----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:28:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.944399207085006 1.122599405622621 6.180676273333327 b -1.944399207085001 1.122599405622621 6.180676273333327 c 0.000000000000001 -2.245198811245245 6.180676273333327 Atomic positions (fractional): *1 O 0.10663296313520 0.10663296313521 0.10663296313520 15.999 *2 O 0.35961339147004 0.35961339147004 0.35961339147004 15.999 3 O 0.64038660852996 0.64038660852996 0.64038660852996 15.999 4 O 0.89336703686480 0.89336703686480 0.89336703686480 15.999 *5 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 *6 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.888798414170007 0.000000000000000 0.000000000000000 b -1.944399207085003 3.367798216867865 0.000000000000000 c 0.000000000000000 0.000000000000000 18.542028819999999 Atomic positions (fractional): *1 O 0.33333333333333 0.66666666666667 0.77329962980187 15.999 > 1 *2 O 0.66666666666667 0.33333333333333 0.69294672480337 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.97371994186329 15.999 > 3 4 O 0.00000000000000 0.00000000000000 0.89336703686480 15.999 > 4 5 O 0.00000000000000 0.00000000000000 0.10663296313520 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.02628005813671 15.999 > 2 7 O 0.33333333333333 0.66666666666667 0.30705327519663 15.999 > 3 8 O 0.66666666666667 0.33333333333333 0.22670037019813 15.999 > 4 9 O 0.66666666666667 0.33333333333333 0.43996629646854 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.35961339147004 15.999 > 2 11 O 0.00000000000000 0.00000000000000 0.64038660852996 15.999 > 3 12 O 0.33333333333333 0.66666666666667 0.56003370353146 15.999 > 4 *13 Sr 0.66666666666667 0.33333333333333 0.83333333333333 87.620 > 5 14 Sr 0.33333333333333 0.66666666666667 0.16666666666667 87.620 > 5 15 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 5 *16 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 6 17 U 0.66666666666667 0.33333333333333 0.33333333333333 238.029 > 6 18 U 0.33333333333333 0.66666666666667 0.66666666666667 238.029 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.777596828340014 0.000000000000000 0.000000000000000 b -3.888798414170006 6.735596433735730 0.000000000000000 c 0.000000000000000 0.000000000000000 18.542028819999999 Atomic positions (fractional): *1 O 0.16666666666667 0.33333333333333 0.77329962980187 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.77329962980187 15.999 > 1 3 O 0.16666666666667 0.83333333333333 0.77329962980187 15.999 > 1 4 O 0.66666666666667 0.83333333333333 0.77329962980187 15.999 > 1 *5 O 0.33333333333333 0.16666666666667 0.69294672480337 15.999 > 2 6 O 0.83333333333333 0.16666666666667 0.69294672480337 15.999 > 2 7 O 0.33333333333333 0.66666666666667 0.69294672480337 15.999 > 2 8 O 0.83333333333333 0.66666666666667 0.69294672480337 15.999 > 2 9 O 0.33333333333333 0.16666666666667 0.97371994186329 15.999 > 3 10 O 0.83333333333333 0.16666666666667 0.97371994186329 15.999 > 3 11 O 0.33333333333333 0.66666666666667 0.97371994186329 15.999 > 3 12 O 0.83333333333333 0.66666666666667 0.97371994186329 15.999 > 3 13 O 0.00000000000000 0.00000000000000 0.89336703686480 15.999 > 4 14 O 0.50000000000000 0.00000000000000 0.89336703686480 15.999 > 4 15 O 0.00000000000000 0.50000000000000 0.89336703686480 15.999 > 4 16 O 0.50000000000000 0.50000000000000 0.89336703686480 15.999 > 4 17 O 0.00000000000000 0.00000000000000 0.10663296313520 15.999 > 1 18 O 0.50000000000000 0.00000000000000 0.10663296313520 15.999 > 1 19 O 0.00000000000000 0.50000000000000 0.10663296313520 15.999 > 1 20 O 0.50000000000000 0.50000000000000 0.10663296313520 15.999 > 1 21 O 0.16666666666667 0.33333333333333 0.02628005813671 15.999 > 2 22 O 0.66666666666667 0.33333333333333 0.02628005813671 15.999 > 2 23 O 0.16666666666667 0.83333333333333 0.02628005813671 15.999 > 2 24 O 0.66666666666667 0.83333333333333 0.02628005813671 15.999 > 2 25 O 0.16666666666667 0.33333333333333 0.30705327519663 15.999 > 3 26 O 0.66666666666667 0.33333333333333 0.30705327519663 15.999 > 3 27 O 0.16666666666667 0.83333333333333 0.30705327519663 15.999 > 3 28 O 0.66666666666667 0.83333333333333 0.30705327519663 15.999 > 3 29 O 0.33333333333333 0.16666666666667 0.22670037019813 15.999 > 4 30 O 0.83333333333333 0.16666666666667 0.22670037019813 15.999 > 4 31 O 0.33333333333333 0.66666666666667 0.22670037019813 15.999 > 4 32 O 0.83333333333333 0.66666666666667 0.22670037019813 15.999 > 4 33 O 0.33333333333333 0.16666666666667 0.43996629646854 15.999 > 1 34 O 0.83333333333333 0.16666666666667 0.43996629646854 15.999 > 1 35 O 0.33333333333333 0.66666666666667 0.43996629646854 15.999 > 1 36 O 0.83333333333333 0.66666666666667 0.43996629646854 15.999 > 1 37 O 0.00000000000000 0.00000000000000 0.35961339147004 15.999 > 2 38 O 0.50000000000000 0.00000000000000 0.35961339147004 15.999 > 2 39 O 0.00000000000000 0.50000000000000 0.35961339147004 15.999 > 2 40 O 0.50000000000000 0.50000000000000 0.35961339147004 15.999 > 2 41 O 0.00000000000000 0.00000000000000 0.64038660852996 15.999 > 3 42 O 0.50000000000000 0.00000000000000 0.64038660852996 15.999 > 3 43 O 0.00000000000000 0.50000000000000 0.64038660852996 15.999 > 3 44 O 0.50000000000000 0.50000000000000 0.64038660852996 15.999 > 3 45 O 0.16666666666667 0.33333333333333 0.56003370353146 15.999 > 4 46 O 0.66666666666667 0.33333333333333 0.56003370353146 15.999 > 4 47 O 0.16666666666667 0.83333333333333 0.56003370353146 15.999 > 4 48 O 0.66666666666667 0.83333333333333 0.56003370353146 15.999 > 4 *49 Sr 0.33333333333333 0.16666666666667 0.83333333333333 87.620 > 5 50 Sr 0.83333333333333 0.16666666666667 0.83333333333333 87.620 > 5 51 Sr 0.33333333333333 0.66666666666667 0.83333333333333 87.620 > 5 52 Sr 0.83333333333333 0.66666666666667 0.83333333333333 87.620 > 5 53 Sr 0.16666666666667 0.33333333333333 0.16666666666667 87.620 > 5 54 Sr 0.66666666666667 0.33333333333333 0.16666666666667 87.620 > 5 55 Sr 0.16666666666667 0.83333333333333 0.16666666666667 87.620 > 5 56 Sr 0.66666666666667 0.83333333333333 0.16666666666667 87.620 > 5 57 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 5 58 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 5 59 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 5 60 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 5 *61 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 6 62 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 6 63 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 6 64 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 6 65 U 0.33333333333333 0.16666666666667 0.33333333333333 238.029 > 6 66 U 0.83333333333333 0.16666666666667 0.33333333333333 238.029 > 6 67 U 0.33333333333333 0.66666666666667 0.33333333333333 238.029 > 6 68 U 0.83333333333333 0.66666666666667 0.33333333333333 238.029 > 6 69 U 0.16666666666667 0.33333333333333 0.66666666666667 238.029 > 6 70 U 0.66666666666667 0.33333333333333 0.66666666666667 238.029 > 6 71 U 0.16666666666667 0.83333333333333 0.66666666666667 238.029 > 6 72 U 0.66666666666667 0.83333333333333 0.66666666666667 238.029 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8382589 0.0000000 0.0000000 0.0000000 6.8382589 0.0000000 0.0000000 0.0000000 4.9400682 -------------------------- Born effective charges -------------------------- 1 O -1.4110311 0.0000000 0.0000000 -0.0000000 -1.4110311 0.0000000 0.0000000 0.0000000 -3.7122331 2 O -3.5765776 0.0000000 0.0000000 0.0000000 -3.5765776 0.0000000 0.0000000 0.0000000 -0.9205904 3 O -3.5765776 0.0000000 0.0000000 0.0000000 -3.5765776 0.0000000 0.0000000 0.0000000 -0.9205904 4 O -1.4110311 0.0000000 0.0000000 -0.0000000 -1.4110311 0.0000000 0.0000000 0.0000000 -3.7122331 5 Sr 2.3106885 0.0000000 0.0000000 -0.0000000 2.3106885 0.0000000 0.0000000 0.0000000 3.6941591 6 U 7.6645290 -0.0000000 0.0000000 -0.0000000 7.6645290 0.0000000 0.0000000 0.0000000 5.5714880 ---------------------------------------------------------------------------- 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: 2664/2664 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 226 Number of blocks in projector: 248 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (226, 218), data: False |-- (56, 56), data: True |-- (68, 64), data: True |-- (102, 98), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 80 / 80 - Time: 0.061 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.064 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 216/216 Permutation basis: 2664/2664 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 226 Number of blocks in projector: 248 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (226, 218), data: False |-- (56, 56), data: True |-- (68, 64), data: True |-- (102, 98), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:28:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:28:51]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.944399207085006 1.122599405622621 6.180676273333327 b -1.944399207085001 1.122599405622621 6.180676273333327 c 0.000000000000001 -2.245198811245245 6.180676273333327 Atomic positions (fractional): 1 O 0.10663296313520 0.10663296313521 0.10663296313520 15.999 2 O 0.35961339147004 0.35961339147004 0.35961339147004 15.999 3 O 0.64038660852996 0.64038660852996 0.64038660852996 15.999 4 O 0.89336703686480 0.89336703686480 0.89336703686480 15.999 5 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 6 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.777596828340014 0.000000000000000 0.000000000000000 b -3.888798414170006 6.735596433735730 0.000000000000000 c 0.000000000000000 0.000000000000000 18.542028819999999 Atomic positions (fractional): 1 O 0.16666666666667 0.33333333333333 0.77329962980187 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.77329962980187 15.999 > 1 3 O 0.16666666666667 0.83333333333333 0.77329962980187 15.999 > 1 4 O 0.66666666666667 0.83333333333333 0.77329962980187 15.999 > 1 5 O 0.33333333333333 0.16666666666667 0.69294672480337 15.999 > 5 6 O 0.83333333333333 0.16666666666667 0.69294672480337 15.999 > 5 7 O 0.33333333333333 0.66666666666667 0.69294672480337 15.999 > 5 8 O 0.83333333333333 0.66666666666667 0.69294672480337 15.999 > 5 9 O 0.33333333333333 0.16666666666667 0.97371994186329 15.999 > 9 10 O 0.83333333333333 0.16666666666667 0.97371994186329 15.999 > 9 11 O 0.33333333333333 0.66666666666667 0.97371994186329 15.999 > 9 12 O 0.83333333333333 0.66666666666667 0.97371994186329 15.999 > 9 13 O 0.00000000000000 0.00000000000000 0.89336703686480 15.999 > 13 14 O 0.50000000000000 0.00000000000000 0.89336703686480 15.999 > 13 15 O 0.00000000000000 0.50000000000000 0.89336703686480 15.999 > 13 16 O 0.50000000000000 0.50000000000000 0.89336703686480 15.999 > 13 17 O 0.00000000000000 0.00000000000000 0.10663296313520 15.999 > 1 18 O 0.50000000000000 0.00000000000000 0.10663296313520 15.999 > 1 19 O 0.00000000000000 0.50000000000000 0.10663296313520 15.999 > 1 20 O 0.50000000000000 0.50000000000000 0.10663296313520 15.999 > 1 21 O 0.16666666666667 0.33333333333333 0.02628005813671 15.999 > 5 22 O 0.66666666666667 0.33333333333333 0.02628005813671 15.999 > 5 23 O 0.16666666666667 0.83333333333333 0.02628005813671 15.999 > 5 24 O 0.66666666666667 0.83333333333333 0.02628005813671 15.999 > 5 25 O 0.16666666666667 0.33333333333333 0.30705327519663 15.999 > 9 26 O 0.66666666666667 0.33333333333333 0.30705327519663 15.999 > 9 27 O 0.16666666666667 0.83333333333333 0.30705327519663 15.999 > 9 28 O 0.66666666666667 0.83333333333333 0.30705327519663 15.999 > 9 29 O 0.33333333333333 0.16666666666667 0.22670037019813 15.999 > 13 30 O 0.83333333333333 0.16666666666667 0.22670037019813 15.999 > 13 31 O 0.33333333333333 0.66666666666667 0.22670037019813 15.999 > 13 32 O 0.83333333333333 0.66666666666667 0.22670037019813 15.999 > 13 33 O 0.33333333333333 0.16666666666667 0.43996629646854 15.999 > 1 34 O 0.83333333333333 0.16666666666667 0.43996629646854 15.999 > 1 35 O 0.33333333333333 0.66666666666667 0.43996629646854 15.999 > 1 36 O 0.83333333333333 0.66666666666667 0.43996629646854 15.999 > 1 37 O 0.00000000000000 0.00000000000000 0.35961339147004 15.999 > 5 38 O 0.50000000000000 0.00000000000000 0.35961339147004 15.999 > 5 39 O 0.00000000000000 0.50000000000000 0.35961339147004 15.999 > 5 40 O 0.50000000000000 0.50000000000000 0.35961339147004 15.999 > 5 41 O 0.00000000000000 0.00000000000000 0.64038660852996 15.999 > 9 42 O 0.50000000000000 0.00000000000000 0.64038660852996 15.999 > 9 43 O 0.00000000000000 0.50000000000000 0.64038660852996 15.999 > 9 44 O 0.50000000000000 0.50000000000000 0.64038660852996 15.999 > 9 45 O 0.16666666666667 0.33333333333333 0.56003370353146 15.999 > 13 46 O 0.66666666666667 0.33333333333333 0.56003370353146 15.999 > 13 47 O 0.16666666666667 0.83333333333333 0.56003370353146 15.999 > 13 48 O 0.66666666666667 0.83333333333333 0.56003370353146 15.999 > 13 49 Sr 0.33333333333333 0.16666666666667 0.83333333333333 87.620 > 49 50 Sr 0.83333333333333 0.16666666666667 0.83333333333333 87.620 > 49 51 Sr 0.33333333333333 0.66666666666667 0.83333333333333 87.620 > 49 52 Sr 0.83333333333333 0.66666666666667 0.83333333333333 87.620 > 49 53 Sr 0.16666666666667 0.33333333333333 0.16666666666667 87.620 > 49 54 Sr 0.66666666666667 0.33333333333333 0.16666666666667 87.620 > 49 55 Sr 0.16666666666667 0.83333333333333 0.16666666666667 87.620 > 49 56 Sr 0.66666666666667 0.83333333333333 0.16666666666667 87.620 > 49 57 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 49 58 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 49 59 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 49 60 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 49 61 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 61 62 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 61 63 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 61 64 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 61 65 U 0.33333333333333 0.16666666666667 0.33333333333333 238.029 > 61 66 U 0.83333333333333 0.16666666666667 0.33333333333333 238.029 > 61 67 U 0.33333333333333 0.66666666666667 0.33333333333333 238.029 > 61 68 U 0.83333333333333 0.66666666666667 0.33333333333333 238.029 > 61 69 U 0.16666666666667 0.33333333333333 0.66666666666667 238.029 > 61 70 U 0.66666666666667 0.33333333333333 0.66666666666667 238.029 > 61 71 U 0.16666666666667 0.83333333333333 0.66666666666667 238.029 > 61 72 U 0.66666666666667 0.83333333333333 0.66666666666667 238.029 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8382589 0.0000000 0.0000000 0.0000000 6.8382589 0.0000000 0.0000000 0.0000000 4.9400682 -------------------------- Born effective charges -------------------------- 1 O -1.4110311 0.0000000 0.0000000 -0.0000000 -1.4110311 0.0000000 0.0000000 0.0000000 -3.7122331 2 O -3.5765776 0.0000000 0.0000000 0.0000000 -3.5765776 0.0000000 0.0000000 0.0000000 -0.9205904 3 O -3.5765776 0.0000000 0.0000000 0.0000000 -3.5765776 0.0000000 0.0000000 0.0000000 -0.9205904 4 O -1.4110311 0.0000000 0.0000000 -0.0000000 -1.4110311 0.0000000 0.0000000 0.0000000 -3.7122331 5 Sr 2.3106885 0.0000000 0.0000000 -0.0000000 2.3106885 0.0000000 0.0000000 0.0000000 3.6941591 6 U 7.6645290 -0.0000000 0.0000000 -0.0000000 7.6645290 0.0000000 0.0000000 0.0000000 5.5714880 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (yyy) -0.00000004 (yyy) -0.00000004 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:28:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:28:54]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.944399207085006 1.122599405622621 6.180676273333327 b -1.944399207085001 1.122599405622621 6.180676273333327 c 0.000000000000001 -2.245198811245245 6.180676273333327 Atomic positions (fractional): 1 O 0.10663296313520 0.10663296313521 0.10663296313520 15.999 2 O 0.35961339147004 0.35961339147004 0.35961339147004 15.999 3 O 0.64038660852996 0.64038660852996 0.64038660852996 15.999 4 O 0.89336703686480 0.89336703686480 0.89336703686480 15.999 5 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 6 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.777596828340014 0.000000000000000 0.000000000000000 b -3.888798414170006 6.735596433735730 0.000000000000000 c 0.000000000000000 0.000000000000000 18.542028819999999 Atomic positions (fractional): 1 O 0.16666666666667 0.33333333333333 0.77329962980187 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.77329962980187 15.999 > 1 3 O 0.16666666666667 0.83333333333333 0.77329962980187 15.999 > 1 4 O 0.66666666666667 0.83333333333333 0.77329962980187 15.999 > 1 5 O 0.33333333333333 0.16666666666667 0.69294672480337 15.999 > 5 6 O 0.83333333333333 0.16666666666667 0.69294672480337 15.999 > 5 7 O 0.33333333333333 0.66666666666667 0.69294672480337 15.999 > 5 8 O 0.83333333333333 0.66666666666667 0.69294672480337 15.999 > 5 9 O 0.33333333333333 0.16666666666667 0.97371994186329 15.999 > 9 10 O 0.83333333333333 0.16666666666667 0.97371994186329 15.999 > 9 11 O 0.33333333333333 0.66666666666667 0.97371994186329 15.999 > 9 12 O 0.83333333333333 0.66666666666667 0.97371994186329 15.999 > 9 13 O 0.00000000000000 0.00000000000000 0.89336703686480 15.999 > 13 14 O 0.50000000000000 0.00000000000000 0.89336703686480 15.999 > 13 15 O 0.00000000000000 0.50000000000000 0.89336703686480 15.999 > 13 16 O 0.50000000000000 0.50000000000000 0.89336703686480 15.999 > 13 17 O 0.00000000000000 0.00000000000000 0.10663296313520 15.999 > 1 18 O 0.50000000000000 0.00000000000000 0.10663296313520 15.999 > 1 19 O 0.00000000000000 0.50000000000000 0.10663296313520 15.999 > 1 20 O 0.50000000000000 0.50000000000000 0.10663296313520 15.999 > 1 21 O 0.16666666666667 0.33333333333333 0.02628005813671 15.999 > 5 22 O 0.66666666666667 0.33333333333333 0.02628005813671 15.999 > 5 23 O 0.16666666666667 0.83333333333333 0.02628005813671 15.999 > 5 24 O 0.66666666666667 0.83333333333333 0.02628005813671 15.999 > 5 25 O 0.16666666666667 0.33333333333333 0.30705327519663 15.999 > 9 26 O 0.66666666666667 0.33333333333333 0.30705327519663 15.999 > 9 27 O 0.16666666666667 0.83333333333333 0.30705327519663 15.999 > 9 28 O 0.66666666666667 0.83333333333333 0.30705327519663 15.999 > 9 29 O 0.33333333333333 0.16666666666667 0.22670037019813 15.999 > 13 30 O 0.83333333333333 0.16666666666667 0.22670037019813 15.999 > 13 31 O 0.33333333333333 0.66666666666667 0.22670037019813 15.999 > 13 32 O 0.83333333333333 0.66666666666667 0.22670037019813 15.999 > 13 33 O 0.33333333333333 0.16666666666667 0.43996629646854 15.999 > 1 34 O 0.83333333333333 0.16666666666667 0.43996629646854 15.999 > 1 35 O 0.33333333333333 0.66666666666667 0.43996629646854 15.999 > 1 36 O 0.83333333333333 0.66666666666667 0.43996629646854 15.999 > 1 37 O 0.00000000000000 0.00000000000000 0.35961339147004 15.999 > 5 38 O 0.50000000000000 0.00000000000000 0.35961339147004 15.999 > 5 39 O 0.00000000000000 0.50000000000000 0.35961339147004 15.999 > 5 40 O 0.50000000000000 0.50000000000000 0.35961339147004 15.999 > 5 41 O 0.00000000000000 0.00000000000000 0.64038660852996 15.999 > 9 42 O 0.50000000000000 0.00000000000000 0.64038660852996 15.999 > 9 43 O 0.00000000000000 0.50000000000000 0.64038660852996 15.999 > 9 44 O 0.50000000000000 0.50000000000000 0.64038660852996 15.999 > 9 45 O 0.16666666666667 0.33333333333333 0.56003370353146 15.999 > 13 46 O 0.66666666666667 0.33333333333333 0.56003370353146 15.999 > 13 47 O 0.16666666666667 0.83333333333333 0.56003370353146 15.999 > 13 48 O 0.66666666666667 0.83333333333333 0.56003370353146 15.999 > 13 49 Sr 0.33333333333333 0.16666666666667 0.83333333333333 87.620 > 49 50 Sr 0.83333333333333 0.16666666666667 0.83333333333333 87.620 > 49 51 Sr 0.33333333333333 0.66666666666667 0.83333333333333 87.620 > 49 52 Sr 0.83333333333333 0.66666666666667 0.83333333333333 87.620 > 49 53 Sr 0.16666666666667 0.33333333333333 0.16666666666667 87.620 > 49 54 Sr 0.66666666666667 0.33333333333333 0.16666666666667 87.620 > 49 55 Sr 0.16666666666667 0.83333333333333 0.16666666666667 87.620 > 49 56 Sr 0.66666666666667 0.83333333333333 0.16666666666667 87.620 > 49 57 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 49 58 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 49 59 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 49 60 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 49 61 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 61 62 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 61 63 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 61 64 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 61 65 U 0.33333333333333 0.16666666666667 0.33333333333333 238.029 > 61 66 U 0.83333333333333 0.16666666666667 0.33333333333333 238.029 > 61 67 U 0.33333333333333 0.66666666666667 0.33333333333333 238.029 > 61 68 U 0.83333333333333 0.66666666666667 0.33333333333333 238.029 > 61 69 U 0.16666666666667 0.33333333333333 0.66666666666667 238.029 > 61 70 U 0.66666666666667 0.33333333333333 0.66666666666667 238.029 > 61 71 U 0.16666666666667 0.83333333333333 0.66666666666667 238.029 > 61 72 U 0.66666666666667 0.83333333333333 0.66666666666667 238.029 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8382589 0.0000000 0.0000000 0.0000000 6.8382589 0.0000000 0.0000000 0.0000000 4.9400682 -------------------------- Born effective charges -------------------------- 1 O -1.4110311 0.0000000 0.0000000 -0.0000000 -1.4110311 0.0000000 0.0000000 0.0000000 -3.7122331 2 O -3.5765776 0.0000000 0.0000000 0.0000000 -3.5765776 0.0000000 0.0000000 0.0000000 -0.9205904 3 O -3.5765776 0.0000000 0.0000000 0.0000000 -3.5765776 0.0000000 0.0000000 0.0000000 -0.9205904 4 O -1.4110311 0.0000000 0.0000000 -0.0000000 -1.4110311 0.0000000 0.0000000 0.0000000 -3.7122331 5 Sr 2.3106885 0.0000000 0.0000000 -0.0000000 2.3106885 0.0000000 0.0000000 0.0000000 3.6941591 6 U 7.6645290 -0.0000000 0.0000000 -0.0000000 7.6645290 0.0000000 0.0000000 0.0000000 5.5714880 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (yyy) -0.00000004 (yyy) -0.00000004 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.96, Number of G-points: 311, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 8.465 ( 0.000 0.000 0.000) 0.000 8.465 ( 0.000 0.000 0.000) 0.000 10.176 ( 0.000 0.000 0.000) 0.000 10.176 ( 0.000 0.000 0.000) 0.000 10.716 ( 0.000 0.000 0.000) 0.000 10.985 ( 0.000 0.000 0.000) 0.000 10.985 ( 0.000 0.000 0.000) 0.000 11.115 ( 0.000 0.000 0.000) 0.000 15.308 ( 0.000 0.000 0.000) 0.000 15.308 ( 0.000 0.000 0.000) 0.000 16.952 ( 0.000 0.000 0.000) 0.000 20.731 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 24.482 14.135 6.240) 28.950 0.667 ( 29.581 17.078 -2.820) 34.273 1.073 ( 43.903 25.347 14.810) 52.814 3.722 ( 1.460 0.843 -1.924) 2.558 3.839 ( 8.571 4.948 -0.799) 9.929 5.287 ( -4.606 -2.659 4.992) 7.294 8.409 ( -4.714 -2.722 -1.331) 5.604 9.721 ( -30.704 -17.727 -8.487) 36.456 10.116 ( -5.894 -3.403 7.729) 10.299 10.319 ( -20.410 -11.784 1.594) 23.621 11.029 ( 4.375 2.526 -6.179) 7.981 11.285 ( 14.692 8.483 5.445) 17.818 11.377 ( 20.785 12.000 -6.411) 24.842 14.778 ( 0.838 0.484 -136.510) 136.514 15.326 ( 1.477 0.853 0.365) 1.745 15.582 ( 25.243 14.574 -84.490) 89.376 17.494 ( -30.547 -17.637 213.772) 216.662 20.672 ( -5.228 -3.018 1.039) 6.125 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 22.172 12.801 6.712) 26.467 1.330 ( 29.116 16.810 -2.291) 33.698 2.098 ( 40.965 23.651 14.011) 49.334 3.755 ( 2.084 1.203 -3.814) 4.509 4.107 ( 14.592 8.425 -1.089) 16.884 5.165 ( -6.609 -3.815 -0.603) 7.655 8.239 ( -9.714 -5.608 -1.252) 11.286 8.908 ( -35.564 -20.533 -10.369) 42.355 9.846 ( -21.463 -12.392 2.421) 24.901 9.999 ( -6.342 -3.662 9.513) 12.005 11.117 ( 5.110 2.950 -7.728) 9.723 11.568 ( 9.453 5.458 -0.928) 10.954 11.833 ( 19.454 11.232 -3.364) 22.714 14.284 ( -12.247 -7.071 -62.796) 64.369 15.375 ( 2.488 1.437 0.617) 2.939 15.783 ( 12.557 7.250 -45.761) 48.003 17.593 ( -11.317 -6.534 106.686) 107.484 20.509 ( -9.077 -5.240 1.330) 10.565 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 18.884 10.903 7.424) 23.035 1.978 ( 28.068 16.205 -1.491) 32.445 3.031 ( 36.113 20.850 12.945) 43.663 3.780 ( 1.352 0.780 -5.613) 5.826 4.471 ( 17.144 9.898 -2.054) 19.902 4.993 ( -7.627 -4.404 -2.728) 9.220 7.966 ( -13.683 -7.900 0.382) 15.804 8.082 ( -32.545 -18.790 -8.729) 38.580 9.357 ( -22.206 -12.821 2.826) 25.797 9.916 ( -3.297 -1.903 7.047) 8.010 11.195 ( 3.833 2.213 -6.474) 7.842 11.701 ( 3.374 1.948 -6.829) 7.862 12.234 ( 16.456 9.501 -1.895) 19.096 13.784 ( -15.416 -8.900 -37.247) 41.282 15.439 ( 2.846 1.643 0.701) 3.360 15.822 ( 2.826 1.631 -30.473) 30.647 17.737 ( -3.915 -2.260 68.978) 69.126 20.284 ( -10.590 -6.114 0.667) 12.246 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 15.309 8.839 8.208) 19.490 2.595 ( 26.084 15.059 -0.503) 30.123 3.766 ( -0.727 -0.420 -7.179) 7.228 3.826 ( 29.029 16.760 12.205) 35.672 4.795 ( -1.312 -0.757 -16.884) 16.952 4.864 ( 10.552 6.092 9.658) 15.548 7.405 ( -23.929 -13.815 -3.638) 27.869 7.639 ( -14.732 -8.505 2.266) 17.161 8.852 ( -22.723 -13.119 2.383) 26.346 9.900 ( 0.133 0.077 3.335) 3.339 11.243 ( 2.008 1.159 -4.240) 4.832 11.681 ( -1.959 -1.131 -11.472) 11.693 12.567 ( 13.054 7.537 -1.812) 15.182 13.329 ( -14.673 -8.472 -21.712) 27.540 15.505 ( 2.646 1.528 0.631) 3.120 15.703 ( -4.626 -2.671 -21.387) 22.044 17.903 ( -0.004 -0.003 47.467) 47.467 20.047 ( -9.784 -5.649 -0.523) 11.309 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 12.071 6.969 8.749) 16.456 3.156 ( 22.702 13.107 0.618) 26.222 3.690 ( -3.455 -1.995 -8.216) 9.133 4.381 ( 10.747 6.205 11.269) 16.762 4.695 ( 4.726 2.729 -9.322) 10.802 5.178 ( 11.974 6.913 0.398) 13.832 6.992 ( -11.785 -6.804 2.887) 13.912 7.333 ( -12.472 -7.201 3.154) 14.743 8.339 ( -22.481 -12.979 0.871) 25.973 9.936 ( 2.266 1.308 0.393) 2.646 11.258 ( 0.400 0.231 -2.044) 2.096 11.549 ( -5.145 -2.970 -13.387) 14.646 12.771 ( 2.442 1.410 -7.847) 8.338 13.012 ( -4.799 -2.771 -5.376) 7.721 15.484 ( -8.231 -4.752 -14.487) 17.326 15.562 ( 2.084 1.203 0.468) 2.451 18.069 ( 1.839 1.062 31.910) 31.981 19.844 ( -7.551 -4.360 -1.523) 8.851 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 9.217 5.321 8.396) 13.556 3.556 ( -5.365 -3.097 -8.130) 10.221 3.624 ( 17.503 10.105 1.803) 20.291 4.359 ( -6.155 -3.553 -0.923) 7.167 4.987 ( 13.886 8.017 1.319) 16.089 5.395 ( 6.974 4.027 -0.273) 8.058 6.880 ( -0.074 -0.043 7.145) 7.146 7.107 ( -8.005 -4.622 2.635) 9.612 7.843 ( -20.378 -11.765 -1.642) 23.588 9.994 ( 2.538 1.466 -0.899) 3.066 11.251 ( -0.446 -0.258 -0.556) 0.758 11.378 ( -5.250 -3.031 -11.055) 12.608 12.615 ( -7.252 -4.187 -7.448) 11.207 13.083 ( 5.380 3.106 0.997) 6.291 15.257 ( -7.306 -4.218 -8.479) 11.961 15.602 ( 1.319 0.761 0.274) 1.547 18.207 ( 1.992 1.150 18.785) 18.926 19.696 ( -4.734 -2.733 -1.697) 5.724 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 4.586 2.648 4.696) 7.078 3.417 ( -3.610 -2.084 -4.608) 6.214 3.958 ( 10.696 6.175 2.544) 12.610 4.202 ( -6.703 -3.870 -2.623) 8.172 5.217 ( 5.175 2.988 1.077) 6.072 5.497 ( 2.146 1.239 -0.249) 2.490 6.991 ( -2.710 -1.565 1.012) 3.289 6.998 ( 6.568 3.792 6.206) 9.800 7.429 ( -13.438 -7.758 -3.660) 15.943 10.035 ( 1.093 0.631 -0.541) 1.373 11.240 ( -0.311 -0.179 -0.027) 0.360 11.259 ( -2.221 -1.282 -4.336) 5.038 12.479 ( -2.771 -1.600 -2.256) 3.915 13.175 ( 2.083 1.203 0.361) 2.433 15.115 ( -2.875 -1.660 -2.804) 4.345 15.623 ( 0.450 0.260 0.089) 0.528 18.286 ( 0.842 0.486 6.273) 6.348 19.619 ( -1.625 -0.938 -0.758) 2.024 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -0.000 26.453 12.491) 29.254 0.736 ( -0.000 33.275 8.259) 34.284 1.089 ( -0.000 47.564 18.446) 51.016 3.729 ( 0.000 2.291 -0.753) 2.412 3.819 ( 0.000 9.368 -4.417) 10.357 5.331 ( -0.000 -8.015 12.047) 14.469 8.421 ( -0.000 -5.302 0.892) 5.376 9.796 ( 0.000 -33.106 5.116) 33.499 10.019 ( 0.000 -8.757 -9.774) 13.124 10.295 ( 0.000 -24.156 -2.647) 24.301 11.108 ( -0.000 6.593 8.094) 10.440 11.222 ( 0.000 19.095 -6.946) 20.319 11.425 ( -0.000 23.316 3.282) 23.546 14.174 ( 0.000 67.404 -222.710) 232.687 15.322 ( 0.000 1.524 -0.514) 1.608 15.332 ( 0.000 6.175 -12.622) 14.052 18.272 ( -0.000 -75.880 214.681) 227.697 20.679 ( -0.000 -6.130 2.532) 6.633 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 12.654 22.440 10.127) 27.680 1.232 ( 13.560 30.368 3.530) 33.445 1.860 ( 25.879 37.942 17.795) 49.254 3.752 ( 0.108 3.767 -2.800) 4.695 3.989 ( 8.845 11.405 -4.583) 15.143 5.233 ( -5.763 -5.535 4.379) 9.112 8.263 ( -8.082 -12.270 -1.402) 14.759 9.320 ( -24.852 -17.619 -3.587) 30.675 9.717 ( -5.156 -27.540 3.146) 28.194 10.158 ( 1.181 -12.655 -3.471) 13.175 10.993 ( -7.232 2.713 1.646) 7.898 11.609 ( 13.860 13.242 -6.401) 20.210 11.692 ( 4.203 22.062 2.707) 22.621 14.101 ( 3.257 17.516 -111.507) 112.922 15.299 ( 2.187 -2.136 0.965) 3.205 15.506 ( 11.702 8.854 -25.933) 29.796 18.124 ( -16.100 -31.234 125.659) 130.480 20.572 ( -4.986 -8.341 2.872) 10.133 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 16.827 18.623 8.715) 26.569 1.787 ( 17.541 26.120 0.790) 31.474 2.746 ( 30.345 29.082 15.819) 44.909 3.782 ( -0.174 4.767 -4.856) 6.807 4.286 ( 14.178 10.995 -5.890) 18.884 5.076 ( -7.692 -4.320 1.688) 8.982 7.893 ( -12.011 -25.174 -3.334) 28.092 8.690 ( -34.901 1.816 -4.580) 35.247 9.370 ( -4.704 -29.878 4.015) 30.512 10.009 ( -4.930 -8.143 2.764) 9.913 10.973 ( 5.502 -5.241 -3.599) 8.408 11.782 ( -1.404 11.583 -7.620) 13.936 12.071 ( 14.148 14.660 -0.252) 20.375 13.835 ( -9.632 5.338 -59.626) 60.634 15.347 ( 5.739 -3.676 1.470) 6.972 15.645 ( 7.319 4.026 -27.270) 28.521 18.064 ( -9.259 -13.676 82.078) 83.723 20.376 ( -8.256 -9.156 2.022) 12.493 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 13.458 17.393 8.923) 23.733 2.353 ( 21.092 20.907 -0.655) 29.705 3.560 ( 28.440 21.555 13.333) 38.095 3.796 ( -1.921 5.462 -5.890) 8.260 4.604 ( 13.895 6.380 -13.193) 20.195 4.928 ( -5.939 -0.807 6.880) 9.125 7.384 ( -12.729 -28.586 -2.324) 31.378 8.163 ( -31.926 9.036 -0.683) 33.187 8.973 ( -11.423 -24.664 2.032) 27.257 9.891 ( -0.479 -7.896 3.911) 8.825 11.013 ( 8.903 -9.860 -5.158) 14.251 11.773 ( -5.998 6.672 -10.392) 13.729 12.425 ( 12.589 10.596 -1.332) 16.509 13.499 ( -15.040 5.452 -34.038) 37.610 15.421 ( 6.144 -3.466 1.247) 7.164 15.632 ( 0.361 -1.318 -22.869) 22.910 18.103 ( -4.148 -6.906 57.420) 57.983 20.141 ( -9.072 -8.444 0.409) 12.400 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 9.030 16.370 9.073) 20.780 2.907 ( 22.015 16.026 -0.955) 27.247 3.758 ( -4.868 5.066 -7.554) 10.317 4.241 ( 22.058 15.120 13.625) 30.014 4.636 ( -1.799 -2.419 -15.747) 16.033 5.051 ( 10.107 6.044 6.966) 13.682 6.951 ( -6.756 -22.392 2.323) 23.504 7.757 ( -26.702 9.766 1.802) 28.489 8.513 ( -16.191 -20.786 0.886) 26.363 9.863 ( 4.403 -7.089 1.576) 8.493 11.031 ( 8.705 -13.696 -4.589) 16.864 11.650 ( -8.658 2.974 -11.616) 14.790 12.682 ( 8.169 5.244 -4.260) 10.601 13.223 ( -14.524 11.185 -16.115) 24.408 15.484 ( -4.263 -5.155 -16.593) 17.890 15.492 ( 4.804 -2.821 -0.082) 5.571 18.183 ( -1.108 -3.819 39.869) 40.067 19.917 ( -7.799 -6.648 -1.126) 10.310 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 5.400 14.825 8.540) 17.941 3.397 ( 19.109 10.556 -1.109) 21.858 3.675 ( -7.435 6.400 -6.667) 11.861 4.434 ( -6.770 -1.702 -3.631) 7.869 4.797 ( 18.093 8.089 2.830) 20.020 5.291 ( 9.356 2.950 3.167) 10.309 6.750 ( 2.609 -14.398 6.506) 16.013 7.452 ( -21.144 9.830 2.026) 23.406 8.032 ( -17.607 -16.683 -0.426) 24.259 9.900 ( 6.555 -5.591 -0.489) 8.629 11.007 ( 8.823 -18.490 -3.161) 20.730 11.477 ( -8.907 1.749 -9.969) 13.482 12.732 ( -3.349 2.694 -8.130) 9.196 13.162 ( -5.428 16.346 -2.332) 17.380 15.274 ( -5.827 -6.379 -12.249) 14.990 15.548 ( 4.166 -2.742 0.522) 5.014 18.263 ( 0.105 -2.588 25.377) 25.509 19.742 ( -5.407 -4.438 -1.760) 7.213 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 1.478 12.096 5.693) 13.451 3.533 ( -7.504 6.114 -4.388) 10.627 3.816 ( 13.297 8.133 -0.031) 15.587 4.270 ( -7.139 -2.697 -5.629) 9.483 5.117 ( 10.579 2.770 3.627) 11.521 5.441 ( 5.400 -0.186 2.396) 5.911 6.782 ( 9.749 -6.952 6.614) 13.679 7.221 ( -14.949 3.285 -0.182) 15.307 7.620 ( -15.242 -5.484 -1.425) 16.261 9.959 ( 5.778 -4.115 -0.590) 7.118 10.957 ( 11.248 -23.790 -1.518) 26.359 11.338 ( -6.443 3.706 -5.266) 9.109 12.657 ( -7.259 8.051 -3.840) 11.500 13.248 ( -3.540 13.949 -0.047) 14.391 15.103 ( -2.435 -5.483 -7.084) 9.283 15.583 ( 2.961 -2.862 0.212) 4.124 18.306 ( -0.351 -2.556 12.284) 12.552 19.635 ( -2.525 -2.249 -1.127) 3.564 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -6.486 7.227 -2.235) 9.965 3.502 ( -3.980 10.431 3.637) 11.742 4.018 ( -1.098 -2.029 -3.122) 3.882 4.144 ( 2.147 2.274 -2.291) 3.877 5.223 ( 0.887 -3.302 1.385) 3.689 5.492 ( 1.154 -2.718 2.800) 4.069 6.886 ( -0.532 -7.884 -2.843) 8.398 7.046 ( 2.687 0.062 1.585) 3.120 7.456 ( -5.239 9.770 -0.980) 11.129 9.997 ( 2.813 -4.089 1.243) 5.116 10.930 ( 14.975 -25.369 -0.432) 29.462 11.308 ( -1.944 6.527 1.235) 6.921 12.639 ( -5.426 11.620 1.191) 12.880 13.287 ( -6.784 11.546 -0.509) 13.402 15.053 ( 3.603 -2.678 -1.960) 4.898 15.594 ( 1.859 -3.345 -0.065) 3.827 18.281 ( -1.944 -3.128 0.110) 3.685 19.604 ( 0.581 -0.320 0.280) 0.720 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( -13.031 4.688 -6.825) 15.439 3.602 ( -0.502 9.061 7.864) 12.008 3.796 ( -12.629 -5.948 -3.862) 14.483 4.292 ( 6.594 4.887 -1.348) 8.318 5.098 ( -8.576 -8.371 -0.078) 11.985 5.444 ( -3.379 -5.398 3.149) 7.105 6.710 ( 0.768 -12.359 -6.430) 13.953 7.213 ( 1.620 16.151 -1.776) 16.329 7.626 ( 14.120 7.975 -0.163) 16.217 9.978 ( 0.342 -6.316 2.867) 6.945 10.966 ( 15.680 -21.138 0.311) 26.321 11.404 ( 2.862 7.521 6.911) 10.607 12.711 ( -1.229 11.303 5.850) 12.787 13.242 ( -10.493 10.779 -1.028) 15.078 15.159 ( 9.261 0.809 3.040) 9.780 15.580 ( 0.942 -4.175 -0.345) 4.294 18.178 ( -3.746 -3.668 -10.877) 12.074 19.649 ( 3.655 1.191 1.341) 4.072 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -16.330 3.261 -7.206) 18.145 3.394 ( -18.733 -10.414 -2.013) 21.528 3.754 ( -0.822 9.311 7.849) 12.206 4.410 ( 0.906 3.194 -6.406) 7.215 4.805 ( -11.934 -9.830 2.540) 15.669 5.289 ( -8.458 -7.921 3.326) 12.056 6.691 ( 12.407 -8.927 -4.266) 15.869 7.419 ( 1.863 23.445 -4.044) 23.864 8.029 ( 23.194 6.159 -0.959) 24.017 9.916 ( 0.117 -8.207 2.474) 8.572 11.031 ( 12.544 -16.233 1.471) 20.567 11.581 ( 4.968 7.310 9.368) 12.879 12.820 ( 0.008 2.005 7.661) 7.919 13.186 ( -9.213 17.918 2.120) 20.260 15.388 ( 12.098 3.002 7.828) 14.719 15.542 ( 0.293 -5.317 -0.661) 5.366 18.008 ( -4.995 -3.769 -20.829) 21.748 19.760 ( 6.584 2.310 1.478) 7.133 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -19.281 1.016 -6.347) 20.324 2.911 ( -24.489 -10.225 -0.594) 26.545 3.837 ( -2.010 6.179 6.946) 9.512 4.115 ( -24.600 -10.907 -9.224) 28.447 4.744 ( 5.301 2.185 1.402) 5.903 5.026 ( -13.328 -9.678 5.063) 17.232 6.939 ( 25.027 -4.926 -0.009) 25.507 7.730 ( 6.261 28.118 -3.104) 28.973 8.499 ( 25.516 4.123 -1.698) 25.903 9.855 ( 1.780 -7.446 0.067) 7.656 11.072 ( 8.533 -14.120 2.984) 16.766 11.757 ( 2.811 6.972 8.360) 11.243 12.717 ( -10.295 -5.306 2.362) 11.820 13.388 ( 4.057 22.770 13.483) 26.772 15.481 ( 0.017 -6.642 -1.176) 6.745 15.659 ( 10.956 2.700 12.754) 17.029 17.790 ( -5.396 -3.296 -30.462) 31.112 19.928 ( 9.289 3.069 0.907) 9.825 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -22.468 -2.168 -4.890) 23.096 2.364 ( -28.552 -7.694 0.878) 29.583 3.440 ( -34.995 -13.369 -7.971) 38.300 3.856 ( -3.587 3.271 4.991) 6.963 4.674 ( -15.890 -6.809 -3.384) 17.616 4.912 ( 7.136 1.416 6.884) 10.016 7.410 ( 32.441 -3.614 2.360) 32.726 8.170 ( 10.924 32.136 0.789) 33.951 8.951 ( 26.183 -1.944 -1.903) 26.324 9.851 ( 4.897 -2.480 -3.385) 6.449 11.064 ( 5.171 -13.785 4.275) 15.331 11.855 ( -2.647 6.780 5.232) 8.964 12.439 ( -15.623 -6.091 1.168) 16.809 13.805 ( 11.453 20.326 21.085) 31.447 15.405 ( 0.174 -7.777 -1.691) 7.961 15.880 ( 6.012 0.330 18.025) 19.004 17.544 ( -5.111 -2.307 -39.974) 40.366 20.139 ( 11.241 3.198 0.127) 11.687 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -25.539 -4.514 -2.831) 26.089 1.796 ( -31.728 -3.368 1.593) 31.946 2.622 ( -42.781 -10.729 -6.242) 44.545 3.823 ( -4.112 1.106 2.612) 4.995 4.317 ( -17.139 -4.782 -0.502) 17.801 5.076 ( 7.691 1.636 1.928) 8.095 7.919 ( 27.459 -2.348 1.253) 27.588 8.744 ( 18.899 28.696 5.507) 34.799 9.330 ( 27.199 -11.720 -3.172) 29.786 9.969 ( 8.612 5.725 -4.529) 11.289 11.015 ( 2.599 -11.662 4.123) 12.640 11.827 ( -9.989 6.709 1.398) 12.114 12.081 ( -19.212 -6.644 1.476) 20.381 14.306 ( 16.256 15.007 23.465) 32.250 15.328 ( 0.668 -7.236 -2.043) 7.549 15.989 ( -0.803 -2.055 22.751) 22.858 17.285 ( -5.116 -1.104 -44.976) 45.279 20.364 ( 11.480 2.223 -0.307) 11.697 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -27.625 0.000 0.000) 27.625 1.219 ( -34.148 0.000 0.000) 34.148 1.756 ( -48.724 0.000 0.000) 48.724 3.767 ( -3.277 0.000 0.000) 3.277 4.015 ( -14.496 0.000 0.000) 14.496 5.208 ( 6.086 -0.000 -0.000) 6.086 8.271 ( 14.201 -0.000 -0.000) 14.201 9.341 ( 28.814 -0.000 -0.000) 28.814 9.698 ( 26.504 -0.000 -0.000) 26.504 10.177 ( 10.566 -0.000 -0.000) 10.566 10.984 ( 1.100 -0.000 -0.000) 1.100 11.651 ( -16.416 0.000 0.000) 16.416 11.667 ( -23.273 0.000 0.000) 23.273 14.765 ( 19.984 -0.000 -0.000) 19.984 15.292 ( 0.791 -0.000 -0.000) 0.791 15.972 ( -6.358 0.000 0.000) 6.358 17.064 ( -6.291 0.000 0.000) 6.291 20.557 ( 9.380 -0.000 -0.000) 9.380 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.000 23.078 11.355) 25.720 1.421 ( -0.000 30.425 6.087) 31.028 2.132 ( -0.000 44.646 16.376) 47.555 3.784 ( 0.000 3.906 -1.230) 4.095 4.017 ( 0.000 14.150 -8.212) 16.360 5.251 ( -0.000 -5.562 5.881) 8.095 8.234 ( 0.000 -13.970 -1.782) 14.083 9.109 ( -0.000 -39.062 7.554) 39.785 9.777 ( 0.000 -25.874 -3.670) 26.133 9.819 ( 0.000 -3.457 -6.253) 7.145 11.275 ( -0.000 3.975 6.291) 7.442 11.516 ( 0.000 14.727 -4.808) 15.492 11.899 ( -0.000 21.400 2.228) 21.515 13.832 ( 0.000 18.312 -105.091) 106.675 15.337 ( 0.000 4.106 -15.903) 16.425 15.361 ( 0.000 2.803 -0.603) 2.867 18.327 ( -0.000 -34.468 103.644) 109.225 20.532 ( -0.000 -10.711 3.858) 11.385 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 8.313 21.419 9.214) 24.755 1.835 ( 10.343 27.282 4.006) 29.451 2.742 ( 14.400 37.935 14.671) 43.147 3.824 ( 0.156 5.300 -2.582) 5.898 4.186 ( 7.184 12.280 -9.308) 17.002 5.177 ( -5.710 -2.270 5.379) 8.166 7.893 ( -15.568 -22.200 -3.308) 27.316 8.871 ( 7.914 -30.391 5.677) 31.914 9.298 ( -20.090 -16.818 0.432) 26.204 9.849 ( 4.469 -9.762 -6.302) 12.449 11.100 ( -16.139 3.696 3.503) 16.923 11.773 ( 8.900 8.266 -6.914) 13.976 12.118 ( 2.160 18.992 1.556) 19.178 13.699 ( 4.762 7.695 -72.782) 73.343 15.268 ( -0.709 -1.138 -2.551) 2.882 15.481 ( 6.978 3.464 -14.183) 16.182 18.306 ( -5.501 -22.198 77.539) 80.842 20.394 ( -4.481 -11.572 3.304) 12.842 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 14.126 19.563 7.213) 25.185 2.301 ( 12.738 23.896 2.108) 27.161 3.419 ( 19.958 27.247 11.046) 35.535 3.873 ( -0.628 7.713 -3.441) 8.469 4.406 ( 10.674 6.649 -10.955) 16.678 5.079 ( -7.482 2.620 7.061) 10.616 7.354 ( -16.093 -25.475 -2.012) 30.200 8.705 ( -10.417 -7.941 0.154) 13.100 8.811 ( -11.784 -23.543 4.961) 26.791 9.750 ( 0.641 -13.128 -3.517) 13.606 10.925 ( -6.634 -0.473 -0.185) 6.654 11.861 ( -1.430 3.971 -9.585) 10.473 12.372 ( 6.899 14.503 -0.064) 16.061 13.583 ( -1.786 7.080 -46.790) 47.356 15.276 ( 4.940 -4.550 0.602) 6.743 15.528 ( 2.313 0.240 -15.956) 16.125 18.287 ( -4.329 -13.690 57.930) 59.683 20.189 ( -7.052 -10.761 1.587) 12.963 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 12.693 18.851 7.063) 23.798 2.757 ( 14.944 19.437 0.125) 24.518 3.844 ( 1.200 7.185 -7.677) 10.583 4.094 ( 16.700 18.894 10.642) 27.370 4.551 ( 5.084 1.244 -12.003) 13.094 5.066 ( -1.738 6.365 9.333) 11.430 6.884 ( -10.294 -21.480 1.929) 23.897 8.322 ( -26.124 3.597 3.387) 26.587 8.483 ( -6.382 -23.891 0.267) 24.730 9.642 ( 5.510 -15.786 -0.658) 16.733 10.836 ( -0.442 -5.728 -3.617) 6.789 11.774 ( -6.984 1.929 -9.766) 12.160 12.601 ( 6.480 7.988 -3.137) 10.754 13.469 ( -6.311 12.716 -27.044) 30.543 15.331 ( 7.106 -6.837 -0.182) 9.863 15.454 ( -2.958 -2.399 -13.018) 13.564 18.300 ( -2.280 -9.065 42.468) 43.484 19.968 ( -7.238 -8.633 -0.355) 11.271 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 6.858 18.724 7.152) 21.184 3.194 ( 16.842 13.655 -1.457) 21.731 3.842 ( -4.736 7.875 -7.176) 11.660 4.504 ( -0.289 1.049 -14.454) 14.494 4.603 ( 13.056 11.224 13.413) 21.825 5.192 ( 5.935 3.118 6.687) 9.469 6.619 ( -1.439 -13.920 6.216) 15.313 7.955 ( -24.990 7.197 1.352) 26.041 8.096 ( -11.184 -20.703 1.071) 23.555 9.635 ( 11.270 -14.500 -0.272) 18.366 10.739 ( 0.825 -12.573 -4.884) 13.514 11.621 ( -8.798 2.447 -8.233) 12.295 12.713 ( 2.857 2.174 -6.042) 7.028 13.454 ( -5.939 19.762 -11.844) 23.793 15.259 ( -4.628 -7.215 -11.069) 14.000 15.418 ( 5.575 -4.750 0.560) 7.346 18.325 ( -1.018 -6.620 28.950) 29.715 19.780 ( -5.653 -5.934 -1.502) 8.333 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 1.096 16.786 5.126) 17.586 3.562 ( 12.534 7.847 -2.266) 14.960 3.826 ( -4.006 11.266 -3.636) 12.498 4.373 ( -8.831 1.690 -8.929) 12.672 4.955 ( 12.729 2.981 7.428) 15.036 5.337 ( 6.767 -1.081 4.617) 8.263 6.601 ( 6.976 -5.330 7.598) 11.611 7.539 ( -22.745 -6.480 -3.739) 23.944 7.802 ( -10.700 -2.491 3.129) 11.423 9.729 ( 13.261 -9.814 0.284) 16.500 10.578 ( 2.262 -21.139 -4.015) 21.636 11.490 ( -7.541 5.376 -5.153) 10.599 12.730 ( 0.586 0.975 -4.559) 4.699 13.543 ( -6.271 23.032 -4.143) 24.228 15.066 ( -4.382 -6.991 -8.039) 11.519 15.465 ( 5.582 -5.965 0.420) 8.180 18.331 ( -1.098 -5.514 16.555) 17.484 19.652 ( -3.207 -3.357 -1.330) 4.829 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( -5.492 12.668 -0.170) 13.808 3.708 ( -2.041 9.332 1.332) 9.644 3.966 ( 5.623 9.841 -1.262) 11.404 4.196 ( -8.529 0.799 -7.379) 11.306 5.134 ( 6.079 -4.070 4.332) 8.502 5.424 ( 4.211 -4.019 4.244) 7.204 6.773 ( 9.797 1.620 4.114) 10.748 7.095 ( -14.847 -9.506 -3.009) 17.884 7.662 ( -8.154 5.087 -0.943) 9.657 9.869 ( 8.935 -4.209 2.389) 10.162 10.411 ( 9.897 -27.677 -2.049) 29.465 11.441 ( -4.470 7.918 -1.099) 9.159 12.742 ( 0.721 1.661 -0.645) 1.922 13.629 ( -10.124 23.590 -1.462) 25.713 14.949 ( 1.469 -5.456 -4.539) 7.248 15.490 ( 4.487 -6.763 -0.051) 8.116 18.289 ( -2.468 -5.135 5.412) 7.858 19.595 ( -0.451 -1.304 -0.228) 1.399 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( -12.679 10.230 -4.308) 16.852 3.756 ( -3.598 4.554 3.694) 6.880 3.951 ( -10.484 4.473 -2.268) 11.621 4.230 ( 6.508 8.521 -3.711) 11.346 5.111 ( -2.474 -8.983 2.149) 9.562 5.424 ( 0.235 -6.998 4.469) 8.306 6.649 ( -9.487 -9.806 -6.077) 14.936 7.184 ( 15.583 9.787 4.139) 18.861 7.614 ( -2.826 7.063 -4.955) 9.079 9.892 ( 0.699 -10.726 3.996) 11.468 10.434 ( 20.268 -19.424 0.062) 28.072 11.483 ( -0.538 8.272 2.849) 8.765 12.785 ( 1.784 1.539 2.963) 3.786 13.642 ( -14.460 22.712 -0.265) 26.926 14.993 ( 9.093 -1.971 -0.983) 9.356 15.484 ( 3.296 -7.691 -0.510) 8.383 18.182 ( -4.536 -4.888 -3.787) 7.669 19.607 ( 2.330 0.077 0.784) 2.460 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -17.710 8.805 -4.909) 20.378 3.576 ( -13.548 -7.074 -2.524) 15.491 3.932 ( -4.173 11.119 5.811) 13.222 4.402 ( 3.811 9.542 -5.288) 11.556 4.902 ( -10.058 -11.219 1.758) 15.170 5.325 ( -4.038 -9.454 4.506) 11.224 6.461 ( 1.608 -8.170 -4.809) 9.616 7.587 ( 7.546 21.611 -1.043) 22.914 7.708 ( 14.497 2.037 -3.505) 15.053 9.773 ( 2.214 -18.294 3.718) 18.799 10.636 ( 17.335 -9.297 1.228) 19.709 11.599 ( 3.455 6.736 5.233) 9.203 12.838 ( 1.454 -0.685 4.516) 4.794 13.613 ( -14.073 22.751 2.251) 26.846 15.197 ( 14.041 1.213 1.950) 14.228 15.447 ( 2.206 -8.708 -0.877) 9.026 18.013 ( -6.643 -4.356 -10.555) 13.211 19.679 ( 5.066 0.884 1.092) 5.257 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -21.182 5.789 -4.030) 22.326 3.210 ( -19.953 -6.238 -1.359) 20.950 3.985 ( -3.670 7.698 5.228) 10.003 4.373 ( -16.115 -2.106 -6.758) 17.601 4.702 ( 0.394 -0.500 1.106) 1.276 5.135 ( -8.554 -10.147 4.764) 14.101 6.533 ( 15.615 -4.550 -1.857) 16.370 7.851 ( 7.713 18.780 -6.273) 21.249 8.120 ( 21.882 6.768 1.794) 22.975 9.663 ( 5.504 -18.261 1.999) 19.177 10.809 ( 10.559 -5.928 1.459) 12.197 11.758 ( 5.655 4.709 5.010) 8.902 12.813 ( -4.504 -3.189 2.660) 6.127 13.678 ( -5.501 22.216 7.121) 23.969 15.380 ( 1.529 -8.791 -2.732) 9.332 15.485 ( 14.966 1.583 5.474) 16.014 17.799 ( -8.419 -3.344 -14.469) 17.071 19.804 ( 7.795 1.257 0.794) 7.935 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -23.979 1.668 -2.351) 24.151 2.775 ( -24.797 -3.095 -0.034) 24.990 3.886 ( -29.807 -5.621 -3.732) 30.561 3.984 ( -4.962 3.435 3.435) 6.944 4.795 ( 3.291 6.574 -10.007) 12.417 4.884 ( -9.858 -10.250 11.651) 18.385 6.874 ( 27.008 -1.705 0.360) 27.064 8.225 ( 15.838 19.424 -3.945) 25.371 8.517 ( 18.717 -1.192 2.309) 18.896 9.644 ( 9.493 -10.491 -0.432) 14.155 10.892 ( 5.087 -4.700 1.446) 7.076 11.899 ( 4.086 2.889 2.742) 5.706 12.642 ( -12.096 -2.662 0.720) 12.406 13.902 ( 5.384 15.326 8.717) 18.435 15.305 ( 0.687 -7.382 -2.147) 7.718 15.761 ( 12.712 0.812 5.333) 13.809 17.564 ( -9.714 -1.827 -13.535) 16.760 19.974 ( 10.277 1.087 0.284) 10.338 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -25.864 0.000 0.000) 25.864 2.302 ( -28.552 0.000 0.000) 28.552 3.261 ( -38.001 0.000 0.000) 38.001 3.918 ( -5.217 0.000 0.000) 5.217 4.584 ( -16.422 0.000 0.000) 16.422 4.950 ( 7.964 -0.000 -0.000) 7.964 7.383 ( 31.953 -0.000 -0.000) 31.953 8.705 ( 11.465 -0.000 -0.000) 11.465 8.750 ( 26.662 -0.000 -0.000) 26.662 9.788 ( 12.164 -0.000 -0.000) 12.164 10.926 ( 2.413 -0.000 -0.000) 2.413 11.950 ( -1.088 0.000 0.000) 1.088 12.373 ( -17.310 0.000 0.000) 17.310 14.169 ( 13.151 -0.000 -0.000) 13.151 15.268 ( 0.511 -0.000 -0.000) 0.511 15.953 ( 7.467 -0.000 -0.000) 7.467 17.353 ( -10.007 0.000 0.000) 10.007 20.172 ( 11.784 -0.000 -0.000) 11.784 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -0.000 18.359 9.722) 20.775 2.021 ( -0.000 26.603 3.311) 26.809 3.064 ( -0.000 38.307 11.255) 39.926 3.860 ( 0.000 4.479 -1.209) 4.639 4.215 ( 0.000 12.096 -10.411) 15.960 5.245 ( -0.000 1.533 6.669) 6.842 7.852 ( 0.000 -20.767 -5.584) 21.505 8.400 ( -0.000 -37.916 9.327) 39.047 9.223 ( 0.000 -26.912 -4.607) 27.303 9.818 ( -0.000 4.524 1.180) 4.675 11.338 ( -0.000 -0.533 1.676) 1.759 11.730 ( 0.000 10.044 -4.153) 10.869 12.290 ( -0.000 17.008 0.606) 17.019 13.432 ( 0.000 3.708 -64.032) 64.139 15.253 ( 0.000 -1.022 -16.177) 16.209 15.421 ( -0.000 3.530 -0.258) 3.539 18.386 ( -0.000 -21.083 65.030) 68.362 20.324 ( -0.000 -12.646 3.468) 13.113 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 8.681 17.083 7.480) 20.570 2.359 ( 8.242 23.151 2.452) 24.696 3.505 ( 7.106 29.010 5.077) 30.296 3.922 ( 2.158 6.151 -0.955) 6.588 4.325 ( 3.626 9.700 -7.393) 12.724 5.263 ( -4.997 6.482 7.109) 10.841 7.403 ( -17.998 -23.739 -2.547) 29.899 8.274 ( 16.075 -32.211 5.972) 36.491 8.891 ( -5.955 -24.097 -2.181) 24.918 9.798 ( -9.310 5.319 0.367) 10.729 11.140 ( -16.019 -1.396 0.126) 16.080 11.849 ( 2.883 4.897 -7.207) 9.178 12.460 ( 1.426 14.949 -0.115) 15.018 13.361 ( 10.311 2.214 -47.130) 48.296 15.175 ( 0.856 -4.156 -10.367) 11.202 15.471 ( 1.251 2.536 -4.078) 4.963 18.389 ( -2.027 -16.413 52.124) 54.685 20.176 ( -3.780 -12.000 2.269) 12.784 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 14.658 16.787 4.820) 22.801 2.745 ( 10.743 19.085 2.231) 22.014 3.817 ( 5.231 9.502 -7.544) 13.212 4.102 ( 8.338 13.303 2.111) 15.841 4.476 ( 4.345 9.801 -0.282) 10.725 5.263 ( -7.048 9.277 7.257) 13.726 6.893 ( -13.967 -20.347 1.469) 24.723 8.216 ( 7.674 -27.478 3.376) 28.729 8.569 ( -5.855 -18.252 0.533) 19.175 9.615 ( -14.937 2.632 -1.062) 15.204 10.876 ( -10.016 -4.420 -2.533) 11.237 11.847 ( -3.090 1.941 -8.243) 9.015 12.614 ( 1.532 10.461 -2.284) 10.816 13.437 ( 9.146 6.999 -31.846) 33.865 15.138 ( 4.997 -8.058 -5.768) 11.098 15.461 ( -2.527 0.989 -4.799) 5.514 18.378 ( -1.831 -12.417 40.311) 42.219 19.988 ( -5.636 -9.858 0.426) 11.363 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 14.727 16.838 3.470) 22.637 3.106 ( 10.772 14.766 1.614) 18.349 3.890 ( 1.862 3.551 -9.959) 10.736 4.380 ( 10.162 7.165 -6.241) 13.912 4.666 ( 2.794 12.765 8.986) 15.859 5.260 ( -5.461 6.791 7.119) 11.252 6.569 ( -5.510 -12.940 5.637) 15.152 8.011 ( -2.847 -21.954 2.360) 22.263 8.309 ( -10.217 -10.496 0.280) 14.650 9.413 ( -5.177 -3.996 0.284) 6.546 10.674 ( -5.796 -8.024 -5.550) 11.349 11.752 ( -6.509 2.214 -6.435) 9.417 12.687 ( 0.433 4.056 -5.405) 6.771 13.581 ( 5.703 14.667 -18.880) 24.578 15.123 ( 5.598 -11.257 -4.755) 13.441 15.384 ( -4.543 -0.141 -2.318) 5.102 18.369 ( -1.218 -9.587 29.097) 30.660 19.807 ( -5.353 -6.942 -0.999) 8.823 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 7.393 16.338 3.235) 18.222 3.417 ( 11.600 9.205 -0.547) 14.819 3.924 ( 1.776 5.044 -7.282) 9.034 4.501 ( -1.522 7.802 -9.823) 12.637 4.867 ( 4.504 6.425 10.844) 13.385 5.273 ( 0.264 0.413 6.466) 6.484 6.495 ( 3.473 -3.777 7.805) 9.341 7.715 ( -10.937 -16.391 -1.161) 19.739 8.006 ( -13.843 -5.664 1.118) 14.999 9.403 ( 9.625 -7.052 2.286) 12.149 10.446 ( -6.752 -12.709 -6.514) 15.797 11.647 ( -6.706 4.435 -4.147) 9.046 12.693 ( 0.844 0.114 -5.250) 5.319 13.776 ( 2.597 20.088 -10.249) 22.701 15.039 ( -1.496 -9.369 -4.598) 10.543 15.325 ( 1.229 -4.520 0.095) 4.686 18.350 ( -1.262 -7.641 18.353) 19.920 19.669 ( -3.648 -4.110 -1.294) 5.645 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( -1.849 12.030 0.578) 12.185 3.667 ( 9.349 3.741 -1.436) 10.171 4.034 ( 4.265 11.444 -2.988) 12.573 4.426 ( -13.296 10.455 -7.103) 18.345 5.003 ( 5.394 -3.504 7.413) 9.815 5.318 ( 4.104 -4.422 5.313) 8.039 6.650 ( 10.095 4.866 6.572) 12.992 7.294 ( -19.603 -11.197 -3.617) 22.864 7.786 ( -6.021 -5.268 -0.012) 8.001 9.595 ( 16.942 -4.105 4.213) 17.934 10.152 ( -6.859 -17.707 -4.992) 19.635 11.590 ( -4.884 6.449 -1.998) 8.332 12.699 ( 2.458 -1.379 -2.551) 3.802 13.974 ( -1.978 23.260 -5.099) 23.894 14.894 ( -3.347 -6.152 -2.975) 7.609 15.318 ( 5.128 -9.014 0.075) 10.371 18.300 ( -2.357 -6.244 8.679) 10.948 19.593 ( -1.368 -1.931 -0.617) 2.446 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( -7.378 8.820 -2.127) 11.694 3.780 ( 2.348 -1.136 -0.160) 2.614 4.222 ( -4.309 8.633 -8.271) 12.709 4.278 ( -6.368 17.882 2.414) 19.135 5.028 ( 2.173 -9.194 4.681) 10.543 5.335 ( 2.687 -8.284 4.316) 9.719 6.788 ( -15.320 -3.527 -4.510) 16.355 7.025 ( 11.868 5.663 4.912) 14.038 7.678 ( -1.339 -2.416 -3.503) 4.461 9.805 ( -3.479 -11.936 2.305) 12.645 9.950 ( 18.621 -9.412 0.570) 20.872 11.591 ( -2.381 6.653 0.118) 7.067 12.734 ( 3.827 -1.673 0.327) 4.189 14.099 ( -10.201 23.787 -1.353) 25.918 14.834 ( 4.412 -3.664 -1.897) 6.041 15.312 ( 5.586 -10.938 -0.338) 12.287 18.205 ( -4.288 -5.011 1.101) 6.687 19.578 ( 0.997 -0.567 0.209) 1.165 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( -13.175 7.617 -2.502) 15.423 3.700 ( -8.198 -3.977 -1.727) 9.274 4.125 ( -6.593 7.293 -0.001) 9.832 4.476 ( 1.075 17.557 -2.473) 17.763 4.927 ( -4.162 -10.464 3.278) 11.729 5.273 ( -0.227 -11.040 3.543) 11.597 6.459 ( -11.040 -5.291 -3.806) 12.821 7.413 ( 17.584 8.095 2.721) 19.548 7.689 ( 4.240 5.797 -4.875) 8.680 9.565 ( -1.683 -19.729 1.243) 19.840 10.284 ( 19.489 -0.369 2.801) 19.693 11.637 ( 0.580 5.019 1.709) 5.334 12.791 ( 3.807 -1.595 1.881) 4.536 14.087 ( -15.155 19.626 1.449) 24.839 14.968 ( 12.922 0.128 -1.165) 12.975 15.290 ( 4.573 -10.708 -0.495) 11.654 18.064 ( -6.550 -3.626 -3.516) 8.271 19.614 ( 3.340 0.118 0.560) 3.388 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( -19.397 4.622 -1.687) 20.011 3.455 ( -14.638 -2.954 -1.221) 14.983 4.117 ( -2.866 4.190 1.748) 5.369 4.578 ( -7.232 8.156 -4.630) 11.844 4.739 ( -5.794 -4.161 2.918) 7.707 5.151 ( -3.109 -8.956 2.678) 9.851 6.330 ( 2.427 -2.628 -1.694) 3.958 7.694 ( 13.586 -0.189 -2.253) 13.773 7.976 ( 14.487 14.307 -0.153) 20.362 9.401 ( 3.093 -15.360 1.229) 15.716 10.583 ( 14.113 -0.029 1.222) 14.165 11.720 ( 3.896 2.535 1.825) 4.994 12.828 ( 0.840 -1.353 1.427) 2.138 14.020 ( -11.459 12.630 2.701) 17.266 15.227 ( 14.084 2.113 -4.774) 15.020 15.263 ( 4.939 -8.245 4.083) 10.442 17.889 ( -8.660 -1.935 -4.422) 9.914 19.697 ( 5.758 0.310 0.398) 5.780 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -23.026 0.000 0.000) 23.026 3.143 ( -19.859 0.000 0.000) 19.859 4.088 ( -3.906 0.000 0.000) 3.906 4.305 ( -22.232 0.000 0.000) 22.232 4.742 ( 2.869 -0.000 -0.000) 2.869 5.019 ( -7.799 0.000 0.000) 7.799 6.483 ( 16.721 -0.000 -0.000) 16.721 7.963 ( 18.415 -0.000 -0.000) 18.415 8.303 ( 13.437 -0.000 -0.000) 13.437 9.415 ( 8.079 -0.000 -0.000) 8.079 10.771 ( 8.025 -0.000 -0.000) 8.025 11.824 ( 5.941 -0.000 -0.000) 5.941 12.785 ( -5.543 0.000 0.000) 5.543 13.969 ( -2.789 0.000 0.000) 2.789 15.248 ( 1.110 -0.000 -0.000) 1.110 15.522 ( 16.071 -0.000 -0.000) 16.071 17.708 ( -10.084 0.000 0.000) 10.084 19.819 ( 8.215 -0.000 -0.000) 8.215 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -0.000 13.398 7.870) 15.538 2.518 ( -0.000 22.093 0.772) 22.106 3.713 ( 0.000 20.708 -3.731) 21.041 3.939 ( -0.000 4.057 -0.634) 4.107 4.415 ( -0.000 15.755 0.787) 15.775 5.412 ( -0.000 9.545 6.464) 11.527 7.384 ( 0.000 -21.005 -6.409) 21.961 7.767 ( -0.000 -32.644 10.531) 34.300 8.655 ( 0.000 -26.601 -5.116) 27.088 9.974 ( -0.000 7.630 5.564) 9.443 11.289 ( 0.000 -3.489 -2.518) 4.303 11.852 ( 0.000 5.649 -5.020) 7.557 12.579 ( 0.000 12.739 -2.243) 12.935 13.095 ( 0.000 -0.124 -37.073) 37.073 15.071 ( 0.000 -5.334 -15.882) 16.754 15.492 ( -0.000 3.478 0.158) 3.482 18.417 ( -0.000 -15.531 43.984) 46.646 20.098 ( -0.000 -11.733 1.900) 11.886 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 10.299 12.325 5.847) 17.093 2.782 ( 6.380 18.314 0.578) 19.403 3.829 ( 0.275 7.775 -10.271) 12.884 4.043 ( 7.171 4.969 -1.443) 8.843 4.615 ( 0.177 19.781 7.716) 21.233 5.496 ( -4.733 11.030 5.673) 13.275 6.959 ( -15.725 -19.359 -0.198) 24.942 7.724 ( 17.410 -26.909 5.598) 32.536 8.367 ( -0.953 -25.527 -3.904) 25.841 9.971 ( -12.014 8.688 4.339) 15.448 11.055 ( -16.833 -5.212 -3.812) 18.029 11.874 ( -0.875 2.859 -6.850) 7.474 12.709 ( 0.566 11.041 -2.103) 11.254 13.128 ( 15.545 1.162 -26.301) 30.574 14.969 ( 1.812 -7.456 -12.794) 14.918 15.512 ( -1.689 2.774 -0.354) 3.266 18.409 ( -0.814 -13.260 35.341) 37.756 19.966 ( -2.989 -9.970 0.714) 10.433 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 16.814 12.879 3.096) 21.405 3.080 ( 9.119 13.114 1.609) 16.054 3.844 ( 0.942 2.249 -10.992) 11.259 4.239 ( 10.809 4.353 -3.145) 12.069 4.834 ( -0.610 17.416 9.412) 19.806 5.504 ( -8.739 9.893 5.018) 14.122 6.587 ( -8.960 -12.332 4.351) 15.852 7.753 ( 10.217 -21.234 3.132) 23.771 8.117 ( 2.901 -24.498 -1.964) 24.747 9.764 ( -23.099 9.584 2.337) 25.118 10.714 ( -11.295 -8.428 -5.287) 15.052 11.835 ( -3.408 1.958 -5.485) 6.747 12.749 ( -3.719 5.825 -4.587) 8.295 13.408 ( 18.995 7.835 -17.498) 26.988 14.897 ( 4.365 -10.466 -7.730) 13.724 15.478 ( -4.825 1.926 -0.321) 5.205 18.386 ( -0.887 -10.760 26.487) 28.603 19.816 ( -4.218 -7.254 -0.502) 8.406 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 16.819 13.889 0.636) 21.821 3.347 ( 8.604 7.654 2.825) 11.858 3.849 ( 3.473 -0.038 -9.600) 10.209 4.461 ( 10.087 5.797 -4.236) 12.381 4.985 ( -2.339 10.953 8.322) 13.953 5.428 ( -10.894 5.730 4.978) 13.277 6.457 ( 0.274 -3.013 7.048) 7.670 7.648 ( -1.044 -15.785 0.872) 15.843 7.962 ( 3.800 -21.364 -0.859) 21.717 9.475 ( -17.463 6.695 2.627) 18.886 10.450 ( -8.144 -9.516 -6.307) 14.023 11.769 ( -4.788 2.759 -3.157) 6.364 12.698 ( -3.338 1.359 -5.377) 6.473 13.758 ( 14.616 14.119 -12.248) 23.728 14.852 ( 5.909 -12.780 -3.040) 14.404 15.385 ( -7.379 0.684 0.041) 7.411 18.355 ( -1.049 -8.383 17.647) 19.565 19.686 ( -3.683 -4.435 -1.023) 5.855 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( 5.222 11.103 0.573) 12.283 3.540 ( 8.305 3.700 -0.402) 9.101 3.944 ( 11.474 2.092 -5.388) 12.848 4.642 ( 2.468 10.594 -5.693) 12.277 5.012 ( -5.350 1.843 7.239) 9.188 5.312 ( -6.671 -0.588 5.599) 8.729 6.573 ( 8.007 5.795 6.859) 12.031 7.436 ( -8.777 -10.571 -1.782) 13.855 7.759 ( -3.897 -17.303 -0.686) 17.750 9.404 ( 2.590 3.098 3.900) 5.614 10.168 ( -11.143 -10.230 -5.499) 16.096 11.715 ( -4.294 3.939 -1.614) 6.046 12.648 ( -0.212 -1.115 -3.764) 3.932 14.087 ( 9.396 18.102 -8.916) 22.259 14.821 ( 4.790 -11.208 0.687) 12.208 15.248 ( -6.762 -3.123 -0.104) 7.449 18.307 ( -1.871 -6.200 9.561) 11.548 19.600 ( -2.110 -2.207 -0.739) 3.141 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( -3.113 4.660 -0.773) 5.657 3.694 ( 6.077 0.380 -0.884) 6.152 4.224 ( 13.070 10.338 -4.298) 17.209 4.646 ( -14.349 12.230 -2.857) 19.069 4.953 ( -0.359 -4.265 5.423) 6.909 5.234 ( -0.603 -7.655 4.560) 8.930 6.870 ( 12.565 12.640 4.658) 18.421 7.097 ( -19.401 -5.889 -2.578) 20.439 7.566 ( 2.020 -15.110 -1.683) 15.337 9.615 ( 15.762 1.939 3.396) 16.240 9.838 ( -12.740 -10.541 -2.623) 16.742 11.689 ( -2.933 3.999 -0.664) 5.004 12.650 ( 3.097 -1.774 -1.376) 3.826 14.366 ( 4.135 19.452 -5.821) 20.721 14.791 ( -0.809 -3.822 2.682) 4.738 15.113 ( 0.532 -11.197 -0.692) 11.231 18.234 ( -3.423 -4.138 3.325) 6.317 19.564 ( -0.218 -0.817 -0.170) 0.862 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( -5.875 2.569 -1.042) 6.496 3.745 ( 0.055 -1.182 -0.108) 1.188 4.364 ( -13.410 9.366 -6.033) 17.434 4.585 ( 6.052 5.980 3.214) 9.095 4.920 ( -4.491 0.121 2.119) 4.967 5.158 ( 1.586 -11.008 2.225) 11.342 6.688 ( -20.121 -2.347 -1.947) 20.351 7.256 ( 13.396 11.773 3.325) 18.142 7.530 ( 10.106 -9.213 -2.999) 14.000 9.525 ( -10.479 -8.541 -1.028) 13.558 9.962 ( 19.842 1.279 2.524) 20.042 11.684 ( -1.274 2.466 0.083) 2.777 12.703 ( 4.782 -1.142 0.146) 4.919 14.505 ( -11.125 15.575 -0.484) 19.146 14.779 ( 6.233 -1.183 -0.352) 6.354 15.074 ( 7.943 -10.960 -0.227) 13.537 18.133 ( -5.397 -2.079 -0.092) 5.784 19.572 ( 1.687 -0.149 0.128) 1.699 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( -11.892 0.000 0.000) 11.892 3.652 ( -9.793 0.000 0.000) 9.793 4.204 ( -6.376 0.000 0.000) 6.376 4.717 ( -0.106 0.000 0.000) 0.106 4.809 ( -6.501 0.000 0.000) 6.501 5.120 ( 0.505 -0.000 -0.000) 0.505 6.393 ( -11.269 0.000 0.000) 11.269 7.491 ( 9.710 -0.000 -0.000) 9.710 7.761 ( 17.813 -0.000 -0.000) 17.813 9.339 ( -4.720 0.000 0.000) 4.720 10.307 ( 18.436 -0.000 -0.000) 18.436 11.694 ( 0.980 -0.000 -0.000) 0.980 12.778 ( 4.092 -0.000 -0.000) 4.092 14.323 ( -15.522 0.000 0.000) 15.522 14.972 ( 14.305 -0.000 -0.000) 14.305 15.143 ( 5.822 -0.000 -0.000) 5.822 18.012 ( -7.338 0.000 0.000) 7.338 19.618 ( 3.656 -0.000 -0.000) 3.656 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -0.000 8.990 5.902) 10.754 2.901 ( -0.000 16.459 -0.858) 16.482 3.853 ( 0.000 4.223 -12.152) 12.865 4.008 ( -0.000 3.041 0.249) 3.051 4.854 ( -0.000 20.681 8.805) 22.477 5.666 ( -0.000 11.074 4.569) 11.980 6.965 ( 0.000 -16.572 -5.020) 17.316 7.282 ( -0.000 -23.574 10.696) 25.887 8.111 ( 0.000 -24.273 -5.024) 24.787 10.154 ( -0.000 5.353 5.710) 7.827 11.195 ( 0.000 -2.770 -4.035) 4.894 11.884 ( 0.000 2.243 -6.989) 7.340 12.747 ( 0.000 7.122 -7.986) 10.700 12.927 ( 0.000 1.846 -11.919) 12.061 14.833 ( 0.000 -7.049 -14.444) 16.072 15.556 ( -0.000 2.732 0.338) 2.753 18.403 ( -0.000 -12.280 29.046) 31.535 19.900 ( 0.000 -8.823 0.366) 8.830 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 12.072 7.990 4.173) 15.066 3.085 ( 4.717 12.156 -0.562) 13.052 3.831 ( -0.920 2.008 -10.335) 10.568 4.104 ( 7.327 2.587 -0.340) 7.778 5.061 ( -1.487 16.904 7.808) 18.680 5.743 ( -5.063 9.868 3.673) 11.684 6.654 ( -10.893 -11.546 1.439) 15.939 7.312 ( 16.651 -18.279 5.308) 25.289 7.856 ( -0.548 -22.490 -4.084) 22.864 10.153 ( -8.361 5.691 4.012) 10.881 10.917 ( -22.104 -4.496 -4.686) 23.038 11.871 ( -0.938 1.549 -5.623) 5.907 12.865 ( -2.519 6.822 -3.847) 8.228 13.029 ( 21.088 1.963 -10.182) 23.499 14.725 ( 1.294 -7.724 -11.295) 13.745 15.562 ( -2.340 2.149 0.327) 3.194 18.379 ( -0.401 -10.236 22.068) 24.330 19.802 ( -2.244 -6.681 -0.266) 7.052 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 19.867 8.406 1.929) 21.658 3.282 ( 7.012 6.541 0.840) 9.626 3.795 ( -0.663 0.516 -8.272) 8.314 4.294 ( 11.697 2.734 -0.947) 12.050 5.183 ( -3.760 11.359 6.029) 13.398 5.707 ( -10.545 7.375 2.911) 13.194 6.471 ( -2.764 -3.033 4.982) 6.454 7.432 ( 11.874 -12.890 2.174) 17.659 7.635 ( 2.705 -21.456 -2.268) 21.745 9.973 ( -23.463 9.004 2.784) 25.285 10.498 ( -13.161 -8.841 -5.177) 16.679 11.842 ( -2.437 1.588 -2.873) 4.088 12.795 ( -7.112 2.466 -4.238) 8.639 13.475 ( 25.625 7.315 -7.661) 27.728 14.644 ( 2.727 -9.360 -6.072) 11.485 15.516 ( -5.545 1.559 0.427) 5.776 18.348 ( -0.675 -7.676 14.854) 16.734 19.699 ( -3.052 -4.193 -0.664) 5.229 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( 18.904 10.309 -1.917) 21.617 3.456 ( 8.241 1.303 4.505) 9.482 3.768 ( 2.339 -2.083 -6.364) 7.093 4.537 ( 12.993 3.579 -1.573) 13.568 5.195 ( -7.082 5.607 4.081) 9.912 5.553 ( -14.558 3.858 2.716) 15.304 6.531 ( 5.870 4.770 5.548) 9.380 7.384 ( -0.823 -11.586 -2.128) 11.809 7.567 ( 6.808 -15.235 0.764) 16.704 9.635 ( -21.127 6.351 2.187) 22.169 10.241 ( -8.477 -7.010 -4.092) 11.737 11.802 ( -3.163 1.811 -1.095) 3.806 12.678 ( -5.498 0.094 -3.336) 6.431 13.950 ( 21.174 11.703 -6.849) 25.143 14.593 ( 4.968 -11.367 -0.594) 12.419 15.401 ( -9.418 0.602 0.348) 9.444 18.310 ( -1.264 -4.990 8.130) 9.622 19.616 ( -2.534 -2.066 -0.579) 3.320 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.574 ( 5.713 0.447 0.385) 5.744 3.637 ( -0.530 4.239 -0.817) 4.350 3.943 ( 22.541 0.533 -1.769) 22.617 4.782 ( 10.785 5.188 -2.362) 12.199 5.057 ( -13.913 -0.425 2.877) 14.213 5.334 ( -13.242 -0.138 2.451) 13.467 6.782 ( 12.513 9.011 3.987) 15.927 7.260 ( -1.743 -6.156 -3.133) 7.124 7.432 ( -7.805 -11.369 0.553) 13.801 9.499 ( -0.031 2.819 1.698) 3.291 9.990 ( -13.089 -4.281 -2.049) 13.923 11.764 ( -2.907 1.524 -0.363) 3.302 12.608 ( -0.890 -0.704 -1.462) 1.851 14.362 ( 12.860 15.479 -7.114) 21.345 14.601 ( 10.485 -13.069 4.502) 17.349 15.205 ( -13.218 -1.123 -0.050) 13.265 18.263 ( -2.366 -2.396 2.876) 4.428 19.569 ( -1.294 -0.675 -0.223) 1.476 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( -3.290 0.000 0.000) 3.290 3.691 ( 4.694 -0.000 -0.000) 4.694 4.332 ( 20.042 -0.000 -0.000) 20.042 4.741 ( -20.458 0.000 0.000) 20.458 4.988 ( 8.455 -0.000 -0.000) 8.455 5.123 ( -11.139 0.000 0.000) 11.139 7.018 ( -12.105 0.000 0.000) 12.105 7.168 ( 7.596 -0.000 -0.000) 7.596 7.260 ( 3.977 -0.000 -0.000) 3.977 9.663 ( 15.137 -0.000 -0.000) 15.137 9.714 ( -14.998 0.000 0.000) 14.998 11.727 ( -2.285 0.000 0.000) 2.285 12.624 ( 3.234 -0.000 -0.000) 3.234 14.574 ( 6.285 -0.000 -0.000) 6.285 14.793 ( 15.298 -0.000 -0.000) 15.298 14.934 ( -16.190 0.000 0.000) 16.190 18.202 ( -3.851 0.000 0.000) 3.851 19.556 ( 0.161 -0.000 -0.000) 0.161 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -0.000 5.204 3.708) 6.389 3.151 ( -0.000 9.487 -1.222) 9.565 3.824 ( 0.000 1.546 -8.588) 8.726 4.061 ( -0.000 1.876 0.815) 2.045 5.251 ( -0.000 13.135 5.905) 14.401 5.888 ( -0.000 8.177 2.818) 8.649 6.671 ( 0.000 -10.098 -2.949) 10.520 7.003 ( -0.000 -11.734 9.074) 14.833 7.642 ( 0.000 -18.997 -4.495) 19.521 10.241 ( -0.000 0.505 2.623) 2.671 11.149 ( 0.000 0.510 -2.215) 2.273 11.858 ( 0.000 0.521 -6.419) 6.440 12.773 ( 0.000 2.074 -4.241) 4.721 12.957 ( 0.000 3.796 -2.829) 4.734 14.610 ( 0.000 -5.753 -10.654) 12.108 15.602 ( -0.000 1.643 0.268) 1.664 18.359 ( -0.000 -8.413 16.559) 18.573 19.760 ( 0.000 -5.224 -0.299) 5.233 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 13.450 3.969 2.208) 14.196 3.253 ( 3.390 5.406 -0.640) 6.413 3.800 ( -1.290 1.047 -5.799) 6.033 4.144 ( 7.277 1.365 0.420) 7.416 5.355 ( -2.422 8.335 3.926) 9.526 5.921 ( -5.368 5.795 1.889) 8.122 6.517 ( -4.550 -3.826 1.220) 6.069 7.086 ( 13.626 -8.112 4.483) 16.479 7.448 ( -1.173 -15.032 -3.516) 15.482 10.234 ( -2.110 0.906 1.299) 2.639 10.839 ( -29.598 -0.916 -2.179) 29.693 11.861 ( 0.553 0.745 -3.082) 3.218 12.927 ( -5.868 2.345 -2.563) 6.819 13.038 ( 25.594 2.492 -2.513) 25.837 14.529 ( 0.230 -4.897 -6.849) 8.423 15.597 ( -2.311 1.115 0.256) 2.579 18.335 ( -0.297 -5.767 10.548) 12.026 19.701 ( -1.708 -3.248 -0.376) 3.689 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( 22.594 3.032 0.703) 22.807 3.363 ( 5.310 1.637 0.254) 5.563 3.759 ( -2.246 0.096 -3.026) 3.770 4.329 ( 12.371 0.990 -0.092) 12.410 5.361 ( -5.124 3.796 1.957) 6.670 5.826 ( -11.378 2.864 0.988) 11.774 6.500 ( 2.907 1.530 2.454) 4.101 7.274 ( 11.153 -3.966 -0.445) 11.846 7.291 ( 1.039 -10.338 -0.041) 10.390 10.150 ( -20.844 7.148 2.324) 22.158 10.308 ( -16.138 -7.273 -3.261) 17.999 11.851 ( -1.572 0.614 -0.841) 1.886 12.802 ( -8.689 0.632 -1.618) 8.861 13.554 ( 29.936 3.327 -2.023) 30.188 14.472 ( 0.339 -4.080 -2.378) 4.735 15.540 ( -5.680 0.576 0.210) 5.713 18.311 ( -0.700 -2.819 4.745) 5.563 19.641 ( -2.395 -1.348 -0.275) 2.761 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( 6.242 -0.000 -0.000) 6.242 3.498 ( 26.284 -0.000 -0.000) 26.284 3.706 ( -2.974 0.000 0.000) 2.974 4.568 ( 14.290 -0.000 -0.000) 14.290 5.265 ( -8.887 0.000 0.000) 8.887 5.605 ( -15.620 0.000 0.000) 15.620 6.634 ( 9.838 -0.000 -0.000) 9.838 7.211 ( -0.824 0.000 0.000) 0.824 7.431 ( 5.139 -0.000 -0.000) 5.139 9.715 ( -22.481 0.000 0.000) 22.481 10.148 ( -7.684 0.000 0.000) 7.684 11.817 ( -2.531 0.000 0.000) 2.531 12.665 ( -6.293 0.000 0.000) 6.293 14.067 ( 26.958 -0.000 -0.000) 26.958 14.452 ( 1.049 -0.000 -0.000) 1.049 15.409 ( -10.099 0.000 0.000) 10.099 18.288 ( -1.397 0.000 0.000) 1.397 19.594 ( -2.127 0.000 0.000) 2.127 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -0.000 1.711 1.266) 2.129 3.264 ( 0.000 2.822 -0.539) 2.873 3.805 ( 0.000 0.702 -3.008) 3.089 4.092 ( -0.000 0.651 0.459) 0.797 5.449 ( -0.000 4.171 1.955) 4.606 6.016 ( -0.000 3.058 1.010) 3.221 6.524 ( 0.000 -3.325 -0.946) 3.457 6.928 ( -0.000 -2.027 4.391) 4.836 7.330 ( 0.000 -8.456 -2.634) 8.857 10.240 ( -0.000 -0.752 0.371) 0.839 11.162 ( 0.000 0.944 -0.391) 1.022 11.829 ( 0.000 0.057 -2.491) 2.491 12.789 ( -0.000 0.698 0.025) 0.699 12.993 ( 0.000 1.360 -1.441) 1.982 14.474 ( 0.000 -2.188 -4.010) 4.568 15.625 ( -0.000 0.533 0.094) 0.541 18.322 ( -0.000 -3.040 5.358) 6.160 19.690 ( 0.000 -1.705 -0.188) 1.715 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 13.983 -0.000 -0.000) 13.983 3.302 ( 2.867 -0.000 -0.000) 2.867 3.790 ( -1.525 0.000 0.000) 1.525 4.160 ( 7.300 -0.000 -0.000) 7.300 5.451 ( -2.627 0.000 0.000) 2.627 5.987 ( -5.461 0.000 0.000) 5.461 6.490 ( -0.739 0.000 0.000) 0.739 7.033 ( 11.066 -0.000 -0.000) 11.066 7.268 ( -1.533 0.000 0.000) 1.533 10.241 ( 0.237 -0.000 -0.000) 0.237 10.828 ( -32.398 0.000 0.000) 32.398 11.857 ( 1.296 -0.000 -0.000) 1.296 12.940 ( -6.351 0.000 0.000) 6.351 13.057 ( 26.525 -0.000 -0.000) 26.525 14.453 ( -0.380 0.000 0.000) 0.380 15.609 ( -2.239 0.000 0.000) 2.239 18.314 ( -0.286 0.000 0.000) 0.286 19.668 ( -1.513 0.000 0.000) 1.513 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( -0.000 -0.000 32.952) 32.952 0.357 ( -0.000 -0.000 32.952) 32.952 0.568 ( -0.000 -0.000 52.353) 52.353 3.694 ( 0.000 0.000 -2.721) 2.721 3.694 ( 0.000 0.000 -2.721) 2.721 6.597 ( 0.000 0.000 -5.672) 5.672 8.465 ( 0.000 -0.000 0.025) 0.025 8.465 ( 0.000 -0.000 0.025) 0.025 10.144 ( 0.000 -0.000 -5.674) 5.674 10.144 ( 0.000 0.000 -5.674) 5.674 10.697 ( 0.000 0.000 -3.449) 3.449 11.014 ( -0.000 -0.000 5.120) 5.120 11.014 ( -0.000 0.000 5.120) 5.120 11.182 ( -0.000 -0.000 3.161) 3.161 15.307 ( 0.000 -0.000 -0.211) 0.211 15.307 ( 0.000 0.000 -0.211) 0.211 20.731 ( 0.000 0.000 -0.074) 0.074 22.464 ( -0.000 -0.000 0.605) 0.605 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 22.135 12.779 15.413) 29.846 0.747 ( 19.312 11.150 20.327) 30.173 1.336 ( 37.287 21.528 31.252) 53.202 3.688 ( 1.021 0.590 -4.463) 4.616 3.807 ( 9.200 5.311 -4.563) 11.561 5.413 ( -17.008 -9.820 15.617) 25.092 8.393 ( -5.206 -3.006 -1.558) 6.210 9.616 ( -31.426 -18.144 -10.891) 37.887 10.176 ( -1.924 -1.111 3.039) 3.765 10.327 ( -19.331 -11.161 -0.006) 22.322 10.983 ( 1.084 0.626 -1.862) 2.243 11.224 ( 26.749 15.443 -27.754) 41.524 11.349 ( 16.297 9.409 5.500) 19.605 12.749 ( 92.463 53.384 -156.552) 189.494 15.329 ( 1.673 0.966 0.155) 1.938 15.335 ( 4.445 2.567 -4.234) 6.654 19.627 ( -92.840 -53.601 149.538) 183.995 20.717 ( -8.029 -4.635 10.152) 13.748 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 20.210 11.668 14.504) 27.476 1.342 ( 26.774 15.458 5.318) 31.370 2.303 ( 37.831 21.842 22.740) 49.248 3.702 ( 1.662 0.959 -5.941) 6.243 4.069 ( 14.694 8.484 -5.539) 17.849 5.176 ( -9.093 -5.250 2.218) 10.732 8.219 ( -9.340 -5.392 -2.384) 11.045 8.796 ( -35.116 -20.274 -10.230) 41.819 9.867 ( -20.973 -12.109 1.293) 24.252 10.098 ( -5.884 -3.397 8.644) 10.994 11.038 ( 4.524 2.612 -6.507) 8.345 11.503 ( 9.117 5.264 -13.420) 17.057 11.807 ( 19.697 11.372 -0.856) 22.760 13.400 ( 18.321 10.578 -87.342) 89.868 15.381 ( 2.612 1.508 0.462) 3.051 15.462 ( 8.207 4.738 -15.948) 18.551 18.761 ( -34.527 -19.934 100.107) 107.754 20.540 ( -10.173 -5.873 4.728) 12.662 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 17.952 10.365 12.332) 24.120 1.975 ( 27.267 15.743 1.544) 31.523 3.203 ( 34.136 19.708 17.990) 43.328 3.711 ( 0.954 0.551 -7.079) 7.165 4.402 ( 15.594 9.003 -9.587) 20.400 4.994 ( -6.848 -3.954 2.101) 8.182 7.957 ( -12.600 -7.274 -1.878) 14.670 8.001 ( -30.756 -17.757 -6.162) 36.044 9.380 ( -22.062 -12.737 1.417) 25.514 10.001 ( -4.856 -2.804 8.611) 10.276 11.122 ( 4.611 2.662 -6.839) 8.667 11.582 ( 2.671 1.542 -16.131) 16.423 12.218 ( 16.466 9.507 -1.074) 19.044 13.309 ( -1.643 -0.948 -47.045) 47.083 15.447 ( 2.876 1.661 0.621) 3.379 15.536 ( 3.521 2.033 -20.528) 20.927 18.510 ( -16.602 -9.585 70.004) 72.582 20.298 ( -11.649 -6.726 1.990) 13.598 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 14.795 8.542 11.317) 20.492 2.590 ( 26.031 15.029 -0.162) 30.059 3.685 ( -1.033 -0.596 -7.685) 7.777 3.978 ( 28.186 16.273 14.934) 35.809 4.591 ( 2.429 1.402 -18.508) 18.720 4.977 ( 5.979 3.452 9.335) 11.611 7.388 ( -21.339 -12.320 0.721) 24.650 7.647 ( -13.647 -7.879 -0.765) 15.777 8.868 ( -22.991 -13.274 0.517) 26.552 9.950 ( -1.870 -1.080 5.885) 6.269 11.191 ( 3.210 1.853 -5.183) 6.372 11.524 ( -1.977 -1.141 -17.987) 18.131 12.543 ( 12.126 7.001 -2.626) 14.246 13.077 ( -6.123 -3.535 -23.469) 24.511 15.474 ( -2.366 -1.366 -19.514) 19.705 15.512 ( 2.599 1.500 0.610) 3.062 18.442 ( -9.058 -5.229 50.092) 51.172 20.042 ( -10.562 -6.098 -0.538) 12.207 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 11.574 6.682 10.306) 16.876 3.153 ( 23.114 13.345 -0.984) 26.708 3.606 ( -3.507 -2.025 -7.324) 8.369 4.459 ( -4.024 -2.323 -5.176) 6.956 4.608 ( 20.393 11.774 2.347) 23.664 5.218 ( 9.890 5.710 5.825) 12.820 7.046 ( -9.842 -5.682 7.241) 13.476 7.349 ( -11.899 -6.870 -0.227) 13.742 8.337 ( -23.164 -13.374 -1.355) 26.782 9.955 ( 0.751 0.434 2.976) 3.100 11.230 ( 1.501 0.867 -3.063) 3.519 11.388 ( -3.834 -2.213 -16.302) 16.892 12.673 ( -1.145 -0.661 -9.600) 9.690 12.966 ( 3.227 1.863 -3.332) 4.999 15.313 ( -5.377 -3.104 -16.102) 17.258 15.567 ( 1.996 1.152 0.473) 2.353 18.431 ( -5.553 -3.206 33.921) 34.522 19.825 ( -7.795 -4.500 -1.938) 9.207 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 8.029 4.635 7.700) 12.051 3.484 ( -4.632 -2.674 -4.825) 7.204 3.624 ( 18.204 10.510 -1.402) 21.067 4.301 ( -5.664 -3.270 -9.712) 11.709 5.028 ( 13.323 7.692 6.319) 16.632 5.422 ( 6.008 3.469 4.697) 8.378 6.972 ( -0.003 -0.001 9.688) 9.688 7.117 ( -8.021 -4.631 -0.856) 9.301 7.814 ( -21.305 -12.301 -3.865) 24.903 9.995 ( 1.892 1.092 1.255) 2.519 11.241 ( 0.223 0.129 -1.366) 1.390 11.262 ( -2.398 -1.385 -10.306) 10.672 12.547 ( -4.747 -2.741 -4.994) 7.415 13.089 ( 5.426 3.133 0.056) 6.266 15.146 ( -4.235 -2.445 -11.627) 12.613 15.606 ( 1.225 0.707 0.281) 1.442 18.415 ( -4.492 -2.594 19.278) 19.964 19.678 ( -4.405 -2.543 -1.624) 5.339 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 0.913 0.527 -0.113) 1.060 3.407 ( -0.429 -0.248 3.010) 3.051 3.958 ( 10.736 6.198 -2.308) 12.610 4.141 ( -4.970 -2.869 -8.463) 10.225 5.244 ( 3.645 2.104 3.782) 5.658 5.525 ( 1.569 0.906 5.170) 5.479 6.983 ( -3.078 -1.777 -2.441) 4.312 7.065 ( 2.729 1.576 5.844) 6.639 7.385 ( -11.820 -6.825 -4.403) 14.342 10.038 ( 1.201 0.693 1.146) 1.799 11.227 ( 1.499 0.866 -1.417) 2.237 11.237 ( -0.114 -0.066 -0.581) 0.595 12.468 ( -0.984 -0.568 0.345) 1.188 13.175 ( 1.881 1.086 -0.385) 2.206 15.063 ( 0.290 0.167 -6.772) 6.780 15.624 ( 0.365 0.211 0.094) 0.432 18.353 ( -5.092 -2.940 5.976) 8.384 19.614 ( -0.991 -0.572 -0.125) 1.152 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( -6.525 -3.767 -6.602) 10.018 3.496 ( 5.004 2.889 9.389) 11.025 3.901 ( -9.674 -5.585 -7.821) 13.637 4.200 ( 7.324 4.228 -2.843) 8.922 5.220 ( -6.301 -3.638 1.518) 7.432 5.531 ( -2.851 -1.646 5.921) 6.774 6.935 ( -8.419 -4.861 -5.395) 11.119 6.961 ( 2.341 1.352 -4.312) 5.089 7.461 ( 13.462 7.772 2.138) 15.691 10.049 ( -0.851 -0.491 2.112) 2.330 11.237 ( 0.421 0.243 -0.531) 0.720 11.319 ( 5.380 3.106 6.807) 9.216 12.515 ( 4.455 2.572 4.379) 6.756 13.167 ( -2.308 -1.333 -1.049) 2.864 15.120 ( 6.099 3.521 -2.034) 7.330 15.623 ( -0.533 -0.308 -0.068) 0.619 18.223 ( -6.408 -3.700 -5.185) 9.036 19.629 ( 2.100 1.213 1.185) 2.699 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( -9.536 -5.506 -7.157) 13.133 3.582 ( -16.030 -9.255 -6.051) 19.474 3.654 ( 5.120 2.956 9.673) 11.337 4.330 ( 4.932 2.847 -5.622) 8.002 4.990 ( -13.316 -7.688 1.352) 15.435 5.433 ( -7.755 -4.477 6.642) 11.149 6.820 ( 0.982 0.567 -3.966) 4.125 7.061 ( 7.985 4.610 -5.709) 10.844 7.849 ( 19.389 11.194 -0.601) 22.397 10.014 ( -2.906 -1.678 2.814) 4.379 11.252 ( 0.966 0.558 -0.328) 1.163 11.498 ( 6.769 3.908 11.089) 13.567 12.702 ( 9.551 5.514 8.282) 13.792 13.068 ( -5.561 -3.211 -1.798) 6.669 15.316 ( 10.659 6.154 1.970) 12.464 15.600 ( -1.410 -0.814 -0.220) 1.643 18.027 ( -7.661 -4.423 -13.792) 16.386 19.714 ( 4.824 2.785 1.573) 5.789 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -12.059 -6.962 -6.021) 15.170 3.133 ( -21.351 -12.327 -3.759) 24.939 3.780 ( 2.853 1.647 8.194) 8.831 4.271 ( -12.482 -7.206 -8.805) 16.890 4.743 ( -4.047 -2.336 -0.279) 4.681 5.228 ( -12.400 -7.159 9.335) 17.092 6.983 ( 14.025 8.097 1.212) 16.240 7.283 ( 13.052 7.536 -6.016) 16.227 8.319 ( 21.910 12.650 -2.850) 25.459 9.946 ( -3.571 -2.061 2.052) 4.605 11.273 ( 0.647 0.374 0.803) 1.097 11.678 ( 4.972 2.870 10.736) 12.175 12.831 ( -7.781 -4.492 3.216) 9.543 13.081 ( 13.568 7.834 6.873) 17.108 15.557 ( -2.182 -1.260 -0.381) 2.549 15.594 ( 11.984 6.919 4.248) 14.475 17.780 ( -8.483 -4.898 -19.598) 21.909 19.859 ( 7.309 4.220 1.266) 8.534 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -15.243 -8.801 -4.095) 18.071 2.592 ( -24.925 -14.390 -1.365) 28.813 3.728 ( -29.617 -17.099 -5.635) 34.660 3.838 ( 0.031 0.018 6.061) 6.061 4.717 ( -2.785 -1.608 -13.436) 13.815 5.003 ( -7.430 -4.290 17.585) 19.567 7.462 ( 26.048 15.039 6.908) 30.861 7.600 ( 15.934 9.200 -4.960) 19.056 8.818 ( 22.619 13.059 -3.924) 26.411 9.879 ( -2.239 -1.293 -0.527) 2.639 11.281 ( -0.667 -0.385 2.867) 2.969 11.779 ( 0.662 0.382 7.130) 7.171 12.583 ( -13.085 -7.554 1.127) 15.151 13.518 ( 19.967 11.528 12.333) 26.147 15.499 ( -2.727 -1.574 -0.543) 3.195 15.859 ( 9.335 5.390 2.090) 10.980 17.508 ( -8.790 -5.075 -19.861) 22.304 20.054 ( 9.358 5.403 0.755) 10.832 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -18.881 -10.901 -1.383) 21.845 1.995 ( -27.098 -15.645 1.231) 31.314 2.941 ( -37.232 -21.496 -3.275) 43.116 3.830 ( -2.020 -1.167 3.713) 4.385 4.440 ( -14.504 -8.374 -7.199) 18.230 5.057 ( 4.410 2.546 8.515) 9.922 7.949 ( 15.166 8.756 -2.724) 17.723 8.185 ( 33.467 19.322 10.008) 39.919 9.320 ( 22.487 12.983 -3.950) 26.264 9.853 ( 1.007 0.581 -4.516) 4.663 11.259 ( -2.600 -1.501 5.350) 6.135 11.746 ( -5.201 -3.003 2.074) 6.353 12.256 ( -15.936 -9.200 2.073) 18.517 14.051 ( 22.447 12.960 10.461) 27.951 15.432 ( -2.870 -1.657 -0.661) 3.379 15.994 ( 3.380 1.951 -15.023) 15.521 17.264 ( -8.132 -4.695 -0.847) 9.428 20.283 ( 10.181 5.878 0.527) 11.768 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -22.160 -12.794 2.865) 25.748 1.370 ( -28.330 -16.356 4.239) 32.986 2.027 ( -41.849 -24.162 1.764) 48.356 3.783 ( -2.679 -1.547 1.405) 3.397 4.088 ( -13.562 -7.830 -4.525) 16.301 5.193 ( 4.986 2.878 4.431) 7.265 8.245 ( 10.677 6.165 -0.215) 12.331 9.016 ( 35.115 20.274 9.477) 41.641 9.815 ( 21.937 12.665 -3.327) 25.548 9.900 ( 5.199 3.002 -8.508) 10.413 11.200 ( -4.596 -2.653 7.484) 9.175 11.555 ( -11.284 -6.515 -2.652) 13.297 11.869 ( -18.807 -10.858 3.149) 21.943 14.560 ( 20.014 11.555 -15.969) 28.091 15.368 ( -2.423 -1.399 -0.668) 2.876 15.822 ( -8.117 -4.686 -65.683) 66.348 17.252 ( 0.392 0.226 74.071) 74.073 20.508 ( 8.866 5.119 0.968) 10.283 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -0.000 19.647 22.678) 30.004 0.877 ( -0.000 26.431 18.444) 32.230 1.393 ( -0.000 36.163 34.527) 49.999 3.706 ( 0.000 2.928 -3.506) 4.568 3.755 ( 0.000 8.748 -6.899) 11.141 5.495 ( -0.000 -21.741 15.708) 26.822 8.428 ( 0.000 -5.682 0.263) 5.689 9.826 ( 0.000 -28.889 0.252) 28.890 9.913 ( 0.000 -8.527 -9.631) 12.863 10.265 ( 0.000 -24.042 -2.879) 24.214 11.073 ( 0.000 37.260 -30.049) 47.867 11.197 ( -0.000 6.463 8.146) 10.398 11.451 ( -0.000 24.071 0.968) 24.091 12.131 ( 0.000 107.468 -130.529) 169.078 15.305 ( 0.000 -0.581 0.042) 0.583 15.316 ( 0.000 1.417 -0.577) 1.530 20.064 ( -0.000 -101.360 105.953) 146.629 20.774 ( -0.000 -18.136 23.061) 29.338 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 10.160 18.974 16.938) 27.388 1.317 ( 10.859 26.729 12.541) 31.458 2.104 ( 24.198 32.331 25.891) 47.971 3.707 ( -1.084 4.628 -5.455) 7.235 3.925 ( 9.701 10.231 -6.769) 15.640 5.289 ( -8.625 -7.885 5.205) 12.793 8.241 ( -9.264 -12.996 -2.555) 16.163 9.273 ( -30.848 -11.022 -4.829) 33.112 9.756 ( -0.482 -29.097 3.666) 29.331 10.103 ( 5.844 -15.006 -6.561) 17.389 11.017 ( -11.869 5.253 2.549) 13.228 11.485 ( 10.083 18.940 -19.588) 29.053 11.721 ( 5.561 20.943 2.790) 21.847 12.887 ( 28.281 41.345 -98.419) 110.433 15.309 ( 2.581 -1.811 0.808) 3.255 15.376 ( 4.078 3.274 -5.047) 7.268 19.332 ( -25.838 -50.574 93.197) 109.137 20.631 ( -6.488 -10.590 9.309) 15.521 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 16.573 16.340 12.458) 26.398 1.829 ( 14.748 24.550 7.277) 29.550 2.941 ( 29.002 25.665 19.143) 43.200 3.720 ( -0.965 5.475 -6.519) 8.568 4.205 ( 13.566 9.411 -8.307) 18.483 5.100 ( -8.382 -2.722 2.172) 9.077 7.852 ( -12.066 -25.027 -4.119) 28.087 8.646 ( -35.268 5.342 -3.461) 35.838 9.413 ( -6.483 -29.153 3.825) 30.109 10.025 ( 1.542 -12.368 0.022) 12.464 10.940 ( 0.922 -2.385 -2.382) 3.494 11.643 ( -1.068 13.767 -19.229) 23.673 12.076 ( 12.385 15.035 1.076) 19.508 13.154 ( 7.303 15.371 -60.535) 62.881 15.360 ( 5.250 -2.700 0.830) 5.962 15.446 ( 3.156 2.493 -11.371) 12.061 18.904 ( -17.079 -24.522 70.979) 77.013 20.411 ( -9.678 -10.342 4.571) 14.883 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 13.841 15.609 11.372) 23.760 2.361 ( 19.389 20.229 2.552) 28.137 3.669 ( 13.848 9.805 0.136) 16.968 3.769 ( 11.474 15.274 6.444) 20.161 4.454 ( 9.266 4.370 -12.776) 16.376 5.003 ( -2.426 2.445 6.113) 7.017 7.366 ( -11.267 -26.829 -0.730) 29.108 8.154 ( -31.221 10.886 -0.975) 33.079 8.993 ( -12.517 -24.514 1.625) 27.573 9.933 ( 1.344 -11.295 3.661) 11.950 10.953 ( 7.493 -8.169 -5.741) 12.484 11.621 ( -6.280 9.313 -18.144) 21.339 12.411 ( 11.511 10.074 -1.379) 15.359 13.119 ( -3.779 10.270 -33.980) 35.699 15.422 ( 1.259 -0.398 -9.876) 9.964 15.439 ( 3.464 -2.871 -3.993) 6.016 18.710 ( -10.586 -14.240 53.562) 56.424 20.147 ( -10.276 -9.170 0.827) 13.798 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 9.048 15.032 10.381) 20.386 2.898 ( 21.531 15.538 -0.317) 26.553 3.677 ( -4.627 5.274 -7.254) 10.092 4.362 ( 21.057 11.551 -1.081) 24.041 4.485 ( -0.260 2.076 -1.826) 2.776 5.132 ( 7.878 5.153 7.249) 11.882 6.991 ( -4.812 -21.036 4.939) 22.137 7.768 ( -26.364 10.803 0.369) 28.493 8.517 ( -17.022 -20.569 -0.257) 26.700 9.888 ( 4.218 -9.566 3.064) 10.895 10.973 ( 9.012 -12.728 -6.224) 16.791 11.505 ( -8.363 5.964 -15.203) 18.347 12.626 ( 5.686 4.210 -5.817) 9.159 13.059 ( -5.114 13.952 -13.618) 20.156 15.306 ( -4.494 -2.876 -14.858) 15.787 15.501 ( 5.049 -2.836 0.754) 5.839 18.612 ( -7.115 -9.615 38.675) 40.483 19.902 ( -8.417 -6.867 -1.631) 10.984 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 4.843 13.372 7.955) 16.295 3.378 ( 18.561 9.944 -2.094) 21.161 3.615 ( -6.075 7.599 -4.373) 10.667 4.330 ( -5.126 -1.059 -14.257) 15.187 4.875 ( 16.320 8.027 10.540) 21.020 5.343 ( 8.285 2.422 6.013) 10.520 6.827 ( 3.126 -14.230 7.565) 16.417 7.465 ( -21.062 9.374 0.463) 23.058 8.018 ( -18.913 -15.589 -2.144) 24.603 9.907 ( 6.297 -7.056 1.882) 9.643 10.963 ( 9.807 -17.581 -4.882) 20.715 11.369 ( -7.420 4.349 -9.824) 13.057 12.653 ( -2.872 4.363 -6.144) 8.065 13.135 ( -1.377 15.413 -2.803) 15.726 15.137 ( -4.497 -4.027 -12.735) 14.093 15.553 ( 3.975 -2.727 0.429) 4.839 18.536 ( -5.721 -7.375 24.449) 26.170 19.722 ( -5.293 -4.218 -1.963) 7.047 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( -0.961 9.954 1.826) 10.166 3.517 ( -5.038 7.687 1.752) 9.356 3.800 ( 13.445 8.261 -2.766) 16.021 4.174 ( -5.867 -1.509 -11.724) 13.197 5.173 ( 8.749 1.936 6.548) 11.098 5.490 ( 5.070 -0.619 6.305) 8.114 6.845 ( 7.628 -7.336 4.478) 11.492 7.216 ( -14.351 0.197 -0.329) 14.357 7.594 ( -16.478 -2.875 -3.399) 17.068 9.967 ( 5.946 -4.224 2.054) 7.578 10.934 ( 12.262 -23.202 -2.614) 26.373 11.293 ( -3.886 5.648 -2.985) 7.477 12.630 ( -5.116 9.039 -1.133) 10.448 13.241 ( -2.924 13.405 -1.160) 13.769 15.012 ( -0.414 -3.245 -9.460) 10.010 15.585 ( 2.844 -2.937 0.148) 4.091 18.434 ( -5.899 -6.349 11.150) 14.122 19.625 ( -1.939 -1.877 -0.633) 2.772 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -9.119 6.369 -4.938) 12.170 3.573 ( -1.609 10.905 8.932) 14.188 3.952 ( -4.254 -2.515 -8.912) 10.190 4.100 ( 6.514 4.026 -5.398) 9.369 5.251 ( -0.635 -3.960 3.537) 5.348 5.548 ( 0.976 -3.258 7.304) 8.057 6.836 ( -4.132 -10.104 -5.828) 12.375 7.069 ( 1.796 2.000 1.990) 3.345 7.437 ( -3.529 8.698 -2.563) 9.731 10.022 ( 2.933 -3.051 3.364) 5.406 10.922 ( 15.506 -25.195 -1.175) 29.607 11.335 ( 1.094 7.265 3.874) 8.306 12.664 ( -3.524 12.367 3.315) 13.280 13.276 ( -6.879 11.334 -1.526) 13.346 15.011 ( 6.029 -0.663 -5.784) 8.381 15.593 ( 1.798 -3.502 -0.081) 3.938 18.283 ( -7.044 -5.889 0.326) 9.187 19.610 ( 1.140 -0.110 0.780) 1.386 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -13.783 5.173 -6.001) 15.898 3.678 ( -4.949 0.273 2.081) 5.376 3.749 ( -6.827 3.580 -0.600) 7.732 4.250 ( 6.302 4.463 -6.052) 9.811 5.111 ( -9.149 -8.533 2.329) 12.725 5.506 ( -3.675 -6.101 7.996) 10.708 6.647 ( 1.315 -12.216 -5.238) 13.357 7.182 ( -1.203 17.351 -3.889) 17.822 7.618 ( 15.392 6.141 -1.369) 16.628 10.018 ( -0.162 -5.396 4.352) 6.934 10.964 ( 16.115 -20.832 -0.792) 26.349 11.486 ( 5.159 6.757 8.310) 11.888 12.779 ( 0.676 11.567 6.660) 13.364 13.226 ( -10.702 11.500 -2.038) 15.841 15.161 ( 11.818 2.494 -2.898) 12.421 15.577 ( 0.924 -4.415 -0.230) 4.517 18.080 ( -8.529 -5.547 -6.891) 12.288 19.663 ( 3.904 1.156 1.345) 4.288 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -16.558 3.955 -4.861) 17.704 3.351 ( -17.913 -8.785 -5.799) 20.776 3.841 ( -0.704 8.142 8.044) 11.467 4.325 ( -1.020 2.260 -8.738) 9.083 4.828 ( -11.470 -9.290 1.688) 14.857 5.361 ( -8.181 -8.747 9.448) 15.254 6.658 ( 14.126 -8.529 -2.048) 16.628 7.368 ( 1.900 23.782 -5.181) 24.414 8.012 ( 22.715 6.428 -2.139) 23.704 9.951 ( -1.029 -8.312 3.889) 9.234 11.039 ( 13.338 -15.662 -0.136) 20.572 11.679 ( 5.840 5.494 8.708) 11.837 12.889 ( -1.107 -1.572 4.943) 5.303 13.208 ( -6.015 22.952 1.791) 23.795 15.418 ( 14.271 3.674 -3.379) 15.119 15.539 ( 0.703 -4.943 0.496) 5.017 17.839 ( -9.863 -4.997 -9.502) 14.579 19.774 ( 6.556 2.109 1.220) 6.994 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -19.286 1.689 -2.908) 19.577 2.890 ( -23.414 -8.790 -3.328) 25.230 3.903 ( -2.631 4.403 5.106) 7.238 4.047 ( -23.774 -9.201 -3.359) 25.712 4.687 ( -0.044 0.184 -8.831) 8.833 5.143 ( -9.688 -9.892 13.787) 19.539 6.946 ( 26.802 -5.167 1.081) 27.317 7.695 ( 7.860 28.660 -3.001) 29.870 8.476 ( 24.708 5.744 -2.447) 25.485 9.864 ( 0.052 -8.547 1.614) 8.699 11.095 ( 9.654 -13.650 1.334) 16.772 11.833 ( 2.637 4.795 5.924) 8.065 12.734 ( -11.035 -5.567 0.835) 12.388 13.497 ( 7.541 24.298 6.151) 26.174 15.463 ( 0.722 -7.554 -2.748) 8.071 15.706 ( 12.561 4.669 -5.608) 14.527 17.590 ( -10.395 -3.958 -4.024) 11.828 19.937 ( 9.120 2.791 0.882) 9.578 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -22.256 -1.538 -0.220) 22.310 2.365 ( -27.494 -6.926 -0.810) 28.364 3.399 ( -35.425 -12.631 0.318) 37.611 3.900 ( -4.073 1.835 3.136) 5.458 4.573 ( -10.321 -1.738 -12.410) 16.234 5.034 ( 1.182 -4.673 12.957) 13.824 7.428 ( 32.498 -4.235 0.770) 32.782 8.185 ( 14.258 32.042 2.094) 35.134 8.932 ( 25.147 0.109 -1.744) 25.208 9.820 ( 2.871 -3.568 -2.370) 5.156 11.104 ( 6.443 -14.203 3.115) 15.904 11.892 ( -3.425 4.997 1.761) 6.309 12.450 ( -15.177 -6.389 0.882) 16.490 13.926 ( 14.055 19.872 0.112) 24.340 15.380 ( 0.662 -8.793 -3.317) 9.421 15.870 ( 5.851 3.784 -21.841) 22.925 17.413 ( -8.149 -2.142 18.953) 20.742 20.144 ( 11.096 2.922 0.780) 11.501 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -24.907 -3.921 3.718) 25.487 1.811 ( -30.675 -4.385 1.247) 31.012 2.623 ( -42.807 -8.838 6.318) 44.164 3.837 ( -4.321 -0.643 0.077) 4.369 4.276 ( -15.872 -1.979 -6.748) 17.361 5.117 ( 6.379 -1.627 5.266) 8.430 7.919 ( 27.150 -2.431 -1.311) 27.290 8.807 ( 21.286 25.709 5.971) 33.908 9.304 ( 25.764 -11.201 -1.518) 28.135 9.914 ( 7.493 8.631 -5.644) 12.747 11.060 ( 3.697 -14.468 4.018) 15.464 11.821 ( -11.049 5.789 -2.358) 12.695 12.099 ( -18.226 -7.530 1.845) 19.806 14.289 ( 14.002 8.044 -29.064) 33.249 15.301 ( 0.858 -6.118 -3.025) 6.879 15.788 ( -6.870 4.709 -41.861) 42.681 17.486 ( 2.400 0.907 66.445) 66.495 20.369 ( 11.518 2.013 1.306) 11.765 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -0.000 19.372 16.869) 25.688 1.519 ( -0.000 26.325 12.455) 29.123 2.348 ( -0.000 38.326 22.413) 44.399 3.756 ( 0.000 4.768 -4.006) 6.228 3.922 ( 0.000 13.053 -8.701) 15.687 5.307 ( -0.000 -6.489 4.062) 7.656 8.207 ( 0.000 -15.782 -3.081) 16.080 9.175 ( 0.000 -36.513 4.489) 36.788 9.739 ( 0.000 -26.559 -3.035) 26.732 9.767 ( 0.000 -0.282 -3.332) 3.344 11.333 ( -0.000 2.215 4.470) 4.988 11.429 ( 0.000 18.652 -14.090) 23.376 11.914 ( -0.000 21.380 0.080) 21.380 12.699 ( 0.000 42.756 -93.700) 102.994 15.272 ( 0.000 -2.839 -1.238) 3.097 15.355 ( -0.000 2.891 -0.432) 2.923 19.320 ( -0.000 -49.257 77.386) 91.733 20.602 ( -0.000 -13.637 9.916) 16.861 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 6.795 18.519 12.997) 23.623 1.909 ( 9.413 24.292 9.958) 27.890 2.914 ( 14.162 32.606 15.847) 38.921 3.783 ( -0.904 6.681 -4.816) 8.285 4.090 ( 7.524 11.189 -7.690) 15.522 5.223 ( -6.025 -0.749 2.722) 6.653 7.852 ( -15.252 -22.087 -4.074) 27.148 8.927 ( 4.720 -28.135 4.662) 28.907 9.312 ( -16.589 -18.448 2.025) 24.892 9.779 ( 2.561 -6.963 -6.705) 10.000 11.134 ( -16.743 2.737 2.677) 17.175 11.646 ( 5.922 11.938 -18.754) 23.007 12.131 ( 2.714 18.433 0.757) 18.647 12.909 ( 14.674 22.167 -66.464) 71.583 15.254 ( 3.063 -4.742 -0.215) 5.650 15.400 ( 1.535 2.897 -3.534) 4.820 19.077 ( -8.097 -32.668 63.392) 71.773 20.445 ( -5.504 -13.607 6.534) 16.067 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 13.790 17.230 8.795) 23.757 2.352 ( 11.176 22.182 7.434) 25.926 3.511 ( 17.555 19.685 4.158) 26.701 3.844 ( 0.859 11.464 -1.326) 11.573 4.308 ( 9.170 7.314 -5.987) 13.169 5.139 ( -6.472 4.788 3.811) 8.907 7.336 ( -14.887 -23.808 -1.114) 28.101 8.709 ( -13.813 -6.276 0.655) 15.186 8.868 ( -10.479 -24.211 5.469) 26.942 9.702 ( 3.447 -13.037 -5.381) 14.519 10.922 ( -8.976 -0.922 -0.389) 9.032 11.708 ( -1.481 7.824 -19.367) 20.940 12.371 ( 5.814 13.492 -0.121) 14.692 13.081 ( 7.537 14.456 -42.760) 45.762 15.281 ( 6.360 -6.698 0.223) 9.239 15.411 ( -1.205 1.775 -6.616) 6.956 18.880 ( -7.607 -21.492 50.880) 55.755 20.210 ( -8.332 -11.999 2.457) 14.813 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 13.989 16.564 6.705) 22.694 2.779 ( 12.528 18.905 4.337) 23.090 3.752 ( 1.146 6.338 -9.196) 11.227 4.159 ( 14.871 13.657 -1.514) 20.247 4.488 ( 5.124 7.309 2.787) 9.351 5.148 ( -0.905 6.688 5.896) 8.962 6.916 ( -8.548 -19.836 4.036) 21.973 8.342 ( -26.560 6.128 0.598) 27.264 8.501 ( -7.546 -25.658 2.840) 26.895 9.631 ( 7.545 -16.512 -1.285) 18.200 10.793 ( -1.915 -5.966 -4.324) 7.613 11.638 ( -6.392 5.730 -15.606) 17.811 12.562 ( 4.918 6.779 -3.848) 9.216 13.188 ( 2.216 16.498 -23.665) 28.933 15.293 ( 0.612 -6.398 -6.781) 9.343 15.377 ( 1.831 -1.238 -1.329) 2.579 18.744 ( -6.153 -15.525 39.093) 42.511 19.962 ( -8.162 -9.081 -0.829) 12.238 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 7.549 16.684 5.729) 19.188 3.188 ( 15.132 13.563 0.659) 20.331 3.768 ( -2.854 7.730 -6.408) 10.438 4.338 ( 0.270 4.212 -15.822) 16.375 4.754 ( 11.275 9.299 14.254) 20.415 5.264 ( 5.142 2.965 6.260) 8.627 6.695 ( -0.563 -13.174 7.608) 15.223 7.950 ( -25.571 3.536 -1.654) 25.868 8.118 ( -11.955 -16.895 2.229) 20.817 9.640 ( 11.641 -14.604 1.317) 18.723 10.680 ( 1.196 -12.983 -6.002) 14.353 11.519 ( -7.854 5.840 -10.482) 14.341 12.650 ( 2.640 2.396 -5.252) 6.348 13.331 ( 0.117 20.328 -10.670) 22.959 15.149 ( -5.931 -4.329 -9.145) 11.728 15.424 ( 5.894 -5.064 0.650) 7.798 18.630 ( -5.457 -12.096 26.887) 29.984 19.761 ( -5.837 -5.749 -2.010) 8.436 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( -0.075 14.810 2.030) 14.949 3.543 ( 12.425 8.136 -0.952) 14.882 3.798 ( -1.698 11.519 -1.383) 11.725 4.251 ( -7.627 3.913 -12.977) 15.553 5.049 ( 10.266 1.960 9.479) 14.110 5.397 ( 6.367 -1.405 6.366) 9.112 6.681 ( 6.066 -5.459 6.938) 10.711 7.500 ( -22.331 -7.996 -3.349) 23.955 7.820 ( -12.851 -1.461 0.190) 12.935 9.749 ( 13.314 -9.027 3.459) 16.453 10.529 ( 3.820 -21.483 -4.965) 22.378 11.435 ( -5.971 7.591 -4.908) 10.834 12.690 ( 2.006 1.667 -2.565) 3.658 13.495 ( -3.266 22.516 -4.708) 23.234 14.978 ( -4.415 -4.254 -8.178) 10.221 15.469 ( 5.393 -6.044 0.351) 8.108 18.502 ( -5.706 -9.732 14.719) 18.545 19.639 ( -2.780 -2.975 -1.149) 4.231 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( -7.502 11.932 -2.762) 14.362 3.736 ( 2.026 7.193 2.985) 8.047 3.953 ( 3.823 12.091 -0.585) 12.694 4.093 ( -7.738 2.498 -11.114) 13.771 5.191 ( 4.313 -4.662 5.864) 8.644 5.486 ( 4.347 -4.776 7.016) 9.535 6.795 ( 3.472 -0.472 -0.321) 3.519 7.081 ( -10.235 -7.820 0.614) 12.895 7.635 ( -9.899 4.557 -3.890) 11.571 9.913 ( 8.952 -3.064 5.546) 10.967 10.384 ( 11.397 -27.825 -2.934) 30.211 11.436 ( -2.273 8.546 0.377) 8.851 12.743 ( 2.582 1.814 0.817) 3.259 13.609 ( -9.051 23.657 -2.219) 25.426 14.889 ( 2.266 -3.136 -6.581) 7.634 15.489 ( 4.314 -6.888 0.079) 8.127 18.344 ( -6.708 -7.834 4.637) 11.308 19.595 ( 0.099 -1.118 0.188) 1.138 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( -13.697 11.033 -3.973) 18.031 3.763 ( -5.261 -2.296 -3.700) 6.829 3.945 ( -7.159 10.692 2.072) 13.033 4.177 ( 6.191 9.614 -5.302) 12.605 5.145 ( -3.584 -9.111 4.028) 10.587 5.491 ( 0.520 -8.239 7.578) 11.206 6.588 ( -9.413 -9.176 -5.205) 14.139 7.224 ( 13.644 10.305 3.047) 17.368 7.552 ( -3.169 6.044 -6.457) 9.395 9.943 ( 0.781 -11.827 5.302) 12.985 10.430 ( 20.581 -17.645 -0.748) 27.120 11.522 ( 1.682 7.379 4.414) 8.762 12.818 ( 3.458 0.883 2.986) 4.654 13.635 ( -14.115 23.860 -0.933) 27.739 14.961 ( 10.347 -0.318 -5.248) 11.606 15.480 ( 3.167 -7.835 0.041) 8.451 18.152 ( -8.126 -6.122 -1.626) 10.303 19.616 ( 2.667 -0.007 0.863) 2.803 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -18.149 9.890 -3.024) 20.889 3.528 ( -13.332 -5.293 -6.216) 15.633 3.992 ( -2.755 8.843 4.799) 10.432 4.333 ( 2.176 10.284 -6.737) 12.485 4.931 ( -10.447 -11.052 3.589) 15.626 5.397 ( -3.521 -11.033 8.226) 14.205 6.420 ( 2.353 -7.331 -2.739) 8.172 7.550 ( 1.366 20.189 -5.172) 20.886 7.688 ( 19.795 4.309 -0.592) 20.267 9.817 ( 2.205 -19.749 4.199) 20.311 10.640 ( 16.956 -7.990 -0.426) 18.749 11.659 ( 4.776 4.790 5.880) 8.963 12.878 ( 1.984 -2.124 2.626) 3.917 13.631 ( -12.887 24.618 0.880) 27.801 15.173 ( 14.672 1.784 -6.788) 16.264 15.448 ( 2.534 -8.274 1.197) 8.736 17.939 ( -9.473 -4.322 -2.852) 10.796 19.690 ( 5.171 0.633 0.861) 5.280 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -21.330 6.861 -1.369) 22.448 3.180 ( -19.233 -4.341 -4.017) 20.121 4.025 ( -3.460 5.143 1.925) 6.490 4.320 ( -13.566 1.945 -3.459) 14.134 4.688 ( -4.824 -3.082 -1.978) 6.057 5.221 ( -6.833 -12.186 10.050) 17.211 6.522 ( 16.584 -4.100 -0.150) 17.084 7.789 ( 8.915 18.340 -5.060) 21.011 8.135 ( 21.055 9.319 1.000) 23.047 9.686 ( 4.652 -19.670 2.288) 20.342 10.814 ( 10.951 -5.589 -0.472) 12.304 11.807 ( 5.753 2.371 4.159) 7.484 12.830 ( -4.965 -4.019 0.431) 6.402 13.725 ( -3.661 22.257 1.266) 22.591 15.322 ( 4.678 -6.206 -8.868) 11.791 15.507 ( 11.792 0.510 -0.678) 11.823 17.736 ( -9.854 -2.234 3.299) 10.629 19.811 ( 7.789 0.931 0.580) 7.865 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -23.835 2.861 0.898) 24.023 2.763 ( -24.221 -2.079 -1.899) 24.384 3.870 ( -26.412 -3.148 0.245) 26.600 4.019 ( -8.028 0.043 3.066) 8.594 4.657 ( -2.624 5.686 -12.949) 14.383 5.033 ( -4.698 -10.869 13.473) 17.937 6.878 ( 27.223 -2.108 0.396) 27.308 8.194 ( 17.422 19.824 -1.591) 26.439 8.540 ( 18.190 0.196 2.014) 18.302 9.637 ( 8.200 -10.769 -0.823) 13.561 10.901 ( 5.916 -5.567 0.177) 8.125 11.916 ( 3.639 0.748 0.356) 3.732 12.644 ( -12.002 -3.028 -0.383) 12.383 13.914 ( 5.306 11.728 -7.019) 14.662 15.273 ( 1.022 -4.928 -4.115) 6.502 15.706 ( 9.912 2.632 -13.639) 17.065 17.611 ( -7.394 -0.031 21.001) 22.265 19.978 ( 10.315 0.741 0.430) 10.351 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -25.377 1.240 4.189) 25.750 2.297 ( -28.272 -0.403 -0.652) 28.282 3.308 ( -36.924 1.701 8.219) 37.866 3.905 ( -5.380 -2.389 -2.259) 6.306 4.523 ( -13.646 5.320 -9.731) 17.584 4.997 ( 4.925 -6.043 7.296) 10.678 7.374 ( 31.473 -0.815 -1.530) 31.520 8.705 ( 11.749 -1.513 -0.033) 11.847 8.767 ( 26.450 -0.060 3.007) 26.620 9.778 ( 11.889 3.810 -1.770) 12.610 10.926 ( 2.745 -2.960 -0.062) 4.037 11.930 ( -1.438 -1.441 -3.854) 4.359 12.373 ( -16.970 -0.684 -0.023) 16.984 14.010 ( 7.760 -5.383 -29.041) 30.538 15.270 ( 0.759 3.458 0.444) 3.568 15.763 ( 1.193 3.446 -25.871) 26.127 17.679 ( 0.753 1.448 50.767) 50.793 20.176 ( 12.028 -0.335 0.792) 12.059 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -0.000 15.711 13.092) 20.451 2.084 ( -0.000 22.997 8.631) 24.563 3.178 ( -0.000 32.088 8.577) 33.215 3.832 ( 0.000 5.647 -4.056) 6.952 4.129 ( 0.000 13.390 -4.592) 14.155 5.295 ( -0.000 3.223 2.417) 4.028 7.792 ( 0.000 -21.636 -5.429) 22.307 8.492 ( -0.000 -36.078 7.418) 36.833 9.177 ( 0.000 -27.603 -3.643) 27.843 9.843 ( -0.000 6.791 3.546) 7.661 11.344 ( 0.000 -2.347 -0.542) 2.409 11.636 ( 0.000 13.195 -15.887) 20.652 12.281 ( 0.000 16.740 -3.287) 17.060 12.737 ( 0.000 19.423 -56.871) 60.096 15.161 ( 0.000 -6.756 -3.334) 7.533 15.420 ( -0.000 3.681 0.036) 3.681 19.035 ( -0.000 -29.627 53.975) 61.572 20.373 ( -0.000 -14.807 5.793) 15.900 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 7.041 15.034 9.663) 19.209 2.413 ( 8.648 20.127 7.534) 23.166 3.522 ( 5.832 20.726 -2.691) 21.699 3.902 ( 3.031 7.897 -3.052) 8.992 4.295 ( 3.286 14.332 2.276) 14.879 5.316 ( -4.641 7.895 2.507) 9.495 7.376 ( -15.922 -22.519 -2.169) 27.665 8.343 ( 14.271 -32.194 6.490) 35.808 8.867 ( -3.244 -25.643 -2.218) 25.942 9.807 ( -13.355 8.280 1.351) 15.771 11.132 ( -15.545 -3.289 -1.655) 15.975 11.713 ( 1.281 9.185 -19.553) 21.641 12.453 ( 2.213 14.280 -1.215) 14.501 12.863 ( 13.474 13.142 -40.677) 44.821 15.106 ( 3.957 -8.802 -3.111) 10.139 15.448 ( -1.182 3.351 -0.892) 3.664 18.918 ( -3.154 -23.523 45.080) 50.946 20.205 ( -4.526 -13.589 3.016) 14.637 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 13.511 15.214 5.334) 21.035 2.795 ( 10.685 17.108 7.066) 21.373 3.713 ( 4.149 7.038 -11.212) 13.873 4.087 ( 8.523 9.881 -4.461) 13.791 4.530 ( 4.042 15.530 9.483) 18.640 5.320 ( -6.223 9.841 3.226) 12.082 6.917 ( -12.109 -18.895 3.078) 22.652 8.262 ( 6.351 -27.663 4.929) 28.808 8.570 ( -3.799 -20.107 -0.416) 20.467 9.603 ( -16.551 5.473 -1.220) 17.475 10.842 ( -10.828 -5.955 -3.729) 12.907 11.715 ( -2.327 6.534 -16.554) 17.948 12.587 ( 0.143 9.148 -2.712) 9.543 13.110 ( 13.398 13.778 -26.803) 32.981 15.095 ( 6.772 -10.813 -2.276) 12.960 15.429 ( -3.933 2.613 -1.753) 5.037 18.794 ( -3.839 -18.774 36.237) 40.992 19.991 ( -6.504 -10.573 -0.042) 12.414 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 14.856 15.331 1.946) 21.436 3.149 ( 9.337 14.003 6.163) 17.924 3.779 ( 3.308 3.373 -10.534) 11.545 4.295 ( 6.829 8.263 -8.837) 13.893 4.784 ( 4.033 12.574 11.847) 17.741 5.322 ( -4.527 6.748 4.438) 9.259 6.639 ( -4.219 -12.204 7.228) 14.798 8.037 ( -4.269 -22.270 2.350) 22.797 8.311 ( -9.679 -11.594 0.040) 15.103 9.419 ( -4.548 -2.289 0.937) 5.177 10.609 ( -6.546 -8.777 -6.454) 12.710 11.657 ( -5.376 6.086 -11.167) 13.808 12.631 ( -0.094 3.599 -4.692) 5.914 13.390 ( 9.786 17.509 -15.993) 25.654 15.084 ( 4.677 -11.022 -2.441) 12.219 15.366 ( -3.985 0.767 -1.245) 4.245 18.672 ( -4.089 -15.305 26.541) 30.909 19.792 ( -5.765 -6.862 -1.712) 9.124 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 8.200 15.015 -0.153) 17.109 3.429 ( 8.737 8.783 2.702) 12.679 3.852 ( 4.653 5.124 -5.886) 9.085 4.395 ( -2.640 10.667 -9.667) 14.636 4.982 ( 4.132 4.565 10.125) 11.850 5.339 ( 0.433 0.394 5.672) 5.702 6.581 ( 3.340 -3.996 7.985) 9.533 7.700 ( -13.612 -15.927 -1.470) 21.003 8.012 ( -12.581 -7.163 0.063) 14.477 9.439 ( 10.104 -6.010 4.294) 12.516 10.372 ( -6.186 -12.691 -6.966) 15.744 11.591 ( -5.661 6.980 -6.143) 10.886 12.645 ( 1.689 0.296 -3.538) 3.932 13.668 ( 5.866 20.537 -9.490) 23.371 14.998 ( -3.079 -6.628 -3.065) 7.925 15.324 ( 1.907 -4.835 -0.155) 5.200 18.538 ( -4.637 -12.229 16.238) 20.850 19.654 ( -3.468 -3.715 -1.460) 5.288 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( -2.816 11.633 -1.693) 12.088 3.656 ( 9.375 3.490 -0.813) 10.037 4.004 ( 5.320 10.024 -3.008) 11.740 4.350 ( -12.185 13.589 -6.123) 19.251 5.084 ( 4.042 -4.361 7.410) 9.501 5.380 ( 3.879 -4.931 6.061) 8.723 6.713 ( 8.225 4.259 4.920) 10.488 7.262 ( -19.459 -10.872 -2.201) 22.399 7.774 ( -7.295 -5.840 -2.176) 9.595 9.651 ( 17.459 -4.059 5.961) 18.890 10.098 ( -5.672 -17.156 -4.710) 18.673 11.567 ( -3.669 7.512 -2.061) 8.610 12.678 ( 3.823 -1.270 -1.321) 4.240 13.918 ( 0.665 23.078 -5.237) 23.674 14.860 ( -4.664 -3.209 -3.303) 6.554 15.319 ( 5.200 -9.264 0.258) 10.627 18.387 ( -5.564 -9.208 7.253) 12.975 19.587 ( -0.941 -1.694 -0.392) 1.977 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( -7.942 9.401 -1.987) 12.466 3.770 ( 1.813 -1.045 -1.875) 2.810 4.116 ( -3.731 9.206 -10.906) 14.752 4.316 ( -5.396 18.284 4.696) 19.634 5.084 ( 1.207 -9.686 5.542) 11.224 5.391 ( 2.839 -9.717 5.780) 11.657 6.740 ( -16.326 -3.216 -4.199) 17.161 7.078 ( 11.709 5.610 4.775) 13.834 7.632 ( -2.892 -1.916 -4.902) 6.006 9.818 ( -4.075 -19.151 -0.234) 19.581 9.972 ( 20.453 -2.652 3.805) 20.972 11.596 ( -0.972 6.391 1.116) 6.560 12.738 ( 5.032 -1.903 0.242) 5.386 14.082 ( -8.370 24.299 -1.757) 25.761 14.800 ( 3.525 -1.783 -4.492) 5.982 15.313 ( 5.522 -11.013 0.691) 12.340 18.219 ( -6.765 -6.289 1.596) 9.373 19.580 ( 1.321 -0.607 0.308) 1.486 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( -13.489 8.588 -0.829) 16.013 3.666 ( -9.390 -2.044 -4.551) 10.633 4.099 ( -2.321 6.658 -4.867) 8.567 4.465 ( -2.101 17.485 0.703) 17.625 4.971 ( -4.642 -10.829 4.757) 12.706 5.324 ( 0.478 -13.165 5.767) 14.380 6.430 ( -10.827 -4.012 -1.701) 11.672 7.435 ( 15.758 6.383 1.283) 17.050 7.638 ( 4.635 8.698 -4.462) 10.819 9.579 ( -0.324 -21.090 1.328) 21.134 10.308 ( 18.351 -0.328 1.545) 18.419 11.661 ( 1.703 3.662 2.870) 4.954 12.803 ( 4.426 -2.234 0.289) 4.967 14.096 ( -14.433 20.296 0.112) 24.905 14.924 ( 12.500 1.109 -6.995) 14.367 15.299 ( 4.829 -10.337 2.123) 11.606 18.047 ( -7.914 -3.449 0.537) 8.649 19.620 ( 3.476 -0.112 0.390) 3.500 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( -19.612 5.685 0.566) 20.427 3.429 ( -14.409 -0.690 -3.569) 14.861 4.108 ( -1.707 3.395 -3.427) 5.117 4.543 ( -6.935 10.735 -2.261) 12.979 4.769 ( -8.339 -6.480 3.281) 11.059 5.205 ( -2.007 -12.041 6.683) 13.917 6.325 ( 2.661 -1.626 0.695) 3.195 7.670 ( 12.326 2.458 -2.128) 12.748 7.975 ( 15.651 14.068 -0.010) 21.044 9.415 ( 3.248 -16.758 1.436) 17.130 10.583 ( 13.693 -0.347 -1.153) 13.745 11.742 ( 4.162 0.371 2.252) 4.746 12.830 ( 0.881 -2.099 -1.025) 2.497 14.026 ( -11.267 11.482 -1.691) 16.175 15.132 ( 10.780 2.320 -10.737) 15.391 15.320 ( 7.522 -5.878 4.613) 10.602 17.895 ( -8.260 -0.698 5.393) 9.889 19.699 ( 5.790 -0.017 0.108) 5.792 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( -22.897 1.373 2.429) 23.066 3.131 ( -19.770 1.483 -1.952) 19.921 4.059 ( -4.184 -0.631 -4.910) 6.482 4.339 ( -20.997 0.622 5.632) 21.748 4.692 ( -0.177 3.670 -7.317) 8.187 5.073 ( -5.577 -6.791 8.420) 12.171 6.491 ( 16.337 0.361 1.639) 16.423 7.969 ( 18.706 4.298 1.210) 19.232 8.304 ( 13.501 -2.072 0.112) 13.660 9.414 ( 7.871 -0.933 -0.152) 7.928 10.759 ( 8.265 -0.340 -2.107) 8.536 11.819 ( 5.462 -2.453 -0.978) 6.067 12.774 ( -5.292 -0.556 -2.120) 5.728 13.919 ( -4.589 -2.625 -9.160) 10.576 15.232 ( 2.440 4.355 -3.124) 5.889 15.484 ( 12.564 -0.653 -6.044) 13.958 17.809 ( -6.465 1.586 17.790) 18.995 19.818 ( 8.281 -0.371 -0.206) 8.292 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -23.563 -0.252 5.342) 24.162 2.766 ( -24.975 3.696 -1.313) 25.281 3.911 ( -13.736 1.507 -3.599) 14.280 3.984 ( -19.918 0.057 7.453) 21.267 4.703 ( -1.433 6.326 -14.972) 16.317 4.950 ( -5.438 -4.443 11.771) 13.707 6.873 ( 25.749 1.526 0.316) 25.796 8.274 ( 13.530 -20.711 4.929) 25.225 8.493 ( 20.462 3.247 -1.836) 20.799 9.646 ( 10.469 11.169 -0.091) 15.308 10.870 ( 4.829 3.642 -2.609) 6.587 11.855 ( 3.594 -5.000 -5.517) 8.267 12.628 ( -11.491 2.220 -1.921) 11.860 13.737 ( 0.308 -15.473 -21.212) 26.258 15.323 ( 1.051 8.505 1.285) 8.666 15.624 ( 7.910 0.322 -16.842) 18.610 17.858 ( -0.969 2.446 37.242) 37.335 19.971 ( 10.538 -1.479 -0.217) 10.644 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -0.000 11.303 10.091) 15.152 2.552 ( -0.000 19.113 5.515) 19.893 3.638 ( 0.000 14.312 -9.494) 17.175 3.915 ( 0.000 5.515 -3.736) 6.661 4.469 ( -0.000 20.204 8.654) 21.979 5.456 ( -0.000 10.555 1.685) 10.689 7.325 ( 0.000 -20.968 -4.432) 21.431 7.878 ( -0.000 -31.624 9.746) 33.092 8.605 ( 0.000 -27.102 -3.920) 27.384 10.039 ( -0.000 8.129 6.388) 10.339 11.253 ( 0.000 -4.366 -4.234) 6.082 11.726 ( 0.000 9.406 -20.369) 22.436 12.522 ( 0.000 12.401 -10.411) 16.192 12.742 ( 0.000 10.952 -22.175) 24.732 14.963 ( 0.000 -9.685 -5.282) 11.032 15.495 ( -0.000 3.539 0.400) 3.561 18.866 ( -0.000 -21.918 38.552) 44.348 20.119 ( 0.000 -13.120 1.948) 13.264 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 8.797 10.798 7.216) 15.686 2.814 ( 7.309 15.689 5.304) 18.103 3.706 ( 0.372 6.981 -11.955) 13.849 4.013 ( 6.281 5.759 -4.183) 9.493 4.716 ( 0.480 20.319 10.438) 22.848 5.534 ( -4.447 11.649 1.434) 12.551 6.962 ( -12.841 -18.317 0.970) 22.391 7.796 ( 15.422 -27.456 7.419) 32.353 8.326 ( 0.070 -25.977 -3.481) 26.209 10.017 ( -14.188 9.308 4.099) 17.457 11.005 ( -16.800 -5.944 -5.338) 18.603 11.741 ( -0.057 7.613 -18.217) 19.744 12.681 ( 1.716 10.387 -3.063) 10.965 12.866 ( 14.283 9.269 -19.982) 26.252 14.879 ( 3.894 -10.713 -4.662) 12.315 15.511 ( -2.237 3.084 0.116) 3.812 18.773 ( -1.614 -19.292 31.686) 37.131 19.971 ( -3.438 -10.701 0.065) 11.240 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 15.117 12.032 3.167) 19.578 3.123 ( 10.236 11.004 6.390) 16.330 3.724 ( 1.067 3.264 -11.044) 11.565 4.195 ( 9.612 6.074 -5.098) 12.461 4.937 ( -0.339 15.773 9.395) 18.362 5.541 ( -8.081 10.038 1.716) 13.000 6.643 ( -7.148 -11.864 5.961) 15.079 7.799 ( 8.769 -22.276 5.373) 24.536 8.092 ( 4.220 -24.759 -2.625) 25.253 9.787 ( -23.969 10.521 1.939) 26.248 10.653 ( -11.742 -8.729 -5.972) 15.802 11.737 ( -1.994 6.280 -12.691) 14.299 12.702 ( -4.474 5.310 -3.841) 7.935 13.232 ( 19.266 12.977 -14.259) 27.256 14.845 ( 6.560 -12.125 -2.318) 13.979 15.475 ( -5.217 2.535 -0.325) 5.810 18.661 ( -2.464 -16.460 24.023) 29.225 19.807 ( -4.613 -7.252 -1.323) 8.697 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 15.530 13.126 -0.667) 20.345 3.402 ( 8.280 6.706 7.019) 12.759 3.750 ( 4.741 1.158 -8.410) 9.723 4.407 ( 8.595 7.913 -5.667) 12.985 5.071 ( -2.079 8.805 7.319) 11.637 5.470 ( -9.607 5.441 2.805) 11.392 6.539 ( 0.832 -3.498 7.843) 8.628 7.660 ( -2.370 -17.146 1.347) 17.362 7.952 ( 3.966 -21.047 -0.833) 21.433 9.508 ( -16.561 6.873 3.338) 18.239 10.379 ( -8.574 -8.799 -6.750) 14.017 11.710 ( -3.573 5.832 -7.688) 10.290 12.650 ( -3.250 1.539 -3.347) 4.913 13.633 ( 15.213 16.435 -10.496) 24.732 14.838 ( 7.183 -12.598 0.294) 14.505 15.381 ( -7.651 1.273 -0.749) 7.792 18.536 ( -3.191 -13.254 15.662) 20.764 19.673 ( -3.712 -4.048 -1.444) 5.679 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( 7.648 11.175 -2.638) 13.796 3.556 ( 3.317 2.818 1.909) 4.753 3.904 ( 13.107 3.209 -1.979) 13.638 4.579 ( 1.324 12.128 -5.849) 13.529 5.083 ( -4.338 0.167 5.686) 7.154 5.366 ( -5.675 -1.185 4.460) 7.314 6.645 ( 7.370 4.852 6.418) 10.911 7.418 ( -9.766 -11.308 -1.591) 15.026 7.749 ( -4.249 -16.972 -0.971) 17.522 9.452 ( 3.190 2.163 4.844) 6.190 10.108 ( -10.486 -8.830 -5.386) 14.729 11.685 ( -3.420 5.627 -3.762) 7.583 12.617 ( 0.429 -0.744 -1.914) 2.098 13.996 ( 10.601 18.656 -7.683) 22.791 14.838 ( 4.715 -9.300 2.191) 10.655 15.241 ( -6.877 -2.960 -1.124) 7.571 18.403 ( -4.014 -9.654 7.972) 13.148 19.592 ( -1.874 -1.878 -0.731) 2.752 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( -3.695 5.269 -0.885) 6.496 3.683 ( 6.517 0.669 -1.257) 6.670 4.179 ( 9.126 10.983 -4.298) 14.912 4.620 ( -9.215 13.292 -1.562) 16.249 5.010 ( -1.290 -6.230 4.887) 8.022 5.283 ( -0.833 -8.787 4.258) 9.800 6.910 ( 8.845 12.531 2.346) 15.517 7.081 ( -16.318 -6.106 -0.081) 17.423 7.543 ( 0.822 -14.799 -2.478) 15.028 9.640 ( 12.418 -0.559 0.605) 12.445 9.825 ( -8.397 -8.551 0.720) 12.006 11.680 ( -2.152 4.523 -0.903) 5.090 12.638 ( 3.706 -1.451 -0.732) 4.047 14.307 ( 6.205 19.200 -5.021) 20.793 14.814 ( -3.558 -0.418 1.325) 3.820 15.107 ( 1.654 -12.104 -0.171) 12.218 18.267 ( -4.930 -5.976 2.781) 8.231 19.562 ( 0.005 -0.730 -0.095) 0.736 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.497 ( -5.805 3.262 0.217) 6.662 3.736 ( -0.382 -0.482 -1.583) 1.698 4.275 ( -9.817 13.034 -9.660) 18.962 4.642 ( 1.773 6.363 6.373) 9.179 4.943 ( -3.395 -3.978 2.181) 5.666 5.189 ( 1.497 -12.880 3.284) 13.376 6.676 ( -19.926 -0.769 -0.225) 19.942 7.287 ( 12.239 10.714 2.363) 16.437 7.496 ( 10.247 -8.068 -3.201) 13.429 9.512 ( -9.120 -7.471 -1.358) 11.867 9.989 ( 18.809 -1.249 2.304) 18.990 11.689 ( -0.680 2.052 0.871) 2.331 12.701 ( 4.954 -1.095 -0.671) 5.117 14.497 ( -8.824 16.334 -0.820) 18.583 14.750 ( 3.249 -0.047 -5.013) 5.974 15.089 ( 8.499 -10.964 2.887) 14.170 18.140 ( -5.779 -2.501 1.367) 6.443 19.573 ( 1.766 -0.268 0.050) 1.787 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( -11.709 0.612 1.919) 11.880 3.640 ( -9.973 1.860 -2.098) 10.360 4.173 ( -6.071 3.249 -5.411) 8.758 4.738 ( -2.409 6.038 2.659) 7.023 4.808 ( -4.928 -8.761 0.587) 10.069 5.138 ( 1.076 -3.424 3.267) 4.853 6.406 ( -11.148 1.292 2.385) 11.473 7.486 ( 10.082 -0.260 -0.844) 10.120 7.762 ( 17.673 1.928 0.184) 17.779 9.341 ( -4.652 -0.417 0.439) 4.691 10.298 ( 18.088 -1.554 -1.808) 18.244 11.699 ( 0.944 -1.321 0.862) 1.838 12.768 ( 3.822 -0.316 -1.881) 4.271 14.308 ( -16.042 -1.004 -2.848) 16.324 14.932 ( 12.769 4.782 -5.989) 14.892 15.173 ( 6.719 -2.132 4.193) 8.202 18.037 ( -6.092 0.533 4.540) 7.617 19.617 ( 3.619 -0.245 -0.224) 3.635 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( -19.012 -3.643 3.658) 19.700 3.455 ( -14.815 4.887 -1.210) 15.647 4.075 ( -3.663 -4.132 -5.572) 7.845 4.641 ( -4.598 -9.696 5.458) 12.039 4.698 ( -7.972 6.869 -3.632) 11.132 5.153 ( -2.604 4.473 2.857) 5.911 6.361 ( 2.015 3.558 4.093) 5.786 7.715 ( 15.756 1.716 1.394) 15.910 7.980 ( 13.003 -13.762 0.741) 18.948 9.390 ( 2.781 13.898 -0.675) 14.190 10.557 ( 14.400 -0.042 -3.453) 14.809 11.702 ( 3.037 -4.624 -1.633) 5.768 12.800 ( 0.627 0.714 -3.662) 3.783 13.969 ( -13.245 -12.343 -6.506) 19.239 15.176 ( 12.251 4.696 -7.412) 15.069 15.294 ( 5.062 3.001 3.540) 6.868 17.985 ( -5.028 2.691 12.860) 14.067 19.691 ( 5.713 -0.623 -0.691) 5.788 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -20.624 -4.665 6.229) 22.044 3.210 ( -20.409 7.569 -1.045) 21.792 3.919 ( -3.969 -8.523 -6.820) 11.615 4.469 ( -15.905 3.312 10.831) 19.526 4.642 ( 0.142 1.358 -9.887) 9.981 5.132 ( -7.538 6.148 3.619) 10.379 6.564 ( 14.208 5.106 4.005) 15.620 7.917 ( 6.253 -21.518 5.381) 23.046 8.100 ( 23.294 -2.922 -1.506) 23.525 9.644 ( 6.360 17.327 -1.379) 18.509 10.783 ( 10.420 6.424 -3.300) 12.678 11.698 ( 4.536 -6.961 -6.209) 10.372 12.772 ( -3.791 2.225 -4.801) 6.509 13.579 ( -9.511 -19.627 -10.823) 24.348 15.373 ( 7.953 5.056 -7.664) 12.147 15.417 ( 5.134 2.685 -2.173) 6.188 18.024 ( -1.651 3.219 25.765) 26.018 19.794 ( 7.881 -1.597 -1.087) 8.115 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -0.000 7.154 7.491) 10.359 2.917 ( -0.000 14.281 3.811) 14.780 3.726 ( 0.000 5.089 -11.249) 12.346 3.991 ( 0.000 4.639 -3.443) 5.777 4.951 ( -0.000 19.337 8.940) 21.304 5.694 ( -0.000 11.699 0.570) 11.713 6.928 ( 0.000 -16.413 -1.768) 16.508 7.400 ( -0.000 -23.740 10.919) 26.131 8.062 ( 0.000 -24.552 -3.905) 24.861 10.211 ( -0.000 4.172 4.749) 6.321 11.149 ( 0.000 -2.000 -4.310) 4.752 11.738 ( 0.000 7.223 -20.293) 21.540 12.647 ( 0.000 8.218 -8.845) 12.074 12.838 ( 0.000 7.380 -5.075) 8.957 14.726 ( 0.000 -9.476 -5.886) 11.155 15.560 ( -0.000 2.676 0.450) 2.714 18.704 ( -0.000 -18.125 26.256) 31.904 19.900 ( 0.000 -9.228 -0.502) 9.242 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 11.009 6.572 5.195) 13.834 3.106 ( 5.530 10.166 4.279) 12.338 3.725 ( -0.746 3.752 -9.093) 9.865 4.082 ( 6.724 4.252 -3.778) 8.807 5.141 ( -1.398 15.032 6.852) 16.579 5.763 ( -4.932 10.279 0.166) 11.403 6.679 ( -7.992 -11.583 3.315) 14.458 7.384 ( 14.440 -19.331 7.758) 25.346 7.814 ( 0.027 -22.577 -3.620) 22.866 10.188 ( -8.663 4.784 2.428) 10.190 10.866 ( -23.162 -3.370 -4.619) 23.857 11.761 ( 1.026 6.412 -14.568) 15.950 12.822 ( -1.128 6.536 -4.272) 7.889 12.936 ( 17.852 7.006 -6.269) 20.176 14.643 ( 2.907 -9.076 -4.148) 10.393 15.566 ( -2.435 2.187 0.241) 3.282 18.608 ( -1.054 -15.899 20.052) 25.612 19.794 ( -2.434 -6.617 -1.127) 7.140 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 18.229 7.772 1.759) 19.895 3.320 ( 8.528 4.441 5.954) 11.309 3.714 ( -0.826 2.633 -6.749) 7.292 4.267 ( 11.136 4.403 -4.030) 12.635 5.241 ( -3.677 9.454 4.652) 11.160 5.723 ( -10.056 7.404 0.094) 12.488 6.534 ( -1.420 -4.042 6.444) 7.738 7.467 ( 9.094 -14.691 4.047) 17.746 7.611 ( 4.777 -20.882 -2.118) 21.526 10.000 ( -23.346 9.002 2.045) 25.105 10.442 ( -13.745 -7.945 -5.001) 16.645 11.774 ( -1.155 5.332 -9.491) 10.947 12.758 ( -7.202 2.958 -2.442) 8.160 13.397 ( 24.087 10.600 -6.379) 27.078 14.609 ( 4.853 -9.907 -0.654) 11.051 15.517 ( -5.684 1.749 -0.201) 5.951 18.501 ( -1.801 -12.804 13.270) 18.528 19.688 ( -3.141 -3.814 -1.219) 5.089 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( 15.791 8.623 -2.763) 18.203 3.533 ( 10.346 1.627 8.614) 13.560 3.710 ( 2.820 -0.563 -4.324) 5.193 4.507 ( 12.327 5.305 -3.953) 13.990 5.231 ( -6.953 3.800 2.524) 8.316 5.572 ( -13.451 3.256 0.733) 13.858 6.594 ( 6.061 2.928 6.077) 9.068 7.359 ( -0.999 -13.243 -2.531) 13.519 7.582 ( 5.869 -14.269 2.028) 15.562 9.664 ( -20.560 5.365 3.113) 21.475 10.193 ( -8.523 -5.120 -4.723) 11.007 11.764 ( -2.163 4.249 -5.772) 7.487 12.655 ( -5.435 0.829 -0.845) 5.562 13.879 ( 19.872 14.017 -5.872) 25.017 14.608 ( 6.951 -11.309 3.047) 13.620 15.398 ( -9.657 0.907 -0.852) 9.737 18.392 ( -2.447 -9.079 6.787) 11.596 19.609 ( -2.453 -1.662 -0.760) 3.059 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.566 ( 7.252 1.239 -1.472) 7.503 3.635 ( -2.648 4.070 0.195) 4.860 3.949 ( 22.060 1.024 2.831) 22.264 4.745 ( 8.818 7.498 -4.206) 12.315 5.083 ( -11.709 -2.490 1.712) 12.092 5.355 ( -12.345 -2.140 1.296) 12.596 6.824 ( 12.539 6.374 3.879) 14.591 7.223 ( -2.199 -5.651 -3.702) 7.104 7.442 ( -8.353 -10.723 1.330) 13.658 9.523 ( -0.132 0.854 2.604) 2.743 9.966 ( -12.480 -2.146 -2.473) 12.902 11.747 ( -2.132 2.793 -2.713) 4.439 12.603 ( -0.906 0.140 0.372) 0.989 14.294 ( 12.640 16.125 -5.265) 21.154 14.658 ( 11.135 -11.918 5.771) 17.301 15.195 ( -13.628 -0.574 -1.652) 13.740 18.289 ( -3.039 -5.171 1.971) 6.313 19.566 ( -1.189 -0.430 -0.220) 1.284 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.588 ( -2.904 0.270 0.482) 2.956 3.687 ( 4.317 0.862 -0.705) 4.459 4.337 ( 17.838 3.792 0.885) 18.258 4.731 ( -17.149 -0.525 -1.593) 17.231 4.998 ( 7.294 -0.105 1.599) 7.468 5.119 ( -10.950 -5.002 -0.667) 12.057 7.019 ( -10.448 -1.017 0.204) 10.499 7.165 ( 5.332 -5.722 -0.581) 7.843 7.262 ( 4.664 6.686 0.394) 8.162 9.646 ( 7.736 1.340 -2.178) 8.148 9.732 ( -7.755 -1.969 2.307) 8.327 11.725 ( -1.782 0.431 -0.442) 1.886 12.627 ( 2.794 0.642 0.410) 2.896 14.566 ( 6.799 7.881 -1.195) 10.477 14.808 ( 12.665 -10.757 2.388) 16.787 14.926 ( -14.571 4.905 -1.309) 15.430 18.202 ( -3.514 -1.549 -0.000) 3.841 19.556 ( 0.147 0.063 -0.000) 0.159 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( -5.479 -2.176 1.817) 6.169 3.739 ( -0.032 1.946 -1.231) 2.302 4.382 ( -17.375 -0.764 -2.586) 17.583 4.593 ( 9.944 -11.872 4.332) 16.081 4.898 ( -5.414 -1.967 -1.947) 6.081 5.144 ( 2.604 8.439 -0.246) 8.835 6.717 ( -19.825 3.664 3.508) 20.464 7.217 ( 14.137 -12.641 -3.880) 19.358 7.558 ( 10.443 9.975 2.184) 14.606 9.536 ( -11.057 9.414 1.028) 14.558 9.935 ( 19.592 -3.318 -2.557) 20.034 11.686 ( -1.439 -2.794 0.322) 3.159 12.698 ( 3.891 1.361 -0.855) 4.210 14.503 ( -14.240 -14.480 -1.060) 20.336 14.767 ( 8.105 3.507 -1.806) 9.014 15.089 ( 7.985 9.434 1.996) 12.520 18.142 ( -3.661 1.377 1.540) 4.204 19.571 ( 1.530 0.076 -0.187) 1.543 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.333 ( -12.394 -7.009 3.352) 14.628 3.704 ( -7.519 5.045 -0.896) 9.099 4.107 ( -9.636 -6.577 -2.938) 12.031 4.502 ( 1.963 -17.303 1.240) 17.458 4.907 ( -3.239 9.837 0.047) 10.357 5.252 ( -0.023 8.664 -0.072) 8.665 6.510 ( -10.887 6.193 5.569) 13.707 7.378 ( 18.683 -9.485 -3.658) 21.270 7.738 ( 4.926 -3.737 4.077) 7.406 9.556 ( -2.886 18.263 -0.280) 18.492 10.248 ( 19.802 0.944 -3.769) 20.180 11.622 ( -0.575 -6.137 -1.188) 6.277 12.765 ( 2.667 1.400 -2.930) 4.203 14.064 ( -16.387 -18.127 -2.891) 24.607 14.958 ( 11.457 1.280 -2.399) 11.775 15.303 ( 4.852 9.923 1.433) 11.138 18.120 ( -3.037 3.185 6.809) 8.107 19.608 ( 3.105 -0.273 -0.672) 3.189 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( -16.750 -7.938 5.902) 19.453 3.582 ( -13.310 7.499 -1.071) 15.315 3.873 ( -5.890 -10.843 -5.038) 13.329 4.429 ( 4.473 -9.347 -1.083) 10.418 4.901 ( -10.170 11.100 2.201) 15.215 5.305 ( -3.461 7.619 0.780) 8.404 6.523 ( 1.122 8.677 6.629) 10.977 7.575 ( 14.317 -18.523 -2.607) 23.555 7.757 ( 8.875 -5.130 4.865) 11.347 9.740 ( 2.192 17.137 -2.255) 17.423 10.615 ( 17.412 10.874 -2.735) 20.710 11.545 ( 1.516 -8.324 -4.995) 9.825 12.784 ( 0.330 -0.109 -5.285) 5.297 13.583 ( -15.501 -20.018 -3.318) 25.534 15.147 ( 11.228 -0.146 -6.580) 13.015 15.458 ( 2.301 8.137 0.917) 8.506 18.156 ( -1.091 3.385 15.356) 15.762 19.666 ( 4.867 -1.061 -1.269) 5.141 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -0.000 3.404 5.018) 6.064 3.166 ( -0.000 7.902 3.865) 8.797 3.742 ( 0.000 3.712 -6.614) 7.585 4.046 ( 0.000 3.369 -3.734) 5.029 5.308 ( -0.000 11.351 4.544) 12.226 5.900 ( -0.000 8.596 -0.606) 8.617 6.660 ( 0.000 -10.254 1.051) 10.308 7.107 ( -0.000 -13.518 10.007) 16.818 7.597 ( 0.000 -18.906 -3.804) 19.285 10.259 ( -0.000 -0.649 0.578) 0.869 11.129 ( 0.000 1.651 -1.297) 2.099 11.739 ( 0.000 6.078 -15.191) 16.362 12.731 ( 0.000 4.623 -3.732) 5.941 12.934 ( 0.000 4.469 -1.034) 4.587 14.534 ( 0.000 -5.811 -3.600) 6.836 15.605 ( -0.000 1.539 0.286) 1.565 18.531 ( -0.000 -14.029 15.077) 20.595 19.753 ( 0.000 -4.986 -1.093) 5.105 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 12.841 2.464 3.133) 13.445 3.275 ( 3.807 3.798 4.565) 7.054 3.748 ( -1.253 3.402 -3.742) 5.210 4.125 ( 7.139 2.804 -4.075) 8.685 5.390 ( -2.417 6.663 2.459) 7.502 5.924 ( -5.337 6.011 -1.286) 8.141 6.545 ( -2.635 -5.116 3.951) 6.981 7.146 ( 11.825 -10.194 6.494) 16.909 7.412 ( -0.782 -14.356 -3.087) 14.706 10.237 ( -1.837 0.406 -0.761) 2.029 10.821 ( -30.435 0.300 -1.066) 30.455 11.787 ( 1.818 5.269 -10.327) 11.735 12.890 ( -2.081 3.791 -4.403) 6.171 13.029 ( 20.615 3.708 0.974) 20.969 14.489 ( 1.067 -4.170 -0.602) 4.346 15.599 ( -2.367 1.065 0.032) 2.596 18.444 ( -0.702 -11.141 9.479) 14.644 19.694 ( -1.747 -2.851 -0.972) 3.482 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 21.309 2.389 0.236) 21.444 3.396 ( 6.393 -0.571 5.765) 8.627 3.738 ( -2.405 2.622 -0.868) 3.662 4.307 ( 12.412 2.432 -3.863) 13.225 5.375 ( -5.137 2.190 0.492) 5.606 5.822 ( -11.081 2.789 -1.714) 11.554 6.536 ( 3.414 -1.340 4.076) 5.483 7.250 ( 1.326 -7.017 -2.647) 7.616 7.320 ( 10.119 -7.741 4.076) 13.376 10.172 ( -18.341 7.454 1.550) 19.858 10.274 ( -18.654 -6.463 -2.780) 19.937 11.806 ( -0.894 3.923 -7.216) 8.262 12.794 ( -8.366 1.680 0.015) 8.533 13.534 ( 28.879 5.403 -1.537) 29.420 14.475 ( 1.217 -3.559 2.934) 4.770 15.538 ( -5.824 0.626 -0.552) 5.884 18.358 ( -1.157 -7.605 3.899) 8.624 19.636 ( -2.366 -0.910 -0.616) 2.609 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( 14.123 2.335 -4.653) 15.052 3.561 ( 16.804 -6.122 7.185) 19.274 3.722 ( -1.891 3.858 3.129) 5.315 4.552 ( 14.547 1.762 -2.826) 14.924 5.257 ( -8.900 -1.588 -1.494) 9.163 5.594 ( -15.307 -0.852 -1.916) 15.450 6.638 ( 9.553 -4.481 0.662) 10.572 7.205 ( -0.802 3.469 -1.001) 3.699 7.442 ( 4.802 -1.920 2.042) 5.560 9.722 ( -22.342 -1.973 1.312) 22.467 10.142 ( -7.680 2.935 -1.204) 8.310 11.791 ( -1.852 2.222 -4.580) 5.417 12.678 ( -6.275 1.032 2.186) 6.725 14.060 ( 26.329 4.569 -0.970) 26.740 14.482 ( 1.309 -2.160 5.202) 5.783 15.401 ( -10.251 0.224 -1.317) 10.338 18.284 ( -1.436 -3.921 -0.702) 4.235 19.593 ( -2.073 0.366 -0.144) 2.110 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.557 ( 5.209 -0.835 -2.418) 5.803 3.654 ( 1.285 -3.233 2.311) 4.177 3.986 ( 21.017 -0.468 6.005) 21.863 4.792 ( 12.536 -1.372 -0.624) 12.627 5.024 ( -14.820 -2.593 -3.110) 15.364 5.304 ( -13.756 -1.978 -3.220) 14.265 6.740 ( 12.122 -11.702 -3.629) 17.235 7.290 ( -0.539 7.566 2.240) 7.909 7.430 ( -8.240 10.963 0.341) 13.719 9.487 ( -0.529 -5.000 -0.559) 5.059 10.009 ( -13.050 6.800 1.320) 14.774 11.755 ( -2.234 -0.187 -1.892) 2.934 12.632 ( -1.534 1.570 2.812) 3.567 14.439 ( 15.152 -13.867 6.614) 21.579 14.568 ( 6.950 13.167 -1.055) 14.926 15.196 ( -12.955 1.838 -1.710) 13.196 18.229 ( -1.523 -0.618 -3.329) 3.713 19.571 ( -1.337 0.930 0.187) 1.639 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.549 ( -1.577 -4.680 -0.440) 4.958 3.705 ( 4.676 0.193 1.267) 4.849 4.275 ( 13.856 -10.747 5.165) 18.281 4.668 ( -18.217 -8.252 0.541) 20.006 4.901 ( 1.766 0.485 -3.641) 4.075 5.188 ( 0.590 6.817 -3.881) 7.867 6.816 ( 13.525 -13.233 -5.187) 19.620 7.132 ( -19.573 5.809 3.673) 20.744 7.578 ( 2.919 15.075 0.463) 15.362 9.578 ( 15.271 -3.419 -3.144) 15.962 9.872 ( -13.343 12.032 3.304) 18.268 11.692 ( -2.795 -3.323 0.010) 4.342 12.667 ( 1.831 2.325 1.751) 3.439 14.428 ( 1.261 -20.085 5.436) 20.846 14.764 ( 0.130 6.925 -1.958) 7.198 15.117 ( 1.022 10.969 -0.136) 11.018 18.198 ( -1.357 1.837 -3.306) 4.019 19.566 ( -0.434 0.973 0.212) 1.086 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( -6.135 -8.961 0.954) 10.901 3.778 ( 1.487 1.195 -0.272) 1.927 4.262 ( -8.434 -16.422 -0.634) 18.472 4.286 ( -4.199 -8.385 3.211) 9.912 4.990 ( 3.703 8.416 -1.946) 9.398 5.302 ( 3.292 7.082 -1.616) 7.976 6.830 ( -9.443 0.235 2.683) 9.820 6.979 ( 7.270 -2.634 -2.828) 8.233 7.705 ( 0.330 2.260 1.278) 2.617 9.783 ( 0.820 6.579 -1.277) 6.752 9.950 ( 12.676 14.988 0.177) 19.630 11.591 ( -3.331 -6.536 0.060) 7.336 12.732 ( 2.213 2.014 -0.133) 2.996 14.110 ( -12.113 -23.059 0.504) 26.052 14.845 ( 4.020 5.406 0.428) 6.751 15.317 ( 5.865 10.622 0.298) 12.138 18.197 ( -0.790 3.074 -0.393) 3.199 19.576 ( 0.620 0.659 -0.074) 0.908 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( -10.726 -10.165 2.898) 15.059 3.716 ( -5.129 -7.735 -2.730) 9.674 3.970 ( -10.902 -0.405 0.787) 10.938 4.244 ( 5.351 -8.134 -1.451) 9.843 5.104 ( -1.064 8.406 1.069) 8.541 5.400 ( 0.630 5.982 0.032) 6.015 6.716 ( -8.691 9.533 6.038) 14.243 7.137 ( 16.499 -9.332 -4.415) 19.463 7.654 ( -1.747 -8.279 2.285) 8.765 9.863 ( 0.155 10.188 -1.189) 10.258 10.428 ( 19.676 20.984 -1.027) 28.784 11.458 ( -2.686 -8.470 -1.913) 9.089 12.757 ( -0.113 -1.266 -2.076) 2.434 13.640 ( -14.879 -21.603 -0.580) 26.238 14.986 ( 6.730 3.428 -2.183) 7.862 15.489 ( 3.435 7.416 0.282) 8.177 18.231 ( 0.438 2.845 5.145) 5.895 19.600 ( 1.868 0.006 -0.569) 1.953 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -0.000 -0.123 2.555) 2.558 3.287 ( -0.000 1.447 4.829) 5.042 3.785 ( 0.000 3.173 -0.778) 3.267 4.069 ( 0.000 1.996 -4.678) 5.086 5.463 ( -0.000 2.579 0.530) 2.633 6.009 ( 0.000 3.183 -2.244) 3.895 6.537 ( -0.000 -3.801 3.291) 5.027 6.978 ( -0.000 -6.598 4.787) 8.152 7.308 ( 0.000 -6.330 -1.433) 6.491 10.235 ( 0.000 -0.622 -1.298) 1.440 11.161 ( -0.000 1.158 0.348) 1.209 11.765 ( 0.000 5.363 -9.169) 10.622 12.768 ( 0.000 1.941 -3.855) 4.317 13.000 ( -0.000 1.581 2.594) 3.038 14.465 ( -0.000 -0.356 2.174) 2.203 15.626 ( -0.000 0.433 0.081) 0.440 18.377 ( -0.000 -8.548 4.757) 9.783 19.685 ( 0.000 -1.284 -0.749) 1.486 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 13.733 -1.562 0.979) 13.857 3.331 ( 2.849 -1.515 5.260) 6.171 3.802 ( -1.544 2.426 2.164) 3.599 4.134 ( 7.532 1.407 -4.739) 9.009 5.444 ( -2.630 -1.597 -1.316) 3.346 5.970 ( -5.378 0.068 -3.124) 6.220 6.507 ( -1.238 -1.877 3.089) 3.821 7.036 ( 11.075 -3.753 0.523) 11.705 7.277 ( -1.418 2.381 1.627) 3.214 10.232 ( 0.156 0.293 -1.653) 1.687 10.833 ( -32.199 0.563 0.924) 32.217 11.819 ( 1.272 4.177 -6.796) 8.077 12.920 ( -0.345 2.384 -3.235) 4.033 13.081 ( 20.889 -0.386 3.808) 21.236 14.484 ( -0.485 1.879 5.748) 6.067 15.608 ( -2.380 -0.060 -0.245) 2.393 18.312 ( -0.334 -5.412 -0.301) 5.430 19.665 ( -1.480 0.418 -0.468) 1.607 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 22.057 -3.538 -1.121) 22.367 3.391 ( 5.125 -3.995 5.200) 8.322 3.802 ( -2.072 2.247 4.920) 5.792 4.310 ( 12.988 0.643 -3.538) 13.476 5.333 ( -5.169 -5.427 -3.185) 8.143 5.800 ( -11.286 -2.950 -3.691) 12.235 6.483 ( 1.728 -4.463 -0.704) 4.837 7.264 ( 12.902 6.602 -0.737) 14.512 7.317 ( -0.505 7.273 3.332) 8.016 10.123 ( -19.642 -7.163 -2.664) 21.077 10.342 ( -17.025 8.351 3.101) 19.215 11.826 ( -1.493 2.628 -5.193) 6.009 12.826 ( -8.053 0.546 2.628) 8.488 13.575 ( 30.383 -1.039 1.759) 30.451 14.527 ( -0.855 4.653 7.800) 9.123 15.534 ( -5.903 -0.500 -0.993) 6.007 18.258 ( -0.387 -2.244 -4.928) 5.428 19.642 ( -2.309 1.733 -0.082) 2.888 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.351 ( 18.361 -6.824 -4.386) 20.073 3.467 ( 7.884 -6.411 5.106) 11.372 3.845 ( 2.673 3.428 7.900) 9.017 4.540 ( 14.223 -1.404 -0.888) 14.319 5.145 ( -7.211 -7.360 -5.111) 11.501 5.514 ( -15.020 -4.541 -4.495) 16.322 6.477 ( 5.178 -6.760 -4.306) 9.542 7.406 ( -1.025 10.478 2.020) 10.720 7.565 ( 7.330 15.606 0.282) 17.244 9.616 ( -21.221 -7.564 -1.399) 22.572 10.280 ( -8.467 9.230 3.126) 12.909 11.790 ( -2.783 0.620 -2.962) 4.111 12.722 ( -5.537 0.718 4.496) 7.168 14.019 ( 22.791 -8.173 5.579) 24.846 14.626 ( 1.835 10.512 5.652) 12.075 15.390 ( -9.464 -0.177 -1.695) 9.616 18.221 ( -0.176 0.421 -8.283) 8.296 19.621 ( -2.477 2.412 0.330) 3.473 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 5.530 -9.105 -3.979) 11.372 3.568 ( 9.296 -6.513 3.746) 11.953 4.015 ( 9.500 -1.764 7.501) 12.232 4.699 ( 5.055 -8.140 4.686) 10.667 4.930 ( -6.824 -3.544 -7.908) 11.030 5.248 ( -6.844 -0.099 -6.007) 9.107 6.502 ( 8.022 -6.956 -6.125) 12.258 7.456 ( -7.425 9.893 1.751) 12.493 7.764 ( -4.371 17.224 0.229) 17.771 9.369 ( 1.994 -3.785 -2.475) 4.942 10.224 ( -11.315 11.800 4.795) 17.037 11.720 ( -3.878 -2.166 -0.405) 4.460 12.694 ( -1.161 1.700 4.415) 4.871 14.182 ( 8.038 -17.241 8.347) 20.773 14.828 ( 3.635 12.592 2.107) 13.275 15.241 ( -6.381 3.793 -1.492) 7.572 18.202 ( 0.325 2.134 -9.648) 9.887 19.607 ( -2.197 2.527 0.623) 3.405 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( -0.539 -13.080 -2.768) 13.381 3.687 ( 8.651 -3.725 1.990) 9.627 4.070 ( 1.801 -12.038 3.576) 12.686 4.488 ( -14.635 -8.108 3.875) 17.174 4.934 ( 7.811 2.747 -4.834) 9.588 5.270 ( 5.392 4.126 -3.240) 7.523 6.577 ( 10.864 -5.619 -6.639) 13.917 7.336 ( -18.843 11.411 4.018) 22.393 7.773 ( -5.391 4.029 -2.287) 7.108 9.563 ( 16.843 5.107 -1.718) 17.684 10.203 ( -8.101 17.813 4.536) 20.087 11.609 ( -5.205 -5.054 1.406) 7.390 12.731 ( 0.966 2.003 3.202) 3.899 14.025 ( -4.877 -23.372 4.227) 24.247 14.926 ( -3.290 8.786 3.094) 9.879 15.315 ( 5.424 8.988 -0.699) 10.521 18.205 ( 1.119 2.608 -8.600) 9.056 19.600 ( -1.660 2.240 0.702) 2.875 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 0.000 -3.555 0.150) 3.559 3.298 ( -0.000 -4.245 5.746) 7.144 3.849 ( -0.000 1.687 5.052) 5.326 4.060 ( 0.000 0.852 -5.343) 5.410 5.422 ( 0.000 -5.817 -3.139) 6.610 5.987 ( 0.000 -2.965 -4.276) 5.203 6.556 ( -0.000 2.811 4.933) 5.678 6.885 ( 0.000 -1.838 -3.432) 3.893 7.364 ( -0.000 9.892 3.502) 10.493 10.227 ( 0.000 0.691 -1.953) 2.072 11.170 ( -0.000 -0.603 1.036) 1.199 11.818 ( 0.000 4.774 -4.491) 6.555 12.772 ( 0.000 1.645 -2.641) 3.112 13.024 ( -0.000 -1.711 3.771) 4.141 14.550 ( -0.000 4.344 9.812) 10.731 15.624 ( 0.000 -0.628 -0.091) 0.634 18.264 ( 0.000 -2.790 -5.251) 5.947 19.689 ( 0.000 2.058 -0.350) 2.088 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 13.561 -5.485 -1.044) 14.665 3.287 ( 2.951 -7.110 5.581) 9.509 3.871 ( -1.442 1.095 7.259) 7.482 4.117 ( 7.892 0.420 -4.353) 9.022 5.307 ( -2.428 -10.036 -4.909) 11.433 5.883 ( -5.229 -5.653 -5.097) 9.235 6.517 ( -7.121 2.172 0.941) 7.504 7.052 ( 15.658 6.537 -1.623) 17.045 7.487 ( -1.799 15.461 3.825) 16.029 10.211 ( -2.444 -1.570 -2.982) 4.163 10.866 ( -28.498 2.076 2.817) 28.712 11.854 ( -0.305 3.268 -3.979) 5.158 12.946 ( -2.430 0.767 0.792) 2.668 13.075 ( 23.667 -2.161 4.004) 24.100 14.635 ( -0.850 6.184 12.693) 14.145 15.593 ( -2.531 -1.134 -0.471) 2.813 18.221 ( 0.036 -0.220 -10.235) 10.238 19.702 ( -1.605 3.526 -0.170) 3.878 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 20.266 -8.884 -1.970) 22.215 3.301 ( 5.915 -8.873 4.116) 11.431 3.889 ( -0.570 1.168 8.793) 8.889 4.290 ( 12.775 -0.558 -1.514) 12.877 5.113 ( -3.846 -13.139 -6.636) 15.213 5.661 ( -10.586 -7.487 -5.697) 14.163 6.428 ( -4.392 1.905 -3.128) 5.719 7.423 ( 13.413 11.360 0.528) 17.585 7.658 ( 1.067 21.633 1.904) 21.742 9.941 ( -22.584 -9.029 -3.243) 24.538 10.551 ( -13.170 9.639 4.640) 16.967 11.840 ( -2.631 1.812 -2.799) 4.247 12.843 ( -6.461 -1.822 4.282) 7.963 13.553 ( 26.919 -3.038 6.345) 27.823 14.742 ( -0.179 8.898 12.054) 14.984 15.507 ( -5.754 -1.201 -1.152) 5.990 18.188 ( 0.362 1.739 -14.449) 14.558 19.703 ( -2.849 4.431 0.155) 5.271 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 16.709 -13.789 -2.739) 21.837 3.345 ( 8.582 -9.592 2.299) 13.075 3.953 ( 2.840 0.737 9.484) 9.927 4.498 ( 12.060 -3.182 2.769) 12.776 4.896 ( -2.550 -12.638 -7.988) 15.167 5.364 ( -11.473 -6.292 -6.816) 14.754 6.390 ( -0.704 2.511 -5.275) 5.885 7.644 ( -0.762 14.374 0.123) 14.395 7.970 ( 3.665 21.318 0.579) 21.638 9.451 ( -17.622 -6.449 -1.984) 18.869 10.512 ( -7.715 10.280 5.146) 13.844 11.782 ( -4.575 0.106 -0.490) 4.603 12.758 ( -3.236 -1.059 5.279) 6.282 13.886 ( 14.173 -10.493 10.851) 20.706 14.908 ( 3.287 12.265 7.544) 14.770 15.379 ( -7.376 0.452 -1.144) 7.478 18.164 ( 1.032 2.635 -17.107) 17.340 19.695 ( -3.485 4.688 0.588) 5.872 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 6.823 -17.372 -4.582) 19.218 3.435 ( 12.456 -9.761 2.178) 15.974 4.004 ( -0.415 -5.215 7.291) 8.974 4.602 ( -1.798 -5.153 8.419) 10.034 4.754 ( 5.852 -7.858 -9.821) 13.872 5.204 ( 1.715 -0.457 -5.983) 6.240 6.418 ( 2.963 3.606 -6.292) 7.834 7.722 ( -8.117 16.151 0.042) 18.076 7.992 ( -16.155 4.425 -1.315) 16.802 9.388 ( 9.844 8.228 -0.486) 12.839 10.510 ( -7.130 12.621 5.281) 15.427 11.681 ( -6.481 -1.890 2.337) 7.144 12.751 ( 0.288 0.345 5.205) 5.224 13.883 ( -1.143 -19.095 9.263) 21.254 15.099 ( -1.047 11.623 6.519) 13.367 15.319 ( 0.593 4.933 -1.231) 5.119 18.153 ( 2.086 2.260 -17.532) 17.799 19.682 ( -3.588 4.409 1.000) 5.771 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 0.000 -6.995 -1.979) 7.270 3.191 ( -0.000 -11.219 5.917) 12.684 3.925 ( -0.000 0.464 9.949) 9.960 4.030 ( 0.000 -0.075 -4.823) 4.824 5.184 ( 0.000 -14.772 -6.487) 16.134 5.839 ( 0.000 -7.930 -6.230) 10.084 6.721 ( -0.000 9.807 6.287) 11.649 6.914 ( 0.000 9.580 -7.388) 12.098 7.693 ( -0.000 19.283 4.943) 19.906 10.204 ( 0.000 -1.634 -4.096) 4.409 11.175 ( -0.000 0.501 2.597) 2.645 11.879 ( 0.000 3.452 -2.185) 4.086 12.821 ( -0.000 2.754 4.226) 5.044 12.986 ( -0.000 -3.770 2.274) 4.403 14.762 ( -0.000 6.732 17.088) 18.366 15.599 ( 0.000 -1.723 -0.204) 1.735 18.181 ( 0.000 1.815 -15.976) 16.079 19.760 ( -0.000 5.323 -0.325) 5.333 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 12.582 -9.407 -2.630) 15.928 3.116 ( 3.960 -14.214 4.954) 15.565 3.939 ( -1.309 -0.833 8.846) 8.981 4.097 ( 8.397 -0.442 -0.805) 8.448 4.977 ( -1.607 -18.234 -7.585) 19.814 5.684 ( -5.001 -9.737 -7.110) 13.052 6.645 ( -13.561 11.293 -0.437) 17.653 7.273 ( 18.725 16.784 -1.672) 25.201 7.901 ( -1.628 22.520 4.205) 22.967 10.105 ( -7.811 -6.180 -4.820) 11.065 10.965 ( -21.240 4.970 4.075) 22.191 11.888 ( -1.422 2.116 -1.833) 3.140 12.903 ( -2.372 -7.139 2.931) 8.074 13.135 ( 22.318 4.820 8.543) 24.378 14.888 ( -0.864 7.309 18.561) 19.967 15.559 ( -2.436 -1.954 -0.390) 3.147 18.142 ( 0.279 3.278 -21.342) 21.594 19.801 ( -2.028 6.635 -0.331) 6.946 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 17.507 -13.614 -2.651) 22.335 3.087 ( 8.111 -15.269 2.727) 17.503 3.952 ( 1.158 -1.965 8.598) 8.895 4.267 ( 11.964 -3.050 2.116) 12.527 4.742 ( -0.842 -17.337 -7.269) 18.818 5.433 ( -8.900 -10.142 -8.078) 15.727 6.549 ( -10.550 12.702 -2.675) 16.727 7.734 ( 11.018 19.804 -0.303) 22.665 8.134 ( 1.335 24.047 1.111) 24.110 9.738 ( -21.832 -8.508 -2.440) 23.558 10.765 ( -10.847 7.919 4.008) 14.016 11.863 ( -3.360 1.595 0.030) 3.719 12.794 ( -2.601 -6.384 3.535) 7.747 13.585 ( 18.882 -0.441 14.232) 23.649 15.016 ( 0.402 8.176 14.132) 16.332 15.483 ( -4.554 -0.380 0.591) 4.608 18.102 ( 0.831 3.593 -25.431) 25.697 19.819 ( -3.798 7.181 -0.035) 8.124 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 13.730 -18.111 -3.899) 23.059 3.109 ( 11.576 -15.582 1.690) 19.485 3.988 ( 1.298 -3.949 8.009) 9.023 4.399 ( 12.128 -12.844 -3.470) 18.002 4.626 ( 2.438 -5.312 2.656) 6.420 5.171 ( -5.345 -7.329 -9.056) 12.817 6.519 ( -6.855 13.720 -3.560) 15.745 7.987 ( -3.302 20.570 -2.039) 20.933 8.306 ( -9.848 10.170 -0.239) 14.158 9.412 ( -5.171 5.352 0.099) 7.443 10.726 ( -5.051 7.388 4.025) 9.813 11.800 ( -6.136 1.054 2.858) 6.851 12.740 ( 1.313 -4.556 4.144) 6.297 13.777 ( 1.627 -10.034 16.511) 19.389 15.182 ( 4.971 9.077 5.671) 11.801 15.421 ( -5.392 3.888 4.771) 8.183 18.060 ( 1.897 2.481 -27.234) 27.413 19.815 ( -4.887 6.948 0.510) 8.510 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 0.000 -10.762 -3.561) 11.336 2.933 ( -0.000 -18.622 4.899) 19.256 3.982 ( -0.000 -4.617 11.545) 12.434 3.988 ( 0.000 -1.230 -3.447) 3.660 4.768 ( 0.000 -20.361 -6.643) 21.417 5.596 ( 0.000 -10.892 -8.418) 13.766 7.033 ( -0.000 16.450 7.337) 18.013 7.173 ( 0.000 22.578 -9.434) 24.469 8.168 ( -0.000 24.278 5.504) 24.894 10.090 ( 0.000 -5.885 -5.862) 8.306 11.234 ( -0.000 2.911 3.150) 4.289 11.907 ( 0.000 0.550 -1.800) 1.882 12.808 ( -0.000 -9.113 3.759) 9.858 13.065 ( -0.000 9.201 11.476) 14.709 15.041 ( -0.000 6.147 23.626) 24.413 15.553 ( 0.000 -2.742 -0.166) 2.747 18.090 ( 0.000 4.575 -28.275) 28.643 19.893 ( -0.000 8.476 -0.820) 8.516 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 11.141 -13.780 -3.650) 18.092 2.798 ( 5.580 -20.698 3.276) 21.686 3.915 ( 0.387 -9.225 5.234) 10.613 4.046 ( 7.853 -7.127 -0.620) 10.623 4.565 ( -0.006 -14.993 -1.052) 15.030 5.413 ( -4.770 -10.897 -9.657) 15.322 6.961 ( -17.905 20.370 0.085) 27.121 7.680 ( 19.366 25.323 -2.422) 31.971 8.408 ( -2.764 25.087 3.747) 25.515 9.926 ( -10.044 -7.627 -3.877) 13.194 11.087 ( -16.801 4.108 2.126) 17.426 11.906 ( 0.067 0.291 -0.036) 0.301 12.727 ( 0.599 -11.815 1.316) 11.903 13.380 ( 15.609 9.884 18.517) 26.158 15.161 ( -2.373 4.393 22.048) 22.607 15.522 ( -0.462 -1.569 2.011) 2.592 18.027 ( 0.253 4.863 -34.296) 34.640 19.957 ( -2.626 9.479 -0.937) 9.881 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 14.868 -18.125 -3.487) 23.701 2.743 ( 10.684 -20.753 1.365) 23.382 3.868 ( 8.189 -15.949 1.867) 18.025 4.058 ( 5.463 -13.100 -4.509) 14.892 4.533 ( 5.746 -3.145 9.343) 11.410 5.165 ( -7.387 -9.102 -10.829) 15.959 6.883 ( -15.153 21.671 -0.558) 26.449 8.191 ( 8.319 26.496 -1.096) 27.793 8.559 ( -7.568 16.761 -1.368) 18.441 9.627 ( -13.808 -0.194 1.012) 13.847 10.896 ( -8.952 3.164 1.175) 9.567 11.904 ( -2.418 1.287 2.809) 3.924 12.634 ( 2.662 -11.440 1.403) 11.829 13.747 ( 6.422 2.776 23.450) 24.471 15.212 ( -0.067 2.828 7.080) 7.624 15.549 ( -0.711 3.490 12.199) 12.708 17.947 ( 0.875 3.461 -37.993) 38.160 19.983 ( -4.982 9.440 -0.526) 10.687 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 0.000 -15.320 -4.535) 15.977 2.530 ( 0.000 -24.640 2.670) 24.784 3.720 ( 0.000 -28.496 -1.566) 28.539 3.930 ( 0.000 -2.536 -2.132) 3.313 4.456 ( -0.000 -9.484 8.114) 12.481 5.318 ( 0.000 -8.828 -10.931) 14.051 7.459 ( -0.000 20.548 7.245) 21.788 7.655 ( 0.000 32.669 -10.246) 34.238 8.712 ( -0.000 26.312 5.424) 26.865 9.921 ( 0.000 -6.493 -4.114) 7.687 11.306 ( -0.000 2.255 0.647) 2.346 11.869 ( 0.000 -3.456 -1.051) 3.612 12.592 ( 0.000 -13.697 0.436) 13.704 13.436 ( -0.000 14.851 23.213) 27.557 15.325 ( -0.000 2.334 31.061) 31.149 15.491 ( 0.000 -3.381 0.111) 3.383 17.940 ( 0.000 5.735 -42.979) 43.360 20.079 ( -0.000 10.973 -1.569) 11.085 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 9.608 -18.823 -4.143) 21.535 2.353 ( 7.943 -25.509 0.848) 26.730 3.438 ( 7.242 -34.612 -6.072) 35.879 3.922 ( 2.617 -4.148 -0.975) 5.001 4.436 ( 3.776 -8.050 12.234) 15.123 5.165 ( -5.056 -4.678 -10.936) 12.924 7.425 ( -19.471 24.983 1.363) 31.704 8.219 ( 18.410 30.848 -4.220) 36.171 8.913 ( -9.297 22.708 1.875) 24.609 9.801 ( -6.223 -2.207 1.030) 6.682 11.130 ( -16.013 -0.229 -1.720) 16.107 11.893 ( 4.736 -2.428 1.603) 5.559 12.457 ( 1.607 -15.723 -0.470) 15.812 13.782 ( 8.737 13.631 27.442) 31.862 15.311 ( -7.234 -2.188 11.153) 13.472 15.585 ( 5.815 0.478 20.820) 21.622 17.825 ( -0.116 4.926 -49.820) 50.063 20.156 ( -3.308 11.258 -1.510) 11.831 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 -20.562 -4.694) 21.091 2.003 ( 0.000 -29.267 -0.588) 29.273 2.961 ( 0.000 -41.989 -6.590) 42.503 3.859 ( 0.000 -3.337 -1.422) 3.628 4.336 ( -0.000 -13.366 11.208) 17.443 5.157 ( 0.000 1.035 -9.295) 9.352 7.908 ( -0.000 19.303 4.614) 19.846 8.294 ( 0.000 38.752 -10.165) 40.063 9.273 ( -0.000 26.391 4.618) 26.792 9.820 ( -0.000 -1.772 1.607) 2.392 11.309 ( 0.000 -1.295 -3.694) 3.914 11.753 ( 0.000 -8.132 0.658) 8.159 12.277 ( 0.000 -17.667 -1.663) 17.745 13.963 ( -0.000 18.739 29.271) 34.756 15.425 ( 0.000 -3.400 0.505) 3.437 15.574 ( -0.000 -4.166 43.665) 43.864 17.682 ( 0.000 5.605 -61.523) 61.778 20.295 ( -0.000 11.843 -1.836) 11.985 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -0.000 -0.000 32.090) 32.090 0.709 ( -0.000 -0.000 32.090) 32.090 1.126 ( -0.000 -0.000 51.007) 51.007 3.650 ( 0.000 -0.000 -5.374) 5.374 3.650 ( 0.000 0.000 -5.374) 5.374 6.507 ( 0.000 0.000 -11.030) 11.030 8.465 ( 0.000 0.000 0.051) 0.051 8.465 ( 0.000 0.000 0.051) 0.051 10.063 ( 0.000 -0.000 -8.910) 8.910 10.063 ( 0.000 0.000 -8.910) 8.910 10.648 ( 0.000 0.000 -5.208) 5.208 11.086 ( -0.000 -0.000 7.894) 7.894 11.086 ( -0.000 0.000 7.894) 7.894 11.226 ( -0.000 -0.000 4.703) 4.703 15.304 ( 0.000 -0.000 -0.387) 0.387 15.304 ( 0.000 0.000 -0.387) 0.387 20.730 ( 0.000 0.000 -0.080) 0.080 22.473 ( -0.000 -0.000 1.060) 1.060 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 13.151 7.593 25.645) 29.803 1.001 ( 14.142 8.165 25.669) 30.423 1.709 ( 29.732 17.166 36.752) 50.293 3.627 ( 0.722 0.417 -6.790) 6.841 3.749 ( 9.128 5.270 -6.161) 12.208 5.572 ( -26.918 -15.541 12.217) 33.397 8.376 ( -5.963 -3.443 -1.571) 7.063 9.483 ( -29.513 -17.039 -14.117) 36.887 10.177 ( 3.188 1.841 -2.844) 4.652 10.316 ( -15.168 -8.757 -2.945) 17.761 10.621 ( 66.422 38.349 -71.918) 105.142 10.993 ( -3.162 -1.825 3.506) 5.062 11.410 ( 14.803 8.547 5.606) 17.989 11.822 ( 49.014 28.298 -30.109) 64.106 15.309 ( 1.536 0.887 -1.352) 2.231 15.330 ( 1.874 1.082 -0.080) 2.166 20.497 ( -32.903 -18.997 20.601) 43.219 21.109 ( -56.906 -32.855 60.906) 89.595 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 21.617 12.481 14.074) 28.656 1.455 ( 17.466 10.084 19.171) 27.826 2.566 ( 33.886 19.564 25.023) 46.445 3.628 ( 1.469 0.848 -7.703) 7.887 3.999 ( 14.080 8.129 -6.747) 17.603 5.201 ( -11.468 -6.621 1.885) 13.376 8.189 ( -9.532 -5.503 -3.077) 11.429 8.691 ( -33.555 -19.373 -9.012) 39.780 9.874 ( -20.557 -11.869 0.156) 23.738 10.176 ( -3.295 -1.902 5.318) 6.539 10.984 ( 2.250 1.299 -3.215) 4.134 11.230 ( 16.437 9.490 -38.056) 42.526 11.817 ( 18.132 10.468 2.277) 21.060 12.614 ( 28.784 16.618 -53.562) 63.036 15.357 ( 3.019 1.743 -5.655) 6.643 15.384 ( 2.771 1.600 0.231) 3.208 19.666 ( -39.226 -22.647 65.460) 79.603 20.630 ( -15.085 -8.709 13.532) 22.057 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 16.435 9.489 15.409) 24.445 2.019 ( 24.514 14.153 6.625) 29.071 3.396 ( 31.637 18.266 16.419) 40.052 3.629 ( 0.893 0.515 -7.998) 8.064 4.295 ( 12.634 7.294 -8.797) 17.036 5.018 ( -4.469 -2.580 1.606) 5.405 7.927 ( -12.108 -6.990 -3.659) 14.452 7.954 ( -28.109 -16.229 -2.290) 32.538 9.387 ( -22.111 -12.766 -0.134) 25.532 10.096 ( -5.197 -3.001 8.613) 10.498 11.051 ( 4.598 2.655 -6.082) 8.073 11.336 ( 5.063 2.923 -29.688) 30.258 12.212 ( 15.676 9.050 0.058) 18.101 12.845 ( 8.580 4.954 -36.528) 37.848 15.373 ( 0.457 0.264 -10.741) 10.754 15.452 ( 2.953 1.705 0.437) 3.438 19.198 ( -22.911 -13.228 56.262) 62.172 20.329 ( -14.041 -8.106 4.088) 16.720 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 13.785 7.959 12.834) 20.447 2.599 ( 24.553 14.176 2.102) 28.429 3.603 ( -0.851 -0.491 -7.367) 7.432 4.100 ( 25.343 14.632 3.061) 29.423 4.441 ( 3.023 1.745 -4.949) 6.056 5.059 ( 6.822 3.938 5.874) 9.826 7.423 ( -18.585 -10.730 5.752) 22.218 7.624 ( -12.920 -7.460 -3.525) 15.330 8.863 ( -23.434 -13.529 -1.487) 27.100 10.023 ( -3.402 -1.964 7.605) 8.560 11.133 ( 4.109 2.372 -5.525) 7.283 11.291 ( 0.281 0.162 -24.902) 24.904 12.510 ( 9.849 5.687 -3.630) 11.938 12.851 ( 2.689 1.552 -17.609) 17.881 15.295 ( -3.208 -1.852 -13.674) 14.167 15.518 ( 2.592 1.496 0.486) 3.032 18.953 ( -15.294 -8.830 43.848) 47.270 20.035 ( -11.781 -6.802 -0.886) 13.632 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 10.436 6.025 9.879) 15.582 3.141 ( 22.383 12.923 -0.832) 25.859 3.537 ( -2.774 -1.601 -5.022) 5.956 4.292 ( -1.220 -0.704 -19.695) 19.746 4.733 ( 17.569 10.144 15.060) 25.266 5.286 ( 9.292 5.365 6.347) 12.466 7.146 ( -8.594 -4.962 11.064) 14.862 7.328 ( -11.455 -6.613 -3.511) 13.685 8.310 ( -23.908 -13.803 -3.578) 27.837 9.999 ( -0.759 -0.438 5.204) 5.277 11.193 ( 2.548 1.471 -3.748) 4.765 11.202 ( -0.640 -0.370 -17.783) 17.799 12.579 ( -0.958 -0.553 -7.315) 7.398 12.934 ( 7.237 4.178 -2.805) 8.814 15.149 ( -4.581 -2.645 -14.098) 15.058 15.572 ( 1.933 1.116 0.398) 2.267 18.781 ( -11.934 -6.890 30.285) 33.273 19.801 ( -7.842 -4.527 -2.443) 9.379 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 5.527 3.191 4.001) 7.533 3.462 ( -2.387 -1.378 0.998) 2.931 3.599 ( 17.896 10.332 -2.971) 20.877 4.162 ( -3.800 -2.194 -15.358) 15.973 5.115 ( 11.218 6.476 9.150) 15.859 5.487 ( 5.876 3.393 7.125) 9.839 7.085 ( -0.881 -0.509 10.954) 11.001 7.089 ( -8.035 -4.639 -4.213) 10.190 7.761 ( -22.050 -12.730 -5.806) 26.114 10.020 ( 1.037 0.599 3.254) 3.467 11.162 ( 1.634 0.944 -7.900) 8.123 11.222 ( 0.970 0.560 -2.017) 2.307 12.510 ( -2.439 -1.408 -1.797) 3.340 13.084 ( 5.615 3.242 -0.947) 6.553 15.014 ( -2.398 -1.384 -12.453) 12.758 15.608 ( 1.144 0.660 0.240) 1.342 18.610 ( -10.555 -6.094 16.270) 20.329 19.663 ( -3.758 -2.169 -1.148) 4.488 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( -2.271 -1.311 -4.200) 4.951 3.478 ( 2.422 1.398 9.512) 9.915 3.909 ( 8.006 4.622 -7.051) 11.627 4.032 ( -1.020 -0.589 -10.878) 10.941 5.294 ( 1.966 1.135 5.244) 5.715 5.601 ( 1.581 0.913 8.569) 8.762 6.939 ( -3.388 -1.956 -5.556) 6.795 7.118 ( -3.958 -2.285 3.827) 5.961 7.338 ( -7.374 -4.258 -3.899) 9.365 10.059 ( 1.140 0.658 2.631) 2.942 11.228 ( 0.144 0.083 -1.062) 1.075 11.231 ( 5.279 3.048 2.223) 6.489 12.486 ( 0.569 0.329 2.812) 2.887 13.166 ( 1.748 1.009 -1.195) 2.345 14.973 ( 2.622 1.514 -9.641) 10.105 15.625 ( 0.291 0.168 0.083) 0.347 18.411 ( -10.176 -5.875 4.526) 12.592 19.616 ( -0.387 -0.224 0.598) 0.747 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -7.011 -4.048 -6.234) 10.218 3.611 ( 5.003 2.888 11.602) 12.961 3.793 ( -8.368 -4.831 -11.878) 15.312 4.149 ( 7.086 4.091 -6.159) 10.241 5.247 ( -7.120 -4.111 3.334) 8.872 5.617 ( -3.111 -1.796 9.467) 10.126 6.885 ( -8.805 -5.084 -3.833) 10.866 6.900 ( 2.040 1.178 -6.990) 7.376 7.474 ( 12.683 7.322 0.233) 14.647 10.079 ( -0.531 -0.307 3.290) 3.347 11.229 ( 0.428 0.247 -1.028) 1.141 11.405 ( 7.635 4.408 8.996) 12.596 12.570 ( 5.651 3.263 5.557) 8.571 13.153 ( -2.485 -1.435 -1.691) 3.331 15.070 ( 8.400 4.850 -7.150) 12.050 15.622 ( -0.599 -0.346 -0.036) 0.693 18.178 ( -10.330 -5.964 -2.929) 12.283 19.643 ( 2.341 1.352 1.377) 3.034 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -9.282 -5.359 -5.002) 11.827 3.496 ( -14.308 -8.261 -9.527) 19.072 3.761 ( 4.287 2.475 10.073) 11.223 4.251 ( 3.802 2.195 -8.685) 9.732 5.013 ( -13.616 -7.861 2.927) 15.993 5.529 ( -7.629 -4.404 10.444) 13.663 6.795 ( 2.481 1.433 -0.677) 2.944 6.987 ( 7.989 4.612 -7.892) 12.140 7.831 ( 18.465 10.660 -2.582) 21.477 10.052 ( -2.969 -1.714 4.197) 5.419 11.244 ( 1.273 0.735 -1.196) 1.895 11.616 ( 7.114 4.107 10.798) 13.568 12.786 ( 11.140 6.431 7.007) 14.648 13.046 ( -6.004 -3.466 -2.265) 7.293 15.289 ( 12.372 7.143 -7.343) 16.062 15.598 ( -1.484 -0.857 -0.128) 1.718 17.924 ( -10.471 -6.045 -4.750) 12.990 19.730 ( 4.790 2.765 1.368) 5.698 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -11.567 -6.678 -2.736) 13.634 3.076 ( -19.617 -11.326 -6.576) 23.587 3.865 ( 1.827 1.055 7.414) 7.708 4.186 ( -10.130 -5.848 -7.549) 13.921 4.721 ( -9.212 -5.318 -2.140) 10.850 5.354 ( -10.817 -6.245 12.801) 17.886 7.015 ( 16.217 9.363 4.670) 19.299 7.207 ( 13.560 7.829 -7.844) 17.513 8.280 ( 21.477 12.400 -4.372) 25.182 9.979 ( -4.522 -2.611 4.001) 6.578 11.275 ( 1.546 0.892 -0.558) 1.870 11.782 ( 3.892 2.247 8.556) 9.665 12.847 ( -9.573 -5.527 0.071) 11.054 13.142 ( 16.694 9.638 3.731) 19.634 15.544 ( 12.188 7.037 -14.040) 19.880 15.554 ( -2.274 -1.313 -0.228) 2.635 17.684 ( -9.533 -5.504 2.503) 11.288 19.871 ( 7.167 4.138 1.129) 8.353 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -14.542 -8.396 0.373) 16.796 2.566 ( -23.223 -13.408 -3.308) 27.019 3.703 ( -28.606 -16.516 0.485) 33.035 3.895 ( -0.974 -0.562 4.379) 4.521 4.573 ( -4.791 -2.766 -12.700) 13.853 5.179 ( -7.263 -4.193 14.758) 16.975 7.535 ( 17.013 9.822 -6.739) 20.768 7.550 ( 27.532 15.895 9.064) 33.058 8.769 ( 22.649 13.076 -4.983) 26.623 9.887 ( -4.135 -2.387 2.052) 5.197 11.303 ( 0.689 0.398 1.197) 1.437 11.840 ( -1.126 -0.650 4.152) 4.351 12.592 ( -12.605 -7.278 0.439) 14.562 13.574 ( 19.980 11.535 -2.885) 23.251 15.494 ( -2.827 -1.632 -0.360) 3.284 15.687 ( 6.114 3.530 -30.794) 31.593 17.549 ( -5.365 -3.097 25.077) 25.831 20.064 ( 9.258 5.345 1.141) 10.751 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -0.000 14.206 25.805) 29.457 1.119 ( -0.000 18.571 25.500) 31.545 1.791 ( -0.000 26.579 38.050) 46.414 3.653 ( 0.000 3.532 -6.227) 7.159 3.675 ( 0.000 7.987 -7.707) 11.099 5.632 ( -0.000 -29.325 8.859) 30.634 8.426 ( 0.000 -6.599 -0.489) 6.617 9.793 ( 0.000 -20.219 -7.538) 21.578 9.816 ( 0.000 -6.735 -7.986) 10.446 10.212 ( 0.000 -0.613 -15.241) 15.254 10.415 ( 0.000 67.384 -61.977) 91.552 11.279 ( -0.000 5.343 7.032) 8.832 11.411 ( 0.000 26.457 -5.829) 27.091 11.555 ( 0.000 27.863 -4.940) 28.297 15.307 ( -0.000 -0.435 0.131) 0.455 15.310 ( 0.000 1.406 -0.540) 1.506 20.539 ( -0.000 -26.662 9.829) 28.416 21.308 ( -0.000 -70.159 55.392) 89.390 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 7.411 14.867 21.063) 26.826 1.494 ( 8.673 21.550 19.543) 30.357 2.394 ( 21.398 26.290 26.836) 43.234 3.636 ( -1.757 5.409 -7.444) 9.367 3.852 ( 10.059 9.634 -6.502) 15.371 5.333 ( -10.503 -10.484 2.432) 15.038 8.210 ( -10.309 -14.131 -3.198) 17.782 9.221 ( -34.395 -4.748 -4.586) 35.023 9.784 ( 4.224 -27.340 0.830) 27.676 10.019 ( 6.320 -16.460 -8.648) 19.638 10.992 ( 0.239 22.069 -23.333) 32.117 11.161 ( 0.274 20.347 -23.305) 30.939 11.751 ( 7.446 19.202 2.712) 20.773 12.157 ( 29.693 27.655 -36.659) 54.684 15.315 ( 1.946 -0.428 0.336) 2.020 15.344 ( 2.055 1.155 -1.545) 2.819 20.071 ( -20.309 -40.471 42.680) 62.225 20.819 ( -13.696 -23.578 27.623) 38.814 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 15.363 13.609 14.583) 25.177 1.945 ( 11.489 21.602 13.948) 28.164 3.133 ( 26.740 20.845 14.981) 37.068 3.646 ( -1.124 6.847 -6.826) 9.734 4.127 ( 12.557 8.821 -5.141) 16.184 5.113 ( -8.168 -1.658 -0.214) 8.338 7.810 ( -11.576 -24.244 -3.471) 27.089 8.616 ( -35.611 8.234 -2.137) 36.613 9.449 ( -8.512 -27.495 2.731) 28.911 10.004 ( 9.292 -16.264 -4.147) 19.185 10.921 ( -4.062 0.294 -1.647) 4.393 11.354 ( 2.127 19.173 -33.215) 38.410 12.092 ( 11.034 14.478 1.808) 18.293 12.621 ( 15.272 15.821 -36.624) 42.719 15.349 ( 0.440 1.456 -3.629) 3.935 15.382 ( 4.134 -2.248 -0.686) 4.755 19.560 ( -18.564 -26.866 49.545) 59.339 20.484 ( -13.184 -13.944 9.761) 21.530 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 14.690 13.020 11.448) 22.724 2.415 ( 15.543 19.157 7.622) 25.820 3.606 ( 2.693 4.496 -7.999) 9.563 3.852 ( 19.882 16.993 2.776) 26.301 4.371 ( 8.056 5.603 -0.265) 9.816 5.050 ( 0.006 4.249 2.468) 4.914 7.370 ( -9.080 -24.947 1.460) 26.588 8.145 ( -31.133 12.096 -0.511) 33.404 9.005 ( -14.293 -23.415 0.480) 27.437 9.965 ( 5.362 -15.146 1.975) 16.188 10.889 ( 4.663 -5.936 -6.243) 9.796 11.384 ( -3.987 13.180 -24.704) 28.282 12.396 ( 9.834 8.898 -1.339) 13.329 12.804 ( 4.818 12.517 -23.586) 27.132 15.302 ( -3.780 -0.204 -8.648) 9.440 15.444 ( 5.407 -2.779 0.780) 6.130 19.236 ( -13.946 -18.059 43.318) 48.959 20.158 ( -12.383 -10.650 1.259) 16.381 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 8.962 13.042 9.368) 18.389 2.906 ( 19.409 14.872 2.075) 24.540 3.606 ( -3.412 5.515 -5.746) 8.665 4.196 ( 6.346 4.536 -19.702) 21.190 4.620 ( 12.784 9.293 16.692) 22.987 5.200 ( 8.233 5.382 5.130) 11.094 7.053 ( -3.120 -20.158 6.259) 21.337 7.770 ( -26.318 11.450 0.313) 28.702 8.505 ( -18.568 -19.620 -1.875) 27.078 9.927 ( 5.278 -12.208 3.971) 13.880 10.897 ( 8.435 -10.796 -7.876) 15.803 11.331 ( -5.673 8.876 -16.364) 19.461 12.564 ( 3.680 4.048 -5.253) 7.585 12.936 ( 2.658 14.772 -9.325) 17.670 15.167 ( -6.018 -1.922 -10.964) 12.654 15.508 ( 4.805 -2.674 0.624) 5.534 19.001 ( -11.801 -13.861 32.971) 37.662 19.880 ( -9.014 -7.063 -2.476) 11.716 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 3.415 11.315 4.562) 12.669 3.360 ( 17.547 9.840 -0.969) 20.141 3.587 ( -4.080 8.451 -0.535) 9.400 4.153 ( -3.068 0.892 -17.742) 18.027 5.000 ( 13.382 6.512 11.929) 19.073 5.413 ( 8.539 2.393 6.641) 11.079 6.903 ( 2.409 -14.264 5.860) 15.608 7.469 ( -20.636 8.473 0.859) 22.324 7.985 ( -20.527 -14.218 -4.138) 25.311 9.940 ( 6.254 -8.127 4.247) 11.099 10.903 ( 10.649 -15.916 -6.116) 20.103 11.271 ( -4.213 6.234 -7.880) 10.895 12.604 ( -1.515 5.619 -2.819) 6.466 13.101 ( 1.435 14.428 -3.439) 14.901 15.006 ( -4.740 -2.411 -11.542) 12.708 15.558 ( 3.802 -2.709 0.394) 4.685 18.778 ( -11.052 -11.354 19.945) 25.473 19.701 ( -4.748 -3.816 -1.797) 6.351 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -3.794 8.234 -2.507) 9.406 3.569 ( -1.207 8.560 7.406) 11.383 3.763 ( 11.684 8.419 -3.754) 14.883 4.029 ( -4.344 -0.140 -14.633) 15.265 5.249 ( 6.774 0.967 7.113) 9.870 5.570 ( 5.577 -0.778 8.326) 10.052 6.868 ( 3.344 -7.228 -0.539) 7.982 7.223 ( -12.352 -2.707 2.029) 12.807 7.546 ( -17.253 -0.898 -5.384) 18.096 10.002 ( 5.547 -3.734 4.372) 7.989 10.902 ( 13.567 -22.709 -3.127) 26.637 11.277 ( -0.623 7.014 0.253) 7.046 12.633 ( -3.167 9.597 1.586) 10.230 13.223 ( -2.265 12.868 -2.282) 13.264 14.903 ( 0.384 -1.428 -10.588) 10.691 15.587 ( 2.727 -2.984 0.197) 4.047 18.539 ( -10.665 -9.315 8.092) 16.310 19.623 ( -1.228 -1.575 0.137) 2.002 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -10.225 6.575 -5.308) 13.265 3.682 ( -0.401 9.639 10.651) 14.371 3.835 ( -5.762 -1.028 -11.978) 13.331 4.034 ( 8.163 4.306 -6.502) 11.289 5.295 ( -1.763 -4.369 4.494) 6.511 5.641 ( 1.277 -3.694 9.509) 10.281 6.767 ( -4.545 -10.082 -6.752) 12.957 7.082 ( -2.787 3.371 0.398) 4.392 7.404 ( -0.727 6.658 -3.295) 7.464 10.066 ( 2.497 -1.790 4.578) 5.513 10.906 ( 16.039 -25.257 -1.665) 29.965 11.393 ( 3.945 7.321 6.830) 10.762 12.709 ( -1.940 12.571 4.781) 13.588 13.254 ( -6.903 11.090 -2.537) 13.307 14.930 ( 7.245 0.969 -9.142) 11.705 15.593 ( 1.721 -3.562 0.095) 3.957 18.288 ( -10.579 -7.616 0.514) 13.045 19.621 ( 1.521 -0.085 1.119) 1.890 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -13.849 5.965 -4.300) 15.680 3.604 ( -10.526 -5.254 -10.663) 15.878 3.826 ( -0.481 9.355 9.791) 13.550 4.171 ( 5.478 4.058 -8.166) 10.638 5.145 ( -9.597 -8.571 4.006) 13.476 5.607 ( -3.342 -6.567 10.122) 12.520 6.598 ( 2.507 -11.599 -3.911) 12.495 7.133 ( -3.195 18.078 -4.867) 18.992 7.597 ( 15.826 5.302 -2.389) 16.861 10.069 ( -0.572 -4.583 4.966) 6.782 10.950 ( 16.348 -20.875 -1.743) 26.572 11.582 ( 6.521 5.534 9.437) 12.736 12.849 ( 2.010 10.780 6.126) 12.560 13.199 ( -10.975 12.360 -2.949) 16.791 15.093 ( 12.470 3.404 -9.638) 16.124 15.576 ( 0.881 -4.316 0.226) 4.411 18.035 ( -10.529 -6.037 -1.300) 12.206 19.677 ( 4.003 1.013 1.207) 4.303 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -16.289 4.750 -2.143) 17.102 3.274 ( -16.779 -6.985 -8.086) 19.892 3.924 ( -1.096 6.154 6.979) 9.369 4.226 ( -0.902 2.947 -9.573) 10.057 4.852 ( -13.677 -10.215 3.313) 17.389 5.476 ( -7.084 -8.979 11.178) 15.993 6.644 ( 15.781 -8.239 -0.545) 17.811 7.314 ( 2.292 24.340 -4.597) 24.876 7.983 ( 21.949 7.399 -3.152) 23.376 9.998 ( -1.679 -8.744 4.724) 10.080 11.029 ( 14.029 -15.357 -1.648) 20.866 11.768 ( 5.663 3.533 7.812) 10.275 12.924 ( -3.199 -4.349 1.557) 5.619 13.220 ( -3.352 25.634 0.121) 25.852 15.313 ( 12.891 2.564 -15.410) 20.254 15.547 ( 0.826 -3.570 0.747) 3.740 17.815 ( -9.391 -4.065 5.099) 11.433 19.786 ( 6.555 1.907 0.986) 6.897 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -18.683 2.326 0.612) 18.837 2.844 ( -22.134 -7.184 -4.732) 23.747 3.938 ( -5.898 -0.736 0.888) 6.009 4.036 ( -17.676 -2.806 0.714) 17.912 4.597 ( -6.136 -3.388 -6.569) 9.606 5.290 ( -7.665 -9.612 12.826) 17.767 6.958 ( 27.445 -5.597 0.785) 28.021 7.672 ( 9.830 29.350 -0.943) 30.966 8.446 ( 23.858 7.943 -3.187) 25.347 9.889 ( -1.078 -10.354 2.922) 10.812 11.100 ( 10.825 -13.083 -0.382) 16.985 11.885 ( 1.690 2.552 3.575) 4.707 12.736 ( -11.030 -5.547 -0.358) 12.352 13.507 ( 6.785 22.811 -5.005) 24.319 15.386 ( 4.649 -6.797 -14.812) 16.948 15.582 ( 3.702 4.065 -11.133) 12.416 17.705 ( -5.049 -1.230 23.012) 23.592 19.947 ( 9.190 2.593 0.937) 9.595 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -0.000 15.711 19.393) 24.958 1.690 ( -0.000 21.284 18.985) 28.521 2.588 ( -0.000 30.683 20.741) 37.036 3.698 ( 0.000 5.601 -6.746) 8.768 3.842 ( 0.000 13.325 -5.409) 14.381 5.331 ( 0.000 -7.592 0.042) 7.592 8.170 ( 0.000 -17.317 -3.752) 17.719 9.201 ( 0.000 -32.850 0.217) 32.850 9.715 ( 0.000 -27.445 -1.299) 27.476 9.748 ( -0.000 2.952 -0.286) 2.966 11.089 ( 0.000 37.229 -52.477) 64.341 11.370 ( -0.000 0.225 2.247) 2.258 11.855 ( 0.000 24.203 -13.747) 27.835 12.050 ( 0.000 27.801 -19.286) 33.835 15.271 ( 0.000 -3.889 0.583) 3.933 15.352 ( -0.000 3.047 -0.182) 3.052 19.955 ( -0.000 -41.621 39.867) 57.635 20.774 ( -0.000 -25.069 22.970) 34.001 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 5.015 15.146 15.475) 22.227 2.048 ( 8.419 20.695 15.399) 27.135 3.056 ( 12.970 25.332 9.137) 29.890 3.724 ( -0.792 8.126 -6.032) 10.151 4.037 ( 7.450 12.412 -1.115) 14.519 5.230 ( -5.859 0.167 -1.459) 6.041 7.810 ( -14.520 -21.690 -3.545) 26.341 8.969 ( 3.185 -25.663 3.155) 26.052 9.339 ( -12.908 -21.027 2.733) 24.824 9.703 ( -2.629 -1.971 -7.388) 8.086 11.155 ( -15.727 2.609 0.283) 15.945 11.324 ( 6.564 19.805 -39.760) 44.902 12.130 ( 5.890 17.718 -1.430) 18.726 12.382 ( 16.453 19.920 -29.415) 39.150 15.258 ( 3.892 -5.997 0.733) 7.187 15.379 ( -0.767 3.138 -1.009) 3.384 19.648 ( -7.892 -32.762 41.768) 53.668 20.544 ( -7.681 -19.276 12.368) 24.156 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 12.377 14.468 9.911) 21.465 2.459 ( 9.631 20.035 12.090) 25.305 3.492 ( 12.364 11.560 -6.887) 18.274 3.831 ( 4.494 13.554 -2.669) 14.527 4.304 ( 8.811 10.723 5.875) 15.071 5.158 ( -5.169 6.399 -0.474) 8.239 7.333 ( -13.089 -22.037 0.694) 25.640 8.721 ( -16.644 -4.918 1.527) 17.422 8.924 ( -9.844 -24.497 4.705) 26.817 9.632 ( 5.639 -11.607 -7.711) 15.033 10.916 ( -10.692 -2.158 -0.642) 10.926 11.440 ( 1.527 13.345 -29.391) 32.315 12.370 ( 4.790 12.196 -0.174) 13.104 12.709 ( 12.709 15.895 -25.726) 32.802 15.280 ( 5.484 -7.587 -0.449) 9.372 15.369 ( -2.628 2.496 -1.822) 4.056 19.367 ( -8.728 -24.435 39.011) 46.852 20.243 ( -10.515 -14.654 3.627) 18.397 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 14.316 14.000 5.291) 20.711 2.851 ( 9.593 18.175 8.677) 22.308 3.649 ( 3.057 5.558 -9.689) 11.581 4.074 ( 8.159 10.397 -11.483) 17.508 4.594 ( 8.668 10.871 13.965) 19.707 5.192 ( 0.700 7.512 2.315) 7.892 6.969 ( -6.903 -18.346 5.592) 20.384 8.344 ( -26.195 4.909 0.247) 26.652 8.533 ( -10.342 -23.575 2.622) 25.876 9.613 ( 10.527 -16.326 -2.101) 19.539 10.745 ( -3.505 -6.720 -4.429) 8.779 11.444 ( -3.562 9.992 -19.702) 22.376 12.523 ( 3.604 5.801 -3.096) 7.498 12.975 ( 8.120 17.769 -15.698) 25.061 15.225 ( -4.400 -3.468 -5.282) 7.700 15.379 ( 4.463 -3.206 0.723) 5.542 19.131 ( -8.845 -19.683 32.363) 38.897 19.949 ( -9.308 -9.709 -1.798) 13.570 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 8.135 14.227 2.060) 16.518 3.214 ( 11.796 13.658 4.022) 18.489 3.708 ( 0.416 7.207 -4.613) 8.567 4.170 ( -1.131 7.446 -15.043) 16.823 4.903 ( 10.197 7.374 13.088) 18.157 5.324 ( 5.978 3.217 4.959) 8.407 6.777 ( -0.524 -12.562 7.133) 14.455 7.932 ( -25.175 0.129 -1.299) 25.209 8.133 ( -14.404 -13.389 0.301) 19.668 9.664 ( 13.076 -14.219 3.045) 19.556 10.612 ( 1.341 -13.386 -6.304) 14.857 11.401 ( -5.138 8.958 -10.893) 15.010 12.606 ( 3.049 2.608 -2.631) 4.798 13.226 ( 4.251 20.025 -8.757) 22.265 15.062 ( -7.850 -2.254 -7.062) 10.797 15.432 ( 5.855 -5.265 0.749) 7.910 18.894 ( -9.516 -16.346 21.776) 28.843 19.737 ( -5.616 -5.346 -2.382) 8.111 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( -1.372 13.336 -1.712) 13.515 3.541 ( 12.019 8.011 0.311) 14.447 3.797 ( 0.893 10.612 0.924) 10.690 4.108 ( -7.911 7.230 -12.643) 16.575 5.149 ( 8.411 0.835 8.621) 12.073 5.470 ( 7.067 -1.612 6.900) 10.007 6.743 ( 3.998 -5.397 4.117) 7.878 7.472 ( -21.603 -9.005 -1.567) 23.457 7.806 ( -14.987 -0.814 -2.834) 15.275 9.802 ( 13.721 -8.266 6.270) 17.202 10.473 ( 5.150 -21.548 -5.339) 22.789 11.390 ( -3.195 9.087 -3.075) 10.111 12.676 ( 3.419 1.685 -0.205) 3.818 13.442 ( -0.922 22.146 -4.909) 22.702 14.891 ( -5.556 -1.965 -7.856) 9.820 15.474 ( 5.225 -6.077 0.587) 8.036 18.641 ( -9.811 -12.857 10.677) 19.379 19.629 ( -2.079 -2.649 -0.583) 3.417 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( -8.552 12.335 -3.585) 15.432 3.748 ( 4.498 3.096 -1.630) 5.698 3.945 ( 3.986 6.457 -7.379) 10.584 3.994 ( -9.198 12.803 0.338) 15.768 5.254 ( 3.048 -4.975 5.656) 8.126 5.569 ( 5.073 -5.579 8.103) 11.068 6.768 ( -2.892 -2.138 -4.238) 5.558 7.105 ( -5.681 -5.828 3.465) 8.846 7.581 ( -11.218 4.283 -5.899) 13.379 9.983 ( 8.380 -2.072 7.233) 11.262 10.349 ( 12.823 -28.047 -3.474) 31.035 11.454 ( 0.423 8.355 3.051) 8.905 12.758 ( 4.151 1.121 1.757) 4.645 13.583 ( -8.136 24.005 -2.646) 25.484 14.808 ( 1.876 -1.206 -8.275) 8.571 15.493 ( 4.152 -6.813 0.601) 8.001 18.386 ( -9.758 -9.450 3.105) 13.934 19.599 ( 0.576 -1.134 0.592) 1.403 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( -14.057 12.278 -2.693) 18.858 3.685 ( -7.710 -2.120 -9.537) 12.445 3.969 ( -0.077 6.117 -0.042) 6.118 4.141 ( 1.542 13.798 0.209) 13.885 5.194 ( -4.146 -8.976 4.764) 10.975 5.580 ( 1.240 -9.360 8.606) 12.776 6.538 ( -8.756 -7.842 -3.930) 12.394 7.249 ( 10.794 11.200 1.643) 15.641 7.480 ( -2.394 5.149 -6.612) 8.716 10.001 ( 0.818 -13.635 5.150) 14.598 10.418 ( 20.306 -15.648 -1.434) 25.676 11.580 ( 3.623 5.916 6.485) 9.496 12.846 ( 4.596 -0.613 2.045) 5.068 13.623 ( -13.911 24.996 -1.319) 28.637 14.880 ( 9.992 0.711 -9.524) 13.823 15.486 ( 3.101 -7.451 1.053) 8.139 18.148 ( -9.549 -6.283 0.796) 11.458 19.625 ( 2.856 -0.218 0.814) 2.978 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( -18.225 11.094 -0.890) 21.355 3.449 ( -12.798 -3.114 -7.984) 15.402 4.020 ( -0.397 4.197 -0.459) 4.241 4.275 ( -1.114 12.548 -3.146) 12.985 4.979 ( -10.884 -10.992 5.237) 16.331 5.493 ( -2.528 -12.065 9.114) 15.330 6.402 ( 3.074 -6.189 -0.723) 6.948 7.491 ( 0.739 18.131 -5.224) 18.883 7.684 ( 19.935 7.838 -0.498) 21.426 9.862 ( 2.403 -21.322 4.061) 21.838 10.627 ( 16.362 -7.083 -2.088) 17.952 11.726 ( 5.251 2.682 6.339) 8.658 12.893 ( 2.027 -3.748 0.135) 4.263 13.631 ( -12.506 25.216 -0.989) 28.164 15.057 ( 12.656 1.532 -13.802) 18.788 15.468 ( 2.890 -6.846 2.247) 7.763 17.953 ( -8.443 -3.124 5.309) 10.451 19.698 ( 5.231 0.348 0.590) 5.276 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -21.104 7.801 1.071) 22.525 3.130 ( -18.389 -2.423 -4.779) 19.154 4.019 ( -2.975 1.690 -3.390) 4.816 4.290 ( -9.838 7.353 -2.359) 12.507 4.687 ( -11.282 -7.347 2.449) 13.685 5.333 ( -5.174 -12.743 10.192) 17.118 6.528 ( 16.821 -3.594 1.236) 17.245 7.746 ( 10.163 18.880 -2.641) 21.604 8.140 ( 20.555 11.363 -0.077) 23.487 9.712 ( 3.985 -21.373 2.409) 21.875 10.799 ( 11.565 -5.430 -2.346) 12.989 11.846 ( 4.898 0.062 2.826) 5.655 12.823 ( -4.896 -4.734 -1.672) 7.012 13.698 ( -4.991 19.970 -6.395) 21.555 15.185 ( 7.214 -1.050 -15.716) 17.324 15.493 ( 5.230 -2.242 -1.298) 5.836 17.859 ( -4.838 0.020 18.292) 18.921 19.816 ( 7.899 0.616 0.361) 7.931 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -0.000 13.094 14.672) 19.665 2.207 ( -0.000 18.780 13.976) 23.410 3.225 ( -0.000 24.184 -0.268) 24.186 3.773 ( 0.000 6.719 -6.848) 9.594 4.133 ( -0.000 16.798 5.616) 17.712 5.295 ( 0.000 4.561 -2.530) 5.216 7.739 ( 0.000 -21.813 -4.250) 22.223 8.555 ( 0.000 -33.167 4.133) 33.423 9.148 ( 0.000 -28.550 -1.546) 28.592 9.892 ( -0.000 8.441 5.377) 10.008 11.314 ( 0.000 22.616 -43.936) 49.415 11.326 ( 0.000 -4.021 -2.787) 4.893 12.167 ( 0.000 18.353 -14.987) 23.695 12.387 ( 0.000 17.561 -9.233) 19.840 15.149 ( 0.000 -8.830 0.279) 8.835 15.422 ( -0.000 3.825 0.325) 3.839 19.533 ( -0.000 -30.540 37.854) 48.637 20.453 ( -0.000 -19.706 9.200) 21.748 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 5.106 12.753 10.973) 17.582 2.519 ( 8.914 16.929 11.954) 22.560 3.452 ( 4.274 14.810 -9.408) 18.058 3.851 ( 3.924 8.382 -6.355) 11.227 4.371 ( 3.385 17.862 11.033) 21.266 5.317 ( -4.050 9.332 -2.354) 10.442 7.360 ( -13.626 -21.286 -0.618) 25.282 8.408 ( 13.570 -30.857 5.256) 34.116 8.846 ( -1.885 -27.135 -1.424) 27.237 9.823 ( -18.125 11.018 1.279) 21.249 11.103 ( -14.331 -5.295 -4.053) 15.806 11.417 ( 3.940 16.385 -33.649) 37.633 12.423 ( 8.294 14.513 -5.428) 17.575 12.555 ( 8.042 14.181 -15.266) 22.334 15.092 ( 4.565 -10.726 0.093) 11.657 15.444 ( -2.097 3.609 -0.007) 4.174 19.349 ( -3.484 -26.029 34.580) 43.422 20.241 ( -5.659 -16.612 3.671) 17.929 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 11.593 13.375 5.898) 18.657 2.893 ( 10.483 15.283 10.693) 21.396 3.584 ( 4.135 6.532 -12.254) 14.489 4.019 ( 7.312 9.415 -7.625) 14.151 4.655 ( 4.561 15.838 12.712) 20.814 5.333 ( -4.955 10.808 -0.793) 11.916 6.959 ( -10.114 -17.534 4.663) 20.771 8.320 ( 4.696 -27.047 5.716) 28.040 8.560 ( -1.787 -22.033 -1.441) 22.153 9.588 ( -18.167 8.622 -1.763) 20.186 10.797 ( -11.197 -7.583 -4.503) 14.253 11.497 ( 0.812 11.680 -22.752) 25.588 12.559 ( -0.837 8.017 -2.195) 8.354 12.881 ( 15.426 16.249 -15.655) 27.333 15.084 ( 6.790 -11.670 -0.032) 13.502 15.417 ( -4.672 3.034 -0.716) 5.617 19.151 ( -5.145 -22.593 29.627) 37.612 19.985 ( -7.585 -11.589 -1.102) 13.894 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 13.599 13.885 1.335) 19.481 3.232 ( 7.643 13.320 8.787) 17.693 3.668 ( 5.388 3.631 -9.732) 11.701 4.197 ( 4.764 10.243 -8.923) 14.395 4.909 ( 4.398 10.464 10.991) 15.800 5.356 ( -2.830 7.090 1.823) 7.849 6.720 ( -3.477 -11.564 7.466) 14.197 8.062 ( -6.859 -21.919 2.227) 23.075 8.308 ( -8.756 -12.915 -0.502) 15.611 9.433 ( -3.125 -0.301 1.542) 3.498 10.538 ( -7.165 -9.606 -6.432) 13.601 11.518 ( -2.471 9.600 -13.754) 16.954 12.592 ( -0.169 3.287 -2.314) 4.023 13.243 ( 12.009 18.546 -11.169) 24.757 15.068 ( 2.970 -9.796 -0.803) 10.268 15.355 ( -3.433 0.510 -0.783) 3.558 18.933 ( -6.719 -19.593 21.562) 29.899 19.769 ( -5.912 -6.534 -2.548) 9.173 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( 7.912 14.082 -2.050) 16.282 3.466 ( 5.561 7.838 3.506) 10.230 3.799 ( 7.296 5.805 -3.977) 10.136 4.299 ( -3.170 13.046 -7.793) 15.523 5.081 ( 3.896 2.728 8.093) 9.387 5.394 ( 1.692 0.378 4.511) 4.833 6.660 ( 2.393 -4.043 6.344) 7.894 7.686 ( -15.454 -15.500 -1.005) 21.911 8.006 ( -12.602 -8.071 -1.240) 15.016 9.493 ( 11.108 -5.351 5.506) 13.503 10.299 ( -5.488 -12.574 -6.288) 15.092 11.521 ( -3.140 8.852 -6.283) 11.300 12.619 ( 2.338 0.152 -1.227) 2.645 13.576 ( 7.954 20.733 -7.566) 23.460 14.969 ( -5.414 -3.896 -2.463) 7.110 15.324 ( 2.780 -5.567 0.174) 6.225 18.692 ( -7.804 -15.613 12.017) 21.192 19.639 ( -2.958 -3.280 -1.292) 4.602 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( -2.964 12.114 -2.474) 12.714 3.647 ( 8.409 2.934 -0.760) 8.938 3.957 ( 2.685 8.799 -6.125) 11.053 4.310 ( -8.692 16.068 -0.817) 18.286 5.157 ( 3.533 -5.068 6.001) 8.613 5.445 ( 4.501 -5.638 5.774) 9.241 6.750 ( 5.086 3.980 1.720) 6.684 7.250 ( -17.973 -10.454 0.125) 20.792 7.741 ( -8.879 -5.682 -3.681) 11.165 9.714 ( 17.797 -5.692 5.180) 19.390 10.056 ( -4.447 -15.543 -2.718) 16.394 11.551 ( -1.483 7.850 -0.577) 8.009 12.670 ( 4.642 -1.615 -0.314) 4.925 13.865 ( 2.660 23.027 -4.464) 23.606 14.820 ( -6.797 -0.674 -4.223) 8.030 15.326 ( 5.503 -9.429 1.037) 10.967 18.452 ( -8.060 -11.080 4.737) 14.498 19.585 ( -0.471 -1.618 -0.043) 1.685 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.362 ( -7.899 10.436 -0.872) 13.117 3.740 ( -0.525 -0.256 -3.568) 3.615 3.994 ( -2.654 9.483 -11.542) 15.172 4.376 ( -4.687 17.624 6.262) 19.282 5.143 ( 0.881 -9.851 5.194) 11.171 5.455 ( 3.579 -11.156 5.950) 13.140 6.699 ( -15.760 -1.618 -3.324) 16.188 7.125 ( 10.286 4.818 3.971) 12.033 7.576 ( -4.086 -0.935 -5.324) 6.776 9.802 ( 0.605 -21.571 -2.474) 21.721 10.025 ( 16.337 -1.120 5.487) 17.270 11.618 ( 0.779 5.518 3.080) 6.367 12.738 ( 5.583 -2.545 -0.376) 6.147 14.064 ( -6.892 24.728 -1.519) 25.716 14.736 ( 1.515 -0.547 -7.225) 7.402 15.328 ( 5.636 -10.553 2.017) 12.132 18.238 ( -7.814 -6.696 1.797) 10.446 19.584 ( 1.537 -0.771 0.353) 1.756 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( -13.526 9.746 1.211) 16.715 3.606 ( -10.585 0.318 -6.364) 12.355 4.027 ( 0.740 5.875 -8.017) 9.967 4.487 ( -5.012 16.197 2.969) 17.213 5.027 ( -4.607 -10.978 5.453) 13.095 5.391 ( 1.644 -14.643 6.398) 16.064 6.423 ( -10.320 -2.446 0.485) 10.617 7.439 ( 12.987 4.627 -0.459) 13.794 7.597 ( 6.488 11.849 -2.993) 13.837 9.592 ( 1.194 -22.013 1.081) 22.072 10.316 ( 16.509 -0.805 -0.038) 16.529 11.699 ( 2.556 1.961 4.141) 5.246 12.796 ( 4.480 -3.057 -1.669) 5.674 14.090 ( -14.620 20.034 -1.277) 24.834 14.826 ( 10.753 1.851 -10.516) 15.154 15.330 ( 5.176 -9.213 3.343) 11.084 18.074 ( -6.831 -2.645 4.327) 8.508 19.623 ( 3.523 -0.384 0.178) 3.548 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( -19.822 6.740 2.415) 21.076 3.384 ( -13.901 1.278 -4.320) 14.613 4.047 ( -0.784 2.849 -7.551) 8.108 4.522 ( -7.492 11.197 -1.858) 13.600 4.819 ( -9.983 -8.512 6.047) 14.446 5.285 ( -0.595 -13.159 7.696) 15.256 6.345 ( 2.655 -0.530 3.047) 4.076 7.651 ( 12.133 4.940 -1.268) 13.162 7.974 ( 16.335 13.828 -0.227) 21.403 9.432 ( 3.301 -17.864 1.610) 18.238 10.559 ( 13.224 -0.869 -3.367) 13.673 11.766 ( 3.712 -1.824 2.103) 4.640 12.806 ( 0.831 -2.801 -3.449) 4.520 13.981 ( -12.970 9.316 -6.598) 17.279 15.011 ( 9.989 5.424 -11.026) 15.836 15.359 ( 5.716 -5.750 2.663) 8.534 17.998 ( -4.142 0.796 13.129) 13.790 19.699 ( 5.816 -0.348 -0.210) 5.830 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -0.000 9.315 11.092) 14.484 2.635 ( -0.000 15.992 9.694) 18.701 3.523 ( 0.000 11.846 -11.305) 16.374 3.858 ( 0.000 6.724 -6.783) 9.551 4.584 ( -0.000 20.583 11.889) 23.770 5.449 ( 0.000 11.928 -3.042) 12.310 7.291 ( 0.000 -20.440 -1.728) 20.513 7.972 ( -0.000 -29.464 7.330) 30.362 8.574 ( 0.000 -27.978 -1.686) 28.028 10.109 ( -0.000 7.919 6.537) 10.269 11.199 ( 0.000 -4.721 -5.546) 7.283 11.404 ( 0.000 16.783 -37.146) 40.761 12.394 ( 0.000 13.616 -8.844) 16.236 12.628 ( 0.000 11.817 -4.119) 12.514 14.936 ( 0.000 -12.061 -0.463) 12.070 15.500 ( -0.000 3.552 0.570) 3.597 19.240 ( -0.000 -24.907 30.666) 39.507 20.138 ( 0.000 -15.355 1.429) 15.421 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 6.954 9.279 7.977) 14.074 2.893 ( 8.195 13.277 9.050) 18.038 3.580 ( 0.257 7.509 -11.018) 13.336 3.952 ( 5.859 6.810 -6.936) 11.350 4.831 ( 0.704 18.643 10.374) 21.346 5.527 ( -3.939 12.711 -2.602) 13.560 6.982 ( -10.140 -17.302 2.853) 20.257 7.876 ( 14.217 -26.704 7.155) 31.087 8.294 ( 0.059 -26.644 -2.225) 26.737 10.055 ( -16.532 9.597 2.853) 19.327 10.940 ( -16.400 -5.910 -6.715) 18.681 11.494 ( 3.675 13.242 -25.739) 29.178 12.636 ( 8.153 10.957 -5.383) 14.681 12.725 ( 6.043 10.928 -6.286) 13.980 14.855 ( 4.730 -12.496 -0.212) 13.363 15.513 ( -2.618 3.137 0.271) 4.095 19.085 ( -2.186 -23.114 26.046) 34.891 19.965 ( -3.945 -11.564 -1.243) 12.281 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 12.972 10.982 3.687) 17.391 3.212 ( 11.118 9.464 9.662) 17.508 3.611 ( 0.968 4.729 -9.614) 10.758 4.130 ( 9.097 7.350 -6.941) 13.600 5.031 ( -0.138 13.502 7.859) 15.623 5.542 ( -6.996 10.503 -1.328) 12.689 6.713 ( -5.711 -11.361 6.835) 14.436 7.865 ( 6.755 -22.841 6.761) 24.760 8.061 ( 5.365 -24.757 -3.176) 25.530 9.804 ( -24.065 11.381 1.004) 26.639 10.588 ( -12.168 -8.771 -5.786) 16.077 11.573 ( 0.881 10.161 -16.812) 19.663 12.670 ( -4.446 5.070 -2.174) 7.086 13.109 ( 18.506 15.168 -8.446) 25.375 14.839 ( 7.425 -12.701 0.931) 14.741 15.471 ( -5.697 2.706 -0.453) 6.324 18.897 ( -3.945 -20.712 19.586) 28.778 19.787 ( -4.849 -6.983 -2.379) 8.828 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 13.873 12.175 -0.052) 18.458 3.486 ( 5.476 6.267 7.792) 11.400 3.672 ( 7.579 2.745 -5.718) 9.883 4.341 ( 8.093 9.234 -6.392) 13.843 5.139 ( -1.872 6.666 5.248) 8.688 5.489 ( -7.807 5.298 0.703) 9.461 6.621 ( 0.696 -3.753 7.189) 8.140 7.674 ( -4.082 -18.585 1.067) 19.058 7.946 ( 3.807 -20.160 -0.236) 20.517 9.546 ( -15.043 7.115 3.503) 17.006 10.307 ( -8.895 -8.324 -6.270) 13.701 11.612 ( -0.922 8.094 -9.805) 12.747 12.627 ( -3.107 1.692 -1.053) 3.691 13.537 ( 15.318 17.625 -7.018) 24.383 14.853 ( 7.378 -11.804 2.158) 14.086 15.370 ( -7.986 1.397 -1.252) 8.203 18.686 ( -5.311 -16.919 11.856) 21.331 19.656 ( -3.460 -3.524 -1.662) 5.210 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( 7.726 11.037 -1.943) 13.612 3.569 ( 1.093 2.354 0.457) 2.635 3.899 ( 12.353 5.087 0.771) 13.382 4.520 ( 1.930 12.604 -4.708) 13.593 5.133 ( -3.410 -1.371 3.603) 5.147 5.406 ( -4.201 -1.788 2.857) 5.386 6.706 ( 6.049 4.483 4.644) 8.846 7.403 ( -9.886 -12.264 -1.153) 15.794 7.739 ( -5.421 -16.175 -0.863) 17.081 9.503 ( 3.122 1.318 4.393) 5.548 10.055 ( -9.032 -7.907 -4.213) 12.721 11.640 ( -1.178 6.523 -4.057) 7.771 12.606 ( 0.490 -0.459 -0.333) 0.750 13.926 ( 11.254 19.074 -5.173) 22.742 14.863 ( 3.300 -6.921 2.243) 7.989 15.227 ( -6.283 -3.568 -1.333) 7.347 18.475 ( -5.863 -12.061 5.258) 14.404 19.585 ( -1.514 -1.627 -0.551) 2.289 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.531 ( -3.639 6.203 -0.144) 7.193 3.667 ( 6.372 0.615 -1.592) 6.596 4.127 ( 2.781 12.841 -5.430) 14.217 4.619 ( -3.371 12.684 1.382) 13.197 5.055 ( -1.055 -7.607 3.476) 8.430 5.324 ( -0.332 -9.948 3.230) 10.464 6.917 ( 1.901 11.935 -0.857) 12.116 7.098 ( -9.590 -5.412 2.900) 11.387 7.515 ( -0.574 -14.255 -2.758) 14.531 9.626 ( 5.250 -2.572 -2.674) 6.429 9.853 ( -0.585 -7.275 3.859) 8.256 11.674 ( -0.492 4.405 0.020) 4.432 12.632 ( 3.509 -1.220 -0.532) 3.753 14.261 ( 7.459 19.186 -3.198) 20.832 14.813 ( -7.893 2.428 -1.736) 8.439 15.114 ( 4.143 -12.972 1.605) 13.712 18.292 ( -5.663 -7.073 1.799) 9.238 19.562 ( 0.191 -0.737 -0.001) 0.761 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.506 ( -5.316 3.885 1.553) 6.765 3.713 ( -1.211 0.032 -2.584) 2.854 4.168 ( -9.430 14.737 -9.900) 20.103 4.711 ( -0.567 9.109 6.114) 10.985 4.967 ( -1.615 -9.000 2.255) 9.418 5.227 ( 2.255 -13.853 3.659) 14.505 6.682 ( -19.202 0.983 1.415) 19.279 7.305 ( 10.504 9.030 0.961) 13.885 7.463 ( 11.126 -6.364 -2.684) 13.096 9.498 ( -7.370 -6.164 -1.284) 9.694 10.009 ( 16.861 -3.818 1.378) 17.343 11.704 ( 0.191 1.180 1.921) 2.263 12.688 ( 4.410 -1.039 -1.733) 4.851 14.490 ( -8.404 16.739 -0.484) 18.736 14.678 ( 1.146 0.437 -7.698) 7.796 15.128 ( 8.765 -10.237 3.990) 14.055 18.161 ( -4.767 -2.555 2.542) 5.976 19.573 ( 1.756 -0.413 -0.037) 1.804 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( -11.197 0.866 3.460) 11.751 3.609 ( -10.341 3.450 -3.529) 11.458 4.099 ( -5.825 5.586 -7.749) 11.189 4.739 ( -8.073 5.857 -2.483) 10.278 4.848 ( -0.473 -11.095 6.591) 12.914 5.186 ( 2.287 -5.437 5.331) 7.951 6.444 ( -10.754 2.492 4.524) 11.930 7.473 ( 11.042 -0.735 -1.454) 11.162 7.764 ( 17.372 3.625 0.120) 17.746 9.350 ( -4.486 -0.540 1.229) 4.683 10.269 ( 17.155 -2.891 -3.481) 17.742 11.711 ( 0.726 -2.823 1.184) 3.146 12.738 ( 3.076 -0.419 -3.554) 4.719 14.260 ( -17.368 -1.723 -5.943) 18.437 14.868 ( 10.896 7.715 -5.207) 14.330 15.215 ( 6.901 -2.885 3.313) 8.181 18.105 ( -2.768 1.007 7.960) 8.488 19.613 ( 3.501 -0.468 -0.438) 3.559 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -0.000 5.474 8.284) 9.929 2.981 ( -0.000 12.511 7.685) 14.683 3.616 ( 0.000 6.380 -8.880) 10.935 3.934 ( 0.000 5.802 -7.051) 9.131 5.041 ( -0.000 17.232 7.579) 18.825 5.680 ( 0.000 12.685 -3.106) 13.060 6.928 ( 0.000 -15.936 1.776) 16.035 7.512 ( -0.000 -22.748 9.435) 24.627 8.029 ( 0.000 -25.382 -2.098) 25.468 10.253 ( -0.000 2.339 2.854) 3.690 11.105 ( 0.000 -0.550 -3.676) 3.717 11.469 ( 0.000 13.700 -27.891) 31.074 12.578 ( 0.000 9.351 -4.183) 10.244 12.802 ( 0.000 8.239 -1.829) 8.440 14.695 ( 0.000 -11.086 -0.396) 11.093 15.565 ( -0.000 2.585 0.484) 2.630 18.964 ( -0.000 -22.256 21.723) 31.100 19.887 ( 0.000 -9.480 -1.898) 9.668 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 9.635 5.237 5.902) 12.454 3.174 ( 6.221 8.751 8.170) 13.492 3.639 ( -0.808 5.517 -6.609) 8.647 4.022 ( 6.700 5.352 -7.206) 11.201 5.206 ( -1.333 13.030 4.921) 13.992 5.748 ( -4.612 10.874 -2.974) 12.180 6.727 ( -5.815 -11.401 5.375) 13.882 7.473 ( 12.874 -19.450 8.389) 24.787 7.779 ( -0.019 -23.063 -2.793) 23.231 10.202 ( -8.744 3.608 -0.059) 9.459 10.821 ( -24.090 -1.526 -3.748) 24.428 11.574 ( 3.864 10.924 -18.922) 22.187 12.770 ( 3.252 6.579 -5.359) 9.088 12.903 ( 11.696 9.011 -0.135) 14.765 14.628 ( 3.768 -9.822 0.891) 10.558 15.568 ( -2.680 2.127 0.124) 3.423 18.806 ( -1.704 -20.206 16.345) 26.045 19.777 ( -2.533 -6.267 -2.180) 7.103 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 16.200 6.782 2.374) 17.722 3.405 ( 9.773 3.147 9.439) 13.947 3.652 ( -1.262 4.862 -4.529) 6.763 4.209 ( 11.327 5.454 -6.715) 14.253 5.280 ( -3.618 7.712 2.606) 8.908 5.710 ( -9.216 7.471 -2.464) 12.117 6.607 ( -0.801 -4.699 7.064) 8.522 7.510 ( 2.891 -17.870 2.856) 18.326 7.597 ( 9.715 -18.630 0.375) 21.014 10.014 ( -21.639 9.099 0.413) 23.478 10.394 ( -15.390 -7.047 -3.725) 17.332 11.649 ( 0.969 8.161 -12.916) 15.309 12.740 ( -6.477 3.455 -1.267) 7.450 13.344 ( 22.372 12.299 -3.223) 25.733 14.623 ( 5.871 -9.765 3.045) 11.794 15.512 ( -6.081 1.763 -0.681) 6.368 18.629 ( -2.986 -16.758 10.203) 19.845 19.673 ( -3.040 -3.266 -1.673) 4.765 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( 14.638 7.004 -1.133) 16.267 3.626 ( 3.247 4.137 6.739) 8.548 3.682 ( 9.397 -0.799 0.921) 9.476 4.454 ( 12.493 6.339 -5.653) 15.107 5.248 ( -6.844 2.208 0.551) 7.213 5.569 ( -11.914 2.701 -1.278) 12.283 6.659 ( 5.626 1.709 5.743) 8.220 7.329 ( -1.209 -14.846 -3.068) 15.207 7.611 ( 4.441 -13.296 3.269) 14.394 9.701 ( -19.695 4.990 3.638) 20.641 10.140 ( -8.526 -3.978 -5.129) 10.716 11.688 ( 0.066 5.763 -7.796) 9.695 12.656 ( -5.312 1.634 0.676) 5.599 13.829 ( 18.962 15.145 -3.259) 24.485 14.653 ( 7.574 -10.396 4.975) 13.791 15.384 ( -10.089 0.969 -1.706) 10.278 18.453 ( -3.614 -12.189 4.519) 13.493 19.600 ( -2.221 -1.266 -0.805) 2.680 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.549 ( 7.879 1.322 -1.600) 8.147 3.639 ( -2.974 4.439 0.732) 5.393 3.997 ( 19.223 2.301 5.639) 20.165 4.696 ( 8.228 8.072 -4.759) 12.470 5.093 ( -9.522 -3.750 0.054) 10.234 5.361 ( -11.174 -3.745 -0.170) 11.786 6.864 ( 12.150 4.385 3.420) 13.362 7.181 ( -2.101 -5.714 -4.076) 7.327 7.460 ( -9.444 -9.697 2.043) 13.689 9.554 ( -1.069 -0.395 3.240) 3.435 9.936 ( -11.069 -0.756 -3.124) 11.526 11.712 ( -0.156 3.362 -3.261) 4.686 12.612 ( -1.487 1.021 1.209) 2.171 14.251 ( 12.645 16.521 -2.504) 20.955 14.721 ( 10.648 -10.401 5.793) 15.972 15.171 ( -14.061 -0.499 -2.743) 14.335 18.304 ( -3.454 -7.290 0.768) 8.103 19.564 ( -1.041 -0.245 -0.175) 1.084 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.594 ( -1.510 -0.187 0.347) 1.560 3.680 ( 2.840 2.083 -0.482) 3.555 4.346 ( 11.214 8.773 0.572) 14.249 4.715 ( -8.943 -4.047 -0.951) 9.862 5.014 ( 4.608 2.490 1.040) 5.340 5.111 ( -9.357 -10.398 -0.525) 13.998 7.021 ( -5.764 -3.188 0.133) 6.588 7.159 ( -0.147 -6.767 -0.344) 6.777 7.266 ( 5.665 9.807 0.222) 11.328 9.628 ( 3.079 2.107 -0.930) 3.845 9.751 ( -3.450 -3.043 1.010) 4.710 11.720 ( -0.589 0.374 -0.272) 0.749 12.631 ( 1.686 1.370 0.252) 2.187 14.555 ( 7.209 11.575 -0.661) 13.652 14.835 ( 2.254 -16.492 1.919) 16.756 14.910 ( -5.962 8.679 -1.330) 10.613 18.202 ( -2.565 -2.836 -0.000) 3.824 19.556 ( 0.106 0.116 -0.000) 0.157 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( -4.550 -2.504 1.660) 5.452 3.722 ( -0.802 2.899 -1.738) 3.474 4.334 ( -16.713 4.536 -5.478) 18.164 4.647 ( 7.634 -17.062 4.370) 19.196 4.883 ( -4.895 -0.479 -0.322) 4.929 5.155 ( 4.118 5.754 2.131) 7.389 6.762 ( -19.133 4.631 4.670) 20.232 7.174 ( 14.583 -13.442 -4.019) 20.236 7.575 ( 11.007 10.290 0.935) 15.097 9.551 ( -10.987 10.313 1.873) 15.185 9.906 ( 18.446 -4.685 -2.906) 19.252 11.690 ( -1.381 -3.346 0.368) 3.638 12.685 ( 2.529 1.907 -1.495) 3.502 14.478 ( -16.765 -12.194 -3.594) 21.040 14.754 ( 7.903 4.554 -0.221) 9.124 15.109 ( 8.486 7.679 1.433) 11.534 18.165 ( -0.919 0.545 2.683) 2.888 19.568 ( 1.311 0.061 -0.217) 1.330 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -0.000 1.780 5.905) 6.168 3.233 ( -0.000 6.824 8.370) 10.800 3.684 ( 0.000 5.707 -4.038) 6.991 3.982 ( 0.000 4.383 -7.972) 9.098 5.347 ( -0.000 9.703 2.529) 10.027 5.876 ( 0.000 9.058 -3.672) 9.774 6.692 ( -0.000 -10.203 4.801) 11.276 7.215 ( -0.000 -14.427 9.893) 17.493 7.560 ( 0.000 -19.234 -3.146) 19.490 10.253 ( 0.000 -1.533 -1.702) 2.291 11.122 ( -0.000 2.622 -0.037) 2.623 11.548 ( 0.000 11.440 -19.218) 22.365 12.687 ( 0.000 4.730 -4.542) 6.557 12.939 ( -0.000 5.591 1.880) 5.899 14.527 ( -0.000 -5.704 2.045) 6.060 15.608 ( -0.000 1.429 0.254) 1.451 18.679 ( -0.000 -18.402 12.143) 22.047 19.736 ( 0.000 -4.499 -1.943) 4.900 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 11.900 1.040 3.992) 12.595 3.349 ( 4.044 2.589 9.069) 10.262 3.720 ( -1.265 5.683 -1.372) 5.981 4.058 ( 7.489 3.807 -8.071) 11.650 5.407 ( -2.411 5.256 0.595) 5.813 5.895 ( -5.136 6.173 -4.146) 9.037 6.601 ( -1.758 -5.976 6.370) 8.909 7.223 ( 10.384 -12.707 7.588) 18.080 7.380 ( -0.497 -13.077 -2.872) 13.398 10.218 ( -1.864 0.332 -2.868) 3.437 10.816 ( -30.663 1.317 0.183) 30.692 11.651 ( 3.072 8.843 -14.065) 16.895 12.834 ( 3.578 4.344 -5.627) 7.958 13.056 ( 14.549 4.670 3.739) 15.731 14.511 ( 1.439 -3.285 4.433) 5.702 15.598 ( -2.643 0.980 -0.156) 2.823 18.535 ( -1.167 -15.406 7.320) 17.096 19.680 ( -1.694 -2.320 -1.504) 3.243 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 19.306 1.314 0.838) 19.369 3.481 ( 7.235 -2.068 9.515) 12.131 3.741 ( -2.482 5.088 1.418) 5.836 4.248 ( 13.128 3.545 -7.009) 15.299 5.371 ( -5.210 0.844 -1.155) 5.403 5.789 ( -10.455 2.645 -4.221) 11.581 6.587 ( 3.157 -3.847 5.303) 7.272 7.221 ( -0.168 -7.078 -2.892) 7.648 7.373 ( 10.478 -7.853 5.612) 14.246 10.173 ( -8.379 6.752 -1.968) 10.939 10.257 ( -28.381 -4.670 0.236) 28.764 11.708 ( 0.482 6.269 -10.444) 12.190 12.796 ( -7.053 2.785 0.169) 7.585 13.525 ( 27.493 6.471 -0.118) 28.245 14.529 ( 1.441 -2.488 6.777) 7.362 15.529 ( -6.278 0.577 -1.107) 6.401 18.394 ( -1.720 -11.496 2.527) 11.896 19.628 ( -2.213 -0.466 -0.873) 2.424 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( 14.396 0.783 -2.745) 14.676 3.635 ( 10.639 -6.360 6.288) 13.899 3.777 ( 2.512 5.717 7.139) 9.485 4.509 ( 15.280 3.263 -5.111) 16.440 5.233 ( -8.928 -2.935 -2.930) 9.844 5.564 ( -14.413 -1.608 -3.694) 14.965 6.649 ( 8.773 -8.574 1.425) 12.349 7.189 ( -0.808 6.513 -1.965) 6.851 7.474 ( 3.912 -3.279 3.725) 6.319 9.742 ( -21.881 -4.148 2.377) 22.397 10.121 ( -7.738 6.055 -2.793) 10.215 11.729 ( -0.083 3.672 -6.365) 7.349 12.705 ( -6.110 2.112 2.534) 6.944 14.051 ( 25.342 6.896 -0.522) 26.269 14.556 ( 1.289 -2.250 8.147) 8.549 15.381 ( -10.687 0.274 -2.307) 10.937 18.273 ( -1.547 -7.255 -1.296) 7.530 19.591 ( -1.921 0.678 -0.263) 2.054 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.529 ( 5.812 -1.763 -2.520) 6.576 3.683 ( 1.287 -1.939 2.851) 3.680 4.066 ( 19.123 -0.544 8.658) 20.999 4.767 ( 11.544 2.355 -3.956) 12.429 4.993 ( -12.243 -5.292 -2.596) 13.588 5.266 ( -13.756 -3.815 -3.615) 14.726 6.705 ( 11.416 -14.131 -2.752) 18.374 7.307 ( 1.236 10.377 0.770) 10.479 7.440 ( -9.651 8.970 1.534) 13.265 9.487 ( -1.180 -7.217 0.564) 7.335 10.016 ( -12.574 9.621 0.049) 15.832 11.729 ( -0.694 0.631 -2.582) 2.747 12.663 ( -2.415 2.487 2.730) 4.413 14.483 ( 19.304 -3.947 1.360) 19.750 14.597 ( 1.030 4.844 6.358) 8.059 15.169 ( -12.936 2.400 -3.254) 13.553 18.193 ( -0.630 -3.386 -3.226) 4.719 19.572 ( -1.314 1.153 0.121) 1.752 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -0.000 -1.806 3.718) 4.134 3.366 ( -0.000 0.241 9.608) 9.611 3.788 ( -0.000 5.575 1.434) 5.756 3.993 ( 0.000 3.083 -9.047) 9.557 5.460 ( 0.000 1.267 -1.062) 1.654 5.969 ( 0.000 3.221 -5.211) 6.126 6.592 ( -0.000 -4.133 6.722) 7.891 7.029 ( -0.000 -11.667 4.744) 12.595 7.299 ( 0.000 -3.309 -0.436) 3.337 10.213 ( 0.000 -0.303 -2.744) 2.760 11.169 ( -0.000 1.198 0.996) 1.558 11.642 ( 0.000 9.670 -12.932) 16.148 12.714 ( 0.000 2.462 -5.738) 6.244 13.039 ( -0.000 1.958 4.175) 4.611 14.517 ( -0.000 1.437 7.196) 7.338 15.626 ( -0.000 0.345 0.054) 0.349 18.422 ( -0.000 -13.088 3.576) 13.568 19.674 ( 0.000 -0.804 -1.243) 1.480 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 13.110 -3.058 2.108) 13.626 3.412 ( 2.699 -2.881 9.681) 10.455 3.836 ( -1.606 4.668 4.021) 6.367 4.061 ( 8.182 2.743 -8.493) 12.108 5.423 ( -2.644 -2.956 -2.583) 4.733 5.921 ( -5.145 0.027 -5.984) 7.892 6.554 ( -2.553 -3.807 5.388) 7.074 7.045 ( 10.934 -6.127 1.210) 12.592 7.301 ( -0.954 3.999 2.688) 4.912 10.206 ( -0.099 0.596 -3.094) 3.152 10.847 ( -31.691 1.043 1.593) 31.748 11.721 ( 1.387 7.286 -10.806) 13.106 12.877 ( 5.871 4.100 -4.602) 8.512 13.129 ( 15.596 -0.455 4.737) 16.306 14.571 ( -0.798 3.938 9.963) 10.742 15.604 ( -2.761 -0.137 -0.415) 2.795 18.308 ( -0.474 -10.086 -0.533) 10.111 19.658 ( -1.382 0.816 -0.871) 1.826 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 20.549 -4.333 -0.390) 21.005 3.468 ( 5.001 -5.868 8.868) 11.751 3.863 ( -1.789 4.149 6.205) 7.676 4.256 ( 14.062 2.398 -6.170) 15.542 5.293 ( -5.268 -6.834 -4.134) 9.568 5.747 ( -10.782 -3.115 -6.130) 12.788 6.485 ( 0.214 -7.216 0.962) 7.283 7.261 ( 10.480 9.250 -0.012) 13.978 7.359 ( 1.517 4.541 4.371) 6.483 10.092 ( -17.195 -7.168 -3.264) 18.913 10.373 ( -19.026 9.331 2.673) 21.358 11.751 ( -0.569 4.985 -8.189) 9.604 12.851 ( -6.687 1.885 1.685) 7.149 13.592 ( 30.161 0.452 1.484) 30.200 14.633 ( -2.086 5.935 11.388) 13.010 15.519 ( -6.474 -0.518 -1.565) 6.681 18.208 ( -0.252 -6.850 -4.329) 8.107 19.639 ( -2.133 2.045 -0.403) 2.982 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 16.352 -6.305 -3.254) 17.824 3.534 ( 7.649 -8.406 6.724) 13.205 3.936 ( 3.433 4.097 8.672) 10.187 4.520 ( 15.602 1.042 -2.707) 15.869 5.087 ( -7.270 -8.748 -5.571) 12.665 5.458 ( -14.678 -5.268 -5.831) 16.649 6.440 ( 4.170 -8.602 -2.549) 9.894 7.427 ( -1.795 10.940 1.699) 11.216 7.573 ( 7.567 14.511 1.388) 16.424 9.603 ( -20.733 -8.826 -1.020) 22.557 10.306 ( -8.608 11.599 1.716) 14.545 11.747 ( -1.417 2.352 -4.556) 5.319 12.767 ( -5.364 1.605 3.589) 6.651 14.066 ( 24.069 -4.645 3.194) 24.721 14.712 ( -1.376 9.768 9.845) 13.937 15.365 ( -9.851 0.107 -2.885) 10.266 18.137 ( 0.680 -3.946 -7.027) 8.088 19.623 ( -2.318 2.677 0.067) 3.542 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -0.000 -5.267 1.690) 5.531 3.385 ( -0.000 -5.621 10.047) 11.513 3.913 ( -0.000 3.878 6.677) 7.722 3.980 ( 0.000 2.377 -9.104) 9.409 5.383 ( 0.000 -7.266 -4.014) 8.301 5.925 ( 0.000 -3.004 -7.211) 7.812 6.626 ( -0.000 2.393 7.749) 8.110 6.855 ( 0.000 -5.025 -1.955) 5.392 7.403 ( -0.000 11.026 3.675) 11.622 10.199 ( 0.000 0.476 -3.174) 3.210 11.183 ( -0.000 -0.219 1.440) 1.457 11.741 ( 0.000 8.165 -9.194) 12.296 12.737 ( 0.000 4.242 -3.888) 5.754 13.066 ( -0.000 -2.253 3.702) 4.333 14.678 ( -0.000 6.903 13.440) 15.110 15.623 ( 0.000 -0.700 -0.072) 0.704 18.212 ( 0.000 -8.145 -4.298) 9.210 19.683 ( 0.000 2.357 -0.810) 2.492 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 13.262 -6.925 0.493) 14.969 3.369 ( 2.434 -8.744 9.369) 13.044 3.947 ( -1.367 2.413 5.595) 6.244 4.061 ( 8.522 2.843 -4.705) 10.141 5.251 ( -2.446 -11.493 -5.319) 12.898 5.813 ( -4.943 -5.681 -7.912) 10.923 6.534 ( -9.494 0.240 2.151) 9.737 7.052 ( 17.297 5.668 1.577) 18.270 7.529 ( -2.566 15.808 3.751) 16.448 10.172 ( -2.733 -2.171 -4.170) 5.438 10.898 ( -27.470 2.978 2.886) 27.782 11.786 ( -0.422 6.145 -8.233) 10.282 12.941 ( 2.571 4.251 -1.781) 5.278 13.120 ( 20.032 -2.582 4.144) 20.618 14.792 ( -1.887 8.482 15.756) 17.993 15.587 ( -3.017 -1.160 -0.610) 3.289 18.120 ( 0.259 -6.038 -8.177) 10.168 19.698 ( -1.463 3.728 -0.618) 4.052 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 19.678 -9.527 -0.956) 21.884 3.364 ( 4.982 -10.908 7.241) 14.008 3.977 ( 0.094 1.971 6.925) 7.201 4.270 ( 13.568 2.196 -1.566) 13.834 5.043 ( -3.936 -14.444 -6.374) 16.271 5.586 ( -10.132 -7.784 -7.980) 15.064 6.404 ( -5.854 0.752 -1.206) 6.024 7.444 ( 14.378 10.158 3.258) 17.903 7.675 ( -0.797 21.599 1.236) 21.649 9.904 ( -21.203 -8.928 -3.671) 23.297 10.596 ( -13.566 10.256 3.558) 17.375 11.792 ( -1.842 4.327 -5.673) 7.369 12.880 ( -5.474 -1.019 2.434) 6.077 13.607 ( 27.784 0.415 3.560) 28.014 14.894 ( -3.025 9.690 15.497) 18.525 15.491 ( -6.373 -0.834 -1.875) 6.695 18.046 ( 1.186 -4.249 -11.385) 12.210 19.702 ( -2.592 4.587 -0.260) 5.275 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 0.000 -8.607 0.138) 8.608 3.274 ( -0.000 -12.940 9.333) 15.955 3.961 ( 0.000 1.798 -7.749) 7.955 4.036 ( -0.000 2.141 10.525) 10.740 5.115 ( 0.000 -15.923 -6.138) 17.065 5.755 ( 0.000 -7.953 -9.126) 12.105 6.801 ( -0.000 9.513 8.326) 12.642 6.846 ( 0.000 7.281 -5.122) 8.902 7.747 ( -0.000 19.752 4.844) 20.337 10.155 ( 0.000 -2.544 -4.863) 5.488 11.203 ( -0.000 1.194 2.465) 2.739 11.824 ( 0.000 5.957 -7.426) 9.521 12.854 ( -0.000 8.678 1.482) 8.803 13.005 ( -0.000 -5.394 1.369) 5.565 14.964 ( -0.000 9.509 19.523) 21.716 15.598 ( 0.000 -1.765 -0.104) 1.768 18.025 ( 0.000 -5.020 -12.407) 13.384 19.754 ( -0.000 5.381 -0.780) 5.437 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 12.591 -10.705 -0.470) 16.533 3.186 ( 3.204 -16.150 7.739) 18.192 3.980 ( 2.381 0.234 -2.263) 3.293 4.128 ( 5.552 1.118 7.529) 9.421 4.903 ( -1.774 -18.435 -5.970) 19.458 5.592 ( -4.733 -9.971 -9.893) 14.822 6.643 ( -14.978 10.681 -0.089) 18.397 7.276 ( 19.837 15.280 2.084) 25.126 7.945 ( -3.053 22.594 3.884) 23.128 10.051 ( -7.186 -6.221 -5.031) 10.754 11.004 ( -20.642 4.921 3.002) 21.432 11.844 ( -0.900 4.761 -5.923) 7.652 12.925 ( -2.351 -6.745 1.145) 7.234 13.202 ( 23.319 9.509 3.768) 25.464 15.108 ( -2.969 9.310 21.087) 23.242 15.554 ( -2.781 -1.544 -0.484) 3.218 17.935 ( 0.907 -4.254 -16.162) 16.737 19.795 ( -1.817 6.599 -0.718) 6.882 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 0.000 -12.271 -0.593) 12.285 3.000 ( -0.000 -20.651 7.080) 21.831 3.937 ( 0.000 0.553 -5.852) 5.878 4.096 ( -0.000 -7.278 9.383) 11.875 4.719 ( 0.000 -17.026 -2.199) 17.167 5.487 ( 0.000 -11.289 -11.524) 16.132 7.081 ( 0.000 20.916 -7.405) 22.188 7.118 ( -0.000 16.127 8.320) 18.147 8.227 ( -0.000 24.461 5.285) 25.025 10.030 ( 0.000 -5.825 -5.285) 7.865 11.261 ( -0.000 2.543 1.924) 3.189 11.862 ( 0.000 2.681 -6.083) 6.648 12.837 ( -0.000 -10.592 1.810) 10.746 13.147 ( -0.000 16.908 3.387) 17.244 15.317 ( -0.000 9.329 25.654) 27.297 15.553 ( 0.000 -2.704 0.035) 2.704 17.818 ( 0.000 -4.303 -20.607) 21.052 19.883 ( -0.000 8.284 -1.023) 8.347 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -0.000 -0.000 30.537) 30.537 1.047 ( -0.000 -0.000 30.537) 30.537 1.664 ( -0.000 -0.000 48.534) 48.534 3.578 ( 0.000 0.000 -7.831) 7.831 3.578 ( 0.000 0.000 -7.831) 7.831 6.362 ( 0.000 0.000 -15.654) 15.654 8.466 ( 0.000 0.000 0.076) 0.076 8.466 ( 0.000 0.000 0.076) 0.076 9.960 ( 0.000 -0.000 -9.743) 9.743 9.960 ( 0.000 0.000 -9.743) 9.743 10.590 ( 0.000 0.000 -5.442) 5.442 11.176 ( -0.000 -0.000 8.437) 8.437 11.176 ( -0.000 0.000 8.437) 8.437 11.278 ( -0.000 -0.000 4.832) 4.832 15.299 ( 0.000 -0.000 -0.498) 0.498 15.299 ( 0.000 0.000 -0.498) 0.498 20.729 ( 0.000 0.000 -0.003) 0.003 22.486 ( -0.000 -0.000 1.273) 1.273 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 8.700 5.023 28.063) 29.807 1.285 ( 10.718 6.188 26.588) 29.327 2.109 ( 22.365 12.912 36.732) 44.902 3.543 ( 0.614 0.355 -8.750) 8.778 3.677 ( 9.525 5.499 -7.019) 13.048 5.658 ( -28.729 -16.587 3.399) 33.347 8.360 ( -6.875 -3.969 -1.370) 8.056 9.296 ( -16.309 -9.416 -21.375) 28.487 9.955 ( 54.237 31.314 -42.199) 75.518 10.121 ( 7.075 4.085 -7.056) 10.795 10.312 ( -16.848 -9.727 -2.673) 19.637 11.052 ( -6.120 -3.534 7.147) 10.051 11.468 ( 14.140 8.164 5.072) 17.097 11.676 ( 27.332 15.780 -5.175) 31.981 15.299 ( 0.772 0.446 -0.701) 1.134 15.328 ( 2.048 1.182 -0.302) 2.384 20.585 ( -13.752 -7.940 3.217) 16.202 21.658 ( -52.795 -30.481 38.374) 72.035 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 16.143 9.320 20.061) 27.385 1.673 ( 14.804 8.547 20.851) 26.962 2.820 ( 28.888 16.678 21.011) 39.422 3.538 ( 1.564 0.903 -8.893) 9.075 3.938 ( 14.181 8.187 -3.839) 16.819 5.207 ( -13.134 -7.583 -1.018) 15.200 8.154 ( -10.187 -5.882 -3.301) 12.218 8.606 ( -30.580 -17.656 -6.656) 35.933 9.870 ( -20.341 -11.744 -0.907) 23.505 10.206 ( 1.110 0.641 0.039) 1.282 10.735 ( 25.972 14.995 -49.104) 57.537 10.975 ( -1.517 -0.876 1.730) 2.462 11.848 ( 16.723 9.655 3.316) 19.593 12.230 ( 22.740 13.129 -21.768) 34.108 15.316 ( 0.663 0.383 -2.376) 2.496 15.385 ( 2.941 1.698 -0.038) 3.396 20.147 ( -25.922 -14.966 25.469) 39.302 20.864 ( -28.830 -16.645 28.930) 44.104 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 14.628 8.446 16.249) 23.438 2.117 ( 20.545 11.861 11.507) 26.366 3.520 ( 27.027 15.604 4.841) 31.581 3.541 ( 1.249 0.721 -8.062) 8.190 4.250 ( 12.270 7.084 2.184) 14.336 5.019 ( -2.419 -1.397 -1.580) 3.210 7.881 ( -12.229 -7.060 -4.753) 14.900 7.955 ( -24.771 -14.302 2.613) 28.722 9.377 ( -22.389 -12.926 -1.691) 25.908 10.179 ( -3.824 -2.208 6.495) 7.854 10.962 ( 10.193 5.885 -37.760) 39.552 10.997 ( 3.301 1.906 -3.701) 5.313 12.218 ( 14.298 8.255 0.904) 16.535 12.537 ( 11.989 6.922 -21.177) 25.301 15.288 ( -2.222 -1.283 -5.619) 6.177 15.456 ( 3.064 1.769 0.180) 3.543 19.705 ( -22.103 -12.761 37.021) 44.967 20.395 ( -19.640 -11.339 8.649) 24.272 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 12.287 7.094 12.076) 18.631 2.637 ( 21.933 12.663 4.984) 25.812 3.531 ( -0.022 -0.012 -5.706) 5.706 4.000 ( 14.272 8.240 -17.226) 23.839 4.522 ( 11.244 6.492 15.626) 20.316 5.103 ( 8.716 5.032 2.343) 10.333 7.511 ( -16.148 -9.323 10.566) 21.432 7.574 ( -12.692 -7.328 -5.563) 15.676 8.836 ( -24.036 -13.877 -3.411) 27.964 10.109 ( -4.085 -2.359 7.968) 9.260 11.003 ( 4.678 2.701 -27.381) 27.909 11.075 ( 4.456 2.573 -5.004) 7.177 12.466 ( 6.863 3.962 -4.261) 8.998 12.704 ( 9.364 5.406 -9.763) 14.568 15.174 ( -5.124 -2.958 -9.025) 10.791 15.522 ( 2.625 1.516 0.280) 3.044 19.378 ( -18.651 -10.768 34.669) 40.814 20.021 ( -13.684 -7.900 -1.646) 15.886 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 8.411 4.856 6.569) 11.725 3.138 ( 20.671 11.934 0.298) 23.870 3.505 ( -0.929 -0.536 -0.600) 1.229 4.072 ( 1.056 0.610 -20.651) 20.687 4.896 ( 14.397 8.312 14.427) 22.012 5.351 ( 10.152 5.861 5.646) 13.011 7.275 ( -11.260 -6.501 -6.138) 14.378 7.279 ( -8.390 -4.844 13.276) 16.435 8.261 ( -24.644 -14.228 -5.518) 28.986 10.064 ( -2.014 -1.163 6.595) 6.993 11.018 ( 4.103 2.369 -15.513) 16.220 11.151 ( 3.403 1.965 -3.964) 5.582 12.519 ( 0.488 0.282 -3.723) 3.765 12.904 ( 9.043 5.221 -2.913) 10.840 15.012 ( -5.252 -3.032 -11.363) 12.880 15.575 ( 1.905 1.100 0.256) 2.215 19.074 ( -17.350 -10.017 23.564) 30.929 19.773 ( -7.313 -4.222 -2.643) 8.848 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 2.389 1.379 -1.222) 3.017 3.509 ( 0.758 0.437 7.634) 7.684 3.564 ( 16.592 9.580 -3.489) 19.474 3.985 ( -1.955 -1.129 -16.950) 17.100 5.214 ( 9.019 5.207 8.650) 13.538 5.570 ( 6.582 3.800 8.129) 11.128 7.028 ( -8.084 -4.668 -6.909) 11.613 7.202 ( -2.531 -1.461 10.399) 10.802 7.690 ( -22.556 -13.023 -7.212) 27.026 10.064 ( 0.093 0.054 4.709) 4.710 11.100 ( 6.213 3.587 -3.078) 7.806 11.198 ( 1.710 0.987 -2.417) 3.121 12.507 ( -0.521 -0.301 1.221) 1.361 13.069 ( 5.857 3.382 -1.953) 7.040 14.882 ( -1.871 -1.080 -11.970) 12.164 15.611 ( 1.090 0.630 0.158) 1.269 18.758 ( -15.515 -8.958 10.833) 20.936 19.656 ( -2.922 -1.687 -0.078) 3.374 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -3.539 -2.043 -5.580) 6.916 3.600 ( 3.592 2.074 12.612) 13.276 3.798 ( 1.400 0.808 -13.174) 13.273 3.930 ( 5.928 3.422 -7.612) 10.237 5.351 ( 0.729 0.421 5.199) 5.267 5.702 ( 1.963 1.133 9.787) 10.046 6.866 ( -3.607 -2.083 -7.873) 8.907 7.140 ( -12.789 -7.384 -0.004) 14.767 7.306 ( -0.355 -0.205 -1.819) 1.865 10.093 ( 0.908 0.524 3.645) 3.793 11.214 ( 0.431 0.249 -1.405) 1.491 11.278 ( 8.455 4.882 6.456) 11.705 12.527 ( 1.675 0.967 4.684) 5.067 13.149 ( 1.707 0.985 -2.079) 2.864 14.859 ( 3.750 2.165 -11.316) 12.117 15.626 ( 0.242 0.140 0.058) 0.286 18.448 ( -13.539 -7.817 2.415) 15.819 19.626 ( -0.027 -0.016 1.220) 1.221 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( -6.673 -3.853 -4.926) 9.146 3.654 ( -7.135 -4.120 -13.558) 15.865 3.740 ( 4.321 2.494 12.185) 13.167 4.074 ( 6.260 3.614 -7.573) 10.469 5.289 ( -7.456 -4.305 4.300) 9.624 5.726 ( -2.994 -1.729 10.396) 10.956 6.814 ( 1.870 1.079 -8.653) 8.918 6.854 ( -8.087 -4.669 -1.894) 9.528 7.466 ( 11.606 6.701 -1.623) 13.499 10.118 ( -0.188 -0.108 3.894) 3.900 11.216 ( 0.322 0.186 -1.392) 1.441 11.512 ( 8.754 5.054 10.631) 14.670 12.631 ( 6.019 3.475 5.672) 8.971 13.131 ( -2.524 -1.457 -2.323) 3.727 14.968 ( 9.054 5.228 -11.521) 15.558 15.622 ( -0.637 -0.368 0.002) 0.735 18.162 ( -11.720 -6.766 -0.138) 13.533 19.658 ( 2.369 1.368 1.355) 3.052 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -8.562 -4.943 -2.538) 10.207 3.385 ( -12.701 -7.333 -10.705) 18.157 3.867 ( 3.056 1.765 9.464) 10.100 4.148 ( 2.939 1.697 -10.137) 10.690 5.055 ( -14.064 -8.120 4.809) 16.937 5.646 ( -7.178 -4.144 10.854) 13.657 6.805 ( 4.320 2.494 2.402) 5.537 6.895 ( 8.064 4.655 -8.839) 12.838 7.795 ( 17.692 10.214 -4.049) 20.826 10.102 ( -2.730 -1.576 4.895) 5.823 11.227 ( 1.310 0.756 -1.950) 2.467 11.729 ( 6.519 3.764 9.868) 12.412 12.844 ( 11.056 6.383 3.391) 13.209 13.022 ( -6.190 -3.574 -1.968) 7.414 15.161 ( 11.171 6.449 -15.884) 20.462 15.597 ( -1.525 -0.881 -0.014) 1.761 17.927 ( -9.045 -5.222 5.158) 11.649 19.744 ( 4.720 2.725 1.110) 5.562 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -0.000 10.535 25.635) 27.716 1.408 ( -0.000 14.400 27.379) 30.935 2.195 ( -0.000 17.706 35.944) 40.068 3.572 ( 0.000 4.042 -8.693) 9.587 3.593 ( 0.000 8.686 -7.292) 11.341 5.678 ( 0.000 -29.451 -0.189) 29.452 8.417 ( 0.000 -7.918 -1.221) 8.011 9.540 ( 0.000 48.776 -41.963) 64.342 9.744 ( 0.000 -3.877 -5.384) 6.635 9.840 ( 0.000 8.710 -16.958) 19.064 10.249 ( 0.000 -23.634 -1.906) 23.711 11.346 ( -0.000 3.640 5.199) 6.347 11.395 ( -0.000 17.663 1.761) 17.750 11.557 ( -0.000 20.905 1.992) 20.999 15.304 ( 0.000 1.493 -0.407) 1.548 15.307 ( 0.000 0.037 -0.062) 0.073 20.591 ( -0.000 -14.904 2.479) 15.108 21.771 ( -0.000 -56.354 31.570) 64.594 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 5.650 10.939 22.660) 25.789 1.724 ( 6.604 17.788 22.594) 29.505 2.658 ( 17.860 18.906 20.955) 33.400 3.550 ( -1.972 6.342 -8.387) 10.698 3.797 ( 10.851 10.806 -2.962) 15.598 5.335 ( -11.171 -12.209 -2.207) 16.695 8.175 ( -10.913 -15.190 -3.145) 18.966 9.173 ( -36.992 2.600 -4.463) 37.351 9.737 ( 16.784 -18.685 -11.812) 27.756 9.940 ( -2.315 -20.349 -4.446) 20.957 10.518 ( 21.806 36.952 -42.322) 60.267 11.143 ( -14.481 3.718 4.443) 15.597 11.778 ( 9.692 17.009 2.183) 19.698 11.942 ( 19.632 16.886 -9.873) 27.714 15.317 ( 0.565 1.329 -0.034) 1.444 15.335 ( 2.318 -0.339 -0.382) 2.373 20.331 ( -10.779 -21.554 11.769) 26.819 21.176 ( -20.697 -37.299 33.543) 54.265 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 12.861 10.422 16.269) 23.210 2.116 ( 9.041 18.795 17.196) 27.031 3.231 ( 22.163 13.419 2.219) 26.003 3.578 ( -0.124 9.553 -6.033) 11.300 4.121 ( 13.307 10.179 5.024) 17.491 5.091 ( -7.585 -1.070 -3.975) 8.631 7.780 ( -10.625 -22.824 -1.897) 25.247 8.602 ( -35.593 10.390 -0.325) 37.080 9.470 ( -10.519 -25.410 1.102) 27.523 9.929 ( 16.820 -18.395 -10.090) 26.890 10.845 ( -1.702 15.367 -20.119) 25.374 11.042 ( 0.832 8.597 -13.740) 16.230 12.113 ( 10.310 13.538 2.014) 17.135 12.342 ( 14.796 12.886 -17.489) 26.283 15.316 ( -2.524 1.272 -2.278) 3.630 15.384 ( 4.813 -2.133 0.387) 5.279 19.959 ( -13.953 -20.703 24.824) 35.207 20.634 ( -19.898 -22.032 17.739) 34.583 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 14.787 10.017 10.052) 20.495 2.522 ( 11.190 17.901 11.539) 24.058 3.517 ( 3.966 3.746 -8.157) 9.813 3.799 ( 12.708 13.241 -10.841) 21.315 4.459 ( 11.296 8.218 14.565) 20.181 5.055 ( 2.397 5.881 -1.610) 6.552 7.394 ( -7.132 -22.971 2.744) 24.209 8.149 ( -31.090 12.403 1.645) 33.513 9.002 ( -16.372 -21.900 -1.140) 27.367 9.967 ( 11.543 -18.307 -1.906) 21.726 10.814 ( -0.053 -0.359 -8.149) 8.157 11.127 ( 0.769 12.876 -20.725) 24.411 12.381 ( 7.783 7.556 -1.350) 10.931 12.610 ( 9.397 13.175 -13.001) 20.759 15.230 ( -6.244 -0.598 -5.088) 8.077 15.451 ( 5.187 -2.334 0.520) 5.711 19.636 ( -13.724 -17.995 30.432) 37.924 20.176 ( -16.317 -13.866 2.275) 21.534 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 8.742 10.316 5.531) 14.609 2.945 ( 15.763 14.482 4.980) 21.977 3.559 ( -0.815 5.638 -2.638) 6.278 3.983 ( 3.918 5.698 -19.344) 20.543 4.797 ( 12.375 8.146 15.592) 21.509 5.244 ( 10.057 6.278 3.180) 12.275 7.115 ( -2.797 -19.152 4.555) 19.884 7.784 ( -26.036 10.945 2.644) 28.367 8.475 ( -20.410 -18.455 -3.728) 27.767 9.970 ( 7.889 -14.282 3.871) 16.769 10.807 ( 6.597 -6.730 -8.353) 12.593 11.169 ( -0.958 9.245 -12.798) 15.816 12.520 ( 3.043 4.848 -2.710) 6.333 12.852 ( 6.906 14.033 -6.487) 16.932 15.066 ( -8.148 -1.635 -7.891) 11.460 15.514 ( 4.608 -2.445 0.451) 5.236 19.317 ( -15.613 -16.957 25.326) 34.245 19.848 ( -9.153 -6.963 -3.528) 12.030 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 1.464 9.186 -0.505) 9.316 3.357 ( 15.951 10.235 0.350) 18.956 3.608 ( -1.356 8.496 4.460) 9.691 3.960 ( -2.227 2.777 -17.523) 17.880 5.120 ( 11.114 5.089 9.901) 15.730 5.485 ( 9.761 2.736 6.778) 12.195 6.942 ( -0.157 -13.291 1.002) 13.329 7.491 ( -19.401 6.355 3.328) 20.684 7.930 ( -22.043 -13.123 -6.013) 26.349 9.997 ( 6.326 -8.455 6.076) 12.183 10.838 ( 11.713 -14.336 -5.582) 19.336 11.205 ( -0.232 7.411 -4.057) 8.452 12.592 ( -0.146 6.532 0.491) 6.552 13.061 ( 3.314 13.488 -4.071) 14.473 14.890 ( -6.014 -1.511 -9.887) 11.671 15.562 ( 3.639 -2.586 0.347) 4.478 18.957 ( -15.696 -14.305 12.857) 24.826 19.686 ( -3.697 -3.323 -0.738) 5.025 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( -5.403 7.763 -4.697) 10.560 3.645 ( 6.061 6.124 2.805) 9.061 3.738 ( 3.600 10.371 2.276) 11.211 3.873 ( -1.962 1.223 -13.350) 13.549 5.320 ( 5.349 0.241 5.862) 7.940 5.664 ( 6.466 -0.797 8.851) 10.990 6.834 ( -1.116 -6.421 -5.310) 8.407 7.258 ( -10.729 -5.451 4.002) 12.682 7.479 ( -17.237 0.594 -6.917) 18.583 10.058 ( 4.508 -2.909 5.687) 7.818 10.869 ( 15.069 -22.963 -2.841) 27.612 11.302 ( 2.710 8.154 4.508) 9.703 12.663 ( -1.614 9.695 3.775) 10.529 13.192 ( -1.654 12.422 -3.355) 12.973 14.787 ( 0.052 -0.282 -10.715) 10.719 15.589 ( 2.588 -2.876 0.277) 3.879 18.605 ( -13.966 -11.048 3.958) 18.242 19.629 ( -0.669 -1.511 1.001) 1.931 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -10.361 7.367 -4.539) 13.499 3.676 ( -4.490 -1.156 -12.929) 13.736 3.821 ( -1.265 9.402 10.579) 14.210 3.965 ( 7.558 4.327 -5.995) 10.573 5.344 ( -2.223 -4.471 4.428) 6.674 5.746 ( 1.775 -3.999 9.623) 10.571 6.693 ( -3.869 -8.726 -6.956) 11.811 7.077 ( -7.676 4.612 -1.152) 9.029 7.368 ( 2.165 4.367 -3.353) 5.916 10.117 ( 1.780 -0.731 4.773) 5.146 10.887 ( 16.463 -25.614 -1.909) 30.509 11.482 ( 5.993 6.892 9.705) 13.327 12.764 ( -0.831 12.044 5.432) 13.238 13.221 ( -6.933 10.999 -3.518) 13.469 14.818 ( 7.068 1.797 -11.392) 13.527 15.595 ( 1.598 -3.362 0.323) 3.736 18.294 ( -11.971 -8.057 0.635) 14.444 19.634 ( 1.668 -0.232 1.242) 2.093 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -13.425 6.952 -2.345) 15.299 3.483 ( -9.775 -3.656 -11.318) 15.395 3.927 ( -0.379 6.499 8.091) 10.385 4.082 ( 3.760 4.716 -7.476) 9.606 5.195 ( -9.498 -8.372 5.041) 13.628 5.716 ( -2.836 -6.872 9.806) 12.306 6.561 ( 3.894 -10.322 -2.913) 11.411 7.084 ( -4.092 18.272 -4.051) 19.158 7.567 ( 15.570 5.277 -3.235) 16.755 10.123 ( -0.697 -3.965 4.852) 6.305 10.927 ( 16.411 -21.358 -2.480) 27.049 11.687 ( 6.688 4.126 9.723) 12.501 12.907 ( 2.564 8.557 4.378) 9.948 13.163 ( -11.416 13.700 -3.698) 18.213 14.960 ( 10.964 3.213 -14.608) 18.545 15.581 ( 0.743 -3.792 0.565) 3.906 18.052 ( -9.225 -4.988 4.182) 11.291 19.689 ( 4.010 0.815 0.963) 4.204 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -0.000 12.630 19.484) 23.219 1.919 ( -0.000 17.070 23.069) 28.698 2.768 ( -0.000 21.438 11.333) 24.249 3.612 ( 0.000 6.320 -9.099) 11.078 3.824 ( -0.000 16.116 2.843) 16.365 5.305 ( 0.000 -8.402 -4.781) 9.667 8.129 ( 0.000 -18.239 -3.624) 18.596 9.176 ( 0.000 -28.203 -5.114) 28.663 9.713 ( 0.000 -28.097 0.758) 28.107 9.760 ( -0.000 5.818 2.496) 6.331 10.455 ( 0.000 44.862 -56.816) 72.392 11.381 ( 0.000 -1.847 -0.183) 1.856 11.757 ( 0.000 18.488 -3.133) 18.752 11.991 ( -0.000 20.784 -0.810) 20.800 15.279 ( -0.000 -3.684 0.715) 3.753 15.351 ( -0.000 3.243 0.102) 3.245 20.225 ( -0.000 -25.538 14.096) 29.170 21.067 ( -0.000 -38.176 28.169) 47.443 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 3.632 11.750 16.331) 20.444 2.233 ( 6.958 17.450 18.634) 26.461 3.092 ( 10.769 17.558 -2.418) 20.738 3.650 ( 0.534 8.921 -7.812) 11.870 4.083 ( 7.538 15.607 9.728) 19.875 5.189 ( -5.402 0.737 -6.137) 8.209 7.778 ( -13.320 -20.920 -2.124) 24.891 8.992 ( 5.093 -24.513 0.828) 25.051 9.368 ( -10.344 -22.922 2.541) 25.275 9.615 ( -11.373 5.487 -9.221) 15.635 10.843 ( 14.477 26.849 -41.144) 51.218 11.175 ( -14.440 -2.399 0.060) 14.638 12.093 ( 13.454 15.612 -4.532) 21.102 12.220 ( 5.846 16.303 -5.274) 18.104 15.267 ( 3.784 -6.062 0.829) 7.194 15.373 ( -1.632 3.342 -0.070) 3.720 19.978 ( -5.774 -24.569 20.555) 32.549 20.712 ( -10.719 -28.955 17.855) 35.667 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 10.202 11.478 10.443) 18.571 2.603 ( 8.078 18.105 14.300) 24.444 3.388 ( 10.313 8.470 -11.387) 17.543 3.773 ( 4.587 12.315 -7.604) 15.183 4.423 ( 9.754 12.684 14.871) 21.844 5.128 ( -3.574 7.933 -4.968) 10.019 7.351 ( -11.225 -20.342 2.406) 23.358 8.743 ( -18.320 -4.307 2.683) 19.010 8.967 ( -9.947 -24.394 3.224) 26.541 9.534 ( 7.337 -8.488 -10.441) 15.326 10.908 ( -11.598 -3.284 -1.118) 12.106 11.117 ( 6.818 16.081 -28.175) 33.150 12.368 ( 3.983 10.903 -0.183) 11.609 12.511 ( 13.328 15.330 -12.271) 23.732 15.274 ( 2.691 -6.579 -0.526) 7.128 15.361 ( -1.625 1.724 -0.045) 2.369 19.715 ( -7.580 -22.120 25.230) 34.399 20.291 ( -14.005 -19.982 5.304) 24.971 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 12.776 11.670 4.098) 17.782 2.956 ( 7.150 17.335 10.279) 21.384 3.547 ( 6.198 4.858 -9.149) 12.072 3.946 ( 4.037 11.397 -11.465) 16.662 4.752 ( 9.256 9.593 14.615) 19.781 5.200 ( 3.141 8.786 -0.748) 9.361 7.030 ( -6.070 -17.061 5.426) 18.904 8.354 ( -26.289 3.377 1.760) 26.563 8.552 ( -12.921 -21.624 0.650) 25.199 9.586 ( 14.295 -14.776 -2.952) 20.770 10.701 ( -4.881 -7.989 -3.503) 9.996 11.236 ( 0.686 12.930 -17.727) 21.952 12.500 ( 3.111 5.485 -1.105) 6.402 12.842 ( 10.469 17.497 -9.435) 22.467 15.179 ( -7.086 -2.194 -3.464) 8.187 15.387 ( 4.943 -3.752 0.821) 6.260 19.439 ( -10.561 -21.967 24.614) 34.640 19.921 ( -10.540 -10.394 -3.451) 15.200 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 7.391 12.441 -1.185) 14.519 3.267 ( 8.410 13.357 5.399) 16.682 3.666 ( 4.637 5.982 -3.550) 8.360 4.025 ( -2.852 10.908 -11.169) 15.870 5.030 ( 8.981 5.574 10.004) 14.554 5.372 ( 7.922 3.616 4.109) 9.629 6.840 ( -1.619 -11.815 4.308) 12.680 7.928 ( -24.863 -2.422 0.666) 24.990 8.121 ( -16.861 -11.150 -2.484) 20.366 9.704 ( 15.487 -13.354 4.232) 20.882 10.548 ( 1.122 -13.865 -5.222) 14.859 11.297 ( -1.230 11.009 -7.690) 13.485 12.593 ( 3.657 2.564 0.169) 4.469 13.142 ( 6.348 19.634 -6.873) 21.749 14.995 ( -9.952 -0.900 -5.570) 11.440 15.440 ( 5.762 -5.246 0.825) 7.836 19.091 ( -13.432 -19.400 14.348) 27.616 19.713 ( -4.629 -4.713 -1.926) 6.881 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( -2.101 13.060 -3.749) 13.749 3.545 ( 10.013 7.592 0.458) 12.573 3.789 ( 2.956 6.366 -4.642) 8.415 4.011 ( -7.717 12.823 -3.068) 15.277 5.229 ( 7.222 0.038 6.128) 9.472 5.544 ( 8.348 -1.902 6.788) 10.926 6.764 ( 0.999 -4.884 -0.201) 4.989 7.468 ( -20.361 -10.019 0.864) 22.709 7.762 ( -16.848 -0.005 -5.157) 17.619 9.878 ( 14.329 -7.983 7.477) 18.026 10.418 ( 5.915 -21.334 -4.689) 22.629 11.377 ( 0.321 9.605 0.948) 9.658 12.684 ( 4.529 0.995 1.531) 4.883 13.391 ( 0.577 22.207 -4.501) 22.666 14.809 ( -7.307 -0.388 -7.349) 10.371 15.482 ( 5.066 -5.886 0.872) 7.815 18.728 ( -12.943 -14.533 5.254) 20.158 19.627 ( -1.325 -2.601 0.353) 2.940 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( -8.808 13.516 -3.121) 16.431 3.697 ( -0.645 2.713 -7.653) 8.146 3.838 ( 4.031 3.301 -8.744) 10.178 4.063 ( -4.385 15.918 8.704) 18.665 5.310 ( 2.497 -4.966 4.476) 7.137 5.656 ( 5.995 -6.363 7.740) 11.676 6.712 ( -5.688 -2.045 -5.785) 8.367 7.147 ( -4.442 -4.815 3.939) 7.644 7.512 ( -11.972 4.353 -6.750) 14.416 10.062 ( 7.312 -1.425 7.090) 10.284 10.311 ( 13.989 -28.417 -3.506) 31.867 11.506 ( 3.073 7.358 6.640) 10.377 12.778 ( 5.241 -0.380 1.785) 5.549 13.554 ( -7.531 24.755 -2.474) 25.993 14.713 ( 0.519 -0.054 -9.179) 9.194 15.502 ( 3.997 -6.404 1.117) 7.631 18.409 ( -11.202 -9.816 1.189) 14.942 19.607 ( 0.851 -1.363 0.879) 1.831 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -14.075 13.842 -1.079) 19.770 3.575 ( -8.219 -0.113 -10.474) 13.315 3.931 ( 4.675 1.833 -5.824) 7.690 4.185 ( -3.484 15.168 6.431) 16.839 5.245 ( -4.021 -8.596 4.717) 10.597 5.670 ( 2.040 -10.255 7.930) 13.123 6.504 ( -7.700 -5.884 -2.496) 10.007 7.260 ( 6.998 12.470 0.420) 14.306 7.413 ( -0.176 4.279 -5.683) 7.116 10.052 ( 1.319 -15.986 4.216) 16.585 10.399 ( 19.258 -13.604 -2.080) 23.670 11.660 ( 4.750 4.046 8.195) 10.300 12.859 ( 5.077 -2.665 0.285) 5.741 13.608 ( -14.014 25.946 -1.430) 29.524 14.762 ( 8.310 1.032 -11.950) 14.592 15.502 ( 3.007 -6.651 1.651) 7.484 18.168 ( -8.640 -5.375 2.907) 10.583 19.633 ( 2.908 -0.507 0.655) 3.023 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -0.000 10.855 14.470) 18.088 2.378 ( -0.000 14.463 17.344) 22.583 3.176 ( 0.000 18.624 -8.001) 20.270 3.686 ( 0.000 7.561 -9.100) 11.831 4.242 ( -0.000 18.834 13.704) 23.292 5.240 ( 0.000 5.770 -7.559) 9.509 7.703 ( 0.000 -21.338 -2.367) 21.469 8.575 ( 0.000 -29.382 -0.718) 29.391 9.146 ( 0.000 -29.513 1.231) 29.539 9.957 ( -0.000 9.423 6.640) 11.527 10.791 ( 0.000 29.481 -48.011) 56.340 11.284 ( 0.000 -5.417 -4.858) 7.276 12.074 ( 0.000 15.876 -3.135) 16.182 12.344 ( -0.000 15.836 -1.856) 15.945 15.158 ( 0.000 -9.235 1.214) 9.314 15.427 ( -0.000 3.937 0.555) 3.976 19.851 ( -0.000 -24.938 21.567) 32.971 20.570 ( -0.000 -27.749 12.075) 30.263 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 3.375 10.510 11.129) 15.674 2.662 ( 8.855 13.978 13.959) 21.648 3.337 ( 3.232 13.039 -11.151) 17.458 3.768 ( 4.292 8.720 -8.663) 13.020 4.512 ( 3.695 17.492 14.330) 22.912 5.266 ( -3.250 11.011 -7.060) 13.477 7.364 ( -11.484 -20.004 1.260) 23.100 8.448 ( 14.303 -28.383 1.645) 31.826 8.840 ( -2.188 -28.454 0.584) 28.543 9.829 ( -23.338 13.796 -0.362) 27.113 10.990 ( 2.960 7.892 -24.297) 25.718 11.108 ( -5.215 5.914 -13.017) 15.219 12.355 ( 13.233 14.500 -4.872) 20.226 12.481 ( 0.440 12.619 -2.582) 12.887 15.101 ( 4.508 -11.153 1.252) 12.095 15.446 ( -2.578 3.675 0.326) 4.501 19.661 ( -3.084 -23.975 23.246) 33.537 20.282 ( -7.207 -21.743 3.830) 23.225 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 9.334 11.623 6.055) 16.090 3.017 ( 10.094 13.907 11.925) 20.917 3.456 ( 4.219 7.094 -11.109) 13.840 3.931 ( 6.744 9.870 -8.315) 14.562 4.791 ( 4.765 13.555 12.060) 18.758 5.304 ( -3.211 12.237 -4.316) 13.367 7.014 ( -8.649 -16.346 5.205) 19.212 8.382 ( 3.715 -25.733 5.590) 26.593 8.539 ( -0.658 -23.815 -2.424) 23.947 9.565 ( -19.193 11.800 -2.396) 22.657 10.747 ( -10.874 -9.073 -4.540) 14.872 11.256 ( 4.813 14.865 -20.326) 25.637 12.541 ( -0.757 7.393 -1.290) 7.543 12.761 ( 14.714 16.577 -7.293) 23.334 15.090 ( 6.233 -11.514 1.080) 13.137 15.411 ( -5.147 3.020 -0.396) 5.981 19.431 ( -5.870 -24.303 22.385) 33.559 19.964 ( -8.794 -12.792 -3.037) 15.818 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 11.445 12.949 1.180) 17.322 3.329 ( 5.038 12.707 8.904) 16.313 3.572 ( 7.950 4.386 -8.000) 12.101 4.108 ( 4.169 11.494 -7.274) 14.227 5.014 ( 4.238 8.075 8.164) 12.240 5.364 ( -0.433 7.594 -0.088) 7.607 6.793 ( -3.665 -10.902 5.741) 12.855 8.084 ( -9.584 -21.567 1.873) 23.675 8.300 ( -8.038 -13.743 -0.919) 15.947 9.451 ( -1.078 1.660 1.573) 2.529 10.475 ( -7.455 -10.536 -5.035) 13.854 11.379 ( 1.329 11.557 -11.206) 16.153 12.579 ( 0.135 2.993 -0.374) 3.020 13.147 ( 12.440 18.888 -6.588) 23.556 15.064 ( 0.777 -8.160 -0.073) 8.198 15.348 ( -2.648 -0.223 -0.475) 2.699 19.131 ( -9.439 -22.713 14.809) 28.710 19.739 ( -5.392 -5.770 -2.966) 8.436 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 6.546 14.076 -2.340) 15.699 3.499 ( 3.617 6.033 2.729) 7.545 3.759 ( 7.245 7.637 -3.923) 11.233 4.236 ( -1.712 14.184 -3.399) 14.686 5.152 ( 3.790 1.318 4.996) 6.408 5.436 ( 3.582 0.070 3.419) 4.952 6.712 ( 0.686 -3.676 2.976) 4.779 7.680 ( -16.148 -15.388 -0.184) 22.307 7.988 ( -13.680 -8.095 -2.056) 16.028 9.550 ( 12.179 -5.335 4.610) 14.073 10.243 ( -4.632 -12.406 -3.863) 13.794 11.467 ( 0.291 9.462 -3.222) 9.999 12.615 ( 2.686 -0.263 0.197) 2.706 13.508 ( 8.847 21.020 -4.797) 23.305 14.942 ( -8.040 -1.642 -2.587) 8.604 15.329 ( 3.759 -6.256 0.757) 7.338 18.792 ( -10.536 -17.487 6.270) 21.357 19.628 ( -2.176 -3.032 -0.586) 3.777 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( -2.617 13.213 -1.913) 13.605 3.641 ( 7.075 2.148 -0.348) 7.402 3.871 ( -2.202 9.601 -9.510) 13.692 4.331 ( -3.971 16.085 4.234) 17.100 5.211 ( 3.634 -5.400 3.947) 7.612 5.502 ( 5.623 -6.593 4.729) 9.872 6.749 ( 1.552 4.137 -1.827) 4.781 7.264 ( -15.640 -9.913 2.273) 18.655 7.697 ( -10.528 -4.938 -4.314) 12.403 9.749 ( 16.576 -9.514 0.955) 19.137 10.049 ( -2.162 -12.294 1.580) 12.583 11.561 ( 1.216 7.166 2.618) 7.725 12.668 ( 4.853 -2.276 -0.145) 5.362 13.825 ( 3.830 23.217 -2.653) 23.680 14.769 ( -9.176 0.949 -5.182) 10.581 15.342 ( 5.814 -9.243 1.790) 11.065 18.487 ( -9.521 -11.667 1.622) 15.146 19.587 ( -0.095 -1.765 0.349) 1.802 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.362 ( -7.406 11.672 0.803) 13.846 3.695 ( -4.945 1.694 -4.793) 7.091 3.874 ( -0.111 8.615 -10.389) 13.497 4.446 ( -4.459 16.334 6.379) 18.094 5.194 ( 1.150 -9.676 4.218) 10.618 5.516 ( 4.644 -12.402 5.134) 14.203 6.669 ( -14.210 0.661 -2.333) 14.415 7.163 ( 8.334 3.787 2.964) 9.622 7.521 ( -4.762 0.334 -4.870) 6.819 9.772 ( 4.573 -21.532 -2.912) 22.205 10.081 ( 12.315 -2.190 4.578) 13.320 11.664 ( 2.387 3.920 5.339) 7.041 12.728 ( 5.480 -3.392 -1.518) 6.621 14.052 ( -6.149 25.129 -0.628) 25.878 14.649 ( -0.876 -0.055 -8.688) 8.732 15.354 ( 5.700 -9.783 2.629) 11.624 18.257 ( -7.339 -6.210 1.685) 9.760 19.588 ( 1.614 -1.027 0.337) 1.943 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -0.000 7.717 10.784) 13.261 2.751 ( -0.000 13.273 11.080) 17.289 3.409 ( 0.000 11.801 -9.076) 14.888 3.772 ( 0.000 7.497 -9.165) 11.841 4.714 ( -0.000 18.452 11.838) 21.923 5.392 ( 0.000 13.770 -7.323) 15.596 7.288 ( 0.000 -19.492 1.174) 19.527 8.027 ( 0.000 -26.160 2.550) 26.284 8.572 ( 0.000 -29.215 1.493) 29.253 10.177 ( -0.000 6.861 5.843) 9.012 10.994 ( 0.000 22.423 -36.060) 42.463 11.136 ( 0.000 -4.329 -6.097) 7.477 12.343 ( -0.000 12.880 -1.604) 12.980 12.599 ( -0.000 11.592 -1.810) 11.732 14.944 ( 0.000 -12.802 1.590) 12.900 15.507 ( -0.000 3.516 0.640) 3.574 19.526 ( -0.000 -24.757 22.368) 33.366 20.146 ( 0.000 -18.615 -0.113) 18.616 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 5.225 7.995 8.017) 12.470 2.998 ( 8.826 11.740 9.587) 17.540 3.479 ( -0.229 8.539 -7.103) 11.109 3.866 ( 6.082 7.404 -8.840) 13.037 4.934 ( 0.815 15.979 8.437) 18.088 5.480 ( -3.219 14.211 -5.951) 15.739 7.022 ( -8.300 -16.254 4.485) 18.793 7.939 ( 14.218 -24.428 3.790) 28.517 8.283 ( -0.973 -27.832 0.493) 27.853 10.074 ( -18.887 9.687 0.473) 21.232 10.860 ( -14.112 -4.048 -8.148) 16.790 11.232 ( 6.841 15.282 -20.863) 26.751 12.582 ( 9.828 10.787 -4.283) 15.209 12.697 ( 2.265 11.094 -0.177) 11.324 14.866 ( 4.927 -12.917 2.057) 13.977 15.516 ( -2.973 3.077 0.264) 4.287 19.333 ( -2.626 -25.283 19.821) 32.233 19.941 ( -4.412 -12.220 -3.405) 13.431 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 10.868 10.091 4.278) 15.435 3.320 ( 12.042 8.904 9.393) 17.679 3.524 ( -0.128 6.169 -5.772) 8.449 4.050 ( 9.533 7.822 -7.613) 14.492 5.102 ( -0.050 11.158 5.017) 12.234 5.514 ( -5.549 11.139 -3.681) 12.977 6.785 ( -5.200 -10.723 6.293) 13.477 7.941 ( 3.931 -23.061 7.135) 24.458 8.024 ( 6.986 -24.321 -3.600) 25.560 9.807 ( -23.152 11.974 -0.632) 26.073 10.532 ( -12.586 -8.511 -4.338) 15.801 11.399 ( 4.140 11.907 -14.390) 19.131 12.650 ( -3.488 5.003 -1.744) 6.343 13.049 ( 16.799 15.866 -2.901) 23.288 14.860 ( 7.465 -12.404 2.721) 14.730 15.465 ( -6.223 2.659 -0.618) 6.796 19.078 ( -5.534 -23.801 13.710) 28.019 19.756 ( -4.667 -6.206 -3.275) 8.427 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 12.123 11.654 1.052) 16.849 3.543 ( -0.943 4.937 1.136) 5.153 3.648 ( 12.721 5.830 2.728) 14.256 4.274 ( 8.893 9.441 -5.559) 14.111 5.181 ( -1.703 4.898 2.297) 5.671 5.487 ( -5.689 5.060 -1.068) 7.688 6.688 ( -0.253 -3.495 4.889) 6.015 7.681 ( -5.228 -20.108 0.248) 20.778 7.949 ( 2.892 -18.723 0.914) 18.967 9.578 ( -13.289 7.566 2.091) 15.434 10.249 ( -8.974 -8.427 -4.265) 13.028 11.515 ( 2.421 8.699 -7.549) 11.769 12.622 ( -2.774 1.883 -0.203) 3.359 13.484 ( 14.873 18.209 -2.897) 23.689 14.881 ( 6.686 -10.602 2.901) 12.865 15.355 ( -8.172 1.163 -1.433) 8.378 18.787 ( -7.339 -19.125 6.607) 21.524 19.639 ( -2.873 -3.021 -1.392) 4.395 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( 7.073 11.328 -0.682) 13.372 3.570 ( 0.820 1.897 -0.072) 2.068 3.910 ( 8.243 7.793 0.778) 11.370 4.483 ( 4.489 11.707 -1.878) 12.678 5.159 ( -2.353 -2.573 1.231) 3.698 5.427 ( -2.545 -2.531 0.983) 3.721 6.741 ( 4.158 4.929 1.709) 6.671 7.394 ( -8.886 -13.426 -0.433) 16.106 7.732 ( -7.256 -15.026 -0.346) 16.690 9.539 ( 1.865 1.249 1.862) 2.916 10.022 ( -6.518 -8.101 -1.676) 10.532 11.607 ( 1.753 6.179 -1.748) 6.656 12.606 ( 0.177 -0.185 0.088) 0.271 13.887 ( 11.348 19.396 -1.829) 22.547 14.882 ( 0.308 -4.210 0.955) 4.327 15.216 ( -4.537 -4.920 -0.606) 6.720 18.514 ( -7.193 -13.148 1.835) 15.098 19.581 ( -1.113 -1.561 -0.207) 1.929 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.535 ( -3.269 7.076 0.865) 7.842 3.651 ( 5.911 0.210 -1.358) 6.069 4.063 ( -3.299 15.342 -6.298) 16.910 4.648 ( 1.088 11.662 3.829) 12.323 5.083 ( -0.063 -8.854 1.748) 9.025 5.351 ( 0.758 -10.918 1.767) 11.086 6.897 ( -2.004 11.811 -2.599) 12.259 7.137 ( -5.276 -4.738 4.060) 8.171 7.485 ( -2.099 -13.620 -2.570) 14.019 9.591 ( 1.281 -2.403 -3.505) 4.439 9.897 ( 3.673 -8.138 4.002) 9.784 11.683 ( 1.471 3.365 1.878) 4.125 12.625 ( 2.713 -0.996 -0.938) 3.038 14.241 ( 7.990 19.241 -0.534) 20.841 14.778 ( -11.771 3.756 -4.483) 13.143 15.140 ( 6.035 -12.905 2.861) 14.531 18.305 ( -5.537 -7.293 0.552) 9.173 19.562 ( 0.299 -0.842 0.097) 0.898 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -0.000 4.201 8.208) 9.221 3.073 ( -0.000 12.045 8.668) 14.840 3.543 ( 0.000 7.155 -3.922) 8.159 3.842 ( 0.000 6.359 -9.834) 11.711 5.110 ( -0.000 14.894 4.932) 15.690 5.630 ( 0.000 13.922 -5.982) 15.153 6.964 ( -0.000 -15.203 4.911) 15.977 7.593 ( -0.000 -20.127 4.991) 20.737 8.021 ( 0.000 -27.085 0.907) 27.100 10.269 ( -0.000 0.087 0.065) 0.108 11.073 ( 0.000 1.388 -2.018) 2.450 11.175 ( 0.000 18.085 -25.093) 30.931 12.544 ( 0.000 8.412 -2.441) 8.759 12.795 ( -0.000 9.146 0.478) 9.158 14.710 ( -0.000 -11.416 2.872) 11.772 15.570 ( -0.000 2.475 0.433) 2.512 19.169 ( -0.000 -25.172 16.253) 29.963 19.857 ( 0.000 -9.171 -3.716) 9.895 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 8.345 4.149 6.256) 11.224 3.271 ( 6.358 8.999 8.998) 14.226 3.590 ( -0.966 6.316 -1.850) 6.652 3.930 ( 7.298 5.728 -9.595) 13.346 5.244 ( -1.292 11.257 2.101) 11.524 5.702 ( -4.133 11.483 -5.403) 13.347 6.793 ( -4.909 -10.938 6.696) 13.732 7.553 ( 12.317 -17.666 5.577) 22.246 7.760 ( -0.593 -24.759 -0.219) 24.767 10.185 ( -8.918 2.524 -3.126) 9.781 10.788 ( -24.062 0.852 -2.211) 24.178 11.379 ( 6.138 12.705 -16.062) 21.379 12.710 ( 5.401 6.277 -5.487) 9.934 12.922 ( 8.578 9.796 3.278) 13.428 14.656 ( 3.966 -9.592 4.147) 11.177 15.568 ( -3.023 2.022 -0.013) 3.637 18.956 ( -2.424 -23.277 11.297) 25.987 19.748 ( -2.437 -5.469 -3.072) 6.729 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 14.452 5.710 3.378) 15.902 3.509 ( 9.871 3.888 8.447) 13.561 3.625 ( -1.723 5.932 0.626) 6.209 4.127 ( 12.361 5.652 -8.152) 15.849 5.295 ( -3.597 6.404 -0.002) 7.345 5.672 ( -8.139 7.425 -4.570) 11.927 6.681 ( -1.183 -4.668 6.411) 8.018 7.512 ( -1.094 -21.324 -1.792) 21.427 7.632 ( 12.321 -15.730 5.549) 20.737 10.003 ( -18.354 9.125 -2.741) 20.680 10.368 ( -18.199 -6.159 -0.882) 19.233 11.514 ( 3.491 9.016 -11.369) 14.924 12.725 ( -4.906 4.018 -1.610) 6.542 13.329 ( 20.598 12.769 0.363) 24.238 14.669 ( 5.857 -8.928 5.286) 11.915 15.503 ( -6.624 1.659 -0.966) 6.897 18.717 ( -4.206 -19.264 5.910) 20.585 19.654 ( -2.692 -2.650 -1.773) 4.173 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( 13.677 5.569 0.575) 14.778 3.641 ( -2.235 5.759 -0.442) 6.193 3.762 ( 12.996 0.404 10.228) 16.543 4.389 ( 13.667 6.329 -6.061) 16.235 5.242 ( -6.713 1.039 -1.673) 6.996 5.545 ( -10.190 2.143 -3.159) 10.882 6.714 ( 4.519 1.715 4.393) 6.532 7.294 ( -1.194 -16.459 -3.198) 16.809 7.651 ( 2.720 -12.452 4.119) 13.395 9.737 ( -18.543 6.133 2.741) 19.722 10.085 ( -8.639 -4.605 -4.667) 10.845 11.609 ( 2.894 5.857 -6.186) 8.998 12.664 ( -4.963 2.453 0.625) 5.571 13.811 ( 18.365 15.391 -0.103) 23.962 14.711 ( 7.022 -8.995 5.569) 12.698 15.363 ( -10.573 0.776 -2.050) 10.798 18.487 ( -4.635 -13.942 1.605) 14.780 19.592 ( -1.869 -0.994 -0.663) 2.218 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -0.000 0.537 6.324) 6.347 3.339 ( -0.000 7.114 10.942) 13.051 3.659 ( -0.000 6.649 -0.264) 6.654 3.878 ( 0.000 4.832 -11.091) 12.098 5.361 ( -0.000 8.470 -0.039) 8.471 5.823 ( 0.000 9.386 -6.110) 11.199 6.760 ( -0.000 -9.984 7.511) 12.494 7.312 ( -0.000 -12.937 7.448) 14.928 7.531 ( 0.000 -21.144 -1.689) 21.211 10.223 ( 0.000 -1.885 -3.710) 4.162 11.129 ( -0.000 3.149 1.194) 3.368 11.346 ( 0.000 14.578 -17.438) 22.729 12.634 ( 0.000 3.791 -5.166) 6.408 12.969 ( -0.000 6.542 3.424) 7.383 14.572 ( -0.000 -4.974 6.038) 7.823 15.610 ( -0.000 1.332 0.177) 1.344 18.789 ( -0.000 -21.388 7.974) 22.826 19.712 ( 0.000 -3.740 -2.548) 4.525 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 10.917 -0.170 4.751) 11.907 3.464 ( 3.764 2.387 11.856) 12.667 3.720 ( -1.214 7.256 1.475) 7.503 3.955 ( 8.303 4.289 -10.779) 14.266 5.402 ( -2.412 4.326 -1.551) 5.190 5.837 ( -4.802 6.151 -6.504) 10.159 6.679 ( -1.906 -6.314 7.732) 10.163 7.304 ( 7.347 -17.456 6.553) 20.041 7.351 ( 1.773 -9.029 -1.798) 9.376 10.177 ( -2.373 0.790 -4.633) 5.265 10.824 ( -30.127 1.959 1.251) 30.217 11.500 ( 4.155 10.230 -13.261) 17.255 12.772 ( 6.655 4.519 -5.825) 9.932 13.103 ( 11.873 5.032 4.583) 13.686 14.579 ( 1.289 -2.059 7.860) 8.227 15.596 ( -3.046 0.884 -0.278) 3.183 18.598 ( -1.678 -18.171 4.238) 18.734 19.662 ( -1.529 -1.734 -1.786) 2.921 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 17.535 0.105 2.026) 17.651 3.593 ( 6.499 -2.427 10.811) 12.845 3.770 ( -1.960 6.810 4.153) 8.214 4.161 ( 14.401 4.208 -8.899) 17.444 5.349 ( -5.346 -0.046 -2.873) 6.069 5.732 ( -9.570 2.384 -6.323) 11.716 6.648 ( 2.296 -5.603 5.942) 8.484 7.187 ( -1.178 -6.509 -3.422) 7.448 7.439 ( 10.178 -8.199 6.568) 14.627 10.131 ( -4.444 5.219 -5.448) 8.756 10.276 ( -32.077 -2.210 2.810) 32.276 11.595 ( 2.486 7.072 -9.769) 12.314 12.793 ( -5.069 3.798 -0.896) 6.397 13.532 ( 26.141 6.487 1.488) 26.975 14.615 ( 0.898 -0.968 8.803) 8.901 15.516 ( -6.914 0.429 -1.316) 7.051 18.412 ( -2.331 -13.970 0.772) 14.184 19.617 ( -1.945 -0.106 -0.976) 2.178 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -0.000 -3.183 4.726) 5.698 3.490 ( -0.000 -0.652 13.152) 13.168 3.815 ( -0.000 7.665 3.454) 8.407 3.879 ( 0.000 3.872 -11.980) 12.590 5.440 ( 0.000 0.431 -2.702) 2.736 5.899 ( 0.000 3.085 -7.656) 8.254 6.677 ( -0.000 -4.293 8.681) 9.685 7.079 ( -0.000 -16.464 4.371) 17.035 7.297 ( -0.000 0.258 -0.037) 0.261 10.177 ( 0.000 0.147 -3.704) 3.707 11.182 ( -0.000 1.070 1.411) 1.770 11.499 ( 0.000 11.962 -13.105) 17.743 12.649 ( 0.000 2.723 -6.156) 6.732 13.084 ( -0.000 2.065 3.893) 4.407 14.614 ( -0.000 3.119 10.360) 10.819 15.627 ( -0.000 0.284 0.017) 0.284 18.452 ( 0.000 -16.096 1.909) 16.209 19.659 ( 0.000 -0.333 -1.553) 1.588 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 12.339 -4.362 3.357) 13.511 3.534 ( 2.239 -4.004 12.636) 13.443 3.883 ( -1.238 5.906 3.532) 6.992 3.960 ( 8.698 4.568 -8.901) 13.257 5.388 ( -2.682 -3.868 -3.689) 5.980 5.843 ( -4.794 -0.164 -8.276) 9.566 6.619 ( -4.202 -5.813 6.602) 9.748 7.061 ( 10.083 -6.380 1.651) 12.046 7.333 ( 0.259 4.581 3.161) 5.572 10.166 ( -0.615 0.906 -4.186) 4.327 10.866 ( -31.048 1.362 1.908) 31.137 11.598 ( 1.925 8.796 -11.464) 14.578 12.823 ( 9.123 5.125 -5.321) 11.739 13.179 ( 13.515 -0.501 4.363) 14.211 14.691 ( -1.303 5.875 11.837) 13.279 15.600 ( -3.262 -0.228 -0.449) 3.301 18.301 ( -0.701 -13.296 -0.649) 13.330 19.647 ( -1.228 1.145 -1.148) 2.034 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -0.000 -6.700 3.320) 7.478 3.510 ( -0.000 -6.930 12.817) 14.571 3.869 ( 0.000 3.796 -11.378) 11.994 3.991 ( -0.000 5.760 7.619) 9.551 5.337 ( 0.000 -8.266 -4.464) 9.394 5.834 ( 0.000 -3.196 -9.416) 9.943 6.718 ( -0.000 2.165 8.982) 9.239 6.844 ( 0.000 -7.554 -0.115) 7.554 7.440 ( -0.000 12.158 3.020) 12.528 10.161 ( 0.000 0.159 -3.851) 3.854 11.200 ( -0.000 0.126 1.551) 1.556 11.630 ( 0.000 9.923 -11.007) 14.820 12.689 ( 0.000 6.176 -4.963) 7.923 13.102 ( -0.000 -2.707 3.008) 4.047 14.829 ( -0.000 9.274 13.939) 16.743 15.622 ( 0.000 -0.738 -0.041) 0.739 18.175 ( 0.000 -12.058 -2.443) 12.303 19.672 ( 0.000 2.596 -1.155) 2.841 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -0.000 -0.000 28.047) 28.047 1.364 ( -0.000 -0.000 28.047) 28.047 2.167 ( -0.000 -0.000 44.462) 44.462 3.483 ( 0.000 0.000 -9.816) 9.816 3.483 ( 0.000 0.000 -9.816) 9.816 6.174 ( 0.000 0.000 -18.886) 18.886 8.467 ( 0.000 -0.000 0.095) 0.095 8.467 ( 0.000 0.000 0.095) 0.095 9.858 ( 0.000 0.000 -8.951) 8.951 9.858 ( 0.000 0.000 -8.951) 8.951 10.534 ( 0.000 0.000 -4.773) 4.773 11.263 ( -0.000 0.000 7.577) 7.577 11.263 ( -0.000 -0.000 7.577) 7.577 11.328 ( -0.000 -0.000 4.176) 4.176 15.293 ( 0.000 0.000 -0.524) 0.524 15.293 ( 0.000 0.000 -0.524) 0.524 20.730 ( -0.000 -0.000 0.114) 0.114 22.500 ( -0.000 -0.000 1.234) 1.234 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 7.285 4.206 27.065) 28.342 1.565 ( 8.498 4.906 24.985) 26.843 2.483 ( 14.503 8.374 31.425) 35.609 3.441 ( 0.749 0.432 -9.987) 10.024 3.604 ( 11.561 6.675 -6.014) 14.642 5.647 ( -25.775 -14.881 -4.985) 30.177 8.347 ( -7.833 -4.522 -0.963) 9.096 9.041 ( 4.173 2.409 -23.528) 24.017 9.660 ( 19.054 11.001 -15.940) 27.169 10.033 ( 9.000 5.196 -8.828) 13.636 10.287 ( -16.252 -9.383 -2.221) 18.897 11.138 ( -7.171 -4.140 8.361) 11.767 11.518 ( 13.778 7.955 4.195) 16.453 11.644 ( 20.168 11.644 -1.661) 23.347 15.293 ( 0.584 0.337 -0.340) 0.755 15.323 ( 2.165 1.250 -0.473) 2.544 20.608 ( -10.486 -6.054 1.484) 12.199 21.968 ( -38.909 -22.464 20.822) 49.518 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 11.893 6.867 22.739) 26.565 1.894 ( 12.488 7.210 19.756) 24.459 2.990 ( 21.981 12.691 9.109) 26.967 3.440 ( 2.014 1.163 -9.033) 9.328 3.936 ( 16.791 9.694 4.349) 19.870 5.175 ( -13.924 -8.039 -4.830) 16.788 8.120 ( -11.173 -6.451 -3.061) 13.259 8.552 ( -26.018 -15.022 -3.026) 30.195 9.854 ( -20.268 -11.702 -2.099) 23.498 10.179 ( 5.342 3.084 -4.729) 7.772 10.248 ( 26.601 15.358 -39.361) 49.928 11.019 ( -4.923 -2.842 5.952) 8.230 11.885 ( 15.942 9.204 3.306) 18.702 12.067 ( 17.559 10.138 -10.725) 22.937 15.299 ( -0.471 -0.272 -0.971) 1.112 15.384 ( 3.092 1.785 -0.300) 3.583 20.307 ( -15.899 -9.179 7.989) 20.022 21.181 ( -35.722 -20.624 26.970) 49.283 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 12.649 7.303 14.319) 20.454 2.261 ( 16.262 9.389 14.763) 23.886 3.461 ( 2.138 1.235 -6.597) 7.044 3.489 ( 20.366 11.758 -9.595) 25.399 4.350 ( 15.108 8.723 15.084) 23.062 4.981 ( -0.787 -0.454 -5.459) 5.534 7.827 ( -12.874 -7.433 -5.094) 15.714 8.012 ( -21.199 -12.239 7.943) 25.735 9.351 ( -22.879 -13.209 -3.090) 26.598 10.228 ( -0.607 -0.350 2.266) 2.372 10.564 ( 14.443 8.339 -34.350) 38.185 10.978 ( 0.506 0.292 0.347) 0.680 12.228 ( 12.455 7.191 0.699) 14.399 12.366 ( 13.048 7.534 -11.524) 18.969 15.242 ( -4.090 -2.361 -3.061) 5.628 15.456 ( 3.190 1.842 -0.106) 3.686 19.990 ( -15.303 -8.835 16.488) 24.169 20.523 ( -28.724 -16.584 14.515) 36.204 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 10.224 5.903 8.243) 14.398 2.704 ( 18.681 10.785 7.261) 22.760 3.488 ( 1.643 0.949 -1.927) 2.705 3.794 ( 10.430 6.022 -19.854) 23.221 4.707 ( 11.745 6.781 17.213) 21.913 5.113 ( 11.738 6.777 -0.297) 13.557 7.507 ( -12.977 -7.492 -6.637) 16.388 7.645 ( -14.654 -8.461 13.878) 21.885 8.790 ( -24.755 -14.292 -5.008) 29.020 10.189 ( -3.539 -2.044 6.553) 7.723 10.727 ( 9.804 5.660 -22.557) 25.238 11.029 ( 3.892 2.247 -3.279) 5.563 12.422 ( 5.598 3.232 -3.737) 7.467 12.629 ( 12.362 7.137 -4.713) 15.033 15.094 ( -7.075 -4.085 -6.058) 10.170 15.524 ( 2.694 1.555 0.027) 3.111 19.698 ( -18.631 -10.756 24.619) 32.694 19.998 ( -17.194 -9.927 -2.722) 20.040 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 5.762 3.327 0.922) 6.717 3.148 ( 18.286 10.557 1.352) 21.158 3.530 ( 1.808 1.044 5.298) 5.694 3.855 ( 2.329 1.344 -19.259) 19.446 5.034 ( 11.952 6.901 10.858) 17.561 5.410 ( 11.842 6.837 5.632) 14.789 7.200 ( -11.381 -6.571 -7.725) 15.244 7.423 ( -9.377 -5.414 12.818) 16.780 8.193 ( -25.276 -14.593 -6.833) 29.975 10.137 ( -2.750 -1.588 6.782) 7.489 10.885 ( 9.384 5.418 -8.349) 13.680 11.110 ( 3.881 2.241 -3.531) 5.705 12.497 ( 2.136 1.233 -0.665) 2.554 12.871 ( 9.716 5.609 -3.070) 11.631 14.903 ( -6.614 -3.818 -8.922) 11.744 15.577 ( 1.918 1.107 0.069) 2.216 19.279 ( -22.228 -12.833 13.899) 29.189 19.750 ( -5.811 -3.355 -1.165) 6.810 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 0.429 0.248 -4.687) 4.713 3.522 ( 14.040 8.106 -4.621) 16.858 3.616 ( 3.004 1.734 11.620) 12.127 3.810 ( 0.123 0.071 -14.600) 14.601 5.295 ( 7.467 4.311 6.173) 10.604 5.660 ( 7.520 4.341 8.343) 12.042 6.944 ( -8.206 -4.738 -8.523) 12.744 7.301 ( -4.426 -2.555 7.621) 9.176 7.609 ( -22.854 -13.195 -7.507) 27.436 10.119 ( -0.783 -0.452 5.337) 5.413 11.103 ( 10.286 5.938 3.909) 12.504 11.171 ( 2.337 1.349 -2.466) 3.656 12.534 ( 1.008 0.582 3.491) 3.680 13.042 ( 6.044 3.489 -2.874) 7.547 14.759 ( -2.327 -1.343 -10.713) 11.044 15.612 ( 1.073 0.620 0.048) 1.240 18.839 ( -18.697 -10.794 4.095) 21.974 19.663 ( -2.382 -1.376 1.382) 3.079 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -3.512 -2.027 -5.462) 6.802 3.643 ( -0.744 -0.430 -14.827) 14.852 3.741 ( 3.726 2.151 13.229) 13.911 3.862 ( 7.670 4.428 -5.247) 10.294 5.402 ( 0.207 0.120 4.188) 4.194 5.806 ( 2.381 1.375 9.308) 9.706 6.773 ( -3.721 -2.148 -9.014) 9.985 7.121 ( -16.496 -9.524 -3.200) 19.314 7.297 ( 2.380 1.374 -0.207) 2.756 10.135 ( 0.547 0.316 4.021) 4.070 11.198 ( 0.708 0.409 -1.540) 1.744 11.370 ( 10.324 5.961 10.503) 15.889 12.584 ( 2.255 1.302 5.789) 6.348 13.121 ( 1.745 1.007 -3.024) 3.633 14.734 ( 3.681 2.125 -11.645) 12.396 15.627 ( 0.226 0.130 0.023) 0.262 18.462 ( -14.781 -8.534 0.151) 17.068 19.642 ( -0.015 -0.009 1.563) 1.563 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -0.000 8.031 23.360) 24.702 1.699 ( -0.000 13.200 26.089) 29.239 2.545 ( -0.000 7.504 27.653) 28.653 3.468 ( 0.000 4.399 -10.448) 11.336 3.530 ( 0.000 12.551 -3.577) 13.051 5.634 ( 0.000 -25.928 -7.476) 26.984 8.401 ( 0.000 -9.343 -1.738) 9.503 9.126 ( 0.000 47.879 -31.647) 57.392 9.702 ( 0.000 -0.460 -2.314) 2.360 9.725 ( 0.000 -10.238 -8.349) 13.211 10.236 ( 0.000 -22.799 -0.799) 22.813 11.390 ( -0.000 1.595 2.933) 3.339 11.430 ( -0.000 13.934 4.285) 14.578 11.580 ( -0.000 19.237 1.910) 19.331 15.301 ( -0.000 1.667 -0.202) 1.679 15.306 ( 0.000 0.467 -0.239) 0.525 20.610 ( 0.000 -11.979 1.351) 12.055 22.027 ( -0.000 -41.739 17.255) 45.165 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 5.296 8.142 20.847) 22.998 1.974 ( 4.308 15.626 23.355) 28.429 2.817 ( 13.435 9.721 7.516) 18.207 3.457 ( -1.505 7.169 -8.913) 11.537 3.808 ( 12.493 14.859 5.778) 20.254 5.285 ( -10.942 -12.993 -6.681) 18.253 8.144 ( -10.909 -15.811 -2.422) 19.361 9.117 ( -36.122 12.975 -6.653) 38.954 9.545 ( 24.355 -11.499 -19.965) 33.526 9.922 ( -7.624 -22.996 -0.121) 24.228 10.188 ( 20.319 22.198 -19.908) 36.082 11.196 ( -13.456 0.916 4.959) 14.370 11.796 ( 12.683 14.069 0.867) 18.961 11.877 ( 11.986 15.601 -3.317) 19.951 15.317 ( -0.343 2.070 0.065) 2.099 15.332 ( 2.661 -0.585 -0.198) 2.732 20.409 ( -7.739 -14.986 4.445) 17.442 21.486 ( -20.601 -37.316 23.215) 48.537 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 10.335 7.153 15.708) 20.118 2.306 ( 6.651 16.801 17.622) 25.240 3.189 ( 17.583 7.756 -8.726) 21.106 3.507 ( 0.927 10.720 -7.052) 12.865 4.234 ( 15.529 12.580 14.871) 24.911 5.027 ( -6.893 -0.998 -7.656) 10.350 7.769 ( -9.721 -21.010 -0.349) 23.152 8.613 ( -34.472 11.657 2.518) 36.477 9.472 ( -11.976 -23.295 -0.687) 26.202 9.787 ( 22.099 -17.526 -15.660) 32.260 10.573 ( 6.237 23.558 -22.549) 33.202 11.019 ( -6.740 -2.636 2.862) 7.782 12.134 ( 9.945 12.533 1.875) 16.109 12.203 ( 12.877 11.790 -9.381) 19.820 15.298 ( -3.802 0.814 -1.088) 4.037 15.387 ( 4.661 -1.507 0.141) 4.900 20.132 ( -9.681 -13.888 9.316) 19.323 20.837 ( -24.847 -28.730 18.009) 42.037 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 12.753 7.106 7.793) 16.549 2.651 ( 8.082 16.657 11.892) 22.005 3.432 ( 8.342 3.029 -7.880) 11.868 3.665 ( 6.110 12.659 -12.216) 18.623 4.642 ( 12.014 7.759 18.088) 23.059 5.017 ( 5.403 7.825 -5.381) 10.926 7.421 ( -6.729 -20.720 1.888) 21.867 8.187 ( -30.273 11.213 5.549) 32.757 8.981 ( -18.503 -20.459 -2.741) 27.721 9.920 ( 18.631 -18.898 -6.458) 27.312 10.709 ( -2.762 12.022 -10.406) 16.138 10.977 ( 3.134 2.033 -6.991) 7.927 12.366 ( 6.077 7.482 -1.653) 9.780 12.509 ( 11.573 12.777 -6.159) 18.307 15.186 ( -8.127 -0.984 -3.194) 8.788 15.455 ( 5.002 -1.896 0.219) 5.353 19.884 ( -9.459 -12.959 15.294) 22.166 20.214 ( -23.026 -20.529 5.092) 31.266 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 7.540 7.790 0.497) 10.853 3.007 ( 11.905 14.179 6.005) 19.464 3.549 ( 3.701 4.707 0.139) 5.989 3.790 ( 1.706 8.143 -15.273) 17.392 4.944 ( 10.392 6.487 11.023) 16.480 5.275 ( 12.981 7.436 3.170) 15.292 7.141 ( -4.593 -17.165 0.243) 17.771 7.831 ( -25.120 8.445 5.901) 27.150 8.426 ( -22.171 -17.511 -5.285) 28.742 10.008 ( 12.029 -14.963 3.075) 19.443 10.731 ( 4.522 -2.196 -4.785) 6.940 11.063 ( 3.414 7.319 -6.762) 10.533 12.506 ( 3.222 6.294 -0.063) 7.071 12.791 ( 8.684 12.663 -4.978) 16.142 14.993 ( -10.210 -1.681 -5.829) 11.877 15.518 ( 4.453 -2.144 0.245) 4.948 19.540 ( -20.196 -19.853 15.292) 32.185 19.809 ( -7.308 -5.818 -3.070) 9.833 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 0.022 8.077 -4.232) 9.118 3.361 ( 12.923 10.425 0.025) 16.604 3.666 ( 3.003 5.663 3.483) 7.295 3.797 ( -2.866 6.476 -9.754) 12.054 5.207 ( 9.659 4.149 5.979) 12.093 5.559 ( 11.180 3.007 7.030) 13.545 6.924 ( -3.536 -11.302 -3.963) 12.487 7.537 ( -18.197 3.642 4.626) 19.126 7.858 ( -23.114 -12.736 -7.027) 27.310 10.067 ( 6.360 -8.051 6.754) 12.283 10.790 ( 13.101 -14.866 -2.958) 20.034 11.190 ( 3.330 9.193 1.422) 9.881 12.612 ( 0.975 7.250 3.040) 7.922 13.014 ( 4.420 12.663 -4.504) 14.148 14.792 ( -7.698 -1.156 -8.187) 11.297 15.565 ( 3.491 -2.337 0.265) 4.209 19.048 ( -18.994 -15.735 3.995) 24.986 19.689 ( -2.729 -3.248 1.345) 4.450 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( -5.833 8.264 -5.150) 11.351 3.590 ( 3.624 4.570 -10.260) 11.802 3.759 ( 5.520 2.549 -6.194) 8.680 3.834 ( -1.551 10.283 10.993) 15.133 5.373 ( 4.757 -0.055 3.805) 6.091 5.757 ( 7.247 -0.877 8.156) 10.946 6.763 ( -3.621 -5.518 -7.557) 10.033 7.301 ( -11.693 -7.849 3.746) 14.573 7.400 ( -15.816 2.308 -7.563) 17.682 10.120 ( 3.107 -2.141 5.704) 6.839 10.843 ( 16.269 -23.978 -2.117) 29.054 11.376 ( 5.446 8.940 9.349) 14.035 12.712 ( -0.437 9.260 5.199) 10.628 13.151 ( -1.295 12.258 -4.235) 13.034 14.676 ( -1.052 0.181 -9.863) 9.920 15.592 ( 2.435 -2.591 0.316) 3.570 18.624 ( -15.386 -11.409 -0.372) 19.158 19.643 ( -0.507 -1.754 1.627) 2.446 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -0.000 10.305 17.328) 20.160 2.178 ( -0.000 14.515 24.497) 28.474 2.817 ( 0.000 12.513 -2.156) 12.697 3.505 ( 0.000 6.821 -10.403) 12.440 3.909 ( -0.000 20.135 12.301) 23.596 5.230 ( 0.000 -9.125 -8.901) 12.747 8.094 ( 0.000 -18.429 -2.784) 18.638 9.085 ( 0.000 -21.622 -12.047) 24.752 9.728 ( 0.000 -27.970 1.839) 28.030 9.800 ( -0.000 8.090 4.816) 9.415 9.943 ( 0.000 36.846 -36.537) 51.890 11.366 ( 0.000 -3.863 -2.629) 4.672 11.756 ( -0.000 15.792 2.022) 15.921 11.987 ( -0.000 19.668 -0.379) 19.672 15.285 ( 0.000 -3.185 0.498) 3.224 15.354 ( -0.000 3.444 0.368) 3.464 20.323 ( -0.000 -18.096 5.734) 18.983 21.335 ( -0.000 -40.936 20.584) 45.820 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 2.845 9.069 14.509) 17.345 2.442 ( 4.923 14.489 19.668) 24.919 3.018 ( 9.074 13.450 -10.376) 19.259 3.557 ( 1.798 9.019 -9.107) 12.943 4.230 ( 7.957 17.537 16.204) 25.168 5.100 ( -4.797 0.776 -10.278) 11.369 7.764 ( -11.888 -19.874 -0.525) 23.164 8.978 ( 11.787 -24.836 -4.097) 27.794 9.390 ( -11.299 -19.900 1.369) 22.925 9.510 ( -19.780 10.881 -8.958) 24.288 10.487 ( 19.433 22.599 -23.487) 37.947 11.170 ( -12.215 -4.855 -1.241) 13.203 12.057 ( 13.062 14.046 -1.882) 19.273 12.193 ( 2.864 15.829 -1.228) 16.132 15.275 ( 3.447 -5.652 0.656) 6.653 15.375 ( -1.996 3.443 0.338) 3.994 20.127 ( -4.409 -17.402 8.714) 19.955 20.899 ( -12.558 -35.591 15.398) 40.762 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 7.814 8.893 8.785) 14.741 2.758 ( 6.256 16.535 13.939) 22.513 3.260 ( 10.461 8.151 -11.931) 17.839 3.685 ( 4.189 11.734 -7.826) 14.714 4.599 ( 10.143 11.494 16.914) 22.827 5.052 ( -1.661 9.583 -9.212) 13.396 7.380 ( -9.974 -18.889 2.822) 21.546 8.778 ( -17.697 -5.393 3.553) 18.839 8.993 ( -10.825 -24.025 1.673) 26.404 9.413 ( 8.392 -3.590 -11.215) 14.460 10.844 ( 3.974 17.600 -15.357) 23.693 10.916 ( -4.740 -6.942 -3.446) 9.085 12.366 ( 3.574 10.039 -0.101) 10.657 12.420 ( 12.521 15.237 -5.448) 20.460 15.270 ( 0.300 -5.320 -0.282) 5.335 15.363 ( -0.635 0.903 0.283) 1.140 19.914 ( -5.443 -15.850 12.255) 20.762 20.354 ( -17.834 -27.530 5.965) 33.340 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 10.102 10.092 1.951) 14.412 3.063 ( 4.883 16.697 9.271) 19.713 3.452 ( 9.347 4.588 -8.463) 13.418 3.843 ( 2.269 12.558 -6.962) 14.537 4.894 ( 7.809 7.062 10.848) 15.118 5.183 ( 6.924 10.386 -1.810) 12.613 7.078 ( -6.482 -15.918 3.023) 17.451 8.383 ( -26.264 1.760 3.594) 26.567 8.546 ( -15.268 -20.584 -1.593) 25.678 9.553 ( 18.255 -12.180 -2.763) 22.119 10.674 ( -5.525 -9.740 -1.334) 11.277 11.081 ( 4.573 14.031 -10.230) 17.957 12.499 ( 3.401 5.470 0.723) 6.482 12.762 ( 10.659 17.145 -5.619) 20.956 15.148 ( -9.111 -1.476 -2.469) 9.555 15.396 ( 5.096 -3.827 0.692) 6.410 19.663 ( -12.202 -23.489 16.843) 31.374 19.871 ( -11.042 -10.346 -5.778) 16.197 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 5.616 11.969 -3.204) 13.603 3.324 ( 5.767 12.915 5.064) 15.023 3.613 ( 6.730 4.648 -7.100) 10.831 3.950 ( -2.376 13.397 -1.931) 13.743 5.112 ( 7.951 4.464 4.927) 10.364 5.417 ( 10.295 3.546 4.399) 11.744 6.864 ( -3.580 -10.831 0.012) 11.407 7.947 ( -24.446 -4.977 2.719) 25.095 8.081 ( -19.130 -9.255 -4.944) 21.818 9.751 ( 18.387 -12.607 4.160) 22.679 10.506 ( 0.492 -14.523 -2.393) 14.727 11.247 ( 2.803 11.832 -1.101) 12.209 12.606 ( 4.361 2.037 1.892) 5.172 13.079 ( 6.938 19.806 -4.745) 21.516 14.940 ( -11.888 -0.124 -4.581) 12.740 15.449 ( 5.663 -4.996 0.833) 7.597 19.195 ( -16.966 -20.679 4.471) 27.119 19.702 ( -3.069 -4.536 0.322) 5.487 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( -2.321 13.842 -4.055) 14.609 3.549 ( 6.210 8.050 -0.165) 10.169 3.695 ( 1.642 3.964 -10.451) 11.297 4.042 ( -3.406 14.522 6.785) 16.387 5.279 ( 6.856 -0.200 3.021) 7.495 5.614 ( 9.597 -2.488 6.043) 11.610 6.740 ( -1.833 -4.072 -4.118) 6.074 7.487 ( -19.068 -11.029 2.375) 22.156 7.699 ( -18.355 1.268 -6.308) 19.450 9.954 ( 15.356 -8.858 6.158) 18.767 10.377 ( 5.552 -20.588 -2.528) 21.473 11.416 ( 3.728 9.099 6.461) 11.766 12.704 ( 5.346 -0.394 2.088) 5.753 13.349 ( 1.142 22.924 -3.084) 23.159 14.734 ( -9.161 0.443 -6.583) 11.290 15.492 ( 4.911 -5.460 1.026) 7.415 18.753 ( -14.608 -14.601 -0.587) 20.662 19.636 ( -0.894 -2.991 1.296) 3.380 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -0.000 9.297 12.276) 15.399 2.566 ( -0.000 9.895 16.172) 18.959 3.076 ( 0.000 17.881 -9.180) 20.100 3.581 ( 0.000 7.986 -10.012) 12.807 4.409 ( -0.000 18.258 16.373) 24.524 5.133 ( 0.000 6.724 -12.125) 13.864 7.689 ( 0.000 -20.337 -0.191) 20.337 8.535 ( 0.000 -25.267 -6.813) 26.170 9.173 ( 0.000 -29.817 3.428) 30.013 10.033 ( -0.000 9.672 7.269) 12.099 10.344 ( 0.000 29.598 -33.093) 44.398 11.223 ( 0.000 -6.358 -6.501) 9.093 12.071 ( -0.000 14.425 1.776) 14.534 12.327 ( -0.000 15.387 -1.531) 15.463 15.172 ( 0.000 -8.929 1.335) 9.028 15.434 ( -0.000 3.997 0.686) 4.055 20.018 ( -0.000 -18.336 10.424) 21.092 20.695 ( -0.000 -34.920 10.207) 36.381 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 1.942 8.937 9.256) 13.012 2.802 ( 9.049 11.219 10.552) 17.863 3.232 ( 1.842 14.085 -6.824) 15.759 3.672 ( 5.002 8.824 -8.859) 13.467 4.667 ( 3.815 14.708 14.048) 20.694 5.166 ( -2.238 13.148 -11.242) 17.443 7.385 ( -10.063 -18.690 2.513) 21.375 8.436 ( 16.083 -25.339 -3.920) 30.267 8.860 ( -3.475 -29.079 2.997) 29.439 9.815 ( -27.224 16.334 -1.973) 31.809 10.731 ( 15.107 16.121 -18.217) 28.635 11.032 ( -10.392 -4.290 -5.341) 12.447 12.326 ( 11.114 13.550 -0.912) 17.549 12.463 ( 0.229 12.635 -1.015) 12.678 15.117 ( 4.271 -10.817 1.647) 11.746 15.450 ( -2.943 3.645 0.395) 4.701 19.855 ( -2.406 -18.615 13.162) 22.925 20.318 ( -8.805 -28.459 2.316) 29.880 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 7.011 10.694 4.727) 13.633 3.133 ( 10.775 12.734 7.999) 18.500 3.358 ( 2.684 8.614 -5.851) 10.754 3.849 ( 7.362 9.853 -6.376) 13.854 4.906 ( 4.382 10.214 8.720) 14.127 5.244 ( -0.807 14.176 -6.381) 15.566 7.065 ( -8.279 -15.272 3.885) 17.801 8.432 ( 7.092 -23.425 2.908) 24.647 8.513 ( -3.712 -25.641 -1.697) 25.964 9.541 ( -19.376 13.922 -1.785) 23.926 10.702 ( -9.617 -10.096 -3.547) 14.387 11.083 ( 7.455 15.153 -11.036) 20.174 12.528 ( 0.518 6.863 -1.296) 7.003 12.714 ( 12.599 16.790 -1.735) 21.063 15.105 ( 5.452 -10.823 1.610) 12.225 15.407 ( -5.501 2.850 -0.386) 6.207 19.635 ( -6.388 -24.841 15.534) 29.986 19.916 ( -9.773 -13.567 -6.084) 17.792 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 8.954 12.992 0.523) 15.787 3.417 ( 1.346 11.225 7.142) 13.373 3.495 ( 10.408 6.700 -6.404) 13.936 4.050 ( 5.303 11.464 -2.993) 12.981 5.078 ( 3.701 6.312 3.200) 7.986 5.360 ( 2.571 7.608 -0.447) 8.043 6.837 ( -4.785 -10.075 2.172) 11.363 8.099 ( -11.598 -21.416 0.811) 24.368 8.292 ( -7.835 -13.815 -0.519) 15.890 9.464 ( 0.899 2.801 0.688) 3.021 10.436 ( -7.172 -11.454 -1.966) 13.656 11.293 ( 4.869 11.614 -4.256) 13.293 12.579 ( 0.844 2.539 0.117) 2.678 13.100 ( 11.817 19.325 -2.214) 22.760 15.064 ( -1.812 -6.408 0.046) 6.660 15.345 ( -1.532 -1.101 -0.164) 1.894 19.244 ( -12.552 -24.402 5.594) 28.006 19.712 ( -3.839 -4.962 -1.581) 6.470 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 5.053 14.898 -1.927) 15.849 3.527 ( 3.466 3.554 2.518) 5.566 3.706 ( 3.501 11.045 -5.940) 13.020 4.230 ( 1.490 13.613 2.151) 13.862 5.186 ( 4.097 0.725 1.295) 4.357 5.468 ( 5.572 -0.864 2.383) 6.121 6.722 ( -1.319 -2.886 -1.202) 3.393 7.681 ( -15.747 -15.315 0.230) 21.967 7.965 ( -15.519 -7.472 -1.924) 17.332 9.583 ( 12.843 -6.166 1.311) 14.307 10.223 ( -3.605 -12.200 0.330) 12.725 11.461 ( 3.714 8.627 2.236) 9.655 12.619 ( 2.894 -0.867 0.379) 3.045 13.475 ( 8.847 21.505 -1.226) 23.286 14.913 ( -10.511 -0.173 -2.907) 10.907 15.340 ( 4.593 -6.573 1.251) 8.116 18.825 ( -12.385 -17.560 -0.289) 21.490 19.628 ( -1.460 -3.280 0.509) 3.626 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -0.000 6.852 8.887) 11.221 2.850 ( -0.000 12.073 5.771) 13.381 3.350 ( -0.000 12.341 -0.429) 12.348 3.666 ( 0.000 7.603 -10.045) 12.598 4.831 ( -0.000 14.882 9.522) 17.667 5.294 ( 0.000 16.312 -10.538) 19.420 7.315 ( -0.000 -18.269 3.769) 18.654 8.019 ( 0.000 -22.343 -4.206) 22.735 8.606 ( 0.000 -30.141 4.523) 30.478 10.231 ( -0.000 4.759 3.981) 6.204 10.667 ( 0.000 23.798 -23.227) 33.254 11.072 ( 0.000 -2.916 -5.408) 6.144 12.342 ( -0.000 11.523 1.082) 11.574 12.585 ( -0.000 12.039 -0.848) 12.068 14.967 ( -0.000 -12.520 2.571) 12.781 15.513 ( -0.000 3.438 0.597) 3.489 19.726 ( -0.000 -21.986 14.960) 26.593 20.129 ( 0.000 -22.830 -3.257) 23.061 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 3.837 7.447 6.836) 10.813 3.074 ( 8.796 12.131 3.258) 15.335 3.449 ( -1.014 8.898 2.434) 9.280 3.769 ( 7.221 7.133 -8.586) 13.295 5.006 ( 0.788 12.961 4.539) 13.755 5.404 ( -2.284 16.029 -7.765) 17.956 7.075 ( -7.916 -15.106 4.952) 17.758 7.948 ( 15.011 -21.317 -2.118) 26.158 8.309 ( -2.093 -28.936 4.141) 29.305 10.065 ( -20.481 9.228 -1.956) 22.549 10.771 ( -7.802 0.090 -7.596) 10.889 11.070 ( 5.086 11.917 -9.059) 15.810 12.543 ( 7.489 9.127 -3.032) 12.189 12.710 ( 3.311 12.328 2.336) 12.977 14.896 ( 4.767 -12.404 3.372) 13.710 15.519 ( -3.340 2.969 0.149) 4.472 19.512 ( -3.202 -26.984 13.396) 30.296 19.889 ( -4.559 -11.707 -6.178) 14.000 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 8.992 9.916 4.232) 14.039 3.368 ( 10.844 9.784 -1.763) 14.712 3.526 ( -0.236 7.123 6.829) 9.870 3.975 ( 11.081 7.017 -5.545) 14.239 5.134 ( -0.092 9.363 0.705) 9.390 5.467 ( -3.825 11.499 -4.770) 13.024 6.842 ( -5.905 -9.778 3.938) 12.083 7.982 ( 3.875 -24.915 -3.421) 25.446 8.018 ( 6.060 -21.505 6.285) 23.210 9.789 ( -21.545 11.587 -2.681) 24.610 10.500 ( -12.869 -7.844 -1.357) 15.132 11.280 ( 6.849 11.079 -7.196) 14.880 12.629 ( -1.848 4.956 -2.204) 5.730 13.043 ( 14.841 16.036 1.633) 21.911 14.895 ( 6.917 -11.540 3.766) 13.972 15.458 ( -6.734 2.527 -0.759) 7.233 19.186 ( -7.491 -25.691 5.837) 27.390 19.721 ( -3.744 -5.047 -2.876) 6.911 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -0.000 3.673 7.014) 7.918 3.147 ( -0.000 14.218 4.142) 14.809 3.549 ( -0.000 6.063 5.813) 8.399 3.728 ( 0.000 6.123 -11.005) 12.594 5.142 ( -0.000 12.876 0.815) 12.902 5.556 ( 0.000 15.073 -7.420) 16.801 7.030 ( -0.000 -14.372 7.103) 16.031 7.608 ( 0.000 -16.405 -2.383) 16.577 8.052 ( -0.000 -28.954 4.796) 29.348 10.253 ( 0.000 -1.960 -3.063) 3.636 10.952 ( 0.000 18.831 -15.365) 24.305 11.064 ( -0.000 3.226 0.243) 3.235 12.520 ( 0.000 6.508 -2.106) 6.840 12.810 ( -0.000 10.317 2.145) 10.538 14.753 ( -0.000 -10.719 5.050) 11.849 15.575 ( -0.000 2.364 0.307) 2.384 19.310 ( -0.000 -27.551 9.470) 29.133 19.808 ( 0.000 -7.732 -5.040) 9.230 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( 7.409 3.615 5.904) 10.140 3.345 ( 4.866 12.503 3.896) 13.971 3.615 ( -0.585 4.800 6.773) 8.322 3.824 ( 8.757 4.904 -9.328) 13.702 5.248 ( -1.269 10.188 -1.613) 10.393 5.635 ( -3.562 11.753 -6.787) 14.031 6.866 ( -5.591 -10.095 6.477) 13.233 7.575 ( 11.557 -14.919 -1.495) 18.931 7.787 ( -0.006 -26.669 5.306) 27.191 10.136 ( -9.462 1.858 -5.722) 11.213 10.775 ( -22.186 3.067 -0.044) 22.397 11.243 ( 6.777 11.073 -8.777) 15.671 12.655 ( 5.799 5.519 -4.678) 9.272 12.965 ( 8.107 10.192 4.435) 13.757 14.714 ( 3.629 -8.605 6.387) 11.314 15.567 ( -3.406 1.918 -0.149) 3.912 19.044 ( -3.279 -24.958 4.590) 25.587 19.714 ( -2.045 -4.392 -3.001) 5.699 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -0.000 -0.044 6.088) 6.088 3.452 ( -0.000 10.841 8.908) 14.032 3.690 ( -0.000 4.307 6.869) 8.107 3.749 ( 0.000 4.623 -12.503) 13.330 5.344 ( 0.000 7.994 -3.040) 8.552 5.747 ( 0.000 9.332 -7.706) 12.102 6.849 ( -0.000 -9.707 8.772) 13.084 7.352 ( 0.000 -7.837 -0.917) 7.890 7.541 ( -0.000 -25.524 4.156) 25.861 10.175 ( 0.000 -1.635 -4.998) 5.258 11.147 ( -0.000 3.144 2.069) 3.764 11.187 ( 0.000 14.661 -11.532) 18.653 12.579 ( 0.000 2.589 -4.819) 5.471 13.008 ( -0.000 6.968 3.512) 7.803 14.653 ( -0.000 -3.810 8.797) 9.586 15.612 ( -0.000 1.265 0.070) 1.267 18.847 ( 0.000 -22.654 2.509) 22.792 19.684 ( 0.000 -2.965 -2.438) 3.839 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.000 -0.000 24.076) 24.076 1.647 ( -0.000 -0.000 24.076) 24.076 2.614 ( -0.000 -0.000 37.824) 37.824 3.370 ( 0.000 0.000 -10.729) 10.729 3.370 ( 0.000 0.000 -10.729) 10.729 5.963 ( 0.000 0.000 -19.608) 19.608 8.468 ( 0.000 -0.000 0.098) 0.098 8.468 ( -0.000 0.000 0.098) 0.098 9.771 ( 0.000 -0.000 -7.092) 7.092 9.771 ( 0.000 0.000 -7.092) 7.092 10.489 ( 0.000 0.000 -3.624) 3.624 11.337 ( -0.000 -0.000 5.887) 5.887 11.337 ( -0.000 -0.000 5.887) 5.887 11.367 ( -0.000 -0.000 3.137) 3.137 15.288 ( 0.000 -0.000 -0.459) 0.459 15.288 ( 0.000 0.000 -0.459) 0.459 20.732 ( -0.000 -0.000 0.194) 0.194 22.512 ( -0.000 -0.000 0.996) 0.996 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 6.970 4.024 20.892) 22.389 1.836 ( 7.711 4.452 23.833) 25.442 2.758 ( 4.629 2.672 18.167) 18.937 3.332 ( 1.178 0.680 -9.714) 9.809 3.565 ( 16.390 9.463 -0.047) 18.925 5.562 ( -21.589 -12.464 -9.913) 26.828 8.340 ( -8.720 -5.035 -0.375) 10.076 8.824 ( 9.419 5.438 -15.981) 19.331 9.552 ( 1.908 1.101 -5.680) 6.092 9.937 ( 9.437 5.449 -8.873) 14.053 10.264 ( -15.567 -8.988 -1.919) 18.078 11.227 ( -6.892 -3.979 7.909) 11.220 11.557 ( 13.701 7.910 3.130) 16.127 11.629 ( 16.031 9.255 -1.548) 18.575 15.291 ( 0.622 0.359 -0.059) 0.721 15.318 ( 2.205 1.273 -0.566) 2.608 20.621 ( -9.248 -5.339 0.926) 10.719 22.135 ( -29.640 -17.113 11.092) 35.978 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 10.477 6.049 15.425) 19.603 2.117 ( 9.174 5.296 22.869) 25.203 3.006 ( 14.922 8.615 -5.729) 18.158 3.350 ( 2.895 1.672 -7.132) 7.876 4.030 ( 20.736 11.972 11.823) 26.704 5.108 ( -14.099 -8.140 -7.209) 17.805 8.090 ( -12.350 -7.130 -2.380) 14.458 8.546 ( -20.172 -11.646 2.109) 23.388 9.812 ( -11.752 -6.785 -8.580) 16.055 9.915 ( 13.218 7.631 -19.563) 24.812 10.112 ( 7.944 4.586 -7.349) 11.754 11.095 ( -6.625 -3.825 7.885) 10.986 11.918 ( 15.557 8.982 2.831) 18.186 11.973 ( 14.834 8.564 -7.263) 18.605 15.293 ( -1.088 -0.628 -0.302) 1.292 15.379 ( 3.200 1.848 -0.514) 3.731 20.363 ( -12.834 -7.410 3.123) 15.145 21.419 ( -35.453 -20.469 16.925) 44.299 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 10.511 6.069 8.846) 15.019 2.428 ( 12.200 7.044 15.787) 21.158 3.344 ( 16.488 9.519 -16.065) 24.911 3.408 ( 3.646 2.105 -2.626) 4.962 4.539 ( 17.580 10.150 18.398) 27.397 4.904 ( -0.173 -0.100 -8.426) 8.428 7.774 ( -13.900 -8.025 -4.685) 16.720 8.124 ( -18.250 -10.537 12.639) 24.573 9.312 ( -23.528 -13.584 -4.110) 27.477 10.226 ( 3.286 1.897 -2.434) 4.508 10.248 ( 16.943 9.782 -23.358) 30.469 11.005 ( -2.735 -1.579 4.509) 5.505 12.214 ( 10.098 5.830 -4.329) 12.438 12.289 ( 14.674 8.472 -2.063) 17.069 15.217 ( -5.408 -3.122 -1.833) 6.508 15.453 ( 3.311 1.912 -0.376) 3.842 20.096 ( -11.245 -6.492 4.930) 13.889 20.676 ( -33.776 -19.500 12.314) 40.899 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 7.865 4.541 1.656) 9.231 2.788 ( 15.284 8.824 7.754) 19.277 3.497 ( 3.924 2.266 3.698) 5.849 3.586 ( 9.568 5.524 -18.244) 21.328 4.868 ( 8.476 4.894 10.959) 14.694 5.111 ( 16.422 9.481 1.402) 19.015 7.434 ( -13.692 -7.905 -6.669) 17.159 7.800 ( -14.700 -8.487 14.220) 22.144 8.730 ( -25.505 -14.725 -6.004) 30.057 10.244 ( -1.543 -0.891 3.323) 3.770 10.541 ( 14.659 8.463 -10.892) 20.128 11.009 ( 2.145 1.238 -0.270) 2.492 12.387 ( 6.507 3.757 -2.837) 8.031 12.594 ( 12.428 7.175 -2.037) 14.494 15.039 ( -8.733 -5.042 -4.319) 10.970 15.523 ( 2.786 1.608 -0.232) 3.225 19.892 ( -8.792 -5.076 7.409) 12.568 19.979 ( -29.134 -16.821 3.103) 33.784 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 3.787 2.186 -4.128) 6.013 3.161 ( 15.460 8.926 0.682) 17.865 3.614 ( 4.136 2.388 9.686) 10.800 3.666 ( 3.554 2.052 -15.031) 15.581 5.121 ( 10.594 6.116 4.989) 13.210 5.477 ( 13.181 7.610 6.866) 16.697 7.113 ( -11.804 -6.815 -8.068) 15.839 7.544 ( -11.396 -6.580 9.092) 15.995 8.118 ( -25.595 -14.777 -6.921) 30.354 10.205 ( -2.701 -1.560 5.566) 6.381 10.853 ( 13.902 8.026 2.880) 16.309 11.078 ( 3.739 2.159 -2.276) 4.880 12.501 ( 3.849 2.222 1.269) 4.622 12.838 ( 9.627 5.558 -2.928) 11.496 14.818 ( -8.088 -4.670 -6.904) 11.614 15.577 ( 1.968 1.136 -0.130) 2.276 19.360 ( -24.973 -14.418 0.953) 28.852 19.760 ( -5.014 -2.895 3.164) 6.598 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -0.000 6.379 18.752) 19.807 1.960 ( -0.000 14.081 21.703) 25.871 2.762 ( -0.000 -4.829 11.923) 12.864 3.353 ( 0.000 4.515 -10.563) 11.488 3.536 ( -0.000 19.914 5.184) 20.578 5.532 ( 0.000 -21.970 -10.607) 24.397 8.381 ( 0.000 -10.520 -1.881) 10.687 8.858 ( 0.000 31.915 -18.687) 36.983 9.642 ( 0.000 -10.858 -7.007) 12.923 9.694 ( -0.000 3.001 0.792) 3.104 10.230 ( 0.000 -20.902 -0.341) 20.905 11.408 ( -0.000 -0.617 0.449) 0.763 11.481 ( -0.000 12.269 4.887) 13.207 11.596 ( -0.000 18.075 1.170) 18.112 15.300 ( -0.000 1.895 0.041) 1.896 15.302 ( 0.000 0.773 -0.350) 0.849 20.622 ( 0.000 -10.687 0.864) 10.722 22.165 ( -0.000 -32.476 9.092) 33.724 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 5.302 6.722 15.447) 17.661 2.220 ( 2.790 15.138 21.856) 26.732 2.821 ( 9.149 1.940 -5.803) 11.007 3.362 ( -0.178 7.146 -8.248) 10.914 3.912 ( 13.728 19.282 11.823) 26.458 5.200 ( -10.294 -13.547 -8.421) 18.984 8.124 ( -10.363 -15.964 -1.350) 19.080 9.023 ( -20.857 21.294 -9.996) 31.438 9.379 ( 13.684 -15.718 -9.748) 23.007 9.921 ( -9.335 -22.235 -0.284) 24.117 10.045 ( 16.026 14.695 -7.997) 23.168 11.244 ( -10.653 -2.155 3.753) 11.498 11.796 ( 13.633 11.693 -0.717) 17.975 11.859 ( 7.793 16.678 -0.427) 18.414 15.318 ( -0.743 2.267 0.267) 2.400 15.330 ( 2.696 -0.293 -0.295) 2.728 20.443 ( -6.837 -12.683 2.046) 14.553 21.679 ( -19.268 -34.501 12.837) 41.549 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 8.274 5.006 10.383) 14.189 2.492 ( 3.803 14.814 16.817) 22.732 3.064 ( 16.099 6.773 -13.758) 22.233 3.437 ( 1.827 9.934 -5.045) 11.290 4.405 ( 17.283 14.890 14.936) 27.267 4.935 ( -6.467 -2.294 -8.471) 10.902 7.769 ( -9.530 -19.281 0.196) 21.508 8.662 ( -31.849 11.671 6.911) 34.617 9.454 ( -10.466 -20.989 -2.627) 23.600 9.617 ( 21.740 -16.102 -14.367) 30.632 10.392 ( 7.089 21.219 -11.515) 25.161 11.062 ( -6.980 -6.023 4.461) 10.242 12.123 ( 9.944 12.210 -5.611) 16.716 12.154 ( 11.230 11.662 1.511) 16.260 15.290 ( -4.634 0.501 -0.541) 4.692 15.387 ( 4.473 -0.960 -0.140) 4.577 20.194 ( -8.533 -11.073 3.112) 14.322 20.994 ( -26.312 -30.786 10.621) 41.867 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 9.719 5.116 2.455) 11.254 2.770 ( 5.647 15.353 9.937) 19.141 3.334 ( 13.173 4.071 -10.560) 17.367 3.573 ( 2.335 12.032 -3.384) 12.715 4.827 ( 7.694 4.173 14.035) 16.540 4.947 ( 12.018 11.590 -5.712) 17.647 7.429 ( -8.160 -18.508 -0.498) 20.233 8.268 ( -28.961 8.359 8.986) 31.454 8.944 ( -20.547 -19.349 -3.875) 28.488 9.846 ( 24.429 -17.057 -6.276) 30.448 10.621 ( -0.259 18.533 -5.033) 19.206 10.950 ( 1.252 -6.040 0.901) 6.234 12.346 ( 5.761 10.011 -1.889) 11.704 12.467 ( 11.820 10.467 -2.072) 15.924 15.158 ( -9.569 -1.319 -2.268) 9.922 15.456 ( 4.857 -1.471 -0.068) 5.075 19.973 ( -7.184 -8.016 2.253) 10.997 20.280 ( -26.867 -26.074 5.951) 37.909 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 5.674 6.657 -3.950) 9.597 3.064 ( 8.737 13.809 4.056) 16.836 3.518 ( 8.227 2.600 -7.426) 11.384 3.704 ( 0.101 11.002 1.162) 11.064 5.020 ( 9.177 5.931 2.586) 11.229 5.325 ( 15.323 7.570 6.314) 18.220 7.122 ( -7.240 -15.098 -3.485) 17.103 7.900 ( -24.733 5.061 6.190) 25.993 8.365 ( -23.515 -16.922 -5.796) 29.546 10.039 ( 16.240 -14.261 2.731) 21.785 10.716 ( 3.722 -1.477 2.030) 4.490 11.025 ( 5.946 6.883 -0.091) 9.096 12.516 ( 3.691 8.338 1.825) 9.299 12.744 ( 9.182 10.978 -3.840) 14.818 14.938 ( -11.921 -1.870 -4.463) 12.865 15.519 ( 4.335 -1.788 0.033) 4.689 19.610 ( -23.914 -19.551 -3.188) 31.053 19.818 ( -5.204 -6.800 5.613) 10.238 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -0.000 8.921 12.390) 15.267 2.439 ( -0.000 14.426 23.455) 27.537 2.736 ( 0.000 6.423 -11.792) 13.428 3.395 ( 0.000 6.907 -9.484) 11.732 4.060 ( -0.000 23.017 13.967) 26.923 5.124 ( 0.000 -10.679 -10.013) 14.639 8.071 ( 0.000 -17.952 -1.489) 18.013 8.919 ( 0.000 -13.498 -17.718) 22.274 9.662 ( 0.000 18.668 -13.882) 23.264 9.763 ( 0.000 -21.639 2.031) 21.734 9.862 ( -0.000 9.674 6.597) 11.709 11.325 ( 0.000 -5.678 -4.895) 7.497 11.791 ( -0.000 14.752 4.090) 15.309 11.980 ( -0.000 18.958 -0.896) 18.979 15.289 ( 0.000 -2.657 0.234) 2.667 15.359 ( -0.000 3.613 0.566) 3.657 20.367 ( -0.000 -15.189 2.623) 15.414 21.505 ( -0.000 -39.994 11.047) 41.491 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 2.185 7.696 9.062) 12.088 2.643 ( 3.273 9.776 15.920) 18.967 2.892 ( 7.950 15.293 -11.052) 20.475 3.465 ( 3.188 8.675 -7.254) 11.749 4.404 ( 8.244 19.119 14.664) 25.467 4.977 ( -4.158 -1.001 -11.637) 12.398 7.765 ( -10.821 -18.774 0.408) 21.673 8.894 ( 19.348 -22.739 -11.191) 31.885 9.391 ( -20.531 0.155 -0.173) 20.532 9.464 ( -16.006 -5.948 0.701) 17.090 10.330 ( 18.151 17.913 -6.895) 26.417 11.148 ( -8.964 -7.205 -2.873) 11.855 12.052 ( 10.208 13.941 0.895) 17.302 12.182 ( 3.085 15.432 -1.006) 15.770 15.281 ( 3.129 -5.078 0.464) 5.983 15.380 ( -2.264 3.473 0.446) 4.170 20.189 ( -4.160 -14.061 3.450) 15.064 21.026 ( -13.252 -37.909 7.687) 40.888 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 5.505 7.684 3.626) 10.124 2.888 ( 5.361 14.492 8.618) 17.693 3.145 ( 9.895 10.148 -7.819) 16.187 3.620 ( 5.129 11.043 -3.431) 12.651 4.777 ( 9.962 8.957 15.688) 20.630 4.932 ( 0.526 11.385 -12.900) 17.214 7.404 ( -9.817 -17.821 1.281) 20.386 8.812 ( -12.350 -9.733 2.111) 15.866 9.005 ( -12.415 -23.511 0.462) 26.592 9.316 ( 6.367 2.639 -5.475) 8.802 10.722 ( 9.712 18.179 -5.797) 21.410 10.904 ( -7.478 -10.595 -0.342) 12.973 12.366 ( 3.974 9.806 0.107) 10.581 12.383 ( 11.079 15.376 -1.709) 19.028 15.268 ( -1.460 -4.316 -0.080) 4.556 15.366 ( -0.057 0.440 0.132) 0.463 19.995 ( -5.054 -10.962 3.344) 12.525 20.404 ( -19.491 -32.610 2.701) 38.086 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 7.396 9.958 -1.582) 12.505 3.146 ( 3.442 16.565 5.189) 17.697 3.366 ( 9.951 5.019 -6.563) 12.934 3.808 ( 3.234 12.297 0.644) 12.732 4.960 ( 5.231 6.245 0.121) 8.147 5.185 ( 11.786 10.114 3.313) 15.880 7.091 ( -7.791 -15.018 -0.710) 16.934 8.425 ( -25.786 0.309 3.454) 26.018 8.521 ( -17.424 -20.582 -2.596) 27.091 9.533 ( 21.181 -10.089 -0.642) 23.470 10.675 ( -5.131 -11.745 1.412) 12.895 11.024 ( 7.392 14.338 -0.076) 16.132 12.512 ( 4.318 5.026 1.540) 6.803 12.719 ( 9.750 17.661 -2.412) 20.317 15.124 ( -10.757 -1.023 -1.963) 10.983 15.402 ( 5.175 -3.656 0.518) 6.357 19.762 ( -20.440 -23.816 -5.576) 31.877 19.836 ( -4.179 -10.252 6.345) 12.760 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -0.000 8.834 7.438) 11.548 2.674 ( -0.000 6.059 0.720) 6.102 3.033 ( -0.000 20.227 4.486) 20.719 3.479 ( 0.000 7.673 -8.398) 11.376 4.580 ( -0.000 17.602 14.768) 22.976 4.984 ( 0.000 6.264 -15.190) 16.431 7.698 ( 0.000 -18.987 1.891) 19.081 8.429 ( 0.000 -21.524 -12.634) 24.958 9.216 ( 0.000 -29.176 4.385) 29.503 10.098 ( 0.000 26.129 -12.188) 28.831 10.111 ( -0.000 9.034 7.072) 11.473 11.147 ( 0.000 -6.578 -7.363) 9.873 12.103 ( -0.000 13.474 4.066) 14.074 12.310 ( -0.000 15.358 -1.644) 15.446 15.186 ( 0.000 -8.274 1.272) 8.371 15.441 ( -0.000 3.995 0.695) 4.055 20.094 ( -0.000 -14.378 4.374) 15.029 20.773 ( 0.000 -38.651 3.720) 38.830 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 0.603 8.866 4.509) 9.965 2.848 ( 10.079 10.249 -2.826) 14.649 3.228 ( -0.774 15.308 6.652) 16.708 3.590 ( 6.748 8.267 -5.507) 12.008 4.807 ( 3.543 9.896 11.277) 15.416 5.027 ( -0.845 16.635 -14.043) 21.786 7.413 ( -10.102 -17.389 2.334) 20.245 8.367 ( 18.493 -22.539 -8.535) 30.378 8.900 ( -4.884 -28.592 4.144) 29.301 9.804 ( -27.736 16.337 1.029) 32.206 10.613 ( 16.805 13.104 -4.313) 21.742 10.980 ( -8.678 -4.547 -4.106) 10.622 12.329 ( 8.557 12.085 1.135) 14.851 12.457 ( 1.258 13.621 0.021) 13.679 15.136 ( 3.980 -10.041 1.865) 10.961 15.454 ( -3.304 3.566 0.290) 4.870 19.954 ( -2.234 -13.014 5.425) 14.276 20.323 ( -9.717 -34.241 -1.699) 35.634 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -0.000 7.198 4.797) 8.650 2.857 ( 0.000 14.026 -4.042) 14.597 3.416 ( -0.000 11.622 12.136) 16.803 3.564 ( 0.000 6.687 -8.375) 10.717 4.907 ( -0.000 10.154 3.361) 10.696 5.176 ( 0.000 19.838 -10.200) 22.307 7.367 ( -0.000 -16.971 5.677) 17.895 7.938 ( 0.000 -18.987 -10.671) 21.780 8.664 ( -0.000 -30.125 6.026) 30.722 10.258 ( -0.000 1.615 0.716) 1.767 10.510 ( 0.000 21.510 -5.685) 22.248 11.025 ( 0.000 -0.412 -3.116) 3.143 12.360 ( -0.000 9.595 2.118) 9.826 12.582 ( -0.000 13.141 0.339) 13.146 14.998 ( -0.000 -11.560 3.308) 12.024 15.519 ( -0.000 3.332 0.452) 3.363 19.854 ( -0.000 -16.806 8.832) 18.986 20.069 ( 0.000 -28.107 -8.092) 29.248 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -0.000 -0.000 17.475) 17.475 1.874 ( -0.000 -0.000 17.475) 17.475 2.968 ( -0.000 -0.000 26.897) 26.897 3.259 ( 0.000 0.000 -9.330) 9.330 3.259 ( 0.000 0.000 -9.330) 9.330 5.767 ( 0.000 0.000 -16.006) 16.006 8.469 ( 0.000 0.000 0.075) 0.075 8.469 ( 0.000 -0.000 0.075) 0.075 9.708 ( 0.000 0.000 -4.530) 4.530 9.708 ( 0.000 0.000 -4.530) 4.530 10.457 ( 0.000 0.000 -2.240) 2.240 11.389 ( -0.000 0.000 3.707) 3.707 11.389 ( -0.000 0.000 3.707) 3.707 11.395 ( -0.000 -0.000 1.925) 1.925 15.284 ( 0.000 -0.000 -0.313) 0.313 15.284 ( 0.000 0.000 -0.313) 0.313 20.734 ( -0.000 -0.000 0.181) 0.181 22.521 ( -0.000 -0.000 0.635) 0.635 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 5.819 3.360 13.215) 14.826 2.062 ( 9.810 5.664 17.410) 20.771 2.859 ( -5.194 -2.999 1.510) 6.184 3.242 ( 1.941 1.120 -6.481) 6.858 3.608 ( 21.282 12.287 6.580) 25.440 5.454 ( -18.306 -10.569 -8.971) 22.963 8.340 ( -9.411 -5.434 0.331) 10.872 8.699 ( 9.503 5.487 -7.417) 13.245 9.520 ( -4.527 -2.614 -0.659) 5.269 9.846 ( 8.826 5.096 -7.821) 12.847 10.246 ( -15.388 -8.884 -1.407) 17.824 11.305 ( -5.821 -3.361 6.467) 9.327 11.585 ( 13.882 8.015 1.995) 16.153 11.608 ( 13.189 7.615 -2.419) 15.420 15.292 ( 0.732 0.423 0.163) 0.861 15.311 ( 2.160 1.247 -0.562) 2.556 20.628 ( -8.688 -5.016 0.495) 10.044 22.220 ( -24.590 -14.197 5.068) 28.843 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 8.733 5.042 7.034) 12.295 2.356 ( 8.054 4.650 21.091) 23.051 2.886 ( 10.525 6.076 -15.441) 19.650 3.298 ( 4.183 2.415 -2.010) 5.232 4.150 ( 22.944 13.247 8.254) 27.750 5.039 ( -13.846 -7.994 -4.367) 16.574 8.070 ( -13.576 -7.838 -1.311) 15.731 8.603 ( -14.148 -8.168 8.692) 18.505 9.665 ( 12.449 7.188 -12.005) 18.729 9.827 ( -16.648 -9.612 -3.585) 19.555 10.027 ( 9.044 5.222 -8.142) 13.242 11.182 ( -6.855 -3.958 7.912) 11.192 11.901 ( 13.160 7.598 -5.958) 16.322 11.946 ( 15.775 9.108 2.204) 18.349 15.291 ( -1.506 -0.870 -0.041) 1.740 15.373 ( 3.246 1.874 -0.643) 3.803 20.383 ( -11.995 -6.926 0.926) 13.882 21.548 ( -34.266 -19.784 7.100) 40.199 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 8.562 4.943 0.403) 9.895 2.590 ( 8.304 4.794 13.316) 16.409 3.163 ( 15.978 9.225 -16.421) 24.700 3.412 ( 5.443 3.142 3.486) 7.186 4.685 ( 21.115 12.191 1.495) 24.427 4.846 ( -1.872 -1.081 4.298) 4.811 7.728 ( -15.147 -8.745 -3.581) 17.853 8.276 ( -17.133 -9.892 14.872) 24.750 9.264 ( -24.340 -14.053 -4.539) 28.469 10.077 ( 19.266 11.123 -7.654) 23.526 10.181 ( 6.228 3.596 -5.636) 9.137 11.069 ( -4.903 -2.830 6.908) 8.931 12.155 ( 10.864 6.272 -5.502) 13.699 12.293 ( 13.745 7.936 1.409) 15.933 15.200 ( -6.395 -3.692 -1.349) 7.507 15.448 ( 3.406 1.967 -0.584) 3.976 20.119 ( -10.938 -6.315 -0.252) 12.633 20.769 ( -34.596 -19.974 4.607) 40.213 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -0.000 5.577 10.615) 11.991 2.147 ( -0.000 16.000 11.799) 19.880 2.821 ( 0.000 -12.893 1.328) 12.961 3.252 ( 0.000 4.224 -7.453) 8.567 3.618 ( -0.000 24.601 7.732) 25.788 5.429 ( 0.000 -19.552 -7.412) 20.910 8.362 ( 0.000 -11.194 -1.617) 11.310 8.712 ( 0.000 20.014 -8.804) 21.865 9.576 ( 0.000 -9.992 -5.248) 11.286 9.718 ( -0.000 6.089 3.629) 7.088 10.229 ( 0.000 -19.276 0.182) 19.276 11.399 ( 0.000 -2.846 -2.067) 3.518 11.532 ( -0.000 12.054 4.486) 12.861 11.604 ( -0.000 17.170 0.206) 17.171 15.298 ( 0.000 0.929 -0.378) 1.003 15.302 ( -0.000 2.138 0.275) 2.155 20.629 ( 0.000 -10.051 0.426) 10.060 22.233 ( 0.000 -27.639 3.748) 27.892 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 4.536 6.499 5.982) 9.930 2.425 ( 5.326 17.752 14.019) 23.239 2.726 ( 3.442 -3.797 -9.142) 10.480 3.293 ( 1.933 6.279 -3.659) 7.521 4.019 ( 13.636 21.922 6.167) 26.543 5.125 ( -9.399 -14.604 -4.253) 17.880 8.115 ( -9.616 -15.986 -0.390) 18.660 8.935 ( -0.485 17.479 -4.797) 18.132 9.321 ( -1.879 -14.765 -2.111) 15.033 9.915 ( -9.307 -18.499 -0.575) 20.717 9.996 ( 9.672 11.891 -1.876) 15.442 11.273 ( -6.479 -5.412 1.412) 8.559 11.787 ( 10.107 12.585 -0.499) 16.149 11.858 ( 8.350 16.217 0.102) 18.240 15.322 ( -1.004 2.321 0.382) 2.557 15.326 ( 2.623 0.029 -0.384) 2.651 20.457 ( -6.651 -11.788 0.624) 13.549 21.769 ( -18.579 -32.574 4.071) 37.720 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 6.383 4.887 0.361) 8.047 2.660 ( 0.599 11.030 12.784) 16.896 2.907 ( 16.581 9.859 -13.809) 23.723 3.416 ( 3.930 8.469 1.424) 9.444 4.500 ( 16.640 17.944 -0.295) 24.474 4.887 ( -4.267 -5.185 2.273) 7.089 7.769 ( -10.130 -18.351 -0.251) 20.963 8.763 ( -29.303 9.938 11.587) 33.041 9.415 ( 3.791 -17.942 -4.126) 18.797 9.502 ( 8.037 -17.600 -6.565) 20.432 10.314 ( 6.536 21.389 -3.172) 22.589 11.109 ( -4.969 -8.962 4.135) 11.051 12.075 ( 8.663 13.676 -3.260) 16.513 12.169 ( 11.250 10.899 1.283) 15.716 15.285 ( -5.308 0.288 -0.386) 5.330 15.384 ( 4.295 -0.529 -0.356) 4.343 20.209 ( -8.835 -10.277 -0.237) 13.555 21.060 ( -26.546 -30.966 1.430) 40.812 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -0.000 8.817 3.768) 9.588 2.563 ( 0.000 13.478 -15.874) 20.824 2.691 ( -0.000 5.852 18.994) 19.875 3.314 ( 0.000 6.255 -4.963) 7.985 4.171 ( -0.000 25.712 4.948) 26.184 5.038 ( 0.000 -13.788 -4.646) 14.550 8.063 ( 0.000 -16.970 -0.038) 16.970 8.734 ( 0.000 -11.696 -15.349) 19.297 9.595 ( -0.000 14.997 0.680) 15.012 9.793 ( 0.000 -22.895 2.989) 23.089 9.940 ( -0.000 10.505 7.763) 13.062 11.262 ( 0.000 -7.116 -6.756) 9.812 11.841 ( -0.000 14.584 5.181) 15.477 11.967 ( -0.000 18.449 -1.570) 18.516 15.291 ( 0.000 -2.178 0.050) 2.178 15.366 ( -0.000 3.720 0.663) 3.779 20.384 ( 0.000 -14.018 0.753) 14.039 21.575 ( 0.000 -39.184 1.967) 39.233 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -0.000 -0.000 6.720) 6.720 2.009 ( -0.000 -0.000 6.720) 6.720 3.173 ( -0.000 -0.000 10.083) 10.083 3.184 ( 0.000 0.000 -3.982) 3.982 3.184 ( 0.000 0.000 -3.982) 3.982 5.640 ( 0.000 0.000 -6.461) 6.461 8.470 ( 0.000 0.000 0.028) 0.028 8.470 ( 0.000 0.000 0.028) 0.028 9.675 ( 0.000 -0.000 -1.556) 1.556 9.675 ( 0.000 0.000 -1.556) 1.556 10.441 ( 0.000 0.000 -0.755) 0.755 11.409 ( -0.000 -0.000 0.647) 0.647 11.416 ( -0.000 -0.000 1.264) 1.264 11.416 ( -0.000 0.000 1.264) 1.264 15.282 ( 0.000 0.000 -0.111) 0.111 15.282 ( 0.000 0.000 -0.111) 0.111 20.735 ( -0.000 -0.000 0.073) 0.073 22.526 ( -0.000 -0.000 0.217) 0.217 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 1.16e-06 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 4.994 2.883 1.422) 5.939 2.188 ( 13.124 7.577 4.663) 15.856 2.839 ( -11.015 -6.359 -2.876) 13.040 3.207 ( 2.917 1.684 0.465) 3.400 3.659 ( 22.269 12.857 1.042) 25.735 5.394 ( -16.727 -9.657 -1.426) 19.367 8.347 ( -9.775 -5.644 1.046) 11.336 8.662 ( 11.466 6.620 0.557) 13.252 9.532 ( -7.270 -4.197 2.742) 8.831 9.771 ( 7.395 4.269 -6.014) 10.444 10.234 ( -15.765 -9.102 -0.792) 18.222 11.364 ( -4.278 -2.470 4.436) 6.639 11.575 ( 11.329 6.541 -3.540) 13.552 11.601 ( 14.276 8.242 0.867) 16.508 15.295 ( 0.814 0.470 0.314) 0.991 15.306 ( 2.035 1.175 -0.460) 2.394 20.631 ( -8.527 -4.923 0.038) 9.846 22.250 ( -22.822 -13.177 0.564) 26.359 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/60750 10.0 5225.280 5225.280 16390.106 0.000 -0.000 -0.000 3/60750 20.0 1277.408 1277.408 1689.077 0.000 -0.000 -0.000 3/60750 30.0 428.562 428.562 394.860 0.000 -0.000 -0.000 3/60750 40.0 210.349 210.349 168.079 0.000 -0.000 -0.000 3/60750 50.0 126.738 126.738 95.206 0.000 -0.000 -0.000 3/60750 60.0 86.340 86.340 63.048 0.000 -0.000 -0.000 3/60750 70.0 63.825 63.825 45.949 0.000 -0.000 -0.000 3/60750 80.0 49.979 49.979 35.695 0.000 -0.000 -0.000 3/60750 90.0 40.821 40.821 29.016 0.000 -0.000 -0.000 3/60750 100.0 34.414 34.414 24.396 0.000 -0.000 -0.000 3/60750 110.0 29.726 29.726 21.050 0.000 -0.000 -0.000 3/60750 120.0 26.170 26.170 18.538 0.000 -0.000 -0.000 3/60750 130.0 23.390 23.390 16.596 0.000 -0.000 -0.000 3/60750 140.0 21.162 21.162 15.055 0.000 -0.000 -0.000 3/60750 150.0 19.339 19.339 13.807 0.000 -0.000 -0.000 3/60750 160.0 17.819 17.819 12.776 0.000 -0.000 -0.000 3/60750 170.0 16.533 16.533 11.911 0.000 -0.000 -0.000 3/60750 180.0 15.430 15.430 11.175 0.000 -0.000 -0.000 3/60750 190.0 14.474 14.474 10.539 0.000 -0.000 -0.000 3/60750 200.0 13.636 13.636 9.984 0.000 -0.000 -0.000 3/60750 210.0 12.895 12.895 9.494 0.000 -0.000 -0.000 3/60750 220.0 12.236 12.236 9.058 0.000 -0.000 -0.000 3/60750 230.0 11.644 11.644 8.667 0.000 -0.000 -0.000 3/60750 240.0 11.110 11.110 8.313 0.000 -0.000 -0.000 3/60750 250.0 10.626 10.626 7.991 0.000 -0.000 -0.000 3/60750 260.0 10.184 10.184 7.696 0.000 -0.000 -0.000 3/60750 270.0 9.780 9.780 7.425 0.000 -0.000 -0.000 3/60750 280.0 9.407 9.407 7.174 0.000 -0.000 -0.000 3/60750 290.0 9.064 9.064 6.941 0.000 -0.000 -0.000 3/60750 300.0 8.745 8.745 6.724 0.000 -0.000 -0.000 3/60750 310.0 8.449 8.449 6.521 0.000 -0.000 -0.000 3/60750 320.0 8.173 8.173 6.331 0.000 -0.000 -0.000 3/60750 330.0 7.916 7.916 6.153 0.000 -0.000 -0.000 3/60750 340.0 7.674 7.674 5.984 0.000 -0.000 -0.000 3/60750 350.0 7.447 7.447 5.825 0.000 -0.000 -0.000 3/60750 360.0 7.234 7.234 5.675 0.000 -0.000 -0.000 3/60750 370.0 7.033 7.033 5.532 0.000 -0.000 -0.000 3/60750 380.0 6.843 6.843 5.397 0.000 -0.000 -0.000 3/60750 390.0 6.663 6.663 5.268 0.000 -0.000 -0.000 3/60750 400.0 6.493 6.493 5.146 0.000 -0.000 -0.000 3/60750 410.0 6.331 6.331 5.029 0.000 -0.000 -0.000 3/60750 420.0 6.178 6.178 4.917 0.000 -0.000 -0.000 3/60750 430.0 6.032 6.032 4.810 0.000 -0.000 -0.000 3/60750 440.0 5.892 5.892 4.708 0.000 -0.000 -0.000 3/60750 450.0 5.759 5.759 4.610 0.000 -0.000 -0.000 3/60750 460.0 5.632 5.632 4.516 0.000 -0.000 -0.000 3/60750 470.0 5.511 5.511 4.425 0.000 -0.000 -0.000 3/60750 480.0 5.395 5.395 4.339 0.000 -0.000 -0.000 3/60750 490.0 5.283 5.283 4.255 0.000 -0.000 -0.000 3/60750 500.0 5.177 5.177 4.175 0.000 -0.000 -0.000 3/60750 510.0 5.074 5.074 4.098 0.000 -0.000 -0.000 3/60750 520.0 4.976 4.976 4.023 0.000 -0.000 -0.000 3/60750 530.0 4.881 4.881 3.951 0.000 -0.000 -0.000 3/60750 540.0 4.790 4.790 3.882 0.000 -0.000 -0.000 3/60750 550.0 4.702 4.702 3.815 0.000 -0.000 -0.000 3/60750 560.0 4.617 4.617 3.750 0.000 -0.000 -0.000 3/60750 570.0 4.536 4.536 3.688 0.000 -0.000 -0.000 3/60750 580.0 4.457 4.457 3.627 0.000 -0.000 -0.000 3/60750 590.0 4.381 4.381 3.568 0.000 -0.000 -0.000 3/60750 600.0 4.308 4.308 3.512 0.000 -0.000 -0.000 3/60750 610.0 4.237 4.237 3.457 0.000 -0.000 -0.000 3/60750 620.0 4.168 4.168 3.403 0.000 -0.000 -0.000 3/60750 630.0 4.102 4.102 3.351 0.000 -0.000 -0.000 3/60750 640.0 4.037 4.037 3.301 0.000 -0.000 -0.000 3/60750 650.0 3.975 3.975 3.253 0.000 -0.000 -0.000 3/60750 660.0 3.914 3.914 3.205 0.000 -0.000 -0.000 3/60750 670.0 3.856 3.856 3.159 0.000 -0.000 -0.000 3/60750 680.0 3.799 3.799 3.115 0.000 -0.000 -0.000 3/60750 690.0 3.744 3.744 3.071 0.000 -0.000 -0.000 3/60750 700.0 3.690 3.690 3.029 0.000 -0.000 -0.000 3/60750 710.0 3.638 3.638 2.988 0.000 -0.000 -0.000 3/60750 720.0 3.587 3.587 2.948 0.000 -0.000 -0.000 3/60750 730.0 3.538 3.538 2.909 0.000 -0.000 -0.000 3/60750 740.0 3.490 3.490 2.871 0.000 -0.000 -0.000 3/60750 750.0 3.443 3.443 2.833 0.000 -0.000 -0.000 3/60750 760.0 3.398 3.398 2.797 0.000 -0.000 -0.000 3/60750 770.0 3.354 3.354 2.762 0.000 -0.000 -0.000 3/60750 780.0 3.311 3.311 2.728 0.000 -0.000 -0.000 3/60750 790.0 3.269 3.269 2.694 0.000 -0.000 -0.000 3/60750 800.0 3.228 3.228 2.662 0.000 -0.000 -0.000 3/60750 810.0 3.188 3.188 2.630 0.000 -0.000 -0.000 3/60750 820.0 3.149 3.149 2.599 0.000 -0.000 -0.000 3/60750 830.0 3.111 3.111 2.568 0.000 -0.000 -0.000 3/60750 840.0 3.074 3.074 2.538 0.000 -0.000 -0.000 3/60750 850.0 3.037 3.037 2.509 0.000 -0.000 -0.000 3/60750 860.0 3.002 3.002 2.481 0.000 -0.000 -0.000 3/60750 870.0 2.968 2.968 2.453 0.000 -0.000 -0.000 3/60750 880.0 2.934 2.934 2.426 0.000 -0.000 -0.000 3/60750 890.0 2.901 2.901 2.399 0.000 -0.000 -0.000 3/60750 900.0 2.868 2.868 2.373 0.000 -0.000 -0.000 3/60750 910.0 2.837 2.837 2.348 0.000 -0.000 -0.000 3/60750 920.0 2.806 2.806 2.323 0.000 -0.000 -0.000 3/60750 930.0 2.776 2.776 2.298 0.000 -0.000 -0.000 3/60750 940.0 2.746 2.746 2.275 0.000 -0.000 -0.000 3/60750 950.0 2.717 2.717 2.251 0.000 -0.000 -0.000 3/60750 960.0 2.689 2.689 2.228 0.000 -0.000 -0.000 3/60750 970.0 2.661 2.661 2.206 0.000 -0.000 -0.000 3/60750 980.0 2.634 2.634 2.184 0.000 -0.000 -0.000 3/60750 990.0 2.607 2.607 2.162 0.000 -0.000 -0.000 3/60750 1000.0 2.581 2.581 2.141 0.000 -0.000 -0.000 3/60750 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:30:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|