 -0.154) 4.897 19.569 ( -2.505 -3.644 0.110) 4.424 20.723 ( -3.707 -12.073 -0.393) 12.636 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 1.070 5.139 -0.368) 5.262 3.160 ( 3.594 6.780 0.210) 7.677 3.488 ( 12.806 8.659 -0.561) 15.469 3.844 ( 5.785 1.980 0.073) 6.115 3.971 ( 3.755 2.009 -0.039) 4.259 4.092 ( 2.263 2.103 0.393) 3.114 4.133 ( -4.829 16.343 -0.022) 17.042 5.246 ( 3.561 -0.274 -1.088) 3.733 5.757 ( 1.450 -4.306 0.653) 4.591 6.118 ( -12.587 10.069 0.630) 16.131 8.274 ( 16.489 6.854 0.114) 17.857 8.873 ( 14.159 0.394 0.916) 14.194 13.002 ( -13.126 -0.254 0.092) 13.129 13.806 ( -12.762 -13.820 -0.306) 18.814 14.415 ( -7.946 -7.034 0.093) 10.613 17.245 ( -3.658 7.302 -0.107) 8.167 19.490 ( -0.460 -6.456 0.243) 6.477 20.538 ( -2.702 -12.221 -0.357) 12.522 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( -0.895 3.700 -0.411) 3.828 3.249 ( 0.132 4.020 0.250) 4.030 3.700 ( 5.034 2.989 -0.642) 5.889 3.946 ( 2.972 0.563 0.902) 3.156 4.020 ( 1.327 0.580 -0.267) 1.472 4.112 ( -1.234 1.255 0.177) 1.769 4.188 ( -6.348 13.878 -0.196) 15.262 5.339 ( 6.801 -1.306 -0.753) 6.966 5.669 ( -4.619 -4.393 0.346) 6.384 6.047 ( -9.356 13.725 0.033) 16.611 8.537 ( 8.173 0.826 -0.128) 8.216 9.035 ( 6.661 -4.118 0.765) 7.868 12.847 ( -7.342 4.739 0.027) 8.739 13.554 ( -1.794 -10.186 0.122) 10.343 14.274 ( -3.215 -1.646 0.111) 3.613 17.253 ( -4.895 9.015 -0.039) 10.259 19.439 ( 2.613 -7.222 0.459) 7.694 20.414 ( 1.742 -9.802 -0.492) 9.968 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( -2.579 2.674 -0.398) 3.736 3.247 ( -3.765 1.857 0.211) 4.204 3.708 ( -4.529 -2.586 -0.356) 5.227 3.927 ( -2.875 -2.739 0.121) 3.973 4.043 ( -0.067 -0.331 0.900) 0.962 4.101 ( -1.193 1.304 -0.450) 1.824 4.185 ( -9.074 12.341 -0.328) 15.321 5.347 ( -1.882 -6.212 -0.409) 6.504 5.652 ( 5.244 1.260 -0.332) 5.403 6.048 ( -7.214 14.987 0.072) 16.633 8.541 ( -4.472 -6.528 0.039) 7.913 9.028 ( -0.513 -8.226 0.452) 8.254 12.846 ( -0.518 8.715 -0.010) 8.731 13.559 ( 10.131 -3.396 0.332) 10.690 14.274 ( 2.998 1.953 0.101) 3.580 17.254 ( -5.279 8.780 -0.002) 10.245 19.442 ( 5.124 -5.735 0.609) 7.714 20.411 ( 7.539 -6.474 -0.593) 9.955 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( -6.193 0.585 -0.481) 6.240 3.159 ( -6.569 1.392 0.223) 6.719 3.494 ( -14.261 -6.898 -0.351) 15.846 3.830 ( -4.068 -3.660 -0.345) 5.483 4.004 ( -3.509 -1.925 1.679) 4.340 4.064 ( -3.463 -2.119 -1.261) 4.252 4.127 ( -11.868 12.841 -0.258) 17.487 5.256 ( -1.557 -2.742 -0.735) 3.238 5.740 ( 3.898 -3.922 0.004) 5.529 6.114 ( -3.071 16.245 0.461) 16.539 8.279 ( -14.337 -11.079 0.362) 18.122 8.852 ( -8.106 -12.363 0.045) 14.784 13.001 ( 6.718 11.345 0.024) 13.185 13.819 ( 18.743 4.064 0.236) 19.180 14.415 ( 10.123 3.433 0.116) 10.690 17.247 ( -4.451 6.805 -0.024) 8.131 19.498 ( 5.828 -2.711 0.617) 6.458 20.533 ( 12.048 -3.775 -0.571) 12.639 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( -14.527 -0.369 -0.129) 14.532 3.062 ( -11.729 -4.141 -0.367) 12.444 3.112 ( -15.933 -4.563 -0.615) 16.585 3.725 ( -3.770 -3.508 -0.417) 5.166 3.886 ( -7.619 -3.596 1.902) 8.637 3.927 ( -7.856 -4.631 -1.568) 9.253 4.035 ( -12.404 10.795 -0.108) 16.444 5.249 ( 2.353 -0.142 -1.049) 2.580 5.701 ( -3.055 -4.134 0.148) 5.142 6.207 ( -3.943 8.986 1.206) 9.886 7.899 ( -15.438 -9.440 0.840) 18.115 8.507 ( -15.364 -15.548 -0.305) 21.861 13.291 ( 12.282 13.012 0.094) 17.893 14.256 ( 23.792 8.536 -0.140) 25.277 14.686 ( 16.882 3.751 0.118) 17.294 17.239 ( -2.681 4.049 -0.092) 4.857 19.577 ( 4.021 0.310 0.446) 4.057 20.723 ( 12.958 -2.632 -0.396) 13.228 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -27.220 -10.550 -0.936) 29.208 2.643 ( -21.142 -0.224 -0.187) 21.144 2.978 ( -6.868 -0.181 -0.252) 6.875 3.596 ( -10.440 -5.705 -1.627) 12.008 3.679 ( -9.220 -3.841 1.476) 10.096 3.726 ( -8.306 -5.085 0.143) 9.740 3.919 ( -11.286 7.494 -0.051) 13.548 5.315 ( 4.537 0.972 -1.453) 4.862 5.570 ( -6.952 -4.499 0.178) 8.282 6.070 ( -17.672 -0.947 1.166) 17.735 7.638 ( -9.070 -3.404 2.068) 9.906 8.053 ( -16.442 -14.493 -0.492) 21.923 13.662 ( 15.097 12.881 0.159) 19.846 14.785 ( 26.971 9.184 -0.641) 28.499 15.063 ( 21.876 4.203 -0.141) 22.276 17.237 ( -0.638 1.487 -0.158) 1.625 19.624 ( -0.562 2.004 0.152) 2.087 20.890 ( 8.737 -3.294 -0.234) 9.340 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -0.000 29.925 2.609) 30.039 1.262 ( -0.000 29.876 0.718) 29.885 2.055 ( -0.000 44.487 -0.584) 44.491 2.622 ( -0.000 5.867 -0.470) 5.886 2.963 ( -0.000 17.627 2.698) 17.832 3.645 ( -0.000 2.020 0.168) 2.027 3.664 ( 0.000 -3.558 -2.052) 4.107 4.623 ( 0.000 25.344 -7.678) 26.481 5.178 ( -0.000 6.338 -0.030) 6.338 5.455 ( 0.000 6.118 -1.547) 6.311 6.349 ( -0.000 23.188 4.310) 23.585 8.313 ( -0.000 -11.720 5.866) 13.106 14.544 ( 0.000 -13.685 0.055) 13.686 16.184 ( 0.000 -18.339 -12.349) 22.110 16.373 ( 0.000 -33.184 -0.234) 33.185 17.301 ( 0.000 -1.438 -0.121) 1.443 19.088 ( -0.000 26.261 1.178) 26.287 20.270 ( 0.000 36.400 -19.987) 41.526 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 9.780 30.561 1.684) 32.131 1.725 ( 16.059 26.830 0.576) 31.274 2.550 ( 9.748 34.968 -1.448) 36.330 2.711 ( 3.111 6.979 -0.510) 7.658 3.186 ( 4.718 16.378 3.437) 17.387 3.616 ( -1.188 -1.494 -1.752) 2.591 3.710 ( 3.822 4.031 0.138) 5.556 4.898 ( 4.261 24.083 -5.237) 25.011 5.346 ( 9.184 8.495 -0.779) 12.535 5.469 ( -1.330 1.193 -1.608) 2.404 6.689 ( 7.655 28.173 3.689) 29.427 8.171 ( -3.826 -11.555 5.985) 13.564 14.381 ( -2.452 -14.677 0.064) 14.880 15.886 ( -9.656 -21.376 -5.767) 24.154 15.957 ( -9.336 -29.677 -1.968) 31.173 17.264 ( -1.673 -1.240 -0.053) 2.084 19.426 ( 11.195 11.985 4.144) 16.915 20.571 ( 2.285 25.574 -12.809) 28.694 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 16.700 27.432 0.838) 32.126 2.255 ( 14.462 24.151 0.459) 28.153 2.832 ( 4.132 7.264 -0.546) 8.375 3.061 ( 13.760 23.001 -2.184) 26.892 3.445 ( 7.047 12.947 3.713) 15.201 3.599 ( 0.397 0.536 -1.383) 1.535 3.856 ( 5.356 9.060 0.139) 10.526 5.202 ( 8.244 14.738 -2.260) 17.038 5.400 ( -1.628 -3.423 -1.493) 4.074 5.670 ( 9.776 18.982 -1.533) 21.406 7.151 ( 13.831 24.255 2.359) 28.021 8.000 ( -4.465 -9.286 5.733) 11.791 14.162 ( -7.462 -12.589 0.056) 14.634 15.407 ( -14.788 -25.710 -1.488) 29.697 15.519 ( -12.426 -22.087 -2.838) 25.500 17.238 ( -0.146 -0.513 -0.023) 0.533 19.651 ( 4.207 4.882 2.288) 6.838 20.766 ( 2.523 7.460 -5.413) 9.556 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 18.453 22.774 0.114) 29.312 2.686 ( 9.763 20.107 0.395) 22.355 2.973 ( 3.899 7.270 -0.494) 8.264 3.458 ( 11.357 12.964 -2.432) 17.406 3.630 ( 2.471 3.500 -0.227) 4.291 3.700 ( 7.971 8.446 2.700) 11.924 4.066 ( 3.768 16.565 0.014) 16.989 5.299 ( -1.976 -4.116 -1.348) 4.760 5.467 ( 7.841 5.320 -0.383) 9.484 6.055 ( 9.808 22.107 -1.124) 24.211 7.596 ( 10.242 15.704 1.759) 18.831 7.923 ( 6.150 -3.462 4.071) 8.147 13.871 ( -13.204 -9.875 0.011) 16.488 14.909 ( -16.475 -19.650 -1.219) 25.671 15.072 ( -12.178 -22.311 -1.012) 25.438 17.251 ( 0.960 1.668 -0.058) 1.926 19.691 ( -2.518 0.670 0.481) 2.650 20.774 ( -0.390 -7.556 -1.572) 7.728 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 15.400 15.759 -0.420) 22.038 3.005 ( 7.370 16.086 0.433) 17.699 3.105 ( 3.182 7.572 -0.470) 8.227 3.666 ( 4.662 3.910 -1.186) 6.199 3.769 ( 6.980 6.702 -0.476) 9.689 3.905 ( 6.873 5.002 1.817) 8.693 4.297 ( -1.124 23.956 -0.135) 23.983 5.224 ( -1.414 -3.264 -1.257) 3.773 5.613 ( 6.293 -0.660 0.475) 6.345 6.367 ( 1.497 17.746 0.089) 17.809 7.795 ( 6.077 8.195 1.907) 10.379 8.217 ( 20.951 2.488 1.308) 21.139 13.529 ( -15.375 -7.833 -0.014) 17.256 14.419 ( -20.133 -15.637 -0.765) 25.504 14.698 ( -7.519 -17.326 -0.207) 18.888 17.303 ( 0.887 5.543 -0.097) 5.614 19.601 ( -5.497 -3.999 -0.077) 6.799 20.622 ( -2.305 -16.069 -0.371) 16.238 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 3.792 8.773 -0.111) 9.558 3.197 ( 1.330 7.971 -0.154) 8.083 3.365 ( 12.449 11.859 -0.390) 17.197 3.778 ( 4.870 3.168 -0.250) 5.815 3.923 ( 4.682 3.359 -0.104) 5.763 4.038 ( 4.452 1.483 0.677) 4.741 4.479 ( -7.404 26.530 -0.191) 27.545 5.196 ( 1.166 -0.982 -1.026) 1.838 5.678 ( 3.933 -3.949 0.747) 5.623 6.452 ( -9.820 16.307 0.528) 19.043 8.064 ( 14.402 7.072 0.595) 16.055 8.574 ( 18.849 -2.136 0.813) 18.987 13.218 ( -12.569 -4.451 0.043) 13.334 13.921 ( -18.354 -15.740 -0.258) 24.180 14.462 ( -5.828 -7.552 -0.016) 9.539 17.385 ( -0.904 10.496 -0.111) 10.535 19.445 ( -4.319 -8.877 0.050) 9.872 20.408 ( -1.203 -19.062 -0.252) 19.102 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( -1.016 6.263 -0.395) 6.357 3.302 ( 0.347 6.907 0.205) 6.919 3.629 ( 7.646 5.631 -0.493) 9.509 3.890 ( 4.651 1.859 0.395) 5.024 3.999 ( 2.007 0.947 0.050) 2.219 4.092 ( 1.664 -1.012 0.093) 1.950 4.564 ( -11.506 24.088 -0.213) 26.696 5.233 ( 3.613 -0.779 -0.731) 3.767 5.683 ( -0.134 -1.303 0.490) 1.399 6.414 ( -13.337 18.403 0.172) 22.729 8.359 ( 12.876 1.418 0.017) 12.954 8.807 ( 13.089 -7.151 0.746) 14.934 13.031 ( -7.329 1.881 0.109) 7.567 13.511 ( -9.893 -15.333 0.069) 18.248 14.335 ( -4.812 0.151 0.021) 4.814 17.467 ( -4.617 14.713 -0.103) 15.421 19.302 ( 0.628 -12.302 0.366) 12.324 20.230 ( 2.853 -18.197 -0.422) 18.424 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( -2.994 5.307 -0.398) 6.106 3.339 ( -2.863 4.876 0.228) 5.660 3.729 ( 0.423 0.123 -0.443) 0.625 3.937 ( -0.259 -1.792 0.672) 1.931 4.034 ( 1.281 0.707 -0.034) 1.464 4.089 ( 0.310 -1.975 0.006) 1.999 4.579 ( -13.008 22.147 -0.299) 25.686 5.271 ( 3.030 -4.160 -0.418) 5.163 5.663 ( -2.882 3.309 -0.066) 4.388 6.389 ( -11.562 20.139 0.006) 23.222 8.486 ( 3.563 -5.791 -0.088) 6.800 8.881 ( 6.093 -11.460 0.657) 12.996 12.987 ( -4.466 7.703 0.106) 8.905 13.335 ( 6.383 -10.765 0.268) 12.518 14.295 ( -2.402 4.136 0.013) 4.783 17.503 ( -8.773 15.266 -0.090) 17.608 19.246 ( 6.923 -11.611 0.599) 13.532 20.160 ( 8.676 -15.224 -0.569) 17.532 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( -4.905 3.963 -0.446) 6.322 3.302 ( -6.184 3.312 0.255) 7.020 3.639 ( -8.541 -3.855 -0.292) 9.375 3.870 ( -3.880 -2.812 -0.015) 4.792 4.031 ( -1.443 -1.312 1.310) 2.350 4.071 ( -0.666 -2.236 -0.944) 2.517 4.557 ( -15.196 21.864 -0.395) 26.629 5.249 ( -0.712 -3.118 -0.344) 3.217 5.657 ( 0.530 -0.680 -0.149) 0.875 6.416 ( -9.319 20.714 0.200) 22.715 8.364 ( -7.578 -10.599 0.134) 13.030 8.793 ( -1.066 -15.178 0.376) 15.220 13.032 ( 1.998 7.503 0.130) 7.765 13.516 ( 18.544 0.665 0.216) 18.558 14.335 ( 2.319 4.267 0.021) 4.856 17.468 ( -10.351 11.308 -0.080) 15.330 19.311 ( 10.504 -6.397 0.623) 12.314 20.224 ( 14.281 -11.705 -0.583) 18.474 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( -9.553 1.411 -0.367) 9.664 3.207 ( -7.548 2.895 0.112) 8.085 3.368 ( -16.949 -5.073 -0.453) 17.697 3.769 ( -4.516 -2.252 -0.183) 5.050 3.966 ( -4.478 -2.303 1.907) 5.384 3.993 ( -4.972 -3.510 -1.490) 6.266 4.471 ( -19.123 19.669 -0.398) 27.435 5.216 ( 0.240 -0.971 -0.660) 1.198 5.653 ( 1.976 -5.494 0.228) 5.843 6.455 ( -9.058 16.848 0.616) 19.138 8.063 ( -13.825 -9.571 0.561) 16.825 8.547 ( -8.432 -17.537 0.090) 19.459 13.221 ( 10.054 8.941 0.122) 13.455 13.929 ( 23.198 7.567 -0.046) 24.401 14.465 ( 9.653 1.407 0.057) 9.755 17.386 ( -8.595 5.952 -0.086) 10.455 19.459 ( 9.696 -0.494 0.426) 9.718 20.401 ( 17.398 -8.536 -0.443) 19.384 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -21.680 -4.938 -0.722) 22.247 2.994 ( -18.185 1.584 0.155) 18.255 3.112 ( -7.903 1.205 -0.314) 8.000 3.673 ( -4.614 -1.515 -0.471) 4.879 3.820 ( -10.126 -3.386 -0.743) 10.703 3.838 ( -8.095 -3.225 1.455) 8.834 4.291 ( -19.988 13.011 -0.268) 23.851 5.245 ( 3.560 0.119 -1.126) 3.735 5.601 ( -1.821 -5.790 0.420) 6.084 6.385 ( -14.965 7.542 0.642) 16.771 7.781 ( -10.423 -1.753 1.606) 10.691 8.168 ( -14.697 -17.120 -0.053) 22.563 13.532 ( 14.344 9.557 0.086) 17.236 14.428 ( 24.093 9.167 -0.525) 25.784 14.707 ( 19.136 -1.877 0.052) 19.228 17.303 ( -5.255 1.963 -0.094) 5.611 19.609 ( 5.534 2.703 0.148) 6.160 20.625 ( 16.078 -5.902 -0.301) 17.130 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -0.000 32.292 1.160) 32.312 1.833 ( -0.000 26.946 0.667) 26.955 2.748 ( -0.000 6.719 -0.493) 6.737 2.825 ( -0.000 33.078 -1.805) 33.128 3.325 ( -0.000 16.674 3.474) 17.032 3.622 ( 0.000 0.204 -1.675) 1.687 3.695 ( -0.000 2.841 0.203) 2.848 5.140 ( 0.000 27.360 -4.564) 27.738 5.323 ( -0.000 8.015 -0.066) 8.016 5.475 ( 0.000 -0.052 -1.798) 1.799 6.952 ( -0.000 32.402 3.033) 32.544 8.100 ( -0.000 -11.151 5.941) 12.635 14.222 ( 0.000 -18.326 0.093) 18.326 15.717 ( 0.000 -30.724 -1.757) 30.774 15.758 ( 0.000 -21.999 -4.210) 22.398 17.268 ( 0.000 -1.729 -0.136) 1.734 19.448 ( -0.000 11.005 3.023) 11.412 20.771 ( 0.000 18.602 -8.523) 20.462 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 6.835 31.053 0.835) 31.807 2.229 ( 13.630 23.298 0.532) 26.997 2.840 ( 2.868 6.838 -0.496) 7.432 3.155 ( 4.169 25.395 -2.144) 25.824 3.509 ( 2.502 13.908 3.247) 14.500 3.614 ( -1.025 2.107 -1.169) 2.618 3.805 ( 7.717 5.351 0.122) 9.391 5.307 ( -1.240 11.817 -1.485) 11.974 5.395 ( -0.994 1.588 -1.128) 2.187 5.655 ( 11.194 19.477 -2.137) 22.566 7.293 ( 2.977 28.775 2.035) 29.000 7.991 ( -2.947 -7.226 5.620) 9.617 14.048 ( 1.029 -18.437 0.079) 18.466 15.330 ( -8.241 -29.347 -1.465) 30.517 15.472 ( -7.409 -21.420 -2.384) 22.791 17.243 ( -0.648 -0.791 -0.085) 1.026 19.598 ( 5.682 4.426 1.847) 7.435 20.861 ( -3.594 7.512 -4.423) 9.429 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 11.458 26.940 0.303) 29.277 2.682 ( 13.019 18.451 0.454) 22.586 2.972 ( 4.353 6.959 -0.476) 8.222 3.450 ( 5.944 16.202 -2.244) 17.403 3.637 ( 1.092 4.064 -0.853) 4.293 3.700 ( 3.905 11.014 3.063) 12.081 4.063 ( 12.576 11.300 0.065) 16.907 5.290 ( -1.897 -3.941 -1.029) 4.493 5.469 ( 0.468 9.510 -0.524) 9.536 6.069 ( 12.717 20.278 -1.352) 23.974 7.627 ( 7.448 19.548 1.111) 20.948 7.898 ( -4.569 0.449 4.641) 6.528 13.873 ( -2.151 -16.288 -0.020) 16.429 14.900 ( -8.531 -24.349 -1.101) 25.824 15.076 ( -13.211 -21.202 -1.050) 25.003 17.249 ( 1.122 1.621 -0.037) 1.972 19.689 ( 2.238 -1.518 0.507) 2.751 20.777 ( -7.038 -4.289 -1.611) 8.398 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 12.115 20.230 -0.238) 23.581 3.028 ( 8.468 14.501 0.455) 16.799 3.117 ( 4.170 7.139 -0.451) 8.280 3.639 ( 3.648 5.839 -1.304) 7.007 3.744 ( 4.252 8.431 -0.745) 9.472 3.868 ( 4.317 6.804 2.117) 8.332 4.447 ( 12.253 20.578 -0.026) 23.950 5.217 ( -1.706 -3.155 -1.006) 3.726 5.537 ( 0.842 1.461 0.301) 1.713 6.458 ( 9.633 17.866 -0.444) 20.302 7.879 ( -1.769 6.421 3.046) 7.324 7.945 ( 11.643 10.410 0.549) 15.627 13.627 ( -8.557 -14.556 -0.167) 16.886 14.593 ( -2.876 -20.666 -0.370) 20.869 14.601 ( -17.707 -15.003 -0.533) 23.215 17.319 ( 3.098 5.255 -0.028) 6.100 19.642 ( -3.482 -5.641 -0.273) 6.635 20.546 ( -8.054 -14.159 -0.279) 16.292 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( 7.141 11.381 -0.268) 13.438 3.244 ( 2.590 7.620 -0.227) 8.051 3.309 ( 8.610 13.042 -0.005) 15.628 3.740 ( 3.407 3.839 -0.356) 5.145 3.888 ( 3.858 5.176 -0.361) 6.466 3.987 ( 3.585 2.745 0.927) 4.610 4.823 ( 1.626 25.808 -0.321) 25.861 5.187 ( 0.040 1.909 -0.666) 2.022 5.546 ( 4.147 -5.873 0.654) 7.219 6.725 ( 0.300 17.600 0.181) 17.603 7.981 ( 3.808 9.326 1.298) 10.157 8.237 ( 16.061 -0.688 0.481) 16.083 13.322 ( -9.723 -12.444 -0.131) 15.792 14.086 ( -18.469 -19.687 -0.037) 26.994 14.467 ( -1.596 -3.567 -0.173) 3.911 17.459 ( 4.097 10.121 -0.037) 10.919 19.468 ( -7.559 -9.013 -0.351) 11.769 20.248 ( -5.348 -20.776 0.025) 21.453 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( 0.336 7.567 -0.396) 7.585 3.360 ( 2.051 7.833 0.163) 8.099 3.562 ( 7.443 7.877 -0.279) 10.840 3.835 ( 3.888 2.160 0.095) 4.448 3.975 ( 2.266 2.047 0.166) 3.058 4.051 ( 2.181 -0.130 0.072) 2.186 4.963 ( -7.085 15.989 -0.604) 17.499 5.224 ( -2.673 5.109 -0.058) 5.766 5.637 ( 7.672 4.010 0.305) 8.662 6.824 ( -9.799 20.023 0.242) 22.294 8.171 ( 9.525 3.029 0.298) 10.000 8.473 ( 15.675 -8.018 0.558) 17.615 13.089 ( -4.349 -8.032 0.034) 9.134 13.597 ( -16.216 -16.917 0.129) 23.434 14.438 ( -3.289 5.098 -0.062) 6.068 17.649 ( 2.261 15.878 -0.076) 16.038 19.225 ( -6.994 -12.725 0.042) 14.520 19.980 ( 0.614 -23.394 -0.190) 23.403 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( -2.275 6.631 -0.354) 7.019 3.438 ( -1.546 6.608 0.207) 6.789 3.704 ( 3.191 2.090 -0.287) 3.825 3.901 ( 2.502 -1.179 0.405) 2.795 4.020 ( 1.365 1.213 0.004) 1.826 4.064 ( 0.488 -1.571 0.040) 1.645 4.972 ( -8.357 14.319 -0.383) 16.583 5.201 ( 0.042 -2.348 -0.264) 2.363 5.799 ( -2.358 14.335 0.067) 14.527 6.823 ( -13.434 21.931 0.053) 25.718 8.322 ( 8.058 -5.155 -0.055) 9.565 8.604 ( 11.324 -13.139 0.625) 17.356 13.038 ( 4.430 -1.666 0.159) 4.735 13.223 ( -9.122 -12.802 0.209) 15.720 14.439 ( -5.403 9.651 -0.057) 11.061 17.813 ( -5.285 19.640 -0.171) 20.340 19.025 ( 1.452 -14.749 0.505) 14.829 19.823 ( 7.949 -22.138 -0.456) 23.526 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( -4.545 5.357 -0.378) 7.036 3.438 ( -4.925 4.697 0.244) 6.810 3.709 ( -2.951 -1.687 -0.249) 3.408 3.890 ( -1.199 -2.772 0.298) 3.035 4.040 ( -0.649 -0.524 0.614) 1.036 4.049 ( 0.548 -1.362 -0.496) 1.550 4.968 ( -8.575 14.462 -0.426) 16.819 5.206 ( 2.785 -1.398 -0.207) 3.122 5.791 ( -12.207 9.355 -0.031) 15.379 6.823 ( -12.249 22.551 0.057) 25.664 8.323 ( 0.584 -9.651 -0.046) 9.669 8.598 ( 5.019 -16.645 0.549) 17.394 13.041 ( -0.749 -4.542 0.193) 4.607 13.222 ( 15.767 1.328 0.199) 15.824 14.439 ( -5.655 9.501 -0.061) 11.057 17.812 ( -14.327 14.266 -0.182) 20.219 19.033 ( 12.476 -8.113 0.615) 14.895 19.818 ( 14.962 -18.211 -0.524) 23.575 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( -7.090 3.358 -0.447) 7.858 3.367 ( -7.329 2.596 0.261) 7.779 3.568 ( -10.583 -2.761 -0.284) 10.941 3.822 ( -3.610 -1.854 0.094) 4.060 4.003 ( -2.110 -1.922 0.950) 3.008 4.026 ( -2.138 -1.382 -0.727) 2.647 4.956 ( -10.620 15.022 -0.676) 18.409 5.242 ( -1.679 4.009 0.130) 4.348 5.614 ( -8.502 -4.078 0.039) 9.429 6.824 ( -12.384 18.420 0.257) 22.197 8.169 ( -7.646 -7.313 0.270) 10.584 8.456 ( -1.529 -17.562 0.334) 17.631 13.094 ( 9.212 -0.205 0.100) 9.214 13.597 ( 22.890 5.334 0.128) 23.504 14.439 ( -2.628 5.446 -0.054) 6.047 17.648 ( -14.768 5.892 -0.089) 15.900 19.244 ( 14.546 0.070 0.289) 14.549 19.969 ( 19.994 -12.438 -0.341) 23.549 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( -12.845 0.196 -0.334) 12.851 3.256 ( -7.834 1.510 -0.079) 7.979 3.305 ( -16.478 -1.154 -0.177) 16.520 3.740 ( -4.353 -0.660 -0.040) 4.403 3.923 ( -5.419 -2.207 -0.664) 5.889 3.946 ( -5.801 -0.646 1.035) 5.928 4.819 ( -23.237 12.264 -0.385) 26.278 5.212 ( -1.526 0.732 -0.623) 1.804 5.523 ( 3.461 -6.319 0.597) 7.230 6.728 ( -14.984 8.274 0.265) 17.119 7.962 ( -10.802 -0.030 1.088) 10.856 8.213 ( -8.269 -13.326 0.138) 15.683 13.328 ( 15.657 2.142 -0.048) 15.803 14.086 ( 26.447 5.923 -0.033) 27.103 14.473 ( 4.300 -0.322 -0.108) 4.314 17.459 ( -10.766 1.516 -0.041) 10.872 19.485 ( 11.278 1.871 -0.136) 11.433 20.240 ( 21.093 -5.578 -0.074) 21.818 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -0.000 30.915 0.698) 30.923 2.333 ( -0.000 22.723 0.640) 22.732 2.877 ( -0.000 6.314 -0.455) 6.330 3.359 ( -0.000 21.632 -2.116) 21.735 3.611 ( -0.000 8.234 0.842) 8.276 3.682 ( -0.000 8.787 0.919) 8.835 3.759 ( -0.000 3.414 0.235) 3.422 5.329 ( 0.000 -3.318 -0.877) 3.432 5.488 ( -0.000 8.341 -0.106) 8.341 5.778 ( -0.000 25.725 -2.633) 25.859 7.537 ( -0.000 20.853 1.456) 20.904 8.005 ( -0.000 4.196 5.031) 6.551 13.832 ( 0.000 -20.436 0.112) 20.436 15.101 ( 0.000 -29.738 -1.404) 29.771 15.321 ( 0.000 -21.142 -1.453) 21.192 17.233 ( 0.000 -1.687 -0.130) 1.692 19.594 ( -0.000 3.379 1.169) 3.576 20.944 ( 0.000 1.959 -2.721) 3.353 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 4.501 28.432 0.484) 28.790 2.649 ( 10.482 18.524 0.532) 21.291 2.967 ( 3.284 6.014 -0.410) 6.865 3.545 ( 0.763 13.804 -1.899) 13.955 3.677 ( 0.299 7.109 -0.831) 7.163 3.780 ( 0.756 10.600 2.583) 10.936 3.920 ( 11.695 6.016 0.094) 13.152 5.276 ( -1.286 -4.032 -0.748) 4.298 5.573 ( -0.196 8.571 -0.097) 8.574 6.067 ( 7.740 17.711 -1.373) 19.377 7.694 ( 1.554 9.307 1.397) 9.539 8.098 ( -4.483 18.708 3.387) 19.534 13.665 ( 3.491 -19.526 0.064) 19.835 14.757 ( -5.385 -27.459 -1.131) 28.005 15.050 ( -7.063 -19.981 -0.706) 21.205 17.233 ( 1.707 -0.196 -0.093) 1.721 19.633 ( 1.746 -0.972 0.388) 2.036 20.867 ( -6.945 -4.629 -1.207) 8.433 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 6.558 21.186 0.030) 22.178 3.004 ( 10.476 14.806 0.468) 18.143 3.101 ( 5.018 6.207 -0.369) 7.990 3.653 ( 1.504 6.231 -0.954) 6.480 3.785 ( 1.673 9.923 -1.172) 10.131 3.900 ( 1.301 7.823 2.194) 8.228 4.288 ( 21.261 10.712 0.085) 23.807 5.213 ( -1.524 -2.803 -0.774) 3.283 5.614 ( -3.700 5.014 0.342) 6.241 6.387 ( 13.591 10.307 -0.497) 17.064 7.825 ( 3.904 8.103 1.146) 9.068 8.196 ( -8.027 20.395 1.847) 21.995 13.532 ( 0.834 -17.199 -0.101) 17.219 14.411 ( -3.517 -24.793 -0.549) 25.048 14.703 ( -11.208 -15.279 -0.351) 18.952 17.301 ( 4.432 3.544 -0.044) 5.675 19.607 ( -0.900 -6.310 -0.251) 6.379 20.617 ( -12.719 -10.440 -0.229) 16.457 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 6.678 11.600 -0.022) 13.385 3.248 ( 4.981 6.177 -0.421) 7.946 3.305 ( 7.412 14.046 0.209) 15.884 3.736 ( 1.963 4.782 -0.235) 5.174 3.897 ( 1.745 6.551 -0.873) 6.836 3.983 ( 1.076 3.997 1.259) 4.326 4.813 ( 21.774 13.655 0.067) 25.702 5.190 ( 2.022 1.653 -0.747) 2.716 5.544 ( -7.089 0.270 0.724) 7.131 6.731 ( 14.476 9.204 -0.102) 17.154 7.993 ( 5.765 7.565 0.808) 9.546 8.228 ( -8.217 13.945 0.830) 16.207 13.324 ( -6.094 -14.527 -0.213) 15.755 14.085 ( -7.671 -25.645 -0.011) 26.768 14.468 ( -2.467 -3.262 -0.205) 4.095 17.458 ( 6.782 8.562 0.001) 10.923 19.474 ( -4.478 -10.655 -0.581) 11.572 20.243 ( -14.961 -15.357 0.236) 21.441 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( 5.134 6.996 0.173) 8.680 3.382 ( 3.031 7.109 -0.433) 7.740 3.536 ( 5.468 9.284 -0.056) 10.775 3.809 ( 1.821 2.928 0.068) 3.449 3.970 ( 1.280 3.197 -0.109) 3.445 4.026 ( 0.995 1.055 0.235) 1.470 5.059 ( 1.463 1.640 -0.556) 2.267 5.397 ( -4.511 -6.210 0.603) 7.699 5.519 ( 14.797 24.212 -0.080) 28.376 7.040 ( 7.428 13.190 0.073) 15.138 8.150 ( 2.858 5.724 0.649) 6.431 8.214 ( 0.293 -0.138 0.180) 0.370 13.080 ( -6.148 -10.438 -0.098) 12.114 13.660 ( -12.564 -21.646 0.105) 25.028 14.502 ( 2.922 5.009 -0.054) 5.799 17.703 ( 8.267 14.188 0.029) 16.421 19.250 ( -7.692 -12.505 -0.526) 14.691 19.828 ( -11.384 -20.409 0.271) 23.371 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( 0.291 6.272 -0.294) 6.285 3.507 ( 1.777 6.768 0.176) 7.000 3.673 ( 3.155 3.459 -0.105) 4.683 3.849 ( 1.575 -1.003 0.108) 1.870 4.013 ( 1.033 1.719 0.417) 2.049 4.043 ( 0.671 -0.308 -0.323) 0.806 5.085 ( 0.783 1.971 -0.496) 2.178 5.252 ( -5.722 -3.320 0.278) 6.622 5.979 ( 6.909 24.795 -0.078) 25.739 7.220 ( -5.339 18.839 0.084) 19.581 8.169 ( 2.005 -3.857 0.008) 4.347 8.283 ( 9.695 -10.081 0.453) 13.994 12.942 ( 0.133 -5.646 0.052) 5.648 13.267 ( -10.513 -15.465 0.141) 18.701 14.608 ( -0.536 10.055 -0.034) 10.070 18.009 ( 6.426 20.147 -0.049) 21.147 18.969 ( -9.835 -12.168 0.033) 15.646 19.493 ( 0.078 -25.022 -0.116) 25.022 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( -3.002 5.425 -0.310) 6.208 3.560 ( -2.925 5.091 0.256) 5.877 3.717 ( 0.228 -0.332 -0.121) 0.421 3.853 ( 1.736 -3.378 0.136) 3.800 4.034 ( 0.098 -0.530 0.180) 0.568 4.047 ( -0.013 0.518 -0.088) 0.526 5.133 ( -0.108 3.741 -0.157) 3.745 5.150 ( -0.893 -2.073 -0.206) 2.266 6.176 ( -11.043 19.136 -0.057) 22.094 7.257 ( -11.878 20.491 0.022) 23.684 8.170 ( 5.077 -8.969 -0.097) 10.307 8.314 ( 8.474 -15.179 0.487) 17.390 12.960 ( 3.458 -5.630 0.135) 6.609 13.049 ( 2.185 -4.221 0.129) 4.754 14.657 ( -5.875 10.159 -0.042) 11.735 18.215 ( -11.436 19.200 -0.319) 22.350 18.777 ( 5.603 -8.108 0.642) 9.877 19.362 ( 13.048 -23.322 -0.417) 26.727 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( -5.630 3.221 -0.381) 6.497 3.509 ( -6.537 1.691 0.260) 6.757 3.675 ( -4.326 -1.141 -0.128) 4.476 3.842 ( -0.323 -1.668 0.193) 1.710 4.015 ( -1.124 -1.020 0.147) 1.525 4.043 ( -0.856 -0.005 -0.106) 0.863 5.096 ( -2.002 1.005 -0.518) 2.300 5.239 ( 5.627 2.713 0.300) 6.254 5.979 ( -25.148 6.817 -0.079) 26.056 7.219 ( -13.657 13.952 0.091) 19.524 8.164 ( 2.232 -4.070 0.005) 4.642 8.275 ( 3.351 -13.435 0.449) 13.854 12.945 ( 4.933 -3.069 0.054) 5.810 13.264 ( 18.618 1.264 0.140) 18.661 14.608 ( -8.412 5.529 -0.034) 10.066 18.005 ( -20.466 4.488 -0.050) 20.952 18.990 ( 15.567 2.847 0.050) 15.825 19.480 ( 21.527 -12.891 -0.132) 25.092 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( -8.970 0.592 -0.159) 8.991 3.389 ( -7.040 -0.572 -0.114) 7.064 3.539 ( -10.855 0.095 -0.140) 10.856 3.804 ( -3.165 0.093 0.241) 3.176 3.975 ( -2.676 -0.597 -0.276) 2.756 4.017 ( -2.505 0.450 0.341) 2.568 5.078 ( -2.001 0.506 -0.668) 2.169 5.376 ( 7.332 -0.758 0.699) 7.404 5.521 ( -28.218 0.615 -0.074) 28.225 7.038 ( -15.134 -0.162 0.090) 15.135 8.130 ( -7.209 -0.324 0.621) 7.243 8.209 ( -0.124 0.258 0.188) 0.342 13.084 ( 12.266 -0.105 -0.094) 12.267 13.657 ( 25.093 -0.057 0.104) 25.093 14.504 ( -5.653 0.026 -0.056) 5.654 17.702 ( -16.338 0.064 0.028) 16.338 19.266 ( 14.608 -0.421 -0.530) 14.624 19.820 ( 23.496 0.358 0.276) 23.500 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -0.000 17.328 0.531) 17.336 2.795 ( -0.000 27.226 0.499) 27.230 2.990 ( -0.000 5.146 -0.326) 5.157 3.659 ( 0.000 8.783 -1.169) 8.860 3.762 ( 0.000 10.437 -1.171) 10.503 3.831 ( -0.000 3.710 0.249) 3.718 3.897 ( -0.000 9.245 2.092) 9.478 5.250 ( 0.000 -3.237 -0.460) 3.269 5.646 ( -0.000 7.377 -0.127) 7.378 6.136 ( -0.000 8.051 -0.584) 8.072 7.786 ( -0.000 11.785 0.997) 11.827 8.363 ( -0.000 22.970 2.292) 23.084 13.430 ( 0.000 -19.492 0.114) 19.492 14.532 ( 0.000 -26.561 -1.040) 26.581 14.913 ( 0.000 -19.115 -0.354) 19.118 17.202 ( 0.000 -1.379 -0.111) 1.384 19.615 ( -0.000 -0.914 0.106) 0.920 20.872 ( 0.000 -7.311 -0.615) 7.337 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 6.596 12.875 0.401) 14.472 3.051 ( 2.616 12.099 -0.079) 12.379 3.097 ( 4.073 16.008 0.086) 16.518 3.708 ( -0.944 6.138 -0.459) 6.227 3.866 ( 0.279 9.508 -1.447) 9.622 3.967 ( 1.938 7.166 2.028) 7.695 4.036 ( 13.761 5.302 0.111) 14.748 5.213 ( -1.184 -1.580 -0.418) 2.018 5.709 ( -1.276 5.069 0.196) 5.231 6.235 ( 8.839 -0.526 -0.069) 8.855 7.927 ( -0.357 16.152 0.367) 16.161 8.536 ( -5.922 20.568 1.530) 21.458 13.294 ( 5.029 -17.184 0.053) 17.905 14.236 ( -4.256 -24.158 -0.724) 24.541 14.685 ( -5.195 -16.132 -0.167) 16.948 17.234 ( 4.893 0.347 -0.084) 4.906 19.582 ( -2.009 -3.629 -0.230) 4.154 20.712 ( -8.556 -9.632 -0.092) 12.883 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 5.575 7.170 0.323) 9.088 3.202 ( 6.506 5.707 -0.337) 8.661 3.357 ( 4.307 16.909 0.015) 17.449 3.767 ( 0.606 5.889 0.053) 5.921 3.946 ( 0.137 6.225 -1.347) 6.370 4.027 ( -0.721 4.192 1.474) 4.502 4.468 ( 26.503 6.783 0.276) 27.358 5.187 ( -0.709 0.665 -0.556) 1.120 5.676 ( -5.493 1.198 0.754) 5.672 6.467 ( 18.610 -0.798 -0.107) 18.627 8.077 ( -1.182 15.455 0.045) 15.500 8.571 ( -11.227 15.843 0.935) 19.441 13.222 ( 2.492 -13.090 -0.102) 13.326 13.921 ( -4.481 -23.404 -0.276) 23.830 14.464 ( -3.765 -8.923 -0.097) 9.686 17.383 ( 9.531 4.469 -0.032) 10.527 19.458 ( -5.711 -7.894 -0.486) 9.755 20.396 ( -15.763 -10.835 0.244) 19.129 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( 6.439 4.268 0.173) 7.726 3.366 ( 5.824 5.504 -0.253) 8.017 3.559 ( 3.189 10.407 -0.079) 10.885 3.831 ( 0.212 4.577 0.289) 4.591 3.990 ( 0.111 3.157 -0.920) 3.290 4.042 ( -0.977 1.687 0.775) 2.098 4.948 ( 17.254 1.915 0.338) 17.363 5.231 ( 6.329 -0.066 -0.551) 6.353 5.631 ( -0.311 8.680 0.675) 8.712 6.829 ( 22.035 1.355 -0.071) 22.077 8.175 ( -2.304 9.443 0.010) 9.720 8.474 ( -14.747 10.009 0.453) 17.828 13.092 ( -4.877 -7.697 -0.174) 9.114 13.599 ( -6.580 -22.387 -0.024) 23.334 14.437 ( 6.020 -0.342 -0.011) 6.030 17.647 ( 12.628 9.810 0.050) 15.991 19.236 ( -7.771 -12.120 -0.624) 14.411 19.971 ( -20.348 -11.384 0.402) 23.320 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.470 ( 5.475 3.352 0.071) 6.420 3.511 ( 4.834 4.960 -0.154) 6.928 3.672 ( 1.491 4.412 0.011) 4.657 3.849 ( -1.631 0.953 0.085) 1.891 4.019 ( 0.637 1.903 -0.056) 2.008 4.039 ( -0.412 0.291 0.002) 0.505 5.081 ( 1.712 1.667 -0.115) 2.393 5.252 ( -0.106 -6.815 0.250) 6.821 5.978 ( 18.123 18.397 0.034) 25.824 7.221 ( 18.901 4.763 -0.003) 19.492 8.167 ( -4.490 -0.283 0.130) 4.501 8.287 ( -13.603 3.586 0.060) 14.068 12.944 ( -5.086 -2.634 -0.091) 5.729 13.268 ( -8.227 -16.793 0.026) 18.700 14.607 ( 9.021 4.545 0.016) 10.101 18.007 ( 14.340 15.454 0.144) 21.083 18.976 ( -6.021 -14.184 -0.643) 15.423 19.487 ( -21.394 -12.703 0.419) 24.884 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.573 ( 2.174 3.406 -0.076) 4.042 3.612 ( 1.318 2.678 0.051) 2.985 3.718 ( 1.231 2.012 0.020) 2.359 3.801 ( -1.862 -3.166 -0.016) 3.673 4.033 ( -0.194 -0.085 0.190) 0.285 4.049 ( 0.613 0.873 -0.167) 1.080 5.118 ( 1.071 1.824 -0.138) 2.120 5.176 ( -1.824 -3.326 0.112) 3.795 6.395 ( 7.618 13.126 -0.032) 15.177 7.521 ( 5.363 9.305 0.013) 10.740 8.050 ( -2.274 -4.177 0.018) 4.756 8.119 ( -4.076 -6.591 0.079) 7.750 12.894 ( 0.554 1.053 -0.000) 1.190 13.014 ( -5.366 -9.235 0.034) 10.681 14.769 ( 2.790 4.811 -0.002) 5.562 18.436 ( 12.854 21.702 0.102) 25.223 18.770 ( -5.497 -8.132 -0.278) 9.820 19.016 ( -11.258 -20.381 0.147) 23.284 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( -3.967 0.460 -0.247) 4.001 3.607 ( -2.813 -0.495 0.194) 2.863 3.717 ( -2.357 0.097 0.019) 2.359 3.801 ( 3.494 -0.017 0.031) 3.494 4.026 ( -0.553 -0.100 0.099) 0.570 4.055 ( -0.368 0.017 -0.093) 0.380 5.127 ( -1.723 0.034 -0.248) 1.741 5.169 ( 3.456 0.151 0.201) 3.465 6.397 ( -15.045 0.067 -0.056) 15.046 7.520 ( -10.820 -0.013 0.029) 10.821 8.049 ( 4.409 0.213 0.012) 4.414 8.114 ( 7.541 -0.431 0.159) 7.555 12.894 ( -1.199 -0.086 0.002) 1.202 13.012 ( 10.544 -0.055 0.062) 10.544 14.769 ( -5.556 0.020 -0.003) 5.556 18.429 ( -24.949 0.479 0.166) 24.955 18.789 ( 9.860 -1.333 -0.507) 9.963 19.006 ( 23.123 0.903 0.286) 23.143 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( -5.495 -2.987 -0.139) 6.255 3.504 ( -6.667 -1.844 -0.003) 6.918 3.676 ( -4.374 1.213 -0.061) 4.539 3.843 ( -0.185 1.683 0.243) 1.710 4.010 ( -1.576 0.459 -0.167) 1.650 4.046 ( -0.463 0.358 0.080) 0.591 5.099 ( -1.770 -0.476 -0.348) 1.866 5.241 ( 5.381 -2.822 0.405) 6.090 5.980 ( -25.043 -6.660 0.004) 25.913 7.218 ( -13.731 -14.026 0.040) 19.629 8.166 ( 2.075 3.906 0.139) 4.425 8.271 ( 3.652 13.293 0.246) 13.788 12.943 ( 4.914 2.887 -0.074) 5.699 13.263 ( 18.616 -1.389 0.086) 18.668 14.608 ( -8.410 -5.471 0.003) 10.033 18.008 ( -20.611 -4.295 0.133) 21.055 18.979 ( 15.716 -3.356 -0.666) 16.084 19.488 ( 21.474 13.251 0.391) 25.237 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( -0.000 11.204 0.290) 11.208 3.077 ( -0.000 3.604 -0.096) 3.605 3.281 ( -0.000 20.841 0.170) 20.842 3.794 ( -0.000 6.452 0.064) 6.453 3.905 ( -0.000 3.507 0.244) 3.515 3.946 ( 0.000 7.362 -1.535) 7.520 4.049 ( -0.000 5.252 1.590) 5.487 5.219 ( 0.000 0.723 -0.104) 0.730 5.774 ( -0.000 5.416 -0.118) 5.418 6.096 ( 0.000 -9.787 0.420) 9.796 8.117 ( -0.000 19.295 -0.132) 19.296 8.784 ( -0.000 17.466 1.103) 17.501 13.078 ( 0.000 -15.364 0.101) 15.364 14.052 ( 0.000 -20.774 -0.688) 20.786 14.572 ( 0.000 -14.724 -0.063) 14.724 17.179 ( 0.000 -0.925 -0.086) 0.929 19.578 ( 0.000 -2.350 -0.322) 2.372 20.693 ( 0.000 -9.544 0.121) 9.544 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 3.391 3.044 0.130) 4.559 3.162 ( 4.661 7.060 0.010) 8.460 3.477 ( 1.234 15.623 -0.065) 15.672 3.832 ( -0.982 6.423 0.400) 6.510 4.000 ( -0.319 4.352 -1.486) 4.609 4.078 ( 1.592 3.214 1.341) 3.829 4.127 ( 15.558 3.748 0.235) 16.005 5.225 ( -1.516 3.117 -0.114) 3.468 5.759 ( -4.626 -0.980 0.498) 4.755 6.132 ( 14.823 -6.797 0.024) 16.307 8.283 ( -2.340 17.161 -0.270) 17.322 8.879 ( -6.750 13.013 0.655) 14.674 13.003 ( 6.470 -11.568 0.046) 13.254 13.810 ( -5.663 -17.611 -0.473) 18.505 14.418 ( -2.196 -10.404 -0.042) 10.633 17.244 ( 8.100 0.546 -0.058) 8.119 19.506 ( -5.422 -3.483 -0.439) 6.459 20.522 ( -9.166 -8.616 0.305) 12.583 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 5.973 2.258 0.183) 6.388 3.307 ( 5.834 3.782 -0.104) 6.953 3.623 ( 1.176 9.339 -0.107) 9.413 3.887 ( -0.493 5.636 0.522) 5.682 4.017 ( -0.518 1.642 -1.235) 2.119 4.084 ( -1.647 1.245 0.787) 2.210 4.556 ( 26.425 2.174 0.348) 26.516 5.226 ( -1.991 2.719 -0.263) 3.380 5.679 ( -1.110 -0.868 0.716) 1.581 6.419 ( 22.543 -2.728 -0.112) 22.708 8.362 ( -5.263 11.500 -0.172) 12.648 8.816 ( -12.773 8.203 0.214) 15.182 13.034 ( 5.448 -5.428 -0.077) 7.691 13.515 ( -8.425 -16.062 -0.237) 18.139 14.336 ( 2.396 -4.120 -0.009) 4.766 17.465 ( 14.963 3.345 0.010) 15.333 19.316 ( -11.030 -5.502 -0.517) 12.336 20.217 ( -17.085 -6.720 0.405) 18.364 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( 6.943 1.332 0.198) 7.073 3.441 ( 6.506 1.968 -0.147) 6.798 3.701 ( 0.327 3.711 0.039) 3.725 3.904 ( -2.374 2.056 0.056) 3.141 4.024 ( 0.337 1.022 -0.466) 1.172 4.062 ( -1.627 0.123 0.279) 1.656 4.965 ( 16.592 0.181 0.341) 16.597 5.198 ( -1.898 -1.549 -0.010) 2.450 5.798 ( 13.684 5.294 0.195) 14.674 6.824 ( 25.693 -0.786 -0.038) 25.705 8.322 ( -8.540 4.256 -0.002) 9.542 8.613 ( -17.104 3.488 -0.161) 17.456 13.042 ( -3.662 3.024 -0.172) 4.752 13.226 ( -6.614 -14.270 -0.095) 15.729 14.438 ( 11.040 0.141 0.041) 11.041 17.810 ( 19.558 5.181 0.126) 20.233 19.036 ( -13.522 -6.064 -0.547) 14.830 19.814 ( -23.047 -4.208 0.414) 23.432 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.505 ( 6.229 0.065 0.211) 6.233 3.562 ( 5.902 0.021 -0.174) 5.905 3.715 ( -0.336 0.021 0.088) 0.348 3.854 ( -3.938 -0.118 -0.123) 3.942 4.037 ( -0.440 -0.421 -0.272) 0.666 4.045 ( 0.388 0.459 0.236) 0.646 5.132 ( 3.616 1.503 0.027) 3.916 5.148 ( -1.447 -1.527 0.225) 2.116 6.175 ( 22.051 0.003 0.038) 22.051 7.257 ( 23.682 -0.028 -0.017) 23.682 8.169 ( -10.319 -0.063 0.069) 10.319 8.320 ( -17.492 -0.178 -0.341) 17.496 12.961 ( -6.677 0.128 -0.097) 6.679 13.050 ( -4.804 -0.155 -0.091) 4.808 14.656 ( 11.763 -0.006 0.030) 11.763 18.212 ( 22.273 -0.211 0.224) 22.275 18.784 ( -9.816 0.568 -0.464) 9.844 19.357 ( -26.635 -0.263 0.307) 26.638 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.578 ( 2.462 -3.175 0.282) 4.027 3.608 ( 0.912 -2.760 -0.213) 2.915 3.717 ( 1.291 -1.975 -0.030) 2.360 3.802 ( -1.796 3.048 -0.024) 3.538 4.027 ( 0.129 -0.515 -0.164) 0.555 4.054 ( 0.245 -0.336 0.145) 0.441 5.125 ( 0.937 -1.536 0.326) 1.829 5.170 ( -1.589 3.149 -0.264) 3.536 6.396 ( 7.611 -13.009 0.074) 15.072 7.521 ( 5.387 -9.365 -0.036) 10.804 8.049 ( -1.998 4.020 -0.022) 4.489 8.115 ( -4.276 6.281 -0.204) 7.601 12.894 ( 0.501 -1.093 -0.002) 1.202 13.012 ( -5.348 9.118 -0.082) 10.571 14.769 ( 2.802 -4.800 0.004) 5.558 18.430 ( 13.048 -21.328 -0.222) 25.004 18.785 ( -6.414 7.657 0.663) 10.010 19.008 ( -10.577 20.629 -0.369) 23.185 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( -3.085 -5.343 -0.000) 6.170 3.555 ( -2.906 -5.034 -0.000) 5.812 3.719 ( 0.254 0.439 -0.000) 0.507 3.851 ( 1.799 3.115 -0.000) 3.597 4.032 ( 0.357 0.619 -0.000) 0.714 4.047 ( -0.344 -0.596 -0.000) 0.688 5.137 ( -1.739 -3.011 -0.000) 3.477 5.153 ( 0.928 1.607 -0.000) 1.856 6.177 ( -11.077 -19.187 -0.000) 22.155 7.257 ( -11.844 -20.515 -0.000) 23.688 8.171 ( 5.145 8.912 -0.000) 10.291 8.306 ( 8.611 14.915 0.000) 17.223 12.958 ( 3.253 5.633 -0.000) 6.505 13.047 ( 2.334 4.042 0.000) 4.667 14.657 ( -5.848 -10.129 -0.000) 11.696 18.221 ( -11.228 -19.447 -0.000) 22.456 18.767 ( 4.919 8.520 -0.000) 9.838 19.368 ( 13.423 23.249 0.000) 26.845 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( -0.000 1.889 0.111) 1.892 3.186 ( -0.000 5.241 0.050) 5.241 3.603 ( -0.000 11.102 -0.083) 11.102 3.925 ( -0.000 6.245 0.715) 6.286 3.966 ( -0.000 2.249 0.218) 2.259 4.032 ( 0.000 1.851 -1.412) 2.328 4.122 ( -0.000 1.752 0.831) 1.939 5.292 ( -0.000 6.604 0.189) 6.607 5.838 ( 0.000 -14.574 0.482) 14.582 5.857 ( -0.000 2.853 -0.089) 2.854 8.461 ( -0.000 13.553 -0.270) 13.555 9.048 ( -0.000 8.597 0.257) 8.601 12.837 ( 0.000 -8.507 0.075) 8.508 13.722 ( 0.000 -11.592 -0.446) 11.600 14.341 ( 0.000 -8.108 -0.048) 8.108 17.165 ( 0.000 -0.436 -0.054) 0.439 19.534 ( 0.000 -1.637 -0.463) 1.701 20.528 ( 0.000 -6.361 0.399) 6.374 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 3.687 1.011 0.247) 3.831 3.254 ( 3.398 2.223 -0.110) 4.062 3.689 ( 0.204 5.538 0.110) 5.543 3.954 ( -0.870 4.574 0.366) 4.670 4.030 ( -0.307 -0.195 -0.952) 1.020 4.111 ( 1.111 0.130 0.337) 1.168 4.181 ( 15.606 1.404 0.257) 15.671 5.325 ( -4.250 5.534 0.128) 6.978 5.666 ( -1.561 -6.582 0.502) 6.783 6.048 ( 16.543 -1.462 -0.066) 16.608 8.537 ( -3.374 7.212 -0.098) 7.963 9.050 ( -6.935 4.021 -0.167) 8.018 12.847 ( 7.896 -4.014 0.022) 8.858 13.561 ( -7.956 -6.560 -0.315) 10.316 14.277 ( 0.076 -3.606 -0.060) 3.607 17.253 ( 10.182 0.283 -0.014) 10.186 19.454 ( -7.580 -1.323 -0.490) 7.711 20.399 ( -9.310 -3.429 0.460) 9.932 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( 6.158 0.029 0.301) 6.165 3.343 ( 5.623 -0.015 -0.170) 5.626 3.721 ( 0.095 0.306 0.322) 0.454 3.950 ( -1.694 -0.983 -0.596) 2.047 4.031 ( -0.059 1.318 0.214) 1.336 4.090 ( -1.762 -0.603 -0.084) 1.864 4.574 ( 25.588 -0.145 0.225) 25.590 5.263 ( -5.000 0.421 0.313) 5.028 5.662 ( 4.434 -0.646 0.053) 4.482 6.389 ( 23.231 0.044 -0.006) 23.231 8.485 ( -6.791 0.140 0.063) 6.793 8.893 ( -13.040 -0.342 -0.495) 13.054 12.989 ( 9.021 -0.013 -0.081) 9.022 13.340 ( -12.557 0.112 -0.209) 12.560 14.295 ( 4.666 -0.010 -0.008) 4.666 17.501 ( 17.509 0.027 0.069) 17.510 19.257 ( -13.536 0.149 -0.479) 13.545 20.149 ( -17.447 -0.079 0.457) 17.453 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( 6.949 -1.292 0.309) 7.075 3.441 ( 6.530 -1.907 -0.173) 6.805 3.705 ( 0.151 -3.437 0.302) 3.454 3.896 ( -1.973 -2.527 -0.498) 3.245 4.039 ( -0.177 0.192 0.617) 0.671 4.050 ( -1.384 -1.140 -0.547) 1.874 4.964 ( 16.778 -0.312 0.257) 16.783 5.203 ( -2.372 1.870 0.290) 3.034 5.792 ( 14.127 -5.838 -0.152) 15.287 6.824 ( 25.656 0.754 -0.045) 25.667 8.323 ( -8.647 -4.236 0.065) 9.629 8.606 ( -16.999 -3.986 -0.609) 17.471 13.043 ( -3.584 -2.954 -0.103) 4.645 13.224 ( -6.750 14.291 -0.188) 15.807 14.438 ( 11.042 -0.143 0.046) 11.043 17.810 ( 19.481 -5.222 0.132) 20.169 19.039 ( -13.335 6.568 -0.346) 14.869 19.813 ( -23.157 3.940 0.349) 23.492 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( 5.612 -3.294 0.353) 6.517 3.511 ( 4.734 -4.825 -0.188) 6.762 3.674 ( 1.248 -4.329 0.139) 4.507 3.844 ( -1.334 -1.093 -0.257) 1.744 4.016 ( -0.362 -1.526 -0.136) 1.574 4.043 ( 0.445 -0.706 0.125) 0.844 5.092 ( 1.947 -1.319 0.597) 2.426 5.241 ( -0.431 6.390 -0.419) 6.419 5.979 ( 18.446 -18.379 0.070) 26.039 7.220 ( 18.890 -4.827 -0.098) 19.497 8.164 ( -4.652 -0.015 -0.059) 4.653 8.278 ( -13.366 -3.838 -0.509) 13.915 12.945 ( -5.150 2.703 -0.022) 5.816 13.265 ( -8.239 16.751 -0.163) 18.668 14.607 ( 9.010 -4.520 0.031) 10.080 18.005 ( 14.181 -15.431 -0.004) 20.958 18.989 ( -5.536 14.680 0.215) 15.690 19.480 ( -21.759 12.349 -0.035) 25.019 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( -0.000 0.074 0.355) 0.363 3.236 ( 0.000 -0.097 -0.207) 0.229 3.718 ( -0.000 0.408 0.491) 0.638 3.989 ( -0.000 -0.080 0.168) 0.186 4.002 ( 0.000 -2.246 -1.100) 2.501 4.037 ( -0.000 2.312 0.328) 2.335 4.135 ( -0.000 -0.464 0.114) 0.478 5.428 ( -0.000 0.646 0.473) 0.801 5.617 ( -0.000 -0.963 0.155) 0.976 5.885 ( 0.000 0.029 -0.060) 0.067 8.605 ( -0.000 0.208 0.068) 0.219 9.128 ( 0.000 -0.391 -0.544) 0.670 12.751 ( -0.000 -0.047 0.034) 0.058 13.604 ( 0.000 0.223 -0.235) 0.324 14.258 ( 0.000 -0.030 -0.117) 0.121 17.161 ( 0.000 0.042 -0.010) 0.043 19.516 ( 0.000 0.093 -0.497) 0.506 20.463 ( -0.000 -0.047 0.513) 0.515 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 3.644 -0.915 0.415) 3.780 3.252 ( 3.463 -2.338 -0.253) 4.186 3.697 ( 0.140 -5.071 0.651) 5.114 3.937 ( -0.897 -4.718 -0.760) 4.863 4.051 ( -0.281 1.076 0.302) 1.153 4.099 ( 1.176 -1.246 -0.332) 1.745 4.180 ( 15.602 -1.623 0.175) 15.688 5.334 ( -4.221 -5.074 0.751) 6.642 5.653 ( -1.587 5.660 -0.354) 5.889 6.049 ( 16.567 1.420 -0.034) 16.628 8.540 ( -3.413 -6.964 0.129) 7.756 9.041 ( -6.903 -4.692 -0.761) 8.381 12.846 ( 7.899 3.940 -0.027) 8.827 13.564 ( -8.020 6.950 -0.130) 10.613 14.276 ( 0.105 3.576 -0.107) 3.579 17.253 ( 10.186 -0.205 0.039) 10.188 19.454 ( -7.547 1.525 -0.487) 7.715 20.400 ( -9.334 3.330 0.522) 9.924 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( 5.922 -2.292 0.404) 6.363 3.305 ( 5.943 -3.701 -0.214) 7.005 3.633 ( 1.029 -9.310 0.535) 9.382 3.873 ( -0.445 -5.111 -0.413) 5.147 4.043 ( -0.411 -1.121 -0.179) 1.207 4.062 ( -1.702 -2.307 0.033) 2.867 4.553 ( 26.435 -2.254 0.209) 26.532 5.242 ( -2.068 -2.303 0.739) 3.182 5.660 ( -0.937 0.327 -0.520) 1.120 6.418 ( 22.565 2.519 -0.174) 22.706 8.365 ( -5.390 -11.645 -0.006) 12.832 8.801 ( -12.655 -8.650 -0.749) 15.347 13.034 ( 5.554 5.481 -0.110) 7.804 13.518 ( -8.687 16.265 -0.074) 18.440 14.336 ( 2.453 4.149 -0.018) 4.820 17.467 ( 14.932 -3.311 0.104) 15.295 19.318 ( -10.856 5.790 -0.390) 12.309 20.218 ( -17.204 6.586 0.447) 18.427 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( 6.463 -4.446 0.387) 7.854 3.368 ( 5.911 -5.099 -0.154) 7.808 3.566 ( 2.964 -10.549 0.357) 10.963 3.823 ( 0.237 -4.122 -0.228) 4.136 4.008 ( -1.082 -2.976 -0.349) 3.186 4.023 ( 0.282 -2.304 0.165) 2.327 4.952 ( 18.134 -1.733 0.586) 18.226 5.242 ( 4.727 0.533 0.097) 4.758 5.615 ( 0.574 -9.297 -0.332) 9.321 6.826 ( 22.090 -1.457 -0.251) 22.139 8.171 ( -2.515 -10.101 -0.291) 10.413 8.458 ( -14.479 -10.185 -0.550) 17.711 13.094 ( -4.815 7.835 -0.038) 9.196 13.598 ( -6.800 22.454 -0.129) 23.461 14.438 ( 6.021 0.441 0.064) 6.038 17.647 ( 12.507 -9.822 0.076) 15.903 19.245 ( -7.335 12.505 -0.058) 14.497 19.967 ( -20.671 11.178 0.206) 23.500 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( -0.000 -1.783 0.496) 1.851 3.180 ( 0.000 -5.384 -0.305) 5.393 3.615 ( 0.000 -11.217 0.696) 11.238 3.910 ( 0.000 -5.377 -0.384) 5.390 3.964 ( 0.000 -2.395 0.108) 2.398 4.054 ( 0.000 -1.326 -0.351) 1.372 4.104 ( 0.000 -2.946 0.087) 2.948 5.305 ( -0.000 -6.464 1.023) 6.544 5.818 ( -0.000 13.960 -0.787) 13.982 5.857 ( 0.000 -2.803 -0.053) 2.803 8.466 ( 0.000 -13.603 0.042) 13.603 9.031 ( 0.000 -9.119 -0.835) 9.157 12.836 ( -0.000 8.419 -0.025) 8.419 13.729 ( -0.000 12.065 0.008) 12.065 14.339 ( -0.000 8.112 -0.157) 8.113 17.166 ( -0.000 0.516 0.046) 0.518 19.533 ( 0.000 1.780 -0.502) 1.849 20.531 ( -0.000 6.319 0.560) 6.344 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 3.408 -4.218 0.360) 5.435 3.161 ( 4.707 -5.892 -0.127) 7.542 3.488 ( 1.220 -15.910 0.633) 15.969 3.827 ( -1.064 -5.564 0.028) 5.665 4.023 ( 0.078 -3.755 -1.049) 3.900 4.050 ( 0.125 -4.346 0.667) 4.398 4.124 ( 16.720 -3.773 0.088) 17.141 5.244 ( -1.389 -2.896 1.120) 3.402 5.744 ( -5.336 1.431 -0.534) 5.550 6.122 ( 15.444 5.985 -0.658) 16.576 8.283 ( -2.430 -17.659 -0.224) 17.826 8.857 ( -6.667 -13.410 -0.720) 14.993 13.001 ( 6.516 11.527 -0.081) 13.241 13.820 ( -5.861 18.062 0.128) 18.989 14.417 ( -2.130 10.480 -0.115) 10.694 17.246 ( 8.096 -0.486 0.092) 8.111 19.505 ( -5.300 3.616 -0.461) 6.432 20.526 ( -9.256 8.618 0.531) 12.658 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( 5.923 -7.474 0.280) 9.540 3.208 ( 6.364 -5.213 0.007) 8.227 3.365 ( 4.157 -17.245 0.530) 17.747 3.769 ( 0.371 -5.107 0.114) 5.121 3.978 ( 0.410 -4.987 -1.517) 5.228 3.984 ( -0.768 -6.055 1.033) 6.190 4.469 ( 26.551 -6.717 0.317) 27.389 5.211 ( -0.794 -0.388 0.966) 1.309 5.655 ( -5.747 -0.982 -0.587) 5.860 6.459 ( 18.991 0.692 -0.630) 19.014 8.066 ( -1.377 -16.533 -0.623) 16.602 8.549 ( -10.988 -16.158 -0.477) 19.546 13.222 ( 2.707 13.166 -0.092) 13.442 13.928 ( -4.995 23.762 0.161) 24.282 14.465 ( -3.649 9.068 -0.018) 9.775 17.385 ( 9.458 -4.468 0.107) 10.461 19.462 ( -5.350 8.073 -0.267) 9.688 20.399 ( -16.035 10.850 0.385) 19.365 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( 0.000 -11.277 -0.192) 11.278 3.087 ( -0.000 -3.557 0.485) 3.590 3.290 ( 0.000 -21.105 0.762) 21.119 3.801 ( 0.000 -5.533 0.371) 5.545 3.902 ( 0.000 -3.617 0.054) 3.618 3.977 ( 0.000 -6.366 -0.421) 6.380 4.008 ( 0.000 -6.711 -0.134) 6.712 5.242 ( -0.000 -0.435 1.386) 1.453 5.775 ( 0.000 -5.385 -0.075) 5.385 6.066 ( 0.000 9.876 -1.515) 9.991 8.110 ( 0.000 -20.313 -0.584) 20.322 8.757 ( 0.000 -17.918 -0.551) 17.926 13.075 ( -0.000 15.294 -0.091) 15.295 14.067 ( -0.000 21.330 0.306) 21.332 14.571 ( -0.000 14.926 -0.111) 14.926 17.182 ( -0.000 0.993 0.110) 1.000 19.575 ( 0.000 2.358 -0.489) 2.408 20.700 ( -0.000 9.705 0.553) 9.721 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 6.886 -12.808 -0.026) 14.541 3.059 ( 2.374 -12.757 0.475) 12.985 3.108 ( 4.075 -15.617 0.699) 16.155 3.722 ( -1.097 -5.123 0.459) 5.259 3.895 ( 0.720 -8.793 -0.833) 8.862 3.920 ( 0.090 -8.647 0.308) 8.653 4.034 ( 15.278 -5.315 0.051) 16.176 5.241 ( -1.192 1.884 1.391) 2.628 5.702 ( -1.990 -4.731 -0.274) 5.139 6.215 ( 9.572 1.187 -1.318) 9.735 7.905 ( -0.458 -17.804 -1.067) 17.842 8.507 ( -5.781 -21.191 -0.282) 21.967 13.291 ( 5.134 17.160 -0.125) 17.913 14.254 ( -4.511 24.734 0.448) 25.146 14.687 ( -5.185 16.465 -0.058) 17.262 17.238 ( 4.850 -0.316 0.134) 4.863 19.580 ( -1.775 3.570 -0.394) 4.006 20.721 ( -8.739 9.962 0.473) 13.260 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 0.000 -17.352 0.051) 17.352 2.806 ( 0.000 -27.403 1.073) 27.424 3.002 ( 0.000 -5.154 0.360) 5.167 3.690 ( -0.000 -6.453 0.976) 6.527 3.788 ( 0.000 -12.321 0.057) 12.321 3.828 ( 0.000 -3.771 0.031) 3.772 3.842 ( 0.000 -9.482 -1.055) 9.541 5.284 ( -0.000 3.568 1.624) 3.920 5.646 ( 0.000 -7.362 -0.113) 7.363 6.119 ( 0.000 -6.090 -1.599) 6.297 7.744 ( 0.000 -13.677 -1.608) 13.771 8.328 ( 0.000 -24.164 0.064) 24.164 13.426 ( -0.000 19.456 -0.150) 19.456 14.557 ( -0.000 27.123 0.565) 27.129 14.920 ( -0.000 19.827 0.073) 19.827 17.206 ( -0.000 1.425 0.168) 1.435 19.608 ( 0.000 0.650 -0.361) 0.744 20.888 ( -0.000 8.062 0.410) 8.072 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.150 ( -0.000 0.000 6.936) 6.936 0.150 ( -0.000 0.000 6.936) 6.936 0.270 ( -0.000 0.000 15.944) 15.944 2.491 ( 0.000 -0.000 -0.491) 0.491 2.491 ( 0.000 -0.000 -0.491) 0.491 3.604 ( -0.000 0.000 0.150) 0.150 3.604 ( -0.000 0.000 0.150) 0.150 3.957 ( 0.000 -0.000 -2.807) 2.807 5.043 ( 0.000 -0.000 -0.039) 0.039 5.043 ( 0.000 -0.000 -0.039) 0.039 6.192 ( 0.000 -0.000 -2.747) 2.747 8.608 ( -0.000 0.000 8.272) 8.272 14.827 ( 0.000 -0.000 -0.075) 0.075 14.827 ( 0.000 -0.000 -0.075) 0.075 17.128 ( -0.000 0.000 1.059) 1.059 17.334 ( 0.000 -0.000 -0.004) 0.004 17.334 ( 0.000 -0.000 -0.004) 0.004 19.439 ( 0.000 -0.000 -3.131) 3.131 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 15.492 8.945 8.969) 20.012 0.676 ( 26.808 15.478 1.824) 31.009 1.078 ( 45.046 26.007 0.592) 52.018 2.524 ( 2.967 1.713 -0.523) 3.465 2.637 ( 11.236 6.487 0.777) 12.997 3.615 ( 0.924 0.534 0.165) 1.080 3.750 ( -3.353 -1.936 -4.270) 5.764 4.142 ( 18.077 10.437 -9.873) 23.090 5.077 ( 2.981 1.721 -0.058) 3.442 5.226 ( 12.801 7.391 -0.544) 14.791 6.134 ( 2.815 1.625 4.635) 5.661 8.516 ( -7.073 -4.084 6.508) 10.443 14.752 ( -6.400 -3.695 -0.081) 7.391 16.358 ( 9.340 5.392 -36.047) 37.626 17.029 ( -22.424 -12.947 0.061) 25.893 17.328 ( -0.615 -0.355 0.006) 0.710 18.187 ( 86.095 49.707 -33.374) 104.866 19.460 ( 6.546 3.779 -9.277) 11.966 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 25.913 14.961 3.258) 30.099 1.287 ( 25.761 14.873 1.010) 29.764 2.058 ( 39.209 22.637 -0.595) 45.278 2.618 ( 5.080 2.933 -0.518) 5.889 2.955 ( 15.048 8.688 2.653) 17.577 3.647 ( 1.790 1.033 0.185) 2.075 3.658 ( -2.810 -1.622 -2.256) 3.952 4.579 ( 21.920 12.655 -7.775) 26.478 5.175 ( 5.422 3.130 -0.070) 6.261 5.449 ( 4.606 2.659 -1.591) 5.551 6.403 ( 19.627 11.332 4.752) 23.157 8.331 ( -9.745 -5.626 5.957) 12.732 14.539 ( -11.907 -6.874 -0.013) 13.749 16.125 ( -15.953 -9.211 -10.121) 21.019 16.429 ( -27.502 -15.879 -2.258) 31.837 17.307 ( -1.185 -0.684 -0.050) 1.370 19.317 ( 15.482 8.939 9.525) 20.256 19.981 ( 40.499 23.382 -28.765) 54.903 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 28.120 16.235 1.156) 32.491 1.854 ( 23.190 13.388 0.664) 26.785 2.745 ( 5.898 3.405 -0.494) 6.829 2.843 ( 28.946 16.712 -1.957) 33.481 3.306 ( 14.339 8.278 3.720) 16.970 3.624 ( 0.289 0.167 -1.764) 1.795 3.697 ( 2.508 1.448 0.202) 2.904 5.125 ( 26.213 15.134 -4.611) 30.618 5.318 ( 6.894 3.980 -0.066) 7.960 5.455 ( -2.475 -1.429 -1.606) 3.278 6.966 ( 26.108 15.073 2.969) 30.293 8.122 ( -8.575 -4.951 5.872) 11.512 14.216 ( -15.853 -9.153 0.090) 18.306 15.676 ( -22.304 -12.877 -2.136) 25.843 15.818 ( -23.822 -13.753 -3.822) 27.771 17.275 ( -1.513 -0.874 -0.134) 1.753 19.530 ( 5.282 3.050 3.651) 7.109 20.671 ( 20.631 11.911 -9.173) 25.528 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 26.732 15.434 0.185) 30.868 2.347 ( 19.464 11.238 0.452) 22.480 2.878 ( 5.608 3.238 -0.473) 6.493 3.381 ( 18.592 10.734 -2.673) 21.634 3.594 ( 8.089 4.670 2.008) 9.554 3.683 ( 6.831 3.944 0.354) 7.896 3.762 ( 3.014 1.740 0.198) 3.486 5.367 ( -4.065 -2.347 -1.493) 4.925 5.483 ( 7.210 4.163 -0.044) 8.326 5.715 ( 23.539 13.590 -1.740) 27.236 7.496 ( 16.295 9.408 2.159) 18.939 8.052 ( 5.172 2.986 4.211) 7.307 13.827 ( -17.617 -10.171 0.172) 20.343 15.106 ( -25.546 -14.749 -1.414) 29.532 15.329 ( -19.219 -11.096 -1.608) 22.250 17.239 ( -1.541 -0.890 -0.196) 1.790 19.609 ( 1.353 0.781 1.008) 1.860 20.920 ( 3.387 1.956 -2.445) 4.613 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 14.725 8.502 0.324) 17.007 2.823 ( 23.219 13.405 -0.315) 26.812 2.996 ( 4.625 2.670 -0.465) 5.360 3.690 ( 7.212 4.164 -2.201) 8.614 3.735 ( 8.597 4.963 0.079) 9.927 3.835 ( 3.290 1.899 0.149) 3.801 3.898 ( 8.773 5.065 1.880) 10.303 5.279 ( -2.949 -1.703 -1.429) 3.693 5.641 ( 6.406 3.699 -0.010) 7.397 6.093 ( 7.527 4.346 0.689) 8.719 7.754 ( 11.268 6.506 1.816) 13.138 8.389 ( 18.795 10.851 1.601) 21.761 13.427 ( -16.771 -9.683 0.186) 19.366 14.535 ( -23.360 -13.487 -1.133) 26.998 14.912 ( -16.766 -9.680 -0.309) 19.362 17.205 ( -1.298 -0.750 -0.197) 1.512 19.607 ( -1.347 -0.778 0.326) 1.589 20.876 ( -5.676 -3.277 -0.720) 6.593 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( 9.328 5.386 0.264) 10.775 3.087 ( 3.370 1.945 -0.452) 3.917 3.296 ( 17.589 10.155 -0.527) 20.317 3.815 ( 5.366 3.098 -0.587) 6.224 3.910 ( 3.114 1.798 0.037) 3.595 3.917 ( 5.966 3.445 -0.082) 6.890 4.060 ( 4.941 2.853 0.782) 5.759 5.244 ( 0.559 0.323 -1.278) 1.432 5.771 ( 4.720 2.725 0.024) 5.450 6.073 ( -7.647 -4.415 1.500) 8.956 8.102 ( 17.180 9.919 0.495) 19.844 8.787 ( 14.534 8.391 0.943) 16.809 13.078 ( -13.214 -7.629 0.123) 15.259 14.048 ( -18.311 -10.572 -0.551) 21.151 14.568 ( -12.790 -7.384 0.080) 14.769 17.180 ( -0.884 -0.511 -0.134) 1.030 19.563 ( -2.212 -1.277 0.316) 2.574 20.706 ( -8.023 -4.632 -0.452) 9.276 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 1.842 1.064 -0.447) 2.174 3.183 ( 4.257 2.458 0.261) 4.923 3.612 ( 9.725 5.615 -0.644) 11.248 3.934 ( 4.605 2.659 0.339) 5.328 3.971 ( 1.978 1.142 -0.110) 2.287 4.006 ( 1.903 1.099 0.232) 2.210 4.131 ( 1.384 0.799 0.050) 1.599 5.311 ( 5.497 3.174 -1.047) 6.433 5.833 ( -11.901 -6.871 0.782) 13.765 5.854 ( 2.492 1.439 0.053) 2.878 8.457 ( 12.090 6.980 -0.030) 13.960 9.039 ( 7.018 4.052 0.831) 8.146 12.838 ( -7.328 -4.231 0.025) 8.461 13.715 ( -10.160 -5.866 -0.016) 11.732 14.338 ( -7.036 -4.062 0.161) 8.126 17.165 ( -0.412 -0.238 -0.046) 0.478 19.519 ( -1.453 -0.839 0.477) 1.744 20.543 ( -5.442 -3.142 -0.533) 6.307 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 0.107 0.062 -0.465) 0.481 3.231 ( -0.132 -0.076 0.274) 0.313 3.731 ( 0.498 0.287 -0.664) 0.878 3.980 ( -1.580 -0.912 1.027) 2.093 3.993 ( -0.092 -0.053 -0.219) 0.243 4.038 ( 1.479 0.854 0.145) 1.714 4.139 ( -0.381 -0.220 -0.287) 0.525 5.440 ( 0.723 0.417 -0.621) 1.040 5.621 ( -1.091 -0.630 -0.199) 1.275 5.884 ( 0.033 0.019 0.079) 0.087 8.606 ( 0.242 0.140 -0.096) 0.296 9.114 ( -0.449 -0.259 0.722) 0.889 12.752 ( -0.053 -0.031 -0.044) 0.076 13.599 ( 0.253 0.146 0.298) 0.417 14.255 ( -0.034 -0.020 0.158) 0.163 17.160 ( 0.047 0.027 0.013) 0.056 19.504 ( 0.102 0.059 0.619) 0.630 20.476 ( -0.051 -0.029 -0.638) 0.640 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( -1.534 -0.886 -0.463) 1.831 3.177 ( -4.641 -2.679 0.216) 5.363 3.623 ( -9.764 -5.637 -0.416) 11.282 3.908 ( -4.173 -2.409 -0.122) 4.820 3.966 ( -2.117 -1.222 -0.231) 2.456 4.042 ( -1.515 -0.875 1.342) 2.205 4.111 ( -2.351 -1.358 -0.853) 2.846 5.318 ( -5.411 -3.124 -0.905) 6.313 5.811 ( 11.577 6.684 0.243) 13.371 5.856 ( -2.429 -1.402 0.100) 2.807 8.465 ( -11.972 -6.912 0.169) 13.826 9.022 ( -7.769 -4.485 0.407) 8.980 12.836 ( 7.255 4.189 -0.036) 8.378 13.727 ( 10.595 6.117 0.300) 12.237 14.337 ( 7.032 4.060 0.150) 8.121 17.167 ( 0.478 0.276 0.005) 0.552 19.526 ( 1.583 0.914 0.660) 1.944 20.539 ( 5.433 3.137 -0.654) 6.308 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( -9.735 -5.620 0.046) 11.241 3.090 ( -3.088 -1.783 -0.387) 3.586 3.295 ( -18.187 -10.500 -0.716) 21.012 3.803 ( -4.707 -2.718 -0.442) 5.453 3.903 ( -3.159 -1.824 -0.147) 3.651 3.970 ( -5.200 -3.002 1.666) 6.231 4.012 ( -6.155 -3.553 -1.142) 7.198 5.250 ( -0.296 -0.171 -1.248) 1.294 5.774 ( -4.666 -2.694 0.114) 5.389 6.057 ( 8.368 4.831 1.231) 9.740 8.106 ( -17.781 -10.266 0.596) 20.540 8.755 ( -15.438 -8.913 0.092) 17.826 13.075 ( 13.221 7.633 0.046) 15.266 14.069 ( 18.589 10.733 -0.024) 21.465 14.570 ( 12.951 7.477 0.129) 14.955 17.182 ( 0.883 0.510 -0.069) 1.022 19.572 ( 2.079 1.200 0.567) 2.466 20.703 ( 8.371 4.833 -0.548) 9.681 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -0.000 16.187 9.613) 18.826 0.656 ( -0.000 30.771 1.601) 30.813 1.093 ( -0.000 51.070 0.894) 51.078 2.525 ( 0.000 3.512 -0.498) 3.547 2.644 ( -0.000 13.613 0.730) 13.633 3.615 ( -0.000 1.037 0.158) 1.049 3.746 ( 0.000 -3.356 -4.310) 5.463 4.131 ( 0.000 21.849 -9.823) 23.955 5.078 ( -0.000 3.520 -0.040) 3.520 5.212 ( -0.000 14.521 -0.196) 14.522 6.121 ( -0.000 1.515 4.446) 4.697 8.530 ( -0.000 -8.471 6.726) 10.817 14.755 ( 0.000 -7.243 -0.042) 7.244 16.290 ( 0.000 18.263 -37.422) 41.641 17.015 ( 0.000 -28.583 0.222) 28.583 17.324 ( 0.000 -0.865 -0.038) 0.866 18.012 ( 0.000 85.918 -23.353) 89.035 19.558 ( 0.000 19.898 -12.150) 23.314 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 14.422 22.531 4.886) 27.194 1.175 ( 17.376 27.965 1.039) 32.940 1.787 ( 22.827 39.712 -0.330) 45.807 2.591 ( 2.709 4.952 -0.513) 5.668 2.871 ( 8.138 15.050 2.290) 17.262 3.646 ( 1.468 2.404 0.166) 2.821 3.668 ( -2.362 -3.823 -2.591) 5.188 4.431 ( 10.754 20.605 -8.433) 24.725 5.181 ( 4.017 7.482 -0.502) 8.507 5.389 ( 4.511 7.465 -1.074) 8.788 6.272 ( 9.703 12.903 5.023) 16.908 8.400 ( -5.359 -9.575 5.951) 12.482 14.622 ( -5.662 -9.353 -0.011) 10.933 16.196 ( -7.482 -10.968 -14.829) 19.904 16.569 ( -14.960 -29.843 -1.102) 33.401 17.293 ( -0.754 -1.767 0.004) 1.921 19.069 ( 31.931 30.884 0.771) 44.430 19.825 ( 7.275 38.729 -25.256) 46.805 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 22.545 22.511 2.006) 31.922 1.740 ( 15.938 26.536 0.585) 30.960 2.551 ( 25.884 25.443 -1.534) 36.328 2.708 ( 4.522 6.386 -0.501) 7.841 3.191 ( 11.214 12.852 3.538) 17.420 3.609 ( -0.525 -1.663 -1.968) 2.630 3.712 ( 1.681 5.307 0.117) 5.568 4.863 ( 18.452 17.388 -5.171) 25.875 5.343 ( 3.108 12.980 -0.654) 13.363 5.454 ( 0.546 -1.374 -1.451) 2.071 6.721 ( 20.672 18.782 3.705) 28.175 8.203 ( -7.284 -9.172 5.763) 13.054 14.378 ( -11.711 -9.286 0.063) 14.946 15.839 ( -14.798 -16.637 -4.269) 22.671 15.985 ( -18.475 -25.300 -3.414) 31.513 17.267 ( -0.024 -2.252 -0.051) 2.253 19.519 ( 5.977 8.347 5.579) 11.684 20.430 ( 20.618 24.554 -14.112) 35.031 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 24.098 20.644 0.594) 31.737 2.244 ( 13.579 22.967 0.332) 26.683 2.838 ( 4.568 5.973 -0.464) 7.534 3.163 ( 20.109 15.800 -2.398) 25.686 3.503 ( 10.290 9.365 3.441) 14.333 3.615 ( 2.832 0.513 -1.205) 3.120 3.807 ( 0.791 9.343 0.047) 9.377 5.316 ( 15.571 6.124 -1.119) 16.769 5.393 ( -1.251 -2.065 -1.687) 2.945 5.609 ( 9.315 21.098 -1.314) 23.100 7.286 ( 21.423 15.701 2.227) 26.654 8.032 ( -2.893 -5.896 4.906) 8.198 14.044 ( -16.529 -8.239 0.132) 18.469 15.328 ( -20.779 -20.845 -1.240) 29.459 15.475 ( -15.290 -18.403 -2.625) 24.069 17.247 ( -0.291 -1.094 -0.135) 1.140 19.631 ( -0.227 4.863 1.556) 5.110 20.812 ( 9.667 3.616 -3.929) 11.043 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 22.571 17.555 -0.158) 28.595 2.659 ( 10.714 17.920 0.233) 20.880 2.968 ( 3.728 5.902 -0.446) 6.995 3.557 ( 12.179 7.502 -2.384) 14.502 3.661 ( 5.030 3.266 0.089) 5.998 3.792 ( 9.501 6.371 2.052) 11.622 3.921 ( -0.889 13.426 -0.021) 13.455 5.295 ( -2.583 -3.833 -1.321) 4.808 5.570 ( 7.585 4.302 -0.020) 8.720 6.025 ( 11.236 16.646 -0.202) 20.084 7.657 ( 8.195 6.547 2.391) 10.758 8.146 ( 17.387 4.520 2.070) 18.084 13.662 ( -18.585 -6.719 0.157) 19.763 14.761 ( -21.418 -18.297 -1.233) 28.196 15.046 ( -13.796 -16.409 -0.623) 21.447 17.236 ( -1.053 1.292 -0.177) 1.676 19.633 ( -2.488 0.415 0.381) 2.551 20.860 ( 0.298 -7.478 -1.019) 7.553 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 7.461 12.173 0.176) 14.279 3.057 ( 7.918 7.106 -0.396) 10.646 3.111 ( 13.235 11.997 -0.493) 17.870 3.722 ( 5.853 1.922 -0.984) 6.239 3.839 ( 7.559 4.934 0.029) 9.027 3.988 ( 6.369 4.185 0.904) 7.674 4.037 ( -2.988 16.114 -0.059) 16.389 5.230 ( -0.553 -2.300 -1.257) 2.678 5.709 ( 4.978 1.694 0.248) 5.264 6.208 ( -4.399 8.059 1.103) 9.247 7.910 ( 14.629 8.096 1.117) 16.757 8.551 ( 20.042 4.634 0.879) 20.589 13.292 ( -17.280 -4.276 0.135) 17.802 14.235 ( -19.204 -15.791 -0.692) 24.872 14.681 ( -11.337 -12.599 -0.013) 16.949 17.236 ( -2.215 4.377 -0.156) 4.908 19.570 ( -2.474 -3.698 0.269) 4.457 20.721 ( -3.673 -12.000 -0.465) 12.558 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( 0.920 4.903 -0.364) 5.001 3.161 ( 3.756 7.018 0.138) 7.962 3.484 ( 12.766 8.660 -0.531) 15.436 3.844 ( 5.984 2.145 -0.250) 6.362 3.973 ( 3.792 1.979 0.435) 4.300 4.093 ( 2.002 2.305 0.111) 3.055 4.132 ( -4.690 16.055 -0.120) 16.726 5.240 ( 3.600 -0.192 -1.071) 3.761 5.761 ( 1.459 -4.161 0.448) 4.432 6.122 ( -12.757 9.785 0.669) 16.092 8.275 ( 16.332 6.779 0.234) 17.685 8.878 ( 14.162 0.375 0.724) 14.186 13.003 ( -13.145 -0.257 0.080) 13.148 13.805 ( -12.658 -13.725 -0.134) 18.672 14.415 ( -7.922 -7.048 0.118) 10.604 17.244 ( -3.637 7.306 -0.092) 8.162 19.492 ( -0.407 -6.461 0.441) 6.489 20.535 ( -2.732 -12.209 -0.510) 12.521 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -0.899 3.714 -0.462) 3.849 3.250 ( 0.140 4.009 0.262) 4.020 3.696 ( 5.006 3.019 -0.622) 5.879 3.951 ( 3.225 0.725 0.693) 3.377 4.019 ( 1.143 0.441 0.049) 1.226 4.113 ( -1.139 1.140 0.092) 1.614 4.187 ( -6.438 13.952 -0.279) 15.369 5.334 ( 6.897 -1.179 -0.744) 7.036 5.670 ( -4.814 -4.521 0.123) 6.606 6.047 ( -9.402 13.688 0.056) 16.606 8.537 ( 8.146 0.816 -0.078) 8.187 9.040 ( 6.643 -4.144 0.768) 7.867 12.847 ( -7.370 4.754 0.017) 8.771 13.555 ( -1.726 -10.143 0.233) 10.292 14.275 ( -3.204 -1.674 0.126) 3.617 17.253 ( -4.873 9.008 -0.031) 10.242 19.442 ( 2.648 -7.212 0.610) 7.707 20.410 ( 1.716 -9.801 -0.629) 9.969 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( -2.579 2.683 -0.485) 3.753 3.249 ( -3.777 1.848 0.274) 4.214 3.705 ( -4.449 -2.502 -0.552) 5.135 3.929 ( -3.174 -2.900 0.420) 4.320 4.048 ( 0.398 -0.100 0.667) 0.783 4.099 ( -1.436 0.978 -0.314) 1.765 4.183 ( -9.143 12.456 -0.323) 15.455 5.343 ( -1.983 -6.178 -0.625) 6.518 5.651 ( 5.315 1.274 -0.104) 5.467 6.048 ( -7.162 15.012 0.069) 16.633 8.541 ( -4.393 -6.485 -0.026) 7.833 9.031 ( -0.614 -8.295 0.663) 8.344 12.846 ( -0.532 8.745 0.003) 8.761 13.561 ( 10.135 -3.407 0.308) 10.697 14.275 ( 3.010 1.928 0.122) 3.577 17.254 ( -5.269 8.763 -0.017) 10.225 19.446 ( 5.131 -5.734 0.669) 7.723 20.407 ( 7.536 -6.462 -0.671) 9.950 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( -5.760 0.707 -0.440) 5.820 3.160 ( -7.031 1.270 0.174) 7.147 3.491 ( -14.339 -6.905 -0.546) 15.924 3.828 ( -4.150 -3.666 -0.169) 5.540 4.014 ( -3.424 -1.813 1.645) 4.209 4.056 ( -3.627 -2.196 -1.231) 4.415 4.125 ( -11.764 12.752 -0.186) 17.351 5.251 ( -1.686 -2.676 -1.018) 3.322 5.741 ( 3.945 -3.937 0.305) 5.582 6.118 ( -2.843 16.317 0.606) 16.573 8.282 ( -14.219 -11.019 0.317) 17.992 8.854 ( -8.222 -12.433 0.413) 14.911 13.001 ( 6.718 11.379 0.056) 13.215 13.820 ( 18.679 4.008 0.058) 19.105 14.416 ( 10.135 3.418 0.125) 10.696 17.247 ( -4.458 6.787 -0.062) 8.120 19.502 ( 5.807 -2.739 0.584) 6.447 20.529 ( 12.074 -3.743 -0.597) 12.655 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.000 28.764 3.880) 29.024 1.268 ( -0.000 29.757 1.001) 29.774 2.051 ( -0.000 44.060 -0.624) 44.065 2.619 ( -0.000 5.868 -0.496) 5.889 2.979 ( -0.000 18.092 2.649) 18.285 3.647 ( -0.000 2.027 0.177) 2.035 3.650 ( 0.000 -3.307 -2.421) 4.098 4.573 ( 0.000 26.384 -7.939) 27.553 5.178 ( -0.000 6.335 -0.069) 6.336 5.446 ( 0.000 5.904 -1.412) 6.071 6.378 ( -0.000 22.807 5.077) 23.365 8.350 ( -0.000 -11.723 5.818) 13.087 14.545 ( 0.000 -13.660 -0.011) 13.660 16.109 ( 0.000 -14.732 -11.669) 18.794 16.370 ( 0.000 -33.510 -0.732) 33.518 17.301 ( 0.000 -1.458 -0.051) 1.459 19.104 ( -0.000 29.037 3.810) 29.286 20.138 ( 0.000 40.071 -21.780) 45.608 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 9.628 29.964 2.346) 31.561 1.729 ( 15.996 26.756 0.724) 31.182 2.541 ( 9.622 34.681 -1.404) 36.018 2.708 ( 3.097 6.957 -0.485) 7.631 3.207 ( 4.827 16.548 3.276) 17.546 3.604 ( -1.154 -1.305 -1.990) 2.645 3.711 ( 3.844 4.026 0.145) 5.569 4.865 ( 4.795 25.184 -5.216) 26.162 5.342 ( 8.917 8.379 -0.632) 12.253 5.459 ( -1.298 1.125 -1.510) 2.287 6.713 ( 7.465 27.571 3.931) 28.833 8.208 ( -3.835 -11.539 5.637) 13.403 14.381 ( -2.448 -14.660 0.020) 14.863 15.852 ( -8.397 -18.869 -5.215) 21.301 15.944 ( -10.052 -30.529 -2.119) 32.211 17.264 ( -1.648 -1.259 -0.010) 2.074 19.456 ( 11.263 10.869 5.357) 16.544 20.487 ( 3.289 29.834 -13.709) 32.997 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 16.478 27.161 1.054) 31.786 2.258 ( 14.412 24.136 0.430) 28.115 2.828 ( 4.151 7.292 -0.489) 8.405 3.048 ( 13.614 22.857 -2.015) 26.680 3.467 ( 7.065 12.861 3.368) 15.056 3.590 ( 0.502 0.723 -1.499) 1.738 3.857 ( 5.335 9.054 0.124) 10.510 5.190 ( 8.773 15.620 -1.841) 18.010 5.391 ( -1.712 -3.466 -1.432) 4.123 5.661 ( 9.810 18.804 -1.364) 21.253 7.166 ( 13.601 23.828 2.298) 27.532 8.034 ( -4.622 -9.408 5.075) 11.646 14.162 ( -7.456 -12.602 0.053) 14.643 15.399 ( -14.740 -25.699 -1.078) 29.646 15.500 ( -12.031 -21.280 -2.918) 24.619 17.238 ( -0.157 -0.512 -0.021) 0.536 19.665 ( 3.705 4.114 2.206) 5.960 20.733 ( 3.632 9.229 -5.081) 11.144 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 18.279 22.635 0.123) 29.095 2.688 ( 9.742 20.144 0.283) 22.378 2.970 ( 3.904 7.269 -0.419) 8.261 3.444 ( 11.350 13.019 -2.126) 17.403 3.628 ( 2.603 3.344 -0.440) 4.260 3.716 ( 7.865 8.605 2.364) 11.895 4.066 ( 3.712 16.551 -0.029) 16.962 5.292 ( -2.126 -4.169 -0.808) 4.749 5.464 ( 8.240 5.649 -0.591) 10.008 6.049 ( 10.065 22.261 -0.799) 24.444 7.607 ( 10.595 15.673 1.882) 19.011 7.946 ( 5.289 -3.949 3.097) 7.291 13.871 ( -13.190 -9.930 0.041) 16.510 14.902 ( -16.485 -19.531 -1.123) 25.583 15.067 ( -11.878 -21.980 -0.852) 24.999 17.250 ( 0.935 1.686 -0.071) 1.929 19.694 ( -2.716 0.390 0.388) 2.771 20.765 ( 0.036 -7.043 -1.301) 7.162 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 15.323 15.732 -0.449) 21.965 3.007 ( 7.365 16.108 0.339) 17.715 3.103 ( 3.167 7.562 -0.422) 8.210 3.658 ( 4.966 4.295 -1.242) 6.682 3.767 ( 7.003 6.554 -0.115) 9.592 3.915 ( 6.599 4.833 1.340) 8.289 4.296 ( -1.157 23.949 -0.230) 23.978 5.217 ( -1.447 -3.197 -0.963) 3.639 5.616 ( 6.400 -0.511 0.288) 6.427 6.368 ( 1.814 17.765 0.331) 17.860 7.807 ( 5.674 8.001 1.864) 9.984 8.224 ( 20.820 2.286 0.726) 20.958 13.529 ( -15.338 -7.894 0.035) 17.250 14.414 ( -20.047 -15.423 -0.693) 25.303 14.697 ( -7.445 -17.281 -0.089) 18.817 17.302 ( 0.867 5.565 -0.104) 5.633 19.600 ( -5.454 -4.119 0.037) 6.834 20.620 ( -2.259 -15.918 -0.363) 16.081 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 3.675 8.552 -0.296) 9.313 3.197 ( 1.492 8.192 0.014) 8.327 3.363 ( 12.373 11.888 -0.364) 17.163 3.775 ( 5.002 3.350 -0.440) 6.036 3.923 ( 4.807 3.362 0.294) 5.873 4.041 ( 4.256 1.344 0.341) 4.476 4.478 ( -7.386 26.508 -0.328) 27.520 5.190 ( 1.154 -0.849 -0.791) 1.637 5.682 ( 3.936 -3.913 0.434) 5.567 6.456 ( -9.819 16.154 0.607) 18.914 8.068 ( 14.146 6.951 0.622) 15.774 8.578 ( 18.875 -2.167 0.501) 19.006 13.219 ( -12.535 -4.473 0.088) 13.310 13.919 ( -18.300 -15.593 -0.164) 24.043 14.462 ( -5.795 -7.581 0.022) 9.542 17.384 ( -0.910 10.508 -0.107) 10.548 19.446 ( -4.210 -8.923 0.253) 9.869 20.406 ( -1.265 -19.015 -0.371) 19.061 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( -1.021 6.279 -0.412) 6.375 3.303 ( 0.362 6.903 0.207) 6.915 3.626 ( 7.600 5.663 -0.398) 9.487 3.892 ( 4.860 2.020 0.096) 5.264 4.000 ( 1.906 0.821 0.447) 2.123 4.092 ( 1.653 -1.023 -0.093) 1.946 4.563 ( -11.477 24.054 -0.332) 26.653 5.229 ( 3.603 -0.640 -0.565) 3.703 5.685 ( -0.204 -1.389 0.170) 1.414 6.416 ( -13.431 18.328 0.203) 22.723 8.359 ( 12.779 1.371 0.083) 12.853 8.812 ( 13.132 -7.157 0.607) 14.968 13.032 ( -7.335 1.899 0.131) 7.578 13.511 ( -9.842 -15.281 0.154) 18.177 14.335 ( -4.793 0.114 0.023) 4.794 17.466 ( -4.608 14.701 -0.100) 15.407 19.305 ( 0.706 -12.303 0.535) 12.335 20.227 ( 2.798 -18.182 -0.544) 18.404 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( -3.009 5.324 -0.428) 6.131 3.341 ( -2.853 4.870 0.244) 5.649 3.726 ( 0.408 0.196 -0.471) 0.653 3.941 ( -0.332 -1.938 0.760) 2.108 4.033 ( 1.477 0.792 -0.128) 1.681 4.089 ( 0.205 -1.985 0.050) 1.996 4.577 ( -13.004 22.111 -0.321) 25.653 5.268 ( 3.051 -4.101 -0.449) 5.131 5.663 ( -2.966 3.312 -0.073) 4.446 6.389 ( -11.559 20.144 0.007) 23.225 8.486 ( 3.573 -5.783 -0.093) 6.798 8.886 ( 6.075 -11.499 0.707) 13.024 12.988 ( -4.488 7.738 0.114) 8.946 13.337 ( 6.401 -10.771 0.292) 12.533 14.295 ( -2.383 4.099 0.013) 4.742 17.502 ( -8.753 15.238 -0.097) 17.573 19.250 ( 6.942 -11.608 0.659) 13.541 20.156 ( 8.654 -15.206 -0.626) 17.508 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( -4.930 3.969 -0.464) 6.346 3.304 ( -6.177 3.312 0.257) 7.013 3.636 ( -8.552 -3.811 -0.454) 9.374 3.871 ( -4.037 -2.869 0.230) 4.958 4.038 ( -1.135 -1.147 1.091) 1.948 4.066 ( -0.892 -2.408 -0.822) 2.697 4.555 ( -15.186 21.810 -0.326) 26.578 5.246 ( -0.822 -3.014 -0.589) 3.179 5.657 ( 0.615 -0.670 0.205) 0.933 6.417 ( -9.212 20.756 0.202) 22.709 8.364 ( -7.479 -10.550 0.075) 12.933 8.796 ( -1.145 -15.243 0.609) 15.298 13.033 ( 1.982 7.535 0.130) 7.793 13.517 ( 18.500 0.628 0.157) 18.511 14.335 ( 2.345 4.234 0.021) 4.840 17.467 ( -10.339 11.290 -0.099) 15.309 19.315 ( 10.480 -6.439 0.550) 12.312 20.221 ( 14.291 -11.662 -0.559) 18.454 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -0.000 31.842 1.894) 31.898 1.838 ( -0.000 26.889 0.847) 26.902 2.745 ( -0.000 6.723 -0.459) 6.738 2.815 ( -0.000 32.820 -1.519) 32.855 3.345 ( -0.000 16.657 2.997) 16.925 3.611 ( 0.000 0.433 -1.780) 1.831 3.696 ( -0.000 2.851 0.205) 2.858 5.113 ( 0.000 28.698 -4.157) 28.998 5.322 ( -0.000 8.012 -0.115) 8.012 5.464 ( 0.000 -0.448 -1.844) 1.898 6.971 ( -0.000 31.722 3.103) 31.873 8.136 ( -0.000 -11.166 5.490) 12.442 14.223 ( 0.000 -18.301 0.013) 18.301 15.707 ( 0.000 -29.388 -1.241) 29.415 15.733 ( 0.000 -22.080 -4.025) 22.444 17.268 ( 0.000 -1.746 -0.048) 1.747 19.470 ( -0.000 10.017 3.895) 10.748 20.716 ( 0.000 21.732 -9.144) 23.578 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 6.735 30.776 1.291) 31.531 2.233 ( 13.562 23.266 0.637) 26.937 2.837 ( 2.861 6.853 -0.425) 7.438 3.143 ( 4.109 25.278 -1.734) 25.668 3.527 ( 2.594 13.426 2.531) 13.906 3.607 ( -1.014 2.678 -1.057) 3.053 3.806 ( 7.707 5.341 0.124) 9.378 5.301 ( -1.142 13.042 -0.555) 13.104 5.387 ( -1.288 1.346 -1.381) 2.319 5.641 ( 11.574 19.256 -2.353) 22.590 7.305 ( 2.896 28.215 1.738) 28.417 8.024 ( -3.033 -7.358 5.088) 9.446 14.049 ( 1.017 -18.427 0.010) 18.455 15.322 ( -8.212 -29.380 -1.079) 30.525 15.457 ( -7.269 -20.639 -2.172) 21.990 17.243 ( -0.628 -0.808 -0.021) 1.023 19.610 ( 5.494 3.672 2.021) 6.910 20.833 ( -3.180 9.197 -4.402) 10.681 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 11.279 26.776 0.530) 29.060 2.684 ( 12.985 18.464 0.430) 22.577 2.970 ( 4.348 6.969 -0.377) 8.222 3.437 ( 5.913 16.249 -1.795) 17.384 3.631 ( 1.214 4.231 -0.823) 4.478 3.717 ( 3.830 10.854 2.449) 11.768 4.064 ( 12.566 11.281 0.085) 16.887 5.286 ( -1.983 -4.097 -0.394) 4.569 5.465 ( 0.578 10.032 -0.708) 10.074 6.060 ( 12.977 20.463 -1.331) 24.268 7.633 ( 7.394 19.264 0.649) 20.644 7.925 ( -4.790 0.090 4.103) 6.308 13.873 ( -2.177 -16.316 -0.051) 16.461 14.894 ( -8.452 -24.248 -0.784) 25.691 15.069 ( -13.088 -20.864 -0.961) 24.648 17.249 ( 1.126 1.615 -0.009) 1.969 19.692 ( 2.036 -1.876 0.458) 2.806 20.767 ( -6.704 -3.642 -1.409) 7.758 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 11.974 20.162 -0.107) 23.450 3.031 ( 8.460 14.533 0.356) 16.820 3.114 ( 4.160 7.136 -0.348) 8.267 3.632 ( 3.832 6.283 -1.111) 7.443 3.740 ( 4.325 8.221 -0.500) 9.303 3.880 ( 4.091 6.633 1.560) 7.947 4.447 ( 12.176 20.595 -0.019) 23.925 5.212 ( -1.742 -3.146 -0.618) 3.649 5.538 ( 0.969 1.665 0.129) 1.931 6.455 ( 9.861 17.977 -0.353) 20.507 7.897 ( -2.043 5.961 2.524) 6.788 7.948 ( 11.588 10.367 0.223) 15.550 13.626 ( -8.551 -14.607 -0.130) 16.926 14.591 ( -2.386 -18.282 -0.235) 18.438 14.598 ( -18.048 -17.125 -0.455) 24.884 17.319 ( 3.088 5.264 -0.021) 6.103 19.640 ( -3.520 -5.796 -0.210) 6.784 20.544 ( -7.955 -13.940 -0.213) 16.051 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 7.156 11.472 -0.256) 13.523 3.243 ( 2.627 7.527 -0.093) 7.973 3.309 ( 8.486 13.072 -0.046) 15.585 3.738 ( 3.486 4.035 -0.378) 5.346 3.887 ( 4.057 5.183 -0.084) 6.583 3.992 ( 3.347 2.583 0.561) 4.264 4.820 ( 1.522 25.682 -0.377) 25.730 5.184 ( 0.100 2.153 -0.334) 2.181 5.549 ( 4.139 -5.852 0.354) 7.176 6.726 ( 0.441 17.548 0.229) 17.555 7.988 ( 3.458 9.151 1.084) 9.843 8.239 ( 16.162 -0.754 0.170) 16.180 13.321 ( -9.668 -12.466 -0.054) 15.776 14.086 ( -18.460 -19.561 -0.034) 26.897 14.466 ( -1.540 -3.572 -0.103) 3.891 17.459 ( 4.079 10.140 -0.040) 10.930 19.467 ( -7.431 -9.111 -0.141) 11.758 20.248 ( -5.429 -20.675 -0.069) 21.376 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.333 ( 0.360 7.589 -0.403) 7.608 3.361 ( 2.052 7.837 0.220) 8.104 3.561 ( 7.394 7.910 -0.211) 10.830 3.835 ( 3.960 2.268 -0.068) 4.564 3.977 ( 2.328 2.032 0.433) 3.120 4.051 ( 2.102 -0.212 -0.138) 2.117 4.959 ( -6.962 15.848 -0.685) 17.323 5.224 ( -2.873 5.437 0.163) 6.152 5.638 ( 7.664 3.875 0.021) 8.588 6.825 ( -9.817 19.948 0.250) 22.235 8.173 ( 9.379 2.937 0.269) 9.832 8.475 ( 15.753 -8.010 0.346) 17.676 13.089 ( -4.298 -8.039 0.098) 9.116 13.598 ( -16.197 -16.876 0.129) 23.392 14.438 ( -3.280 5.093 -0.053) 6.058 17.648 ( 2.232 15.885 -0.089) 16.041 19.226 ( -6.825 -12.768 0.274) 14.480 19.978 ( 0.497 -23.350 -0.326) 23.357 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( -2.285 6.649 -0.346) 7.039 3.439 ( -1.540 6.613 0.213) 6.793 3.703 ( 3.154 2.137 -0.232) 3.816 3.903 ( 2.638 -1.201 0.289) 2.913 4.020 ( 1.176 1.153 0.168) 1.655 4.064 ( 0.614 -1.527 -0.066) 1.647 4.970 ( -8.280 14.342 -0.435) 16.566 5.199 ( -0.109 -2.309 -0.195) 2.319 5.799 ( -2.349 14.321 -0.030) 14.512 6.823 ( -13.471 21.907 0.057) 25.718 8.322 ( 8.016 -5.184 -0.040) 9.547 8.608 ( 11.371 -13.150 0.544) 17.393 13.040 ( 4.448 -1.667 0.193) 4.754 13.224 ( -9.103 -12.809 0.199) 15.715 14.438 ( -5.401 9.644 -0.061) 11.054 17.812 ( -5.296 19.606 -0.183) 20.309 19.029 ( 1.528 -14.737 0.613) 14.829 19.820 ( 7.895 -22.116 -0.522) 23.489 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( -4.570 5.366 -0.373) 7.059 3.440 ( -4.918 4.703 0.227) 6.808 3.707 ( -2.985 -1.633 -0.300) 3.416 3.893 ( -1.231 -2.875 0.435) 3.158 4.042 ( 0.171 0.167 -0.133) 0.273 4.048 ( -0.227 -2.028 0.156) 2.047 4.966 ( -8.632 14.419 -0.368) 16.809 5.204 ( 2.825 -1.260 -0.270) 3.105 5.791 ( -12.200 9.340 0.065) 15.365 6.823 ( -12.210 22.573 0.055) 25.663 8.323 ( 0.627 -9.631 -0.061) 9.652 8.602 ( 5.006 -16.692 0.627) 17.438 13.042 ( -0.757 -4.557 0.160) 4.622 13.223 ( 15.764 1.307 0.210) 15.819 14.438 ( -5.649 9.496 -0.058) 11.050 17.811 ( -14.292 14.258 -0.170) 20.188 19.037 ( 12.431 -8.171 0.522) 14.885 19.815 ( 14.967 -18.156 -0.475) 23.535 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -0.000 30.702 1.208) 30.726 2.337 ( -0.000 22.672 0.717) 22.683 2.875 ( -0.000 6.329 -0.350) 6.339 3.348 ( -0.000 21.581 -1.559) 21.637 3.613 ( -0.000 6.701 -0.042) 6.701 3.689 ( -0.000 10.375 1.163) 10.440 3.760 ( -0.000 3.422 0.230) 3.429 5.326 ( 0.000 -3.412 0.014) 3.412 5.487 ( -0.000 8.341 -0.152) 8.342 5.759 ( 0.000 26.542 -3.123) 26.725 7.544 ( -0.000 20.649 0.780) 20.663 8.036 ( -0.000 3.634 4.737) 5.970 13.833 ( 0.000 -20.415 0.032) 20.415 15.093 ( 0.000 -29.727 -1.066) 29.746 15.313 ( 0.000 -20.646 -1.202) 20.681 17.233 ( 0.000 -1.703 -0.041) 1.703 19.601 ( -0.000 2.837 1.191) 3.077 20.927 ( 0.000 3.060 -2.620) 4.028 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 4.388 28.257 0.838) 28.608 2.652 ( 10.447 18.500 0.541) 21.253 2.965 ( 3.277 6.035 -0.275) 6.873 3.534 ( 0.756 14.011 -1.351) 14.097 3.672 ( 0.275 7.015 -0.815) 7.068 3.794 ( 0.903 10.559 2.052) 10.794 3.921 ( 11.619 6.008 0.070) 13.081 5.274 ( -1.368 -4.090 -0.153) 4.316 5.572 ( -0.193 8.729 -0.149) 8.732 6.057 ( 7.914 18.253 -1.680) 19.966 7.700 ( 1.541 9.500 0.509) 9.638 8.119 ( -4.568 17.745 3.289) 18.616 13.666 ( 3.459 -19.515 -0.003) 19.819 14.751 ( -5.306 -27.403 -0.797) 27.923 15.046 ( -7.047 -19.727 -0.603) 20.957 17.233 ( 1.721 -0.210 -0.025) 1.734 19.635 ( 1.651 -1.274 0.298) 2.106 20.860 ( -6.814 -4.087 -1.022) 8.012 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 6.428 21.104 0.280) 22.063 3.007 ( 10.447 14.742 0.358) 18.072 3.099 ( 5.000 6.252 -0.212) 8.008 3.648 ( 1.567 6.587 -0.641) 6.801 3.778 ( 1.737 9.745 -0.964) 9.945 3.912 ( 1.166 7.702 1.620) 7.956 4.289 ( 21.281 10.745 0.183) 23.841 5.210 ( -1.601 -2.828 -0.376) 3.271 5.616 ( -3.632 5.214 0.214) 6.357 6.384 ( 13.701 10.566 -0.684) 17.315 7.830 ( 3.980 7.954 0.425) 8.905 8.207 ( -8.214 19.942 1.739) 21.637 13.531 ( 0.779 -17.205 -0.127) 17.223 14.408 ( -3.366 -24.723 -0.312) 24.953 14.700 ( -11.213 -15.166 -0.338) 18.864 17.301 ( 4.444 3.536 -0.004) 5.679 19.606 ( -0.983 -6.439 -0.291) 6.520 20.616 ( -12.620 -10.227 -0.093) 16.244 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 6.618 11.742 0.093) 13.479 3.246 ( 5.003 6.142 -0.335) 7.929 3.307 ( 7.345 13.916 0.210) 15.737 3.735 ( 1.987 4.976 -0.122) 5.360 3.893 ( 1.955 6.498 -0.680) 6.820 3.989 ( 0.855 3.894 0.867) 4.080 4.814 ( 21.641 13.720 0.213) 25.625 5.187 ( 2.060 1.599 -0.530) 2.661 5.548 ( -7.084 0.408 0.501) 7.113 6.730 ( 14.566 9.253 -0.187) 17.258 7.996 ( 5.932 7.291 0.314) 9.404 8.233 ( -8.468 13.887 0.724) 16.281 13.322 ( -6.082 -14.528 -0.178) 15.751 14.085 ( -7.615 -25.639 0.001) 26.746 14.467 ( -2.440 -3.184 -0.148) 4.014 17.458 ( 6.786 8.571 0.017) 10.932 19.470 ( -4.477 -10.726 -0.483) 11.633 20.244 ( -14.952 -15.264 0.244) 21.368 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 5.154 7.104 0.271) 8.780 3.379 ( 3.024 7.039 -0.410) 7.672 3.535 ( 5.420 9.287 -0.023) 10.753 3.809 ( 1.808 3.007 0.022) 3.509 3.969 ( 1.542 3.193 -0.050) 3.546 4.027 ( 0.767 0.975 0.122) 1.246 5.056 ( 1.287 1.753 -0.292) 2.195 5.399 ( -4.226 -6.440 0.320) 7.709 5.519 ( 14.544 24.406 -0.044) 28.411 7.040 ( 7.494 13.155 0.038) 15.140 8.153 ( 2.940 5.525 0.353) 6.269 8.215 ( 0.165 -0.078 0.096) 0.206 13.080 ( -6.095 -10.441 -0.053) 12.090 13.661 ( -12.536 -21.650 0.057) 25.018 14.502 ( 2.923 5.034 -0.029) 5.821 17.703 ( 8.248 14.214 0.016) 16.434 19.247 ( -7.534 -12.608 -0.285) 14.690 19.830 ( -11.513 -20.313 0.146) 23.349 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( 0.252 6.317 -0.242) 6.327 3.508 ( 1.827 6.745 0.188) 6.991 3.673 ( 3.119 3.496 -0.084) 4.686 3.849 ( 1.604 -1.014 0.044) 1.898 4.016 ( 1.061 1.790 0.428) 2.124 4.041 ( 0.664 -0.409 -0.335) 0.848 5.083 ( 0.752 2.092 -0.325) 2.246 5.253 ( -5.818 -3.377 0.104) 6.728 5.979 ( 6.914 24.799 -0.073) 25.745 7.221 ( -5.340 18.806 0.066) 19.549 8.168 ( 1.967 -3.921 -0.047) 4.387 8.285 ( 9.758 -10.082 0.322) 14.035 12.943 ( 0.181 -5.663 0.078) 5.666 13.268 ( -10.489 -15.486 0.097) 18.704 14.608 ( -0.548 10.068 -0.033) 10.083 18.009 ( 6.345 20.163 -0.098) 21.138 18.970 ( -9.570 -12.234 0.289) 15.535 19.491 ( -0.104 -24.958 -0.260) 24.960 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.507 ( -3.027 5.429 -0.280) 6.222 3.561 ( -2.926 5.110 0.231) 5.893 3.716 ( 0.207 -0.302 -0.114) 0.384 3.854 ( 1.796 -3.433 0.145) 3.877 4.035 ( -0.042 -0.547 0.233) 0.596 4.046 ( 0.117 0.528 -0.169) 0.567 5.133 ( -0.171 3.841 -0.090) 3.846 5.149 ( -0.888 -2.067 -0.242) 2.263 6.175 ( -11.032 19.115 -0.051) 22.070 7.257 ( -11.874 20.492 0.021) 23.683 8.169 ( 5.086 -8.972 -0.090) 10.313 8.317 ( 8.520 -15.221 0.448) 17.449 12.961 ( 3.466 -5.670 0.126) 6.647 13.049 ( 2.214 -4.239 0.119) 4.784 14.656 ( -5.882 10.172 -0.039) 11.750 18.214 ( -11.394 19.178 -0.293) 22.310 18.781 ( 5.551 -8.134 0.600) 9.865 19.359 ( 13.043 -23.271 -0.393) 26.680 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( -0.000 17.264 0.503) 17.271 2.800 ( -0.000 27.057 0.837) 27.070 2.989 ( -0.000 5.176 -0.157) 5.179 3.653 ( -0.000 9.189 -0.635) 9.211 3.755 ( -0.000 10.137 -1.071) 10.193 3.833 ( -0.000 3.713 0.243) 3.721 3.908 ( -0.000 9.234 1.526) 9.359 5.249 ( 0.000 -3.268 0.096) 3.270 5.645 ( -0.000 7.384 -0.161) 7.386 6.130 ( 0.000 8.681 -1.070) 8.746 7.790 ( -0.000 11.595 0.299) 11.599 8.377 ( -0.000 22.410 2.141) 22.512 13.430 ( 0.000 -19.477 0.047) 19.477 14.526 ( 0.000 -26.510 -0.751) 26.521 14.911 ( 0.000 -18.973 -0.295) 18.975 17.202 ( 0.000 -1.391 -0.038) 1.391 19.616 ( 0.000 -1.104 -0.046) 1.105 20.869 ( 0.000 -6.977 -0.405) 6.989 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 6.595 12.834 0.357) 14.433 3.050 ( 2.564 11.404 0.065) 11.689 3.099 ( 4.010 16.559 0.331) 17.041 3.706 ( -0.954 6.381 -0.112) 6.453 3.857 ( 0.309 9.402 -1.269) 9.493 3.978 ( 2.185 7.090 1.614) 7.592 4.036 ( 13.527 5.337 0.072) 14.542 5.212 ( -1.283 -1.588 0.024) 2.041 5.710 ( -1.114 5.157 0.119) 5.277 6.233 ( 8.784 -0.215 -0.517) 8.801 7.928 ( -0.328 15.948 -0.068) 15.951 8.545 ( -5.966 20.254 1.298) 21.155 13.294 ( 4.989 -17.172 0.001) 17.882 14.232 ( -4.169 -24.119 -0.503) 24.482 14.684 ( -5.205 -16.059 -0.172) 16.882 17.234 ( 4.903 0.338 -0.026) 4.914 19.580 ( -2.047 -3.715 -0.366) 4.257 20.712 ( -8.519 -9.474 0.099) 12.741 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 5.518 7.142 0.421) 9.035 3.200 ( 6.495 5.755 -0.322) 8.683 3.357 ( 4.280 16.783 0.155) 17.321 3.768 ( 0.607 6.069 0.220) 6.103 3.938 ( 0.236 6.158 -1.170) 6.273 4.035 ( -0.836 4.107 1.046) 4.320 4.470 ( 26.534 6.811 0.384) 27.397 5.185 ( -0.835 0.655 -0.229) 1.086 5.680 ( -5.424 1.306 0.534) 5.604 6.466 ( 18.619 -0.720 -0.332) 18.636 8.076 ( -1.123 15.355 -0.194) 15.397 8.576 ( -11.284 15.656 0.674) 19.310 13.221 ( 2.436 -13.079 -0.130) 13.304 13.920 ( -4.372 -23.404 -0.194) 23.810 14.463 ( -3.761 -8.875 -0.096) 9.640 17.383 ( 9.548 4.468 0.011) 10.542 19.455 ( -5.745 -7.917 -0.549) 9.797 20.398 ( -15.738 -10.778 0.371) 19.079 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( 6.422 4.209 0.288) 7.684 3.364 ( 5.796 5.594 -0.274) 8.060 3.559 ( 3.200 10.369 0.031) 10.851 3.833 ( 0.145 4.638 0.252) 4.647 3.985 ( 0.329 3.124 -0.817) 3.245 4.046 ( -1.136 1.641 0.582) 2.079 4.951 ( 17.142 1.925 0.539) 17.258 5.228 ( 6.441 0.064 -0.487) 6.460 5.634 ( -0.445 8.593 0.505) 8.619 6.828 ( 22.073 1.381 -0.159) 22.117 8.175 ( -2.235 9.418 -0.102) 9.680 8.476 ( -14.795 9.876 0.203) 17.790 13.091 ( -4.865 -7.695 -0.175) 9.105 13.599 ( -6.537 -22.404 -0.072) 23.338 14.437 ( 6.029 -0.317 0.014) 6.037 17.647 ( 12.645 9.829 0.075) 16.015 19.232 ( -7.780 -12.132 -0.592) 14.425 19.973 ( -20.351 -11.363 0.443) 23.312 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.471 ( 5.411 3.364 0.167) 6.373 3.510 ( 4.880 4.969 -0.183) 6.967 3.672 ( 1.494 4.432 0.053) 4.677 3.849 ( -1.671 0.916 0.018) 1.905 4.018 ( 0.935 1.885 -0.296) 2.125 4.039 ( -0.651 0.303 0.221) 0.751 5.081 ( 1.574 1.698 0.111) 2.318 5.253 ( -0.047 -6.797 0.080) 6.797 5.978 ( 18.056 18.393 0.058) 25.775 7.221 ( 18.927 4.767 -0.037) 19.518 8.168 ( -4.431 -0.288 0.096) 4.441 8.286 ( -13.619 3.490 -0.141) 14.060 12.943 ( -5.041 -2.649 -0.091) 5.695 13.268 ( -8.199 -16.811 -0.039) 18.704 14.607 ( 9.009 4.553 0.026) 10.094 18.008 ( 14.326 15.512 0.131) 21.115 18.972 ( -5.951 -14.258 -0.504) 15.459 19.489 ( -21.452 -12.660 0.366) 24.912 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.573 ( 2.020 3.498 -0.000) 4.039 3.612 ( 1.493 2.586 -0.000) 2.986 3.718 ( 1.179 2.043 -0.000) 2.359 3.801 ( -1.839 -3.186 -0.000) 3.678 4.033 ( -0.143 -0.248 -0.000) 0.286 4.048 ( 0.587 1.017 0.000) 1.174 5.117 ( 1.067 1.848 -0.000) 2.134 5.177 ( -1.904 -3.298 -0.000) 3.808 6.394 ( 7.592 13.149 -0.000) 15.183 7.521 ( 5.368 9.298 -0.000) 10.737 8.050 ( -2.385 -4.131 -0.000) 4.770 8.120 ( -3.878 -6.717 -0.000) 7.757 12.894 ( 0.594 1.029 -0.000) 1.188 13.014 ( -5.343 -9.255 -0.000) 10.687 14.769 ( 2.781 4.817 -0.000) 5.562 18.436 ( 12.618 21.856 -0.000) 25.237 18.769 ( -4.896 -8.479 -0.000) 9.791 19.017 ( -11.643 -20.167 -0.000) 23.286 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( -0.000 11.100 0.155) 11.101 3.077 ( -0.000 3.673 0.134) 3.676 3.283 ( -0.000 20.653 0.380) 20.656 3.796 ( -0.000 6.646 0.393) 6.658 3.907 ( -0.000 3.504 0.248) 3.513 3.937 ( 0.000 7.315 -1.392) 7.447 4.057 ( -0.000 5.181 1.133) 5.303 5.220 ( -0.000 0.729 0.338) 0.803 5.773 ( -0.000 5.429 -0.138) 5.431 6.097 ( 0.000 -9.554 -0.116) 9.555 8.115 ( -0.000 19.203 -0.341) 19.206 8.790 ( -0.000 17.233 0.800) 17.251 13.079 ( 0.000 -15.357 0.058) 15.357 14.048 ( 0.000 -20.738 -0.523) 20.745 14.571 ( 0.000 -14.692 -0.098) 14.692 17.178 ( 0.000 -0.931 -0.037) 0.932 19.576 ( 0.000 -2.391 -0.486) 2.440 20.694 ( 0.000 -9.454 0.325) 9.459 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( 3.465 2.959 0.226) 4.562 3.162 ( 4.561 7.121 -0.010) 8.457 3.477 ( 1.209 15.509 0.133) 15.556 3.835 ( -0.999 6.545 0.513) 6.641 3.991 ( -0.296 4.355 -1.356) 4.571 4.085 ( 1.696 3.027 1.006) 3.613 4.128 ( 15.465 3.793 0.246) 15.925 5.226 ( -1.634 3.116 0.270) 3.528 5.762 ( -4.451 -0.867 0.303) 4.544 6.132 ( 14.731 -6.768 -0.227) 16.213 8.281 ( -2.316 17.171 -0.334) 17.329 8.882 ( -6.764 12.820 0.326) 14.499 13.004 ( 6.435 -11.561 0.011) 13.231 13.808 ( -5.608 -17.591 -0.388) 18.467 14.418 ( -2.194 -10.388 -0.083) 10.617 17.244 ( 8.111 0.545 -0.018) 8.130 19.503 ( -5.433 -3.487 -0.579) 6.482 20.524 ( -9.162 -8.581 0.482) 12.562 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( 5.971 2.255 0.303) 6.390 3.306 ( 5.811 3.784 -0.157) 6.937 3.623 ( 1.170 9.358 0.081) 9.431 3.890 ( -0.551 5.593 0.395) 5.634 4.010 ( -0.427 1.767 -1.065) 2.106 4.088 ( -1.685 1.071 0.548) 2.071 4.558 ( 26.467 2.139 0.404) 26.557 5.225 ( -2.092 2.784 0.028) 3.482 5.683 ( -1.124 -0.921 0.478) 1.530 6.418 ( 22.554 -2.673 -0.171) 22.712 8.361 ( -5.231 11.559 -0.165) 12.689 8.816 ( -12.783 8.033 -0.087) 15.098 13.034 ( 5.396 -5.414 -0.114) 7.645 13.514 ( -8.362 -16.071 -0.246) 18.118 14.336 ( 2.419 -4.109 -0.016) 4.768 17.465 ( 14.988 3.354 0.049) 15.359 19.312 ( -11.042 -5.483 -0.621) 12.344 20.220 ( -17.090 -6.718 0.538) 18.371 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( 6.923 1.340 0.292) 7.058 3.440 ( 6.500 1.974 -0.193) 6.796 3.702 ( 0.313 3.765 0.146) 3.781 3.904 ( -2.395 1.855 -0.129) 3.033 4.022 ( 0.404 1.329 -0.326) 1.427 4.063 ( -1.642 -0.069 0.175) 1.652 4.967 ( 16.565 0.091 0.420) 16.571 5.198 ( -1.890 -1.393 0.099) 2.350 5.799 ( 13.609 5.185 0.122) 14.564 6.824 ( 25.702 -0.754 -0.051) 25.713 8.322 ( -8.514 4.300 0.020) 9.538 8.611 ( -17.096 3.361 -0.381) 17.427 13.041 ( -3.669 3.025 -0.198) 4.760 13.225 ( -6.573 -14.277 -0.159) 15.718 14.438 ( 11.045 0.142 0.055) 11.046 17.811 ( 19.594 5.195 0.167) 20.272 19.033 ( -13.535 -6.026 -0.629) 14.829 19.817 ( -23.065 -4.229 0.508) 23.455 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( -0.000 1.951 0.258) 1.968 3.186 ( -0.000 5.152 -0.038) 5.152 3.604 ( -0.000 11.108 0.162) 11.109 3.929 ( -0.000 6.224 0.661) 6.259 3.967 ( -0.000 2.235 0.243) 2.248 4.024 ( 0.000 1.915 -1.362) 2.350 4.126 ( -0.000 1.572 0.601) 1.683 5.294 ( -0.000 6.570 0.553) 6.593 5.840 ( 0.000 -14.475 0.165) 14.476 5.856 ( -0.000 2.866 -0.103) 2.868 8.459 ( -0.000 13.636 -0.238) 13.639 9.048 ( -0.000 8.405 -0.080) 8.405 12.838 ( 0.000 -8.510 0.060) 8.511 13.719 ( 0.000 -11.551 -0.408) 11.558 14.340 ( 0.000 -8.111 -0.105) 8.112 17.164 ( 0.000 -0.432 -0.032) 0.434 19.531 ( 0.000 -1.625 -0.615) 1.738 20.531 ( 0.000 -6.349 0.578) 6.375 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 3.685 1.040 0.376) 3.847 3.253 ( 3.393 2.182 -0.188) 4.038 3.690 ( 0.182 5.673 0.336) 5.686 3.955 ( -0.904 4.160 0.036) 4.257 4.024 ( -0.282 0.276 -0.730) 0.830 4.113 ( 1.243 -0.132 0.167) 1.261 4.183 ( 15.519 1.381 0.309) 15.584 5.326 ( -4.318 5.540 0.405) 7.036 5.669 ( -1.543 -6.634 0.335) 6.820 6.048 ( 16.544 -1.418 -0.074) 16.605 8.536 ( -3.367 7.311 -0.044) 8.050 9.048 ( -6.931 3.849 -0.444) 7.941 12.847 ( 7.868 -4.020 0.010) 8.835 13.559 ( -7.939 -6.520 -0.339) 10.278 14.277 ( 0.095 -3.611 -0.098) 3.613 17.252 ( 10.198 0.292 0.002) 10.202 19.450 ( -7.581 -1.299 -0.631) 7.717 20.402 ( -9.318 -3.435 0.617) 9.950 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 6.138 0.044 0.394) 6.151 3.342 ( 5.633 -0.025 -0.224) 5.637 3.723 ( 0.036 0.408 0.427) 0.591 3.946 ( -1.607 -1.218 -0.740) 2.148 4.032 ( -0.064 1.637 0.204) 1.651 4.089 ( -1.785 -0.776 -0.083) 1.948 4.575 ( 25.617 -0.190 0.295) 25.619 5.265 ( -5.036 0.549 0.411) 5.082 5.663 ( 4.396 -0.844 0.068) 4.477 6.389 ( 23.228 0.057 -0.007) 23.228 8.485 ( -6.793 0.185 0.084) 6.796 8.890 ( -13.020 -0.449 -0.650) 13.044 12.989 ( 8.986 -0.017 -0.106) 8.987 13.339 ( -12.544 0.146 -0.271) 12.548 14.295 ( 4.701 -0.013 -0.011) 4.701 17.502 ( 17.539 0.036 0.090) 17.539 19.254 ( -13.530 0.194 -0.618) 13.546 20.152 ( -17.470 -0.102 0.589) 17.480 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( -0.000 0.104 0.464) 0.476 3.234 ( 0.000 -0.133 -0.272) 0.303 3.722 ( -0.000 0.544 0.647) 0.845 3.990 ( -0.000 -0.105 0.220) 0.244 3.995 ( 0.000 -2.352 -1.227) 2.653 4.038 ( -0.000 2.378 0.167) 2.384 4.136 ( -0.000 -0.556 0.194) 0.589 5.432 ( -0.000 0.841 0.619) 1.045 5.619 ( -0.000 -1.259 0.202) 1.275 5.885 ( 0.000 0.038 -0.079) 0.087 8.605 ( -0.000 0.274 0.091) 0.289 9.124 ( 0.000 -0.513 -0.715) 0.879 12.751 ( -0.000 -0.062 0.044) 0.076 13.603 ( 0.000 0.292 -0.305) 0.422 14.257 ( 0.000 -0.040 -0.154) 0.159 17.161 ( 0.000 0.055 -0.013) 0.056 19.512 ( 0.000 0.120 -0.640) 0.651 20.467 ( -0.000 -0.061 0.660) 0.663 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 3.627 -0.900 0.489) 3.769 3.251 ( 3.479 -2.347 -0.287) 4.207 3.701 ( 0.098 -5.055 0.655) 5.099 3.932 ( -0.913 -4.491 -0.637) 4.627 4.051 ( -0.296 0.791 -0.228) 0.875 4.098 ( 1.371 -1.107 0.019) 1.762 4.181 ( 15.493 -1.667 0.268) 15.585 5.339 ( -4.282 -4.926 0.745) 6.569 5.651 ( -1.574 5.414 -0.137) 5.639 6.049 ( 16.575 1.364 -0.056) 16.631 8.541 ( -3.418 -6.987 0.085) 7.778 9.036 ( -6.889 -4.726 -0.771) 8.390 12.846 ( 7.872 3.923 -0.017) 8.795 13.563 ( -8.023 7.029 -0.237) 10.669 14.276 ( 0.134 3.572 -0.124) 3.577 17.254 ( 10.204 -0.190 0.031) 10.205 19.450 ( -7.538 1.561 -0.627) 7.723 20.403 ( -9.350 3.308 0.648) 9.939 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -0.000 -1.776 0.528) 1.853 3.179 ( 0.000 -5.376 -0.291) 5.384 3.620 ( 0.000 -11.247 0.610) 11.264 3.908 ( 0.000 -5.084 -0.167) 5.087 3.965 ( 0.000 -2.427 0.183) 2.434 4.049 ( 0.000 -1.493 -1.017) 1.807 4.106 ( -0.000 -2.895 0.628) 2.962 5.311 ( -0.000 -6.358 1.046) 6.443 5.814 ( -0.000 13.652 -0.562) 13.664 5.857 ( 0.000 -2.801 -0.083) 2.802 8.466 ( 0.000 -13.707 -0.068) 13.707 9.026 ( 0.000 -9.082 -0.673) 9.107 12.835 ( -0.000 8.395 0.006) 8.395 13.728 ( -0.000 12.170 -0.158) 12.171 14.338 ( -0.000 8.116 -0.166) 8.118 17.166 ( -0.000 0.537 0.022) 0.538 19.530 ( 0.000 1.811 -0.630) 1.917 20.535 ( -0.000 6.296 0.658) 6.330 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.189 ( -0.000 0.000 5.798) 5.798 0.189 ( -0.000 0.000 5.798) 5.798 0.369 ( -0.000 0.000 15.660) 15.660 2.487 ( 0.000 -0.000 -0.507) 0.507 2.487 ( 0.000 -0.000 -0.507) 0.507 3.605 ( -0.000 0.000 0.151) 0.151 3.605 ( -0.000 0.000 0.151) 0.151 3.937 ( 0.000 -0.000 -3.567) 3.567 5.042 ( 0.000 -0.000 -0.041) 0.041 5.042 ( 0.000 -0.000 -0.041) 0.041 6.175 ( 0.000 -0.000 -2.569) 2.569 8.661 ( -0.000 0.000 8.722) 8.722 14.827 ( 0.000 -0.000 -0.081) 0.081 14.827 ( 0.000 -0.000 -0.081) 0.081 17.135 ( -0.000 0.000 1.167) 1.167 17.334 ( 0.000 -0.000 -0.004) 0.004 17.334 ( 0.000 -0.000 -0.004) 0.004 19.418 ( 0.000 -0.000 -3.417) 3.417 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 13.019 7.516 9.938) 18.021 0.686 ( 26.428 15.258 1.512) 30.553 1.082 ( 44.621 25.762 0.743) 51.529 2.521 ( 2.967 1.713 -0.484) 3.460 2.642 ( 11.813 6.820 0.714) 13.659 3.616 ( 0.928 0.536 0.151) 1.082 3.724 ( -2.085 -1.204 -4.126) 4.777 4.085 ( 17.170 9.913 -8.208) 21.458 5.077 ( 2.977 1.719 -0.039) 3.438 5.223 ( 12.559 7.251 -0.608) 14.515 6.160 ( 3.532 2.039 3.477) 5.359 8.558 ( -7.678 -4.433 6.753) 11.145 14.752 ( -6.389 -3.689 -0.042) 7.377 16.140 ( 22.802 13.165 -32.731) 42.007 17.028 ( -22.938 -13.243 -0.601) 26.493 17.328 ( -0.624 -0.360 -0.038) 0.721 18.016 ( 83.463 48.187 -21.708) 98.789 19.417 ( 2.553 1.474 -4.942) 5.755 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 24.900 14.376 3.584) 28.975 1.292 ( 25.663 14.816 0.677) 29.641 2.054 ( 38.841 22.425 -0.716) 44.855 2.615 ( 5.082 2.934 -0.441) 5.884 2.972 ( 15.480 8.937 2.786) 18.091 3.643 ( -2.613 -1.509 -2.467) 3.898 3.648 ( 1.796 1.037 0.153) 2.079 4.533 ( 22.690 13.100 -7.040) 27.130 5.175 ( 5.420 3.129 -0.028) 6.258 5.440 ( 4.500 2.598 -1.293) 5.354 6.431 ( 19.366 11.181 4.183) 22.750 8.367 ( -9.760 -5.635 5.482) 12.533 14.539 ( -11.885 -6.862 0.054) 13.724 16.064 ( -12.724 -7.346 -9.295) 17.386 16.413 ( -28.030 -16.183 -2.861) 32.493 17.306 ( -1.202 -0.694 -0.119) 1.393 19.379 ( 14.531 8.390 10.144) 19.607 19.806 ( 46.761 26.997 -27.102) 60.415 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 27.728 16.009 1.028) 32.034 1.857 ( 23.151 13.366 0.347) 26.734 2.743 ( 5.897 3.405 -0.405) 6.821 2.831 ( 28.651 16.541 -2.043) 33.146 3.329 ( 14.398 8.313 3.613) 17.013 3.613 ( 0.465 0.269 -1.899) 1.973 3.698 ( 2.513 1.451 0.148) 2.906 5.098 ( 26.989 15.582 -3.829) 31.398 5.318 ( 6.894 3.980 -0.005) 7.960 5.446 ( -2.474 -1.428 -1.207) 3.101 6.984 ( 25.717 14.847 2.711) 29.818 8.156 ( -8.691 -5.018 4.930) 11.181 14.217 ( -15.833 -9.141 0.156) 18.284 15.665 ( -21.359 -12.331 -1.323) 24.698 15.792 ( -23.656 -13.658 -4.390) 27.667 17.274 ( -1.527 -0.882 -0.202) 1.775 19.549 ( 4.312 2.489 2.453) 5.550 20.619 ( 23.451 13.540 -7.251) 28.033 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 26.562 15.336 -0.079) 30.671 2.349 ( 19.451 11.230 0.184) 22.461 2.876 ( 5.602 3.234 -0.399) 6.480 3.365 ( 18.572 10.722 -2.421) 21.581 3.603 ( 6.553 3.783 1.011) 7.634 3.687 ( 8.386 4.842 0.839) 9.719 3.763 ( 3.012 1.739 0.122) 3.480 5.358 ( -4.052 -2.340 -1.406) 4.886 5.483 ( 7.212 4.164 0.026) 8.328 5.707 ( 24.138 13.936 -0.872) 27.886 7.510 ( 16.418 9.479 2.317) 19.098 8.074 ( 4.423 2.553 2.954) 5.900 13.828 ( -17.611 -10.168 0.209) 20.337 15.097 ( -25.592 -14.776 -1.209) 29.576 15.319 ( -18.627 -10.754 -1.513) 21.562 17.237 ( -1.542 -0.890 -0.235) 1.796 19.614 ( 1.096 0.633 0.670) 1.432 20.907 ( 4.111 2.374 -1.776) 5.068 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 14.732 8.505 0.137) 17.011 2.820 ( 23.163 13.373 -0.529) 26.751 2.993 ( 4.616 2.665 -0.425) 5.347 3.676 ( 7.905 4.564 -2.220) 9.394 3.737 ( 8.233 4.753 0.396) 9.515 3.836 ( 3.274 1.890 0.053) 3.781 3.909 ( 8.536 4.928 1.420) 9.959 5.270 ( -2.933 -1.694 -1.345) 3.644 5.641 ( 6.409 3.700 0.056) 7.400 6.099 ( 7.934 4.581 1.024) 9.218 7.766 ( 10.851 6.265 1.819) 12.661 8.397 ( 18.574 10.724 0.876) 21.465 13.428 ( -16.783 -9.690 0.182) 19.381 14.529 ( -23.234 -13.414 -0.906) 26.843 14.910 ( -16.592 -9.579 -0.223) 19.160 17.204 ( -1.284 -0.741 -0.198) 1.496 19.609 ( -1.381 -0.797 0.374) 1.638 20.872 ( -5.541 -3.199 -0.616) 6.427 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( 9.337 5.390 0.199) 10.783 3.084 ( 3.373 1.947 -0.480) 3.924 3.292 ( 17.585 10.153 -0.570) 20.314 3.810 ( 5.606 3.237 -0.902) 6.536 3.910 ( 3.085 1.781 -0.064) 3.563 3.919 ( 6.075 3.507 0.471) 7.031 4.064 ( 4.726 2.728 0.405) 5.472 5.236 ( 0.601 0.347 -1.232) 1.414 5.771 ( 4.721 2.726 0.075) 5.452 6.082 ( -7.730 -4.463 1.365) 9.029 8.105 ( 16.945 9.783 0.585) 19.575 8.792 ( 14.529 8.389 0.573) 16.787 13.078 ( -13.238 -7.643 0.092) 15.286 14.046 ( -18.173 -10.492 -0.307) 20.987 14.569 ( -12.750 -7.361 0.109) 14.722 17.179 ( -0.862 -0.497 -0.110) 1.001 19.565 ( -2.189 -1.264 0.477) 2.572 20.703 ( -8.026 -4.634 -0.541) 9.283 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 1.805 1.042 -0.431) 2.128 3.184 ( 4.306 2.486 0.198) 4.976 3.608 ( 9.682 5.590 -0.548) 11.194 3.935 ( 4.976 2.873 -0.134) 5.747 3.970 ( 1.952 1.127 -0.186) 2.262 4.009 ( 1.782 1.029 0.778) 2.199 4.131 ( 1.304 0.753 -0.139) 1.513 5.305 ( 5.576 3.219 -1.021) 6.519 5.837 ( -12.151 -7.016 0.517) 14.041 5.855 ( 2.494 1.440 0.083) 2.881 8.457 ( 11.999 6.928 0.077) 13.856 9.043 ( 7.048 4.069 0.669) 8.166 12.838 ( -7.349 -4.243 -0.006) 8.486 13.715 ( -10.069 -5.813 0.157) 11.628 14.339 ( -7.032 -4.060 0.167) 8.121 17.164 ( -0.393 -0.227 -0.022) 0.455 19.522 ( -1.427 -0.824 0.618) 1.760 20.539 ( -5.462 -3.153 -0.646) 6.340 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 0.106 0.061 -0.503) 0.518 3.232 ( -0.133 -0.077 0.295) 0.333 3.726 ( 0.523 0.302 -0.709) 0.932 3.987 ( -1.888 -1.090 1.192) 2.484 3.992 ( -0.099 -0.057 -0.237) 0.263 4.039 ( 1.845 1.065 0.018) 2.131 4.137 ( -0.466 -0.269 -0.263) 0.599 5.436 ( 0.785 0.453 -0.671) 1.128 5.620 ( -1.180 -0.682 -0.217) 1.380 5.884 ( 0.035 0.020 0.085) 0.094 8.606 ( 0.260 0.150 -0.101) 0.316 9.119 ( -0.483 -0.279 0.778) 0.957 12.751 ( -0.058 -0.033 -0.048) 0.082 13.601 ( 0.273 0.158 0.326) 0.454 14.256 ( -0.037 -0.021 0.169) 0.174 17.160 ( 0.051 0.030 0.014) 0.061 19.508 ( 0.112 0.064 0.681) 0.693 20.471 ( -0.056 -0.032 -0.702) 0.705 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -0.000 13.465 10.340) 16.977 0.666 ( -0.000 30.310 1.789) 30.363 1.098 ( -0.000 50.547 0.649) 50.552 2.522 ( 0.000 3.513 -0.488) 3.546 2.648 ( -0.000 14.320 0.539) 14.330 3.616 ( -0.000 1.042 0.150) 1.052 3.720 ( 0.000 -2.045 -4.069) 4.554 4.075 ( 0.000 20.427 -7.985) 21.932 5.078 ( -0.000 3.516 -0.057) 3.516 5.211 ( -0.000 14.238 -0.115) 14.238 6.147 ( -0.000 2.558 3.702) 4.500 8.572 ( -0.000 -9.195 6.608) 11.323 14.755 ( 0.000 -7.230 -0.080) 7.231 16.074 ( 0.000 31.216 -31.246) 44.167 17.015 ( 0.000 -28.601 -0.238) 28.602 17.324 ( 0.000 -0.875 0.004) 0.875 17.900 ( 0.000 82.820 -13.249) 83.874 19.494 ( 0.000 13.892 -8.723) 16.404 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 13.538 21.264 5.243) 25.747 1.182 ( 17.195 27.809 1.003) 32.711 1.785 ( 22.610 39.350 -0.379) 45.385 2.588 ( 2.717 4.949 -0.451) 5.664 2.885 ( 8.473 15.545 2.123) 17.831 3.647 ( 1.504 2.355 0.131) 2.797 3.652 ( -2.237 -3.498 -2.628) 4.914 4.381 ( 11.284 21.193 -7.450) 25.139 5.178 ( 4.007 7.376 -0.377) 8.403 5.383 ( 4.307 7.222 -0.867) 8.453 6.303 ( 9.535 13.058 4.616) 16.815 8.436 ( -5.440 -9.675 5.308) 12.303 14.622 ( -5.637 -9.344 -0.009) 10.912 16.109 ( -4.760 -7.196 -12.905) 15.523 16.560 ( -15.581 -29.961 -1.454) 33.801 17.293 ( -0.770 -1.759 0.004) 1.920 19.076 ( 38.184 40.119 1.273) 55.400 19.679 ( 3.873 34.463 -21.164) 40.627 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 22.000 22.142 1.940) 31.274 1.743 ( 15.843 26.506 0.369) 30.882 2.542 ( 25.654 25.242 -1.486) 36.021 2.705 ( 4.496 6.338 -0.406) 7.781 3.212 ( 11.392 12.976 3.218) 17.564 3.596 ( -0.401 -1.531 -1.968) 2.525 3.713 ( 1.653 5.323 0.082) 5.575 4.833 ( 19.157 18.209 -4.299) 26.778 5.339 ( 3.112 12.651 -0.486) 13.038 5.446 ( 0.571 -1.343 -1.024) 1.783 6.743 ( 20.235 18.511 3.166) 27.607 8.236 ( -7.336 -9.157 4.717) 12.646 14.378 ( -11.683 -9.287 0.100) 14.925 15.815 ( -13.060 -15.125 -3.365) 20.265 15.963 ( -19.178 -25.550 -3.458) 32.133 17.267 ( -0.068 -2.226 -0.086) 2.229 19.551 ( 4.326 7.264 4.515) 9.584 20.349 ( 24.307 27.871 -11.633) 38.768 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 23.808 20.534 0.365) 31.443 2.245 ( 13.548 22.964 0.089) 26.663 2.835 ( 4.574 5.964 -0.353) 7.524 3.149 ( 19.987 15.788 -2.096) 25.557 3.522 ( 9.805 8.986 2.730) 13.577 3.607 ( 3.376 0.925 -1.059) 3.657 3.808 ( 0.777 9.328 0.007) 9.360 5.311 ( 16.820 7.025 -0.476) 18.234 5.382 ( -1.739 -2.418 -1.757) 3.458 5.603 ( 9.166 20.922 -0.595) 22.849 7.299 ( 21.335 15.577 2.041) 26.495 8.058 ( -3.298 -6.095 3.523) 7.774 14.045 ( -16.507 -8.257 0.169) 18.458 15.321 ( -20.951 -21.025 -0.894) 29.695 15.459 ( -14.569 -17.656 -2.395) 23.016 17.246 ( -0.326 -1.064 -0.166) 1.126 19.639 ( -0.667 4.598 0.908) 4.734 20.791 ( 10.777 4.435 -2.713) 11.965 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 22.435 17.500 -0.379) 28.455 2.660 ( 10.722 17.973 0.035) 20.929 2.966 ( 3.714 5.895 -0.356) 6.977 3.543 ( 12.161 7.598 -1.957) 14.473 3.661 ( 5.257 3.364 0.070) 6.241 3.803 ( 9.261 6.337 1.425) 11.312 3.921 ( -0.833 13.315 -0.025) 13.341 5.287 ( -2.675 -3.778 -1.070) 4.751 5.570 ( 7.712 4.352 -0.039) 8.855 6.026 ( 11.675 16.804 0.363) 20.465 7.672 ( 8.090 6.469 2.304) 10.612 8.156 ( 16.912 4.228 0.942) 17.458 13.663 ( -18.576 -6.747 0.171) 19.764 14.754 ( -21.339 -18.231 -0.991) 28.084 15.043 ( -13.571 -16.188 -0.440) 21.129 17.235 ( -1.065 1.317 -0.182) 1.704 19.635 ( -2.523 0.322 0.293) 2.561 20.855 ( 0.510 -7.291 -0.686) 7.341 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 7.538 12.145 0.032) 14.294 3.055 ( 7.861 7.166 -0.364) 10.643 3.108 ( 13.192 12.011 -0.539) 17.849 3.716 ( 6.062 2.153 -1.015) 6.513 3.841 ( 7.644 4.928 0.435) 9.105 3.992 ( 5.860 4.552 0.282) 7.425 4.037 ( -2.694 15.570 -0.027) 15.801 5.223 ( -0.581 -2.222 -1.053) 2.527 5.710 ( 4.985 1.800 0.146) 5.302 6.215 ( -4.260 7.931 1.166) 9.078 7.916 ( 14.288 7.912 1.055) 16.366 8.555 ( 20.033 4.611 0.325) 20.559 13.293 ( -17.289 -4.292 0.125) 17.814 14.231 ( -19.077 -15.687 -0.443) 24.703 14.681 ( -11.282 -12.560 0.050) 16.883 17.235 ( -2.205 4.392 -0.135) 4.916 19.572 ( -2.418 -3.726 0.389) 4.459 20.718 ( -3.684 -11.964 -0.469) 12.528 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( 0.826 4.711 -0.342) 4.795 3.162 ( 3.864 7.224 0.080) 8.193 3.481 ( 12.751 8.684 -0.440) 15.434 3.841 ( 6.132 2.290 -0.476) 6.563 3.977 ( 3.838 1.955 0.835) 4.387 4.093 ( 1.800 2.573 -0.234) 3.149 4.131 ( -4.550 15.719 -0.189) 16.365 5.233 ( 3.599 -0.088 -0.903) 3.711 5.763 ( 1.470 -4.105 0.195) 4.365 6.126 ( -12.936 9.556 0.603) 16.094 8.276 ( 16.190 6.701 0.316) 17.525 8.882 ( 14.224 0.398 0.421) 14.236 13.003 ( -13.171 -0.249 0.057) 13.174 13.805 ( -12.559 -13.660 0.059) 18.556 14.416 ( -7.905 -7.063 0.124) 10.602 17.244 ( -3.616 7.307 -0.063) 8.153 19.495 ( -0.358 -6.462 0.577) 6.498 20.531 ( -2.771 -12.204 -0.590) 12.529 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( -0.917 3.717 -0.450) 3.855 3.252 ( 0.163 4.013 0.240) 4.023 3.693 ( 4.931 3.020 -0.515) 5.805 3.954 ( 3.625 0.997 0.349) 3.775 4.021 ( 0.798 0.189 0.404) 0.914 4.114 ( -0.972 1.052 -0.020) 1.432 4.185 ( -6.512 14.040 -0.318) 15.480 5.330 ( 6.951 -1.061 -0.622) 7.059 5.670 ( -4.938 -4.612 -0.116) 6.757 6.048 ( -9.452 13.651 0.070) 16.604 8.536 ( 8.090 0.786 -0.018) 8.128 9.045 ( 6.691 -4.130 0.655) 7.891 12.847 ( -7.396 4.777 0.004) 8.805 13.557 ( -1.685 -10.125 0.310) 10.269 14.276 ( -3.190 -1.701 0.121) 3.617 17.253 ( -4.856 8.995 -0.018) 10.222 19.446 ( 2.667 -7.209 0.672) 7.716 20.406 ( 1.695 -9.795 -0.675) 9.964 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -0.000 27.562 4.365) 27.905 1.275 ( -0.000 29.641 1.134) 29.663 2.047 ( -0.000 43.716 -0.569) 43.720 2.616 ( -0.000 5.870 -0.452) 5.887 2.995 ( -0.000 18.529 2.193) 18.658 3.634 ( 0.000 -3.067 -2.389) 3.888 3.648 ( -0.000 2.037 0.162) 2.043 4.526 ( 0.000 27.193 -6.977) 28.074 5.177 ( -0.000 6.327 -0.099) 6.328 5.438 ( 0.000 5.685 -1.099) 5.790 6.410 ( -0.000 22.498 4.996) 23.046 8.384 ( -0.000 -11.729 4.934) 12.724 14.544 ( 0.000 -13.641 -0.077) 13.642 16.042 ( 0.000 -11.508 -9.564) 14.963 16.365 ( 0.000 -33.755 -0.762) 33.764 17.300 ( 0.000 -1.471 0.026) 1.471 19.136 ( -0.000 31.588 6.673) 32.285 20.003 ( 0.000 42.447 -21.484) 47.575 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 9.348 29.405 2.494) 30.956 1.734 ( 15.869 26.706 0.756) 31.074 2.533 ( 9.470 34.464 -1.135) 35.759 2.705 ( 3.096 6.945 -0.394) 7.614 3.226 ( 4.971 16.658 2.614) 17.579 3.592 ( -1.112 -1.117 -1.851) 2.431 3.712 ( 3.855 4.026 0.129) 5.575 4.835 ( 5.336 26.158 -4.383) 27.054 5.338 ( 8.767 8.357 -0.440) 12.120 5.451 ( -1.306 0.913 -1.226) 2.011 6.736 ( 7.177 27.004 3.511) 28.162 8.240 ( -3.875 -11.472 4.522) 12.925 14.381 ( -2.424 -14.654 -0.028) 14.854 15.823 ( -7.360 -16.852 -4.065) 18.833 15.932 ( -10.695 -31.079 -1.765) 32.915 17.264 ( -1.647 -1.268 0.034) 2.079 19.491 ( 10.837 9.305 6.005) 15.494 20.404 ( 4.696 34.031 -12.850) 36.678 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 16.173 26.955 0.988) 31.450 2.260 ( 14.311 24.156 0.331) 28.079 2.826 ( 4.178 7.315 -0.364) 8.432 3.037 ( 13.455 22.775 -1.556) 26.499 3.486 ( 7.100 12.749 2.543) 14.812 3.582 ( 0.591 0.900 -1.292) 1.682 3.858 ( 5.306 9.056 0.092) 10.497 5.180 ( 9.358 16.539 -1.215) 19.042 5.383 ( -1.920 -3.678 -1.161) 4.308 5.654 ( 9.948 18.567 -1.009) 21.088 7.179 ( 13.421 23.451 1.829) 27.081 8.062 ( -4.842 -9.442 3.749) 11.254 14.163 ( -7.429 -12.627 0.041) 14.650 15.394 ( -14.849 -25.909 -0.555) 29.868 15.483 ( -11.592 -20.355 -2.503) 23.558 17.238 ( -0.183 -0.501 -0.016) 0.534 19.678 ( 3.074 3.502 1.756) 4.980 20.705 ( 4.817 10.652 -3.949) 12.340 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 18.063 22.565 0.020) 28.904 2.689 ( 9.703 20.206 0.130) 22.415 2.968 ( 3.904 7.264 -0.287) 8.251 3.433 ( 11.322 13.072 -1.546) 17.363 3.625 ( 2.811 3.379 -0.379) 4.412 3.729 ( 7.694 8.595 1.617) 11.648 4.066 ( 3.646 16.538 -0.063) 16.935 5.289 ( -2.399 -4.271 -0.386) 4.914 5.460 ( 8.672 5.967 -0.552) 10.541 6.045 ( 10.363 22.304 -0.346) 24.597 7.618 ( 11.024 15.654 1.686) 19.220 7.961 ( 4.441 -4.298 1.714) 6.414 13.871 ( -13.165 -9.984 0.065) 16.523 14.896 ( -16.533 -19.440 -0.877) 25.535 15.062 ( -11.602 -21.698 -0.538) 24.610 17.250 ( 0.905 1.709 -0.074) 1.935 19.696 ( -2.863 0.215 0.233) 2.881 20.758 ( 0.380 -6.704 -0.828) 6.766 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 15.225 15.752 -0.469) 21.913 3.009 ( 7.392 16.171 0.191) 17.782 3.100 ( 3.124 7.536 -0.314) 8.164 3.651 ( 5.152 4.589 -0.983) 6.969 3.767 ( 7.091 6.450 0.191) 9.588 3.921 ( 6.372 4.723 0.683) 7.961 4.294 ( -1.203 23.928 -0.286) 23.960 5.212 ( -1.516 -3.119 -0.624) 3.523 5.617 ( 6.476 -0.414 0.118) 6.491 6.371 ( 2.088 17.706 0.541) 17.837 7.818 ( 5.317 7.804 1.558) 9.571 8.226 ( 20.797 2.219 0.011) 20.915 13.529 ( -15.307 -7.939 0.081) 17.243 14.410 ( -19.950 -15.263 -0.515) 25.124 14.696 ( -7.406 -17.251 0.042) 18.773 17.302 ( 0.850 5.586 -0.095) 5.652 19.601 ( -5.378 -4.193 0.147) 6.821 20.618 ( -2.264 -15.832 -0.302) 15.996 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 3.546 8.397 -0.417) 9.125 3.197 ( 1.644 8.368 0.160) 8.530 3.360 ( 12.333 11.939 -0.316) 17.168 3.772 ( 5.067 3.496 -0.486) 6.176 3.926 ( 4.946 3.348 0.643) 6.007 4.042 ( 4.105 1.264 -0.082) 4.296 4.475 ( -7.373 26.474 -0.414) 27.484 5.187 ( 1.108 -0.698 -0.472) 1.392 5.683 ( 3.924 -3.915 0.086) 5.544 6.460 ( -9.838 16.000 0.598) 18.792 8.071 ( 13.953 6.838 0.555) 15.549 8.580 ( 18.950 -2.142 0.108) 19.071 13.219 ( -12.519 -4.476 0.122) 13.295 13.919 ( -18.230 -15.494 -0.044) 23.924 14.462 ( -5.779 -7.618 0.056) 9.562 17.384 ( -0.913 10.513 -0.087) 10.553 19.448 ( -4.108 -8.950 0.421) 9.857 20.404 ( -1.336 -18.990 -0.437) 19.042 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( -1.028 6.291 -0.381) 6.386 3.305 ( 0.372 6.910 0.191) 6.923 3.624 ( 7.555 5.684 -0.255) 9.458 3.891 ( 5.028 2.187 -0.185) 5.486 4.004 ( 1.816 0.668 0.797) 2.092 4.091 ( 1.687 -0.996 -0.309) 1.983 4.560 ( -11.433 24.020 -0.399) 26.605 5.226 ( 3.547 -0.515 -0.318) 3.598 5.685 ( -0.239 -1.433 -0.169) 1.462 6.417 ( -13.520 18.255 0.202) 22.717 8.360 ( 12.692 1.312 0.134) 12.760 8.815 ( 13.223 -7.123 0.376) 15.024 13.033 ( -7.355 1.929 0.132) 7.605 13.512 ( -9.787 -15.261 0.217) 18.131 14.336 ( -4.778 0.075 0.021) 4.778 17.466 ( -4.598 14.682 -0.081) 15.385 19.308 ( 0.757 -12.304 0.626) 12.343 20.223 ( 2.754 -18.169 -0.586) 18.386 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -0.000 31.420 2.161) 31.494 1.843 ( -0.000 26.828 0.905) 26.843 2.742 ( -0.000 6.733 -0.365) 6.743 2.807 ( -0.000 32.635 -1.001) 32.650 3.361 ( -0.000 16.607 2.094) 16.738 3.601 ( 0.000 0.661 -1.519) 1.657 3.697 ( -0.000 2.863 0.181) 2.869 5.089 ( -0.000 30.110 -3.230) 30.283 5.322 ( -0.000 8.004 -0.147) 8.006 5.453 ( 0.000 -1.081 -1.602) 1.933 6.989 ( -0.000 30.979 2.624) 31.090 8.167 ( -0.000 -11.074 4.313) 11.885 14.223 ( 0.000 -18.279 -0.069) 18.279 15.702 ( 0.000 -25.598 -0.355) 25.600 15.709 ( 0.000 -24.867 -3.415) 25.100 17.268 ( 0.000 -1.763 0.047) 1.763 19.496 ( -0.000 8.674 4.270) 9.669 20.660 ( 0.000 24.862 -8.502) 26.275 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 6.566 30.547 1.409) 31.277 2.237 ( 13.469 23.234 0.645) 26.863 2.835 ( 2.856 6.873 -0.300) 7.449 3.134 ( 4.029 25.192 -1.077) 25.535 3.539 ( 2.654 12.644 1.452) 13.001 3.601 ( -0.956 3.556 -0.636) 3.737 3.806 ( 7.698 5.332 0.108) 9.365 5.300 ( -1.114 15.083 0.300) 15.128 5.378 ( -1.584 0.191 -1.414) 2.132 5.627 ( 12.056 18.941 -2.182) 22.558 7.314 ( 2.827 27.595 1.117) 27.762 8.053 ( -3.154 -7.304 3.884) 8.853 14.048 ( 1.017 -18.419 -0.060) 18.447 15.316 ( -8.172 -29.477 -0.594) 30.595 15.445 ( -7.204 -19.981 -1.564) 21.298 17.243 ( -0.625 -0.822 0.047) 1.034 19.623 ( 5.234 2.875 1.889) 6.263 20.808 ( -2.705 10.740 -3.716) 11.682 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 11.055 26.673 0.571) 28.879 2.687 ( 12.920 18.477 0.341) 22.549 2.968 ( 4.342 6.980 -0.230) 8.224 3.428 ( 5.861 16.281 -1.087) 17.338 3.627 ( 1.331 4.359 -0.614) 4.599 3.730 ( 3.758 10.757 1.559) 11.501 4.064 ( 12.554 11.286 0.095) 16.881 5.285 ( -2.125 -4.343 0.032) 4.835 5.461 ( 0.694 10.554 -0.617) 10.595 6.053 ( 13.298 20.537 -1.093) 24.491 7.635 ( 7.455 18.812 0.053) 20.236 7.948 ( -5.095 0.086 3.006) 5.916 13.873 ( -2.179 -16.345 -0.073) 16.490 14.890 ( -8.417 -24.170 -0.367) 25.596 15.064 ( -12.989 -20.626 -0.705) 24.385 17.249 ( 1.117 1.613 0.020) 1.962 19.695 ( 1.846 -2.182 0.337) 2.878 20.760 ( -6.389 -3.127 -0.988) 7.182 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 11.812 20.146 -0.030) 23.353 3.032 ( 8.448 14.569 0.196) 16.842 3.113 ( 4.140 7.133 -0.190) 8.249 3.626 ( 3.912 6.587 -0.640) 7.688 3.738 ( 4.443 8.066 -0.255) 9.212 3.887 ( 3.909 6.542 0.828) 7.666 4.447 ( 12.071 20.638 -0.010) 23.909 5.209 ( -1.788 -3.158 -0.278) 3.640 5.538 ( 1.055 1.816 0.034) 2.101 6.454 ( 10.111 17.996 -0.196) 20.643 7.909 ( -1.279 4.622 1.524) 5.032 7.948 ( 10.585 11.386 -0.039) 15.546 13.625 ( -8.524 -14.654 -0.071) 16.953 14.590 ( -3.175 -14.992 -0.096) 15.325 14.596 ( -17.161 -20.238 -0.277) 26.536 17.319 ( 3.073 5.276 -0.011) 6.105 19.639 ( -3.511 -5.919 -0.114) 6.883 20.543 ( -7.907 -13.783 -0.115) 15.890 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 7.102 11.542 -0.227) 13.554 3.243 ( 2.683 7.459 0.057) 7.927 3.309 ( 8.402 13.129 -0.105) 15.588 3.736 ( 3.498 4.182 -0.267) 5.458 3.887 ( 4.265 5.143 0.190) 6.684 3.994 ( 3.154 2.511 0.104) 4.033 4.818 ( 1.378 25.600 -0.379) 25.640 5.183 ( 0.175 2.356 -0.009) 2.362 5.551 ( 4.094 -5.850 0.046) 7.140 6.727 ( 0.573 17.462 0.250) 17.474 7.994 ( 3.244 8.988 0.707) 9.581 8.239 ( 16.239 -0.721 -0.176) 16.256 13.321 ( -9.614 -12.491 0.032) 15.762 14.085 ( -18.444 -19.465 -0.026) 26.815 14.466 ( -1.509 -3.600 -0.017) 3.903 17.458 ( 4.059 10.155 -0.038) 10.936 19.467 ( -7.290 -9.189 0.091) 11.729 20.247 ( -5.533 -20.603 -0.153) 21.333 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( 0.395 7.624 -0.365) 7.643 3.363 ( 2.015 7.831 0.260) 8.090 3.560 ( 7.371 7.937 -0.128) 10.832 3.834 ( 3.981 2.372 -0.184) 4.637 3.980 ( 2.422 1.965 0.653) 3.186 4.049 ( 2.038 -0.230 -0.362) 2.083 4.955 ( -6.900 15.787 -0.661) 17.241 5.226 ( -3.045 5.609 0.352) 6.392 5.637 ( 7.661 3.842 -0.262) 8.575 6.827 ( -9.832 19.872 0.221) 22.172 8.174 ( 9.291 2.848 0.200) 9.720 8.477 ( 15.849 -7.960 0.078) 17.736 13.090 ( -4.257 -8.049 0.148) 9.106 13.599 ( -16.168 -16.858 0.109) 23.358 14.437 ( -3.280 5.080 -0.036) 6.047 17.648 ( 2.207 15.880 -0.089) 16.033 19.229 ( -6.692 -12.796 0.468) 14.448 19.976 ( 0.399 -23.319 -0.416) 23.326 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -0.000 30.515 1.400) 30.547 2.341 ( -0.000 22.613 0.693) 22.624 2.873 ( -0.000 6.354 -0.205) 6.357 3.340 ( -0.000 21.532 -0.778) 21.546 3.612 ( -0.000 5.909 -0.361) 5.921 3.696 ( -0.000 11.240 0.843) 11.271 3.761 ( -0.000 3.434 0.195) 3.439 5.328 ( -0.000 -3.683 0.720) 3.753 5.486 ( -0.000 8.340 -0.176) 8.342 5.740 ( 0.000 27.344 -3.069) 27.516 7.546 ( -0.000 20.285 -0.022) 20.285 8.062 ( -0.000 3.403 3.764) 5.074 13.833 ( 0.000 -20.391 -0.053) 20.391 15.088 ( 0.000 -29.742 -0.599) 29.748 15.307 ( 0.000 -20.311 -0.733) 20.325 17.233 ( 0.000 -1.722 0.053) 1.723 19.608 ( -0.000 2.259 1.029) 2.482 20.912 ( 0.000 4.075 -2.117) 4.592 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 4.252 28.119 0.964) 28.455 2.655 ( 10.393 18.454 0.472) 21.184 2.963 ( 3.267 6.066 -0.109) 6.891 3.528 ( 0.718 14.152 -0.557) 14.181 3.667 ( 0.276 6.927 -0.666) 6.964 3.805 ( 0.986 10.595 1.295) 10.719 3.921 ( 11.607 5.992 0.036) 13.063 5.274 ( -1.489 -4.183 0.302) 4.451 5.571 ( -0.193 8.869 -0.135) 8.872 6.047 ( 8.140 18.648 -1.682) 20.417 7.700 ( 1.534 9.704 -0.411) 9.833 8.138 ( -4.652 17.006 2.659) 17.830 13.665 ( 3.435 -19.501 -0.069) 19.801 14.747 ( -5.231 -27.398 -0.352) 27.895 15.043 ( -7.058 -19.565 -0.396) 20.803 17.233 ( 1.724 -0.227 0.047) 1.739 19.636 ( 1.573 -1.572 0.161) 2.230 20.855 ( -6.696 -3.611 -0.680) 7.638 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 6.281 21.041 0.425) 21.963 3.009 ( 10.407 14.663 0.189) 17.982 3.098 ( 4.981 6.319 -0.026) 8.046 3.645 ( 1.572 6.817 -0.119) 6.997 3.773 ( 1.821 9.587 -0.729) 9.785 3.920 ( 1.048 7.663 0.892) 7.785 4.290 ( 21.302 10.798 0.258) 23.884 5.208 ( -1.707 -2.865 -0.022) 3.335 5.617 ( -3.592 5.364 0.110) 6.457 6.379 ( 13.874 10.725 -0.747) 17.552 7.830 ( 4.042 7.988 -0.337) 8.959 8.217 ( -8.361 19.534 1.341) 21.291 13.530 ( 0.749 -17.212 -0.132) 17.228 14.407 ( -3.261 -24.720 -0.029) 24.934 14.699 ( -11.220 -15.080 -0.273) 18.798 17.301 ( 4.445 3.531 0.036) 5.677 19.604 ( -1.020 -6.568 -0.285) 6.653 20.616 ( -12.559 -10.046 0.056) 16.082 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 6.536 11.853 0.176) 13.537 3.244 ( 5.050 6.094 -0.207) 7.917 3.308 ( 7.261 13.849 0.168) 15.638 3.735 ( 1.957 5.099 0.071) 5.462 3.889 ( 2.149 6.400 -0.448) 6.766 3.993 ( 0.694 3.888 0.392) 3.969 4.816 ( 21.539 13.839 0.323) 25.603 5.184 ( 2.037 1.481 -0.279) 2.534 5.550 ( -7.093 0.534 0.241) 7.117 6.729 ( 14.692 9.262 -0.237) 17.370 7.997 ( 6.070 7.202 -0.218) 9.421 8.237 ( -8.652 13.800 0.493) 16.295 13.321 ( -6.053 -14.544 -0.114) 15.754 14.085 ( -7.602 -25.660 0.014) 26.763 14.466 ( -2.404 -3.130 -0.070) 3.947 17.458 ( 6.780 8.582 0.030) 10.937 19.468 ( -4.419 -10.814 -0.310) 11.686 20.246 ( -14.992 -15.172 0.215) 21.331 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( 4.715 8.167 -0.000) 9.431 3.377 ( 3.460 5.993 0.000) 6.920 3.535 ( 5.372 9.305 -0.000) 10.744 3.809 ( 1.766 3.058 -0.000) 3.531 3.969 ( 1.791 3.103 -0.000) 3.583 4.027 ( 0.581 1.006 -0.000) 1.161 5.055 ( 1.083 1.875 -0.000) 2.165 5.400 ( -3.855 -6.677 -0.000) 7.710 5.518 ( 14.212 24.616 -0.000) 28.424 7.041 ( 7.570 13.112 -0.000) 15.140 8.154 ( 3.104 5.377 -0.000) 6.209 8.216 ( 0.006 0.010 -0.000) 0.011 13.080 ( -6.041 -10.463 -0.000) 12.081 13.661 ( -12.507 -21.663 -0.000) 25.014 14.502 ( 2.914 5.047 -0.000) 5.828 17.703 ( 8.219 14.236 -0.000) 16.438 19.246 ( -7.344 -12.721 -0.000) 14.689 19.830 ( -11.670 -20.214 -0.000) 23.341 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -0.000 17.188 0.404) 17.193 2.805 ( -0.000 26.897 0.967) 26.915 2.989 ( -0.000 5.216 0.025) 5.216 3.651 ( -0.000 9.451 0.141) 9.452 3.749 ( -0.000 9.891 -0.924) 9.934 3.834 ( -0.000 3.724 0.203) 3.730 3.915 ( -0.000 9.285 0.802) 9.320 5.251 ( -0.000 -3.322 0.546) 3.366 5.644 ( -0.000 7.391 -0.170) 7.393 6.123 ( 0.000 9.165 -1.337) 9.262 7.789 ( -0.000 11.595 -0.427) 11.603 8.389 ( -0.000 21.911 1.645) 21.973 13.430 ( 0.000 -19.454 -0.027) 19.454 14.523 ( 0.000 -26.519 -0.351) 26.521 14.910 ( 0.000 -18.899 -0.186) 18.900 17.202 ( 0.000 -1.410 0.041) 1.411 19.615 ( 0.000 -1.295 -0.189) 1.308 20.867 ( 0.000 -6.680 -0.134) 6.681 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 6.629 12.763 0.256) 14.384 3.051 ( 2.477 10.851 0.190) 11.131 3.101 ( 3.936 17.007 0.484) 17.464 3.707 ( -0.997 6.514 0.343) 6.599 3.850 ( 0.348 9.288 -1.042) 9.353 3.987 ( 2.134 7.087 1.069) 7.478 4.037 ( 13.610 5.381 0.018) 14.635 5.213 ( -1.401 -1.603 0.419) 2.170 5.711 ( -0.993 5.217 0.039) 5.310 6.229 ( 8.794 0.049 -0.866) 8.837 7.927 ( -0.305 15.913 -0.489) 15.923 8.551 ( -6.001 19.969 0.860) 20.869 13.294 ( 4.955 -17.156 -0.052) 17.857 14.229 ( -4.099 -24.145 -0.204) 24.491 14.683 ( -5.216 -16.018 -0.150) 16.847 17.234 ( 4.908 0.323 0.036) 4.919 19.578 ( -2.062 -3.808 -0.444) 4.353 20.713 ( -8.499 -9.331 0.273) 12.625 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 5.488 7.166 0.456) 9.037 3.198 ( 6.469 5.730 -0.262) 8.646 3.359 ( 4.233 16.692 0.250) 17.222 3.770 ( 0.568 6.159 0.392) 6.198 3.931 ( 0.333 6.066 -0.935) 6.147 4.040 ( -0.917 4.102 0.562) 4.240 4.473 ( 26.573 6.835 0.433) 27.442 5.185 ( -0.992 0.635 0.121) 1.184 5.683 ( -5.375 1.392 0.248) 5.558 6.463 ( 18.677 -0.622 -0.503) 18.694 8.074 ( -1.079 15.373 -0.404) 15.416 8.579 ( -11.320 15.478 0.306) 19.178 13.220 ( 2.398 -13.075 -0.136) 13.293 13.919 ( -4.310 -23.450 -0.082) 23.843 14.463 ( -3.740 -8.837 -0.082) 9.596 17.383 ( 9.558 4.467 0.053) 10.551 19.451 ( -5.740 -7.966 -0.526) 9.833 20.401 ( -15.744 -10.713 0.438) 19.048 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( -0.000 10.968 0.012) 10.968 3.079 ( -0.000 3.767 0.325) 3.781 3.285 ( -0.000 20.483 0.508) 20.490 3.799 ( -0.000 6.726 0.727) 6.765 3.908 ( -0.000 3.514 0.217) 3.520 3.929 ( 0.000 7.234 -1.181) 7.330 4.063 ( -0.000 5.188 0.601) 5.222 5.224 ( -0.000 0.725 0.725) 1.026 5.772 ( -0.000 5.441 -0.137) 5.442 6.095 ( 0.000 -9.309 -0.624) 9.330 8.113 ( -0.000 19.223 -0.500) 19.230 8.793 ( -0.000 17.019 0.372) 17.023 13.079 ( 0.000 -15.339 0.006) 15.339 14.045 ( 0.000 -20.765 -0.275) 20.767 14.571 ( 0.000 -14.680 -0.119) 14.680 17.178 ( 0.000 -0.946 0.017) 0.946 19.572 ( 0.000 -2.439 -0.571) 2.505 20.697 ( 0.000 -9.370 0.475) 9.382 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 3.559 2.971 0.297) 4.645 3.162 ( 4.446 7.083 -0.038) 8.363 3.479 ( 1.178 15.426 0.304) 15.474 3.838 ( -1.034 6.559 0.557) 6.663 3.983 ( -0.265 4.333 -1.141) 4.488 4.090 ( 1.598 2.896 0.621) 3.366 4.130 ( 15.587 3.856 0.230) 16.059 5.229 ( -1.759 3.102 0.622) 3.620 5.763 ( -4.332 -0.797 0.065) 4.405 6.130 ( 14.702 -6.638 -0.447) 16.137 8.278 ( -2.299 17.245 -0.351) 17.401 8.883 ( -6.770 12.646 -0.052) 14.344 13.004 ( 6.400 -11.548 -0.025) 13.203 13.806 ( -5.568 -17.624 -0.243) 18.485 14.417 ( -2.183 -10.379 -0.111) 10.606 17.244 ( 8.124 0.537 0.024) 8.142 19.499 ( -5.432 -3.507 -0.627) 6.496 20.528 ( -9.168 -8.541 0.582) 12.543 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -0.000 2.020 0.367) 2.054 3.185 ( -0.000 5.057 -0.123) 5.059 3.605 ( -0.000 11.136 0.381) 11.143 3.933 ( -0.000 6.059 0.481) 6.079 3.969 ( -0.000 2.237 0.233) 2.249 4.016 ( 0.000 1.969 -1.161) 2.286 4.129 ( -0.000 1.492 0.358) 1.534 5.299 ( -0.000 6.514 0.845) 6.569 5.840 ( 0.000 -14.286 -0.184) 14.288 5.855 ( -0.000 2.875 -0.101) 2.877 8.458 ( -0.000 13.742 -0.170) 13.743 9.047 ( -0.000 8.244 -0.405) 8.254 12.838 ( 0.000 -8.503 0.036) 8.503 13.717 ( 0.000 -11.563 -0.306) 11.568 14.340 ( 0.000 -8.115 -0.147) 8.116 17.164 ( 0.000 -0.439 -0.005) 0.439 19.527 ( 0.000 -1.629 -0.668) 1.761 20.535 ( 0.000 -6.330 0.663) 6.364 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.221 ( -0.000 0.000 4.474) 4.474 0.221 ( -0.000 0.000 4.474) 4.474 0.461 ( -0.000 0.000 13.757) 13.757 2.484 ( 0.000 -0.000 -0.446) 0.446 2.484 ( 0.000 -0.000 -0.446) 0.446 3.606 ( -0.000 0.000 0.130) 0.130 3.606 ( -0.000 0.000 0.130) 0.130 3.913 ( 0.000 -0.000 -3.796) 3.796 5.042 ( 0.000 -0.000 -0.037) 0.037 5.042 ( 0.000 -0.000 -0.037) 0.037 6.161 ( 0.000 -0.000 -2.004) 2.004 8.713 ( -0.000 0.000 7.857) 7.857 14.826 ( 0.000 -0.000 -0.075) 0.075 14.826 ( 0.000 -0.000 -0.075) 0.075 17.142 ( -0.000 0.000 1.098) 1.098 17.334 ( 0.000 -0.000 -0.004) 0.004 17.334 ( 0.000 0.000 -0.004) 0.004 19.397 ( 0.000 -0.000 -3.184) 3.184 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 10.926 6.308 9.043) 15.522 0.694 ( 26.083 15.059 0.990) 30.135 1.087 ( 44.172 25.503 0.796) 51.012 2.518 ( 2.973 1.716 -0.375) 3.453 2.646 ( 12.415 7.168 0.579) 14.348 3.617 ( 0.930 0.537 0.115) 1.080 3.700 ( -1.374 -0.793 -3.378) 3.732 4.040 ( 16.053 9.268 -6.233) 19.556 5.076 ( 2.980 1.720 -0.014) 3.441 5.219 ( 12.339 7.124 -0.540) 14.258 6.178 ( 4.477 2.585 2.319) 5.666 8.598 ( -8.330 -4.809 5.919) 11.293 14.752 ( -6.369 -3.677 0.003) 7.354 15.960 ( 30.655 17.699 -24.768) 43.202 17.023 ( -23.509 -13.573 -0.851) 27.159 17.327 ( -0.642 -0.370 -0.075) 0.745 17.910 ( 76.730 44.300 -12.925) 89.538 19.394 ( 1.323 0.764 -2.600) 3.015 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 23.862 13.777 3.114) 27.729 1.295 ( 25.582 14.770 0.250) 29.541 2.049 ( 38.442 22.195 -0.702) 44.395 2.612 ( 5.084 2.935 -0.303) 5.878 2.989 ( 15.911 9.186 2.472) 18.537 3.628 ( -2.462 -1.421 -2.220) 3.607 3.649 ( 1.798 1.038 0.100) 2.079 4.494 ( 23.334 13.472 -5.353) 27.470 5.175 ( 5.423 3.131 0.017) 6.262 5.433 ( 4.453 2.571 -0.868) 5.214 6.454 ( 19.207 11.089 2.992) 22.379 8.397 ( -9.835 -5.678 4.268) 12.132 14.540 ( -11.860 -6.848 0.113) 13.696 16.012 ( -9.899 -5.715 -7.347) 13.588 16.395 ( -28.529 -16.471 -2.814) 33.063 17.305 ( -1.223 -0.706 -0.171) 1.422 19.439 ( 9.245 5.337 8.420) 13.596 19.652 ( 55.912 32.281 -21.034) 67.902 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 27.333 15.781 0.571) 31.567 1.858 ( 23.130 13.354 -0.014) 26.708 2.741 ( 5.889 3.400 -0.265) 6.806 2.819 ( 28.413 16.404 -1.794) 32.858 3.349 ( 14.397 8.312 2.930) 16.881 3.601 ( 0.632 0.365 -1.620) 1.777 3.699 ( 2.513 1.451 0.076) 2.903 5.078 ( 27.598 15.934 -2.551) 31.969 5.318 ( 6.898 3.982 0.056) 7.965 5.440 ( -2.440 -1.409 -0.676) 2.898 6.999 ( 25.514 14.731 1.988) 29.528 8.182 ( -8.853 -5.111 3.360) 10.760 14.218 ( -15.818 -9.132 0.199) 18.266 15.660 ( -20.490 -11.830 -0.244) 23.661 15.764 ( -23.558 -13.601 -4.364) 27.550 17.272 ( -1.538 -0.888 -0.239) 1.792 19.559 ( 3.822 2.206 0.693) 4.467 20.583 ( 25.435 14.685 -4.064) 29.649 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 26.413 15.250 -0.452) 30.503 2.350 ( 19.460 11.235 -0.104) 22.471 2.874 ( 5.584 3.224 -0.276) 6.454 3.352 ( 18.576 10.725 -1.876) 21.531 3.607 ( 5.453 3.148 0.305) 6.303 3.693 ( 9.493 5.481 0.957) 11.003 3.763 ( 3.006 1.736 0.032) 3.471 5.350 ( -3.987 -2.302 -1.309) 4.787 5.483 ( 7.215 4.166 0.092) 8.332 5.705 ( 24.513 14.153 0.231) 28.307 7.524 ( 16.608 9.589 2.109) 19.293 8.088 ( 3.782 2.184 1.300) 4.557 13.830 ( -17.613 -10.169 0.214) 20.339 15.091 ( -25.667 -14.819 -0.861) 29.651 15.311 ( -18.077 -10.437 -1.145) 20.905 17.236 ( -1.537 -0.887 -0.238) 1.790 19.617 ( 1.032 0.596 0.222) 1.213 20.898 ( 4.521 2.610 -0.828) 5.285 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 14.765 8.525 -0.064) 17.050 2.816 ( 23.150 13.365 -0.740) 26.741 2.991 ( 4.591 2.651 -0.331) 5.312 3.663 ( 8.200 4.734 -1.754) 9.630 3.740 ( 8.239 4.757 0.574) 9.531 3.836 ( 3.257 1.880 -0.046) 3.761 3.915 ( 8.319 4.803 0.770) 9.636 5.262 ( -2.929 -1.691 -1.149) 3.572 5.642 ( 6.408 3.700 0.114) 7.401 6.106 ( 8.160 4.711 1.266) 9.507 7.776 ( 10.478 6.050 1.561) 12.200 8.400 ( 18.527 10.697 0.001) 21.393 13.429 ( -16.802 -9.701 0.151) 19.402 14.524 ( -23.116 -13.346 -0.543) 26.697 14.909 ( -16.453 -9.499 -0.099) 18.999 17.203 ( -1.265 -0.730 -0.169) 1.470 19.611 ( -1.351 -0.780 0.367) 1.603 20.869 ( -5.513 -3.183 -0.419) 6.380 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 9.397 5.425 0.108) 10.851 3.081 ( 3.335 1.925 -0.442) 3.876 3.289 ( 17.635 10.181 -0.565) 20.371 3.805 ( 5.772 3.333 -0.936) 6.731 3.909 ( 3.061 1.767 -0.153) 3.538 3.923 ( 6.175 3.565 0.884) 7.185 4.065 ( 4.572 2.640 -0.068) 5.280 5.229 ( 0.620 0.358 -1.034) 1.257 5.771 ( 4.719 2.724 0.115) 5.450 6.089 ( -7.872 -4.545 1.057) 9.151 8.109 ( 16.758 9.675 0.586) 19.359 8.794 ( 14.601 8.430 0.111) 16.860 13.079 ( -13.263 -7.657 0.046) 15.315 14.045 ( -18.058 -10.426 -0.016) 20.852 14.570 ( -12.722 -7.345 0.123) 14.691 17.178 ( -0.839 -0.484 -0.069) 0.971 19.569 ( -2.154 -1.244 0.567) 2.551 20.700 ( -8.058 -4.652 -0.550) 9.320 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -0.000 11.442 9.068) 14.599 0.677 ( -0.000 29.929 1.714) 29.978 1.101 ( -0.000 50.143 0.277) 50.143 2.519 ( 0.000 3.507 -0.411) 3.531 2.650 ( -0.000 14.928 0.336) 14.932 3.617 ( -0.000 1.048 0.122) 1.055 3.697 ( 0.000 -1.392 -3.243) 3.529 4.032 ( 0.000 18.907 -5.854) 19.792 5.078 ( -0.000 3.507 -0.066) 3.507 5.211 ( -0.000 14.042 -0.020) 14.042 6.167 ( -0.000 3.983 2.838) 4.891 8.610 ( -0.000 -9.901 5.437) 11.295 14.754 ( 0.000 -7.229 -0.106) 7.230 15.908 ( 0.000 37.713 -21.852) 43.586 17.013 ( 0.000 -28.658 -0.324) 28.659 17.324 ( 0.000 -0.872 0.047) 0.874 17.839 ( -0.000 78.624 -6.810) 78.918 19.447 ( 0.000 9.627 -6.289) 11.499 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 12.625 20.244 4.421) 24.264 1.187 ( 16.889 27.738 0.802) 32.485 1.782 ( 22.437 39.026 -0.344) 45.018 2.586 ( 2.742 4.937 -0.330) 5.656 2.897 ( 8.836 15.961 1.629) 18.316 3.637 ( -2.015 -3.378 -2.183) 4.498 3.647 ( 1.412 2.433 0.101) 2.815 4.340 ( 11.732 21.483 -5.499) 25.087 5.176 ( 4.023 7.279 -0.247) 8.321 5.379 ( 4.159 7.059 -0.577) 8.213 6.329 ( 9.216 13.408 3.522) 16.647 8.465 ( -5.552 -9.799 3.950) 11.935 14.622 ( -5.586 -9.352 -0.006) 10.894 16.038 ( -2.661 -4.167 -9.442) 10.658 16.552 ( -16.181 -30.010 -1.294) 34.119 17.293 ( -0.814 -1.735 0.003) 1.916 19.085 ( 43.484 51.892 1.572) 67.721 19.565 ( 0.373 25.485 -15.288) 29.721 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 21.435 21.879 1.340) 30.659 1.744 ( 15.701 26.541 0.089) 30.838 2.533 ( 25.436 25.113 -1.172) 35.763 2.703 ( 4.475 6.283 -0.260) 7.718 3.230 ( 11.562 13.025 2.380) 17.578 3.585 ( -0.302 -1.418 -1.521) 2.101 3.713 ( 1.624 5.335 0.039) 5.577 4.810 ( 19.790 18.783 -2.798) 27.427 5.337 ( 3.092 12.348 -0.303) 12.733 5.441 ( 0.646 -1.289 -0.535) 1.538 6.759 ( 19.864 18.414 2.082) 27.166 8.261 ( -7.436 -9.138 3.095) 12.181 14.379 ( -11.641 -9.301 0.122) 14.901 15.798 ( -11.534 -13.847 -2.099) 18.144 15.943 ( -19.951 -25.775 -2.851) 32.719 17.266 ( -0.122 -2.190 -0.108) 2.196 19.573 ( 2.382 6.896 2.171) 7.612 20.290 ( 27.831 29.845 -6.904) 41.387 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 23.519 20.498 -0.074) 31.198 2.245 ( 13.506 23.004 -0.165) 26.676 2.834 ( 4.572 5.950 -0.201) 7.507 3.138 ( 19.896 15.822 -1.495) 25.464 3.536 ( 9.174 8.479 1.698) 12.607 3.602 ( 4.037 1.416 -0.662) 4.329 3.808 ( 0.768 9.318 -0.026) 9.350 5.309 ( 18.083 8.126 -0.161) 19.825 5.372 ( -2.539 -3.085 -1.289) 4.198 5.602 ( 9.192 20.686 0.200) 22.637 7.311 ( 21.403 15.567 1.487) 26.507 8.075 ( -3.728 -6.250 1.717) 7.477 14.046 ( -16.486 -8.278 0.180) 18.449 15.316 ( -21.217 -21.320 -0.530) 30.083 15.446 ( -13.890 -16.902 -1.683) 21.942 17.245 ( -0.360 -1.030 -0.172) 1.105 19.642 ( -0.900 4.598 0.092) 4.686 20.779 ( 11.508 4.797 -1.057) 12.512 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 22.313 17.510 -0.639) 28.370 2.660 ( 10.740 18.051 -0.164) 21.005 2.964 ( 3.689 5.884 -0.223) 6.948 3.533 ( 12.100 7.659 -1.258) 14.375 3.662 ( 5.512 3.508 0.203) 6.537 3.809 ( 9.003 6.282 0.565) 10.993 3.921 ( -0.753 13.195 -0.013) 13.216 5.282 ( -2.787 -3.683 -0.829) 4.692 5.570 ( 7.811 4.356 -0.003) 8.944 6.030 ( 11.986 16.817 0.929) 20.672 7.685 ( 7.958 6.377 1.904) 10.374 8.157 ( 16.678 4.116 -0.352) 17.182 13.664 ( -18.576 -6.768 0.160) 19.772 14.749 ( -21.256 -18.196 -0.609) 27.987 15.041 ( -13.418 -16.012 -0.177) 20.891 17.234 ( -1.070 1.343 -0.159) 1.724 19.636 ( -2.471 0.321 0.160) 2.497 20.852 ( 0.569 -7.249 -0.246) 7.276 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 7.637 12.128 -0.119) 14.333 3.053 ( 7.922 7.315 -0.293) 10.787 3.105 ( 13.045 11.992 -0.544) 17.728 3.710 ( 6.163 2.321 -0.769) 6.631 3.844 ( 7.751 4.931 0.767) 9.218 3.991 ( 5.368 5.048 -0.416) 7.380 4.037 ( -2.356 14.924 0.003) 15.109 5.217 ( -0.634 -2.126 -0.763) 2.346 5.711 ( 5.000 1.815 0.049) 5.319 6.222 ( -4.243 7.789 1.085) 8.936 7.922 ( 14.044 7.770 0.835) 16.072 8.555 ( 20.121 4.664 -0.287) 20.657 13.294 ( -17.308 -4.296 0.096) 17.833 14.229 ( -18.957 -15.629 -0.128) 24.569 14.682 ( -11.256 -12.534 0.107) 16.847 17.234 ( -2.190 4.404 -0.093) 4.920 19.575 ( -2.345 -3.723 0.451) 4.423 20.715 ( -3.740 -11.973 -0.403) 12.550 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -0.000 26.580 3.781) 26.848 1.282 ( -0.000 29.545 1.105) 29.566 2.044 ( -0.000 43.513 -0.393) 43.515 2.613 ( -0.000 5.872 -0.351) 5.882 3.006 ( -0.000 18.866 1.386) 18.917 3.621 ( 0.000 -2.874 -1.853) 3.419 3.648 ( -0.000 2.048 0.127) 2.052 4.488 ( 0.000 27.703 -5.066) 28.162 5.177 ( -0.000 6.315 -0.113) 6.316 5.432 ( 0.000 5.488 -0.718) 5.534 6.439 ( -0.000 22.284 4.094) 22.657 8.410 ( -0.000 -11.723 3.426) 12.213 14.544 ( 0.000 -13.632 -0.131) 13.633 15.992 ( 0.000 -9.112 -6.448) 11.163 16.362 ( 0.000 -33.900 -0.330) 33.901 17.301 ( 0.000 -1.475 0.100) 1.478 19.187 ( -0.000 33.503 9.760) 34.895 19.873 ( 0.000 43.756 -19.926) 48.080 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 9.004 29.010 1.993) 30.440 1.738 ( 15.694 26.690 0.668) 30.970 2.528 ( 9.316 34.340 -0.651) 35.587 2.703 ( 3.109 6.944 -0.256) 7.612 3.239 ( 5.128 16.707 1.539) 17.544 3.582 ( -1.073 -0.967 -1.271) 1.924 3.713 ( 3.854 4.031 0.098) 5.578 4.812 ( 5.811 26.855 -2.920) 27.631 5.336 ( 8.733 8.415 -0.245) 12.131 5.444 ( -1.342 0.621 -0.840) 1.701 6.755 ( 6.841 26.555 2.478) 27.534 8.263 ( -3.940 -11.366 2.870) 12.367 14.381 ( -2.384 -14.661 -0.072) 14.853 15.802 ( -6.602 -15.503 -2.582) 17.047 15.923 ( -11.264 -31.358 -0.883) 33.331 17.264 ( -1.671 -1.265 0.073) 2.097 19.528 ( 9.807 7.374 5.708) 13.533 20.331 ( 6.501 37.780 -10.131) 39.651 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 15.843 26.869 0.600) 31.198 2.262 ( 14.173 24.207 0.179) 28.052 2.824 ( 4.206 7.328 -0.194) 8.451 3.029 ( 13.300 22.756 -0.850) 26.371 3.498 ( 7.162 12.645 1.366) 14.596 3.575 ( 0.638 1.030 -0.753) 1.426 3.858 ( 5.275 9.066 0.049) 10.489 5.174 ( 9.850 17.244 -0.577) 19.867 5.377 ( -2.156 -3.916 -0.661) 4.518 5.649 ( 10.171 18.321 -0.533) 20.962 7.188 ( 13.321 23.184 1.014) 26.758 8.080 ( -5.096 -9.393 1.982) 10.869 14.163 ( -7.384 -12.659 0.022) 14.656 15.392 ( -15.089 -26.266 -0.157) 30.292 15.470 ( -11.184 -19.493 -1.498) 22.523 17.238 ( -0.221 -0.483 -0.009) 0.531 19.687 ( 2.419 3.179 0.978) 4.112 20.685 ( 5.892 11.480 -2.161) 13.084 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 17.848 22.587 -0.191) 28.788 2.689 ( 9.651 20.281 -0.040) 22.460 2.967 ( 3.898 7.258 -0.122) 8.239 3.425 ( 11.278 13.123 -0.734) 17.318 3.623 ( 2.991 3.434 -0.104) 4.555 3.736 ( 7.547 8.564 0.612) 11.432 4.065 ( 3.581 16.526 -0.085) 16.910 5.287 ( -2.660 -4.325 -0.211) 5.082 5.458 ( 8.984 6.160 -0.226) 10.895 6.045 ( 10.666 22.232 0.175) 24.658 7.627 ( 11.517 15.669 1.228) 19.485 7.966 ( 3.673 -4.484 0.104) 5.797 13.872 ( -13.133 -10.028 0.081) 16.524 14.891 ( -16.599 -19.380 -0.518) 25.522 15.060 ( -11.403 -21.517 -0.122) 24.352 17.249 ( 0.877 1.733 -0.065) 1.944 19.697 ( -2.934 0.175 0.039) 2.939 20.755 ( 0.587 -6.595 -0.225) 6.625 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 15.137 15.830 -0.474) 21.908 3.009 ( 7.441 16.257 0.006) 17.879 3.099 ( 3.058 7.503 -0.159) 8.103 3.646 ( 5.201 4.751 -0.480) 7.061 3.769 ( 7.228 6.393 0.470) 9.660 3.923 ( 6.207 4.690 -0.091) 7.780 4.292 ( -1.253 23.892 -0.295) 23.927 5.209 ( -1.584 -3.023 -0.298) 3.425 5.617 ( 6.494 -0.385 -0.010) 6.505 6.375 ( 2.276 17.573 0.691) 17.733 7.826 ( 5.047 7.628 1.027) 9.203 8.224 ( 20.892 2.302 -0.720) 21.031 13.530 ( -15.286 -7.961 0.116) 17.236 14.408 ( -19.856 -15.180 -0.262) 24.995 14.697 ( -7.407 -17.241 0.169) 18.766 17.301 ( 0.839 5.604 -0.071) 5.667 19.602 ( -5.281 -4.210 0.234) 6.758 20.616 ( -2.321 -15.825 -0.194) 15.996 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -0.000 31.131 1.861) 31.187 1.849 ( -0.000 26.772 0.836) 26.785 2.740 ( -0.000 6.749 -0.230) 6.753 2.803 ( -0.000 32.535 -0.293) 32.537 3.370 ( -0.000 16.561 0.883) 16.584 3.593 ( 0.000 0.839 -0.875) 1.212 3.698 ( -0.000 2.877 0.135) 2.880 5.073 ( -0.000 31.297 -1.970) 31.359 5.321 ( -0.000 7.994 -0.157) 7.996 5.444 ( 0.000 -1.760 -1.143) 2.098 7.003 ( -0.000 30.295 1.666) 30.341 8.189 ( -0.000 -10.901 2.629) 11.214 14.222 ( 0.000 -18.262 -0.141) 18.263 15.688 ( 0.000 -20.829 -2.960) 21.039 15.706 ( 0.000 -29.024 1.247) 29.050 17.268 ( 0.000 -1.775 0.135) 1.780 19.522 ( -0.000 7.123 3.987) 8.163 20.612 ( 0.000 27.611 -6.598) 28.388 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 6.362 30.426 1.154) 31.106 2.240 ( 13.362 23.209 0.559) 26.787 2.833 ( 2.855 6.896 -0.143) 7.466 3.130 ( 3.937 25.139 -0.235) 25.446 3.545 ( 2.637 11.802 0.323) 12.097 3.599 ( -0.826 4.492 -0.137) 4.569 3.807 ( 7.690 5.324 0.083) 9.354 5.304 ( -1.226 17.794 0.682) 17.850 5.370 ( -1.748 -1.882 -0.941) 2.736 5.614 ( 12.549 18.616 -1.692) 22.514 7.319 ( 2.781 27.020 0.263) 27.164 8.072 ( -3.293 -7.092 2.209) 8.125 14.048 ( 1.028 -18.414 -0.121) 18.443 15.314 ( -8.105 -29.525 -0.154) 30.617 15.438 ( -7.247 -19.642 -0.582) 20.944 17.244 ( -0.640 -0.830 0.107) 1.054 19.633 ( 4.938 2.165 1.445) 5.582 20.788 ( -2.236 11.903 -2.443) 12.355 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 10.828 26.661 0.429) 28.779 2.689 ( 12.834 18.489 0.204) 22.508 2.967 ( 4.338 6.993 -0.057) 8.229 3.424 ( 5.795 16.307 -0.197) 17.307 3.624 ( 1.421 4.392 -0.271) 4.624 3.736 ( 3.694 10.744 0.496) 11.372 4.065 ( 12.539 11.315 0.095) 16.890 5.286 ( -2.284 -4.515 0.179) 5.063 5.458 ( 0.792 10.884 -0.249) 10.916 6.047 ( 13.629 20.496 -0.683) 24.623 7.633 ( 7.605 18.301 -0.609) 19.828 7.962 ( -5.423 0.386 1.537) 5.650 13.872 ( -2.159 -16.371 -0.084) 16.513 14.889 ( -8.430 -24.110 0.087) 25.541 15.061 ( -12.933 -20.541 -0.321) 24.275 17.249 ( 1.094 1.617 0.046) 1.953 19.696 ( 1.699 -2.386 0.162) 2.933 20.755 ( -6.143 -2.826 -0.414) 6.775 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 11.659 20.194 -0.000) 23.317 3.033 ( 8.426 14.593 -0.000) 16.851 3.112 ( 4.120 7.137 -0.000) 8.241 3.624 ( 3.882 6.724 -0.000) 7.764 3.737 ( 4.592 7.954 -0.000) 9.185 3.890 ( 3.781 6.548 -0.000) 7.561 4.447 ( 11.952 20.701 -0.000) 23.904 5.208 ( -1.823 -3.157 -0.000) 3.646 5.539 ( 1.082 1.875 -0.000) 2.164 6.453 ( 10.345 17.918 -0.000) 20.690 7.914 ( 1.414 2.450 0.000) 2.829 7.948 ( 7.775 13.466 -0.000) 15.549 13.625 ( -8.481 -14.690 -0.000) 16.962 14.590 ( -6.601 -11.432 -0.000) 13.201 14.595 ( -13.703 -23.735 0.000) 27.406 17.319 ( 3.053 5.288 -0.000) 6.106 19.639 ( -3.459 -5.991 -0.000) 6.918 20.543 ( -7.917 -13.712 -0.000) 15.833 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -0.000 30.405 1.258) 30.431 2.345 ( -0.000 22.554 0.571) 22.561 2.872 ( -0.000 6.385 -0.041) 6.386 3.338 ( -0.000 21.493 0.149) 21.494 3.610 ( -0.000 5.637 -0.285) 5.644 3.699 ( -0.000 11.576 0.172) 11.577 3.762 ( -0.000 3.447 0.136) 3.450 5.334 ( -0.000 -4.055 1.116) 4.205 5.485 ( -0.000 8.338 -0.173) 8.339 5.722 ( -0.000 28.000 -2.459) 28.107 7.544 ( -0.000 19.870 -0.852) 19.888 8.081 ( -0.000 3.476 2.290) 4.162 13.832 ( 0.000 -20.368 -0.130) 20.369 15.086 ( 0.000 -29.748 -0.084) 29.748 15.304 ( 0.000 -20.219 -0.106) 20.219 17.234 ( 0.000 -1.742 0.140) 1.748 19.614 ( -0.000 1.736 0.704) 1.874 20.901 ( 0.000 4.849 -1.285) 5.016 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 4.118 28.055 0.869) 28.369 2.658 ( 10.329 18.392 0.340) 21.097 2.963 ( 3.259 6.101 0.063) 6.917 3.528 ( 0.658 14.247 0.369) 14.267 3.664 ( 0.281 6.771 -0.433) 6.791 3.810 ( 0.992 10.726 0.388) 10.778 3.921 ( 11.675 5.968 0.012) 13.112 5.277 ( -1.639 -4.251 0.602) 4.596 5.570 ( -0.174 8.949 -0.070) 8.951 6.037 ( 8.372 18.836 -1.404) 20.660 7.695 ( 1.535 9.899 -1.248) 10.095 8.151 ( -4.724 16.580 1.620) 17.316 13.665 ( 3.423 -19.486 -0.124) 19.785 14.747 ( -5.170 -27.436 0.139) 27.919 15.041 ( -7.096 -19.527 -0.120) 20.777 17.233 ( 1.716 -0.243 0.112) 1.736 19.637 ( 1.525 -1.821 -0.000) 2.375 20.852 ( -6.607 -3.275 -0.234) 7.378 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -0.000 17.112 0.252) 17.114 2.811 ( -0.000 26.782 0.911) 26.797 2.989 ( -0.000 5.261 0.194) 5.264 3.655 ( -0.000 9.552 1.001) 9.605 3.744 ( -0.000 9.677 -0.749) 9.706 3.835 ( -0.000 3.741 0.135) 3.744 3.918 ( -0.000 9.409 0.004) 9.409 5.256 ( -0.000 -3.364 0.886) 3.479 5.643 ( -0.000 7.397 -0.154) 7.398 6.114 ( 0.000 9.426 -1.387) 9.527 7.785 ( -0.000 11.773 -1.075) 11.822 8.397 ( -0.000 21.554 0.888) 21.573 13.430 ( 0.000 -19.428 -0.096) 19.428 14.522 ( 0.000 -26.583 0.102) 26.584 14.909 ( 0.000 -18.907 -0.046) 18.907 17.202 ( 0.000 -1.435 0.114) 1.439 19.613 ( 0.000 -1.455 -0.302) 1.486 20.867 ( 0.000 -6.465 0.156) 6.467 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.245 ( -0.000 0.000 3.033) 3.033 0.245 ( -0.000 0.000 3.033) 3.033 0.537 ( -0.000 0.000 10.247) 10.247 2.482 ( 0.000 -0.000 -0.327) 0.327 2.482 ( 0.000 -0.000 -0.327) 0.327 3.607 ( -0.000 0.000 0.093) 0.093 3.607 ( -0.000 0.000 0.093) 0.093 3.891 ( 0.000 -0.000 -3.237) 3.237 5.042 ( 0.000 -0.000 -0.028) 0.028 5.042 ( 0.000 -0.000 -0.028) 0.028 6.150 ( 0.000 -0.000 -1.296) 1.296 8.757 ( -0.000 0.000 5.889) 5.889 14.826 ( 0.000 -0.000 -0.057) 0.057 14.826 ( 0.000 -0.000 -0.057) 0.057 17.148 ( -0.000 0.000 0.854) 0.854 17.334 ( 0.000 0.000 -0.003) 0.003 17.334 ( 0.000 0.000 -0.003) 0.003 19.379 ( 0.000 -0.000 -2.455) 2.455 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 9.420 5.438 6.368) 12.604 0.698 ( 25.815 14.904 0.350) 29.810 1.092 ( 43.765 25.268 0.769) 50.541 2.516 ( 2.984 1.723 -0.220) 3.452 2.649 ( 12.931 7.465 0.414) 14.937 3.618 ( 0.929 0.536 0.068) 1.075 3.682 ( -1.108 -0.640 -2.242) 2.581 4.008 ( 15.237 8.797 -4.023) 18.048 5.076 ( 2.987 1.724 0.012) 3.449 5.216 ( 12.175 7.029 -0.425) 14.065 6.189 ( 5.223 3.016 1.226) 6.155 8.630 ( -8.871 -5.122 4.156) 11.054 14.752 ( -6.343 -3.662 0.048) 7.324 15.834 ( 34.105 19.691 -15.489) 42.318 17.018 ( -24.037 -13.878 -0.793) 27.767 17.327 ( -0.666 -0.385 -0.102) 0.776 17.849 ( 70.941 40.958 -7.264) 82.237 19.383 ( 1.471 0.849 -0.851) 1.900 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 23.018 13.289 1.763) 26.637 1.295 ( 25.530 14.740 -0.201) 29.480 2.045 ( 38.075 21.983 -0.529) 43.969 2.611 ( 5.085 2.936 -0.133) 5.873 3.002 ( 16.260 9.388 1.757) 18.857 3.616 ( -2.369 -1.368 -1.472) 3.106 3.649 ( 1.796 1.037 0.039) 2.075 4.467 ( 23.813 13.748 -2.985) 27.658 5.175 ( 5.431 3.135 0.059) 6.271 5.429 ( 4.460 2.575 -0.435) 5.168 6.467 ( 19.137 11.049 1.310) 22.136 8.419 ( -9.942 -5.740 2.541) 11.758 14.541 ( -11.837 -6.834 0.155) 13.669 15.975 ( -7.834 -4.523 -4.478) 10.094 16.379 ( -28.945 -16.711 -2.257) 33.499 17.304 ( -1.243 -0.718 -0.197) 1.449 19.442 ( 11.111 6.415 -11.079) 16.952 19.588 ( 56.411 32.569 3.938) 65.257 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 27.029 15.605 -0.207) 31.211 1.857 ( 23.129 13.354 -0.363) 26.710 2.739 ( 5.877 3.393 -0.099) 6.787 2.809 ( 28.251 16.311 -1.248) 32.646 3.364 ( 14.363 8.292 1.820) 16.684 3.593 ( 0.754 0.435 -0.940) 1.281 3.699 ( 2.509 1.449 -0.000) 2.898 5.067 ( 27.890 16.102 -1.036) 32.221 5.319 ( 6.905 3.986 0.108) 7.974 5.438 ( -2.307 -1.332 -0.070) 2.665 7.008 ( 25.535 14.742 0.886) 29.498 8.197 ( -9.045 -5.222 1.419) 10.540 14.220 ( -15.809 -9.127 0.211) 18.256 15.662 ( -19.716 -11.383 0.939) 22.785 15.739 ( -23.647 -13.652 -3.752) 27.561 17.271 ( -1.544 -0.891 -0.239) 1.799 19.557 ( 4.023 2.323 -1.271) 4.816 20.570 ( 26.176 15.113 -0.201) 30.226 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 26.327 15.200 -0.888) 30.413 2.348 ( 19.489 11.252 -0.367) 22.507 2.872 ( 5.559 3.209 -0.124) 6.420 3.342 ( 18.590 10.733 -1.084) 21.493 3.608 ( 4.962 2.865 0.145) 5.732 3.698 ( 9.976 5.759 0.537) 11.531 3.763 ( 2.997 1.730 -0.057) 3.461 5.342 ( -3.807 -2.198 -1.255) 4.571 5.484 ( 7.218 4.167 0.144) 8.336 5.710 ( 24.556 14.177 1.428) 28.391 7.536 ( 16.874 9.742 1.589) 19.549 8.090 ( 3.300 1.905 -0.526) 3.846 13.831 ( -17.623 -10.175 0.186) 20.350 15.087 ( -25.733 -14.857 -0.417) 29.717 15.305 ( -17.679 -10.207 -0.565) 20.422 17.235 ( -1.525 -0.880 -0.205) 1.773 19.617 ( 1.177 0.679 -0.263) 1.384 20.897 ( 4.550 2.627 0.249) 5.260 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -0.000 10.185 6.096) 11.870 0.687 ( -0.000 29.675 1.409) 29.708 1.102 ( -0.000 49.930 -0.126) 49.930 2.517 ( -0.000 3.495 -0.286) 3.507 2.652 ( -0.000 15.330 0.139) 15.331 3.618 ( -0.000 1.055 0.082) 1.058 3.680 ( 0.000 -1.201 -2.040) 2.367 4.003 ( 0.000 17.807 -3.508) 18.150 5.077 ( -0.000 3.493 -0.065) 3.494 5.211 ( -0.000 13.932 0.087) 13.932 6.182 ( -0.000 5.275 1.903) 5.608 8.638 ( -0.000 -10.430 3.424) 10.978 14.753 ( 0.000 -7.240 -0.117) 7.241 15.802 ( 0.000 40.222 -12.116) 42.007 17.011 ( 0.000 -28.662 -0.148) 28.663 17.325 ( 0.000 -0.858 0.082) 0.862 17.811 ( -0.000 76.069 -2.677) 76.116 19.415 ( 0.000 6.589 -4.302) 7.869 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 11.850 19.664 2.523) 23.097 1.191 ( 16.508 27.772 0.449) 32.311 1.781 ( 22.342 38.794 -0.207) 44.768 2.584 ( 2.779 4.916 -0.173) 5.649 2.905 ( 9.157 16.212 0.883) 18.640 3.626 ( -1.934 -3.272 -1.244) 3.999 3.648 ( 1.421 2.437 0.053) 2.822 4.314 ( 12.098 21.552 -2.907) 24.886 5.175 ( 4.064 7.201 -0.121) 8.269 5.376 ( 4.064 6.972 -0.280) 8.075 6.346 ( 8.766 13.831 1.904) 16.485 8.484 ( -5.658 -9.895 2.100) 11.590 14.622 ( -5.516 -9.379 -0.003) 10.881 15.993 ( -1.370 -2.238 -4.964) 5.615 16.545 ( -16.726 -29.960 -0.751) 34.321 17.293 ( -0.879 -1.698 0.002) 1.913 19.094 ( 45.720 64.507 1.207) 79.075 19.491 ( -0.794 14.100 -8.147) 16.304 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 20.964 21.800 0.277) 30.246 1.744 ( 15.540 26.636 -0.208) 30.839 2.528 ( 25.255 25.068 -0.635) 35.590 2.702 ( 4.462 6.232 -0.087) 7.665 3.241 ( 11.708 13.002 1.171) 17.536 3.578 ( -0.245 -1.352 -0.679) 1.532 3.713 ( 1.598 5.344 -0.009) 5.578 4.799 ( 20.245 19.034 -0.920) 27.803 5.335 ( 3.050 12.087 -0.121) 12.467 5.439 ( 0.780 -1.190 -0.051) 1.424 6.768 ( 19.611 18.507 0.605) 26.972 8.274 ( -7.571 -9.119 1.145) 11.907 14.380 ( -11.593 -9.327 0.124) 14.879 15.790 ( -10.433 -13.023 -0.615) 16.698 15.928 ( -20.681 -25.898 -1.735) 33.188 17.265 ( -0.178 -2.149 -0.113) 2.160 19.576 ( 0.946 7.792 -1.091) 7.925 20.266 ( 30.230 29.768 -0.660) 42.431 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 23.291 20.560 -0.642) 31.074 2.243 ( 13.460 23.079 -0.392) 26.720 2.833 ( 4.562 5.935 -0.029) 7.486 3.131 ( 19.835 15.888 -0.674) 25.422 3.544 ( 8.721 8.093 0.665) 11.916 3.599 ( 4.497 1.735 -0.247) 4.826 3.807 ( 0.764 9.316 -0.055) 9.348 5.307 ( 18.054 8.622 -0.429) 20.012 5.367 ( -2.442 -3.320 -0.169) 4.125 5.606 ( 9.425 20.433 0.993) 22.524 7.317 ( 21.633 15.683 0.666) 26.728 8.079 ( -4.140 -6.352 -0.270) 7.587 14.047 ( -16.470 -8.299 0.163) 18.444 15.314 ( -21.446 -21.613 -0.198) 30.448 15.439 ( -13.444 -16.328 -0.601) 21.159 17.244 ( -0.385 -0.997 -0.151) 1.080 19.640 ( -0.874 4.869 -0.745) 5.003 20.778 ( 11.734 4.644 0.764) 12.642 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -0.000 26.033 2.245) 26.130 1.288 ( -0.000 29.482 0.923) 29.496 2.042 ( -0.000 43.489 -0.107) 43.489 2.612 ( -0.000 5.873 -0.210) 5.876 3.011 ( -0.000 19.040 0.347) 19.043 3.612 ( 0.000 -2.749 -0.864) 2.882 3.649 ( -0.000 2.059 0.079) 2.061 4.464 ( -0.000 27.908 -2.545) 28.023 5.176 ( -0.000 6.299 -0.111) 6.300 5.429 ( -0.000 5.328 -0.335) 5.339 6.460 ( -0.000 22.155 2.547) 22.301 8.425 ( -0.000 -11.685 1.527) 11.784 14.543 ( 0.000 -13.634 -0.165) 13.635 15.963 ( 0.000 -7.832 -2.785) 8.313 16.362 ( 0.000 -33.909 0.450) 33.912 17.302 ( 0.000 -1.469 0.159) 1.478 19.258 ( -0.000 33.970 12.987) 36.368 19.756 ( 0.000 44.943 -17.659) 48.288 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 8.667 28.880 0.962) 30.168 1.742 ( 15.495 26.714 0.475) 30.886 2.526 ( 9.181 34.320 -0.019) 35.527 2.702 ( 3.133 6.955 -0.090) 7.629 3.244 ( 5.278 16.701 0.209) 17.516 3.577 ( -1.048 -0.885 -0.348) 1.415 3.713 ( 3.845 4.041 0.056) 5.578 4.799 ( 6.167 27.166 -1.070) 27.878 5.335 ( 8.799 8.533 -0.060) 12.257 5.440 ( -1.386 0.324 -0.408) 1.481 6.766 ( 6.508 26.288 1.015) 27.100 8.275 ( -4.022 -11.241 0.912) 11.974 14.381 ( -2.333 -14.678 -0.106) 14.863 15.791 ( -6.168 -15.038 -0.977) 16.283 15.922 ( -11.733 -31.292 0.378) 33.422 17.265 ( -1.714 -1.251 0.101) 2.125 19.560 ( 8.174 5.539 4.054) 10.674 20.282 ( 8.622 40.452 -5.486) 41.723 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 15.551 26.936 -0.000) 31.103 2.262 ( 14.021 24.285 -0.000) 28.042 2.823 ( 4.229 7.325 -0.000) 8.458 3.026 ( 13.162 22.797 -0.000) 26.324 3.502 ( 7.256 12.568 -0.000) 14.512 3.573 ( 0.629 1.089 -0.000) 1.258 3.858 ( 5.243 9.081 -0.000) 10.486 5.173 ( 10.094 17.483 -0.000) 20.187 5.375 ( -2.306 -3.993 -0.000) 4.611 5.647 ( 10.457 18.113 -0.000) 20.915 7.191 ( 13.320 23.070 -0.000) 26.639 8.086 ( -5.356 -9.276 -0.000) 10.711 14.163 ( -7.329 -12.694 -0.000) 14.658 15.391 ( -15.268 -26.446 -0.000) 30.537 15.466 ( -11.023 -19.092 -0.000) 22.046 17.238 ( -0.265 -0.458 -0.000) 0.529 19.690 ( 1.870 3.239 -0.000) 3.740 20.678 ( 6.668 11.550 -0.000) 13.336 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -0.000 31.053 1.117) 31.073 1.854 ( -0.000 26.730 0.648) 26.738 2.739 ( -0.000 6.768 -0.071) 6.768 2.804 ( -0.000 32.530 0.505) 32.534 3.372 ( -0.000 16.553 -0.482) 16.560 3.590 ( -0.000 0.915 0.023) 0.915 3.699 ( -0.000 2.889 0.073) 2.890 5.065 ( -0.000 32.029 -0.514) 32.033 5.320 ( -0.000 7.983 -0.143) 7.984 5.439 ( 0.000 -2.316 -0.558) 2.382 7.009 ( -0.000 29.773 0.413) 29.776 8.199 ( 0.000 -10.680 0.649) 10.699 14.221 ( 0.000 -18.254 -0.191) 18.255 15.672 ( 0.000 -21.935 -2.060) 22.032 15.719 ( 0.000 -27.782 2.656) 27.908 17.270 ( -0.000 -1.782 0.203) 1.794 19.544 ( -0.000 5.651 2.952) 6.376 20.580 ( 0.000 29.547 -3.571) 29.762 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.259 ( -0.000 0.000 1.529) 1.529 0.259 ( -0.000 0.000 1.529) 1.529 0.586 ( -0.000 0.000 5.471) 5.471 2.480 ( 0.000 -0.000 -0.172) 0.172 2.480 ( 0.000 -0.000 -0.172) 0.172 3.607 ( -0.000 0.000 0.048) 0.048 3.607 ( -0.000 0.000 0.048) 0.048 3.875 ( 0.000 -0.000 -1.874) 1.874 5.042 ( 0.000 -0.000 -0.015) 0.015 5.042 ( 0.000 -0.000 -0.015) 0.015 6.144 ( 0.000 -0.000 -0.616) 0.616 8.785 ( -0.000 0.000 3.144) 3.144 14.826 ( 0.000 -0.000 -0.031) 0.031 14.826 ( 0.000 -0.000 -0.031) 0.031 17.153 ( -0.000 0.000 0.467) 0.467 17.334 ( 0.000 0.000 -0.002) 0.002 17.334 ( 0.000 -0.000 -0.002) 0.002 19.367 ( 0.000 -0.000 -1.335) 1.335 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 8.567 4.946 2.427) 10.186 0.698 ( 25.651 14.809 -0.315) 29.620 1.096 ( 43.444 25.082 0.666) 50.169 2.516 ( 2.998 1.731 -0.045) 3.462 2.651 ( 13.274 7.664 0.236) 15.329 3.618 ( 0.925 0.534 0.017) 1.069 3.673 ( -1.051 -0.607 -0.865) 1.490 3.991 ( 14.861 8.580 -1.580) 17.233 5.077 ( 2.998 1.731 0.037) 3.462 5.214 ( 12.076 6.972 -0.306) 13.947 6.193 ( 5.529 3.192 0.158) 6.386 8.649 ( -9.196 -5.309 1.761) 10.764 14.752 ( -6.315 -3.646 0.085) 7.292 15.767 ( 35.273 20.365 -6.271) 41.209 17.013 ( -24.452 -14.117 -0.530) 28.239 17.326 ( -0.694 -0.401 -0.112) 0.810 17.816 ( 67.208 38.802 -3.455) 77.681 19.383 ( 2.367 1.367 0.800) 2.848 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 22.546 13.017 -0.199) 26.034 1.293 ( 25.512 14.730 -0.610) 29.466 2.043 ( 37.800 21.824 -0.232) 43.649 2.611 ( 5.086 2.936 0.045) 5.873 3.010 ( 16.464 9.505 0.761) 19.026 3.611 ( -2.341 -1.351 -0.351) 2.725 3.649 ( 1.791 1.034 -0.022) 2.069 4.457 ( 24.100 13.914 -0.246) 27.830 5.175 ( 5.442 3.142 0.092) 6.285 5.428 ( 4.515 2.607 -0.040) 5.214 6.470 ( 19.134 11.047 -0.637) 22.103 8.429 ( -10.046 -5.800 0.535) 11.613 14.542 ( -11.819 -6.823 0.174) 13.648 15.957 ( -6.761 -3.904 -0.986) 7.869 16.368 ( -29.231 -16.876 -1.391) 33.781 17.303 ( -1.261 -0.728 -0.193) 1.468 19.348 ( 26.436 15.263 -15.730) 34.340 19.655 ( 42.106 24.310 14.506) 50.738 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -0.000 9.669 2.010) 9.876 0.695 ( -0.000 29.571 0.924) 29.585 1.100 ( -0.000 49.945 -0.458) 49.947 2.516 ( -0.000 3.480 -0.129) 3.482 2.652 ( -0.000 15.468 -0.050) 15.468 3.618 ( -0.000 1.063 0.034) 1.063 3.672 ( 0.000 -1.194 -0.617) 1.344 3.989 ( -0.000 17.232 -0.987) 17.260 5.077 ( -0.000 3.477 -0.055) 3.478 5.212 ( -0.000 13.901 0.196) 13.903 6.191 ( -0.000 6.124 0.895) 6.189 8.651 ( 0.000 -10.684 0.897) 10.721 14.753 ( 0.000 -7.262 -0.109) 7.263 15.756 ( -0.000 40.918 -2.807) 41.014 17.011 ( 0.000 -28.536 0.176) 28.537 17.325 ( -0.000 -0.833 0.105) 0.839 17.804 ( -0.000 75.695 0.431) 75.697 19.393 ( 0.000 4.363 -2.502) 5.030 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 11.323 19.612 -0.000) 22.646 1.193 ( 16.122 27.924 -0.000) 32.244 1.780 ( 22.340 38.694 -0.000) 44.680 2.584 ( 2.823 4.890 -0.000) 5.647 2.908 ( 9.377 16.242 -0.000) 18.754 3.622 ( -1.878 -3.252 -0.000) 3.756 3.648 ( 1.411 2.444 -0.000) 2.822 4.305 ( 12.394 21.466 -0.000) 24.787 5.175 ( 4.126 7.146 -0.000) 8.252 5.375 ( 4.015 6.955 -0.000) 8.030 6.352 ( 8.209 14.218 -0.000) 16.418 8.490 ( -5.726 -9.917 -0.000) 11.451 14.622 ( -5.438 -9.419 -0.000) 10.876 15.978 ( -0.919 -1.592 -0.000) 1.838 16.543 ( -17.195 -29.783 -0.000) 34.391 17.293 ( -0.955 -1.655 -0.000) 1.911 19.098 ( 42.063 72.855 -0.000) 84.126 19.465 ( 3.437 5.953 0.000) 6.873 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 1.56e-04 1.56e-04 1.84e-05 1.84e-05 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( -0.000 0.000 0.000) 0.000 0.264 ( -0.000 0.000 0.000) 0.000 0.604 ( -0.000 0.000 0.000) 0.000 2.480 ( -0.000 0.000 0.000) 0.000 2.480 ( -0.000 0.000 0.000) 0.000 3.607 ( -0.000 0.000 0.000) 0.000 3.607 ( -0.000 0.000 0.000) 0.000 3.869 ( -0.000 0.000 0.000) 0.000 5.042 ( -0.000 0.000 0.000) 0.000 5.042 ( -0.000 0.000 0.000) 0.000 6.143 ( -0.000 0.000 0.000) 0.000 8.795 ( -0.000 0.000 0.000) 0.000 14.826 ( -0.000 0.000 0.000) 0.000 14.826 ( -0.000 0.000 0.000) 0.000 17.154 ( -0.000 0.000 0.000) 0.000 17.334 ( -0.000 0.000 0.000) 0.000 17.334 ( -0.000 0.000 0.000) 0.000 19.363 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/73728 10.0 10.360 10.360 0.098 0.000 -0.000 -0.000 3/73728 20.0 25.945 25.945 0.077 0.000 -0.000 -0.000 3/73728 30.0 34.800 34.800 0.114 0.000 -0.000 -0.000 3/73728 40.0 36.149 36.149 0.166 0.000 -0.000 -0.000 3/73728 50.0 34.291 34.291 0.198 0.000 -0.000 -0.000 3/73728 60.0 31.531 31.531 0.210 0.000 -0.000 -0.000 3/73728 70.0 28.756 28.756 0.210 0.000 -0.000 -0.000 3/73728 80.0 26.248 26.248 0.204 0.000 -0.000 -0.000 3/73728 90.0 24.061 24.061 0.195 0.000 -0.000 -0.000 3/73728 100.0 22.173 22.173 0.186 0.000 -0.000 -0.000 3/73728 110.0 20.542 20.542 0.178 0.000 -0.000 -0.000 3/73728 120.0 19.126 19.126 0.170 0.000 -0.000 -0.000 3/73728 130.0 17.889 17.889 0.163 0.000 -0.000 -0.000 3/73728 140.0 16.800 16.800 0.158 0.000 -0.000 -0.000 3/73728 150.0 15.836 15.836 0.152 0.000 -0.000 -0.000 3/73728 160.0 14.977 14.977 0.148 0.000 -0.000 -0.000 3/73728 170.0 14.206 14.206 0.144 0.000 -0.000 -0.000 3/73728 180.0 13.511 13.511 0.140 0.000 -0.000 -0.000 3/73728 190.0 12.882 12.882 0.136 0.000 -0.000 -0.000 3/73728 200.0 12.309 12.309 0.133 0.000 -0.000 -0.000 3/73728 210.0 11.785 11.785 0.131 0.000 -0.000 -0.000 3/73728 220.0 11.304 11.304 0.128 0.000 -0.000 -0.000 3/73728 230.0 10.862 10.862 0.125 0.000 -0.000 -0.000 3/73728 240.0 10.453 10.453 0.123 0.000 -0.000 -0.000 3/73728 250.0 10.073 10.073 0.121 0.000 -0.000 -0.000 3/73728 260.0 9.721 9.721 0.118 0.000 -0.000 -0.000 3/73728 270.0 9.392 9.392 0.116 0.000 -0.000 -0.000 3/73728 280.0 9.085 9.085 0.114 0.000 -0.000 -0.000 3/73728 290.0 8.798 8.798 0.112 0.000 -0.000 -0.000 3/73728 300.0 8.528 8.528 0.110 0.000 -0.000 -0.000 3/73728 310.0 8.274 8.274 0.108 0.000 -0.000 -0.000 3/73728 320.0 8.035 8.035 0.106 0.000 -0.000 -0.000 3/73728 330.0 7.810 7.810 0.104 0.000 -0.000 -0.000 3/73728 340.0 7.596 7.596 0.103 0.000 -0.000 -0.000 3/73728 350.0 7.394 7.394 0.101 0.000 -0.000 -0.000 3/73728 360.0 7.203 7.203 0.099 0.000 -0.000 -0.000 3/73728 370.0 7.021 7.021 0.097 0.000 -0.000 -0.000 3/73728 380.0 6.848 6.848 0.096 0.000 -0.000 -0.000 3/73728 390.0 6.683 6.683 0.094 0.000 -0.000 -0.000 3/73728 400.0 6.526 6.526 0.093 0.000 -0.000 -0.000 3/73728 410.0 6.376 6.376 0.091 0.000 -0.000 -0.000 3/73728 420.0 6.233 6.233 0.090 0.000 -0.000 -0.000 3/73728 430.0 6.096 6.096 0.088 0.000 -0.000 -0.000 3/73728 440.0 5.965 5.965 0.087 0.000 -0.000 -0.000 3/73728 450.0 5.840 5.840 0.085 0.000 -0.000 -0.000 3/73728 460.0 5.719 5.719 0.084 0.000 -0.000 -0.000 3/73728 470.0 5.604 5.604 0.083 0.000 -0.000 -0.000 3/73728 480.0 5.493 5.493 0.082 0.000 -0.000 -0.000 3/73728 490.0 5.386 5.386 0.080 0.000 -0.000 -0.000 3/73728 500.0 5.283 5.283 0.079 0.000 -0.000 -0.000 3/73728 510.0 5.185 5.185 0.078 0.000 -0.000 -0.000 3/73728 520.0 5.089 5.089 0.077 0.000 -0.000 -0.000 3/73728 530.0 4.997 4.997 0.076 0.000 -0.000 -0.000 3/73728 540.0 4.909 4.909 0.075 0.000 -0.000 -0.000 3/73728 550.0 4.823 4.823 0.073 0.000 -0.000 -0.000 3/73728 560.0 4.741 4.741 0.072 0.000 -0.000 -0.000 3/73728 570.0 4.661 4.661 0.071 0.000 -0.000 -0.000 3/73728 580.0 4.584 4.584 0.070 0.000 -0.000 -0.000 3/73728 590.0 4.509 4.509 0.069 0.000 -0.000 -0.000 3/73728 600.0 4.437 4.437 0.069 0.000 -0.000 -0.000 3/73728 610.0 4.367 4.367 0.068 0.000 -0.000 -0.000 3/73728 620.0 4.299 4.299 0.067 0.000 -0.000 -0.000 3/73728 630.0 4.233 4.233 0.066 0.000 -0.000 -0.000 3/73728 640.0 4.169 4.169 0.065 0.000 -0.000 -0.000 3/73728 650.0 4.107 4.107 0.064 0.000 -0.000 -0.000 3/73728 660.0 4.047 4.047 0.063 0.000 -0.000 -0.000 3/73728 670.0 3.989 3.989 0.063 0.000 -0.000 -0.000 3/73728 680.0 3.932 3.932 0.062 0.000 -0.000 -0.000 3/73728 690.0 3.877 3.877 0.061 0.000 -0.000 -0.000 3/73728 700.0 3.823 3.823 0.060 0.000 -0.000 -0.000 3/73728 710.0 3.771 3.771 0.060 0.000 -0.000 -0.000 3/73728 720.0 3.720 3.720 0.059 0.000 -0.000 -0.000 3/73728 730.0 3.671 3.671 0.058 0.000 -0.000 -0.000 3/73728 740.0 3.623 3.623 0.057 0.000 -0.000 -0.000 3/73728 750.0 3.576 3.576 0.057 0.000 -0.000 -0.000 3/73728 760.0 3.530 3.530 0.056 0.000 -0.000 -0.000 3/73728 770.0 3.486 3.486 0.055 0.000 -0.000 -0.000 3/73728 780.0 3.442 3.442 0.055 0.000 -0.000 -0.000 3/73728 790.0 3.400 3.400 0.054 0.000 -0.000 -0.000 3/73728 800.0 3.358 3.358 0.054 0.000 -0.000 -0.000 3/73728 810.0 3.318 3.318 0.053 0.000 -0.000 -0.000 3/73728 820.0 3.279 3.279 0.052 0.000 -0.000 -0.000 3/73728 830.0 3.240 3.240 0.052 0.000 -0.000 -0.000 3/73728 840.0 3.202 3.202 0.051 0.000 -0.000 -0.000 3/73728 850.0 3.166 3.166 0.051 0.000 -0.000 -0.000 3/73728 860.0 3.130 3.130 0.050 0.000 -0.000 -0.000 3/73728 870.0 3.095 3.095 0.050 0.000 -0.000 -0.000 3/73728 880.0 3.060 3.060 0.049 0.000 -0.000 -0.000 3/73728 890.0 3.027 3.027 0.049 0.000 -0.000 -0.000 3/73728 900.0 2.994 2.994 0.048 0.000 -0.000 -0.000 3/73728 910.0 2.962 2.962 0.048 0.000 -0.000 -0.000 3/73728 920.0 2.930 2.930 0.047 0.000 -0.000 -0.000 3/73728 930.0 2.899 2.899 0.047 0.000 -0.000 -0.000 3/73728 940.0 2.869 2.869 0.046 0.000 -0.000 -0.000 3/73728 950.0 2.840 2.840 0.046 0.000 -0.000 -0.000 3/73728 960.0 2.811 2.811 0.046 0.000 -0.000 -0.000 3/73728 970.0 2.782 2.782 0.045 0.000 -0.000 -0.000 3/73728 980.0 2.755 2.755 0.045 0.000 -0.000 -0.000 3/73728 990.0 2.727 2.727 0.044 0.000 -0.000 -0.000 3/73728 1000.0 2.701 2.701 0.044 0.000 -0.000 -0.000 3/73728 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:27:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|