----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:00:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.970454709624710 1.137642557027790 6.938272533333326 b -1.970454709624706 1.137642557027790 6.938272533333326 c 0.000000000000002 -2.275285114055583 6.938272533333326 Atomic positions (fractional): *1 Bi 0.59618347769466 0.59618347769466 0.59618347769466 208.980 2 Bi 0.40381652230534 0.40381652230534 0.40381652230534 208.980 *3 O 0.29736083205689 0.29736083205689 0.29736083205689 15.999 4 O 0.70263916794311 0.70263916794311 0.70263916794311 15.999 *5 F 0.11517621944139 0.11517621944139 0.11517621944139 18.998 6 F 0.88482378055861 0.88482378055861 0.88482378055861 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.940909419249417 0.000000000000000 0.000000000000000 b -1.970454709624708 3.412927671083373 0.000000000000000 c 0.000000000000000 0.000000000000000 20.814817600000001 Atomic positions (fractional): *1 Bi 0.33333333333333 0.66666666666667 0.26285014436132 208.980 > 1 2 Bi 0.33333333333333 0.66666666666667 0.07048318897201 208.980 > 2 3 Bi 0.00000000000000 0.00000000000000 0.59618347769466 208.980 > 1 4 Bi 0.00000000000000 0.00000000000000 0.40381652230534 208.980 > 2 5 Bi 0.66666666666667 0.33333333333333 0.92951681102799 208.980 > 1 6 Bi 0.66666666666667 0.33333333333333 0.73714985563868 208.980 > 2 *7 O 0.00000000000000 0.00000000000000 0.29736083205689 15.999 > 3 8 O 0.66666666666667 0.33333333333333 0.03597250127644 15.999 > 4 9 O 0.66666666666667 0.33333333333333 0.63069416539023 15.999 > 3 10 O 0.33333333333333 0.66666666666667 0.36930583460977 15.999 > 4 11 O 0.33333333333333 0.66666666666667 0.96402749872356 15.999 > 3 12 O 0.00000000000000 0.00000000000000 0.70263916794311 15.999 > 4 *13 F 0.00000000000000 0.00000000000000 0.11517621944139 18.998 > 5 14 F 0.66666666666667 0.33333333333333 0.21815711389194 18.998 > 6 15 F 0.66666666666667 0.33333333333333 0.44850955277472 18.998 > 5 16 F 0.33333333333333 0.66666666666667 0.55149044722528 18.998 > 6 17 F 0.33333333333333 0.66666666666667 0.78184288610806 18.998 > 5 18 F 0.00000000000000 0.00000000000000 0.88482378055861 18.998 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.881818838498834 0.000000000000000 0.000000000000000 b -3.940909419249416 6.825855342166746 0.000000000000000 c 0.000000000000000 0.000000000000000 20.814817600000001 Atomic positions (fractional): *1 Bi 0.16666666666667 0.33333333333333 0.26285014436132 208.980 > 1 2 Bi 0.66666666666667 0.33333333333333 0.26285014436132 208.980 > 1 3 Bi 0.16666666666667 0.83333333333333 0.26285014436132 208.980 > 1 4 Bi 0.66666666666667 0.83333333333333 0.26285014436132 208.980 > 1 5 Bi 0.16666666666667 0.33333333333333 0.07048318897201 208.980 > 2 6 Bi 0.66666666666667 0.33333333333333 0.07048318897201 208.980 > 2 7 Bi 0.16666666666667 0.83333333333333 0.07048318897201 208.980 > 2 8 Bi 0.66666666666667 0.83333333333333 0.07048318897201 208.980 > 2 9 Bi 0.00000000000000 0.00000000000000 0.59618347769466 208.980 > 1 10 Bi 0.50000000000000 0.00000000000000 0.59618347769466 208.980 > 1 11 Bi 0.00000000000000 0.50000000000000 0.59618347769466 208.980 > 1 12 Bi 0.50000000000000 0.50000000000000 0.59618347769466 208.980 > 1 13 Bi 0.00000000000000 0.00000000000000 0.40381652230534 208.980 > 2 14 Bi 0.50000000000000 0.00000000000000 0.40381652230534 208.980 > 2 15 Bi 0.00000000000000 0.50000000000000 0.40381652230534 208.980 > 2 16 Bi 0.50000000000000 0.50000000000000 0.40381652230534 208.980 > 2 17 Bi 0.33333333333333 0.16666666666667 0.92951681102799 208.980 > 1 18 Bi 0.83333333333333 0.16666666666667 0.92951681102799 208.980 > 1 19 Bi 0.33333333333333 0.66666666666667 0.92951681102799 208.980 > 1 20 Bi 0.83333333333333 0.66666666666667 0.92951681102799 208.980 > 1 21 Bi 0.33333333333333 0.16666666666667 0.73714985563868 208.980 > 2 22 Bi 0.83333333333333 0.16666666666667 0.73714985563868 208.980 > 2 23 Bi 0.33333333333333 0.66666666666667 0.73714985563868 208.980 > 2 24 Bi 0.83333333333333 0.66666666666667 0.73714985563868 208.980 > 2 *25 O 0.00000000000000 0.00000000000000 0.29736083205689 15.999 > 3 26 O 0.50000000000000 0.00000000000000 0.29736083205689 15.999 > 3 27 O 0.00000000000000 0.50000000000000 0.29736083205689 15.999 > 3 28 O 0.50000000000000 0.50000000000000 0.29736083205689 15.999 > 3 29 O 0.33333333333333 0.16666666666667 0.03597250127644 15.999 > 4 30 O 0.83333333333333 0.16666666666667 0.03597250127644 15.999 > 4 31 O 0.33333333333333 0.66666666666667 0.03597250127644 15.999 > 4 32 O 0.83333333333333 0.66666666666667 0.03597250127644 15.999 > 4 33 O 0.33333333333333 0.16666666666667 0.63069416539023 15.999 > 3 34 O 0.83333333333333 0.16666666666667 0.63069416539023 15.999 > 3 35 O 0.33333333333333 0.66666666666667 0.63069416539023 15.999 > 3 36 O 0.83333333333333 0.66666666666667 0.63069416539023 15.999 > 3 37 O 0.16666666666667 0.33333333333333 0.36930583460977 15.999 > 4 38 O 0.66666666666667 0.33333333333333 0.36930583460977 15.999 > 4 39 O 0.16666666666667 0.83333333333333 0.36930583460977 15.999 > 4 40 O 0.66666666666667 0.83333333333333 0.36930583460977 15.999 > 4 41 O 0.16666666666667 0.33333333333333 0.96402749872356 15.999 > 3 42 O 0.66666666666667 0.33333333333333 0.96402749872356 15.999 > 3 43 O 0.16666666666667 0.83333333333333 0.96402749872356 15.999 > 3 44 O 0.66666666666667 0.83333333333333 0.96402749872356 15.999 > 3 45 O 0.00000000000000 0.00000000000000 0.70263916794311 15.999 > 4 46 O 0.50000000000000 0.00000000000000 0.70263916794311 15.999 > 4 47 O 0.00000000000000 0.50000000000000 0.70263916794311 15.999 > 4 48 O 0.50000000000000 0.50000000000000 0.70263916794311 15.999 > 4 *49 F 0.00000000000000 0.00000000000000 0.11517621944139 18.998 > 5 50 F 0.50000000000000 0.00000000000000 0.11517621944139 18.998 > 5 51 F 0.00000000000000 0.50000000000000 0.11517621944139 18.998 > 5 52 F 0.50000000000000 0.50000000000000 0.11517621944139 18.998 > 5 53 F 0.33333333333333 0.16666666666667 0.21815711389194 18.998 > 6 54 F 0.83333333333333 0.16666666666667 0.21815711389194 18.998 > 6 55 F 0.33333333333333 0.66666666666667 0.21815711389194 18.998 > 6 56 F 0.83333333333333 0.66666666666667 0.21815711389194 18.998 > 6 57 F 0.33333333333333 0.16666666666667 0.44850955277472 18.998 > 5 58 F 0.83333333333333 0.16666666666667 0.44850955277472 18.998 > 5 59 F 0.33333333333333 0.66666666666667 0.44850955277472 18.998 > 5 60 F 0.83333333333333 0.66666666666667 0.44850955277472 18.998 > 5 61 F 0.16666666666667 0.33333333333333 0.55149044722528 18.998 > 6 62 F 0.66666666666667 0.33333333333333 0.55149044722528 18.998 > 6 63 F 0.16666666666667 0.83333333333333 0.55149044722528 18.998 > 6 64 F 0.66666666666667 0.83333333333333 0.55149044722528 18.998 > 6 65 F 0.16666666666667 0.33333333333333 0.78184288610806 18.998 > 5 66 F 0.66666666666667 0.33333333333333 0.78184288610806 18.998 > 5 67 F 0.16666666666667 0.83333333333333 0.78184288610806 18.998 > 5 68 F 0.66666666666667 0.83333333333333 0.78184288610806 18.998 > 5 69 F 0.00000000000000 0.00000000000000 0.88482378055861 18.998 > 6 70 F 0.50000000000000 0.00000000000000 0.88482378055861 18.998 > 6 71 F 0.00000000000000 0.50000000000000 0.88482378055861 18.998 > 6 72 F 0.50000000000000 0.50000000000000 0.88482378055861 18.998 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9021106 0.0000000 0.0000000 0.0000000 4.9021106 0.0000000 0.0000000 0.0000000 3.9811469 -------------------------- Born effective charges -------------------------- 1 Bi 4.7908083 0.0000000 0.0000000 0.0000000 4.7908083 0.0000000 0.0000000 0.0000000 2.8548189 2 Bi 4.7908083 0.0000000 0.0000000 0.0000000 4.7908083 0.0000000 0.0000000 0.0000000 2.8548189 3 O -2.6193869 0.0000000 0.0000000 0.0000000 -2.6193869 0.0000000 0.0000000 0.0000000 -1.7741710 4 O -2.6193869 0.0000000 0.0000000 0.0000000 -2.6193869 0.0000000 0.0000000 0.0000000 -1.7741710 5 F -2.1714214 0.0000000 0.0000000 0.0000000 -2.1714214 0.0000000 0.0000000 0.0000000 -1.0806480 6 F -2.1714214 0.0000000 0.0000000 0.0000000 -2.1714214 0.0000000 0.0000000 0.0000000 -1.0806480 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 294 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 80 / 80 - Time: 0.086 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.091 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 294 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), data: True Max drift after symmetrization by symfc projector: 0.00000000 (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 23:00:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:00:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.970454709624710 1.137642557027790 6.938272533333326 b -1.970454709624706 1.137642557027790 6.938272533333326 c 0.000000000000002 -2.275285114055583 6.938272533333326 Atomic positions (fractional): 1 Bi 0.59618347769466 0.59618347769466 0.59618347769466 208.980 2 Bi 0.40381652230534 0.40381652230534 0.40381652230534 208.980 3 O 0.29736083205689 0.29736083205689 0.29736083205689 15.999 4 O 0.70263916794311 0.70263916794311 0.70263916794311 15.999 5 F 0.11517621944139 0.11517621944139 0.11517621944139 18.998 6 F 0.88482378055861 0.88482378055861 0.88482378055861 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.881818838498834 0.000000000000000 0.000000000000000 b -3.940909419249416 6.825855342166746 0.000000000000000 c 0.000000000000000 0.000000000000000 20.814817600000001 Atomic positions (fractional): 1 Bi 0.16666666666667 0.33333333333333 0.26285014436132 208.980 > 1 2 Bi 0.66666666666667 0.33333333333333 0.26285014436132 208.980 > 1 3 Bi 0.16666666666667 0.83333333333333 0.26285014436132 208.980 > 1 4 Bi 0.66666666666667 0.83333333333333 0.26285014436132 208.980 > 1 5 Bi 0.16666666666667 0.33333333333333 0.07048318897201 208.980 > 5 6 Bi 0.66666666666667 0.33333333333333 0.07048318897201 208.980 > 5 7 Bi 0.16666666666667 0.83333333333333 0.07048318897201 208.980 > 5 8 Bi 0.66666666666667 0.83333333333333 0.07048318897201 208.980 > 5 9 Bi 0.00000000000000 0.00000000000000 0.59618347769466 208.980 > 1 10 Bi 0.50000000000000 0.00000000000000 0.59618347769466 208.980 > 1 11 Bi 0.00000000000000 0.50000000000000 0.59618347769466 208.980 > 1 12 Bi 0.50000000000000 0.50000000000000 0.59618347769466 208.980 > 1 13 Bi 0.00000000000000 0.00000000000000 0.40381652230534 208.980 > 5 14 Bi 0.50000000000000 0.00000000000000 0.40381652230534 208.980 > 5 15 Bi 0.00000000000000 0.50000000000000 0.40381652230534 208.980 > 5 16 Bi 0.50000000000000 0.50000000000000 0.40381652230534 208.980 > 5 17 Bi 0.33333333333333 0.16666666666667 0.92951681102799 208.980 > 1 18 Bi 0.83333333333333 0.16666666666667 0.92951681102799 208.980 > 1 19 Bi 0.33333333333333 0.66666666666667 0.92951681102799 208.980 > 1 20 Bi 0.83333333333333 0.66666666666667 0.92951681102799 208.980 > 1 21 Bi 0.33333333333333 0.16666666666667 0.73714985563868 208.980 > 5 22 Bi 0.83333333333333 0.16666666666667 0.73714985563868 208.980 > 5 23 Bi 0.33333333333333 0.66666666666667 0.73714985563868 208.980 > 5 24 Bi 0.83333333333333 0.66666666666667 0.73714985563868 208.980 > 5 25 O 0.00000000000000 0.00000000000000 0.29736083205689 15.999 > 25 26 O 0.50000000000000 0.00000000000000 0.29736083205689 15.999 > 25 27 O 0.00000000000000 0.50000000000000 0.29736083205689 15.999 > 25 28 O 0.50000000000000 0.50000000000000 0.29736083205689 15.999 > 25 29 O 0.33333333333333 0.16666666666667 0.03597250127644 15.999 > 29 30 O 0.83333333333333 0.16666666666667 0.03597250127644 15.999 > 29 31 O 0.33333333333333 0.66666666666667 0.03597250127644 15.999 > 29 32 O 0.83333333333333 0.66666666666667 0.03597250127644 15.999 > 29 33 O 0.33333333333333 0.16666666666667 0.63069416539023 15.999 > 25 34 O 0.83333333333333 0.16666666666667 0.63069416539023 15.999 > 25 35 O 0.33333333333333 0.66666666666667 0.63069416539023 15.999 > 25 36 O 0.83333333333333 0.66666666666667 0.63069416539023 15.999 > 25 37 O 0.16666666666667 0.33333333333333 0.36930583460977 15.999 > 29 38 O 0.66666666666667 0.33333333333333 0.36930583460977 15.999 > 29 39 O 0.16666666666667 0.83333333333333 0.36930583460977 15.999 > 29 40 O 0.66666666666667 0.83333333333333 0.36930583460977 15.999 > 29 41 O 0.16666666666667 0.33333333333333 0.96402749872356 15.999 > 25 42 O 0.66666666666667 0.33333333333333 0.96402749872356 15.999 > 25 43 O 0.16666666666667 0.83333333333333 0.96402749872356 15.999 > 25 44 O 0.66666666666667 0.83333333333333 0.96402749872356 15.999 > 25 45 O 0.00000000000000 0.00000000000000 0.70263916794311 15.999 > 29 46 O 0.50000000000000 0.00000000000000 0.70263916794311 15.999 > 29 47 O 0.00000000000000 0.50000000000000 0.70263916794311 15.999 > 29 48 O 0.50000000000000 0.50000000000000 0.70263916794311 15.999 > 29 49 F 0.00000000000000 0.00000000000000 0.11517621944139 18.998 > 49 50 F 0.50000000000000 0.00000000000000 0.11517621944139 18.998 > 49 51 F 0.00000000000000 0.50000000000000 0.11517621944139 18.998 > 49 52 F 0.50000000000000 0.50000000000000 0.11517621944139 18.998 > 49 53 F 0.33333333333333 0.16666666666667 0.21815711389194 18.998 > 53 54 F 0.83333333333333 0.16666666666667 0.21815711389194 18.998 > 53 55 F 0.33333333333333 0.66666666666667 0.21815711389194 18.998 > 53 56 F 0.83333333333333 0.66666666666667 0.21815711389194 18.998 > 53 57 F 0.33333333333333 0.16666666666667 0.44850955277472 18.998 > 49 58 F 0.83333333333333 0.16666666666667 0.44850955277472 18.998 > 49 59 F 0.33333333333333 0.66666666666667 0.44850955277472 18.998 > 49 60 F 0.83333333333333 0.66666666666667 0.44850955277472 18.998 > 49 61 F 0.16666666666667 0.33333333333333 0.55149044722528 18.998 > 53 62 F 0.66666666666667 0.33333333333333 0.55149044722528 18.998 > 53 63 F 0.16666666666667 0.83333333333333 0.55149044722528 18.998 > 53 64 F 0.66666666666667 0.83333333333333 0.55149044722528 18.998 > 53 65 F 0.16666666666667 0.33333333333333 0.78184288610806 18.998 > 49 66 F 0.66666666666667 0.33333333333333 0.78184288610806 18.998 > 49 67 F 0.16666666666667 0.83333333333333 0.78184288610806 18.998 > 49 68 F 0.66666666666667 0.83333333333333 0.78184288610806 18.998 > 49 69 F 0.00000000000000 0.00000000000000 0.88482378055861 18.998 > 53 70 F 0.50000000000000 0.00000000000000 0.88482378055861 18.998 > 53 71 F 0.00000000000000 0.50000000000000 0.88482378055861 18.998 > 53 72 F 0.50000000000000 0.50000000000000 0.88482378055861 18.998 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9021106 0.0000000 0.0000000 0.0000000 4.9021106 0.0000000 0.0000000 0.0000000 3.9811469 -------------------------- Born effective charges -------------------------- 1 Bi 4.7908083 0.0000000 0.0000000 0.0000000 4.7908083 0.0000000 0.0000000 0.0000000 2.8548189 2 Bi 4.7908083 0.0000000 0.0000000 0.0000000 4.7908083 0.0000000 0.0000000 0.0000000 2.8548189 3 O -2.6193869 0.0000000 0.0000000 0.0000000 -2.6193869 0.0000000 0.0000000 0.0000000 -1.7741710 4 O -2.6193869 0.0000000 0.0000000 0.0000000 -2.6193869 0.0000000 0.0000000 0.0000000 -1.7741710 5 F -2.1714214 0.0000000 0.0000000 0.0000000 -2.1714214 0.0000000 0.0000000 0.0000000 -1.0806480 6 F -2.1714214 0.0000000 0.0000000 0.0000000 -2.1714214 0.0000000 0.0000000 0.0000000 -1.0806480 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (yzy) 0.00000004 (yzy) 0.00000004 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:00:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:00:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.970454709624710 1.137642557027790 6.938272533333326 b -1.970454709624706 1.137642557027790 6.938272533333326 c 0.000000000000002 -2.275285114055583 6.938272533333326 Atomic positions (fractional): 1 Bi 0.59618347769466 0.59618347769466 0.59618347769466 208.980 2 Bi 0.40381652230534 0.40381652230534 0.40381652230534 208.980 3 O 0.29736083205689 0.29736083205689 0.29736083205689 15.999 4 O 0.70263916794311 0.70263916794311 0.70263916794311 15.999 5 F 0.11517621944139 0.11517621944139 0.11517621944139 18.998 6 F 0.88482378055861 0.88482378055861 0.88482378055861 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.881818838498834 0.000000000000000 0.000000000000000 b -3.940909419249416 6.825855342166746 0.000000000000000 c 0.000000000000000 0.000000000000000 20.814817600000001 Atomic positions (fractional): 1 Bi 0.16666666666667 0.33333333333333 0.26285014436132 208.980 > 1 2 Bi 0.66666666666667 0.33333333333333 0.26285014436132 208.980 > 1 3 Bi 0.16666666666667 0.83333333333333 0.26285014436132 208.980 > 1 4 Bi 0.66666666666667 0.83333333333333 0.26285014436132 208.980 > 1 5 Bi 0.16666666666667 0.33333333333333 0.07048318897201 208.980 > 5 6 Bi 0.66666666666667 0.33333333333333 0.07048318897201 208.980 > 5 7 Bi 0.16666666666667 0.83333333333333 0.07048318897201 208.980 > 5 8 Bi 0.66666666666667 0.83333333333333 0.07048318897201 208.980 > 5 9 Bi 0.00000000000000 0.00000000000000 0.59618347769466 208.980 > 1 10 Bi 0.50000000000000 0.00000000000000 0.59618347769466 208.980 > 1 11 Bi 0.00000000000000 0.50000000000000 0.59618347769466 208.980 > 1 12 Bi 0.50000000000000 0.50000000000000 0.59618347769466 208.980 > 1 13 Bi 0.00000000000000 0.00000000000000 0.40381652230534 208.980 > 5 14 Bi 0.50000000000000 0.00000000000000 0.40381652230534 208.980 > 5 15 Bi 0.00000000000000 0.50000000000000 0.40381652230534 208.980 > 5 16 Bi 0.50000000000000 0.50000000000000 0.40381652230534 208.980 > 5 17 Bi 0.33333333333333 0.16666666666667 0.92951681102799 208.980 > 1 18 Bi 0.83333333333333 0.16666666666667 0.92951681102799 208.980 > 1 19 Bi 0.33333333333333 0.66666666666667 0.92951681102799 208.980 > 1 20 Bi 0.83333333333333 0.66666666666667 0.92951681102799 208.980 > 1 21 Bi 0.33333333333333 0.16666666666667 0.73714985563868 208.980 > 5 22 Bi 0.83333333333333 0.16666666666667 0.73714985563868 208.980 > 5 23 Bi 0.33333333333333 0.66666666666667 0.73714985563868 208.980 > 5 24 Bi 0.83333333333333 0.66666666666667 0.73714985563868 208.980 > 5 25 O 0.00000000000000 0.00000000000000 0.29736083205689 15.999 > 25 26 O 0.50000000000000 0.00000000000000 0.29736083205689 15.999 > 25 27 O 0.00000000000000 0.50000000000000 0.29736083205689 15.999 > 25 28 O 0.50000000000000 0.50000000000000 0.29736083205689 15.999 > 25 29 O 0.33333333333333 0.16666666666667 0.03597250127644 15.999 > 29 30 O 0.83333333333333 0.16666666666667 0.03597250127644 15.999 > 29 31 O 0.33333333333333 0.66666666666667 0.03597250127644 15.999 > 29 32 O 0.83333333333333 0.66666666666667 0.03597250127644 15.999 > 29 33 O 0.33333333333333 0.16666666666667 0.63069416539023 15.999 > 25 34 O 0.83333333333333 0.16666666666667 0.63069416539023 15.999 > 25 35 O 0.33333333333333 0.66666666666667 0.63069416539023 15.999 > 25 36 O 0.83333333333333 0.66666666666667 0.63069416539023 15.999 > 25 37 O 0.16666666666667 0.33333333333333 0.36930583460977 15.999 > 29 38 O 0.66666666666667 0.33333333333333 0.36930583460977 15.999 > 29 39 O 0.16666666666667 0.83333333333333 0.36930583460977 15.999 > 29 40 O 0.66666666666667 0.83333333333333 0.36930583460977 15.999 > 29 41 O 0.16666666666667 0.33333333333333 0.96402749872356 15.999 > 25 42 O 0.66666666666667 0.33333333333333 0.96402749872356 15.999 > 25 43 O 0.16666666666667 0.83333333333333 0.96402749872356 15.999 > 25 44 O 0.66666666666667 0.83333333333333 0.96402749872356 15.999 > 25 45 O 0.00000000000000 0.00000000000000 0.70263916794311 15.999 > 29 46 O 0.50000000000000 0.00000000000000 0.70263916794311 15.999 > 29 47 O 0.00000000000000 0.50000000000000 0.70263916794311 15.999 > 29 48 O 0.50000000000000 0.50000000000000 0.70263916794311 15.999 > 29 49 F 0.00000000000000 0.00000000000000 0.11517621944139 18.998 > 49 50 F 0.50000000000000 0.00000000000000 0.11517621944139 18.998 > 49 51 F 0.00000000000000 0.50000000000000 0.11517621944139 18.998 > 49 52 F 0.50000000000000 0.50000000000000 0.11517621944139 18.998 > 49 53 F 0.33333333333333 0.16666666666667 0.21815711389194 18.998 > 53 54 F 0.83333333333333 0.16666666666667 0.21815711389194 18.998 > 53 55 F 0.33333333333333 0.66666666666667 0.21815711389194 18.998 > 53 56 F 0.83333333333333 0.66666666666667 0.21815711389194 18.998 > 53 57 F 0.33333333333333 0.16666666666667 0.44850955277472 18.998 > 49 58 F 0.83333333333333 0.16666666666667 0.44850955277472 18.998 > 49 59 F 0.33333333333333 0.66666666666667 0.44850955277472 18.998 > 49 60 F 0.83333333333333 0.66666666666667 0.44850955277472 18.998 > 49 61 F 0.16666666666667 0.33333333333333 0.55149044722528 18.998 > 53 62 F 0.66666666666667 0.33333333333333 0.55149044722528 18.998 > 53 63 F 0.16666666666667 0.83333333333333 0.55149044722528 18.998 > 53 64 F 0.66666666666667 0.83333333333333 0.55149044722528 18.998 > 53 65 F 0.16666666666667 0.33333333333333 0.78184288610806 18.998 > 49 66 F 0.66666666666667 0.33333333333333 0.78184288610806 18.998 > 49 67 F 0.16666666666667 0.83333333333333 0.78184288610806 18.998 > 49 68 F 0.66666666666667 0.83333333333333 0.78184288610806 18.998 > 49 69 F 0.00000000000000 0.00000000000000 0.88482378055861 18.998 > 53 70 F 0.50000000000000 0.00000000000000 0.88482378055861 18.998 > 53 71 F 0.00000000000000 0.50000000000000 0.88482378055861 18.998 > 53 72 F 0.50000000000000 0.50000000000000 0.88482378055861 18.998 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9021106 0.0000000 0.0000000 0.0000000 4.9021106 0.0000000 0.0000000 0.0000000 3.9811469 -------------------------- Born effective charges -------------------------- 1 Bi 4.7908083 0.0000000 0.0000000 0.0000000 4.7908083 0.0000000 0.0000000 0.0000000 2.8548189 2 Bi 4.7908083 0.0000000 0.0000000 0.0000000 4.7908083 0.0000000 0.0000000 0.0000000 2.8548189 3 O -2.6193869 0.0000000 0.0000000 0.0000000 -2.6193869 0.0000000 0.0000000 0.0000000 -1.7741710 4 O -2.6193869 0.0000000 0.0000000 0.0000000 -2.6193869 0.0000000 0.0000000 0.0000000 -1.7741710 5 F -2.1714214 0.0000000 0.0000000 0.0000000 -2.1714214 0.0000000 0.0000000 0.0000000 -1.0806480 6 F -2.1714214 0.0000000 0.0000000 0.0000000 -2.1714214 0.0000000 0.0000000 0.0000000 -1.0806480 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (yzy) 0.00000004 (yzy) 0.00000004 (yyz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.92, Number of G-points: 313, Lambda: 0.20 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: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 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 1.817 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 6.878 ( 0.000 0.000 0.000) 0.000 10.159 ( 0.000 0.000 0.000) 0.000 10.159 ( 0.000 0.000 0.000) 0.000 11.924 ( 0.000 0.000 0.000) 0.000 11.924 ( 0.000 0.000 0.000) 0.000 14.378 ( 0.000 0.000 0.000) 0.000 15.338 ( 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: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 17.018 9.825 1.752) 19.728 0.650 ( 26.406 15.246 -0.023) 30.491 0.800 ( 34.543 19.943 -0.341) 39.888 1.838 ( 1.742 1.006 0.212) 2.022 2.046 ( 18.465 10.661 0.178) 21.323 4.159 ( 2.532 1.462 -0.918) 3.064 4.633 ( 9.237 5.333 3.737) 11.302 4.644 ( -2.952 -1.704 2.584) 4.277 5.725 ( 8.684 5.014 -4.815) 11.123 5.801 ( 13.417 7.746 0.696) 15.508 6.764 ( -9.670 -5.583 -0.242) 11.169 9.181 ( -4.022 -2.322 -7.900) 9.164 10.001 ( -14.041 -8.106 1.118) 16.251 11.826 ( -8.017 -4.629 -2.169) 9.508 11.869 ( -4.697 -2.712 -0.323) 5.433 13.450 ( 1.022 0.590 -90.593) 90.601 14.479 ( 9.285 5.361 -13.627) 17.339 15.385 ( -15.383 -8.882 63.248) 65.695 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 17.128 9.889 1.207) 19.815 1.155 ( 18.188 10.501 -0.761) 21.016 1.533 ( 30.095 17.376 -0.645) 34.757 1.890 ( 2.573 1.486 0.472) 3.009 2.553 ( 24.555 14.177 0.241) 28.355 4.240 ( 4.969 2.869 -1.535) 5.939 4.590 ( -2.580 -1.490 4.206) 5.154 4.949 ( 16.818 9.710 6.569) 20.501 5.966 ( 13.746 7.936 -8.381) 17.949 6.148 ( 15.146 8.745 -0.333) 17.493 6.471 ( -15.536 -8.970 1.310) 17.987 8.999 ( -10.570 -6.102 -3.719) 12.759 9.543 ( -26.626 -15.373 1.894) 30.803 11.579 ( -12.403 -7.161 -2.746) 14.583 11.724 ( -7.584 -4.379 -0.446) 8.768 13.116 ( -12.452 -7.189 -33.426) 36.387 14.644 ( 7.893 4.557 -10.971) 14.263 15.192 ( -13.629 -7.869 25.689) 30.126 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 15.926 9.195 0.855) 18.410 1.472 ( 10.704 6.180 -1.119) 12.410 1.949 ( 2.340 1.351 0.655) 2.780 2.134 ( 23.058 13.313 -1.121) 26.649 3.089 ( 21.771 12.570 0.226) 25.140 4.372 ( 6.843 3.951 -0.855) 7.947 4.549 ( -2.364 -1.365 3.756) 4.643 5.393 ( 19.363 11.179 7.769) 23.670 6.098 ( -15.604 -9.009 -1.901) 18.118 6.249 ( 13.091 7.558 -10.073) 18.165 6.423 ( 6.919 3.995 2.006) 8.238 8.678 ( -17.227 -9.946 -0.773) 19.907 8.833 ( -36.286 -20.950 2.147) 41.954 11.285 ( -12.455 -7.191 -1.893) 14.506 11.552 ( -6.913 -3.991 -0.300) 7.988 12.694 ( -17.300 -9.988 -17.497) 26.555 14.710 ( -2.601 -1.502 1.472) 3.344 15.000 ( -5.207 -3.006 4.381) 7.440 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 14.568 8.411 0.952) 16.849 1.656 ( 6.394 3.692 -1.021) 7.453 1.995 ( 1.449 0.837 0.733) 1.827 2.559 ( 15.091 8.713 -1.427) 17.483 3.487 ( 12.407 7.163 0.095) 14.326 4.449 ( -3.631 -2.097 3.174) 5.259 4.579 ( 7.159 4.133 -0.051) 8.266 5.784 ( -10.901 -6.294 -0.826) 12.615 5.815 ( 14.438 8.336 6.889) 18.039 6.464 ( 8.756 5.056 -9.432) 13.828 6.466 ( -2.773 -1.601 -2.203) 3.887 7.955 ( -41.248 -23.814 1.871) 47.666 8.226 ( -22.796 -13.161 2.956) 26.488 11.010 ( -11.907 -6.874 -0.772) 13.771 11.440 ( -2.441 -1.409 0.005) 2.819 12.259 ( -15.969 -9.220 -11.697) 21.837 14.548 ( -10.530 -6.079 8.231) 14.683 14.999 ( 3.006 1.736 -4.816) 5.936 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 4.285 2.474 -0.810) 5.014 1.810 ( 13.149 7.592 1.434) 15.251 2.018 ( 0.357 0.206 0.780) 0.882 2.813 ( 8.048 4.646 -1.283) 9.381 3.625 ( 0.135 0.078 0.366) 0.398 4.307 ( -9.258 -5.345 2.184) 10.911 4.770 ( 8.959 5.172 0.169) 10.346 5.617 ( -4.167 -2.406 -1.782) 5.131 6.017 ( 1.320 0.762 2.232) 2.703 6.333 ( -6.262 -3.616 -5.060) 8.825 6.606 ( 4.248 2.453 -3.808) 6.210 7.052 ( -35.445 -20.464 0.471) 40.931 7.694 ( -25.009 -14.439 6.597) 29.622 10.718 ( -13.990 -8.077 -0.557) 16.164 11.446 ( 2.651 1.530 0.250) 3.071 11.947 ( -8.328 -4.808 -8.347) 12.734 14.351 ( -8.478 -4.895 5.966) 11.464 15.057 ( 2.988 1.725 -3.121) 4.653 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 2.946 1.701 -0.654) 3.464 2.017 ( -0.596 -0.344 0.756) 1.023 2.087 ( 10.629 6.137 1.791) 12.403 2.921 ( 1.935 1.117 -1.082) 2.482 3.566 ( -3.444 -1.988 2.337) 4.613 4.061 ( -12.017 -6.938 -1.489) 13.956 4.961 ( 7.381 4.261 -0.034) 8.523 5.527 ( -4.309 -2.488 -1.812) 5.295 5.937 ( -6.294 -3.634 -2.512) 7.690 6.169 ( -29.233 -16.878 3.123) 33.900 6.233 ( 0.181 0.105 -5.966) 5.969 6.872 ( 6.583 3.801 -1.691) 7.787 7.179 ( -21.860 -12.621 8.191) 26.537 10.403 ( -12.537 -7.238 -0.840) 14.501 11.534 ( 4.294 2.479 0.284) 4.967 11.819 ( -1.942 -1.121 -4.905) 5.394 14.212 ( -5.141 -2.968 3.429) 6.856 15.108 ( 2.038 1.177 -1.288) 2.683 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 1.262 0.729 -0.356) 1.500 2.002 ( -0.603 -0.348 0.414) 0.810 2.274 ( 4.726 2.729 1.024) 5.552 2.913 ( -1.251 -0.722 -0.688) 1.600 3.564 ( 2.588 1.494 3.804) 4.837 3.798 ( -9.107 -5.258 -3.766) 11.170 5.081 ( 2.942 1.698 -0.229) 3.405 5.426 ( -3.034 -1.751 -0.585) 3.551 5.684 ( -10.988 -6.344 -1.225) 12.747 5.818 ( -3.922 -2.265 1.082) 4.656 6.289 ( 4.390 2.535 -4.087) 6.511 6.808 ( -11.286 -6.516 5.231) 14.043 6.983 ( 2.785 1.608 -0.313) 3.231 10.195 ( -4.939 -2.852 -0.421) 5.719 11.611 ( 1.957 1.130 0.121) 2.263 11.792 ( -0.086 -0.049 -1.595) 1.598 14.142 ( -1.707 -0.986 1.108) 2.261 15.137 ( 0.728 0.420 -0.299) 0.892 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 0.000 19.426 2.472) 19.583 0.650 ( 0.000 30.615 -0.043) 30.615 0.806 ( 0.000 39.928 0.804) 39.936 1.838 ( 0.000 1.970 0.273) 1.989 2.049 ( 0.000 21.395 0.758) 21.409 4.155 ( -0.000 2.915 -1.822) 3.437 4.607 ( -0.000 9.349 -1.483) 9.466 4.623 ( -0.000 -4.289 -1.517) 4.549 5.757 ( 0.000 11.737 1.899) 11.890 5.777 ( -0.000 14.660 -4.314) 15.282 6.765 ( -0.000 -10.695 0.007) 10.695 9.132 ( -0.000 -1.192 -18.584) 18.622 9.994 ( -0.000 -16.627 -0.390) 16.632 11.836 ( -0.000 -8.873 0.332) 8.879 11.872 ( -0.000 -5.312 0.143) 5.314 13.020 ( -0.000 33.679 -143.775) 147.667 14.436 ( -0.000 7.343 -7.721) 10.656 15.672 ( 0.000 -29.161 79.314) 84.505 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 9.908 17.129 2.105) 19.900 1.065 ( 12.604 22.225 -0.379) 25.553 1.334 ( 17.083 30.792 0.209) 35.214 1.880 ( 1.747 2.822 0.456) 3.350 2.406 ( 13.522 23.822 0.803) 27.404 4.203 ( 2.469 4.018 -2.723) 5.446 4.539 ( 0.348 -4.891 2.234) 5.388 4.900 ( 13.446 14.727 1.003) 19.967 5.859 ( 2.963 12.827 -4.061) 13.777 6.058 ( 10.097 15.214 -3.028) 18.509 6.576 ( -8.239 -12.326 2.794) 15.087 9.020 ( -3.183 -8.385 -10.883) 14.102 9.694 ( -12.186 -23.523 0.534) 26.497 11.673 ( -8.962 -10.707 -1.575) 14.051 11.733 ( -4.505 -8.968 -1.438) 10.139 12.961 ( 5.449 0.468 -67.021) 67.244 14.533 ( 5.929 6.581 -10.820) 13.983 15.476 ( -16.080 -15.076 44.461) 49.625 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 12.421 14.319 1.545) 19.019 1.428 ( 8.168 15.952 -0.873) 17.942 1.896 ( 16.465 15.424 -0.263) 22.562 1.957 ( 5.513 8.200 0.370) 9.888 2.905 ( 17.939 20.257 0.610) 27.065 4.302 ( 5.312 4.596 -2.471) 7.446 4.522 ( 1.695 -5.069 3.212) 6.236 5.322 ( 14.049 20.077 5.422) 25.097 6.059 ( 9.042 6.593 -7.739) 13.606 6.188 ( -5.357 -6.623 -8.251) 11.859 6.438 ( 0.902 7.502 9.582) 12.203 8.782 ( -9.290 -13.049 -6.620) 17.332 9.138 ( -24.375 -26.524 1.431) 36.052 11.369 ( -11.033 -13.087 -2.242) 17.263 11.551 ( -4.139 -11.334 -1.811) 12.201 12.746 ( -6.839 -8.037 -32.109) 33.798 14.661 ( 6.590 3.398 -10.696) 13.014 15.180 ( -16.835 -9.975 26.069) 32.596 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 12.491 12.387 1.450) 17.651 1.658 ( 3.399 12.605 -0.929) 13.088 2.004 ( 1.062 3.764 0.523) 3.946 2.380 ( 16.504 11.989 -1.048) 20.426 3.361 ( 14.344 14.287 0.263) 20.247 4.436 ( 4.576 1.729 -0.212) 4.896 4.514 ( 2.448 -1.785 1.810) 3.529 5.757 ( 11.531 17.952 7.158) 22.505 5.880 ( -10.166 -11.154 -1.785) 15.197 6.287 ( 9.561 4.002 -8.573) 13.451 6.540 ( -2.009 5.302 1.788) 5.945 8.349 ( -28.826 -24.736 -1.423) 38.011 8.452 ( -20.943 -15.873 0.169) 26.279 11.053 ( -8.958 -15.818 -0.736) 18.194 11.392 ( -0.026 -10.560 -2.797) 10.924 12.406 ( -13.962 -7.070 -17.604) 23.554 14.699 ( -4.913 0.318 -2.854) 5.691 14.944 ( -4.191 -7.679 10.989) 14.046 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 11.230 10.048 1.983) 15.199 1.805 ( 0.969 12.056 -0.843) 12.124 2.050 ( -0.380 4.322 0.426) 4.359 2.698 ( 11.167 6.210 -1.243) 12.838 3.624 ( 3.750 6.660 -0.339) 7.651 4.399 ( -5.028 -4.033 2.755) 7.010 4.649 ( 8.952 2.502 0.545) 9.311 5.650 ( -5.597 -6.435 -0.919) 8.578 6.043 ( 2.856 8.247 4.278) 9.720 6.363 ( -1.732 -3.053 -4.119) 5.412 6.550 ( 2.447 5.990 -4.007) 7.611 7.510 ( -38.576 -20.734 -0.050) 43.795 7.980 ( -21.525 -13.255 2.218) 25.376 10.739 ( -7.988 -19.590 -0.117) 21.157 11.353 ( 6.821 -7.156 -3.225) 10.399 12.072 ( -13.589 -2.250 -10.177) 17.126 14.508 ( -12.598 -2.667 4.626) 13.683 14.948 ( 6.408 -5.621 0.679) 8.551 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 1.078 7.516 0.515) 7.610 1.979 ( 4.629 7.915 0.853) 9.209 2.102 ( 1.258 9.230 0.874) 9.356 2.877 ( 5.403 2.771 -1.144) 6.179 3.634 ( -4.647 0.929 0.088) 4.740 4.221 ( -12.040 -4.394 2.885) 13.137 4.833 ( 10.066 0.896 0.376) 10.113 5.544 ( -2.196 -3.727 -1.274) 4.510 6.042 ( -6.554 0.463 -0.278) 6.577 6.239 ( -4.183 -1.447 -5.057) 6.720 6.562 ( -21.796 -6.746 0.474) 22.822 6.842 ( -7.914 0.584 -1.739) 8.124 7.488 ( -23.822 -9.758 4.665) 26.162 10.407 ( -6.801 -20.974 -0.632) 22.058 11.443 ( 10.715 -4.384 -2.939) 11.945 11.861 ( -8.443 2.094 -5.047) 10.057 14.306 ( -8.955 -3.085 2.869) 9.897 15.006 ( 6.634 -6.245 0.825) 9.149 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -1.279 7.655 0.085) 7.762 2.025 ( -1.754 2.088 0.313) 2.745 2.289 ( 3.465 12.017 1.835) 12.641 2.928 ( -0.499 0.619 -1.271) 1.499 3.580 ( -1.483 1.734 1.979) 3.021 3.958 ( -14.249 -2.508 0.967) 14.500 4.986 ( 7.724 -1.618 -0.270) 7.896 5.459 ( -3.304 -2.911 -0.059) 4.404 5.904 ( -9.762 2.534 -4.003) 10.851 6.013 ( -24.070 -1.500 2.784) 24.277 6.238 ( 2.856 4.776 -5.225) 7.634 6.901 ( 0.869 -2.493 1.499) 3.036 7.067 ( -16.541 -0.921 2.619) 16.773 10.136 ( -1.552 -17.682 -0.667) 17.762 11.576 ( 10.732 -5.398 -2.349) 12.240 11.772 ( -5.644 4.748 -1.402) 7.507 14.171 ( -4.155 -2.796 0.525) 5.035 15.050 ( 5.726 -7.215 1.503) 9.334 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -4.203 7.281 -0.165) 8.409 2.012 ( -0.990 1.553 0.272) 1.861 2.385 ( -4.916 7.326 0.408) 8.832 2.913 ( -0.231 1.274 -0.435) 1.366 3.604 ( -2.430 0.879 -1.298) 2.892 3.796 ( -1.993 5.745 4.346) 7.474 5.045 ( 2.966 -4.892 -0.558) 5.748 5.411 ( -0.124 0.052 0.819) 0.830 5.757 ( -6.807 13.885 -4.517) 16.110 5.862 ( -3.627 5.007 5.201) 8.079 6.338 ( 0.713 3.967 -1.337) 4.247 6.750 ( -3.006 -0.259 -1.021) 3.186 7.015 ( -1.171 2.329 -0.805) 2.728 10.033 ( 7.293 -12.257 -0.040) 14.263 11.657 ( 8.533 -12.960 -0.577) 15.528 11.738 ( -6.237 10.614 0.089) 12.311 14.117 ( 0.402 -1.240 -1.690) 2.134 15.067 ( 4.461 -8.099 1.966) 9.453 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -5.592 4.121 -0.150) 6.948 2.024 ( -1.439 3.154 0.021) 3.467 2.275 ( -12.495 2.972 -1.044) 12.886 2.937 ( -0.039 0.787 0.622) 1.003 3.556 ( -0.699 3.316 -2.595) 4.268 3.978 ( 8.192 9.292 4.937) 13.335 4.985 ( -2.369 -7.745 -0.393) 8.108 5.465 ( 4.665 1.290 1.270) 5.004 5.908 ( 5.355 7.507 -2.983) 9.691 6.021 ( 10.075 23.686 4.727) 26.170 6.287 ( -4.736 -0.704 4.854) 6.818 6.871 ( 6.566 0.281 -5.078) 8.305 7.033 ( 4.194 11.810 -4.071) 13.177 10.141 ( 16.305 -7.493 0.501) 17.951 11.594 ( -1.258 -9.960 1.393) 10.135 11.784 ( 0.818 6.187 0.861) 6.300 14.149 ( 4.011 1.845 -3.857) 5.863 15.056 ( 3.170 -8.687 2.781) 9.656 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -6.795 1.478 -0.337) 6.962 1.974 ( -9.793 0.872 -0.228) 9.834 2.095 ( -8.202 4.006 -0.602) 9.148 2.888 ( -4.959 -3.281 1.035) 6.036 3.625 ( 2.213 5.110 -1.719) 5.828 4.216 ( 8.011 7.222 1.769) 10.930 4.829 ( -5.757 -8.639 -0.511) 10.394 5.558 ( 4.520 -0.297 1.656) 4.823 6.039 ( 2.164 5.209 -0.796) 5.697 6.292 ( 3.169 1.956 5.801) 6.893 6.561 ( 16.430 17.059 0.265) 23.686 6.857 ( 4.683 6.701 1.249) 8.270 7.424 ( 20.731 17.287 -8.548) 28.314 10.412 ( 21.487 -4.819 0.381) 22.024 11.465 ( -2.453 -9.264 1.736) 9.739 11.901 ( 5.247 7.402 2.934) 9.535 14.261 ( 6.597 5.750 -6.120) 10.679 15.025 ( 2.076 -8.931 4.549) 10.235 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -14.183 -4.799 -0.661) 14.988 1.811 ( -10.676 5.031 0.457) 11.811 2.046 ( -3.776 2.808 -0.318) 4.716 2.710 ( -10.887 -6.660 1.330) 12.832 3.621 ( -7.319 0.026 -0.931) 7.378 4.380 ( 5.095 3.014 -1.102) 6.021 4.645 ( -6.254 -6.865 -0.518) 9.301 5.658 ( 8.064 1.190 0.769) 8.188 6.001 ( -10.968 1.509 -4.231) 11.853 6.408 ( 4.060 -0.024 5.212) 6.606 6.593 ( -4.832 -1.093 4.794) 6.894 7.509 ( 36.147 24.107 -0.324) 43.449 7.939 ( 23.933 13.702 -6.324) 28.294 10.740 ( 21.046 -3.142 0.012) 21.279 11.376 ( 1.906 -7.561 1.713) 7.983 12.146 ( 12.093 10.425 4.720) 16.650 14.439 ( 8.352 9.287 -8.638) 15.187 14.984 ( 1.222 -8.959 7.367) 11.663 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -17.009 -4.738 -0.275) 17.659 1.665 ( -12.396 3.170 0.571) 12.807 2.000 ( -3.968 1.158 -0.350) 4.149 2.390 ( -18.713 -8.630 1.141) 20.639 3.357 ( -19.475 -5.397 -0.403) 20.213 4.428 ( -1.580 -1.561 -1.805) 2.862 4.502 ( -1.989 -3.529 -0.594) 4.095 5.692 ( -21.725 0.365 -6.308) 22.625 5.891 ( 15.049 3.617 0.426) 15.483 6.362 ( -6.712 -7.605 6.949) 12.295 6.542 ( -5.784 1.973 2.308) 6.532 8.353 ( 37.383 15.687 -0.386) 40.542 8.436 ( 23.940 9.983 -3.491) 26.172 11.059 ( 18.947 -0.339 0.412) 18.954 11.411 ( 8.316 -4.038 1.268) 9.331 12.524 ( 17.881 9.901 6.054) 21.317 14.650 ( 7.476 10.550 -11.039) 17.001 14.947 ( 1.766 -8.259 9.961) 13.059 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -18.892 -3.749 -0.232) 19.262 1.435 ( -17.848 0.638 0.428) 17.864 1.898 ( -20.181 -6.395 0.250) 21.172 1.956 ( -11.436 -1.190 0.074) 11.498 2.901 ( -26.551 -5.535 -0.108) 27.122 4.317 ( -6.123 -1.742 0.402) 6.379 4.494 ( 2.831 -2.917 -2.327) 4.684 5.276 ( -24.656 1.108 -4.154) 25.028 6.116 ( -8.508 -6.512 3.802) 11.369 6.245 ( 14.871 3.018 1.754) 15.275 6.379 ( -14.670 -0.497 -0.493) 14.687 8.814 ( 17.316 3.573 0.102) 17.681 9.125 ( 35.119 8.694 -1.221) 36.200 11.383 ( 17.716 2.358 0.999) 17.900 11.562 ( 11.386 -1.558 0.533) 11.505 12.948 ( 19.944 5.656 7.213) 21.950 14.738 ( -2.978 1.780 -1.620) 3.829 15.012 ( 9.264 0.129 -0.353) 9.272 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -20.170 0.000 0.000) 20.170 1.067 ( -25.630 0.000 0.000) 25.630 1.333 ( -35.268 0.000 0.000) 35.268 1.877 ( -3.326 0.000 0.000) 3.326 2.402 ( -27.446 0.000 0.000) 27.446 4.216 ( -4.746 0.000 0.000) 4.746 4.527 ( 3.935 -0.000 -0.000) 3.935 4.895 ( -19.367 0.000 0.000) 19.367 5.879 ( -12.527 0.000 0.000) 12.527 6.073 ( -19.314 0.000 0.000) 19.314 6.562 ( 16.619 -0.000 -0.000) 16.619 9.071 ( 11.050 -0.000 -0.000) 11.050 9.691 ( 26.415 -0.000 -0.000) 26.415 11.679 ( 14.008 -0.000 -0.000) 14.008 11.739 ( 9.919 -0.000 -0.000) 9.919 13.333 ( 19.798 -0.000 -0.000) 19.798 14.638 ( -8.230 0.000 0.000) 8.230 15.175 ( 8.708 -0.000 -0.000) 8.708 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 0.000 19.887 2.478) 20.040 1.159 ( 0.000 21.241 -0.356) 21.244 1.549 ( 0.000 35.003 0.880) 35.014 1.890 ( 0.000 2.847 0.462) 2.885 2.563 ( 0.000 28.280 1.218) 28.307 4.219 ( -0.000 5.278 -3.800) 6.504 4.530 ( -0.000 -3.578 -1.609) 3.923 4.865 ( -0.000 17.905 -2.065) 18.024 6.041 ( -0.000 12.110 -9.153) 15.180 6.075 ( 0.000 17.969 2.732) 18.176 6.539 ( 0.000 -10.318 6.247) 12.062 8.900 ( -0.000 -12.268 -14.218) 18.779 9.517 ( -0.000 -31.360 -0.672) 31.368 11.604 ( -0.000 -14.353 0.523) 14.362 11.731 ( -0.000 -8.684 0.229) 8.687 12.683 ( -0.000 0.544 -62.660) 62.663 14.511 ( -0.000 4.032 -7.190) 8.244 15.597 ( 0.000 -16.516 37.947) 41.386 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 5.761 18.290 2.218) 19.304 1.432 ( 9.091 15.256 -0.646) 17.771 1.903 ( 3.621 18.691 0.240) 19.040 1.965 ( 4.917 12.719 0.761) 13.658 2.910 ( 8.235 25.389 0.923) 26.707 4.276 ( 2.193 5.519 -4.022) 7.173 4.483 ( -0.619 -1.741 0.675) 1.968 5.223 ( 17.334 18.229 -1.178) 25.183 6.052 ( -1.092 -0.781 -8.211) 8.320 6.224 ( -3.815 10.451 -0.877) 11.160 6.530 ( 1.127 6.046 10.760) 12.394 8.693 ( -2.158 -17.777 -12.686) 21.945 9.110 ( -8.540 -35.646 -0.187) 36.655 11.392 ( -8.228 -16.395 0.107) 18.344 11.542 ( -8.445 -8.626 -3.224) 12.495 12.553 ( 5.326 -7.944 -38.550) 39.719 14.549 ( 4.414 0.046 -6.669) 7.998 15.441 ( -13.135 -11.015 27.072) 32.043 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 8.636 15.968 1.975) 18.261 1.710 ( 7.241 12.723 -0.751) 14.658 2.013 ( 2.652 4.122 0.067) 4.901 2.293 ( 8.865 17.912 -0.050) 19.986 3.303 ( 11.343 18.881 0.530) 22.033 4.379 ( 4.795 4.583 -2.127) 6.966 4.472 ( 0.395 -1.212 1.163) 1.726 5.689 ( 16.648 12.949 -0.369) 21.094 5.900 ( -5.383 -9.941 -2.242) 11.525 6.281 ( -1.642 13.161 -1.788) 13.383 6.645 ( -1.500 6.110 7.372) 9.691 8.389 ( -7.697 -22.195 -10.156) 25.593 8.565 ( -15.076 -31.513 0.892) 34.945 11.045 ( -10.693 -18.239 -0.753) 21.156 11.310 ( -6.365 -10.033 -5.525) 13.103 12.406 ( -1.747 -9.170 -20.895) 22.885 14.608 ( 6.806 -3.642 -6.566) 10.134 15.157 ( -17.775 -6.864 19.169) 27.028 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 9.199 13.535 2.426) 16.544 1.921 ( 2.811 14.318 -0.620) 14.605 2.091 ( 1.391 4.740 -0.420) 4.958 2.580 ( 9.428 9.074 -0.697) 13.104 3.623 ( 7.212 11.627 0.233) 13.684 4.418 ( -1.287 -1.485 -0.943) 2.179 4.545 ( 6.265 2.309 2.439) 7.108 5.669 ( -5.549 -8.939 -0.889) 10.559 6.025 ( 8.166 4.458 -1.910) 9.497 6.391 ( -0.496 10.098 2.095) 10.325 6.623 ( -5.312 1.684 2.555) 6.131 7.845 ( -24.426 -23.147 -4.719) 33.980 8.118 ( -11.037 -18.345 -0.743) 21.422 10.693 ( -9.652 -19.394 -0.008) 21.663 11.125 ( 1.641 -13.106 -7.710) 15.295 12.205 ( -7.298 -4.149 -10.467) 13.418 14.643 ( 2.434 -4.154 -6.901) 8.415 14.870 ( -12.041 -7.425 15.067) 20.667 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 5.758 9.060 2.870) 11.112 2.092 ( -0.925 15.013 -0.340) 15.045 2.167 ( 2.263 9.253 -0.550) 9.541 2.786 ( 7.996 3.567 -0.937) 8.805 3.736 ( -3.338 4.856 -0.313) 5.901 4.354 ( -5.149 -1.724 1.905) 5.754 4.679 ( 7.404 -0.345 2.799) 7.923 5.532 ( -2.158 -4.803 -1.091) 5.377 6.071 ( 0.268 -4.285 -5.472) 6.956 6.359 ( -9.433 2.727 2.722) 10.190 6.644 ( 1.757 2.724 2.111) 3.868 7.199 ( -28.877 -8.941 -4.123) 30.510 7.758 ( -15.672 -9.793 1.215) 18.520 10.325 ( -10.187 -20.557 -0.437) 22.947 11.085 ( 13.398 -16.771 -7.354) 22.690 12.044 ( -8.031 3.818 -4.261) 9.860 14.482 ( -13.096 -2.132 -0.248) 13.271 14.795 ( 7.092 -11.740 5.810) 14.895 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 0.737 6.163 2.010) 6.524 2.146 ( -4.206 9.352 -0.565) 10.269 2.374 ( 3.637 16.474 1.020) 16.901 2.911 ( 3.930 1.625 -1.083) 4.388 3.666 ( -6.086 2.334 0.022) 6.518 4.200 ( -12.979 0.393 3.908) 13.560 4.810 ( 9.072 -3.572 1.289) 9.835 5.470 ( -1.324 -2.891 -0.635) 3.242 5.983 ( -1.766 -4.710 -4.891) 7.017 6.276 ( -5.644 7.302 -0.087) 9.229 6.483 ( -22.146 0.566 -1.604) 22.212 6.882 ( -2.688 0.499 0.806) 2.850 7.407 ( -20.249 0.409 1.273) 20.293 9.980 ( -5.293 -20.668 -0.814) 21.350 11.165 ( 18.394 -20.140 -5.200) 27.767 11.983 ( -6.969 10.682 -1.058) 12.798 14.254 ( -9.641 -3.182 -0.452) 10.162 14.829 ( 8.801 -13.170 3.884) 16.309 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -1.762 4.285 0.841) 4.708 2.157 ( -5.485 10.313 0.082) 11.681 2.548 ( -1.761 12.568 0.886) 12.721 2.941 ( -1.042 1.874 -1.198) 2.456 3.644 ( -0.609 3.714 0.595) 3.811 4.001 ( -12.623 5.185 4.091) 14.247 4.900 ( 6.727 -6.876 0.153) 9.621 5.424 ( -1.258 -1.005 0.440) 1.669 5.919 ( -1.663 0.063 -3.524) 3.898 6.146 ( -16.030 13.765 -0.813) 21.144 6.369 ( 0.136 9.001 0.364) 9.009 6.840 ( -4.478 -1.307 -0.028) 4.665 7.149 ( -12.633 7.395 -0.351) 14.643 9.774 ( 3.991 -17.615 -0.444) 18.067 11.249 ( 17.440 -23.228 -2.438) 29.148 11.986 ( -7.431 13.851 0.050) 15.718 14.109 ( -3.184 -2.653 -2.304) 4.742 14.853 ( 8.394 -14.271 3.690) 16.963 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -3.902 3.306 -0.147) 5.116 2.164 ( -5.668 10.044 0.777) 11.559 2.530 ( -11.148 7.074 -0.955) 13.238 2.950 ( -0.153 2.002 -0.194) 2.017 3.638 ( -4.315 4.032 0.207) 5.909 4.005 ( 1.647 11.039 4.287) 11.956 4.894 ( 2.307 -9.824 -0.398) 10.099 5.428 ( 1.609 0.926 0.734) 1.996 5.911 ( 1.062 3.993 -3.691) 5.540 6.203 ( -0.444 22.261 4.641) 22.745 6.396 ( -4.970 1.573 3.090) 6.060 6.796 ( -0.096 5.461 -4.687) 7.197 7.126 ( -1.560 12.570 -2.591) 12.929 9.779 ( 13.741 -12.005 0.060) 18.246 11.276 ( 14.155 -25.260 0.233) 28.956 11.988 ( -8.187 13.546 0.165) 15.829 14.088 ( 2.921 0.797 -4.263) 5.229 14.858 ( 7.567 -14.760 4.045) 17.073 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -6.314 1.870 -0.448) 6.600 2.159 ( -6.315 8.661 0.759) 10.745 2.351 ( -15.301 5.302 -1.322) 16.248 2.927 ( -2.946 -2.738 0.511) 4.054 3.660 ( 0.179 7.865 -0.411) 7.877 4.193 ( 5.341 9.327 3.122) 11.192 4.791 ( -1.704 -11.014 -0.723) 11.168 5.487 ( 3.659 0.054 0.984) 3.789 6.009 ( 5.791 3.992 -2.346) 7.414 6.313 ( -1.840 1.583 4.162) 4.818 6.544 ( 7.003 17.259 4.253) 19.105 6.856 ( 4.235 7.564 -1.877) 8.870 7.329 ( 8.097 18.620 -6.586) 21.346 9.990 ( 20.559 -5.718 0.132) 21.340 11.240 ( 10.175 -24.460 2.080) 26.574 11.998 ( -4.302 11.723 0.261) 12.490 14.189 ( 6.602 6.110 -6.133) 10.887 14.849 ( 6.655 -14.596 5.224) 16.871 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -10.985 -0.950 -0.418) 11.034 2.095 ( -13.094 8.381 -0.030) 15.547 2.171 ( -8.049 3.400 -0.172) 8.740 2.804 ( -6.848 -5.504 0.926) 8.835 3.726 ( -2.546 5.460 -1.183) 6.139 4.351 ( 3.511 5.349 1.942) 6.687 4.642 ( -3.169 -9.033 -1.307) 9.661 5.551 ( 4.894 -0.855 0.751) 5.025 6.108 ( 0.674 2.831 -2.394) 3.768 6.372 ( 3.133 2.459 4.708) 6.167 6.628 ( -0.545 -2.987 0.396) 3.062 7.269 ( 20.276 24.297 3.241) 31.812 7.676 ( 17.917 10.917 -7.305) 22.217 10.328 ( 22.476 -1.610 -0.265) 22.535 11.184 ( 8.142 -18.013 2.466) 19.921 12.101 ( 4.715 9.106 0.856) 10.290 14.376 ( 7.980 10.833 -8.017) 15.662 14.834 ( 5.727 -13.977 7.314) 16.782 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -15.960 -1.560 -0.155) 16.037 1.928 ( -13.444 4.768 -0.023) 14.264 2.095 ( -5.408 1.636 0.034) 5.650 2.593 ( -12.581 -4.624 0.687) 13.422 3.614 ( -13.518 -0.090 -0.638) 13.534 4.428 ( 0.440 2.833 0.542) 2.917 4.515 ( -3.012 -5.459 -1.079) 6.327 5.679 ( 10.897 0.690 -0.019) 10.919 6.014 ( -13.620 1.585 -2.641) 13.964 6.405 ( -2.352 -1.998 3.309) 4.524 6.615 ( -0.118 0.475 1.579) 1.653 7.901 ( 30.629 13.202 1.556) 33.389 8.088 ( 23.801 3.766 -4.142) 24.450 10.691 ( 21.774 -0.870 -0.289) 21.793 11.213 ( 9.520 -7.204 1.453) 12.027 12.337 ( 13.801 5.386 1.239) 14.866 14.603 ( 7.981 13.197 -10.197) 18.489 14.817 ( 4.699 -13.238 9.979) 17.231 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -18.141 0.000 0.000) 18.141 1.718 ( -14.546 0.000 0.000) 14.546 2.012 ( -5.208 0.000 0.000) 5.208 2.294 ( -20.104 0.000 0.000) 20.104 3.298 ( -22.321 0.000 0.000) 22.321 4.406 ( -4.981 0.000 0.000) 4.981 4.455 ( 0.148 -0.000 -0.000) 0.148 5.694 ( -23.224 0.000 0.000) 23.224 5.925 ( 16.698 -0.000 -0.000) 16.698 6.300 ( -8.362 0.000 0.000) 8.362 6.569 ( -7.110 0.000 0.000) 7.110 8.494 ( 22.284 -0.000 -0.000) 22.284 8.548 ( 36.826 -0.000 -0.000) 36.826 11.052 ( 21.427 -0.000 -0.000) 21.427 11.362 ( 11.014 -0.000 -0.000) 11.014 12.651 ( 18.966 -0.000 -0.000) 18.966 14.776 ( 0.328 -0.000 -0.000) 0.328 14.841 ( 9.815 -0.000 -0.000) 9.815 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 0.000 18.741 2.725) 18.938 1.478 ( 0.000 12.289 -0.764) 12.313 1.948 ( 0.000 2.634 0.612) 2.705 2.163 ( 0.000 26.978 0.670) 26.986 3.094 ( 0.000 23.775 0.491) 23.780 4.303 ( -0.000 5.807 -4.435) 7.307 4.485 ( -0.000 0.503 -0.735) 0.890 5.254 ( 0.000 22.154 -1.620) 22.213 5.973 ( -0.000 -9.347 -6.702) 11.501 6.436 ( 0.000 15.807 2.105) 15.946 6.598 ( 0.000 6.458 10.523) 12.347 8.456 ( -0.000 -23.502 -15.653) 28.238 8.785 ( -0.000 -42.310 -0.705) 42.316 11.313 ( -0.000 -15.158 0.553) 15.168 11.561 ( -0.000 -8.052 0.289) 8.057 12.272 ( -0.000 -9.426 -35.896) 37.112 14.477 ( -0.000 -4.036 -3.633) 5.430 15.531 ( 0.000 -9.553 21.630) 23.646 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 3.823 17.484 2.660) 18.094 1.659 ( 8.543 8.969 -0.845) 12.415 2.000 ( 2.727 2.796 0.337) 3.920 2.415 ( 1.272 20.778 0.353) 20.819 3.344 ( 5.370 17.243 -0.417) 18.065 4.362 ( 2.114 5.283 -1.700) 5.939 4.494 ( -1.256 3.341 -0.466) 3.599 5.569 ( 10.752 16.613 -1.815) 19.872 5.853 ( -0.944 -8.475 -2.369) 8.850 6.493 ( -6.414 11.545 1.804) 13.330 6.729 ( 1.693 4.668 9.649) 10.852 8.155 ( 0.208 -27.867 -15.616) 31.945 8.335 ( -2.303 -42.391 -0.141) 42.454 11.062 ( -11.203 -17.138 -0.010) 20.474 11.381 ( -10.385 -4.595 -4.193) 12.106 12.170 ( 8.118 -10.680 -22.049) 25.810 14.443 ( 3.804 -7.410 -2.679) 8.750 15.411 ( -11.393 -6.104 16.018) 20.583 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 6.225 15.388 2.957) 16.860 1.913 ( 11.022 8.971 -0.773) 14.233 2.086 ( 3.510 3.392 -0.631) 4.922 2.604 ( 1.181 13.635 -0.096) 13.687 3.596 ( 8.425 9.877 -0.405) 12.988 4.439 ( -0.550 2.476 -1.770) 3.093 4.516 ( 1.334 5.149 2.941) 6.078 5.655 ( -2.950 -6.903 -1.148) 7.594 5.923 ( 6.739 5.630 -2.952) 9.265 6.531 ( -1.593 9.439 4.189) 10.449 6.742 ( -5.570 -1.092 7.190) 9.160 7.805 ( -4.121 -27.827 -12.310) 30.706 7.955 ( 1.418 -31.239 -0.305) 31.273 10.671 ( -11.410 -19.272 -0.998) 22.418 11.121 ( -13.441 -4.249 -7.604) 16.017 12.137 ( 4.344 -7.528 -10.665) 13.759 14.440 ( 6.690 -9.994 -2.422) 12.268 15.157 ( -17.608 -3.570 11.815) 21.503 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 5.670 11.322 3.567) 13.155 2.170 ( 3.017 5.072 -1.498) 6.088 2.202 ( 9.230 13.572 -0.475) 16.420 2.729 ( 2.312 6.802 -0.469) 7.199 3.787 ( 4.420 4.602 0.134) 6.383 4.389 ( -3.043 -0.479 -2.592) 4.026 4.631 ( 2.663 3.912 7.024) 8.469 5.527 ( -3.628 -5.199 -1.032) 6.423 5.978 ( 1.778 -4.284 -6.580) 8.051 6.566 ( -8.815 2.305 5.557) 10.672 6.652 ( -0.154 -1.023 5.237) 5.338 7.425 ( -11.725 -15.072 -10.052) 21.580 7.754 ( 1.963 -17.485 1.552) 17.663 10.327 ( -8.224 -18.129 -0.684) 19.919 10.815 ( -8.480 -11.420 -9.045) 16.856 12.115 ( 0.865 -0.160 -4.373) 4.461 14.448 ( 7.109 -11.654 -3.163) 14.013 14.848 ( -17.878 -3.625 9.825) 20.719 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 2.069 7.601 2.970) 8.419 2.250 ( 1.269 5.945 -1.439) 6.247 2.497 ( 4.807 19.329 0.672) 19.929 2.829 ( 5.416 1.513 -0.631) 5.659 3.804 ( -5.608 2.445 -0.402) 6.131 4.346 ( -1.697 -0.730 0.137) 1.853 4.699 ( 0.690 0.247 7.233) 7.270 5.446 ( -0.376 -3.170 -2.106) 3.825 5.905 ( 0.177 -7.290 -6.855) 10.009 6.467 ( -6.629 6.629 3.223) 9.913 6.644 ( -1.673 -3.514 3.315) 5.112 7.062 ( -15.303 -4.504 -6.228) 17.125 7.648 ( -5.377 -2.145 1.808) 6.065 9.979 ( -14.159 -14.106 -1.033) 20.013 10.636 ( 10.999 -23.162 -6.949) 26.566 12.144 ( -0.772 7.796 -1.492) 7.975 14.381 ( -4.422 -7.604 -5.488) 10.368 14.609 ( -3.106 -10.630 9.994) 14.917 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -1.344 5.755 1.327) 6.057 2.316 ( -1.366 7.815 0.017) 7.934 2.700 ( -1.139 14.163 0.727) 14.227 2.943 ( 4.513 3.097 -0.432) 5.491 3.726 ( -4.698 4.116 -0.526) 6.268 4.269 ( -9.322 2.965 2.683) 10.144 4.731 ( 3.898 -5.214 4.130) 7.709 5.421 ( 0.329 -1.765 -1.074) 2.092 5.846 ( 3.192 -4.753 -6.171) 8.418 6.472 ( -6.167 9.011 3.583) 11.492 6.541 ( -9.671 4.998 -0.487) 10.897 6.872 ( -2.016 1.522 -2.831) 3.794 7.510 ( -14.982 8.501 0.796) 17.245 9.631 ( -8.026 -13.712 -0.976) 15.918 10.643 ( 20.315 -29.228 -3.736) 35.790 12.216 ( -3.124 12.978 -0.275) 13.352 14.173 ( -8.541 -3.712 -4.090) 10.171 14.564 ( 7.754 -16.398 6.498) 19.268 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -3.499 4.547 0.308) 5.746 2.351 ( -4.128 8.294 1.061) 9.325 2.745 ( -5.577 7.144 -0.767) 9.095 2.994 ( -2.166 3.487 -0.494) 4.135 3.743 ( -1.420 6.457 1.402) 6.758 4.167 ( -7.037 7.733 1.899) 10.627 4.739 ( 3.770 -9.226 1.968) 10.159 5.418 ( 0.771 0.067 0.198) 0.799 5.863 ( 4.120 -2.381 -5.542) 7.305 6.425 ( -5.663 6.140 1.779) 8.540 6.516 ( -3.527 9.979 4.172) 11.377 6.912 ( -2.485 7.661 -3.705) 8.865 7.372 ( -12.425 16.645 -0.958) 20.793 9.492 ( 6.057 -9.380 -0.315) 11.170 10.689 ( 20.705 -31.767 -1.268) 37.941 12.260 ( -7.454 13.254 0.241) 15.208 14.055 ( -0.738 -0.004 -4.970) 5.024 14.563 ( 9.280 -17.580 5.526) 20.633 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -5.523 2.893 -0.048) 6.235 2.343 ( -5.778 6.470 1.150) 8.750 2.657 ( -12.482 7.593 -1.804) 14.721 2.946 ( -3.284 -3.188 -0.028) 4.577 3.772 ( -3.301 8.092 2.149) 8.999 4.226 ( 2.362 8.399 0.446) 8.737 4.686 ( 0.898 -10.170 0.757) 10.238 5.447 ( 1.816 0.388 0.515) 1.927 5.916 ( 6.268 -0.430 -2.818) 6.886 6.385 ( -2.789 0.628 0.810) 2.971 6.634 ( -1.714 8.784 4.002) 9.803 6.912 ( 0.351 11.887 -0.537) 11.905 7.433 ( -1.721 16.123 -3.995) 16.700 9.648 ( 16.262 0.749 -0.008) 16.279 10.715 ( 18.967 -30.434 0.466) 35.863 12.225 ( -9.215 9.542 0.263) 13.268 14.120 ( 6.246 6.555 -6.170) 10.957 14.569 ( 9.364 -17.167 5.785) 20.392 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -8.438 0.801 -0.115) 8.477 2.290 ( -6.233 3.099 0.606) 6.987 2.465 ( -17.271 6.078 -1.118) 18.343 2.844 ( -3.666 -4.637 0.455) 5.929 3.813 ( -1.519 5.872 0.248) 6.070 4.350 ( 3.859 4.524 0.954) 6.022 4.591 ( -1.616 -7.148 -0.414) 7.340 5.483 ( 2.584 -0.542 0.357) 2.664 6.039 ( 7.552 0.738 -1.007) 7.655 6.385 ( 0.446 3.044 1.603) 3.469 6.594 ( -1.799 -3.229 -0.343) 3.712 7.231 ( 14.241 17.515 4.261) 22.972 7.532 ( 3.785 3.664 -5.539) 7.644 9.993 ( 18.839 5.258 -0.212) 19.560 10.773 ( 17.819 -19.496 1.137) 26.437 12.173 ( -4.403 4.999 0.126) 6.663 14.322 ( 8.577 11.592 -6.958) 16.011 14.583 ( 8.864 -15.323 6.594) 18.890 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -12.532 0.000 0.000) 12.532 2.202 ( -5.996 0.000 0.000) 5.996 2.204 ( -16.230 0.000 0.000) 16.230 2.735 ( -7.013 0.000 0.000) 7.013 3.785 ( -6.120 0.000 0.000) 6.120 4.441 ( 3.016 -0.000 -0.000) 3.016 4.509 ( -2.819 0.000 0.000) 2.819 5.544 ( 5.454 -0.000 -0.000) 5.454 6.126 ( 0.692 -0.000 -0.000) 0.692 6.423 ( 0.338 -0.000 -0.000) 0.338 6.584 ( 2.535 -0.000 -0.000) 2.535 7.621 ( 12.403 -0.000 -0.000) 12.403 7.687 ( 22.906 -0.000 -0.000) 22.906 10.340 ( 19.524 -0.000 -0.000) 19.524 10.964 ( 14.797 -0.000 -0.000) 14.797 12.200 ( 5.031 -0.000 -0.000) 5.031 14.539 ( 8.372 -0.000 -0.000) 8.372 14.635 ( 7.457 -0.000 -0.000) 7.457 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 17.149 3.173) 17.440 1.654 ( -0.000 6.943 -1.082) 7.027 1.997 ( 0.000 1.772 0.787) 1.939 2.599 ( 0.000 17.331 0.072) 17.331 3.432 ( -0.000 10.196 -2.083) 10.407 4.396 ( 0.000 5.532 0.993) 5.621 4.562 ( -0.000 7.643 -0.705) 7.676 5.671 ( 0.000 20.192 -0.266) 20.194 5.768 ( -0.000 -7.520 -1.455) 7.660 6.664 ( 0.000 5.742 -0.257) 5.748 6.748 ( 0.000 0.008 12.053) 12.053 7.790 ( -0.000 -33.023 -18.017) 37.618 7.898 ( -0.000 -46.702 -0.178) 46.702 11.024 ( -0.000 -15.080 0.138) 15.081 11.451 ( 0.000 -2.907 0.421) 2.937 11.897 ( -0.000 -8.647 -22.181) 23.807 14.324 ( -0.000 -9.294 -1.273) 9.381 15.500 ( 0.000 -5.017 12.459) 13.431 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 2.673 14.875 3.508) 15.515 1.795 ( 9.276 6.740 -1.051) 11.514 2.046 ( 3.461 1.750 0.247) 3.886 2.739 ( -0.686 12.298 -0.300) 12.321 3.536 ( 5.534 3.624 -2.237) 6.983 4.467 ( 0.683 4.377 3.329) 5.542 4.620 ( -2.756 9.680 0.517) 10.078 5.658 ( -3.759 -3.418 -0.481) 5.103 5.905 ( 3.609 10.103 -0.697) 10.751 6.629 ( -2.759 0.272 2.849) 3.975 6.797 ( 0.176 -3.708 8.279) 9.073 7.434 ( 4.332 -33.443 -16.757) 37.656 7.510 ( 6.730 -40.384 -0.344) 40.942 10.723 ( -14.659 -17.386 -0.712) 22.753 11.333 ( -11.683 2.683 -4.862) 12.936 11.883 ( 10.663 -7.207 -11.142) 17.023 14.251 ( 3.047 -10.382 -0.934) 10.860 15.402 ( -10.393 -3.343 9.375) 14.391 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 4.900 9.351 3.648) 11.169 2.087 ( 14.599 10.356 -0.129) 17.900 2.137 ( 4.515 3.002 -1.221) 5.558 2.815 ( -1.674 8.018 -0.686) 8.220 3.679 ( 9.325 0.192 -0.791) 9.360 4.464 ( -4.993 0.628 -0.031) 5.033 4.698 ( -0.402 9.480 6.513) 11.509 5.552 ( -4.727 -3.409 -0.608) 5.860 5.922 ( -2.345 -3.777 -4.762) 6.515 6.636 ( 0.997 -3.586 6.545) 7.530 6.713 ( -5.991 -3.991 3.209) 7.882 7.217 ( 7.541 -23.361 -14.671) 28.597 7.380 ( 16.234 -25.479 2.992) 30.359 10.288 ( -13.170 -18.631 -1.361) 22.857 11.061 ( -21.632 2.767 -7.419) 23.036 11.988 ( 9.969 -2.799 -3.939) 11.078 14.211 ( 5.142 -11.799 -0.810) 12.896 15.161 ( -17.334 -2.215 7.020) 18.832 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 4.253 6.933 3.912) 9.025 2.235 ( 4.374 3.514 -2.473) 6.131 2.469 ( 16.010 12.462 0.899) 20.309 2.844 ( -2.084 5.372 -0.748) 5.810 3.817 ( 5.979 -0.368 -0.216) 5.994 4.354 ( -5.016 -2.202 -1.149) 5.598 4.795 ( -1.850 6.842 10.166) 12.393 5.435 ( -3.714 -3.381 -2.998) 5.849 5.814 ( -0.597 -7.484 -5.973) 9.594 6.600 ( 0.375 -2.793 1.982) 3.445 6.625 ( -3.371 -0.684 3.991) 5.269 7.071 ( 1.148 -15.558 -9.059) 18.040 7.516 ( 15.038 -8.980 3.328) 17.829 9.952 ( -3.881 -19.269 -1.416) 19.707 10.624 ( -26.035 -2.638 -6.641) 26.998 12.136 ( 7.820 3.894 -1.401) 8.848 14.180 ( 5.958 -13.550 -1.109) 14.844 14.840 ( -19.691 -2.357 5.575) 20.600 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 0.492 5.554 2.422) 6.079 2.342 ( 4.355 4.344 -1.488) 6.328 2.836 ( 11.465 3.837 0.803) 12.116 2.858 ( -1.080 11.655 0.493) 11.716 3.843 ( -3.164 2.966 -1.600) 4.622 4.288 ( 1.654 -5.354 -0.595) 5.635 4.805 ( -7.524 4.347 10.180) 13.385 5.372 ( 1.307 -2.700 -3.855) 4.885 5.736 ( 1.477 -5.415 -5.072) 7.565 6.577 ( -1.088 -3.362 5.313) 6.381 6.679 ( 0.856 11.108 -0.428) 11.149 6.905 ( -2.765 -6.290 -6.830) 9.688 7.664 ( 5.241 1.173 2.632) 5.981 9.727 ( -6.744 -13.156 -0.954) 14.814 10.179 ( -9.005 -16.515 -4.662) 19.380 12.312 ( 5.122 9.480 -0.502) 10.787 14.132 ( 4.179 -13.181 -2.840) 14.116 14.520 ( -14.840 -4.590 5.635) 16.524 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -2.355 4.129 0.692) 4.803 2.438 ( 1.647 4.286 0.217) 4.597 2.853 ( -1.675 2.771 -0.502) 3.277 3.063 ( 1.050 6.663 1.116) 6.837 3.840 ( -1.589 8.565 -0.615) 8.733 4.256 ( 0.854 -6.034 -1.444) 6.263 4.719 ( -7.483 0.735 6.781) 10.125 5.385 ( 2.816 -1.088 -1.261) 3.272 5.735 ( 4.473 -2.856 -4.777) 7.141 6.525 ( -4.321 -3.438 5.018) 7.461 6.711 ( -4.724 10.310 -1.042) 11.388 6.936 ( 4.723 4.276 -3.629) 7.332 7.731 ( -6.388 12.929 0.764) 14.441 9.457 ( -9.997 -2.848 -0.563) 10.410 10.030 ( 16.394 -29.631 -2.042) 33.925 12.459 ( -0.760 10.862 0.033) 10.889 14.051 ( 0.085 -5.446 -5.430) 7.691 14.328 ( -1.260 -10.503 6.525) 12.429 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -4.300 2.106 0.114) 4.790 2.468 ( -2.648 2.768 0.636) 3.883 2.846 ( -2.595 4.001 -0.669) 4.815 3.020 ( -8.437 -0.732 -0.213) 8.472 3.915 ( -2.717 8.231 2.344) 8.979 4.225 ( 3.066 -2.289 -2.833) 4.761 4.633 ( -3.464 -2.305 3.057) 5.163 5.423 ( 1.974 0.153 0.190) 1.988 5.785 ( 5.959 -1.795 -2.909) 6.869 6.431 ( -3.747 -1.318 1.199) 4.149 6.785 ( -2.416 9.520 2.784) 10.209 6.976 ( 0.579 0.512 -2.358) 2.481 7.688 ( -12.318 11.352 -0.892) 16.775 9.473 ( 8.725 7.687 0.044) 11.628 10.072 ( 21.575 -26.580 -0.478) 34.237 12.464 ( -8.565 6.089 0.213) 10.511 14.067 ( 5.258 4.930 -5.881) 9.302 14.283 ( 6.366 -13.006 5.913) 15.641 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -6.250 0.000 0.000) 6.250 2.409 ( -5.662 0.000 0.000) 5.662 2.787 ( -15.736 0.000 0.000) 15.736 2.853 ( -1.148 0.000 0.000) 1.148 3.891 ( -3.931 0.000 0.000) 3.931 4.296 ( 5.079 -0.000 -0.000) 5.079 4.582 ( -1.535 0.000 0.000) 1.535 5.450 ( 1.363 -0.000 -0.000) 1.363 5.897 ( 8.495 -0.000 -0.000) 8.495 6.394 ( -0.327 0.000 0.000) 0.327 6.693 ( -10.158 0.000 0.000) 10.158 7.097 ( 10.809 -0.000 -0.000) 10.809 7.576 ( -6.014 0.000 0.000) 6.014 9.752 ( 15.178 -0.000 -0.000) 15.178 10.302 ( 22.887 -0.000 -0.000) 22.887 12.325 ( -9.843 0.000 0.000) 9.843 14.244 ( 9.176 -0.000 -0.000) 9.176 14.333 ( 8.815 -0.000 -0.000) 8.815 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -0.000 4.389 -1.158) 4.539 1.888 ( 0.000 15.471 3.747) 15.919 2.026 ( 0.000 0.673 0.920) 1.140 2.843 ( -0.000 7.890 -0.746) 7.925 3.490 ( -0.000 -0.516 -2.593) 2.644 4.523 ( 0.000 4.117 6.189) 7.434 4.755 ( 0.000 11.235 0.909) 11.272 5.671 ( -0.000 -2.185 -0.355) 2.213 5.993 ( 0.000 10.082 1.466) 10.188 6.606 ( -0.000 -12.463 -3.513) 12.949 6.743 ( 0.000 -8.249 12.908) 15.319 6.979 ( -0.000 -36.075 -19.768) 41.136 7.072 ( -0.000 -32.158 0.850) 32.170 10.709 ( -0.000 -16.851 -0.822) 16.871 11.459 ( 0.000 3.108 0.573) 3.160 11.686 ( -0.000 -1.478 -12.933) 13.017 14.127 ( -0.000 -9.471 -0.689) 9.496 15.487 ( 0.000 -2.861 7.219) 7.765 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 8.644 3.589 -0.306) 9.365 2.040 ( 2.776 5.685 2.038) 6.646 2.103 ( 4.811 9.478 1.778) 10.777 2.890 ( -0.477 3.497 -1.397) 3.796 3.528 ( 6.314 -0.998 -1.112) 6.488 4.550 ( -3.228 1.048 5.434) 6.407 4.845 ( -2.134 10.514 3.757) 11.367 5.610 ( -4.639 -1.641 -0.282) 4.929 5.941 ( -7.095 -8.735 -2.934) 11.629 6.533 ( 6.051 -13.528 -0.887) 14.846 6.678 ( 6.232 -16.531 -3.604) 18.031 6.749 ( 9.414 -17.403 -2.718) 19.973 6.893 ( 8.291 -18.411 0.957) 20.214 10.387 ( -15.705 -15.773 -1.001) 22.281 11.403 ( -13.067 6.733 -4.994) 15.525 11.752 ( 11.456 -1.715 -3.874) 12.214 14.051 ( 1.603 -8.999 -0.585) 9.159 15.397 ( -9.913 -2.040 5.347) 11.446 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 8.489 3.409 2.247) 9.420 2.153 ( 7.199 0.981 -1.282) 7.378 2.352 ( 10.199 12.966 2.229) 16.647 2.899 ( -0.016 1.072 -1.768) 2.068 3.663 ( 9.566 -0.055 -0.012) 9.566 4.454 ( -8.022 -2.467 2.276) 8.696 4.929 ( -1.279 8.452 8.475) 12.038 5.486 ( -6.483 -3.223 -2.134) 7.548 5.736 ( -2.021 -9.861 -5.903) 11.669 6.474 ( 7.362 -12.025 -4.692) 14.859 6.658 ( 1.040 -2.146 -1.124) 2.636 6.754 ( 9.315 -17.017 1.449) 19.454 7.058 ( 23.777 -10.371 1.659) 25.993 9.955 ( -16.040 -13.943 -0.954) 21.274 11.102 ( -26.510 4.645 -5.308) 27.432 11.966 ( 13.882 1.421 -0.775) 13.976 13.993 ( 2.221 -9.525 -0.408) 9.789 15.160 ( -17.305 -1.441 3.795) 17.775 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 5.820 2.988 3.782) 7.556 2.276 ( 5.877 2.303 -3.037) 7.005 2.674 ( 12.916 7.145 1.798) 14.869 2.923 ( 2.426 2.934 -1.041) 3.947 3.818 ( 7.234 1.460 -0.870) 7.431 4.286 ( -7.429 -4.361 0.765) 8.649 5.003 ( -3.708 6.824 11.434) 13.822 5.338 ( -3.974 -3.802 -6.647) 8.627 5.646 ( 1.573 -5.600 -3.814) 6.956 6.521 ( 5.267 -2.327 -0.672) 5.797 6.722 ( 5.088 6.417 -1.348) 8.300 6.742 ( 7.120 -12.678 -1.406) 14.608 7.380 ( 22.889 -7.632 2.406) 24.248 9.610 ( -7.688 -13.294 -0.893) 15.383 10.591 ( -34.596 1.227 -3.367) 34.781 12.224 ( 12.855 4.733 -0.298) 13.702 13.938 ( 2.737 -9.750 -0.406) 10.135 14.829 ( -20.671 -1.338 2.573) 20.873 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 0.150 2.254 1.175) 2.546 2.394 ( 6.179 1.591 -0.837) 6.435 2.843 ( 3.866 0.025 -0.014) 3.866 3.069 ( 6.601 5.352 1.036) 8.562 3.926 ( 2.602 6.511 -2.085) 7.315 4.146 ( -2.193 -8.014 0.742) 8.342 4.950 ( -11.916 3.377 6.169) 13.837 5.296 ( 4.364 -1.901 -3.430) 5.867 5.643 ( 2.946 -1.742 -1.898) 3.914 6.551 ( -0.579 -1.462 2.773) 3.188 6.756 ( 6.055 -2.793 -3.749) 7.649 6.889 ( 3.630 6.369 -0.223) 7.334 7.704 ( 18.061 1.195 1.211) 18.141 9.454 ( 3.727 -10.215 -0.515) 10.886 9.990 ( -32.222 -2.779 -1.483) 32.376 12.468 ( 9.116 5.161 -0.100) 10.476 13.906 ( 3.945 -6.867 -0.748) 7.954 14.485 ( -17.921 -1.441 1.666) 18.056 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -2.644 0.000 0.000) 2.644 2.481 ( 2.673 -0.000 -0.000) 2.673 2.875 ( 0.265 -0.000 -0.000) 0.265 3.133 ( -2.830 0.000 0.000) 2.830 4.025 ( -2.802 0.000 0.000) 2.802 4.082 ( 6.990 -0.000 -0.000) 6.990 4.768 ( -11.066 0.000 0.000) 11.066 5.369 ( 4.535 -0.000 -0.000) 4.535 5.688 ( 3.828 -0.000 -0.000) 3.828 6.499 ( -4.337 0.000 0.000) 4.337 6.848 ( 3.946 -0.000 -0.000) 3.946 6.934 ( 0.372 -0.000 -0.000) 0.372 7.903 ( -0.744 0.000 0.000) 0.744 9.545 ( -13.079 0.000 0.000) 13.079 9.578 ( 16.397 -0.000 -0.000) 16.397 12.580 ( -0.163 0.000 0.000) 0.163 13.958 ( 6.692 -0.000 -0.000) 6.692 14.251 ( -7.914 0.000 0.000) 7.914 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -0.000 2.773 -0.943) 2.929 2.036 ( 0.000 -0.128 0.856) 0.865 2.197 ( 0.000 13.398 4.220) 14.047 2.894 ( -0.000 -1.694 -2.309) 2.864 3.468 ( -0.000 0.699 -0.157) 0.716 4.614 ( 0.000 0.603 7.457) 7.482 4.969 ( 0.000 8.444 3.246) 9.047 5.645 ( -0.000 -1.695 -0.558) 1.785 5.841 ( -0.000 -24.850 -2.151) 24.943 6.208 ( -0.000 -26.947 -19.538) 33.284 6.382 ( 0.000 -3.329 6.285) 7.113 6.628 ( 0.000 -10.133 10.521) 14.607 6.745 ( -0.000 -5.330 -5.345) 7.548 10.391 ( -0.000 -13.923 -0.964) 13.956 11.551 ( 0.000 5.049 0.525) 5.076 11.641 ( -0.000 2.234 -6.645) 7.010 13.965 ( -0.000 -6.428 -0.574) 6.454 15.478 ( 0.000 -1.643 3.840) 4.177 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 9.286 1.911 -0.237) 9.484 2.064 ( 3.355 -0.020 0.390) 3.377 2.371 ( 4.253 11.951 3.757) 13.230 2.859 ( 1.063 -4.581 -2.831) 5.489 3.538 ( 5.996 2.119 0.582) 6.386 4.572 ( -6.822 -2.163 4.928) 8.689 5.043 ( -0.728 6.278 5.723) 8.526 5.540 ( -4.281 -7.263 -0.498) 8.445 5.628 ( -0.236 -13.027 -6.331) 14.486 6.063 ( 14.132 -15.354 -11.284) 23.723 6.485 ( 10.855 -6.797 3.217) 13.205 6.579 ( 1.532 -8.627 7.851) 11.765 6.747 ( 6.482 0.336 -3.758) 7.500 10.126 ( -15.095 -9.583 -0.626) 17.891 11.493 ( -14.715 4.621 -3.630) 15.845 11.741 ( 12.083 1.137 -0.281) 12.139 13.908 ( -0.162 -5.067 -0.390) 5.084 15.391 ( -9.729 -1.048 2.466) 10.091 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 10.390 1.324 1.589) 10.594 2.154 ( 7.411 -0.007 -1.315) 7.526 2.588 ( 7.576 8.407 2.507) 11.592 2.844 ( 4.102 -4.076 -2.204) 6.189 3.690 ( 8.681 1.784 0.175) 8.864 4.408 ( -9.641 -2.669 1.572) 10.126 5.115 ( 0.487 4.576 7.436) 8.745 5.387 ( -7.036 -3.800 -5.183) 9.529 5.547 ( 2.390 -4.724 -2.635) 5.914 6.256 ( 20.556 -4.044 -5.605) 21.687 6.551 ( 2.539 -6.772 4.719) 8.636 6.623 ( 10.297 -0.693 -1.026) 10.371 6.943 ( 17.377 -2.928 0.734) 17.638 9.759 ( -17.973 -5.171 -0.309) 18.704 11.148 ( -28.154 1.966 -1.896) 28.286 12.000 ( 15.916 1.413 -0.003) 15.978 13.857 ( -0.486 -3.747 -0.158) 3.782 15.156 ( -17.373 -0.523 1.208) 17.423 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 7.852 -0.000 -0.000) 7.852 2.283 ( 5.553 -0.000 -0.000) 5.553 2.754 ( 6.434 -0.000 -0.000) 6.434 2.944 ( 9.674 -0.000 -0.000) 9.674 3.843 ( 7.932 -0.000 -0.000) 7.932 4.232 ( -9.289 0.000 0.000) 9.289 5.189 ( -11.530 0.000 0.000) 11.530 5.199 ( 3.824 -0.000 -0.000) 3.824 5.575 ( 3.450 -0.000 -0.000) 3.450 6.543 ( 14.394 -0.000 -0.000) 14.394 6.549 ( 0.935 -0.000 -0.000) 0.935 6.817 ( 9.859 -0.000 -0.000) 9.859 7.290 ( 25.756 -0.000 -0.000) 25.756 9.471 ( -11.150 0.000 0.000) 11.150 10.596 ( -36.565 0.000 0.000) 36.565 12.277 ( 15.057 -0.000 -0.000) 15.057 13.834 ( 0.751 -0.000 -0.000) 0.751 14.823 ( -21.023 0.000 0.000) 21.023 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -0.000 0.949 -0.387) 1.025 2.037 ( 0.000 -0.135 0.382) 0.405 2.450 ( 0.000 8.776 3.375) 9.402 2.783 ( -0.000 -5.824 -2.822) 6.472 3.510 ( 0.000 2.058 0.620) 2.149 4.643 ( 0.000 -1.052 3.921) 4.060 5.111 ( 0.000 3.454 4.005) 5.289 5.420 ( -0.000 -12.273 -0.925) 12.308 5.507 ( -0.000 -8.442 -5.351) 9.995 5.834 ( -0.000 -2.870 -6.455) 7.064 6.357 ( 0.000 -2.929 3.790) 4.790 6.524 ( 0.000 -4.547 4.223) 6.205 6.694 ( -0.000 1.144 -3.385) 3.573 10.191 ( -0.000 -5.332 -0.376) 5.345 11.631 ( 0.000 2.294 0.211) 2.304 11.653 ( -0.000 1.248 -2.064) 2.412 13.877 ( -0.000 -2.205 -0.242) 2.218 15.473 ( 0.000 -0.556 1.213) 1.334 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 9.552 -0.000 -0.000) 9.552 2.064 ( 3.361 -0.000 -0.000) 3.361 2.544 ( 4.342 -0.000 -0.000) 4.342 2.756 ( 1.769 -0.000 -0.000) 1.769 3.573 ( 5.775 -0.000 -0.000) 5.775 4.556 ( -8.584 0.000 0.000) 8.584 5.139 ( 0.359 -0.000 -0.000) 0.359 5.410 ( 1.310 -0.000 -0.000) 1.310 5.475 ( 2.916 -0.000 -0.000) 2.916 5.902 ( 12.767 -0.000 -0.000) 12.767 6.421 ( 8.112 -0.000 -0.000) 8.112 6.516 ( 1.150 -0.000 -0.000) 1.150 6.750 ( 6.542 -0.000 -0.000) 6.542 10.028 ( -14.690 0.000 0.000) 14.690 11.526 ( -15.153 0.000 0.000) 15.153 11.757 ( 12.215 -0.000 -0.000) 12.215 13.856 ( -1.011 0.000 0.000) 1.011 15.389 ( -9.686 0.000 0.000) 9.686 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.053 ( 0.000 -0.000 5.522) 5.522 0.053 ( 0.000 -0.000 5.522) 5.522 0.131 ( 0.000 -0.000 13.455) 13.455 1.819 ( 0.000 -0.000 0.467) 0.467 1.819 ( 0.000 -0.000 0.467) 0.467 4.127 ( -0.000 0.000 -0.982) 0.982 4.532 ( 0.000 -0.000 2.187) 2.187 4.532 ( 0.000 -0.000 2.187) 2.187 5.617 ( -0.000 0.000 -2.895) 2.895 5.617 ( -0.000 0.000 -2.895) 2.895 6.432 ( 0.000 -0.000 1.162) 1.162 6.873 ( -0.000 0.000 -1.016) 1.016 10.163 ( 0.000 -0.000 0.752) 0.752 10.163 ( 0.000 -0.000 0.752) 0.752 11.923 ( -0.000 0.000 -0.200) 0.200 11.923 ( -0.000 0.000 -0.200) 0.200 14.377 ( -0.000 0.000 -0.186) 0.186 16.930 ( -0.000 0.000 -0.189) 0.189 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 15.434 8.911 5.391) 18.620 0.649 ( 25.952 14.983 -0.051) 29.967 0.799 ( 34.298 19.802 0.139) 39.604 1.842 ( 1.776 1.025 0.650) 2.151 2.052 ( 18.381 10.612 1.028) 21.250 4.140 ( 2.473 1.428 -3.005) 4.145 4.669 ( -1.507 -0.870 2.475) 3.025 4.679 ( 10.385 5.996 5.877) 13.355 5.666 ( 7.278 4.202 -7.420) 11.211 5.790 ( 14.077 8.127 -2.974) 16.525 6.761 ( -9.010 -5.202 -0.472) 10.414 8.968 ( 14.755 8.519 -37.486) 41.176 10.014 ( -13.757 -7.942 1.645) 15.970 11.729 ( 7.398 4.271 -36.340) 37.331 11.865 ( -4.762 -2.750 -0.450) 5.518 12.192 ( 60.261 34.792 -105.576) 126.445 14.411 ( 4.131 2.385 -2.476) 5.374 16.056 ( -39.013 -22.524 54.995) 71.090 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 16.462 9.505 2.999) 19.244 1.146 ( 17.953 10.365 -1.123) 20.760 1.528 ( 29.855 17.237 -0.385) 34.476 1.896 ( 2.605 1.504 0.828) 3.120 2.559 ( 24.398 14.086 0.904) 28.187 4.216 ( 5.268 3.042 -3.277) 6.910 4.630 ( -2.430 -1.403 3.950) 4.845 5.022 ( 17.365 10.026 8.491) 21.775 5.875 ( 13.032 7.524 -10.422) 18.305 6.112 ( 12.113 6.993 -6.613) 15.471 6.510 ( -11.698 -6.754 6.339) 14.921 8.919 ( -6.752 -3.898 -13.133) 15.273 9.562 ( -26.509 -15.305 2.032) 30.677 11.535 ( -10.907 -6.297 -7.025) 14.421 11.720 ( -7.549 -4.359 -0.447) 8.729 12.628 ( 8.830 5.098 -59.914) 60.775 14.540 ( 7.783 4.494 -8.250) 12.200 15.520 ( -24.352 -14.059 35.466) 45.260 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 15.631 9.025 2.179) 18.181 1.460 ( 10.735 6.198 -1.435) 12.478 1.957 ( 2.335 1.348 0.897) 2.841 2.124 ( 22.826 13.179 -0.907) 26.373 3.092 ( 21.566 12.451 0.385) 24.905 4.356 ( 7.740 4.469 -2.300) 9.229 4.584 ( -2.805 -1.619 3.296) 4.621 5.475 ( 19.195 11.082 9.295) 24.034 6.056 ( -11.743 -6.780 -6.255) 14.933 6.145 ( 13.108 7.568 -11.458) 18.983 6.472 ( 2.462 1.421 7.661) 8.171 8.642 ( -14.593 -8.425 -6.866) 18.196 8.853 ( -36.329 -20.974 1.897) 41.992 11.261 ( -11.434 -6.601 -3.162) 13.576 11.549 ( -6.798 -3.925 -0.188) 7.852 12.446 ( -9.150 -5.283 -31.765) 33.476 14.658 ( 3.680 2.125 -8.337) 9.358 15.152 ( -15.621 -9.019 21.930) 28.395 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 14.536 8.392 2.215) 16.930 1.645 ( 6.526 3.768 -1.269) 7.642 2.003 ( 1.440 0.831 0.906) 1.893 2.547 ( 15.024 8.674 -1.199) 17.389 3.484 ( 12.180 7.032 -0.748) 14.084 4.476 ( -2.007 -1.159 2.334) 3.289 4.580 ( 6.288 3.630 0.451) 7.275 5.774 ( -10.584 -6.111 -1.343) 12.295 5.887 ( 13.102 7.565 8.157) 17.188 6.368 ( 10.040 5.796 -10.486) 15.632 6.458 ( -5.180 -2.991 0.698) 6.022 7.971 ( -41.413 -23.910 1.453) 47.842 8.231 ( -20.246 -11.689 -2.025) 23.466 11.002 ( -11.432 -6.600 -0.881) 13.229 11.441 ( -2.323 -1.341 0.179) 2.688 12.104 ( -12.076 -6.972 -19.851) 24.259 14.589 ( -8.017 -4.629 -0.303) 9.262 15.016 ( -1.215 -0.701 8.385) 8.501 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 4.396 2.538 -1.056) 5.185 1.830 ( 13.201 7.622 2.714) 15.483 2.026 ( 0.348 0.201 0.930) 1.013 2.802 ( 8.103 4.678 -1.158) 9.428 3.618 ( 0.697 0.402 -1.680) 1.863 4.345 ( -9.960 -5.750 5.597) 12.790 4.771 ( 8.965 5.176 0.104) 10.353 5.602 ( -4.491 -2.593 -1.301) 5.347 6.040 ( -1.320 -0.762 2.599) 3.013 6.289 ( -7.607 -4.392 -4.106) 9.696 6.565 ( 8.290 4.786 -4.568) 10.606 7.058 ( -36.917 -21.314 0.655) 42.634 7.736 ( -23.055 -13.311 2.058) 26.701 10.712 ( -14.158 -8.174 -0.572) 16.359 11.450 ( 2.689 1.552 0.439) 3.136 11.844 ( -5.556 -3.208 -12.581) 14.123 14.388 ( -8.687 -5.015 1.393) 10.127 15.061 ( 2.239 1.293 4.025) 4.784 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 3.034 1.752 -0.946) 3.629 2.025 ( -0.655 -0.378 0.927) 1.196 2.110 ( 10.445 6.030 3.060) 12.443 2.909 ( 1.876 1.083 -1.440) 2.602 3.579 ( -1.918 -1.107 0.087) 2.216 4.078 ( -14.251 -8.228 5.200) 17.257 4.958 ( 7.156 4.132 -0.467) 8.276 5.515 ( -3.913 -2.259 -0.556) 4.552 5.908 ( -9.056 -5.229 -3.240) 10.948 6.172 ( -0.004 -0.003 -6.783) 6.783 6.208 ( -27.300 -15.762 4.925) 31.906 6.849 ( 7.592 4.383 -2.907) 9.236 7.237 ( -21.214 -12.248 3.879) 24.801 10.395 ( -12.511 -7.223 -0.935) 14.477 11.538 ( 4.232 2.444 0.466) 4.909 11.761 ( 0.134 0.077 -6.809) 6.811 14.227 ( -5.586 -3.225 -0.309) 6.457 15.119 ( 1.640 0.947 3.636) 4.100 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 1.511 0.873 -0.813) 1.925 2.008 ( -0.877 -0.506 0.751) 1.261 2.290 ( 3.819 2.205 2.286) 4.967 2.902 ( -0.721 -0.417 -1.535) 1.746 3.585 ( 1.298 0.749 0.135) 1.505 3.807 ( -8.611 -4.971 6.144) 11.688 5.073 ( 3.052 1.762 -1.342) 3.771 5.431 ( -2.632 -1.520 1.617) 3.443 5.642 ( -8.519 -4.918 -6.048) 11.547 5.867 ( -6.520 -3.764 7.512) 10.635 6.238 ( 6.434 3.715 -6.609) 9.944 6.843 ( -13.424 -7.750 1.997) 15.629 6.972 ( 3.295 1.903 -2.030) 4.313 10.191 ( -4.601 -2.656 -0.448) 5.332 11.613 ( 1.835 1.059 0.299) 2.139 11.771 ( 1.508 0.871 -2.712) 3.223 14.136 ( -2.134 -1.232 -2.265) 3.347 15.154 ( 0.346 0.200 3.633) 3.655 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -0.904 -0.522 -0.244) 1.072 2.001 ( 0.217 0.125 0.077) 0.262 2.270 ( -5.614 -3.241 0.279) 6.489 2.916 ( 1.865 1.077 -0.148) 2.159 3.526 ( -2.726 -1.574 -3.449) 4.670 3.865 ( 8.075 4.662 9.613) 13.392 5.077 ( -2.544 -1.469 -0.942) 3.085 5.443 ( 3.098 1.789 2.732) 4.501 5.657 ( 12.013 6.936 -5.379) 14.878 5.854 ( 2.672 1.543 7.085) 7.728 6.315 ( -1.004 -0.580 1.271) 1.720 6.744 ( 7.913 4.569 -7.931) 12.099 6.978 ( -2.189 -1.264 -1.439) 2.908 10.199 ( 5.249 3.031 0.308) 6.069 11.611 ( -2.076 -1.199 0.079) 2.399 11.800 ( 1.498 0.865 0.154) 1.736 14.116 ( 1.250 0.722 -4.103) 4.350 15.159 ( -0.929 -0.537 4.036) 4.176 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -2.797 -1.615 0.185) 3.235 2.011 ( 0.479 0.276 -0.390) 0.677 2.076 ( -10.815 -6.244 -0.405) 12.494 2.930 ( -1.729 -0.998 0.698) 2.115 3.539 ( 4.218 2.435 -3.083) 5.764 4.102 ( 9.451 5.456 6.680) 12.795 4.959 ( -7.347 -4.242 -0.453) 8.496 5.549 ( 4.239 2.447 2.791) 5.635 5.952 ( 6.480 3.741 0.419) 7.495 6.153 ( 27.838 16.072 -0.024) 32.144 6.287 ( 0.277 0.160 5.406) 5.416 6.882 ( -5.211 -3.008 0.354) 6.027 7.081 ( 22.342 12.899 -12.151) 28.517 10.410 ( 12.558 7.250 0.562) 14.512 11.533 ( -4.356 -2.515 -0.052) 5.030 11.852 ( 3.355 1.937 1.957) 4.341 14.166 ( 4.572 2.640 -5.822) 7.859 15.141 ( -1.863 -1.075 5.420) 5.832 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -4.144 -2.393 0.375) 4.800 1.802 ( -13.123 -7.576 -0.049) 15.153 2.012 ( -0.391 -0.226 -0.447) 0.635 2.826 ( -7.885 -4.552 1.253) 9.191 3.611 ( 0.654 0.378 -2.250) 2.373 4.305 ( 7.021 4.054 1.584) 8.261 4.767 ( -8.899 -5.138 -0.383) 10.283 5.635 ( 3.704 2.139 1.898) 4.679 5.998 ( -3.735 -2.157 -1.653) 4.619 6.386 ( 5.633 3.252 6.121) 8.932 6.636 ( 0.290 0.167 2.481) 2.503 7.049 ( 33.269 19.208 -0.123) 38.416 7.610 ( 26.797 15.471 -10.710) 32.744 10.722 ( 13.925 8.039 0.345) 16.083 11.445 ( -2.625 -1.515 -0.016) 3.031 11.998 ( 9.735 5.621 2.151) 11.445 14.284 ( 7.718 4.456 -7.394) 11.579 15.114 ( -2.437 -1.407 8.143) 8.615 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -14.621 -8.441 0.375) 16.887 1.664 ( -6.253 -3.610 0.547) 7.241 1.989 ( -1.468 -0.847 -0.387) 1.738 2.573 ( -15.128 -8.734 1.438) 17.528 3.482 ( -12.056 -6.961 -0.933) 13.952 4.420 ( 3.043 1.757 -2.717) 4.442 4.579 ( -7.144 -4.125 -0.123) 8.251 5.755 ( -15.571 -8.990 -5.427) 18.781 5.789 ( 10.384 5.995 0.169) 11.992 6.500 ( 1.295 0.747 4.928) 5.150 6.548 ( -7.580 -4.376 7.768) 11.702 7.936 ( 41.046 23.698 -1.988) 47.438 8.175 ( 24.985 14.425 -7.583) 29.830 11.016 ( 12.212 7.051 0.558) 14.113 11.441 ( 2.532 1.462 0.168) 2.928 12.316 ( 17.689 10.213 -0.222) 20.427 14.458 ( 9.648 5.570 -9.198) 14.447 15.088 ( -2.657 -1.534 12.441) 12.814 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -16.141 -9.319 0.532) 18.646 1.481 ( -10.676 -6.164 0.555) 12.340 1.945 ( -2.329 -1.345 -0.255) 2.702 2.145 ( -23.250 -13.424 1.154) 26.872 3.088 ( -21.673 -12.513 0.024) 25.026 4.370 ( -5.729 -3.308 -1.483) 6.780 4.516 ( 1.364 0.788 -2.901) 3.301 5.327 ( -19.430 -11.218 -5.908) 23.200 6.088 ( 15.217 8.785 -3.749) 17.966 6.337 ( -13.190 -7.615 7.955) 17.183 6.438 ( -7.937 -4.582 4.843) 10.366 8.658 ( 19.111 11.034 -5.002) 22.627 8.813 ( 36.334 20.977 -2.022) 42.003 11.299 ( 12.892 7.443 1.127) 14.929 11.555 ( 6.987 4.034 0.359) 8.076 12.751 ( 20.655 11.925 -6.320) 24.674 14.622 ( 6.484 3.743 -12.101) 14.230 15.094 ( -0.400 -0.231 19.204) 19.210 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -17.400 -10.046 0.732) 20.105 1.160 ( -18.346 -10.592 0.219) 21.185 1.540 ( -30.261 -17.471 0.809) 34.952 1.888 ( -2.522 -1.456 -0.003) 2.913 2.554 ( -24.584 -14.194 0.514) 28.392 4.243 ( -4.741 -2.737 -1.081) 5.580 4.553 ( 2.812 1.623 -3.291) 4.623 4.897 ( -16.186 -9.345 -4.393) 19.200 6.034 ( -14.616 -8.438 5.760) 17.833 6.117 ( -13.453 -7.767 -6.239) 16.740 6.487 ( 13.452 7.767 4.121) 16.071 8.993 ( 11.851 6.842 -5.125) 14.613 9.527 ( 26.858 15.506 -1.415) 31.045 11.596 ( 12.549 7.245 1.180) 14.538 11.728 ( 7.573 4.372 0.368) 8.752 13.151 ( 17.535 10.124 -27.302) 33.991 14.617 ( -3.283 -1.896 -13.956) 14.462 15.233 ( 5.897 3.405 31.827) 32.547 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 0.000 17.378 5.694) 18.287 0.649 ( 0.000 30.308 -0.056) 30.308 0.816 ( 0.000 39.685 1.245) 39.704 1.843 ( 0.000 1.936 0.692) 2.056 2.060 ( 0.000 21.501 1.443) 21.550 4.127 ( -0.000 2.600 -3.836) 4.634 4.604 ( 0.000 8.085 0.814) 8.126 4.617 ( 0.000 -4.855 0.450) 4.876 5.720 ( -0.000 14.149 -7.443) 15.988 5.761 ( 0.000 13.417 -1.138) 13.465 6.764 ( -0.000 -9.167 -0.414) 9.176 8.808 ( -0.000 28.533 -48.461) 56.237 9.994 ( -0.000 -17.052 0.410) 17.057 11.666 ( -0.000 89.527 -114.608) 145.431 11.837 ( -0.000 -8.469 -0.190) 8.471 11.872 ( -0.000 -5.185 -0.059) 5.185 14.404 ( -0.000 3.426 -1.459) 3.724 16.259 ( 0.000 -38.609 41.480) 56.668 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 9.448 16.221 3.772) 19.147 1.060 ( 12.369 22.095 -0.596) 25.329 1.337 ( 16.527 30.905 0.413) 35.049 1.886 ( 1.803 2.758 0.801) 3.391 2.417 ( 13.288 23.801 1.451) 27.298 4.168 ( 2.797 3.806 -4.322) 6.403 4.566 ( 1.856 -6.269 3.221) 7.288 4.916 ( 17.126 12.863 2.412) 21.554 5.804 ( 0.740 14.304 -7.164) 16.015 6.017 ( 8.583 13.701 -5.508) 17.080 6.612 ( -6.369 -8.452 4.484) 11.494 8.859 ( 1.633 -2.838 -22.653) 22.889 9.701 ( -11.394 -24.131 0.988) 26.704 11.624 ( -11.273 -3.514 -12.171) 16.957 11.713 ( -2.864 -10.785 -2.103) 11.355 12.280 ( 20.212 21.813 -63.591) 70.201 14.467 ( 3.748 4.661 -4.188) 7.302 15.866 ( -20.130 -22.084 34.420) 45.581 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 12.144 13.916 2.598) 18.651 1.419 ( 7.969 16.124 -1.044) 18.016 1.893 ( 16.950 16.217 -0.221) 23.460 1.963 ( 4.623 7.293 0.690) 8.663 2.913 ( 17.655 20.183 0.983) 26.833 4.273 ( 6.074 4.888 -3.468) 8.533 4.552 ( 1.872 -5.945 2.781) 6.825 5.380 ( 16.908 17.818 6.695) 25.459 5.975 ( 7.449 8.386 -9.431) 14.655 6.104 ( -3.559 -2.326 -9.053) 10.001 6.541 ( -1.502 4.918 11.351) 12.461 8.686 ( -6.031 -11.768 -13.381) 18.813 9.152 ( -23.904 -26.922 1.406) 36.030 11.334 ( -10.309 -10.799 -5.324) 15.851 11.528 ( -3.554 -13.064 -3.023) 13.872 12.395 ( 1.289 2.152 -37.570) 37.653 14.576 ( 5.701 3.442 -7.078) 9.718 15.435 ( -20.658 -13.723 25.555) 35.611 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 12.489 12.320 2.385) 17.704 1.648 ( 3.319 12.888 -1.005) 13.347 2.009 ( 1.178 3.420 0.567) 3.662 2.371 ( 16.192 12.031 -0.803) 20.188 3.362 ( 13.866 14.287 0.054) 19.909 4.427 ( 6.443 2.851 -1.618) 7.229 4.534 ( 1.781 -2.838 2.083) 3.946 5.826 ( 10.744 12.183 6.158) 17.371 5.861 ( -6.894 -6.237 -1.152) 9.368 6.200 ( 8.936 6.882 -9.453) 14.716 6.576 ( -5.550 3.761 5.554) 8.706 8.317 ( -21.374 -22.767 -5.808) 31.764 8.446 ( -25.129 -17.555 -0.980) 30.670 11.044 ( -8.359 -14.658 -1.170) 16.915 11.356 ( 1.174 -13.094 -4.807) 13.997 12.211 ( -10.250 -1.016 -21.665) 23.989 14.640 ( 0.253 0.962 -7.285) 7.352 15.100 ( -11.907 -9.795 18.679) 24.221 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 11.365 10.241 3.058) 15.601 1.796 ( 0.874 12.261 -1.034) 12.335 2.054 ( -0.156 3.875 0.435) 3.902 2.687 ( 11.093 6.256 -1.002) 12.774 3.615 ( 3.256 6.926 -1.501) 7.799 4.429 ( -3.099 -4.398 3.312) 6.318 4.657 ( 8.528 3.174 1.047) 9.160 5.641 ( -5.795 -6.402 -0.765) 8.669 6.078 ( 1.948 3.865 2.656) 5.078 6.333 ( -1.016 -0.072 -1.814) 2.081 6.519 ( -0.275 7.631 -2.456) 8.022 7.507 ( -37.781 -22.205 -0.636) 43.828 7.981 ( -19.454 -12.130 -2.017) 23.014 10.738 ( -8.217 -19.506 -0.078) 21.166 11.313 ( 8.793 -9.671 -5.176) 14.058 11.962 ( -11.938 2.549 -11.940) 17.076 14.518 ( -10.337 -2.178 -2.293) 10.810 15.002 ( 2.701 -6.849 9.870) 12.314 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -0.246 8.911 0.266) 8.918 1.991 ( 5.029 6.178 1.618) 8.129 2.112 ( 2.371 9.443 1.218) 9.812 2.866 ( 5.285 2.762 -1.185) 6.080 3.626 ( -3.923 1.706 -1.637) 4.580 4.270 ( -12.243 -5.357 7.106) 15.135 4.837 ( 9.455 1.175 0.484) 9.540 5.534 ( -2.015 -3.475 -0.707) 4.079 6.031 ( -6.461 -1.607 -2.047) 6.965 6.198 ( -6.978 -0.271 -3.481) 7.802 6.570 ( -19.663 -6.672 1.105) 20.793 6.824 ( -8.591 1.349 -2.042) 8.933 7.513 ( -22.333 -9.750 0.517) 24.374 10.400 ( -7.017 -21.017 -0.738) 22.170 11.408 ( 12.691 -6.673 -4.260) 14.958 11.810 ( -7.791 5.947 -5.321) 11.153 14.312 ( -9.012 -3.165 -1.505) 9.670 15.042 ( 5.608 -6.726 6.390) 10.841 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -1.980 8.663 -0.098) 8.887 2.030 ( -1.461 1.343 0.621) 2.079 2.310 ( 3.531 11.370 2.606) 12.188 2.913 ( -0.566 0.701 -1.921) 2.121 3.590 ( -0.737 1.983 0.130) 2.120 4.000 ( -15.112 -3.261 7.783) 17.308 4.981 ( 7.155 -1.402 -0.709) 7.325 5.464 ( -2.664 -2.657 1.129) 3.929 5.854 ( -14.221 3.169 -5.577) 15.600 6.045 ( -15.194 -3.723 2.563) 15.852 6.193 ( -1.071 6.200 -3.227) 7.071 6.903 ( 2.608 0.241 -0.903) 2.771 7.080 ( -18.275 -3.299 -0.061) 18.571 10.129 ( -1.393 -17.525 -0.695) 17.594 11.549 ( 12.405 -7.051 -3.199) 14.623 11.759 ( -5.541 7.400 -1.304) 9.336 14.159 ( -4.522 -2.979 -2.861) 6.124 15.084 ( 5.157 -7.539 5.407) 10.615 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -4.266 7.412 -0.476) 8.565 2.017 ( -1.193 1.619 0.754) 2.148 2.393 ( -5.724 6.354 1.245) 8.642 2.905 ( 0.521 1.740 -1.301) 2.234 3.587 ( -4.390 1.177 -1.778) 4.881 3.870 ( -0.646 4.532 10.518) 11.471 5.035 ( 2.959 -4.517 -1.353) 5.567 5.426 ( 0.020 -0.540 2.000) 2.072 5.705 ( -5.645 13.258 -5.390) 15.385 5.926 ( -3.502 5.376 7.232) 9.667 6.313 ( 3.929 7.577 -3.653) 9.285 6.730 ( -7.221 -2.862 -2.900) 8.292 7.000 ( -1.021 2.623 -2.371) 3.680 10.033 ( 7.601 -12.122 -0.106) 14.308 11.646 ( 9.923 -12.125 -1.641) 15.753 11.740 ( -6.361 10.527 0.251) 12.303 14.087 ( -0.001 -1.482 -4.403) 4.646 15.102 ( 4.161 -8.276 5.186) 10.616 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -5.409 3.900 -0.210) 6.672 2.026 ( -1.818 3.502 0.398) 3.966 2.269 ( -12.676 2.470 -0.229) 12.917 2.940 ( 0.399 0.974 -0.022) 1.053 3.534 ( -1.306 4.180 -1.764) 4.721 4.047 ( 7.320 7.113 9.011) 13.615 4.979 ( -2.163 -7.661 -0.894) 8.010 5.482 ( 5.118 0.697 2.081) 5.569 5.869 ( 7.943 10.701 -4.625) 14.107 6.082 ( 6.798 20.564 7.164) 22.812 6.331 ( -3.586 0.111 4.266) 5.574 6.801 ( 10.730 4.680 -9.363) 14.990 6.992 ( -0.406 8.036 -4.359) 9.151 10.145 ( 16.473 -7.550 0.229) 18.122 11.603 ( -1.263 -8.942 0.460) 9.043 11.787 ( 1.824 5.855 -0.185) 6.135 14.101 ( 3.564 1.524 -5.747) 6.932 15.099 ( 3.295 -8.652 5.895) 10.975 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -6.677 1.120 0.043) 6.770 1.975 ( -10.080 1.029 0.309) 10.137 2.091 ( -7.915 4.099 -0.372) 8.921 2.897 ( -4.661 -3.177 0.816) 5.699 3.604 ( 2.144 5.735 -2.475) 6.604 4.252 ( 6.013 5.508 5.542) 9.860 4.823 ( -5.670 -8.816 -0.656) 10.502 5.575 ( 4.545 -0.930 1.746) 4.957 6.028 ( 2.530 3.696 -1.460) 4.710 6.350 ( 3.208 2.063 6.181) 7.263 6.567 ( 14.826 18.197 1.055) 23.496 6.866 ( 6.682 6.899 0.643) 9.626 7.325 ( 20.625 18.967 -11.905) 30.445 10.414 ( 21.469 -5.060 0.003) 22.058 11.477 ( -2.872 -8.174 0.704) 8.692 11.913 ( 6.408 7.036 -0.369) 9.524 14.197 ( 6.049 5.287 -6.743) 10.489 15.086 ( 2.755 -8.712 7.805) 12.017 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -14.114 -4.938 0.697) 14.969 1.813 ( -10.428 4.891 -0.034) 11.518 2.044 ( -3.880 2.955 -0.148) 4.879 2.723 ( -10.765 -6.743 1.219) 12.761 3.606 ( -6.780 0.476 -1.980) 7.079 4.379 ( 2.981 2.680 0.993) 4.130 4.639 ( -5.953 -7.080 -0.737) 9.279 5.664 ( 7.453 0.515 0.370) 7.480 5.964 ( -12.066 0.816 -3.460) 12.578 6.462 ( 3.812 -0.270 6.026) 7.135 6.640 ( -2.863 -1.619 4.885) 5.889 7.505 ( 34.970 24.884 -0.465) 42.922 7.860 ( 25.246 15.623 -10.096) 31.359 10.739 ( 21.236 -3.403 -0.209) 21.508 11.386 ( 1.550 -6.831 0.457) 7.019 12.156 ( 12.694 10.633 -2.583) 16.759 14.359 ( 7.521 8.479 -7.499) 13.591 15.075 ( 2.526 -8.744 11.015) 14.289 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -17.028 -4.940 0.921) 17.754 1.668 ( -12.198 3.012 0.042) 12.565 1.997 ( -4.040 1.237 -0.095) 4.227 2.401 ( -18.743 -8.945 1.054) 20.795 3.353 ( -19.085 -5.195 -0.470) 19.785 4.406 ( -1.584 -0.649 -2.620) 3.130 4.500 ( -2.858 -3.570 -0.144) 4.575 5.637 ( -21.433 1.053 -5.111) 22.059 5.888 ( 13.491 3.790 -0.932) 14.045 6.421 ( -5.934 -8.650 5.329) 11.766 6.582 ( -6.449 0.029 5.594) 8.537 8.346 ( 36.785 16.999 -0.995) 40.535 8.383 ( 25.269 11.547 -7.489) 28.774 11.062 ( 19.476 -0.559 0.175) 19.485 11.417 ( 8.109 -3.877 -0.096) 8.989 12.512 ( 17.682 11.203 -8.500) 22.592 14.547 ( 6.283 9.407 -9.145) 14.546 15.081 ( 3.602 -8.678 16.462) 18.955 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -18.926 -3.953 1.096) 19.365 1.436 ( -17.797 0.399 -0.143) 17.802 1.900 ( -18.821 -6.221 0.238) 19.824 1.959 ( -12.809 -1.744 0.491) 12.936 2.903 ( -26.411 -5.585 0.440) 26.998 4.307 ( -5.742 -1.299 -2.334) 6.333 4.481 ( 2.119 -1.333 -0.469) 2.547 5.242 ( -24.664 3.804 -2.785) 25.110 6.117 ( -1.632 -4.103 -4.170) 6.074 6.232 ( 1.099 -1.276 -1.611) 2.331 6.432 ( -8.791 -2.303 9.162) 12.905 8.784 ( 17.512 5.437 -6.286) 19.384 9.115 ( 35.117 9.613 -0.784) 36.418 11.390 ( 18.090 1.793 0.434) 18.184 11.561 ( 11.393 -1.869 -0.897) 11.580 12.866 ( 16.830 8.224 -23.217) 29.832 14.638 ( -1.561 5.462 -12.049) 13.321 15.176 ( 9.698 -6.554 26.333) 28.818 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 19.246 3.777) 19.614 1.153 ( 0.000 21.155 -0.818) 21.171 1.557 ( 0.000 34.900 0.852) 34.910 1.896 ( 0.000 2.789 0.810) 2.905 2.577 ( 0.000 28.065 1.705) 28.117 4.174 ( -0.000 5.176 -5.332) 7.431 4.522 ( -0.000 -4.073 -0.114) 4.075 4.857 ( 0.000 17.098 0.327) 17.101 5.948 ( -0.000 10.466 -9.852) 14.373 6.086 ( 0.000 19.056 -0.488) 19.062 6.601 ( 0.000 -5.600 6.713) 8.742 8.720 ( -0.000 -7.489 -23.067) 24.252 9.515 ( -0.000 -31.719 0.197) 31.720 11.607 ( -0.000 -14.087 0.110) 14.087 11.733 ( -0.000 -8.586 0.052) 8.586 12.065 ( -0.000 20.927 -61.609) 65.066 14.465 ( -0.000 3.170 -3.229) 4.525 15.915 ( 0.000 -21.976 27.595) 35.277 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 5.405 18.027 2.956) 19.051 1.424 ( 9.080 15.251 -0.919) 17.773 1.905 ( 3.334 18.580 0.214) 18.878 1.973 ( 4.813 12.677 0.847) 13.586 2.920 ( 8.103 24.968 1.236) 26.279 4.235 ( 2.921 5.976 -4.358) 7.953 4.491 ( 0.429 -2.641 0.860) 2.811 5.221 ( 18.455 17.077 0.755) 25.155 5.971 ( 0.108 0.034 -8.275) 8.276 6.207 ( -6.041 14.569 -2.720) 16.004 6.636 ( 1.311 5.746 11.232) 12.684 8.542 ( -0.040 -16.199 -18.600) 24.665 9.112 ( -8.082 -35.999 0.460) 36.898 11.391 ( -10.019 -15.488 -0.694) 18.459 11.492 ( -9.392 -7.625 -7.814) 14.401 12.187 ( 11.530 2.177 -34.889) 36.809 14.501 ( 3.298 0.551 -3.797) 5.059 15.677 ( -13.903 -15.357 21.741) 30.030 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 8.522 16.045 2.490) 18.338 1.702 ( 7.284 12.797 -0.742) 14.743 2.014 ( 2.569 3.800 0.029) 4.587 2.293 ( 8.444 17.928 -0.100) 19.817 3.309 ( 11.271 18.552 0.661) 21.718 4.358 ( 5.212 5.331 -2.278) 7.796 4.482 ( 1.096 -1.666 0.873) 2.177 5.687 ( 16.684 8.621 0.004) 18.780 5.877 ( -2.920 -6.269 -2.577) 7.380 6.261 ( -2.831 16.933 -2.317) 17.323 6.728 ( -3.541 5.104 9.871) 11.663 8.270 ( -4.675 -21.917 -14.418) 26.648 8.573 ( -14.894 -31.791 0.797) 35.116 11.034 ( -10.490 -17.329 -1.719) 20.330 11.244 ( -6.772 -10.805 -8.184) 15.152 12.205 ( 1.865 -2.924 -19.749) 20.051 14.555 ( 5.336 -2.291 -4.620) 7.420 15.334 ( -18.135 -10.285 17.243) 27.056 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 9.377 13.894 3.042) 17.036 1.915 ( 2.787 14.395 -0.653) 14.677 2.086 ( 1.475 4.146 -0.531) 4.432 2.573 ( 9.135 9.164 -0.603) 12.954 3.624 ( 6.788 11.725 -0.053) 13.548 4.405 ( 0.333 -2.178 -1.668) 2.764 4.573 ( 6.246 3.899 3.250) 8.049 5.661 ( -5.121 -8.492 -0.829) 9.951 5.997 ( 7.647 0.501 -3.736) 8.526 6.421 ( 0.373 14.922 4.008) 15.456 6.659 ( -8.738 1.069 4.856) 10.054 7.787 ( -21.069 -24.567 -7.277) 33.173 8.103 ( -11.386 -17.332 -2.126) 20.846 10.693 ( -9.409 -19.505 0.058) 21.656 11.038 ( 2.111 -13.758 -10.047) 17.166 12.103 ( -5.159 -0.054 -10.155) 11.391 14.581 ( 1.524 -3.337 -6.018) 7.048 15.016 ( -12.439 -9.403 14.981) 21.623 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 5.376 8.953 3.577) 11.038 2.088 ( -0.903 15.114 -0.485) 15.148 2.161 ( 2.992 9.110 -0.689) 9.613 2.777 ( 7.841 3.643 -0.835) 8.686 3.729 ( -3.731 5.383 -1.068) 6.637 4.376 ( -2.054 -2.678 2.371) 4.125 4.713 ( 5.640 1.104 4.328) 7.195 5.522 ( -2.267 -5.173 -1.033) 5.741 6.013 ( 0.674 -5.824 -6.351) 8.644 6.391 ( -11.699 2.936 3.783) 12.641 6.670 ( 0.613 4.678 3.162) 5.680 7.157 ( -26.899 -10.547 -4.624) 29.260 7.756 ( -15.122 -8.748 -1.701) 17.553 10.320 ( -10.428 -20.854 -0.677) 23.326 11.010 ( 14.831 -16.836 -8.196) 23.887 12.003 ( -6.750 6.095 -4.203) 10.019 14.454 ( -10.137 -2.675 -4.727) 11.501 14.880 ( 3.071 -11.979 10.937) 16.509 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.183 5.848 2.272) 6.276 2.141 ( -4.180 9.632 -0.410) 10.508 2.383 ( 4.328 16.268 1.006) 16.864 2.900 ( 3.584 1.738 -1.361) 4.210 3.665 ( -5.530 2.731 -0.339) 6.177 4.251 ( -12.067 -0.850 6.557) 13.760 4.826 ( 7.401 -2.796 2.208) 8.214 5.465 ( -0.440 -3.040 -0.436) 3.102 5.925 ( -0.422 -5.167 -6.845) 8.586 6.277 ( -9.378 8.528 0.081) 12.676 6.477 ( -20.932 -0.271 0.372) 20.937 6.887 ( -1.790 0.857 0.298) 2.007 7.405 ( -20.213 0.564 -1.582) 20.282 9.972 ( -5.150 -20.726 -0.949) 21.378 11.113 ( 19.625 -19.563 -5.444) 28.240 11.973 ( -6.268 11.473 -1.054) 13.116 14.232 ( -9.354 -3.467 -3.859) 10.697 14.886 ( 7.525 -13.504 7.575) 17.215 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -2.189 3.798 0.962) 4.488 2.160 ( -5.435 11.004 0.432) 12.280 2.557 ( -2.009 11.663 0.998) 11.877 2.926 ( -0.927 2.352 -1.917) 3.173 3.650 ( -0.793 3.864 0.738) 4.013 4.059 ( -11.969 3.605 7.763) 14.714 4.902 ( 5.728 -6.214 0.486) 8.465 5.431 ( -0.734 -1.466 0.866) 1.854 5.869 ( -1.240 -0.099 -6.456) 6.575 6.145 ( -12.188 13.764 0.290) 18.387 6.381 ( -2.162 11.752 2.259) 12.160 6.830 ( -5.329 -3.301 -2.046) 6.594 7.138 ( -13.194 7.916 -1.892) 15.502 9.769 ( 4.265 -17.547 -0.514) 18.065 11.222 ( 18.543 -22.435 -2.960) 29.256 11.987 ( -7.223 13.944 0.159) 15.704 14.074 ( -3.429 -2.938 -4.738) 6.545 14.902 ( 7.839 -14.489 6.355) 17.657 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -4.180 3.253 0.397) 5.312 2.172 ( -5.754 10.320 0.804) 11.843 2.522 ( -11.445 6.194 -0.679) 13.032 2.945 ( 0.333 2.361 -0.842) 2.529 3.643 ( -5.066 5.153 0.819) 7.272 4.062 ( 2.054 8.106 7.455) 11.203 4.891 ( 1.811 -9.308 -0.107) 9.483 5.436 ( 1.822 0.574 0.993) 2.153 5.867 ( 1.880 4.480 -5.431) 7.287 6.250 ( 1.310 20.846 4.821) 21.436 6.432 ( -4.348 3.350 4.373) 7.018 6.740 ( -1.532 6.997 -6.814) 9.886 7.096 ( -2.867 11.552 -3.611) 12.438 9.779 ( 13.923 -12.003 -0.173) 18.383 11.272 ( 15.150 -24.641 -1.103) 28.947 11.990 ( -8.312 13.564 0.247) 15.910 14.038 ( 2.596 0.486 -5.722) 6.302 14.909 ( 7.493 -14.799 6.246) 17.725 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -6.417 1.860 0.514) 6.701 2.166 ( -6.520 8.782 0.639) 10.956 2.338 ( -15.003 4.938 -1.253) 15.844 2.930 ( -2.549 -2.538 0.169) 3.601 3.657 ( -1.018 8.431 -0.136) 8.493 4.237 ( 5.347 6.924 5.732) 10.459 4.786 ( -2.045 -10.888 -0.226) 11.080 5.496 ( 3.852 -0.356 0.871) 3.965 5.974 ( 6.228 4.381 -4.749) 8.974 6.360 ( -0.452 0.778 5.545) 5.617 6.586 ( 4.649 13.742 4.395) 15.158 6.836 ( 7.058 12.670 -2.381) 14.698 7.257 ( 6.091 19.172 -8.224) 21.732 9.989 ( 20.540 -5.840 -0.324) 21.356 11.248 ( 10.795 -24.071 -0.254) 26.381 11.997 ( -4.417 11.851 -0.329) 12.652 14.128 ( 6.218 5.765 -6.272) 10.547 14.910 ( 7.113 -14.522 7.148) 17.680 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -10.994 -1.118 0.951) 11.091 2.094 ( -13.709 8.387 -0.181) 16.072 2.168 ( -7.228 3.431 -0.619) 8.025 2.812 ( -6.667 -5.628 0.739) 8.756 3.713 ( -2.963 6.056 -1.430) 6.892 4.379 ( 2.786 4.370 3.769) 6.408 4.632 ( -3.480 -9.372 -0.787) 10.028 5.556 ( 4.813 -1.215 0.402) 4.980 6.072 ( 0.752 3.119 -4.743) 5.726 6.429 ( 3.021 1.320 6.856) 7.607 6.637 ( 0.916 -3.790 1.529) 4.188 7.299 ( 19.047 25.640 2.906) 32.073 7.592 ( 18.149 12.727 -10.046) 24.337 10.323 ( 22.441 -1.698 -0.714) 22.516 11.193 ( 8.283 -17.870 -0.592) 19.705 12.096 ( 4.529 9.474 -1.797) 10.654 14.306 ( 7.414 10.378 -6.372) 14.258 14.913 ( 6.762 -14.078 8.890) 17.970 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -15.974 -1.819 1.105) 16.116 1.925 ( -13.319 4.850 -0.411) 14.181 2.094 ( -5.383 1.660 -0.218) 5.638 2.599 ( -12.546 -5.145 0.537) 13.570 3.607 ( -13.278 0.598 -0.680) 13.309 4.436 ( -1.203 2.935 1.109) 3.360 4.505 ( -2.303 -5.406 -0.987) 5.958 5.676 ( 10.146 0.832 -0.706) 10.204 5.984 ( -12.966 3.279 -3.312) 13.778 6.444 ( -2.900 -4.483 4.478) 6.969 6.639 ( 0.613 -1.588 3.522) 3.912 7.910 ( 29.657 13.123 0.169) 32.431 8.036 ( 24.522 7.557 -6.515) 26.474 10.687 ( 21.935 -0.656 -0.557) 21.952 11.212 ( 9.557 -7.558 -1.695) 12.302 12.315 ( 12.812 6.398 -5.544) 15.356 14.522 ( 6.644 12.567 -6.775) 15.748 14.922 ( 6.791 -13.993 11.743) 19.489 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -18.142 -0.278 1.086) 18.177 1.716 ( -14.572 -0.055 -0.468) 14.579 2.013 ( -5.125 0.122 0.056) 5.126 2.294 ( -20.064 -0.695 -0.020) 20.076 3.299 ( -22.243 0.211 0.296) 22.246 4.397 ( -5.420 1.360 -1.556) 5.801 4.461 ( 0.415 0.167 1.075) 1.164 5.692 ( -22.236 4.364 -0.313) 22.663 5.918 ( 15.136 0.152 -1.387) 15.201 6.295 ( -8.925 -4.195 -0.992) 9.911 6.589 ( -6.330 -2.450 4.060) 7.909 8.465 ( 23.475 1.867 -5.694) 24.227 8.555 ( 35.343 1.847 1.052) 35.407 11.050 ( 21.378 -0.038 -0.314) 21.381 11.349 ( 11.251 -0.290 -2.601) 11.552 12.580 ( 15.912 1.995 -13.945) 21.252 14.685 ( 0.863 9.678 -9.769) 13.778 14.975 ( 10.708 -12.251 18.175) 24.395 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 18.611 3.284) 18.898 1.469 ( -0.000 12.282 -1.211) 12.341 1.956 ( 0.000 2.604 0.863) 2.744 2.168 ( 0.000 26.818 0.221) 26.819 3.099 ( 0.000 22.794 0.542) 22.801 4.263 ( -0.000 7.109 -3.898) 8.107 4.480 ( -0.000 0.480 -0.310) 0.571 5.249 ( 0.000 21.797 0.643) 21.806 5.911 ( -0.000 -6.068 -6.256) 8.715 6.440 ( 0.000 16.187 -1.188) 16.231 6.706 ( 0.000 6.722 11.854) 13.627 8.285 ( -0.000 -22.515 -19.661) 29.891 8.783 ( -0.000 -42.521 0.245) 42.521 11.318 ( -0.000 -15.104 0.446) 15.111 11.564 ( -0.000 -7.955 0.176) 7.957 11.925 ( -0.000 -0.516 -34.993) 34.997 14.450 ( -0.000 -3.292 -2.134) 3.923 15.716 ( 0.000 -13.174 16.619) 21.207 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 3.598 17.613 2.913) 18.211 1.650 ( 8.700 8.979 -0.923) 12.536 2.004 ( 2.315 2.709 0.427) 3.589 2.416 ( 1.237 20.622 -0.164) 20.659 3.341 ( 5.692 16.146 -0.311) 17.123 4.349 ( 2.512 7.474 -1.080) 7.959 4.490 ( -1.004 3.073 -0.260) 3.244 5.561 ( 9.801 15.736 0.148) 18.540 5.830 ( 0.170 -5.897 -2.465) 6.394 6.498 ( -6.191 12.904 -0.796) 14.335 6.832 ( 0.960 4.032 11.679) 12.392 7.991 ( 1.519 -27.713 -18.450) 33.328 8.337 ( -2.014 -42.460 0.546) 42.511 11.063 ( -11.946 -17.390 0.051) 21.098 11.324 ( -12.842 -3.621 -7.743) 15.426 11.973 ( 12.292 -5.333 -18.098) 22.518 14.424 ( 3.295 -6.546 -1.554) 7.492 15.550 ( -11.455 -9.013 12.626) 19.284 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 6.320 15.902 3.195) 17.407 1.906 ( 11.108 8.884 -0.614) 14.237 2.079 ( 3.023 3.085 -0.681) 4.373 2.601 ( 1.100 13.543 -0.503) 13.597 3.594 ( 8.997 9.333 -0.156) 12.965 4.416 ( -2.259 2.654 -2.624) 4.363 4.550 ( 3.451 7.098 4.026) 8.860 5.646 ( -2.558 -6.008 -0.745) 6.572 5.896 ( 4.682 4.081 -2.577) 6.724 6.567 ( 0.200 11.660 3.185) 12.089 6.820 ( -7.380 -2.487 9.039) 11.931 7.671 ( -1.164 -27.828 -15.289) 31.773 7.958 ( 1.085 -31.082 0.623) 31.107 10.661 ( -11.369 -19.467 -1.014) 22.566 11.038 ( -14.412 -3.757 -9.279) 17.548 12.042 ( 6.339 -3.904 -8.854) 11.568 14.422 ( 5.823 -8.984 -1.502) 10.810 15.262 ( -17.326 -6.017 9.931) 20.857 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 5.607 11.515 4.011) 13.421 2.156 ( 2.802 4.090 -1.511) 5.183 2.197 ( 9.590 14.465 -0.550) 17.364 2.724 ( 2.255 6.797 -0.685) 7.194 3.789 ( 4.399 4.584 0.108) 6.354 4.364 ( -2.226 -0.478 -2.627) 3.476 4.702 ( 2.964 5.823 7.583) 10.010 5.516 ( -4.133 -5.846 -1.116) 7.246 5.918 ( 0.953 -4.551 -5.704) 7.359 6.615 ( -10.275 -0.185 4.822) 11.352 6.709 ( 0.064 0.505 6.335) 6.356 7.322 ( -8.962 -16.218 -11.248) 21.676 7.766 ( 1.403 -15.434 0.863) 15.522 10.321 ( -7.780 -18.626 -0.534) 20.193 10.724 ( -8.632 -10.395 -9.538) 16.539 12.075 ( 1.869 1.804 -3.877) 4.667 14.419 ( 4.889 -10.150 -2.709) 11.587 14.940 ( -16.229 -6.183 9.050) 19.584 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 1.249 7.241 2.968) 7.925 2.239 ( 2.114 5.731 -0.913) 6.177 2.502 ( 4.957 19.995 0.270) 20.602 2.822 ( 5.340 1.643 -0.723) 5.633 3.801 ( -5.779 2.302 -0.330) 6.229 4.345 ( 0.761 -1.726 -0.269) 1.906 4.779 ( -1.478 1.909 9.270) 9.579 5.423 ( 0.099 -3.899 -2.700) 4.744 5.841 ( -0.121 -6.880 -6.216) 9.273 6.492 ( -6.467 6.287 2.214) 9.287 6.676 ( -4.722 -4.140 3.016) 6.966 7.006 ( -11.625 -5.065 -5.259) 13.728 7.658 ( -6.455 -0.628 0.353) 6.495 9.968 ( -14.450 -14.142 -1.194) 20.254 10.570 ( 12.437 -22.272 -6.553) 26.338 12.130 ( -0.215 8.539 -1.392) 8.655 14.329 ( -4.862 -7.303 -5.279) 10.239 14.705 ( -3.362 -11.740 9.591) 15.529 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -1.843 5.403 1.214) 5.836 2.320 ( -0.797 7.845 0.642) 7.911 2.704 ( -1.326 13.756 0.228) 13.821 2.937 ( 4.072 4.036 -0.774) 5.786 3.726 ( -3.951 3.674 0.437) 5.413 4.293 ( -7.124 0.587 2.084) 7.446 4.782 ( 0.640 -3.602 6.592) 7.540 5.410 ( 1.580 -2.083 -1.398) 2.965 5.783 ( 2.894 -4.260 -6.874) 8.590 6.484 ( -10.152 11.487 -0.553) 15.341 6.562 ( -5.310 5.080 4.088) 8.409 6.843 ( -1.680 -1.323 -3.164) 3.819 7.512 ( -15.805 9.481 -0.501) 18.437 9.621 ( -7.698 -13.661 -1.018) 15.714 10.607 ( 21.258 -28.344 -3.614) 35.614 12.214 ( -2.782 13.171 -0.170) 13.463 14.125 ( -7.965 -4.328 -5.472) 10.589 14.634 ( 6.426 -16.414 7.750) 19.256 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -3.668 4.368 0.804) 5.760 2.361 ( -4.006 8.279 0.923) 9.243 2.737 ( -6.028 6.637 -0.808) 9.002 2.988 ( -2.359 4.059 -0.760) 4.756 3.760 ( -0.717 6.912 2.074) 7.252 4.188 ( -5.995 4.307 2.289) 7.729 4.767 ( 1.793 -8.065 3.956) 9.160 5.419 ( 1.270 -0.052 -0.063) 1.273 5.800 ( 4.631 -1.536 -7.215) 8.710 6.444 ( -5.687 8.074 2.093) 10.095 6.563 ( -2.550 7.732 5.419) 9.780 6.868 ( -2.249 8.603 -5.298) 10.350 7.360 ( -13.747 16.662 -1.497) 21.653 9.489 ( 6.266 -9.238 -0.461) 11.172 10.673 ( 21.397 -31.111 -1.891) 37.806 12.263 ( -7.370 13.280 0.353) 15.192 14.001 ( -0.779 -0.411 -5.816) 5.882 14.623 ( 8.846 -17.609 6.643) 20.795 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -5.585 2.718 0.938) 6.282 2.351 ( -5.854 6.241 0.255) 8.561 2.642 ( -12.613 7.677 -1.145) 14.810 2.946 ( -3.019 -2.797 -0.098) 4.117 3.792 ( -4.128 8.133 1.970) 9.331 4.235 ( 3.696 5.421 1.459) 6.721 4.703 ( -0.365 -9.544 2.781) 9.948 5.449 ( 1.935 0.162 -0.155) 1.948 5.874 ( 6.987 1.318 -5.598) 9.050 6.406 ( -2.229 -0.543 3.304) 4.023 6.670 ( -3.489 5.581 3.485) 7.448 6.899 ( 2.926 15.487 -2.209) 15.915 7.395 ( -3.382 17.000 -3.611) 17.705 9.645 ( 16.221 0.817 -0.456) 16.248 10.711 ( 19.443 -30.009 -1.225) 35.778 12.227 ( -9.357 9.500 0.163) 13.335 14.062 ( 6.094 6.384 -5.832) 10.579 14.629 ( 9.495 -17.219 6.550) 20.726 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -8.449 0.537 1.186) 8.549 2.290 ( -6.192 2.769 -0.597) 6.809 2.457 ( -17.216 6.808 -0.483) 18.520 2.848 ( -3.601 -4.796 0.337) 6.007 3.816 ( -2.239 5.753 0.231) 6.177 4.360 ( 4.829 2.734 0.979) 5.635 4.600 ( -2.621 -6.959 2.272) 7.775 5.483 ( 2.731 -0.736 -0.395) 2.856 6.006 ( 7.250 2.776 -5.386) 9.449 6.423 ( 1.838 0.946 5.804) 6.161 6.594 ( -2.263 -3.552 0.113) 4.213 7.256 ( 16.262 16.180 0.456) 22.945 7.484 ( 1.286 7.109 -3.826) 8.175 9.988 ( 18.753 5.473 -0.753) 19.550 10.770 ( 17.923 -19.512 -1.888) 26.561 12.171 ( -4.664 5.099 -0.584) 6.935 14.264 ( 8.310 12.021 -5.180) 15.504 14.648 ( 9.406 -16.066 6.950) 19.872 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -12.540 -0.283 1.402) 12.622 2.195 ( -8.490 -0.624 -0.995) 8.571 2.206 ( -13.742 1.141 0.129) 13.790 2.735 ( -7.022 -0.609 -0.109) 7.049 3.785 ( -6.140 0.701 0.086) 6.180 4.432 ( 2.669 -2.714 -1.637) 4.144 4.526 ( -2.803 1.781 3.377) 4.736 5.542 ( 5.537 -0.198 -0.440) 5.558 6.100 ( 1.142 2.950 -4.924) 5.853 6.449 ( 0.143 -4.604 5.034) 6.823 6.591 ( 2.569 -0.015 1.375) 2.914 7.585 ( 15.964 -6.903 -6.177) 18.456 7.708 ( 19.108 9.827 3.100) 21.709 10.338 ( 19.558 0.617 -0.353) 19.571 10.946 ( 14.772 -0.483 -3.803) 15.261 12.188 ( 4.223 0.470 -2.447) 4.904 14.516 ( 7.566 13.801 -3.695) 16.167 14.675 ( 8.681 -14.600 7.018) 18.379 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -16.073 1.338 1.397) 16.189 1.926 ( -13.632 -4.721 -0.362) 14.431 2.094 ( -5.193 -1.465 -0.253) 5.402 2.587 ( -12.593 4.087 -0.732) 13.260 3.619 ( -13.665 0.458 0.478) 13.681 4.424 ( 1.562 -1.965 -0.373) 2.538 4.527 ( -4.006 5.087 1.492) 6.644 5.676 ( 10.948 -0.516 -0.590) 10.976 6.031 ( -11.811 1.610 0.706) 11.942 6.384 ( -4.239 -1.827 -0.858) 4.695 6.609 ( 0.010 -2.858 0.434) 2.891 7.880 ( 31.644 -11.967 -2.868) 33.953 8.115 ( 22.634 -1.348 1.474) 22.722 10.692 ( 21.676 1.092 0.082) 21.704 11.184 ( 9.929 7.382 -4.631) 13.211 12.294 ( 11.575 -4.552 -7.414) 14.480 14.697 ( 6.006 -9.332 2.116) 11.297 14.750 ( 7.307 7.914 3.038) 11.192 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.000 17.281 3.362) 17.604 1.643 ( -0.000 6.976 -1.281) 7.093 2.005 ( 0.000 1.782 0.910) 2.001 2.597 ( 0.000 17.188 -0.606) 17.198 3.413 ( -0.000 9.057 -1.784) 9.231 4.408 ( 0.000 8.415 1.423) 8.534 4.557 ( 0.000 7.834 -0.053) 7.834 5.678 ( 0.000 20.310 1.579) 20.372 5.753 ( -0.000 -6.150 -1.613) 6.358 6.647 ( -0.000 5.248 -3.205) 6.149 6.874 ( 0.000 0.235 14.026) 14.028 7.609 ( -0.000 -33.119 -19.407) 38.386 7.901 ( -0.000 -46.556 0.739) 46.562 11.026 ( -0.000 -15.512 0.235) 15.513 11.455 ( 0.000 -2.795 0.368) 2.820 11.687 ( -0.000 -3.528 -20.923) 21.218 14.316 ( -0.000 -8.966 -0.397) 8.975 15.603 ( 0.000 -7.046 8.994) 11.426 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 3.198 13.649 3.452) 14.438 1.784 ( 8.975 8.318 -0.893) 12.269 2.049 ( 2.819 1.689 0.294) 3.299 2.733 ( -0.672 12.122 -0.935) 12.176 3.517 ( 6.184 3.291 -1.608) 7.187 4.490 ( -1.165 5.993 1.385) 6.260 4.635 ( -1.087 10.878 2.629) 11.244 5.654 ( -3.661 -3.079 -0.402) 4.800 5.903 ( 1.886 9.578 0.127) 9.762 6.639 ( 0.112 1.429 -0.607) 1.557 6.893 ( -2.083 -5.803 11.345) 12.913 7.261 ( 5.659 -33.153 -18.454) 38.363 7.518 ( 6.921 -39.933 1.474) 40.555 10.717 ( -15.014 -17.746 -0.502) 23.251 11.275 ( -14.151 3.501 -6.980) 16.162 11.790 ( 13.694 -4.028 -7.973) 16.350 14.247 ( 2.946 -10.281 0.077) 10.695 15.479 ( -10.361 -4.818 6.487) 13.140 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 5.677 8.514 3.522) 10.822 2.087 ( 14.205 11.390 0.021) 18.208 2.127 ( 3.772 3.151 -0.962) 5.008 2.806 ( -1.560 7.781 -1.185) 8.023 3.673 ( 9.903 0.235 -0.457) 9.916 4.457 ( -6.781 2.321 -1.153) 7.260 4.766 ( 1.417 10.318 7.281) 12.708 5.545 ( -5.271 -3.902 -0.870) 6.616 5.880 ( -3.671 -4.557 -3.843) 7.000 6.689 ( 2.376 -3.689 3.944) 5.900 6.747 ( -7.199 -8.314 4.265) 11.796 7.078 ( 9.521 -20.407 -13.934) 26.481 7.412 ( 16.128 -24.370 3.643) 29.450 10.277 ( -13.379 -18.670 -1.003) 22.991 10.988 ( -22.032 3.761 -7.573) 23.599 11.955 ( 10.737 -0.937 -3.001) 11.188 14.209 ( 4.884 -11.714 0.294) 12.695 15.219 ( -17.136 -3.435 4.811) 18.127 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 4.130 6.812 3.952) 8.893 2.212 ( 4.333 3.158 -2.244) 5.813 2.478 ( 16.090 13.225 0.896) 20.846 2.835 ( -1.831 5.267 -1.099) 5.684 3.814 ( 5.803 -0.730 -0.397) 5.862 4.343 ( -5.409 -1.036 -1.103) 5.616 4.895 ( -0.986 7.684 10.399) 12.968 5.402 ( -4.534 -4.725 -3.941) 7.643 5.764 ( -0.776 -7.236 -4.434) 8.522 6.613 ( -2.099 -0.820 1.169) 2.539 6.656 ( 0.183 -6.295 1.676) 6.517 6.994 ( 1.274 -12.555 -6.638) 14.258 7.548 ( 14.753 -8.861 3.198) 17.504 9.940 ( -3.754 -19.390 -1.065) 19.779 10.563 ( -26.054 -1.078 -6.084) 26.777 12.124 ( 8.034 4.665 -1.202) 9.368 14.174 ( 5.004 -13.164 -0.199) 14.084 14.886 ( -18.921 -3.702 3.995) 19.689 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -0.365 5.216 1.253) 5.376 2.335 ( 5.259 4.250 0.043) 6.762 2.838 ( 5.259 0.602 -0.362) 5.306 2.866 ( 5.179 15.528 0.979) 16.398 3.829 ( -3.036 2.073 -1.210) 3.870 4.282 ( 1.232 -4.765 -0.699) 4.971 4.907 ( -8.654 3.660 10.877) 14.374 5.330 ( 2.852 -3.075 -4.921) 6.466 5.692 ( 0.935 -4.475 -4.037) 6.099 6.618 ( 0.834 -3.260 2.991) 4.502 6.677 ( 0.144 11.080 0.133) 11.082 6.846 ( -2.718 -6.573 -5.345) 8.897 7.686 ( 4.374 1.387 1.999) 5.005 9.718 ( -6.710 -13.042 -0.811) 14.689 10.137 ( -8.417 -15.249 -3.958) 17.862 12.308 ( 5.315 9.739 -0.432) 11.103 14.107 ( 1.694 -11.848 -2.238) 12.176 14.569 ( -12.746 -6.709 4.578) 15.114 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -2.479 3.869 0.753) 4.656 2.441 ( 1.963 4.041 0.314) 4.503 2.847 ( -1.745 2.911 -0.678) 3.461 3.073 ( 0.206 6.764 0.820) 6.817 3.839 ( 0.045 8.477 0.427) 8.488 4.239 ( 0.106 -6.419 -2.171) 6.777 4.790 ( -8.410 -1.236 7.835) 11.560 5.370 ( 4.090 -0.655 -1.959) 4.582 5.689 ( 3.468 -1.209 -4.451) 5.771 6.569 ( -5.518 -5.331 3.822) 8.572 6.705 ( -1.906 10.748 -0.046) 10.916 6.900 ( 4.411 5.862 -3.653) 8.195 7.736 ( -7.317 12.899 0.313) 14.833 9.452 ( -9.854 -2.416 -0.471) 10.157 10.011 ( 16.925 -28.931 -1.961) 33.576 12.460 ( -0.550 10.897 0.112) 10.912 14.002 ( -1.569 -4.261 -4.658) 6.504 14.386 ( -0.017 -12.244 5.610) 13.468 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -4.270 1.776 0.957) 4.722 2.469 ( -2.657 2.432 -0.526) 3.640 2.840 ( -2.817 4.449 -0.485) 5.288 3.022 ( -8.483 -0.563 0.643) 8.526 3.936 ( -2.669 7.263 1.851) 7.957 4.196 ( 3.731 -1.725 -3.027) 5.104 4.674 ( -4.100 -4.925 5.333) 8.337 5.419 ( 2.157 0.269 -1.117) 2.444 5.753 ( 5.835 1.079 -3.511) 6.895 6.447 ( -3.845 -2.604 2.100) 5.097 6.814 ( -2.313 7.986 3.053) 8.857 6.946 ( 1.293 2.123 -3.933) 4.653 7.681 ( -12.906 12.022 -0.388) 17.642 9.472 ( 8.631 7.910 -0.198) 11.709 10.063 ( 21.766 -26.035 -1.325) 33.961 12.466 ( -8.568 5.912 0.187) 10.411 14.015 ( 4.743 6.111 -4.928) 9.172 14.338 ( 6.852 -14.397 5.454) 16.851 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -6.189 -0.391 1.138) 6.305 2.402 ( -5.660 -0.187 -1.418) 5.838 2.793 ( -15.701 2.359 1.095) 15.915 2.853 ( -1.317 -1.639 0.119) 2.106 3.887 ( -3.635 -1.799 -0.872) 4.149 4.296 ( 4.955 1.952 -0.012) 5.325 4.597 ( -1.485 -2.851 3.220) 4.550 5.444 ( 1.447 0.151 -1.113) 1.831 5.880 ( 7.792 2.538 -3.256) 8.818 6.413 ( 0.336 -1.239 3.740) 3.954 6.691 ( -10.144 -1.170 -0.216) 10.214 7.080 ( 10.259 -0.578 -3.390) 10.820 7.585 ( -5.631 2.343 1.797) 6.358 9.750 ( 15.142 0.234 -0.410) 15.149 10.292 ( 22.554 0.253 -2.047) 22.648 12.324 ( -9.917 -0.121 -0.212) 9.920 14.226 ( 9.099 12.726 -3.062) 15.941 14.357 ( 9.123 -12.881 4.331) 16.367 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -8.324 -1.135 1.359) 8.510 2.280 ( -6.082 -3.049 -1.388) 6.943 2.477 ( -17.707 -5.590 1.296) 18.614 2.840 ( -3.771 4.397 -0.498) 5.814 3.811 ( -0.667 -5.947 -0.280) 5.991 4.344 ( 2.886 -4.867 -0.299) 5.667 4.606 ( -0.921 6.028 2.586) 6.623 5.476 ( 2.593 0.527 -1.015) 2.834 6.023 ( 7.287 1.978 -4.086) 8.586 6.393 ( -0.641 -6.296 2.952) 6.984 6.601 ( -0.585 2.849 1.087) 3.104 7.182 ( 13.086 -16.373 -5.796) 21.746 7.583 ( 4.908 -2.548 4.878) 7.374 9.992 ( 18.957 -5.127 -0.312) 19.640 10.748 ( 17.152 19.801 -3.982) 26.498 12.168 ( -4.695 -4.850 -0.820) 6.800 14.394 ( 9.252 -12.481 7.472) 17.240 14.525 ( 8.495 15.806 -5.068) 18.646 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -10.900 0.716 1.753) 11.064 2.094 ( -12.689 -8.333 -0.156) 15.182 2.171 ( -8.708 -3.150 -0.248) 9.264 2.795 ( -6.999 5.330 -0.976) 8.851 3.735 ( -2.423 -5.157 0.544) 5.723 4.343 ( 4.069 -5.232 0.248) 6.632 4.657 ( -3.208 8.160 1.820) 8.955 5.542 ( 5.027 0.614 -0.994) 5.161 6.110 ( 1.941 -0.243 -2.138) 2.898 6.346 ( 2.566 -5.975 -0.429) 6.517 6.630 ( -1.924 1.782 0.856) 2.759 7.236 ( 21.364 -22.610 -3.657) 31.321 7.732 ( 17.272 -9.484 4.299) 20.168 10.328 ( 22.625 1.531 -0.132) 22.677 11.147 ( 8.076 18.791 -5.262) 21.119 12.081 ( 3.216 -8.899 -3.137) 9.969 14.450 ( 8.743 -11.683 6.456) 15.956 14.782 ( 5.318 14.112 -2.809) 15.340 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -0.000 4.460 -1.071) 4.587 1.924 ( 0.000 15.719 3.640) 16.135 2.035 ( 0.000 0.674 0.895) 1.121 2.833 ( -0.000 7.594 -1.330) 7.710 3.468 ( -0.000 -0.019 -1.763) 1.763 4.572 ( 0.000 5.748 3.853) 6.920 4.771 ( 0.000 11.998 2.481) 12.252 5.665 ( -0.000 -2.130 -0.868) 2.300 6.010 ( 0.000 9.613 2.181) 9.857 6.569 ( -0.000 -10.913 -4.140) 11.672 6.790 ( -0.000 -36.158 -19.357) 41.013 6.875 ( 0.000 -9.344 14.583) 17.320 7.079 ( -0.000 -33.327 0.629) 33.333 10.701 ( -0.000 -17.238 -0.663) 17.251 11.465 ( 0.000 3.158 0.504) 3.198 11.567 ( -0.000 1.871 -11.492) 11.643 14.126 ( -0.000 -9.683 0.470) 9.694 15.542 ( 0.000 -3.802 4.241) 5.696 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 9.567 3.632 -0.258) 10.236 2.054 ( 2.307 2.896 0.934) 3.818 2.126 ( 4.047 12.544 2.738) 13.462 2.874 ( -0.415 3.004 -1.782) 3.517 3.520 ( 6.592 -0.235 -0.609) 6.624 4.587 ( -5.015 2.384 2.382) 6.042 4.889 ( -0.372 11.037 4.950) 12.102 5.604 ( -4.658 -1.598 -0.895) 5.005 5.912 ( -8.851 -11.187 -3.067) 14.591 6.478 ( 8.424 -26.043 -10.343) 29.260 6.627 ( 14.657 -8.519 -2.403) 17.122 6.768 ( -1.866 -10.055 1.968) 10.414 6.932 ( 10.559 -20.470 7.251) 24.147 10.378 ( -15.695 -15.817 -0.743) 22.295 11.352 ( -14.705 7.466 -5.386) 17.349 11.722 ( 13.108 0.084 -2.264) 13.302 14.052 ( 1.649 -9.289 0.777) 9.467 15.436 ( -9.878 -2.737 2.655) 10.588 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 10.071 3.167 2.002) 10.745 2.140 ( 6.051 0.877 -1.361) 6.264 2.375 ( 9.461 13.503 2.416) 16.663 2.881 ( 0.315 0.700 -1.795) 1.953 3.662 ( 9.361 0.215 -0.200) 9.366 4.468 ( -9.176 -1.528 0.630) 9.324 5.009 ( 0.597 8.730 7.517) 11.536 5.459 ( -8.225 -4.285 -3.267) 9.833 5.688 ( -1.440 -10.102 -3.792) 10.886 6.417 ( 11.945 -15.646 -6.431) 20.709 6.638 ( 0.932 -3.092 -2.921) 4.354 6.782 ( 5.457 -10.812 3.860) 12.711 7.088 ( 23.809 -11.920 4.262) 26.965 9.947 ( -16.156 -13.778 -0.625) 21.243 11.055 ( -26.447 5.981 -4.429) 27.474 11.960 ( 13.908 2.069 -0.584) 14.074 13.996 ( 2.194 -9.813 1.036) 10.109 15.185 ( -17.194 -2.068 1.466) 17.379 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 5.593 1.955 -2.799) 6.552 2.264 ( 6.166 2.919 3.611) 7.719 2.690 ( 12.249 6.964 1.360) 14.156 2.914 ( 3.365 3.195 -0.801) 4.709 3.806 ( 6.353 1.425 -1.534) 6.689 4.293 ( -7.519 -3.949 0.757) 8.527 5.112 ( -2.704 6.936 10.784) 13.104 5.265 ( -4.690 -5.425 -8.312) 10.978 5.618 ( 1.719 -4.608 -1.926) 5.282 6.505 ( 9.386 -3.493 -2.186) 10.251 6.702 ( 5.677 4.506 -2.256) 7.591 6.744 ( 2.936 -8.763 1.133) 9.311 7.405 ( 22.764 -8.355 2.818) 24.411 9.603 ( -7.861 -13.000 -0.559) 15.202 10.563 ( -34.424 2.620 -2.399) 34.607 12.221 ( 12.823 4.974 -0.335) 13.758 13.941 ( 2.406 -9.888 0.953) 10.221 14.844 ( -20.361 -2.073 0.616) 20.475 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 0.649 1.824 -1.071) 2.213 2.399 ( 5.689 1.608 1.616) 6.129 2.841 ( 3.586 0.149 -0.273) 3.599 3.077 ( 6.912 4.653 0.663) 8.358 3.905 ( 2.890 6.965 -2.273) 7.876 4.156 ( -2.829 -7.481 1.386) 8.117 4.992 ( -12.486 -1.457 2.191) 12.760 5.273 ( 5.519 0.768 -1.002) 5.661 5.628 ( 2.565 -0.277 -1.046) 2.784 6.575 ( -0.115 -3.609 2.152) 4.203 6.728 ( 6.287 -0.184 -1.861) 6.559 6.882 ( 3.637 6.926 -1.280) 7.927 7.716 ( 17.617 0.220 1.173) 17.657 9.450 ( 3.790 -9.845 -0.365) 10.555 9.979 ( -32.257 -1.529 -0.720) 32.301 12.467 ( 9.192 5.269 -0.154) 10.597 13.904 ( 3.111 -6.362 0.327) 7.089 14.494 ( -17.196 -2.710 0.244) 17.410 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -2.284 -0.436 0.054) 2.326 2.481 ( 2.209 -0.035 -0.021) 2.209 2.874 ( 0.285 0.339 -0.096) 0.453 3.133 ( -2.493 -0.746 0.061) 2.603 4.028 ( -3.461 -3.150 0.586) 4.717 4.079 ( 7.254 4.733 -0.636) 8.685 4.768 ( -10.104 -4.433 0.142) 11.035 5.367 ( 3.998 1.061 -0.355) 4.152 5.690 ( 3.711 2.556 0.407) 4.524 6.496 ( -4.013 -2.226 -0.550) 4.622 6.856 ( 3.210 -0.945 1.636) 3.724 6.928 ( 0.719 2.882 -1.228) 3.215 7.903 ( -0.683 -0.319 0.005) 0.754 9.545 ( -11.976 -5.140 0.015) 13.032 9.578 ( 14.995 6.432 -0.016) 16.316 12.580 ( -0.153 -0.085 -0.001) 0.175 13.958 ( 6.175 3.013 0.002) 6.871 14.251 ( -7.284 -3.474 -0.002) 8.070 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -4.076 -2.522 0.546) 4.824 2.458 ( -2.989 -2.816 -1.232) 4.287 2.852 ( -2.162 -3.417 0.513) 4.076 3.026 ( -8.186 0.326 1.004) 8.254 3.892 ( -3.430 -8.393 -2.472) 9.398 4.249 ( 3.044 2.818 2.048) 4.627 4.616 ( -2.313 -0.581 -0.355) 2.411 5.417 ( 1.724 0.260 -0.937) 1.979 5.805 ( 4.903 4.439 1.075) 6.701 6.427 ( -2.205 -0.345 0.504) 2.288 6.761 ( -3.092 -10.654 -2.324) 11.334 6.990 ( -0.803 1.043 0.533) 1.420 7.698 ( -11.255 -11.006 1.219) 15.789 9.471 ( 8.619 -7.483 -0.277) 11.417 10.072 ( 20.888 27.277 -0.433) 34.359 12.462 ( -8.623 -6.207 -0.196) 10.626 14.127 ( 5.802 -4.050 6.567) 9.653 14.225 ( 6.220 11.831 -6.110) 14.697 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -5.309 -3.209 0.840) 6.260 2.331 ( -5.721 -6.258 -1.307) 8.579 2.674 ( -12.310 -7.714 1.792) 14.638 2.946 ( -3.730 3.247 -0.018) 4.946 3.752 ( -2.405 -7.689 -1.949) 8.289 4.228 ( 1.609 -10.395 1.003) 10.567 4.687 ( 1.769 9.950 0.758) 10.134 5.440 ( 1.737 -0.233 -0.864) 1.954 5.925 ( 4.827 2.712 -1.056) 5.637 6.393 ( -2.803 -2.954 2.465) 4.760 6.596 ( -0.606 -11.315 -3.894) 11.982 6.910 ( -1.181 -8.229 -0.866) 8.358 7.469 ( -0.493 -15.963 3.395) 16.327 9.646 ( 16.206 -0.584 -0.426) 16.222 10.702 ( 17.951 31.017 -2.047) 35.896 12.223 ( -9.228 -9.495 -0.323) 13.244 14.173 ( 6.600 -7.182 4.428) 10.712 14.524 ( 9.468 17.423 -3.030) 20.059 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -6.090 -2.104 1.353) 6.583 2.152 ( -6.065 -8.443 -0.708) 10.420 2.363 ( -15.729 -5.381 1.168) 16.665 2.920 ( -3.238 2.759 -0.799) 4.329 3.664 ( 0.950 -7.096 0.382) 7.170 4.179 ( 5.603 -11.012 0.324) 12.360 4.799 ( -1.551 10.635 0.940) 10.789 5.478 ( 3.437 -0.094 -0.872) 3.548 6.014 ( 5.454 -1.841 -1.409) 5.927 6.284 ( -3.108 -4.439 -1.782) 5.704 6.507 ( 9.144 -19.197 -3.279) 21.515 6.872 ( 2.237 -4.334 1.337) 5.057 7.381 ( 9.280 -18.080 4.121) 20.736 9.987 ( 20.557 5.688 -0.533) 21.336 11.210 ( 9.302 25.158 -4.012) 27.121 11.992 ( -4.830 -11.562 -0.783) 12.555 14.238 ( 7.175 -6.654 3.725) 10.471 14.816 ( 6.548 14.670 -1.270) 16.115 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -0.000 2.900 -0.648) 2.971 2.044 ( 0.000 -0.223 0.685) 0.720 2.235 ( 0.000 13.533 3.585) 14.000 2.871 ( -0.000 -2.314 -2.340) 3.291 3.468 ( 0.000 1.564 0.197) 1.577 4.664 ( 0.000 1.100 2.957) 3.155 5.003 ( 0.000 8.809 3.396) 9.441 5.635 ( -0.000 -1.882 -1.296) 2.285 5.823 ( -0.000 -25.063 -1.476) 25.106 6.034 ( -0.000 -25.480 -16.057) 30.117 6.440 ( 0.000 -1.265 5.705) 5.844 6.692 ( -0.000 -6.977 -5.401) 8.823 6.736 ( 0.000 -12.631 11.779) 17.271 10.382 ( -0.000 -13.820 -0.813) 13.844 11.556 ( 0.000 4.981 0.379) 4.996 11.584 ( -0.000 4.327 -5.198) 6.763 13.967 ( 0.000 -6.763 0.981) 6.834 15.503 ( 0.000 -2.127 1.156) 2.421 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 9.827 1.939 0.045) 10.016 2.066 ( 2.914 -0.085 0.039) 2.916 2.404 ( 3.970 11.800 2.906) 12.784 2.834 ( 1.251 -4.809 -2.193) 5.431 3.543 ( 5.830 2.346 0.508) 6.304 4.596 ( -7.611 -2.521 0.170) 8.019 5.087 ( 0.491 5.752 2.330) 6.225 5.531 ( -5.612 -8.550 -1.101) 10.286 5.582 ( -0.041 -11.234 -2.556) 11.521 5.971 ( 15.836 -12.502 -7.681) 21.589 6.495 ( 7.232 -7.056 -1.529) 10.219 6.656 ( 1.259 -9.549 7.776) 12.379 6.734 ( 9.462 -0.986 1.743) 9.671 10.121 ( -15.013 -9.382 -0.502) 17.710 11.463 ( -14.985 5.832 -2.567) 16.283 11.739 ( 12.288 1.620 -0.124) 12.395 13.912 ( -0.124 -5.413 1.279) 5.563 15.403 ( -9.701 -1.467 -0.035) 9.811 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 10.669 0.062 -0.312) 10.674 2.146 ( 7.259 1.062 0.342) 7.344 2.606 ( 7.189 7.208 1.230) 10.254 2.829 ( 4.476 -3.194 -0.705) 5.544 3.689 ( 8.244 1.803 -0.307) 8.445 4.409 ( -9.421 -3.272 -1.266) 10.053 5.140 ( 1.795 0.537 -3.472) 3.945 5.369 ( -8.063 -0.984 2.852) 8.609 5.538 ( 2.327 -3.250 0.601) 4.042 6.209 ( 20.389 -0.867 -4.099) 20.815 6.587 ( 7.770 -3.162 -0.432) 8.400 6.614 ( 4.702 -5.737 2.231) 7.746 6.961 ( 17.807 -4.218 2.972) 18.539 9.757 ( -17.968 -4.941 -0.149) 18.635 11.135 ( -28.099 3.434 -0.704) 28.317 11.999 ( 15.848 1.484 -0.134) 15.918 13.863 ( -0.496 -4.116 1.506) 4.411 15.157 ( -17.309 -0.966 -1.056) 17.368 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 6.336 -0.215 -3.254) 7.126 2.312 ( 7.181 -0.153 3.268) 7.891 2.750 ( 6.698 -1.023 -0.840) 6.828 2.948 ( 9.221 0.479 0.771) 9.266 3.838 ( 7.777 1.187 -0.979) 7.928 4.232 ( -8.520 -0.929 -0.095) 8.571 5.089 ( -3.313 -5.865 -11.062) 12.951 5.287 ( -4.206 4.236 8.635) 10.497 5.583 ( 3.019 1.413 1.750) 3.765 6.526 ( 9.096 6.321 -1.855) 11.231 6.574 ( 6.146 -5.503 3.514) 8.967 6.809 ( 10.095 1.487 -1.654) 10.337 7.295 ( 25.413 -1.886 0.966) 25.501 9.472 ( -11.144 0.351 0.210) 11.151 10.600 ( -36.627 1.314 0.936) 36.663 12.276 ( 15.066 0.131 -0.159) 15.068 13.842 ( 0.685 -0.312 1.540) 1.715 14.814 ( -20.923 -0.573 -1.943) 21.021 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 1.494 -2.408 -2.466) 3.756 2.411 ( 4.832 -1.816 2.455) 5.716 2.842 ( 4.346 0.077 -0.252) 4.354 3.058 ( 5.980 -6.054 -1.318) 8.611 3.944 ( 3.268 -5.175 1.463) 6.292 4.143 ( -2.167 7.632 0.157) 7.935 4.881 ( -9.387 -6.110 -7.748) 13.619 5.333 ( 1.923 2.743 4.034) 5.244 5.664 ( 2.989 3.342 2.486) 5.126 6.523 ( -1.304 -0.470 -2.944) 3.254 6.798 ( 5.904 4.691 4.975) 9.034 6.886 ( 3.728 -5.411 -1.025) 6.651 7.693 ( 18.235 -2.424 -1.043) 18.425 9.459 ( 3.518 10.626 0.577) 11.208 10.007 ( -32.350 4.020 2.006) 32.661 12.468 ( 9.100 -4.998 0.030) 10.382 13.918 ( 4.383 7.205 1.789) 8.621 14.463 ( -18.155 0.273 -2.910) 18.388 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -1.713 -4.401 -0.819) 4.793 2.439 ( 0.753 -4.391 0.430) 4.476 2.856 ( -1.624 -2.771 0.158) 3.215 3.051 ( 2.196 -6.736 -1.359) 7.214 3.851 ( -3.201 -8.348 1.570) 9.078 4.265 ( 1.224 5.454 0.366) 5.602 4.662 ( -5.456 -1.955 -4.920) 7.602 5.396 ( 1.465 1.409 1.102) 2.312 5.777 ( 4.687 4.403 3.752) 7.445 6.478 ( -3.232 1.413 -4.516) 5.730 6.724 ( -6.568 -9.832 1.544) 11.925 6.967 ( 4.307 -2.599 2.727) 5.722 7.722 ( -5.420 -13.359 -1.120) 14.460 9.463 ( -10.231 3.249 0.559) 10.749 10.049 ( 15.475 30.427 1.795) 34.184 12.459 ( -0.935 -10.787 0.057) 10.828 14.106 ( 1.617 6.478 5.931) 8.931 14.262 ( -2.195 8.844 -6.995) 11.488 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -3.124 -4.835 -0.059) 5.757 2.343 ( -4.430 -8.126 -0.458) 9.267 2.750 ( -4.906 -7.623 0.304) 9.070 2.997 ( -1.979 -3.285 0.175) 3.839 3.734 ( -2.533 -5.834 -0.494) 6.380 4.154 ( -6.718 -10.000 -0.735) 12.070 4.727 ( 5.102 9.681 -0.574) 10.958 5.416 ( 0.310 0.046 -0.105) 0.331 5.901 ( 2.941 3.277 2.160) 4.905 6.411 ( -3.884 -4.651 -0.847) 6.119 6.488 ( -5.631 -11.678 -1.483) 13.049 6.937 ( -3.249 -6.853 1.317) 7.697 7.378 ( -10.891 -17.128 0.328) 20.300 9.494 ( 5.754 9.571 0.112) 11.168 10.697 ( 19.625 32.532 0.446) 37.996 12.259 ( -7.555 -13.206 -0.086) 15.215 14.090 ( -0.661 -0.671 2.099) 2.300 14.523 ( 9.942 17.739 -2.294) 20.464 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -3.456 -3.491 0.585) 4.947 2.159 ( -5.772 -9.851 -0.419) 11.425 2.539 ( -10.690 -7.638 0.942) 13.172 2.949 ( -0.628 -1.838 -0.482) 2.001 3.639 ( -3.462 -2.933 0.327) 4.550 3.982 ( 1.476 -13.046 -0.243) 13.131 4.898 ( 2.540 9.829 0.274) 10.156 5.423 ( 1.491 -0.952 -0.182) 1.778 5.933 ( 0.763 -2.474 0.586) 2.654 6.165 ( -2.159 -22.807 -3.169) 23.128 6.374 ( -6.255 -1.858 -1.462) 6.687 6.830 ( 1.487 -4.103 2.284) 4.926 7.144 ( -0.555 -13.677 1.222) 13.742 9.778 ( 13.502 12.100 -0.282) 18.133 11.268 ( 12.816 25.999 -1.484) 29.024 11.986 ( -8.176 -13.474 -0.062) 15.760 14.115 ( 3.396 -1.197 1.216) 3.800 14.836 ( 7.797 14.681 -0.319) 16.626 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.000 1.191 -0.012) 1.191 2.039 ( 0.000 -0.406 0.126) 0.426 2.472 ( 0.000 7.090 0.974) 7.157 2.765 ( -0.000 -4.532 -0.849) 4.610 3.516 ( 0.000 1.654 0.554) 1.745 4.643 ( -0.000 -2.529 -4.024) 4.753 5.118 ( -0.000 1.591 -3.126) 3.508 5.417 ( -0.000 -11.755 0.345) 11.760 5.490 ( 0.000 -5.883 2.580) 6.424 5.792 ( -0.000 2.139 -2.527) 3.311 6.362 ( -0.000 -4.806 -2.885) 5.606 6.574 ( 0.000 -8.880 6.138) 10.795 6.688 ( 0.000 2.945 2.171) 3.659 10.188 ( -0.000 -5.004 -0.346) 5.016 11.633 ( 0.000 2.154 0.021) 2.154 11.639 ( -0.000 2.846 -0.701) 2.931 13.883 ( 0.000 -2.537 1.540) 2.968 15.473 ( -0.000 -0.923 -1.247) 1.551 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 9.526 0.020 0.355) 9.532 2.062 ( 3.306 -0.083 -0.415) 3.333 2.531 ( 4.524 -3.118 -2.588) 6.074 2.769 ( 1.722 2.720 2.509) 4.082 3.572 ( 5.720 -0.558 -0.193) 5.750 4.525 ( -7.664 -0.903 -6.525) 10.106 5.100 ( -0.153 -1.832 -6.463) 6.719 5.430 ( 3.159 0.521 2.498) 4.061 5.504 ( 1.245 2.196 5.887) 6.405 5.910 ( 12.094 5.197 1.833) 13.290 6.397 ( 8.931 -0.041 -4.628) 10.059 6.527 ( 0.917 -4.966 2.154) 5.490 6.771 ( 6.116 0.398 4.087) 7.367 10.028 ( -14.671 0.309 0.024) 14.674 11.532 ( -15.169 1.563 1.207) 15.297 11.757 ( 12.219 -0.109 -0.172) 12.221 13.865 ( -1.027 -0.367 1.776) 2.084 15.377 ( -9.660 -0.394 -2.334) 9.946 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 8.446 -1.614 -1.743) 8.774 2.166 ( 9.262 0.105 1.214) 9.342 2.562 ( 8.162 -8.765 -2.704) 12.279 2.869 ( 3.550 4.074 2.721) 6.051 3.686 ( 8.893 -1.748 -0.669) 9.088 4.378 ( -8.104 2.572 -4.617) 9.675 5.031 ( -1.388 -4.896 -8.782) 10.150 5.432 ( -4.886 2.593 3.308) 6.445 5.592 ( 1.238 6.126 6.621) 9.105 6.312 ( 21.080 9.606 5.556) 23.822 6.512 ( 1.734 1.229 -2.917) 3.609 6.620 ( 11.601 2.654 -1.717) 12.024 6.949 ( 15.698 1.461 1.929) 15.883 9.763 ( -17.908 5.452 0.432) 18.724 11.170 ( -28.280 -0.540 2.787) 28.422 11.999 ( 15.974 -1.272 -0.130) 16.025 13.866 ( -0.542 3.320 1.829) 3.829 15.134 ( -17.318 0.047 -3.327) 17.635 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 5.451 -3.159 -3.482) 7.198 2.305 ( 6.422 -2.488 2.925) 7.483 2.657 ( 13.337 -7.119 -1.759) 15.220 2.932 ( 1.403 -2.988 0.903) 3.422 3.822 ( 8.088 -1.239 0.075) 8.183 4.277 ( -6.383 4.830 -0.970) 8.063 4.897 ( -4.041 -6.694 -10.388) 13.002 5.391 ( -3.400 2.575 4.486) 6.190 5.691 ( 0.768 6.538 5.465) 8.556 6.514 ( 1.690 0.940 -2.080) 2.840 6.724 ( 4.629 -7.067 -0.353) 8.456 6.775 ( 10.799 15.404 4.743) 19.401 7.361 ( 22.271 6.588 -1.414) 23.268 9.620 ( -7.530 13.664 1.072) 15.638 10.626 ( -34.858 0.112 3.801) 35.065 12.227 ( 12.891 -4.395 0.211) 13.622 13.949 ( 2.873 9.447 1.800) 10.037 14.796 ( -20.700 0.651 -4.229) 21.137 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 1.524 -5.628 -2.624) 6.394 2.361 ( 3.351 -4.672 2.291) 6.189 2.823 ( 13.014 -8.913 -1.698) 15.865 2.856 ( -2.864 -5.979 -0.128) 6.631 3.859 ( -2.582 -3.686 1.735) 4.824 4.293 ( 1.474 5.709 0.357) 5.907 4.714 ( -5.962 -4.372 -8.552) 11.305 5.404 ( 0.235 2.177 2.982) 3.700 5.787 ( 1.364 6.468 5.526) 8.616 6.520 ( -2.155 2.134 -6.305) 6.997 6.684 ( 1.956 -10.509 0.544) 10.703 6.972 ( -3.780 6.692 6.947) 10.360 7.637 ( 5.770 -1.411 -2.987) 6.648 9.736 ( -6.903 13.228 0.932) 14.949 10.224 ( -9.709 17.828 4.585) 20.811 12.317 ( 4.965 -9.177 0.487) 10.445 14.161 ( 6.376 14.323 3.244) 16.010 14.463 ( -16.548 2.609 -6.030) 17.805 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -0.693 -6.050 -1.275) 6.222 2.320 ( -2.053 -7.896 0.812) 8.199 2.690 ( -0.832 -14.401 -1.332) 14.486 2.945 ( 4.720 -2.251 0.156) 5.232 3.735 ( -5.232 -4.922 1.378) 7.315 4.244 ( -10.221 -4.123 -2.254) 11.250 4.701 ( 6.321 6.283 -2.223) 9.186 5.431 ( -0.549 1.534 0.988) 1.906 5.898 ( 2.214 5.174 4.310) 7.088 6.429 ( -3.423 -5.567 -4.609) 7.997 6.561 ( -10.846 -6.275 3.101) 12.908 6.896 ( -3.656 -3.728 2.010) 5.595 7.496 ( -14.231 -8.088 -2.195) 16.515 9.640 ( -8.344 13.741 0.771) 16.095 10.677 ( 19.115 30.192 3.200) 35.878 12.219 ( -3.419 -12.821 0.329) 13.273 14.196 ( -9.595 2.620 0.146) 9.947 14.519 ( 9.652 16.880 -2.257) 19.576 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.000 -0.721 0.722) 1.021 2.032 ( -0.000 -0.116 -0.599) 0.611 2.412 ( -0.000 -9.382 -4.363) 10.347 2.815 ( 0.000 5.974 3.476) 6.911 3.504 ( -0.000 -2.399 -0.702) 2.500 4.569 ( -0.000 0.972 -11.199) 11.241 5.067 ( -0.000 -2.873 -4.083) 4.992 5.435 ( 0.000 12.707 2.155) 12.889 5.559 ( 0.000 5.953 4.086) 7.221 5.920 ( 0.000 9.894 11.401) 15.096 6.299 ( -0.000 1.880 -7.826) 8.049 6.495 ( -0.000 -0.310 -1.714) 1.742 6.743 ( 0.000 -0.111 6.252) 6.253 10.195 ( 0.000 5.700 0.360) 5.712 11.629 ( -0.000 -2.426 -0.366) 2.454 11.678 ( 0.000 0.389 3.103) 3.128 13.888 ( 0.000 1.818 2.015) 2.714 15.450 ( -0.000 0.119 -3.533) 3.535 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 8.638 -1.957 0.458) 8.869 2.059 ( 3.708 -0.014 -0.732) 3.779 2.335 ( 4.850 -11.786 -3.605) 13.245 2.886 ( 0.874 3.961 2.699) 4.872 3.532 ( 6.018 -1.705 -0.657) 6.289 4.501 ( -4.927 2.930 -9.631) 11.208 4.994 ( -2.374 -5.680 -4.072) 7.381 5.541 ( -3.988 6.490 -0.208) 7.620 5.689 ( 1.567 12.605 5.867) 13.991 6.179 ( 11.275 18.092 11.939) 24.433 6.447 ( 13.321 8.146 -3.793) 16.068 6.511 ( 1.438 4.804 -6.224) 7.993 6.795 ( 4.638 -0.438 5.586) 7.274 10.133 ( -15.128 9.861 0.659) 18.070 11.530 ( -14.012 -3.785 3.915) 15.033 11.745 ( 11.398 -0.194 0.622) 11.417 13.920 ( -0.228 4.617 2.066) 5.064 15.357 ( -9.683 0.512 -4.685) 10.769 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 6.981 -3.790 -2.252) 8.257 2.164 ( 8.555 -1.064 0.939) 8.672 2.334 ( 10.755 -12.245 -1.404) 16.358 2.914 ( -0.355 -1.633 1.366) 2.158 3.662 ( 9.537 0.605 -0.185) 9.558 4.422 ( -5.607 3.915 -4.613) 8.249 4.856 ( -3.448 -8.103 -6.406) 10.889 5.500 ( -4.995 2.806 0.922) 5.803 5.797 ( -2.016 9.069 6.635) 11.416 6.495 ( 2.356 5.732 -0.577) 6.224 6.660 ( 0.995 1.864 -0.404) 2.151 6.758 ( 14.905 24.412 1.992) 28.672 7.060 ( 21.435 9.159 2.253) 23.419 9.965 ( -15.865 14.202 1.101) 21.322 11.154 ( -26.537 -3.488 5.311) 27.287 11.974 ( 13.707 -0.526 0.915) 13.748 14.004 ( 2.166 9.090 1.928) 9.541 15.114 ( -17.203 0.744 -5.696) 18.136 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 4.354 -7.035 -3.342) 8.923 2.259 ( 4.622 -3.823 2.360) 6.446 2.461 ( 15.726 -11.811 -0.722) 19.681 2.849 ( -2.289 -5.462 0.301) 5.930 3.818 ( 6.133 0.271 0.011) 6.139 4.363 ( -4.142 3.481 0.718) 5.458 4.705 ( -2.498 -6.346 -8.418) 10.834 5.460 ( -3.017 2.581 2.066) 4.476 5.877 ( -0.495 7.644 6.942) 10.337 6.556 ( 0.218 4.875 -6.601) 8.209 6.603 ( -3.547 -3.923 -0.984) 5.379 7.159 ( 0.782 17.954 8.888) 20.049 7.486 ( 14.334 8.266 -2.836) 16.788 9.966 ( -4.103 19.159 1.454) 19.647 10.687 ( -25.987 4.092 6.119) 27.009 12.150 ( 7.503 -2.989 1.391) 8.195 14.196 ( 6.517 13.636 2.148) 15.266 14.781 ( -19.887 1.222 -6.547) 20.973 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 2.704 -7.755 -2.374) 8.549 2.265 ( 0.684 -6.379 1.637) 6.621 2.489 ( 4.499 -18.644 -1.072) 19.209 2.835 ( 5.537 -1.306 0.543) 5.715 3.808 ( -5.266 -2.891 0.356) 6.018 4.344 ( -4.137 0.018 -0.201) 4.142 4.641 ( 3.408 1.291 -4.822) 6.044 5.464 ( -0.703 2.727 1.578) 3.228 5.970 ( -0.322 7.521 6.499) 9.945 6.430 ( -6.513 -5.648 -4.220) 9.598 6.617 ( 1.040 2.294 -2.246) 3.375 7.123 ( -18.357 3.696 6.355) 19.775 7.623 ( -4.779 3.026 -3.417) 6.608 9.987 ( -13.976 13.999 0.739) 19.795 10.699 ( 9.636 24.047 6.051) 26.603 12.158 ( -1.356 -7.049 1.306) 7.296 14.427 ( -9.831 4.981 2.701) 11.347 14.523 ( 3.097 12.524 -6.571) 14.478 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 0.000 -2.699 1.104) 2.916 2.028 ( -0.000 0.076 -0.909) 0.912 2.157 ( -0.000 -13.212 -4.041) 13.816 2.914 ( 0.000 0.868 1.783) 1.983 3.471 ( 0.000 0.489 0.499) 0.699 4.524 ( -0.000 1.020 -11.058) 11.105 4.946 ( -0.000 -7.973 -1.361) 8.088 5.645 ( -0.000 1.845 -0.635) 1.951 5.864 ( 0.000 23.837 2.684) 23.987 6.321 ( -0.000 6.858 -6.287) 9.303 6.401 ( 0.000 27.743 20.141) 34.283 6.536 ( -0.000 7.216 -8.462) 11.121 6.793 ( 0.000 2.985 4.644) 5.520 10.400 ( 0.000 14.100 0.932) 14.131 11.546 ( -0.000 -5.100 -0.581) 5.133 11.708 ( 0.000 0.018 7.113) 7.113 13.978 ( 0.000 5.937 2.164) 6.319 15.430 ( -0.000 0.960 -6.110) 6.185 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 7.450 -3.748 0.175) 8.342 2.017 ( 3.510 -8.246 -2.497) 9.304 2.092 ( 5.669 -6.490 -0.695) 8.645 2.900 ( -0.508 -4.077 0.771) 4.180 3.541 ( 5.869 2.024 1.563) 6.402 4.484 ( -1.349 0.809 -8.119) 8.270 4.820 ( -3.717 -9.927 -1.498) 10.705 5.609 ( -4.520 1.925 -0.360) 4.926 5.968 ( -4.870 6.714 2.616) 8.697 6.516 ( 3.823 8.496 -3.628) 9.998 6.648 ( 6.972 11.913 -5.126) 14.724 6.834 ( 6.621 28.615 7.305) 30.265 6.921 ( 9.907 16.762 8.963) 21.435 10.397 ( -15.641 15.807 1.023) 22.261 11.444 ( -10.366 -6.448 3.479) 12.694 11.796 ( 8.606 4.151 5.316) 10.934 14.064 ( 1.553 8.528 2.078) 8.914 15.335 ( -9.796 1.134 -7.482) 12.378 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 4.553 -9.828 -3.144) 11.278 2.089 ( 14.604 -9.294 0.248) 17.312 2.149 ( 5.290 -3.323 1.203) 6.362 2.819 ( -1.718 -8.249 0.115) 8.427 3.688 ( 8.545 -0.003 1.099) 8.615 4.453 ( -1.941 1.485 -2.431) 3.447 4.648 ( -3.199 -9.016 -3.554) 10.205 5.557 ( -4.241 3.260 0.325) 5.359 5.970 ( -0.704 3.063 5.304) 6.166 6.569 ( 0.477 3.204 -7.246) 7.937 6.683 ( -5.500 1.678 -2.981) 6.477 7.345 ( 10.568 31.203 3.596) 33.140 7.363 ( 10.527 19.585 7.682) 23.525 10.302 ( -12.971 18.602 1.380) 22.720 11.127 ( -20.944 -2.088 5.991) 21.884 12.029 ( 8.704 5.081 4.362) 10.982 14.225 ( 5.280 11.681 2.211) 13.008 15.086 ( -17.076 0.966 -8.511) 19.104 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 5.818 -11.157 -2.644) 12.858 2.184 ( 3.344 -6.343 1.325) 7.291 2.206 ( 8.614 -12.444 0.237) 15.137 2.733 ( 2.564 -6.650 0.261) 7.132 3.786 ( 4.168 -4.728 -0.133) 6.304 4.413 ( -3.720 0.502 2.268) 4.385 4.570 ( 2.846 -2.314 -5.554) 6.656 5.536 ( -3.235 4.837 0.801) 5.874 6.042 ( 2.339 3.660 6.654) 7.946 6.507 ( -6.584 -3.334 -6.448) 9.801 6.612 ( -0.952 2.132 -3.105) 3.885 7.514 ( -13.765 13.030 8.405) 20.734 7.735 ( 1.457 19.519 -2.425) 19.723 10.333 ( -8.733 17.656 0.609) 19.708 10.893 ( -8.182 12.139 7.008) 16.230 12.156 ( -0.425 2.268 3.995) 4.614 14.480 ( 8.800 13.038 3.582) 16.133 14.755 ( -18.667 1.255 -9.271) 20.881 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.000 -4.390 1.032) 4.510 1.854 ( -0.000 -15.288 -3.284) 15.637 2.018 ( -0.000 -0.644 -0.775) 1.008 2.847 ( -0.000 -8.209 0.061) 8.209 3.518 ( 0.000 1.050 3.214) 3.382 4.458 ( -0.000 -1.690 -7.160) 7.357 4.752 ( -0.000 -10.660 0.197) 10.661 5.672 ( -0.000 2.482 -0.326) 2.503 5.982 ( -0.000 -9.659 -0.664) 9.682 6.628 ( -0.000 7.415 -11.015) 13.278 6.635 ( 0.000 12.094 2.425) 12.335 7.064 ( 0.000 32.031 -0.904) 32.044 7.166 ( 0.000 35.386 18.930) 40.131 10.716 ( 0.000 16.520 0.721) 16.536 11.454 ( -0.000 -3.063 -0.543) 3.111 11.809 ( 0.000 5.137 12.475) 13.491 14.140 ( 0.000 9.045 2.102) 9.286 15.406 ( -0.000 1.594 -9.494) 9.626 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 2.627 -14.824 -2.906) 15.333 1.804 ( 9.234 -6.540 0.871) 11.349 2.044 ( 4.030 -1.815 -0.163) 4.423 2.739 ( -0.656 -12.459 -0.351) 12.481 3.559 ( 4.845 -4.118 2.598) 6.869 4.431 ( 1.381 -1.886 -3.832) 4.489 4.622 ( -3.382 -8.971 0.691) 9.612 5.662 ( -3.706 4.308 0.404) 5.697 5.916 ( 5.009 -10.477 1.533) 11.714 6.585 ( -3.540 1.338 -5.927) 7.032 6.733 ( 0.597 1.010 -5.394) 5.520 7.498 ( 5.551 40.993 0.342) 41.369 7.606 ( 3.732 32.914 15.614) 36.621 10.730 ( -14.283 17.067 0.674) 22.266 11.368 ( -8.981 -2.288 2.602) 9.626 11.997 ( 7.140 11.059 11.871) 17.725 14.266 ( 3.184 10.307 2.430) 11.058 15.301 ( -10.095 1.556 -11.366) 15.281 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 6.266 -15.004 -2.201) 16.408 1.920 ( 10.926 -9.025 0.689) 14.188 2.091 ( 3.905 -3.661 0.459) 5.372 2.603 ( 1.430 -13.593 -0.270) 13.671 3.601 ( 7.775 -10.532 0.594) 13.105 4.445 ( 2.566 -1.366 -0.461) 2.943 4.500 ( -2.334 -4.344 -0.265) 4.938 5.667 ( -3.629 8.107 1.150) 8.956 5.953 ( 8.517 -7.595 3.249) 11.865 6.488 ( -2.547 -7.035 -4.665) 8.817 6.682 ( -3.725 0.106 -5.380) 6.545 7.894 ( -5.429 29.610 4.998) 30.516 7.975 ( -0.396 28.852 4.755) 29.244 10.680 ( -11.463 18.967 0.817) 22.176 11.181 ( -12.256 4.438 4.819) 13.897 12.238 ( 1.667 11.472 9.900) 15.244 14.471 ( 7.334 10.968 4.034) 13.796 15.039 ( -16.985 1.047 -12.446) 21.082 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -0.000 -17.041 -2.548) 17.230 1.663 ( 0.000 -6.978 0.652) 7.008 1.990 ( -0.000 -1.751 -0.488) 1.818 2.596 ( -0.000 -17.428 -0.716) 17.443 3.452 ( 0.000 -11.567 2.035) 11.745 4.391 ( -0.000 -2.093 0.113) 2.096 4.569 ( 0.000 -7.735 0.795) 7.775 5.683 ( 0.000 -19.761 2.077) 19.870 5.780 ( 0.000 9.102 1.064) 9.164 6.643 ( -0.000 0.229 -9.828) 9.831 6.652 ( -0.000 -6.532 -2.754) 7.089 7.904 ( 0.000 46.914 1.074) 46.926 7.951 ( 0.000 32.293 15.331) 35.748 11.023 ( 0.000 14.696 -0.173) 14.697 11.447 ( -0.000 2.972 -0.401) 2.999 12.101 ( 0.000 14.193 19.517) 24.132 14.343 ( 0.000 9.521 2.939) 9.964 15.368 ( -0.000 2.375 -14.752) 14.941 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 4.034 -17.348 -1.951) 17.917 1.666 ( 8.557 -8.995 0.486) 12.425 1.998 ( 3.004 -2.859 -0.157) 4.150 2.410 ( 1.408 -20.801 -0.781) 20.863 3.348 ( 5.146 -18.304 0.471) 19.020 4.381 ( 1.259 -3.105 2.352) 4.094 4.498 ( -1.452 -3.897 0.319) 4.171 5.595 ( 11.416 -17.355 3.599) 21.083 5.874 ( -2.209 11.198 1.883) 11.568 6.465 ( -5.687 -10.210 -3.863) 12.309 6.646 ( 2.306 -5.487 -7.725) 9.752 8.287 ( -1.171 27.040 11.714) 29.492 8.340 ( -2.945 42.469 0.788) 42.579 11.062 ( -10.670 16.865 -0.030) 19.957 11.409 ( -8.339 4.944 1.733) 9.848 12.374 ( 3.973 16.823 19.084) 25.749 14.479 ( 4.411 8.478 5.078) 10.822 15.247 ( -10.629 2.437 -17.691) 20.782 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -0.000 -18.757 -1.774) 18.840 1.483 ( -0.000 -12.304 0.129) 12.305 1.944 ( -0.000 -2.665 -0.209) 2.673 2.155 ( -0.000 -26.980 -0.997) 26.998 3.090 ( -0.000 -24.556 -0.294) 24.558 4.344 ( 0.000 -5.579 3.717) 6.704 4.495 ( 0.000 0.164 1.486) 1.495 5.280 ( 0.000 -22.370 3.829) 22.695 6.037 ( 0.000 13.383 6.290) 14.787 6.400 ( -0.000 -15.473 -5.237) 16.335 6.505 ( -0.000 -7.412 -8.644) 11.387 8.583 ( 0.000 23.329 10.539) 25.599 8.796 ( 0.000 42.105 1.515) 42.132 11.307 ( 0.000 15.091 -0.717) 15.108 11.558 ( 0.000 8.092 -0.354) 8.100 12.583 ( 0.000 18.937 26.911) 32.906 14.527 ( 0.000 5.315 7.262) 8.999 15.309 ( -0.000 4.259 -23.878) 24.255 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.106 ( 0.000 -0.000 5.440) 5.440 0.106 ( 0.000 -0.000 5.440) 5.440 0.257 ( 0.000 -0.000 12.803) 12.803 1.826 ( 0.000 -0.000 0.830) 0.830 1.826 ( 0.000 -0.000 0.830) 0.830 4.114 ( -0.000 0.000 -1.805) 1.805 4.563 ( 0.000 -0.000 4.315) 4.315 4.563 ( 0.000 -0.000 4.315) 4.315 5.576 ( -0.000 0.000 -5.601) 5.601 5.576 ( -0.000 0.000 -5.601) 5.601 6.448 ( 0.000 -0.000 2.194) 2.194 6.859 ( -0.000 0.000 -1.944) 1.944 10.173 ( 0.000 -0.000 1.370) 1.370 10.173 ( 0.000 -0.000 1.370) 1.370 11.921 ( -0.000 0.000 -0.367) 0.367 11.921 ( -0.000 0.000 -0.367) 0.367 14.374 ( -0.000 0.000 -0.337) 0.337 16.927 ( -0.000 0.000 -0.347) 0.347 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 13.187 7.613 7.454) 16.953 0.649 ( 25.215 14.558 0.019) 29.115 0.803 ( 33.876 19.558 0.631) 39.122 1.850 ( 1.800 1.039 0.944) 2.283 2.065 ( 18.400 10.623 1.542) 21.303 4.106 ( 2.189 1.264 -3.899) 4.646 4.690 ( 0.235 0.136 1.882) 1.902 4.745 ( 11.491 6.634 7.827) 15.405 5.584 ( 6.044 3.489 -9.558) 11.835 5.746 ( 14.400 8.314 -6.191) 17.743 6.754 ( -7.238 -4.179 -0.920) 8.408 8.483 ( 49.609 28.642 -58.790) 82.083 10.032 ( -13.599 -7.852 1.880) 15.815 11.015 ( 59.729 34.485 -64.533) 94.453 11.861 ( -4.785 -2.763 -0.501) 5.548 11.891 ( 1.019 0.589 -4.461) 4.614 14.397 ( 2.458 1.419 -1.074) 3.035 16.424 ( -32.989 -19.046 25.131) 45.636 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 15.568 8.988 4.298) 18.483 1.134 ( 17.676 10.205 -1.229) 20.448 1.526 ( 29.575 17.075 -0.042) 34.150 1.905 ( 2.608 1.506 1.000) 3.173 2.570 ( 24.140 13.937 1.375) 27.908 4.180 ( 5.587 3.226 -4.164) 7.678 4.664 ( -2.411 -1.392 2.863) 3.993 5.111 ( 17.768 10.258 10.008) 22.827 5.768 ( 12.561 7.252 -11.727) 18.652 6.032 ( 9.029 5.213 -9.482) 14.093 6.582 ( -6.596 -3.808 8.135) 11.144 8.745 ( -0.083 -0.048 -22.902) 22.903 9.581 ( -26.524 -15.314 1.817) 30.682 11.417 ( -2.360 -1.363 -19.270) 19.462 11.716 ( -7.475 -4.316 -0.369) 8.639 12.107 ( 16.302 9.412 -42.854) 46.806 14.482 ( 5.545 3.201 -4.329) 7.729 15.823 ( -27.428 -15.835 27.098) 41.682 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 15.316 8.843 3.196) 17.972 1.446 ( 10.760 6.213 -1.461) 12.511 1.966 ( 2.315 1.336 0.950) 2.837 2.117 ( 22.585 13.039 -0.548) 26.084 3.096 ( 21.095 12.179 0.430) 24.362 4.330 ( 8.528 4.923 -3.039) 10.305 4.609 ( -2.915 -1.683 1.972) 3.901 5.570 ( 18.979 10.957 10.209) 24.176 5.988 ( -7.939 -4.583 -7.531) 11.863 6.032 ( 13.207 7.625 -11.883) 19.333 6.561 ( -1.093 -0.631 10.506) 10.581 8.545 ( -11.181 -6.455 -13.160) 18.435 8.869 ( -36.447 -21.043 1.343) 42.107 11.222 ( -9.173 -5.296 -5.100) 11.756 11.548 ( -6.663 -3.847 -0.043) 7.694 12.125 ( -2.278 -1.315 -33.082) 33.186 14.583 ( 3.824 2.208 -6.965) 8.247 15.369 ( -19.242 -11.110 22.016) 31.279 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 14.545 8.397 3.187) 17.094 1.633 ( 6.626 3.825 -1.275) 7.756 2.012 ( 1.439 0.831 0.901) 1.891 2.537 ( 14.930 8.620 -0.809) 17.258 3.473 ( 11.470 6.622 -1.474) 13.326 4.490 ( 1.817 1.049 0.395) 2.134 4.589 ( 4.358 2.516 1.502) 5.252 5.759 ( -9.475 -5.470 -1.609) 11.059 5.971 ( 11.574 6.682 9.189) 16.219 6.265 ( 11.424 6.596 -10.960) 17.150 6.480 ( -8.400 -4.849 3.723) 10.389 7.982 ( -41.509 -23.965 0.841) 47.937 8.187 ( -17.373 -10.031 -7.186) 21.310 10.994 ( -10.690 -6.172 -0.788) 12.369 11.444 ( -2.198 -1.269 0.321) 2.558 11.895 ( -7.840 -4.527 -22.737) 24.473 14.556 ( -4.904 -2.831 -5.422) 7.840 15.138 ( -6.243 -3.604 15.424) 17.026 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 4.463 2.577 -1.105) 5.271 1.861 ( 13.293 7.675 3.662) 15.781 2.035 ( 0.359 0.208 0.904) 0.995 2.791 ( 8.012 4.626 -0.922) 9.298 3.594 ( 0.849 0.490 -3.163) 3.311 4.410 ( -8.665 -5.003 7.538) 12.527 4.773 ( 8.820 5.092 0.360) 10.191 5.592 ( -4.673 -2.698 -0.549) 5.424 6.065 ( -3.890 -2.246 2.614) 5.197 6.255 ( -9.815 -5.666 -2.961) 11.713 6.520 ( 11.453 6.612 -4.612) 14.006 7.065 ( -37.588 -21.702 0.703) 43.409 7.733 ( -20.965 -12.104 -2.659) 24.354 10.707 ( -14.441 -8.338 -0.428) 16.681 11.455 ( 2.732 1.578 0.552) 3.203 11.714 ( -2.154 -1.244 -14.090) 14.308 14.378 ( -8.108 -4.681 -3.090) 9.859 15.130 ( 0.350 0.202 9.691) 9.700 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 3.065 1.769 -1.049) 3.691 2.034 ( -0.663 -0.383 0.911) 1.190 2.145 ( 10.317 5.956 4.009) 12.569 2.894 ( 1.525 0.880 -1.762) 2.491 3.569 ( -0.621 -0.359 -1.965) 2.092 4.158 ( -15.021 -8.673 11.099) 20.592 4.953 ( 6.672 3.852 -0.594) 7.727 5.516 ( -3.147 -1.817 0.692) 3.700 5.877 ( -12.177 -7.030 -3.101) 14.399 6.103 ( -0.878 -0.507 -7.583) 7.651 6.261 ( -24.598 -14.202 5.887) 29.007 6.816 ( 8.176 4.720 -3.939) 10.230 7.253 ( -20.370 -11.761 -0.491) 23.527 10.386 ( -12.487 -7.209 -0.856) 14.444 11.543 ( 4.181 2.414 0.567) 4.860 11.692 ( 2.412 1.393 -7.356) 7.866 14.208 ( -5.762 -3.326 -3.584) 7.557 15.174 ( 0.752 0.434 7.389) 7.440 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 1.618 0.934 -1.040) 2.138 2.016 ( -1.001 -0.578 0.868) 1.446 2.317 ( 2.965 1.712 3.388) 4.816 2.884 ( -0.285 -0.164 -2.357) 2.380 3.573 ( -0.262 -0.151 -2.026) 2.049 3.907 ( -7.412 -4.279 13.820) 16.256 5.057 ( 2.878 1.661 -1.815) 3.786 5.455 ( -1.991 -1.150 3.194) 3.935 5.582 ( -8.057 -4.652 -6.088) 11.118 5.948 ( -7.038 -4.064 9.136) 12.228 6.163 ( 7.516 4.339 -8.868) 12.408 6.847 ( -14.581 -8.418 -1.216) 16.881 6.945 ( 3.681 2.125 -3.625) 5.586 10.187 ( -4.301 -2.483 -0.380) 4.981 11.617 ( 1.731 1.000 0.424) 2.044 11.741 ( 2.967 1.713 -3.343) 4.787 14.101 ( -2.436 -1.406 -4.727) 5.500 15.203 ( -0.138 -0.080 6.396) 6.398 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -0.578 -0.334 -0.764) 1.014 2.004 ( -0.135 -0.078 0.516) 0.539 2.279 ( -6.440 -3.718 1.541) 7.594 2.910 ( 2.564 1.480 -0.975) 3.116 3.501 ( -2.793 -1.612 -1.759) 3.673 3.976 ( 6.701 3.869 13.323) 15.407 5.064 ( -2.070 -1.195 -1.574) 2.862 5.476 ( 2.963 1.711 4.106) 5.345 5.600 ( 11.744 6.780 -5.990) 14.825 5.934 ( 2.598 1.500 9.157) 9.636 6.311 ( 4.256 2.457 -2.229) 5.397 6.660 ( 2.894 1.671 -9.198) 9.786 6.956 ( -1.553 -0.897 -3.135) 3.612 10.201 ( 5.465 3.155 0.143) 6.312 11.613 ( -2.173 -1.254 0.264) 2.523 11.795 ( 2.450 1.414 -1.360) 3.139 14.068 ( 0.919 0.531 -5.717) 5.814 15.211 ( -0.957 -0.553 6.437) 6.531 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -2.609 -1.506 -0.363) 3.034 2.010 ( 0.319 0.184 0.090) 0.379 2.079 ( -10.981 -6.340 0.963) 12.716 2.934 ( -1.305 -0.754 0.238) 1.526 3.511 ( 3.895 2.249 -2.553) 5.172 4.183 ( 7.131 4.117 10.044) 12.988 4.952 ( -7.145 -4.125 -0.762) 8.286 5.579 ( 3.740 2.159 3.207) 5.379 5.944 ( 10.979 6.339 -1.865) 12.814 6.169 ( 21.784 12.577 3.183) 25.354 6.338 ( 1.365 0.788 5.348) 5.575 6.878 ( -3.537 -2.042 -1.029) 4.211 6.947 ( 22.682 13.096 -15.540) 30.455 10.414 ( 12.551 7.246 0.148) 14.493 11.533 ( -4.406 -2.544 0.190) 5.091 11.855 ( 3.796 2.192 -1.398) 4.601 14.106 ( 4.235 2.445 -6.239) 7.927 15.206 ( -1.325 -0.765 7.746) 7.896 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -3.995 -2.307 -0.170) 4.617 1.808 ( -13.118 -7.574 1.273) 15.201 2.009 ( -0.447 -0.258 0.006) 0.516 2.837 ( -7.654 -4.419 1.019) 8.896 3.584 ( 1.190 0.687 -3.320) 3.593 4.335 ( 4.101 2.368 4.661) 6.644 4.762 ( -8.875 -5.124 -0.589) 10.265 5.652 ( 3.147 1.817 1.628) 3.982 5.985 ( -5.778 -3.336 -0.942) 6.738 6.452 ( 5.557 3.208 7.470) 9.847 6.652 ( 4.768 2.753 0.798) 5.563 7.050 ( 30.809 17.787 0.327) 35.576 7.490 ( 28.370 16.380 -14.234) 35.718 10.724 ( 13.959 8.059 -0.015) 16.118 11.446 ( -2.616 -1.510 0.221) 3.029 11.987 ( 9.357 5.402 -4.423) 11.675 14.218 ( 7.297 4.213 -6.104) 10.404 15.205 ( -1.271 -0.734 10.438) 10.541 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -14.683 -8.477 1.584) 17.029 1.666 ( -6.128 -3.538 -0.062) 7.077 1.988 ( -1.492 -0.861 0.061) 1.724 2.586 ( -15.132 -8.736 1.197) 17.514 3.470 ( -11.187 -6.459 -1.627) 13.019 4.399 ( 1.015 0.586 -1.516) 1.916 4.576 ( -6.908 -3.989 -0.514) 7.994 5.711 ( -16.471 -9.510 -3.811) 19.397 5.788 ( 9.266 5.350 -0.497) 10.711 6.560 ( 0.545 0.315 7.461) 7.487 6.612 ( -6.538 -3.775 5.507) 9.344 7.918 ( 40.835 23.576 -1.721) 47.183 8.082 ( 26.741 15.439 -11.760) 33.041 11.021 ( 12.458 7.192 0.332) 14.389 11.443 ( 2.579 1.489 0.312) 2.994 12.256 ( 16.221 9.365 -11.885) 22.183 14.384 ( 8.638 4.987 -5.913) 11.595 15.223 ( -0.495 -0.286 15.058) 15.068 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 0.000 14.914 7.295) 16.602 0.649 ( 0.000 29.598 0.031) 29.598 0.829 ( 0.000 39.136 1.560) 39.167 1.851 ( 0.000 1.911 0.958) 2.138 2.075 ( 0.000 21.786 1.708) 21.853 4.087 ( -0.000 1.632 -4.242) 4.545 4.623 ( 0.000 6.909 3.087) 7.568 4.632 ( 0.000 -5.834 2.556) 6.370 5.637 ( -0.000 14.245 -9.697) 17.232 5.736 ( -0.000 14.955 -4.089) 15.504 6.757 ( -0.000 -6.752 -1.100) 6.841 8.272 ( -0.000 62.562 -57.159) 84.742 10.001 ( -0.000 -17.410 1.134) 17.447 10.910 ( -0.000 66.513 -48.396) 82.257 11.834 ( -0.000 -8.278 -0.283) 8.283 11.870 ( -0.000 -5.061 -0.253) 5.067 14.393 ( -0.000 2.380 -0.895) 2.543 16.531 ( 0.000 -30.155 18.255) 35.250 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 8.851 15.011 4.692) 18.046 1.054 ( 12.163 21.815 -0.558) 24.983 1.341 ( 16.035 30.859 0.573) 34.781 1.894 ( 1.819 2.695 0.969) 3.392 2.433 ( 13.075 23.746 1.821) 27.169 4.123 ( 3.187 3.575 -4.768) 6.758 4.596 ( 2.392 -7.321 2.889) 8.226 4.948 ( 20.415 10.980 4.483) 23.610 5.725 ( -0.521 15.490 -8.949) 17.897 5.954 ( 6.221 13.255 -7.397) 16.405 6.659 ( -3.597 -4.158 5.061) 7.473 8.591 ( 8.048 6.654 -32.163) 33.816 9.713 ( -10.964 -24.580 1.301) 26.946 11.357 ( 2.564 22.070 -39.435) 45.264 11.700 ( -3.333 -12.044 -0.830) 12.524 11.905 ( 10.082 7.652 -16.157) 20.524 14.437 ( 2.501 3.420 -2.317) 4.830 16.133 ( -19.300 -22.774 21.827) 36.980 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 11.931 13.325 3.171) 18.165 1.409 ( 7.786 16.294 -0.902) 18.082 1.892 ( 17.085 16.521 -0.104) 23.766 1.970 ( 4.143 6.731 0.818) 7.945 2.923 ( 17.249 20.023 1.178) 26.455 4.238 ( 6.713 5.361 -3.760) 9.378 4.573 ( 1.747 -6.535 1.571) 6.945 5.451 ( 19.707 15.200 7.978) 26.136 5.882 ( 6.028 10.978 -9.790) 15.896 6.016 ( -3.137 0.156 -9.185) 9.708 6.653 ( -1.810 4.445 11.964) 12.891 8.526 ( -2.198 -9.239 -19.672) 21.844 9.164 ( -23.767 -27.195 1.171) 36.136 11.255 ( -6.445 -6.334 -11.512) 14.635 11.496 ( -3.546 -15.338 -3.211) 16.067 12.077 ( 3.534 8.414 -27.020) 28.520 14.520 ( 4.220 3.071 -4.701) 7.024 15.658 ( -21.240 -15.894 20.531) 33.545 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 12.624 12.141 2.859) 17.747 1.639 ( 3.207 13.163 -0.775) 13.570 2.014 ( 1.316 3.041 0.484) 3.349 2.365 ( 15.933 11.998 -0.447) 19.950 3.361 ( 13.060 14.186 -0.194) 19.283 4.408 ( 7.410 3.513 -2.183) 8.486 4.551 ( 2.209 -2.790 1.381) 3.817 5.824 ( -5.782 -7.674 -2.919) 10.042 5.909 ( 12.491 11.060 7.386) 18.246 6.110 ( 8.093 11.746 -8.944) 16.836 6.644 ( -8.820 2.013 8.663) 12.525 8.233 ( -13.346 -19.009 -11.621) 25.971 8.438 ( -29.883 -20.267 -0.729) 36.115 11.030 ( -6.858 -12.820 -1.783) 14.648 11.299 ( 2.387 -16.567 -6.997) 18.141 12.013 ( -8.254 5.174 -18.547) 20.950 14.574 ( 0.322 1.077 -6.435) 6.533 15.278 ( -13.659 -11.438 17.940) 25.283 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 11.864 10.570 3.583) 16.288 1.786 ( 0.494 12.209 -0.924) 12.254 2.058 ( 0.097 3.413 0.347) 3.432 2.679 ( 10.984 6.215 -0.645) 12.637 3.596 ( 2.340 7.131 -2.320) 7.856 4.458 ( 0.318 -4.001 2.589) 4.776 4.671 ( 7.820 4.003 1.957) 9.000 5.636 ( -5.686 -6.305 -0.385) 8.499 6.087 ( 2.365 -2.318 -0.929) 3.439 6.334 ( -0.545 5.877 2.216) 6.304 6.505 ( -4.892 7.414 -0.208) 8.885 7.497 ( -36.302 -23.590 -1.477) 43.319 7.942 ( -17.966 -10.455 -6.004) 21.636 10.738 ( -8.502 -19.627 0.049) 21.389 11.253 ( 11.182 -12.031 -7.099) 17.893 11.854 ( -10.682 7.546 -10.157) 16.559 14.478 ( -8.311 -1.792 -5.402) 10.073 15.119 ( -0.644 -8.208 13.492) 15.806 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -1.207 10.261 -0.161) 10.332 2.010 ( 4.603 4.190 2.081) 6.564 2.126 ( 4.067 9.847 1.633) 10.778 2.855 ( 4.934 2.605 -1.151) 5.697 3.605 ( -3.542 2.677 -2.648) 5.170 4.351 ( -10.368 -5.889 9.489) 15.239 4.844 ( 8.374 1.557 1.107) 8.589 5.530 ( -1.539 -3.409 -0.065) 3.741 6.002 ( -5.373 -4.863 -4.025) 8.290 6.175 ( -11.532 1.279 -1.265) 11.671 6.583 ( -16.680 -5.359 1.528) 17.586 6.804 ( -10.185 1.321 -2.081) 10.480 7.498 ( -20.957 -9.282 -3.570) 23.197 10.393 ( -7.172 -21.142 -0.742) 22.338 11.363 ( 14.670 -8.411 -5.099) 17.662 11.763 ( -7.145 9.390 -4.181) 12.518 14.282 ( -8.697 -3.131 -4.466) 10.266 15.121 ( 4.135 -7.483 9.561) 12.826 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -2.620 9.548 -0.362) 9.908 2.037 ( -1.263 0.888 0.847) 1.761 2.338 ( 3.834 10.515 3.226) 11.648 2.891 ( -0.875 0.658 -2.484) 2.714 3.584 ( -0.652 2.802 -1.055) 3.064 4.102 ( -14.282 -4.512 12.893) 19.763 4.974 ( 6.221 -1.167 -0.562) 6.355 5.479 ( -1.731 -2.675 1.920) 3.720 5.802 ( -15.370 2.501 -5.330) 16.459 6.037 ( -4.466 -1.353 -4.357) 6.385 6.196 ( -10.466 4.393 3.877) 11.995 6.886 ( 2.765 2.244 -2.572) 4.392 7.064 ( -18.577 -4.474 -3.124) 19.362 10.123 ( -1.210 -17.419 -0.592) 17.471 11.516 ( 13.797 -8.132 -3.566) 16.407 11.748 ( -5.339 9.417 -0.873) 10.860 14.120 ( -4.714 -3.074 -5.004) 7.531 15.148 ( 4.434 -7.977 7.600) 11.876 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -4.371 7.636 -0.719) 8.828 2.026 ( -1.399 1.808 1.072) 2.525 2.409 ( -6.333 5.122 2.108) 8.413 2.888 ( 1.265 2.230 -2.140) 3.340 3.574 ( -4.834 2.037 -0.981) 5.337 3.991 ( -0.444 2.403 14.243) 14.452 5.022 ( 2.703 -4.032 -1.403) 5.053 5.446 ( 0.190 -1.226 2.022) 2.372 5.659 ( -5.140 13.088 -4.141) 14.658 5.992 ( -1.112 4.309 5.935) 7.419 6.273 ( 4.331 11.723 -4.268) 13.206 6.695 ( -10.155 -4.817 -4.320) 12.041 6.970 ( -1.018 3.042 -3.797) 4.971 10.031 ( 7.833 -12.066 -0.139) 14.386 11.626 ( 10.855 -11.530 -2.444) 16.023 11.743 ( -6.416 10.475 0.368) 12.290 14.037 ( -0.256 -1.609 -5.707) 5.935 15.161 ( 3.945 -8.448 6.868) 11.580 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -5.416 4.278 -0.353) 6.911 2.032 ( -2.024 3.581 0.782) 4.187 2.271 ( -12.745 1.559 0.686) 12.858 2.937 ( 0.989 1.290 -0.695) 1.768 3.523 ( -2.233 4.556 -0.618) 5.111 4.147 ( 6.533 4.854 11.720) 14.268 4.969 ( -2.009 -7.329 -0.924) 7.655 5.503 ( 5.631 -0.071 2.227) 6.056 5.825 ( 8.596 11.774 -4.485) 15.252 6.153 ( 5.665 18.611 7.470) 20.839 6.370 ( -2.159 1.822 3.981) 4.881 6.694 ( 11.713 8.712 -12.671) 19.330 6.949 ( -2.451 4.952 -4.655) 7.225 10.145 ( 16.549 -7.665 -0.087) 18.238 11.602 ( -0.366 -9.286 -0.601) 9.313 11.780 ( 1.193 6.481 -1.168) 6.693 14.044 ( 3.356 1.411 -5.980) 7.001 15.164 ( 3.654 -8.570 7.349) 11.866 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -6.601 1.787 0.234) 6.842 1.981 ( -10.221 0.423 1.023) 10.281 2.088 ( -7.698 3.780 -0.145) 8.577 2.903 ( -4.254 -3.001 0.438) 5.224 3.580 ( 1.326 6.083 -2.426) 6.682 4.318 ( 4.173 3.564 7.977) 9.682 4.817 ( -5.681 -8.849 -0.580) 10.532 5.590 ( 4.413 -1.708 1.506) 4.966 6.012 ( 3.804 2.014 -1.922) 4.714 6.410 ( 3.581 2.649 6.345) 7.752 6.582 ( 12.209 18.563 1.960) 22.305 6.869 ( 9.475 7.960 -0.038) 12.375 7.198 ( 19.774 20.610 -14.461) 32.014 10.412 ( 21.484 -5.293 -0.429) 22.131 11.479 ( -2.662 -8.345 -0.374) 8.768 11.894 ( 5.584 7.261 -3.567) 9.830 14.137 ( 5.915 5.154 -5.560) 9.616 15.169 ( 3.758 -8.469 9.045) 12.949 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -14.105 -5.062 1.929) 15.109 1.811 ( -10.276 4.788 -0.512) 11.349 2.043 ( -3.816 2.879 0.027) 4.781 2.733 ( -10.618 -6.796 0.885) 12.637 3.584 ( -6.280 1.254 -2.550) 6.893 4.398 ( 0.286 1.668 2.840) 3.306 4.631 ( -5.842 -7.269 -0.921) 9.371 5.665 ( 6.556 -0.297 -0.092) 6.563 5.935 ( -12.177 -0.011 -2.472) 12.425 6.523 ( 3.522 -1.122 6.584) 7.550 6.686 ( -1.130 -0.775 4.702) 4.898 7.501 ( 33.832 25.358 -0.361) 42.282 7.746 ( 26.131 17.603 -13.361) 34.223 10.735 ( 21.530 -3.637 -0.471) 21.840 11.385 ( 1.760 -7.289 -0.871) 7.549 12.099 ( 10.388 11.017 -8.853) 17.541 14.300 ( 7.226 8.057 -4.744) 11.816 15.188 ( 4.427 -8.428 12.057) 15.362 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.000 18.340 4.477) 18.878 1.144 ( 0.000 20.935 -1.077) 20.962 1.564 ( 0.000 34.633 0.688) 34.640 1.905 ( 0.000 2.745 0.979) 2.914 2.594 ( 0.000 27.792 1.847) 27.853 4.121 ( -0.000 5.189 -5.325) 7.435 4.526 ( 0.000 -4.828 0.994) 4.930 4.872 ( 0.000 16.296 2.699) 16.518 5.855 ( -0.000 10.289 -9.389) 13.929 6.066 ( -0.000 20.052 -3.659) 20.383 6.666 ( 0.000 -1.180 6.745) 6.847 8.467 ( -0.000 -0.289 -28.775) 28.777 9.521 ( -0.000 -32.021 1.026) 32.037 11.528 ( -0.000 22.867 -40.619) 46.613 11.625 ( -0.000 -7.194 -4.985) 8.752 11.732 ( -0.000 -8.466 -0.133) 8.467 14.440 ( -0.000 2.556 -2.054) 3.280 16.129 ( 0.000 -22.936 17.530) 28.868 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 4.990 17.635 3.175) 18.601 1.415 ( 9.255 15.194 -0.897) 17.813 1.907 ( 3.160 18.889 0.126) 19.152 1.981 ( 4.645 12.039 0.767) 12.927 2.933 ( 8.013 24.462 1.308) 25.774 4.195 ( 3.598 6.815 -3.869) 8.623 4.498 ( 0.838 -3.520 0.721) 3.690 5.238 ( 19.106 15.908 2.965) 25.038 5.896 ( 0.917 1.731 -7.305) 7.563 6.170 ( -7.458 17.156 -4.951) 19.351 6.746 ( 1.989 6.652 11.578) 13.500 8.341 ( 1.862 -13.333 -22.673) 26.369 9.119 ( -7.934 -36.242 1.034) 37.114 11.341 ( -15.446 -3.284 -13.767) 20.950 11.419 ( -4.575 -13.893 -3.059) 14.944 11.923 ( 13.632 4.230 -19.164) 23.895 14.471 ( 2.513 0.751 -2.575) 3.676 15.856 ( -13.374 -17.576 15.438) 26.947 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 8.501 16.071 2.512) 18.354 1.696 ( 7.360 12.857 -0.455) 14.822 2.014 ( 2.432 3.483 -0.027) 4.248 2.291 ( 8.233 17.755 -0.164) 19.572 3.316 ( 11.103 18.229 0.670) 21.355 4.336 ( 5.200 5.882 -2.190) 8.151 4.489 ( 1.806 -1.426 0.501) 2.355 5.690 ( 15.176 4.863 0.768) 15.955 5.851 ( -0.763 -3.290 -2.669) 4.305 6.238 ( -2.300 20.694 -2.522) 20.974 6.833 ( -4.995 4.224 11.833) 13.521 8.114 ( -1.819 -20.711 -17.884) 27.424 8.580 ( -15.159 -32.004 0.742) 35.420 11.006 ( -9.392 -14.196 -4.526) 17.614 11.163 ( -7.462 -12.979 -7.667) 16.820 12.041 ( 3.596 1.384 -14.148) 14.664 14.517 ( 3.962 -1.380 -3.434) 5.422 15.484 ( -17.314 -12.834 13.835) 25.610 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 9.735 14.333 3.081) 17.598 1.909 ( 2.633 14.329 -0.441) 14.576 2.081 ( 1.554 3.563 -0.579) 3.930 2.568 ( 9.002 9.100 -0.446) 12.808 3.622 ( 6.040 11.893 -0.327) 13.342 4.387 ( 1.778 -2.538 -1.994) 3.685 4.606 ( 6.685 5.657 3.353) 9.377 5.654 ( -4.776 -8.038 -0.523) 9.365 5.957 ( 6.507 -1.447 -4.349) 7.960 6.463 ( 2.244 17.889 4.584) 18.603 6.717 ( -12.353 -0.223 7.313) 14.358 7.703 ( -16.314 -25.027 -10.258) 31.587 8.080 ( -13.524 -16.406 -2.616) 21.422 10.694 ( -9.265 -19.667 0.276) 21.742 10.937 ( 2.798 -13.834 -10.690) 17.706 12.016 ( -3.717 3.234 -7.927) 9.333 14.528 ( -0.078 -2.500 -5.073) 5.656 15.152 ( -11.517 -11.421 13.195) 20.910 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 4.875 8.766 3.704) 10.693 2.083 ( -0.817 15.353 -0.548) 15.385 2.154 ( 3.827 8.832 -0.693) 9.650 2.770 ( 7.655 3.591 -0.649) 8.480 3.716 ( -4.280 6.125 -1.495) 7.620 4.396 ( 1.759 -3.562 1.816) 4.368 4.761 ( 4.213 2.968 5.735) 7.710 5.513 ( -2.381 -5.853 -0.808) 6.370 5.953 ( 0.433 -6.628 -5.970) 8.931 6.430 ( -13.670 2.085 4.357) 14.499 6.704 ( -0.832 6.263 3.763) 7.354 7.110 ( -24.194 -11.867 -5.151) 27.435 7.727 ( -15.415 -7.094 -4.141) 17.467 10.312 ( -10.641 -21.198 -0.922) 23.737 10.933 ( 16.222 -16.510 -7.408) 24.302 11.966 ( -5.690 7.926 -3.417) 10.338 14.402 ( -9.090 -2.759 -5.684) 11.070 14.990 ( 1.172 -12.777 11.440) 17.190 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -0.314 5.378 2.129) 5.793 2.138 ( -4.247 10.342 -0.337) 11.185 2.393 ( 5.218 15.722 1.077) 16.600 2.885 ( 2.978 1.733 -1.526) 3.769 3.661 ( -5.060 3.697 -0.430) 6.282 4.320 ( -9.230 -2.860 7.294) 12.106 4.855 ( 4.803 -1.575 4.067) 6.488 5.461 ( 0.801 -3.432 -0.469) 3.555 5.855 ( -0.563 -5.387 -7.596) 9.329 6.277 ( -12.936 8.591 -0.016) 15.529 6.489 ( -18.090 -0.623 1.924) 18.203 6.888 ( -1.921 1.206 -0.221) 2.279 7.377 ( -20.319 1.530 -4.086) 20.783 9.962 ( -4.921 -20.804 -0.943) 21.399 11.063 ( 20.576 -19.001 -4.733) 28.405 11.964 ( -5.620 12.156 -0.848) 13.419 14.186 ( -9.115 -3.598 -5.359) 11.170 14.966 ( 6.405 -14.026 8.720) 17.714 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -2.525 3.543 1.057) 4.478 2.164 ( -5.453 11.658 0.398) 12.876 2.568 ( -1.982 10.510 1.327) 10.777 2.904 ( -0.964 2.857 -2.530) 3.936 3.658 ( -1.164 4.662 0.887) 4.887 4.145 ( -10.137 0.796 9.845) 14.153 4.912 ( 4.138 -5.136 1.702) 6.812 5.440 ( -0.106 -2.095 0.901) 2.282 5.799 ( -0.333 -0.424 -8.070) 8.088 6.148 ( -9.543 14.813 0.375) 17.625 6.411 ( -3.994 13.275 3.863) 14.391 6.802 ( -6.705 -4.973 -3.653) 9.112 7.113 ( -13.331 8.838 -3.167) 16.305 9.764 ( 4.508 -17.551 -0.485) 18.128 11.193 ( 19.219 -21.854 -2.999) 29.257 11.989 ( -7.001 14.068 0.248) 15.716 14.023 ( -3.567 -3.069 -5.650) 7.353 14.969 ( 7.392 -14.783 7.224) 18.038 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -4.394 3.481 0.926) 5.682 2.179 ( -5.810 10.430 0.457) 11.947 2.518 ( -11.657 5.153 0.021) 12.745 2.934 ( 0.820 2.913 -1.480) 3.369 3.653 ( -5.553 6.011 1.219) 8.273 4.144 ( 2.676 4.630 9.332) 10.755 4.895 ( 0.947 -8.319 0.974) 8.429 5.445 ( 2.098 0.029 0.866) 2.270 5.809 ( 3.039 3.979 -6.578) 8.267 6.294 ( 3.156 20.240 4.429) 20.958 6.478 ( -4.391 5.265 4.843) 8.394 6.668 ( -2.925 8.453 -7.947) 11.965 7.058 ( -4.214 10.957 -4.221) 12.475 9.776 ( 14.009 -12.103 -0.364) 18.517 11.256 ( 15.609 -24.252 -2.265) 28.929 11.992 ( -8.512 13.527 0.295) 15.985 13.982 ( 2.484 0.427 -5.720) 6.251 14.973 ( 7.594 -14.897 6.893) 18.086 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -6.465 2.191 1.358) 6.960 2.171 ( -6.431 8.594 0.267) 10.737 2.328 ( -15.040 4.414 -0.739) 15.692 2.930 ( -2.101 -2.179 -0.272) 3.039 3.657 ( -2.299 8.695 0.159) 8.995 4.299 ( 5.558 4.030 7.056) 9.845 4.789 ( -2.740 -10.222 0.989) 10.629 5.503 ( 4.065 -1.043 0.510) 4.227 5.922 ( 6.952 3.777 -5.979) 9.917 6.416 ( 0.683 1.026 5.789) 5.918 6.625 ( 2.431 8.661 3.539) 9.667 6.811 ( 10.708 19.758 -2.778) 22.644 7.175 ( 3.131 19.681 -8.402) 21.628 9.984 ( 20.480 -6.050 -0.741) 21.367 11.235 ( 11.071 -24.033 -2.551) 26.583 11.992 ( -5.153 11.901 -0.766) 12.992 14.072 ( 6.182 5.803 -5.125) 9.907 14.981 ( 7.761 -14.572 7.585) 18.169 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -10.931 -1.154 2.190) 11.207 2.091 ( -14.478 8.282 -0.263) 16.682 2.160 ( -6.349 3.263 -0.987) 7.206 2.818 ( -6.475 -5.670 0.386) 8.616 3.700 ( -3.597 6.742 -1.350) 7.760 4.419 ( 2.324 2.414 4.233) 5.399 4.630 ( -4.464 -9.002 0.555) 10.064 5.558 ( 4.807 -1.633 0.020) 5.077 6.022 ( 1.685 2.145 -5.410) 6.059 6.498 ( 2.669 1.515 7.397) 8.009 6.656 ( 2.493 -4.138 2.435) 5.410 7.325 ( 17.905 26.658 2.682) 32.225 7.484 ( 17.728 14.637 -12.322) 26.084 10.314 ( 22.492 -1.802 -1.126) 22.592 11.173 ( 8.533 -18.338 -3.555) 20.536 12.069 ( 2.719 9.859 -3.725) 10.884 14.255 ( 7.316 10.352 -4.110) 13.326 15.001 ( 8.041 -14.312 9.167) 18.802 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 0.000 18.396 3.369) 18.701 1.456 ( -0.000 12.280 -1.410) 12.361 1.964 ( 0.000 2.579 0.934) 2.742 2.167 ( 0.000 26.521 -0.282) 26.522 3.104 ( 0.000 21.794 0.439) 21.799 4.230 ( -0.000 8.817 -2.746) 9.235 4.480 ( 0.000 0.146 0.319) 0.350 5.266 ( 0.000 21.318 2.889) 21.513 5.855 ( -0.000 -3.473 -5.336) 6.367 6.413 ( -0.000 16.585 -4.356) 17.147 6.825 ( 0.000 7.907 12.970) 15.190 8.085 ( -0.000 -20.701 -21.549) 29.882 8.789 ( -0.000 -42.692 1.135) 42.708 11.320 ( -0.000 -14.379 -0.520) 14.389 11.565 ( -0.000 -7.817 0.033) 7.817 11.619 ( -0.000 4.915 -27.849) 28.279 14.433 ( -0.000 -2.695 -1.469) 3.069 15.849 ( 0.000 -15.270 11.119) 18.889 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 3.348 17.689 2.597) 18.190 1.642 ( 9.034 9.044 -0.695) 12.802 2.008 ( 1.855 2.621 0.445) 3.242 2.412 ( 1.299 20.356 -0.674) 20.409 3.338 ( 6.066 15.224 -0.157) 16.389 4.340 ( 2.335 9.049 -0.667) 9.370 4.490 ( -0.711 3.372 0.363) 3.465 5.572 ( 8.655 14.607 2.150) 17.114 5.807 ( 1.066 -3.643 -2.216) 4.395 6.478 ( -5.060 14.065 -3.445) 15.340 6.953 ( 0.141 3.893 13.482) 14.033 7.806 ( 2.418 -26.883 -19.641) 33.382 8.346 ( -2.008 -42.506 1.186) 42.570 11.064 ( -13.180 -17.432 0.155) 21.854 11.234 ( -13.561 -1.777 -10.694) 17.361 11.833 ( 14.670 -2.449 -11.047) 18.527 14.412 ( 2.893 -5.717 -0.884) 6.467 15.652 ( -10.946 -11.121 8.515) 17.776 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 6.578 16.504 2.787) 17.984 1.902 ( 11.132 8.728 -0.228) 14.148 2.073 ( 2.518 2.802 -0.590) 3.813 2.595 ( 1.190 13.325 -0.851) 13.405 3.593 ( 9.406 8.965 0.105) 12.994 4.391 ( -3.111 2.656 -2.591) 4.842 4.590 ( 4.491 9.145 4.006) 10.947 5.641 ( -2.519 -5.642 -0.171) 6.181 5.874 ( 2.690 3.092 -2.048) 4.582 6.591 ( 2.718 13.433 1.793) 13.822 6.916 ( -9.270 -4.102 10.881) 14.871 7.516 ( 1.256 -27.381 -16.667) 32.079 7.966 ( 0.533 -30.516 1.054) 30.539 10.652 ( -11.343 -19.358 -0.742) 22.449 10.948 ( -14.920 -3.166 -9.220) 17.822 11.969 ( 7.388 -1.329 -6.155) 9.707 14.411 ( 4.861 -7.929 -0.786) 9.334 15.345 ( -16.307 -8.176 7.142) 19.590 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 5.678 11.764 3.830) 13.613 2.142 ( 2.665 3.429 -1.391) 4.560 2.192 ( 9.671 15.050 -0.472) 17.895 2.717 ( 2.390 6.632 -0.796) 7.094 3.789 ( 4.143 4.662 0.075) 6.237 4.340 ( -1.476 -0.433 -2.287) 2.756 4.773 ( 3.797 7.799 6.936) 11.106 5.506 ( -4.711 -6.802 -1.040) 8.339 5.869 ( 0.084 -4.535 -4.386) 6.309 6.661 ( -10.785 -2.364 4.750) 12.020 6.770 ( -0.599 0.575 6.293) 6.348 7.211 ( -5.946 -16.125 -11.770) 20.831 7.772 ( 0.077 -13.439 0.405) 13.446 10.317 ( -7.598 -19.064 -0.191) 20.524 10.637 ( -8.510 -9.288 -8.444) 15.166 12.042 ( 2.511 3.305 -2.923) 5.077 14.396 ( 2.579 -8.691 -2.125) 9.311 15.018 ( -14.123 -8.581 7.206) 18.028 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 0.368 6.590 2.370) 7.013 2.233 ( 3.044 5.927 -0.307) 6.670 2.503 ( 4.995 20.519 -0.043) 21.118 2.815 ( 5.289 1.675 -0.688) 5.591 3.798 ( -5.735 2.449 -0.127) 6.237 4.341 ( 2.556 -2.640 -0.596) 3.723 4.874 ( -2.276 3.502 10.179) 11.002 5.394 ( 0.524 -5.075 -3.384) 6.122 5.787 ( -0.997 -6.364 -5.028) 8.172 6.512 ( -6.759 5.073 2.116) 8.712 6.696 ( -7.191 -4.725 1.021) 8.665 6.964 ( -7.805 -4.968 -3.342) 9.837 7.656 ( -7.925 1.277 -0.795) 8.067 9.956 ( -14.782 -14.065 -1.229) 20.441 10.514 ( 13.685 -21.583 -5.007) 26.042 12.118 ( 0.244 9.154 -1.076) 9.220 14.281 ( -6.296 -6.528 -4.629) 10.183 14.790 ( -2.429 -13.267 8.076) 15.721 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -2.009 5.139 1.235) 5.655 2.326 ( -0.566 7.882 0.547) 7.921 2.705 ( -1.290 13.230 -0.014) 13.292 2.928 ( 3.440 4.939 -1.014) 6.104 3.734 ( -3.148 3.649 1.300) 4.992 4.307 ( -4.387 -2.219 0.933) 5.004 4.857 ( -2.545 -2.148 9.045) 9.638 5.392 ( 3.249 -2.545 -2.353) 4.751 5.717 ( 1.570 -3.541 -6.568) 7.625 6.476 ( -10.421 11.339 -0.834) 15.423 6.603 ( -3.131 7.818 4.068) 9.352 6.813 ( -2.670 -4.399 -2.876) 5.894 7.502 ( -16.662 10.814 -1.524) 19.922 9.612 ( -7.399 -13.594 -0.900) 15.504 10.575 ( 21.777 -27.694 -2.909) 35.351 12.213 ( -2.452 13.359 -0.032) 13.582 14.072 ( -8.081 -4.376 -5.400) 10.659 14.707 ( 5.999 -16.912 7.188) 19.331 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -3.661 4.356 1.465) 5.875 2.366 ( -4.027 8.000 -0.002) 8.956 2.731 ( -6.127 6.149 -0.294) 8.685 2.980 ( -2.597 5.001 -0.992) 5.722 3.782 ( -0.566 7.227 2.388) 7.632 4.208 ( -3.760 0.282 1.868) 4.208 4.817 ( -0.537 -6.632 6.451) 9.267 5.415 ( 1.929 -0.536 -0.949) 2.215 5.729 ( 4.450 -0.444 -7.435) 8.676 6.465 ( -4.523 9.161 2.274) 10.467 6.613 ( -2.416 5.819 4.367) 7.666 6.816 ( -2.592 9.843 -5.126) 11.396 7.344 ( -14.712 17.204 -1.858) 22.713 9.484 ( 6.347 -9.175 -0.526) 11.169 10.653 ( 21.586 -30.673 -2.204) 37.572 12.267 ( -7.316 13.278 0.401) 15.165 13.947 ( -0.834 -0.419 -5.415) 5.494 14.686 ( 8.767 -17.880 6.375) 20.909 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -5.559 2.703 1.944) 6.480 2.347 ( -5.841 5.630 -1.095) 8.186 2.636 ( -12.731 7.924 0.028) 14.996 2.944 ( -2.939 -2.121 -0.284) 3.635 3.808 ( -4.742 7.814 1.468) 9.258 4.251 ( 5.292 2.051 1.705) 5.926 4.742 ( -1.827 -8.447 5.413) 10.198 5.443 ( 2.235 -0.401 -1.183) 2.561 5.814 ( 6.953 2.424 -6.714) 9.965 6.444 ( -1.237 -0.595 4.297) 4.511 6.699 ( -5.687 2.561 2.455) 6.703 6.869 ( 5.725 18.128 -3.975) 19.422 7.367 ( -4.894 18.663 -2.173) 19.416 9.639 ( 16.080 0.764 -0.830) 16.119 10.692 ( 19.306 -29.811 -2.667) 35.616 12.228 ( -9.614 9.372 0.040) 13.427 14.011 ( 6.170 6.617 -4.659) 10.176 14.691 ( 9.833 -17.483 6.325) 21.032 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -8.384 0.354 2.386) 8.724 2.279 ( -5.967 2.349 -1.733) 6.643 2.456 ( -17.523 7.442 0.255) 19.039 2.850 ( -3.578 -4.825 0.086) 6.008 3.818 ( -2.694 5.597 0.153) 6.213 4.366 ( 5.318 0.258 0.172) 5.327 4.637 ( -3.558 -6.050 5.525) 8.932 5.475 ( 3.093 -1.026 -1.207) 3.475 5.945 ( 6.985 3.392 -7.009) 10.460 6.487 ( 3.061 0.912 7.286) 7.955 6.596 ( -2.161 -3.999 0.446) 4.567 7.232 ( 16.926 12.070 -5.551) 21.517 7.468 ( -0.335 12.984 0.470) 12.997 9.979 ( 18.689 5.743 -1.205) 19.589 10.738 ( 17.466 -19.852 -4.466) 26.816 12.162 ( -5.387 5.105 -1.121) 7.506 14.223 ( 8.356 12.453 -3.487) 15.397 14.716 ( 10.137 -16.647 6.961) 20.696 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.000 17.415 3.017) 17.674 1.630 ( -0.000 7.069 -1.247) 7.178 2.014 ( 0.000 1.782 0.868) 1.982 2.588 ( 0.000 17.022 -1.171) 17.062 3.398 ( -0.000 8.284 -1.199) 8.370 4.421 ( 0.000 10.150 1.185) 10.219 4.562 ( 0.000 8.432 1.026) 8.494 5.702 ( 0.000 20.125 3.414) 20.413 5.738 ( -0.000 -5.100 -1.498) 5.316 6.603 ( -0.000 5.135 -5.787) 7.737 7.014 ( 0.000 0.332 14.757) 14.761 7.424 ( -0.000 -32.640 -18.412) 37.475 7.911 ( -0.000 -46.532 1.452) 46.554 11.029 ( -0.000 -15.843 0.359) 15.847 11.458 ( 0.000 -2.657 0.253) 2.669 11.503 ( -0.000 0.394 -17.065) 17.070 14.315 ( -0.000 -8.466 0.271) 8.470 15.671 ( 0.000 -8.492 5.005) 9.857 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 9.640 6.751 -0.878) 11.802 1.810 ( 2.835 15.594 3.072) 16.145 2.052 ( 2.237 1.651 0.320) 2.798 2.722 ( -0.628 11.958 -1.400) 12.056 3.505 ( 6.701 3.083 -0.793) 7.419 4.495 ( -3.068 6.834 -0.050) 7.491 4.667 ( 0.559 12.137 3.674) 12.693 5.650 ( -3.411 -3.282 -0.307) 4.744 5.908 ( -0.159 8.840 1.047) 8.903 6.621 ( 3.336 2.518 -2.989) 5.139 7.007 ( -3.584 -8.156 10.739) 13.953 7.089 ( 5.469 -32.349 -15.586) 36.322 7.537 ( 7.380 -38.831 2.447) 39.602 10.714 ( -15.286 -18.123 -0.022) 23.709 11.204 ( -15.357 4.770 -7.585) 17.780 11.731 ( 15.204 -2.017 -4.564) 16.002 14.252 ( 2.862 -9.961 0.972) 10.410 15.525 ( -10.041 -5.945 3.068) 12.065 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 6.983 7.389 2.680) 10.514 2.086 ( 12.913 11.244 -0.135) 17.123 2.120 ( 3.532 4.773 -0.189) 5.941 2.793 ( -1.404 7.591 -1.434) 7.852 3.670 ( 10.221 0.124 -0.078) 10.222 4.445 ( -7.683 3.442 -1.296) 8.518 4.831 ( 2.605 11.252 6.018) 13.023 5.536 ( -5.821 -4.777 -1.137) 7.616 5.849 ( -4.589 -5.190 -2.478) 7.358 6.703 ( 3.399 -6.471 -0.999) 7.377 6.796 ( -7.528 -13.870 5.599) 16.745 6.957 ( 10.970 -13.538 -10.518) 20.353 7.451 ( 15.149 -22.789 4.539) 27.739 10.270 ( -13.558 -18.777 -0.341) 23.162 10.920 ( -22.189 4.900 -6.503) 23.636 11.931 ( 11.069 0.340 -1.935) 11.242 14.217 ( 4.509 -11.408 1.318) 12.337 15.252 ( -16.533 -4.524 2.058) 17.264 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 3.062 6.323 2.960) 7.623 2.193 ( 5.398 3.220 -1.439) 6.448 2.486 ( 16.024 13.925 0.786) 21.244 2.824 ( -1.594 5.193 -1.161) 5.555 3.810 ( 5.647 -1.301 -0.502) 5.817 4.334 ( -5.566 -0.018 -0.722) 5.613 4.988 ( 0.708 8.747 8.547) 12.249 5.361 ( -5.673 -6.628 -4.304) 9.728 5.730 ( -1.140 -6.848 -2.524) 7.387 6.622 ( -3.116 -0.613 0.480) 3.212 6.655 ( 3.234 -10.779 -1.231) 11.321 6.948 ( 0.475 -8.890 -2.791) 9.330 7.577 ( 13.798 -8.392 2.894) 16.407 9.932 ( -3.759 -19.541 -0.474) 19.905 10.510 ( -26.024 0.356 -4.638) 26.437 12.114 ( 8.150 5.212 -0.852) 9.712 14.177 ( 3.755 -12.522 0.724) 13.093 14.915 ( -17.678 -5.085 1.871) 18.490 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 0.044 4.484 0.135) 4.486 2.341 ( 4.922 4.624 1.020) 6.830 2.833 ( 2.322 0.850 -0.611) 2.547 2.875 ( 8.008 15.834 0.735) 17.759 3.820 ( -2.246 1.094 -0.720) 2.600 4.276 ( 0.318 -4.031 -0.570) 4.083 5.010 ( -9.347 2.089 10.498) 14.211 5.276 ( 4.768 -2.896 -6.203) 8.343 5.659 ( 0.032 -3.662 -2.594) 4.488 6.635 ( 1.635 -0.462 0.741) 1.853 6.679 ( 1.839 9.326 0.137) 9.506 6.807 ( -4.086 -7.739 -2.660) 9.146 7.702 ( 3.324 1.870 1.236) 4.009 9.712 ( -6.836 -12.885 -0.538) 14.596 10.105 ( -8.008 -14.251 -2.636) 16.558 12.304 ( 5.512 9.910 -0.290) 11.344 14.089 ( -0.879 -10.430 -1.440) 10.566 14.606 ( -10.414 -8.742 2.981) 13.920 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -2.060 3.580 1.045) 4.261 2.442 ( 1.600 3.856 -0.294) 4.185 2.841 ( -1.739 3.060 -0.516) 3.557 3.079 ( -0.224 7.074 0.503) 7.095 3.848 ( 1.578 8.103 1.318) 8.360 4.216 ( -0.959 -6.631 -2.461) 7.138 4.867 ( -8.031 -3.901 7.901) 11.922 5.346 ( 4.882 0.113 -3.086) 5.777 5.652 ( 2.164 0.414 -3.107) 3.809 6.594 ( -6.581 -6.033 1.422) 9.041 6.711 ( 0.757 10.504 0.931) 10.572 6.870 ( 3.793 6.879 -2.383) 8.209 7.737 ( -8.097 13.208 -0.159) 15.493 9.449 ( -9.831 -2.021 -0.301) 10.041 9.994 ( 16.990 -28.443 -1.576) 33.169 12.461 ( -0.342 10.883 0.166) 10.890 13.962 ( -3.157 -3.111 -3.684) 5.763 14.434 ( 1.407 -13.791 4.351) 14.529 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -4.010 1.432 1.781) 4.616 2.458 ( -2.981 2.195 -1.767) 4.102 2.838 ( -2.698 4.548 -0.054) 5.288 3.031 ( -8.458 0.127 1.218) 8.546 3.950 ( -3.463 5.351 0.938) 6.442 4.169 ( 5.036 -0.754 -2.508) 5.676 4.734 ( -3.982 -7.285 6.978) 10.845 5.401 ( 2.329 0.507 -2.581) 3.513 5.720 ( 4.668 3.332 -3.307) 6.620 6.469 ( -2.775 -3.055 2.540) 4.846 6.842 ( -2.447 6.964 2.758) 7.881 6.903 ( 0.861 2.828 -4.895) 5.718 7.680 ( -12.863 12.903 0.174) 18.220 9.469 ( 8.350 8.119 -0.405) 11.654 10.047 ( 21.445 -25.736 -1.931) 33.555 12.467 ( -8.628 5.710 0.128) 10.347 13.973 ( 4.394 7.008 -3.881) 9.137 14.387 ( 7.541 -15.384 4.799) 17.792 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -5.996 -0.857 2.087) 6.407 2.384 ( -5.663 -0.045 -2.253) 6.095 2.807 ( -15.457 4.580 1.716) 16.213 2.855 ( -1.946 -3.393 0.151) 3.914 3.875 ( -2.869 -3.238 -1.496) 4.577 4.295 ( 4.627 3.410 -0.129) 5.750 4.643 ( -1.278 -5.369 6.159) 8.270 5.429 ( 1.633 0.529 -2.111) 2.721 5.839 ( 6.312 4.034 -5.083) 9.053 6.461 ( 1.707 -1.527 5.881) 6.311 6.688 ( -10.111 -2.349 -0.418) 10.389 7.035 ( 9.001 -0.532 -5.799) 10.721 7.608 ( -4.830 3.830 2.808) 6.774 9.744 ( 15.044 0.454 -0.741) 15.069 10.265 ( 21.627 0.436 -3.674) 21.941 12.322 ( -10.127 -0.223 -0.385) 10.137 14.194 ( 9.117 14.220 -3.440) 17.238 14.406 ( 9.740 -14.497 5.699) 18.371 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -0.000 4.584 -0.816) 4.656 1.956 ( 0.000 15.973 2.825) 16.221 2.043 ( 0.000 0.656 0.736) 0.986 2.819 ( -0.000 7.377 -1.639) 7.557 3.456 ( -0.000 0.348 -0.712) 0.792 4.597 ( 0.000 6.559 1.584) 6.747 4.799 ( 0.000 12.553 3.009) 12.909 5.655 ( -0.000 -2.328 -1.204) 2.621 6.034 ( 0.000 8.055 2.693) 8.494 6.528 ( -0.000 -7.634 -4.262) 8.744 6.611 ( -0.000 -35.528 -17.552) 39.627 7.022 ( 0.000 -10.622 15.795) 19.034 7.084 ( -0.000 -35.135 0.335) 35.137 10.697 ( -0.000 -17.651 -0.302) 17.654 11.469 ( 0.000 3.205 0.348) 3.224 11.469 ( -0.000 4.573 -8.670) 9.802 14.136 ( 0.000 -9.653 1.591) 9.783 15.567 ( 0.000 -4.401 0.872) 4.486 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 10.247 3.771 -0.083) 10.920 2.059 ( 1.816 1.774 0.227) 2.549 2.151 ( 3.694 13.806 2.421) 14.495 2.857 ( -0.333 2.728 -1.718) 3.241 3.517 ( 6.671 0.197 0.025) 6.674 4.599 ( -6.026 2.897 0.291) 6.692 4.931 ( 0.864 10.957 3.391) 11.503 5.592 ( -4.707 -1.827 -1.514) 5.271 5.885 ( -9.587 -13.456 -2.415) 16.697 6.370 ( 11.749 -27.102 -10.797) 31.450 6.621 ( 13.541 -2.375 0.212) 13.749 6.774 ( -1.843 -15.163 -0.338) 15.279 7.024 ( 8.807 -18.655 11.252) 23.499 10.373 ( -15.613 -15.981 -0.328) 22.344 11.304 ( -15.422 8.506 -4.375) 18.148 11.707 ( 13.728 1.132 -1.077) 13.817 14.066 ( 1.676 -9.376 2.101) 9.753 15.447 ( -9.709 -3.177 -0.356) 10.222 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 11.136 3.140 1.507) 11.668 2.128 ( 5.470 0.679 -1.212) 5.643 2.396 ( 8.852 13.760 1.855) 16.466 2.866 ( 0.557 0.652 -1.274) 1.536 3.659 ( 8.934 0.184 -0.281) 8.940 4.468 ( -9.212 -1.343 -0.525) 9.324 5.059 ( 2.358 7.476 2.134) 8.124 5.431 ( -9.462 -4.434 -1.999) 10.639 5.667 ( -1.126 -9.487 -0.629) 9.575 6.359 ( 14.251 -15.724 -5.465) 21.913 6.607 ( 1.498 -4.840 -3.431) 6.119 6.820 ( 4.055 -7.288 3.692) 9.121 7.138 ( 21.863 -13.255 5.943) 26.249 9.943 ( -16.187 -13.766 -0.202) 21.249 11.019 ( -26.407 7.281 -2.873) 27.543 11.955 ( 13.849 2.440 -0.357) 14.067 14.013 ( 2.078 -9.933 2.423) 10.433 15.187 ( -16.894 -2.544 -1.118) 17.121 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 5.324 1.565 -2.382) 6.039 2.296 ( 6.649 2.963 2.896) 7.833 2.700 ( 11.603 6.497 0.688) 13.316 2.909 ( 3.999 3.794 -0.170) 5.515 3.789 ( 5.572 1.125 -1.974) 6.017 4.300 ( -6.828 -3.700 0.782) 7.805 5.156 ( 3.704 -1.659 -7.648) 8.658 5.230 ( -10.229 1.736 7.052) 12.546 5.610 ( 1.189 -3.757 0.167) 3.945 6.485 ( 12.074 -3.588 -1.800) 12.724 6.681 ( 6.665 6.278 -2.046) 9.382 6.757 ( -0.189 -9.655 1.432) 9.762 7.433 ( 22.054 -8.755 2.856) 23.899 9.599 ( -8.008 -12.840 -0.142) 15.133 10.546 ( -34.367 3.866 -1.084) 34.601 12.218 ( 12.802 5.084 -0.313) 13.778 13.956 ( 1.909 -9.858 2.283) 10.298 14.840 ( -19.805 -2.739 -1.529) 20.051 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 2.211 1.162 -1.664) 3.001 2.418 ( 4.139 2.007 2.058) 5.039 2.839 ( 3.510 0.202 -0.257) 3.525 3.082 ( 6.902 4.018 0.255) 7.991 3.883 ( 3.821 6.830 -2.210) 8.132 4.172 ( -3.754 -6.475 1.931) 7.729 4.987 ( -8.629 -6.484 -3.192) 11.256 5.281 ( 2.855 3.850 2.419) 5.369 5.623 ( 1.967 0.863 0.059) 2.149 6.591 ( -0.431 -5.979 1.229) 6.120 6.719 ( 6.809 2.962 -0.263) 7.430 6.868 ( 3.884 6.947 -1.502) 8.100 7.726 ( 16.982 -0.383 0.952) 17.013 9.447 ( 3.696 -9.580 -0.155) 10.270 9.976 ( -32.444 -0.462 0.135) 32.447 12.465 ( 9.313 5.306 -0.186) 10.720 13.913 ( 1.949 -5.740 1.448) 6.232 14.489 ( -16.030 -3.917 -1.300) 16.553 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -1.344 -1.000 0.034) 1.676 2.480 ( 1.040 0.292 -0.013) 1.080 2.873 ( 0.324 0.540 -0.059) 0.632 3.133 ( -1.612 -1.484 0.037) 2.191 4.034 ( -4.953 -7.281 0.483) 8.819 4.072 ( 7.662 10.200 -0.514) 12.767 4.770 ( -7.375 -8.135 0.088) 10.981 5.364 ( 2.556 2.243 -0.216) 3.408 5.694 ( 3.228 4.339 0.248) 5.414 6.491 ( -3.134 -3.852 -0.332) 4.976 6.874 ( 0.283 -3.419 1.703) 3.830 6.914 ( 2.635 6.817 -1.460) 7.453 7.903 ( -0.509 -0.578 0.003) 0.770 9.545 ( -8.748 -9.552 0.010) 12.953 9.577 ( 10.930 11.931 -0.010) 16.181 12.580 ( -0.122 -0.149 -0.000) 0.192 13.959 ( 4.675 5.414 0.001) 7.153 14.251 ( -5.468 -6.267 -0.001) 8.317 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -3.594 -3.072 0.855) 4.805 2.447 ( -3.570 -2.374 -1.092) 4.424 2.856 ( -1.784 -2.970 0.199) 3.470 3.038 ( -7.644 -0.486 1.390) 7.785 3.869 ( -4.497 -7.912 -2.220) 9.368 4.263 ( 3.477 3.402 0.886) 4.945 4.627 ( -0.796 -3.447 2.438) 4.297 5.407 ( 1.247 1.016 -1.137) 1.970 5.803 ( 3.147 6.050 -1.528) 6.989 6.442 ( 0.285 -1.629 2.734) 3.196 6.740 ( -4.105 -11.062 -1.903) 11.951 6.987 ( -2.562 2.108 -1.253) 3.546 7.710 ( -10.006 -11.020 1.294) 14.941 9.468 ( 8.337 -7.324 -0.459) 11.107 10.064 ( 19.832 28.000 -1.235) 34.334 12.460 ( -8.731 -6.246 -0.140) 10.736 14.163 ( 4.001 2.608 -5.455) 7.250 14.196 ( 8.712 4.846 6.298) 11.792 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 0.000 3.052 -0.275) 3.064 2.049 ( 0.000 -0.339 0.431) 0.549 2.263 ( 0.000 13.503 1.999) 13.651 2.851 ( -0.000 -2.514 -1.648) 3.005 3.472 ( 0.000 2.038 0.667) 2.144 4.673 ( -0.000 0.054 -1.209) 1.210 5.022 ( 0.000 7.770 0.085) 7.771 5.621 ( -0.000 -1.630 -1.699) 2.354 5.813 ( -0.000 -24.614 -0.705) 24.624 5.910 ( -0.000 -22.231 -9.260) 24.082 6.486 ( 0.000 -2.936 3.218) 4.356 6.647 ( -0.000 -5.552 -3.445) 6.534 6.852 ( 0.000 -14.927 12.308) 19.347 10.375 ( -0.000 -13.835 -0.541) 13.845 11.544 ( -0.000 6.027 -3.043) 6.752 11.559 ( 0.000 4.909 0.169) 4.912 13.983 ( 0.000 -6.927 2.500) 7.365 15.500 ( -0.000 -2.365 -1.705) 2.916 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 10.242 2.021 0.323) 10.445 2.065 ( 2.436 -0.196 -0.289) 2.461 2.424 ( 4.046 11.170 1.001) 11.922 2.820 ( 1.363 -4.373 -0.659) 4.628 3.548 ( 5.514 2.359 0.538) 6.022 4.575 ( -6.998 -4.419 -4.717) 9.526 5.077 ( 0.769 2.881 -4.220) 5.167 5.529 ( -5.408 -5.941 0.538) 8.052 5.583 ( 0.008 -9.311 2.847) 9.737 5.916 ( 15.924 -10.415 -3.787) 19.401 6.458 ( 5.420 -7.918 -5.678) 11.149 6.719 ( 3.378 -2.416 5.389) 6.804 6.785 ( 8.117 -9.522 8.070) 14.889 10.117 ( -14.896 -9.292 -0.316) 17.559 11.445 ( -15.093 7.049 -1.038) 16.690 11.738 ( 12.302 1.787 -0.054) 12.432 13.932 ( -0.120 -5.638 2.879) 6.332 15.390 ( -9.610 -1.708 -2.602) 10.102 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 6.868 -0.501 -1.345) 7.016 2.155 ( 11.149 1.448 1.056) 11.292 2.610 ( 7.283 5.308 -0.550) 9.029 2.832 ( 4.449 -1.504 1.281) 4.868 3.684 ( 7.589 1.770 -0.695) 7.824 4.383 ( -7.371 -4.488 -4.326) 9.653 5.071 ( 0.553 -2.193 -8.791) 9.077 5.416 ( -6.575 0.791 4.763) 8.157 5.563 ( 1.384 -1.507 4.904) 5.314 6.178 ( 20.279 0.846 -2.490) 20.449 6.552 ( 11.726 1.620 -4.840) 12.788 6.660 ( 0.742 -11.057 5.490) 12.367 6.996 ( 17.247 -5.051 4.100) 18.433 9.756 ( -17.893 -4.788 0.030) 18.523 11.134 ( -28.124 4.721 0.569) 28.523 11.998 ( 15.784 1.472 -0.238) 15.854 13.885 ( -0.570 -4.402 3.083) 5.404 15.136 ( -17.142 -1.292 -3.283) 17.501 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 5.926 -0.527 -2.793) 6.572 2.341 ( 7.888 -0.064 2.565) 8.294 2.740 ( 7.279 -1.772 -1.038) 7.563 2.958 ( 8.128 0.659 1.155) 8.236 3.824 ( 7.382 2.197 -1.788) 7.907 4.230 ( -6.226 -1.826 -0.420) 6.502 4.985 ( -2.813 -5.751 -10.527) 12.321 5.357 ( -4.057 2.914 5.789) 7.646 5.611 ( 1.522 2.732 4.059) 5.124 6.507 ( 9.281 4.430 -2.048) 10.486 6.611 ( 5.605 -3.136 3.912) 7.520 6.789 ( 10.796 2.618 -2.065) 11.300 7.308 ( 24.524 -3.313 1.651) 24.802 9.474 ( -11.130 0.652 0.386) 11.155 10.613 ( -36.802 2.426 1.695) 36.921 12.274 ( 15.090 0.237 -0.293) 15.095 13.864 ( 0.505 -0.598 3.029) 3.129 14.786 ( -20.645 -1.039 -3.761) 21.010 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 2.578 -2.590 -2.388) 4.366 2.436 ( 3.817 -1.794 2.545) 4.926 2.839 ( 4.899 0.070 -0.264) 4.906 3.044 ( 5.160 -6.709 -1.417) 8.581 3.953 ( 4.749 -2.853 0.322) 5.549 4.150 ( -2.680 6.074 1.381) 6.781 4.805 ( -6.714 -7.203 -7.852) 12.594 5.371 ( 0.097 2.630 3.651) 4.501 5.690 ( 2.290 4.803 2.906) 6.062 6.495 ( -1.625 -2.350 -2.816) 4.012 6.847 ( 7.056 7.453 4.401) 11.167 6.872 ( 2.416 -5.705 -1.160) 6.303 7.685 ( 18.085 -3.686 -0.680) 18.469 9.465 ( 3.206 11.007 0.539) 11.477 10.027 ( -32.628 5.055 2.172) 33.088 12.468 ( 9.151 -4.806 -0.050) 10.336 13.940 ( 4.368 7.346 2.826) 9.002 14.430 ( -17.873 -0.634 -3.954) 18.316 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.000 1.422 0.359) 1.466 2.039 ( -0.000 -0.668 -0.146) 0.683 2.467 ( -0.000 4.639 -1.996) 5.050 2.769 ( 0.000 -2.339 1.668) 2.873 3.521 ( 0.000 1.154 0.608) 1.305 4.565 ( -0.000 -5.054 -12.069) 13.085 5.072 ( -0.000 0.519 -4.898) 4.925 5.427 ( 0.000 -11.181 1.630) 11.299 5.533 ( 0.000 -2.474 4.345) 5.000 5.792 ( 0.000 5.504 3.145) 6.339 6.309 ( -0.000 -6.076 -7.506) 9.657 6.639 ( 0.000 -12.353 7.152) 14.274 6.728 ( 0.000 4.031 5.721) 6.999 10.185 ( -0.000 -4.757 -0.263) 4.765 11.632 ( 0.000 2.028 -0.173) 2.035 11.640 ( 0.000 4.168 0.738) 4.233 13.906 ( 0.000 -2.798 3.225) 4.269 15.449 ( -0.000 -1.160 -3.625) 3.806 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 9.442 0.037 0.647) 9.464 2.057 ( 3.146 -0.170 -0.787) 3.247 2.500 ( 5.034 -4.485 -3.621) 7.653 2.800 ( 1.609 3.774 3.503) 5.395 3.570 ( 5.554 -1.166 -0.281) 5.682 4.432 ( -5.231 -1.470 -12.452) 13.586 5.043 ( -1.493 -1.254 -4.586) 4.983 5.448 ( 3.186 -0.150 1.475) 3.514 5.565 ( 2.630 2.548 5.562) 6.659 5.941 ( 9.240 9.504 4.725) 14.072 6.340 ( 10.581 0.607 -6.684) 12.530 6.557 ( 0.687 -9.270 4.000) 10.119 6.820 ( 5.260 0.650 5.717) 7.796 10.028 ( -14.619 0.579 0.058) 14.630 11.549 ( -15.215 2.895 2.186) 15.641 11.754 ( 12.229 -0.206 -0.314) 12.235 13.890 ( -1.073 -0.703 3.441) 3.672 15.345 ( -9.589 -0.719 -4.457) 10.599 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 6.946 -1.823 -1.629) 7.364 2.176 ( 10.686 0.140 0.774) 10.715 2.538 ( 8.798 -8.614 -2.085) 12.488 2.894 ( 2.987 3.596 2.570) 5.335 3.677 ( 8.871 -1.734 -1.075) 9.103 4.319 ( -4.998 2.882 -7.625) 9.561 4.958 ( -3.486 -4.355 -6.196) 8.337 5.450 ( -2.911 1.910 0.774) 3.567 5.665 ( 0.235 6.036 8.048) 10.062 6.347 ( 19.934 16.040 0.908) 25.602 6.507 ( 1.616 -5.941 2.028) 6.482 6.596 ( 13.197 4.545 -2.766) 14.229 6.977 ( 13.725 0.687 3.693) 14.230 9.767 ( -17.788 5.736 0.496) 18.697 11.200 ( -28.455 0.622 3.193) 28.641 11.998 ( 16.009 -1.075 -0.235) 16.047 13.891 ( -0.649 2.885 3.424) 4.524 15.093 ( -17.156 -0.381 -5.123) 17.908 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 5.217 -3.339 -2.831) 6.810 2.330 ( 7.089 -2.467 2.287) 7.847 2.642 ( 13.424 -7.058 -1.143) 15.209 2.940 ( 0.436 -3.244 0.588) 3.326 3.819 ( 8.769 -0.800 -0.745) 8.837 4.266 ( -4.165 5.261 -1.380) 6.851 4.807 ( -4.893 -6.365 -8.198) 11.474 5.425 ( -2.419 1.921 2.612) 4.045 5.749 ( -0.341 7.124 6.545) 9.680 6.484 ( 0.259 -0.219 -3.901) 3.916 6.717 ( 4.441 -6.253 -1.252) 7.771 6.824 ( 12.546 16.010 5.140) 20.979 7.355 ( 20.779 5.536 0.234) 21.505 9.630 ( -7.420 14.027 1.051) 15.903 10.661 ( -35.167 1.191 3.573) 35.368 12.228 ( 12.918 -4.010 0.092) 13.527 13.973 ( 2.822 9.039 3.237) 10.008 14.749 ( -20.465 0.112 -5.504) 21.193 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 0.000 -0.537 0.975) 1.114 2.025 ( -0.000 -0.315 -0.757) 0.820 2.369 ( -0.000 -9.345 -4.315) 10.293 2.847 ( 0.000 5.491 3.243) 6.377 3.497 ( -0.000 -2.709 -0.670) 2.791 4.437 ( -0.000 2.089 -15.777) 15.915 5.041 ( -0.000 -2.150 -1.313) 2.519 5.461 ( 0.000 13.038 3.325) 13.455 5.576 ( -0.000 3.686 -0.484) 3.718 6.045 ( 0.000 15.337 13.991) 20.760 6.214 ( -0.000 1.804 -9.416) 9.588 6.492 ( 0.000 -4.812 1.092) 4.934 6.806 ( 0.000 -0.043 6.634) 6.635 10.198 ( 0.000 6.046 0.298) 6.053 11.625 ( -0.000 -2.527 -0.458) 2.568 11.711 ( 0.000 1.826 3.607) 4.043 13.915 ( 0.000 1.421 3.677) 3.942 15.406 ( -0.000 -0.320 -5.492) 5.501 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 7.898 -2.090 0.559) 8.189 2.050 ( 3.945 -0.038 -0.983) 4.066 2.304 ( 5.711 -11.393 -2.801) 13.049 2.909 ( 0.731 3.158 2.135) 3.882 3.526 ( 5.887 -1.128 -0.587) 6.023 4.393 ( -2.717 4.410 -12.577) 13.602 4.968 ( -3.868 -5.272 -1.436) 6.695 5.536 ( -3.985 5.746 -0.948) 7.057 5.739 ( 3.844 12.695 4.746) 14.088 6.255 ( 10.267 16.785 1.399) 19.726 6.440 ( 12.577 12.394 0.713) 17.673 6.468 ( 0.870 1.499 1.182) 2.098 6.849 ( 4.083 -0.719 5.695) 7.045 10.139 ( -15.105 10.150 0.576) 18.208 11.565 ( -12.446 -3.663 3.254) 13.376 11.754 ( 9.796 1.303 1.143) 9.948 13.948 ( -0.311 4.133 3.687) 5.548 15.303 ( -9.568 -0.072 -6.409) 11.517 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 5.831 -4.196 -1.958) 7.446 2.171 ( 9.838 -1.175 0.340) 9.913 2.326 ( 11.056 -11.461 -0.256) 15.927 2.924 ( -0.641 -2.273 0.811) 2.497 3.660 ( 9.251 1.397 -0.273) 9.360 4.367 ( -2.389 5.449 -6.643) 8.918 4.809 ( -5.756 -7.804 -3.316) 10.249 5.505 ( -3.846 2.828 0.077) 4.774 5.861 ( -1.290 8.359 6.555) 10.701 6.467 ( 0.667 2.430 -4.605) 5.250 6.651 ( 2.440 2.611 -1.753) 3.981 6.783 ( 15.823 25.285 2.904) 29.969 7.103 ( 18.112 10.003 6.338) 21.640 9.975 ( -15.667 14.479 1.024) 21.357 11.201 ( -26.479 -2.705 4.351) 26.970 11.983 ( 13.353 0.515 0.945) 13.397 14.030 ( 2.055 8.605 3.539) 9.528 15.052 ( -16.907 0.057 -7.014) 18.304 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 0.000 -2.708 1.076) 2.914 2.019 ( -0.000 0.094 -0.808) 0.813 2.121 ( -0.000 -13.027 -3.303) 13.439 2.927 ( 0.000 -0.006 1.058) 1.058 3.478 ( 0.000 1.892 0.974) 2.128 4.409 ( -0.000 3.266 -12.484) 12.904 4.941 ( -0.000 -7.843 0.063) 7.843 5.632 ( -0.000 2.492 -1.934) 3.154 5.892 ( 0.000 21.761 2.995) 21.967 6.262 ( -0.000 11.509 -5.918) 12.941 6.454 ( -0.000 6.658 -6.902) 9.591 6.601 ( 0.000 25.769 19.632) 32.395 6.833 ( 0.000 0.515 3.614) 3.651 10.408 ( 0.000 14.285 0.700) 14.302 11.541 ( -0.000 -5.126 -0.536) 5.154 11.774 ( 0.000 2.131 6.378) 6.724 14.006 ( 0.000 5.385 3.787) 6.583 15.363 ( -0.000 0.145 -7.717) 7.718 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 6.061 -4.200 -0.087) 7.375 1.995 ( 4.524 -8.943 -1.921) 10.205 2.088 ( 6.470 -5.167 -0.152) 8.282 2.904 ( -0.504 -4.656 0.111) 4.685 3.559 ( 5.287 3.171 2.024) 6.489 4.400 ( 0.019 2.990 -8.947) 9.433 4.813 ( -4.551 -9.518 -0.014) 10.550 5.603 ( -4.200 2.402 -0.998) 4.940 5.991 ( -2.497 5.222 2.285) 6.223 6.470 ( 1.344 5.842 -5.799) 8.341 6.607 ( 10.266 16.393 -3.342) 19.629 6.864 ( 2.383 17.148 1.052) 17.345 7.052 ( 10.092 25.691 15.517) 31.665 10.406 ( -15.509 15.875 0.808) 22.208 11.469 ( -7.596 -6.426 1.752) 10.103 11.849 ( 5.557 6.643 5.404) 10.208 14.092 ( 1.515 8.009 3.785) 8.987 15.256 ( -9.542 0.094 -8.809) 12.986 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.000 -4.470 0.683) 4.522 1.826 ( -0.000 -15.185 -2.417) 15.376 2.012 ( -0.000 -0.588 -0.453) 0.742 2.845 ( -0.000 -8.530 -0.565) 8.549 3.550 ( 0.000 1.425 3.540) 3.816 4.390 ( -0.000 1.343 -6.578) 6.713 4.756 ( -0.000 -10.349 0.606) 10.367 5.665 ( -0.000 2.994 -1.049) 3.172 5.980 ( -0.000 -8.486 0.155) 8.487 6.531 ( -0.000 6.774 -9.137) 11.374 6.652 ( 0.000 9.686 0.934) 9.731 7.056 ( 0.000 33.220 -0.720) 33.227 7.339 ( 0.000 34.261 17.026) 38.259 10.722 ( 0.000 16.268 0.414) 16.274 11.449 ( -0.000 -3.032 -0.419) 3.061 11.918 ( 0.000 8.519 9.629) 12.857 14.169 ( 0.000 8.578 3.971) 9.453 15.308 ( -0.000 0.092 -10.705) 10.705 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.157 ( 0.000 -0.000 5.163) 5.163 0.157 ( 0.000 -0.000 5.163) 5.163 0.375 ( 0.000 -0.000 11.654) 11.654 1.835 ( 0.000 -0.000 1.021) 1.021 1.835 ( 0.000 -0.000 1.021) 1.021 4.093 ( -0.000 0.000 -2.331) 2.331 4.615 ( 0.000 -0.000 6.322) 6.322 4.615 ( 0.000 -0.000 6.322) 6.322 5.511 ( -0.000 0.000 -7.954) 7.954 5.511 ( -0.000 0.000 -7.954) 7.954 6.473 ( 0.000 -0.000 2.998) 2.998 6.836 ( -0.000 0.000 -2.707) 2.707 10.188 ( 0.000 -0.000 1.744) 1.744 10.188 ( 0.000 -0.000 1.744) 1.744 11.917 ( -0.000 0.000 -0.475) 0.475 11.917 ( -0.000 0.000 -0.475) 0.475 14.371 ( -0.000 0.000 -0.426) 0.426 16.923 ( -0.000 0.000 -0.447) 0.447 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 11.165 6.446 7.983) 15.164 0.650 ( 24.300 14.029 0.164) 28.059 0.811 ( 33.355 19.258 1.043) 38.529 1.860 ( 1.806 1.043 1.045) 2.333 2.080 ( 18.611 10.745 1.676) 21.556 4.068 ( 1.514 0.874 -3.784) 4.169 4.706 ( 1.302 0.752 1.653) 2.235 4.828 ( 12.485 7.208 9.494) 17.261 5.484 ( 5.068 2.926 -11.113) 12.560 5.674 ( 14.275 8.241 -8.542) 18.565 6.742 ( -4.420 -2.552 -1.697) 5.379 7.946 ( 62.266 35.949 -49.123) 87.077 10.050 ( -13.594 -7.849 1.788) 15.799 10.613 ( 36.511 21.080 -24.844) 48.935 11.856 ( -4.760 -2.748 -0.466) 5.517 11.868 ( -3.224 -1.861 -1.370) 3.967 14.388 ( 1.800 1.039 -0.872) 2.254 16.593 ( -25.036 -14.454 11.852) 31.244 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 14.647 8.456 4.844) 17.592 1.123 ( 17.399 10.045 -1.089) 20.120 1.528 ( 29.288 16.909 0.342) 33.820 1.915 ( 2.582 1.491 0.978) 3.138 2.584 ( 23.829 13.758 1.608) 27.562 4.138 ( 5.829 3.365 -4.367) 8.023 4.684 ( -2.604 -1.503 1.372) 3.305 5.212 ( 17.868 10.316 10.737) 23.259 5.653 ( 12.496 7.214 -11.961) 18.742 5.936 ( 7.722 4.458 -10.291) 13.616 6.662 ( -2.063 -1.191 8.344) 8.677 8.488 ( 7.967 4.600 -29.796) 31.184 9.596 ( -26.664 -15.394 1.301) 30.816 11.173 ( 13.655 7.884 -28.132) 32.249 11.713 ( -7.373 -4.257 -0.226) 8.517 11.840 ( 4.053 2.340 -15.320) 16.019 14.449 ( 4.007 2.313 -2.796) 5.406 16.041 ( -26.504 -15.302 18.605) 35.815 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 15.048 8.688 3.670) 17.760 1.433 ( 10.771 6.219 -1.232) 12.498 1.974 ( 2.287 1.320 0.837) 2.770 2.114 ( 22.357 12.908 -0.099) 25.816 3.100 ( 20.421 11.790 0.382) 23.583 4.299 ( 9.236 5.332 -3.272) 11.155 4.620 ( -2.828 -1.632 0.264) 3.276 5.666 ( 18.789 10.848 9.034) 23.502 5.916 ( -5.046 -2.914 -7.181) 9.247 5.924 ( 13.324 7.693 -9.965) 18.330 6.670 ( -2.939 -1.697 12.114) 12.581 8.391 ( -7.227 -4.172 -18.840) 20.606 8.878 ( -36.610 -21.137 0.593) 42.277 11.162 ( -4.870 -2.812 -7.318) 9.229 11.548 ( -6.531 -3.771 0.111) 7.542 11.840 ( -0.567 -0.327 -25.413) 25.421 14.524 ( 2.846 1.643 -5.268) 6.209 15.565 ( -20.101 -11.605 18.522) 29.694 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 14.614 8.438 3.637) 17.263 1.621 ( 6.676 3.854 -1.074) 7.783 2.020 ( 1.448 0.836 0.752) 1.833 2.531 ( 14.812 8.552 -0.311) 17.106 3.456 ( 10.453 6.035 -1.978) 12.231 4.486 ( 5.137 2.966 -0.983) 6.013 4.606 ( 3.670 2.119 1.651) 4.548 5.744 ( -7.890 -4.555 -1.585) 9.248 6.063 ( 9.534 5.504 9.864) 14.781 6.159 ( 13.242 7.645 -10.827) 18.736 6.530 ( -12.003 -6.930 6.799) 15.438 7.987 ( -41.506 -23.964 0.142) 47.928 8.093 ( -14.257 -8.231 -12.127) 20.447 10.988 ( -9.673 -5.585 -0.394) 11.177 11.447 ( -2.089 -1.206 0.406) 2.446 11.681 ( -4.635 -2.676 -21.093) 21.762 14.499 ( -3.966 -2.290 -6.076) 7.609 15.291 ( -8.730 -5.040 15.906) 18.832 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 4.478 2.585 -0.982) 5.263 1.898 ( 13.443 7.761 4.031) 16.038 2.043 ( 0.386 0.223 0.738) 0.863 2.784 ( 7.757 4.479 -0.585) 8.976 3.560 ( 0.772 0.446 -3.822) 3.924 4.484 ( -5.481 -3.165 7.394) 9.733 4.779 ( 8.453 4.881 1.090) 9.822 5.591 ( -4.694 -2.710 0.332) 5.431 6.088 ( -5.757 -3.324 2.066) 6.961 6.234 ( -13.000 -7.505 -1.232) 15.061 6.479 ( 13.180 7.609 -3.779) 15.681 7.071 ( -37.518 -21.661 0.662) 43.327 7.685 ( -18.770 -10.837 -7.192) 22.836 10.704 ( -14.843 -8.569 -0.248) 17.141 11.460 ( 2.774 1.602 0.569) 3.253 11.582 ( 1.178 0.680 -12.908) 12.980 14.337 ( -7.572 -4.372 -5.223) 10.185 15.235 ( -1.521 -0.878 11.764) 11.895 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 3.047 1.759 -0.988) 3.655 2.042 ( -0.634 -0.366 0.753) 1.050 2.186 ( 10.324 5.961 4.385) 12.703 2.876 ( 0.879 0.507 -1.936) 2.185 3.545 ( 0.271 0.157 -2.732) 2.749 4.283 ( -14.052 -8.113 14.448) 21.726 4.948 ( 5.978 3.451 -0.165) 6.905 5.528 ( -2.204 -1.272 1.746) 3.086 5.850 ( -14.933 -8.621 -2.556) 17.431 6.027 ( -2.557 -1.476 -8.032) 8.558 6.320 ( -21.812 -12.593 6.399) 25.987 6.775 ( 8.268 4.774 -4.726) 10.653 7.228 ( -19.299 -11.142 -4.564) 22.747 10.379 ( -12.448 -7.187 -0.656) 14.389 11.548 ( 4.148 2.395 0.569) 4.823 11.624 ( 4.428 2.556 -6.576) 8.330 14.163 ( -5.818 -3.359 -5.322) 8.571 15.254 ( -0.261 -0.151 8.943) 8.948 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 1.616 0.933 -1.065) 2.148 2.024 ( -1.006 -0.581 0.812) 1.418 2.354 ( 2.294 1.324 4.180) 4.949 2.857 ( 0.007 0.004 -3.059) 3.059 3.553 ( -0.483 -0.279 -1.868) 1.949 4.061 ( -7.099 -4.099 17.751) 19.553 5.041 ( 2.522 1.456 -1.484) 3.268 5.490 ( -1.354 -0.782 3.891) 4.194 5.527 ( -8.259 -4.769 -5.236) 10.880 6.039 ( -6.851 -3.956 9.757) 12.561 6.069 ( 7.844 4.529 -10.680) 14.004 6.821 ( -14.856 -8.577 -3.999) 17.615 6.903 ( 3.913 2.259 -5.008) 6.745 10.184 ( -4.088 -2.360 -0.236) 4.727 11.621 ( 1.665 0.961 0.476) 1.981 11.708 ( 4.018 2.320 -3.421) 5.765 14.050 ( -2.599 -1.501 -5.776) 6.509 15.271 ( -0.593 -0.342 7.469) 7.501 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -0.400 -0.231 -1.049) 1.146 2.010 ( -0.331 -0.191 0.763) 0.853 2.300 ( -7.163 -4.136 2.698) 8.700 2.897 ( 3.323 1.919 -1.800) 4.238 3.491 ( -2.753 -1.589 -0.407) 3.205 4.117 ( 5.085 2.936 15.907) 16.955 5.049 ( -1.735 -1.002 -1.473) 2.487 5.518 ( 2.791 1.612 4.369) 5.430 5.545 ( 11.611 6.704 -5.354) 14.437 6.026 ( 2.275 1.314 9.820) 10.165 6.268 ( 10.815 6.244 -7.102) 14.366 6.576 ( -3.109 -1.795 -7.808) 8.594 6.918 ( -0.931 -0.538 -4.673) 4.795 10.202 ( 5.538 3.197 -0.034) 6.395 11.616 ( -2.228 -1.286 0.403) 2.604 11.775 ( 2.776 1.603 -2.651) 4.159 14.011 ( 0.819 0.473 -5.892) 5.967 15.278 ( -0.842 -0.486 7.276) 7.341 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -2.440 -1.409 -0.823) 2.935 2.013 ( 0.170 0.098 0.527) 0.563 2.094 ( -11.131 -6.427 2.228) 13.045 2.934 ( -0.713 -0.412 -0.349) 0.894 3.491 ( 2.888 1.667 -1.686) 3.737 4.290 ( 4.955 2.861 11.990) 13.285 4.945 ( -6.914 -3.992 -0.698) 8.014 5.609 ( 2.965 1.712 2.898) 4.486 5.920 ( 15.729 9.081 -2.881) 18.389 6.209 ( 15.178 8.763 5.041) 18.236 6.392 ( 3.072 1.773 5.943) 6.921 6.784 ( 22.845 13.190 -18.179) 32.037 6.862 ( -1.627 -0.939 -2.380) 3.032 10.413 ( 12.491 7.212 -0.310) 14.427 11.536 ( -4.435 -2.561 0.398) 5.137 11.827 ( 3.221 1.860 -4.383) 5.748 14.050 ( 4.296 2.480 -5.298) 7.258 15.285 ( -0.622 -0.359 8.378) 8.409 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.000 12.964 7.516) 14.985 0.650 ( 0.000 28.583 0.187) 28.584 0.845 ( 0.000 38.310 1.594) 38.343 1.861 ( 0.000 1.897 1.033) 2.160 2.091 ( 0.000 22.219 1.608) 22.277 4.049 ( -0.000 0.262 -3.554) 3.564 4.663 ( 0.000 5.849 5.267) 7.871 4.666 ( 0.000 -7.580 4.391) 8.760 5.538 ( -0.000 15.029 -10.678) 18.436 5.683 ( -0.000 16.258 -6.765) 17.609 6.742 ( -0.000 -3.526 -1.991) 4.049 7.790 ( -0.000 67.161 -41.498) 78.947 10.015 ( 0.000 -17.640 1.653) 17.717 10.610 ( -0.000 40.604 -18.949) 44.808 11.832 ( -0.000 -8.012 -0.259) 8.017 11.867 ( -0.000 -4.961 -0.405) 4.977 14.385 ( -0.000 1.878 -0.803) 2.042 16.652 ( 0.000 -23.007 8.454) 24.511 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 8.234 13.805 4.717) 16.752 1.050 ( 12.009 21.405 -0.268) 24.545 1.347 ( 15.706 30.652 0.625) 34.448 1.904 ( 1.792 2.639 0.951) 3.329 2.451 ( 12.954 23.691 1.856) 27.065 4.079 ( 3.358 3.362 -4.377) 6.460 4.619 ( 2.081 -7.863 1.886) 8.349 5.003 ( 22.953 8.948 6.917) 25.588 5.635 ( -1.443 16.926 -9.546) 19.485 5.876 ( 4.257 13.518 -8.631) 16.594 6.708 ( -0.539 0.186 4.948) 4.981 8.267 ( 12.726 15.407 -33.872) 39.327 9.726 ( -10.963 -24.792 1.416) 27.145 11.013 ( 8.632 27.746 -29.293) 41.261 11.694 ( -4.149 -12.013 -0.360) 12.714 11.828 ( 1.684 -0.749 -3.735) 4.165 14.419 ( 1.813 2.701 -1.669) 3.657 16.298 ( -17.006 -21.301 13.146) 30.261 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 11.827 12.644 3.130) 17.594 1.402 ( 7.623 16.467 -0.529) 18.153 1.891 ( 17.032 16.395 0.058) 23.641 1.978 ( 3.970 6.475 0.778) 7.635 2.935 ( 16.782 19.798 1.184) 25.980 4.202 ( 7.152 5.960 -3.555) 9.966 4.581 ( 1.381 -6.775 0.098) 6.915 5.533 ( 22.242 12.219 9.108) 26.963 5.788 ( 4.424 14.809 -9.603) 18.196 5.930 ( -2.642 1.325 -8.594) 9.088 6.770 ( -1.117 5.047 12.262) 13.307 8.315 ( 1.301 -5.962 -23.743) 24.514 9.174 ( -23.979 -27.286 0.757) 36.333 11.121 ( 0.126 -0.953 -15.376) 15.406 11.470 ( -4.903 -16.577 -2.228) 17.430 11.885 ( 0.653 8.450 -13.497) 15.937 14.482 ( 3.005 2.655 -3.346) 5.223 15.829 ( -20.109 -16.763 15.126) 30.235 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 12.856 11.861 2.741) 17.705 1.634 ( 3.101 13.429 -0.329) 13.787 2.018 ( 1.457 2.680 0.317) 3.067 2.362 ( 15.762 11.886 -0.018) 19.741 3.358 ( 12.048 14.007 -0.425) 18.480 4.386 ( 7.938 3.959 -2.257) 9.153 4.559 ( 3.077 -2.002 0.309) 3.684 5.795 ( -5.087 -6.044 -2.860) 8.401 5.954 ( 12.981 0.985 -1.363) 13.089 6.054 ( 8.691 22.249 0.713) 23.897 6.740 ( -11.443 0.486 11.208) 16.025 8.097 ( -7.847 -15.444 -16.421) 23.869 8.431 ( -32.388 -22.063 -0.774) 39.196 11.009 ( -3.518 -10.191 -2.552) 11.079 11.227 ( 1.794 -19.956 -7.604) 21.431 11.865 ( -7.892 9.245 -12.127) 17.170 14.518 ( -0.565 0.973 -5.214) 5.334 15.438 ( -13.477 -12.575 15.114) 23.837 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 7.367 12.754 0.390) 14.734 1.787 ( 5.182 10.169 2.436) 11.671 2.060 ( 0.343 2.990 0.187) 3.015 2.675 ( 10.843 6.085 -0.187) 12.435 3.571 ( 1.278 7.308 -2.682) 7.889 4.477 ( 3.953 -3.134 1.318) 5.214 4.693 ( 7.522 5.028 2.516) 9.391 5.634 ( -5.276 -6.092 0.052) 8.059 6.063 ( 3.933 -5.650 -3.641) 7.788 6.372 ( 0.073 10.717 5.195) 11.910 6.517 ( -11.365 4.707 2.823) 12.621 7.478 ( -33.571 -24.755 -2.775) 41.803 7.868 ( -17.739 -8.317 -9.081) 21.594 10.738 ( -8.876 -20.085 0.092) 21.960 11.181 ( 13.323 -12.920 -7.545) 20.034 11.772 ( -9.742 11.009 -6.800) 16.198 14.423 ( -7.711 -1.677 -5.800) 9.794 15.248 ( -2.229 -9.312 13.112) 16.236 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -1.681 11.126 -0.433) 11.261 2.029 ( 3.369 2.613 1.893) 4.665 2.143 ( 6.196 10.284 1.924) 12.159 2.844 ( 4.360 2.301 -0.959) 5.022 3.578 ( -3.336 3.677 -2.830) 5.714 4.444 ( -6.421 -5.883 9.282) 12.728 4.860 ( 6.784 2.178 2.444) 7.533 5.533 ( -0.935 -3.639 0.589) 3.804 5.958 ( -5.031 -7.851 -4.900) 10.534 6.172 ( -16.025 1.901 0.674) 16.152 6.598 ( -13.020 -2.692 1.626) 13.395 6.785 ( -12.627 0.132 -1.779) 12.752 7.446 ( -19.777 -8.358 -7.215) 22.651 10.386 ( -7.200 -21.307 -0.696) 22.501 11.315 ( 16.120 -9.047 -4.682) 19.069 11.730 ( -6.485 11.529 -2.669) 13.494 14.233 ( -8.516 -3.097 -5.547) 10.625 15.217 ( 2.921 -8.269 10.043) 13.333 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -3.061 10.078 -0.568) 10.548 2.046 ( -1.197 0.843 0.909) 1.723 2.371 ( 4.395 9.684 3.427) 11.173 2.866 ( -1.459 0.466 -2.754) 3.152 3.573 ( -0.695 3.785 -1.241) 4.043 4.239 ( -12.183 -5.906 15.182) 20.342 4.973 ( 4.913 -0.834 0.483) 5.007 5.499 ( -0.872 -3.033 2.104) 3.793 5.751 ( -14.075 1.071 -5.267) 15.066 5.980 ( -3.695 2.553 -6.578) 7.965 6.251 ( -12.628 1.853 6.934) 14.526 6.855 ( 2.072 3.668 -3.783) 5.662 7.021 ( -18.132 -4.634 -5.907) 19.625 10.118 ( -1.018 -17.373 -0.396) 17.407 11.483 ( 14.633 -8.604 -3.196) 17.273 11.742 ( -5.055 10.592 -0.450) 11.745 14.067 ( -4.829 -3.095 -5.705) 8.090 15.224 ( 3.807 -8.427 7.941) 12.189 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -4.493 7.876 -0.846) 9.106 2.037 ( -1.563 2.080 1.172) 2.854 2.433 ( -6.734 3.835 2.928) 8.284 2.864 ( 1.948 2.716 -2.896) 4.423 3.568 ( -4.641 2.894 -0.249) 5.475 4.138 ( -0.399 -0.050 16.164) 16.169 5.011 ( 2.144 -3.478 -0.537) 4.120 5.460 ( -0.112 -0.981 0.748) 1.239 5.627 ( -4.034 11.500 -2.620) 12.466 6.025 ( 4.227 4.427 0.107) 6.122 6.247 ( -0.042 14.297 0.055) 14.297 6.650 ( -11.344 -5.735 -5.060) 13.681 6.928 ( -1.189 3.573 -4.974) 6.238 10.030 ( 7.947 -12.100 -0.133) 14.477 11.600 ( 11.191 -11.262 -2.847) 16.130 11.747 ( -6.412 10.456 0.422) 12.273 13.981 ( -0.339 -1.595 -5.713) 5.941 15.229 ( 3.869 -8.592 7.057) 11.773 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -5.550 5.004 -0.510) 7.490 2.040 ( -2.071 3.516 1.016) 4.205 2.282 ( -12.757 0.406 1.732) 12.880 2.927 ( 1.672 1.714 -1.416) 2.781 3.521 ( -3.155 4.625 0.202) 5.602 4.268 ( 5.768 2.452 13.083) 14.507 4.963 ( -2.099 -6.789 -0.238) 7.110 5.523 ( 6.269 -0.590 1.742) 6.533 5.782 ( 8.744 11.295 -4.336) 14.927 6.221 ( 5.986 17.383 6.298) 19.433 6.409 ( -0.270 4.455 4.102) 6.062 6.565 ( 9.542 10.926 -13.501) 19.817 6.902 ( -2.813 3.464 -5.217) 6.865 10.143 ( 16.504 -7.826 -0.376) 18.269 11.590 ( 1.356 -10.789 -1.934) 11.044 11.767 ( -1.007 7.834 -1.499) 8.040 13.990 ( 3.440 1.529 -5.105) 6.343 15.236 ( 4.155 -8.466 7.397) 11.986 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.000 17.347 4.496) 17.920 1.133 ( 0.000 20.616 -1.122) 20.646 1.570 ( 0.000 34.257 0.361) 34.258 1.914 ( 0.000 2.718 0.964) 2.884 2.611 ( 0.000 27.505 1.605) 27.552 4.075 ( -0.000 5.277 -4.234) 6.765 4.541 ( 0.000 -5.756 1.984) 6.088 4.909 ( 0.000 15.524 4.976) 16.302 5.771 ( -0.000 10.922 -7.992) 13.534 6.017 ( -0.000 20.900 -6.551) 21.902 6.731 ( 0.000 3.368 6.665) 7.468 8.186 ( -0.000 6.103 -28.584) 29.228 9.534 ( -0.000 -32.214 1.660) 32.256 11.175 ( -0.000 28.122 -29.645) 40.862 11.622 ( -0.000 -12.615 0.600) 12.630 11.730 ( -0.000 -8.345 -0.296) 8.350 14.423 ( -0.000 2.175 -1.560) 2.677 16.261 ( 0.000 -22.289 10.271) 24.542 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 4.540 17.183 2.820) 17.994 1.408 ( 9.612 15.096 -0.635) 17.907 1.907 ( 3.135 19.452 -0.025) 19.703 1.987 ( 4.444 11.030 0.569) 11.905 2.945 ( 8.011 23.949 1.127) 25.278 4.162 ( 3.979 7.811 -2.904) 9.234 4.505 ( 0.525 -4.093 0.711) 4.188 5.278 ( 19.410 14.658 5.233) 24.880 5.833 ( 1.508 3.424 -5.813) 6.913 6.112 ( -8.052 19.118 -7.036) 21.905 6.858 ( 2.875 8.432 11.796) 14.783 8.117 ( 2.906 -10.173 -23.371) 25.654 9.131 ( -8.105 -36.342 1.419) 37.262 11.172 ( -10.364 5.611 -18.444) 21.888 11.412 ( -6.518 -16.194 0.187) 17.458 11.803 ( 10.704 1.184 -7.446) 13.093 14.450 ( 1.980 0.897 -1.852) 2.856 15.976 ( -12.182 -18.622 9.835) 24.329 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 8.571 16.032 2.053) 18.294 1.694 ( 7.451 12.916 -0.057) 14.911 2.013 ( 2.254 3.230 -0.063) 3.939 2.290 ( 8.273 17.413 -0.209) 19.280 3.322 ( 10.870 17.967 0.567) 21.007 4.316 ( 4.875 6.144 -1.863) 8.061 4.492 ( 2.276 -0.511 0.198) 2.341 5.702 ( 12.465 2.096 1.659) 12.748 5.825 ( 0.480 -1.248 -2.707) 3.019 6.214 ( 0.270 23.785 -2.327) 23.900 6.954 ( -5.913 3.723 13.396) 15.108 7.932 ( 0.227 -18.937 -19.680) 27.312 8.587 ( -15.756 -32.041 0.635) 35.711 10.944 ( -6.782 -8.818 -7.976) 13.688 11.110 ( -9.215 -16.940 -3.406) 19.582 11.933 ( 3.794 3.357 -8.445) 9.848 14.488 ( 2.768 -0.709 -2.490) 3.790 15.598 ( -15.723 -14.683 9.904) 23.683 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 10.208 14.812 2.517) 18.164 1.907 ( 2.395 14.123 -0.110) 14.325 2.075 ( 1.592 3.081 -0.553) 3.512 2.565 ( 9.052 8.880 -0.193) 12.682 3.618 ( 5.112 12.113 -0.539) 13.159 4.369 ( 2.895 -2.687 -1.783) 4.334 4.635 ( 7.371 7.449 2.668) 10.814 5.651 ( -4.556 -7.608 -0.189) 8.870 5.916 ( 5.358 -1.913 -4.035) 6.975 6.507 ( 4.200 19.127 4.356) 20.061 6.799 ( -15.630 -1.836 9.779) 18.528 7.591 ( -11.256 -24.199 -12.902) 29.644 8.055 ( -16.571 -15.876 -2.548) 23.090 10.698 ( -9.726 -20.030 0.450) 22.271 10.840 ( 3.996 -13.299 -9.065) 16.584 11.952 ( -2.926 5.318 -5.273) 8.041 14.484 ( -1.739 -1.819 -4.093) 4.805 15.266 ( -9.961 -13.167 10.415) 19.521 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 4.150 8.606 3.147) 10.059 2.078 ( -0.595 15.469 -0.465) 15.488 2.148 ( 4.749 8.628 -0.668) 9.871 2.765 ( 7.445 3.411 -0.315) 8.196 3.701 ( -4.790 6.956 -1.545) 8.586 4.410 ( 4.916 -4.206 1.072) 6.558 4.819 ( 4.174 5.073 5.834) 8.786 5.507 ( -2.554 -6.852 -0.370) 7.322 5.901 ( -0.188 -7.061 -4.905) 8.599 6.476 ( -15.595 0.770 5.278) 16.482 6.740 ( -2.459 7.058 3.823) 8.395 7.058 ( -20.670 -12.639 -5.677) 24.885 7.679 ( -16.691 -4.967 -5.800) 18.355 10.302 ( -10.687 -21.487 -1.186) 24.027 10.872 ( 17.200 -16.042 -5.082) 24.063 11.938 ( -4.935 9.154 -2.349) 10.662 14.348 ( -9.250 -2.601 -5.348) 10.996 15.094 ( 0.777 -13.792 9.858) 16.970 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -0.655 4.910 1.767) 5.259 2.134 ( -4.372 11.196 -0.440) 12.027 2.403 ( 6.178 15.040 0.967) 16.288 2.871 ( 2.164 1.598 -1.379) 3.023 3.657 ( -4.685 4.910 -0.265) 6.792 4.385 ( -4.872 -5.127 5.962) 9.250 4.906 ( 1.801 0.047 6.552) 6.795 5.455 ( 2.253 -4.235 -0.905) 4.882 5.783 ( -1.955 -5.541 -7.331) 9.395 6.279 ( -15.837 8.009 0.522) 17.755 6.512 ( -14.647 -0.801 2.795) 14.933 6.883 ( -2.821 1.399 -0.835) 3.258 7.329 ( -20.650 3.344 -5.925) 21.743 9.954 ( -4.617 -20.874 -0.813) 21.393 11.024 ( 21.055 -18.606 -3.239) 28.284 11.957 ( -5.109 12.662 -0.543) 13.665 14.133 ( -9.141 -3.576 -5.476) 11.239 15.047 ( 5.784 -14.639 7.991) 17.652 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -2.828 3.711 1.176) 4.812 2.166 ( -5.389 11.924 -0.011) 13.085 2.582 ( -1.591 9.415 1.675) 9.695 2.878 ( -1.277 3.294 -2.844) 4.536 3.667 ( -1.556 5.685 0.980) 5.975 4.241 ( -7.204 -2.690 9.746) 12.415 4.939 ( 1.890 -3.691 4.067) 5.809 5.446 ( 0.628 -2.827 0.383) 2.921 5.717 ( 0.557 -0.647 -8.962) 9.003 6.152 ( -8.554 16.535 0.552) 18.625 6.454 ( -4.714 13.339 4.886) 14.968 6.761 ( -8.261 -5.965 -4.770) 11.250 7.078 ( -13.244 10.011 -4.018) 17.081 9.760 ( 4.690 -17.624 -0.373) 18.241 11.166 ( 19.366 -21.573 -2.562) 29.103 11.992 ( -6.808 14.197 0.298) 15.748 13.969 ( -3.639 -3.034 -5.408) 7.190 15.037 ( 7.181 -15.101 6.695) 18.012 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -4.657 4.088 1.349) 6.342 2.180 ( -5.656 10.133 -0.147) 11.605 2.523 ( -11.813 4.147 1.051) 12.564 2.917 ( 1.273 3.613 -2.088) 4.363 3.666 ( -5.816 6.556 1.291) 8.858 4.235 ( 3.661 0.831 9.447) 10.166 4.914 ( -0.372 -6.885 3.128) 7.571 5.451 ( 2.459 -0.641 0.340) 2.564 5.741 ( 4.264 3.281 -7.528) 9.253 6.332 ( 4.846 21.936 3.265) 22.701 6.517 ( -5.766 2.970 2.343) 6.896 6.599 ( -3.310 11.485 -5.155) 13.016 7.016 ( -5.401 11.103 -4.331) 13.085 9.772 ( 13.984 -12.293 -0.476) 18.625 11.230 ( 15.462 -24.148 -3.012) 28.832 11.995 ( -8.735 13.443 0.293) 16.034 13.931 ( 2.578 0.593 -4.807) 5.487 15.037 ( 7.859 -15.007 6.398) 18.108 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.000 18.123 2.916) 18.357 1.442 ( -0.000 12.286 -1.364) 12.361 1.973 ( 0.000 2.560 0.846) 2.696 2.162 ( 0.000 26.152 -0.754) 26.163 3.107 ( 0.000 20.986 0.248) 20.987 4.210 ( -0.000 10.390 -1.425) 10.487 4.487 ( 0.000 -0.306 1.286) 1.322 5.305 ( 0.000 20.749 5.047) 21.354 5.809 ( -0.000 -1.534 -4.009) 4.292 6.358 ( -0.000 16.992 -7.143) 18.432 6.952 ( 0.000 9.615 13.310) 16.419 7.882 ( -0.000 -18.719 -20.195) 27.536 8.804 ( -0.000 -42.805 1.788) 42.842 11.281 ( -0.000 -4.423 -10.370) 11.274 11.423 ( -0.000 -1.713 -9.923) 10.069 11.564 ( -0.000 -7.663 -0.115) 7.664 14.422 ( -0.000 -2.122 -0.930) 2.317 15.931 ( 0.000 -16.533 6.054) 17.607 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 3.110 17.624 1.745) 17.981 1.638 ( 9.475 9.218 -0.285) 13.222 2.012 ( 1.443 2.552 0.417) 2.962 2.404 ( 1.437 20.038 -1.068) 20.117 3.338 ( 6.420 14.640 0.040) 15.986 4.335 ( 1.723 9.761 -0.339) 9.917 4.497 ( -0.529 4.129 1.153) 4.319 5.602 ( 7.290 13.046 4.018) 15.475 5.788 ( 1.740 -1.656 -1.611) 2.893 6.433 ( -3.288 15.080 -5.786) 16.483 7.087 ( -0.236 3.990 13.765) 14.333 7.622 ( 2.346 -25.654 -17.848) 31.340 8.359 ( -2.199 -42.481 1.640) 42.569 11.064 ( -16.286 -15.353 -0.437) 22.386 11.131 ( -10.417 -1.641 -9.644) 14.290 11.756 ( 14.736 -1.581 -5.384) 15.768 14.407 ( 2.569 -4.872 -0.211) 5.512 15.713 ( -10.061 -12.691 4.271) 16.749 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 6.999 17.032 1.808) 18.502 1.902 ( 11.055 8.579 0.198) 13.995 2.069 ( 2.059 2.598 -0.372) 3.336 2.586 ( 1.437 13.027 -1.020) 13.146 3.596 ( 9.589 8.811 0.342) 13.027 4.368 ( -3.681 2.633 -2.004) 4.949 4.625 ( 4.978 10.812 3.228) 12.333 5.642 ( -2.764 -5.808 0.279) 6.439 5.858 ( 0.874 2.637 -1.214) 3.032 6.601 ( 5.687 14.628 0.221) 15.696 7.028 ( -10.899 -5.888 12.206) 17.391 7.356 ( 2.734 -26.360 -16.389) 31.160 7.978 ( -0.237 -29.685 1.408) 29.720 10.649 ( -11.348 -18.793 0.013) 21.953 10.866 ( -15.024 -2.938 -7.619) 17.100 11.923 ( 7.717 0.204 -3.584) 8.511 14.407 ( 3.860 -6.849 -0.006) 7.862 15.398 ( -14.770 -10.030 3.811) 18.256 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 5.994 12.090 2.912) 13.805 2.129 ( 2.456 3.004 -1.116) 4.038 2.188 ( 9.505 15.355 -0.294) 18.062 2.709 ( 2.692 6.346 -0.670) 6.926 3.790 ( 3.731 4.826 0.044) 6.101 4.321 ( -0.875 -0.388 -1.565) 1.835 4.831 ( 4.912 9.527 4.943) 11.804 5.497 ( -5.205 -7.937 -0.772) 9.523 5.835 ( -0.777 -4.280 -2.767) 5.156 6.704 ( -9.476 -3.859 4.042) 11.001 6.831 ( -2.996 -1.587 6.484) 7.317 7.099 ( -2.962 -14.241 -11.345) 18.447 7.774 ( -1.804 -11.573 0.152) 11.714 10.317 ( -8.070 -19.267 0.158) 20.890 10.566 ( -7.803 -8.490 -5.930) 12.966 12.019 ( 2.832 4.289 -1.789) 5.441 14.379 ( 0.296 -7.303 -1.369) 7.436 15.076 ( -11.723 -10.718 4.612) 16.540 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -0.178 5.754 1.646) 5.987 2.231 ( 3.641 6.470 -0.202) 7.427 2.501 ( 4.961 20.845 -0.260) 21.428 2.810 ( 5.241 1.621 -0.379) 5.499 3.798 ( -5.469 2.808 0.137) 6.150 4.335 ( 3.521 -3.368 -0.620) 4.912 4.969 ( -1.239 5.304 9.169) 10.665 5.359 ( 0.384 -7.008 -3.759) 7.962 5.746 ( -2.212 -5.783 -3.455) 7.091 6.536 ( -7.335 3.420 2.814) 8.568 6.694 ( -8.194 -5.366 -1.288) 9.879 6.942 ( -5.141 -4.313 -1.340) 6.843 7.644 ( -9.618 3.303 -1.605) 10.295 9.945 ( -15.043 -13.854 -1.107) 20.481 10.476 ( 14.482 -21.252 -2.671) 25.855 12.110 ( 0.562 9.582 -0.625) 9.619 14.241 ( -7.969 -5.641 -3.754) 10.461 14.858 ( -1.015 -14.757 5.878) 15.917 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -1.882 5.047 1.488) 5.589 2.328 ( -0.625 7.822 -0.363) 7.855 2.704 ( -0.993 12.798 -0.049) 12.836 2.918 ( 2.677 5.609 -0.974) 6.291 3.750 ( -2.453 3.997 1.886) 5.055 4.311 ( -2.060 -4.677 -0.071) 5.111 4.953 ( -4.615 -1.385 10.679) 11.716 5.361 ( 5.236 -3.208 -4.357) 7.530 5.660 ( -0.451 -2.523 -5.091) 5.700 6.470 ( -9.936 11.010 -0.204) 14.831 6.637 ( -0.835 9.816 2.984) 10.293 6.789 ( -4.715 -6.703 -2.152) 8.473 7.483 ( -17.488 12.260 -2.227) 21.474 9.605 ( -7.173 -13.515 -0.643) 15.315 10.553 ( 21.801 -27.378 -1.770) 35.042 12.214 ( -2.187 13.509 0.111) 13.685 14.024 ( -8.527 -4.113 -4.644) 10.545 14.769 ( 6.184 -17.557 5.686) 19.464 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -3.552 4.525 2.163) 6.146 2.360 ( -4.073 7.465 -1.355) 8.611 2.732 ( -5.829 5.735 0.516) 8.193 2.969 ( -2.955 6.182 -1.167) 6.951 3.804 ( -0.962 7.430 2.287) 7.833 4.223 ( -1.006 -3.493 1.076) 3.791 4.891 ( -2.539 -5.576 8.867) 10.778 5.398 ( 3.012 -1.402 -2.844) 4.373 5.661 ( 3.433 1.116 -6.320) 7.279 6.487 ( -2.800 9.728 2.266) 10.374 6.635 ( -3.287 3.860 -0.240) 5.076 6.782 ( -3.023 11.206 -1.291) 11.678 7.325 ( -15.215 18.218 -1.939) 23.815 9.479 ( 6.296 -9.204 -0.498) 11.162 10.632 ( 21.261 -30.518 -2.140) 37.256 12.271 ( -7.304 13.246 0.379) 15.131 13.899 ( -0.843 -0.183 -4.377) 4.461 14.743 ( 8.989 -18.196 5.305) 20.978 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -0.000 7.203 -1.018) 7.274 1.635 ( 0.000 17.509 2.089) 17.634 2.021 ( 0.000 1.774 0.697) 1.906 2.575 ( 0.000 16.869 -1.505) 16.936 3.390 ( 0.000 7.938 -0.400) 7.948 4.431 ( 0.000 10.700 0.849) 10.734 4.576 ( 0.000 9.163 1.868) 9.352 5.725 ( -0.000 -4.450 -1.115) 4.587 5.743 ( 0.000 19.655 5.187) 20.328 6.538 ( -0.000 5.464 -7.821) 9.541 7.115 ( -0.000 -8.364 -0.369) 8.372 7.300 ( -0.000 -23.243 -0.653) 23.252 7.927 ( -0.000 -46.658 1.837) 46.694 11.032 ( -0.000 -15.609 0.127) 15.610 11.365 ( -0.000 2.582 -11.321) 11.612 11.459 ( -0.000 -2.515 0.094) 2.517 14.321 ( 0.000 -7.814 1.042) 7.883 15.699 ( 0.000 -9.524 0.888) 9.566 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 9.763 7.196 -0.591) 12.143 1.834 ( 3.033 15.449 1.885) 15.856 2.055 ( 1.828 1.652 0.328) 2.486 2.707 ( -0.562 11.851 -1.565) 11.967 3.502 ( 7.006 3.008 0.153) 7.626 4.493 ( -4.261 7.149 -0.381) 8.331 4.701 ( 1.438 12.868 3.046) 13.302 5.647 ( -3.086 -3.893 -0.295) 4.976 5.923 ( -2.431 7.724 2.079) 8.360 6.584 ( 6.290 4.055 -4.520) 8.743 6.912 ( 7.692 -29.095 -16.308) 34.229 7.148 ( -7.708 -13.591 13.536) 20.673 7.566 ( 8.115 -36.680 3.703) 37.749 10.717 ( -15.361 -18.537 0.596) 24.082 11.136 ( -15.703 6.172 -6.127) 17.950 11.700 ( 15.556 -1.006 -2.031) 15.721 14.266 ( 2.776 -9.463 1.946) 10.052 15.537 ( -9.509 -6.762 -0.595) 11.683 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 8.165 6.528 1.381) 10.545 2.083 ( 11.093 9.229 -0.609) 14.443 2.124 ( 4.120 7.915 0.774) 8.957 2.780 ( -1.231 7.519 -1.306) 7.730 3.671 ( 10.233 -0.096 0.368) 10.240 4.433 ( -8.069 4.077 -1.037) 9.100 4.877 ( 3.420 11.530 3.190) 12.442 5.524 ( -6.196 -5.823 -1.263) 8.596 5.834 ( -5.150 -5.421 -0.652) 7.505 6.670 ( 5.056 -13.159 -5.850) 15.263 6.833 ( -0.784 -16.797 -0.132) 16.816 6.899 ( 4.761 -5.137 0.455) 7.019 7.499 ( 13.192 -20.959 5.534) 25.375 10.271 ( -13.656 -19.032 0.446) 23.429 10.867 ( -22.239 6.005 -4.420) 23.456 11.918 ( 11.123 1.056 -0.877) 11.208 14.234 ( 4.031 -10.927 2.377) 11.887 15.257 ( -15.627 -5.417 -1.030) 16.572 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 3.869 2.477 -1.488) 4.828 2.210 ( 4.685 6.769 2.264) 8.538 2.493 ( 15.894 14.430 0.616) 21.476 2.814 ( -1.412 5.188 -0.824) 5.439 3.805 ( 5.506 -1.996 -0.497) 5.878 4.329 ( -5.549 0.790 -0.182) 5.608 5.048 ( 3.568 8.901 3.142) 10.091 5.327 ( -7.377 -7.955 -2.190) 11.068 5.716 ( -1.805 -6.304 -0.454) 6.573 6.606 ( 1.907 -4.632 -3.700) 6.228 6.656 ( 0.406 -9.631 1.621) 9.775 6.935 ( -0.487 -6.414 -0.444) 6.448 7.603 ( 12.244 -7.810 2.547) 14.744 9.931 ( -3.900 -19.728 0.199) 20.111 10.476 ( -25.936 1.460 -2.526) 26.099 12.108 ( 8.183 5.500 -0.397) 9.868 14.188 ( 2.306 -11.691 1.716) 12.039 14.921 ( -16.084 -6.366 -0.635) 17.310 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 1.245 3.676 -0.072) 3.882 2.350 ( 3.803 5.214 0.539) 6.476 2.828 ( 1.207 1.288 -0.279) 1.787 2.880 ( 8.885 15.789 0.260) 18.119 3.815 ( -0.959 0.107 -0.235) 0.993 4.272 ( -0.932 -3.219 -0.220) 3.359 5.102 ( -9.430 -2.441 7.804) 12.481 5.213 ( 6.678 0.174 -6.234) 9.137 5.643 ( -0.996 -2.959 -0.894) 3.248 6.638 ( 1.174 1.341 0.091) 1.785 6.678 ( 4.224 8.491 -0.232) 9.487 6.793 ( -5.196 -8.838 -0.543) 10.267 7.710 ( 2.194 2.481 0.417) 3.339 9.708 ( -7.105 -12.693 -0.188) 14.547 10.088 ( -7.831 -13.682 -0.923) 15.792 12.302 ( 5.680 9.968 -0.102) 11.473 14.080 ( -3.464 -8.972 -0.498) 9.630 14.626 ( -7.894 -10.565 1.034) 13.229 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -1.232 3.168 1.432) 3.688 2.434 ( 0.749 3.974 -1.299) 4.248 2.838 ( -1.646 3.134 -0.091) 3.541 3.082 ( -0.258 7.525 0.143) 7.531 3.863 ( 2.932 7.489 1.913) 8.267 4.193 ( -2.277 -6.658 -2.340) 7.415 4.938 ( -5.922 -7.241 6.616) 11.458 5.312 ( 4.469 1.810 -3.723) 6.092 5.630 ( 0.925 1.620 -1.463) 2.371 6.599 ( -6.268 -5.010 -0.263) 8.029 6.718 ( 0.989 9.208 0.350) 9.268 6.859 ( 3.673 7.052 0.031) 7.951 7.734 ( -8.628 13.772 -0.597) 16.262 9.447 ( -9.935 -1.727 -0.080) 10.084 9.981 ( 16.595 -28.235 -0.939) 32.764 12.463 ( -0.171 10.820 0.191) 10.823 13.932 ( -4.627 -2.069 -2.587) 5.690 14.469 ( 2.974 -15.013 2.871) 15.572 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -0.000 4.737 -0.453) 4.758 1.976 ( 0.000 16.145 1.319) 16.198 2.049 ( 0.000 0.622 0.482) 0.787 2.803 ( -0.000 7.331 -1.554) 7.494 3.455 ( 0.000 0.566 0.538) 0.781 4.605 ( 0.000 6.562 0.189) 6.565 4.823 ( 0.000 12.370 1.707) 12.487 5.642 ( -0.000 -2.812 -1.444) 3.161 6.061 ( 0.000 5.181 2.816) 5.897 6.457 ( -0.000 -33.644 -14.319) 36.565 6.489 ( -0.000 -2.747 -3.782) 4.674 7.086 ( -0.000 -37.218 0.040) 37.219 7.176 ( 0.000 -12.257 16.267) 20.368 10.696 ( -0.000 -18.031 0.083) 18.032 11.404 ( -0.000 6.409 -4.808) 8.012 11.471 ( 0.000 3.242 0.133) 3.245 14.157 ( 0.000 -9.429 2.764) 9.826 15.559 ( -0.000 -4.669 -2.624) 5.356 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 10.707 3.932 0.146) 11.407 2.059 ( 1.301 1.552 -0.241) 2.039 2.169 ( 3.778 13.993 1.105) 14.536 2.843 ( -0.256 2.816 -1.148) 3.052 3.521 ( 6.524 0.275 0.807) 6.579 4.594 ( -6.248 2.318 -1.371) 6.804 4.947 ( 1.447 9.544 -0.203) 9.655 5.575 ( -4.686 -2.236 -1.960) 5.550 5.870 ( -8.990 -14.169 -0.375) 16.784 6.280 ( 12.770 -23.774 -7.707) 28.066 6.624 ( 11.386 -0.840 0.132) 11.418 6.768 ( 0.545 -18.284 -0.601) 18.302 7.139 ( 6.447 -18.121 12.338) 22.851 10.372 ( -15.465 -16.265 0.103) 22.444 11.271 ( -15.764 9.497 -2.297) 18.547 11.700 ( 13.891 1.585 -0.233) 13.983 14.093 ( 1.671 -9.297 3.394) 10.037 15.428 ( -9.447 -3.328 -3.448) 10.593 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 6.867 2.490 -0.568) 7.326 2.122 ( 10.030 1.201 0.424) 10.110 2.409 ( 8.675 13.686 0.747) 16.221 2.858 ( 0.635 1.034 -0.286) 1.246 3.657 ( 8.301 -0.154 -0.209) 8.305 4.457 ( -8.157 -2.094 -1.806) 8.613 5.043 ( 2.849 3.662 -5.023) 6.838 5.428 ( -8.828 -1.824 1.096) 9.081 5.677 ( -1.632 -8.319 2.779) 8.922 6.315 ( 15.104 -14.195 -3.584) 21.035 6.573 ( 2.872 -7.309 -3.441) 8.574 6.851 ( 3.592 -4.869 2.678) 6.616 7.200 ( 18.858 -14.412 6.861) 24.706 9.943 ( -16.121 -13.911 0.219) 21.294 11.001 ( -26.428 8.330 -0.887) 27.724 11.953 ( 13.756 2.532 -0.091) 13.987 14.042 ( 1.887 -9.913 3.718) 10.754 15.164 ( -16.465 -2.790 -3.749) 17.116 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 5.252 1.179 -1.907) 5.710 2.318 ( 6.960 3.148 1.696) 7.825 2.703 ( 11.336 5.919 0.188) 12.789 2.911 ( 4.069 4.533 0.545) 6.116 3.769 ( 4.989 0.587 -2.110) 5.449 4.307 ( -5.368 -3.725 0.622) 6.564 5.058 ( 1.689 -4.984 -11.008) 12.202 5.306 ( -7.013 3.941 7.123) 10.745 5.623 ( -0.053 -2.860 2.644) 3.895 6.473 ( 13.601 -3.200 -0.734) 13.992 6.661 ( 8.155 6.199 -2.207) 10.479 6.771 ( -2.575 -9.446 1.580) 9.917 7.460 ( 20.877 -8.941 2.653) 22.865 9.600 ( -8.098 -12.835 0.280) 15.179 10.542 ( -34.433 4.777 0.374) 34.764 12.215 ( 12.793 5.045 -0.234) 13.754 13.984 ( 1.308 -9.692 3.545) 10.403 14.815 ( -19.078 -3.221 -3.702) 19.698 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 0.000 3.206 0.122) 3.208 2.052 ( 0.000 -0.459 0.127) 0.476 2.271 ( 0.000 13.190 -0.273) 13.193 2.841 ( -0.000 -2.110 -0.358) 2.140 3.482 ( 0.000 2.091 1.281) 2.452 4.639 ( -0.000 -3.163 -6.023) 6.803 5.004 ( -0.000 5.593 -3.321) 6.505 5.601 ( -0.000 -0.861 -2.461) 2.607 5.810 ( -0.000 -23.580 0.129) 23.580 5.862 ( -0.000 -16.819 -0.701) 16.834 6.488 ( -0.000 -11.708 -2.863) 12.053 6.640 ( 0.000 2.352 2.202) 3.222 6.969 ( 0.000 -17.059 11.918) 20.810 10.372 ( -0.000 -13.957 -0.223) 13.959 11.527 ( 0.000 7.118 -0.454) 7.132 11.559 ( 0.000 4.845 -0.070) 4.845 14.014 ( 0.000 -6.951 3.912) 7.976 15.470 ( -0.000 -2.322 -4.494) 5.059 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 10.497 2.135 0.536) 10.725 2.061 ( 1.968 -0.345 -0.579) 2.080 2.422 ( 4.495 10.116 -1.265) 11.142 2.822 ( 1.353 -3.268 1.186) 3.731 3.554 ( 5.043 2.154 0.713) 5.530 4.503 ( -4.857 -7.804 -10.206) 13.736 5.026 ( -0.217 1.615 -5.270) 5.516 5.529 ( -3.868 -3.342 -0.682) 5.158 5.633 ( 0.527 -8.221 6.735) 10.641 5.900 ( 14.000 -8.171 0.385) 16.215 6.395 ( 5.595 -8.870 -7.297) 12.776 6.768 ( 4.359 1.503 5.034) 6.826 6.870 ( 6.005 -14.526 9.045) 18.135 10.115 ( -14.763 -9.312 -0.091) 17.455 11.443 ( -15.131 7.981 0.634) 17.119 11.738 ( 12.237 1.721 0.018) 12.357 13.967 ( -0.151 -5.753 4.295) 7.181 15.354 ( -9.477 -1.715 -4.991) 10.848 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 5.397 -0.596 -1.300) 5.583 2.163 ( 12.553 1.395 0.587) 12.644 2.598 ( 7.933 3.830 -1.588) 8.951 2.852 ( 4.042 -0.078 2.551) 4.781 3.676 ( 6.728 1.663 -0.927) 6.993 4.325 ( -3.529 -6.130 -7.539) 10.338 4.992 ( -1.524 -1.622 -7.140) 7.479 5.444 ( -4.233 -0.286 1.203) 4.410 5.630 ( -0.427 0.119 8.595) 8.606 6.160 ( 19.728 1.408 -1.250) 19.817 6.503 ( 13.088 2.198 -5.260) 14.275 6.712 ( -0.414 -11.234 5.383) 12.464 7.037 ( 16.307 -5.740 4.364) 17.831 9.757 ( -17.764 -4.723 0.211) 18.383 11.145 ( -28.220 5.625 1.714) 28.826 11.995 ( 15.733 1.376 -0.295) 15.796 13.922 ( -0.687 -4.591 4.449) 6.429 15.095 ( -16.909 -1.430 -5.255) 17.764 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.000 1.622 0.687) 1.762 2.036 ( -0.000 -0.895 -0.412) 0.985 2.437 ( -0.000 2.880 -3.884) 4.835 2.793 ( 0.000 -0.657 3.154) 3.222 3.528 ( 0.000 0.551 0.851) 1.014 4.419 ( -0.000 -7.101 -17.566) 18.947 5.038 ( -0.000 1.416 -1.983) 2.436 5.448 ( 0.000 -10.587 2.904) 10.978 5.550 ( -0.000 -1.320 -0.878) 1.586 5.856 ( 0.000 7.672 9.655) 12.332 6.227 ( -0.000 -6.826 -9.332) 11.562 6.708 ( 0.000 -14.894 7.122) 16.509 6.789 ( 0.000 4.457 6.515) 7.894 10.183 ( -0.000 -4.618 -0.125) 4.620 11.629 ( -0.000 1.939 -0.338) 1.968 11.653 ( 0.000 5.002 2.019) 5.394 13.944 ( 0.000 -2.973 4.663) 5.531 15.404 ( -0.000 -1.213 -5.673) 5.801 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 9.290 0.048 0.821) 9.326 2.048 ( 2.894 -0.256 -1.061) 3.093 2.465 ( 5.790 -4.548 -3.539) 8.169 2.833 ( 1.484 3.673 3.442) 5.248 3.568 ( 5.265 -1.850 -0.163) 5.583 4.294 ( -2.370 -1.268 -15.807) 16.034 5.015 ( -2.980 -0.397 -1.454) 3.340 5.460 ( 1.219 -0.470 0.752) 1.507 5.603 ( 7.476 2.234 2.727) 8.266 5.994 ( 4.351 10.453 5.546) 12.607 6.278 ( 12.507 2.476 -5.655) 13.947 6.601 ( 0.621 -11.987 4.981) 12.996 6.876 ( 4.406 0.764 5.734) 7.271 10.029 ( -14.542 0.767 0.099) 14.562 11.573 ( -15.279 3.783 2.762) 15.981 11.751 ( 12.244 -0.282 -0.402) 12.254 13.930 ( -1.140 -0.965 4.836) 5.061 15.293 ( -9.486 -0.914 -6.130) 11.331 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 0.000 -0.435 1.102) 1.184 2.018 ( -0.000 -0.420 -0.826) 0.926 2.331 ( -0.000 -8.933 -3.671) 9.658 2.876 ( 0.000 4.718 2.595) 5.385 3.492 ( -0.000 -2.985 -0.361) 3.007 4.277 ( -0.000 3.883 -17.011) 17.448 5.039 ( 0.000 -1.895 0.583) 1.983 5.498 ( 0.000 13.262 4.409) 13.975 5.556 ( -0.000 3.142 -3.299) 4.556 6.121 ( -0.000 2.158 -9.916) 10.148 6.174 ( 0.000 16.773 12.109) 20.687 6.517 ( 0.000 -6.930 4.345) 8.180 6.867 ( 0.000 -0.451 5.918) 5.935 10.201 ( 0.000 6.297 0.188) 6.300 11.620 ( -0.000 -2.579 -0.472) 2.622 11.745 ( 0.000 2.832 3.452) 4.466 13.958 ( 0.000 1.095 5.066) 5.183 15.346 ( -0.000 -0.700 -6.841) 6.877 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.204 ( 0.000 -0.000 4.574) 4.574 0.204 ( 0.000 -0.000 4.574) 4.574 0.479 ( 0.000 -0.000 9.945) 9.945 1.845 ( 0.000 -0.000 1.020) 1.020 1.845 ( 0.000 -0.000 1.020) 1.020 4.070 ( -0.000 0.000 -2.467) 2.467 4.684 ( 0.000 -0.000 8.139) 8.139 4.684 ( 0.000 -0.000 8.139) 8.139 5.425 ( -0.000 0.000 -9.829) 9.829 5.425 ( -0.000 0.000 -9.829) 9.829 6.505 ( 0.000 -0.000 3.510) 3.510 6.807 ( -0.000 0.000 -3.240) 3.240 10.205 ( 0.000 -0.000 1.814) 1.814 10.205 ( 0.000 -0.000 1.814) 1.814 11.912 ( -0.000 0.000 -0.503) 0.503 11.912 ( -0.000 0.000 -0.503) 0.503 14.366 ( -0.000 0.000 -0.439) 0.439 16.919 ( -0.000 0.000 -0.471) 0.471 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 9.602 5.544 7.273) 13.260 0.652 ( 23.352 13.482 0.298) 26.966 0.822 ( 32.880 18.983 1.273) 37.988 1.870 ( 1.794 1.036 0.959) 2.282 2.096 ( 18.963 10.948 1.510) 21.949 4.035 ( 0.585 0.338 -3.097) 3.169 4.724 ( 0.866 0.500 2.122) 2.346 4.926 ( 13.240 7.644 10.729) 18.677 5.372 ( 4.471 2.581 -11.964) 13.030 5.585 ( 13.918 8.036 -9.864) 18.857 6.721 ( -0.819 -0.473 -2.560) 2.729 7.565 ( 53.995 31.174 -30.365) 69.349 10.065 ( -13.739 -7.932 1.392) 15.925 10.459 ( 22.495 12.987 -9.501) 27.658 11.852 ( -4.690 -2.708 -0.348) 5.427 11.857 ( -4.305 -2.486 -0.953) 5.062 14.380 ( 1.403 0.810 -0.755) 1.788 16.675 ( -19.632 -11.335 5.988) 23.447 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 13.863 8.004 4.512) 16.631 1.114 ( 17.160 9.907 -0.774) 19.830 1.533 ( 29.035 16.763 0.699) 33.534 1.924 ( 2.536 1.464 0.796) 3.035 2.600 ( 23.532 13.586 1.594) 27.220 4.097 ( 5.919 3.417 -4.016) 7.927 4.690 ( -3.113 -1.797 -0.203) 3.600 5.309 ( 16.829 9.716 8.355) 21.153 5.547 ( 13.660 7.887 -8.891) 18.106 5.839 ( 7.744 4.471 -9.731) 13.216 6.740 ( 2.270 1.310 7.841) 8.267 8.195 ( 13.584 7.843 -30.078) 33.922 9.605 ( -26.896 -15.529 0.577) 31.063 10.937 ( 18.310 10.571 -19.605) 28.833 11.712 ( -7.262 -4.193 -0.041) 8.385 11.748 ( -3.677 -2.123 -5.942) 7.303 14.426 ( 2.999 1.731 -1.977) 3.987 16.188 ( -24.284 -14.020 12.280) 30.612 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 14.887 8.595 3.453) 17.534 1.423 ( 10.762 6.213 -0.821) 12.454 1.981 ( 2.258 1.304 0.603) 2.677 2.115 ( 22.169 12.799 0.381) 25.602 3.104 ( 19.632 11.334 0.289) 22.671 4.269 ( 9.836 5.679 -3.097) 11.773 4.615 ( -2.583 -1.491 -1.428) 3.307 5.706 ( 17.568 10.143 -3.351) 20.561 5.853 ( -2.810 -1.623 -5.931) 6.761 5.879 ( 14.523 8.385 3.303) 17.092 6.792 ( -3.436 -1.984 13.180) 13.764 8.190 ( -3.588 -2.072 -22.451) 22.830 8.880 ( -36.781 -21.235 -0.236) 42.471 11.087 ( 0.706 0.408 -7.676) 7.719 11.550 ( -6.427 -3.710 0.244) 7.425 11.644 ( -3.527 -2.036 -15.618) 16.140 14.480 ( 1.774 1.024 -3.913) 4.417 15.723 ( -19.585 -11.308 14.346) 26.782 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 14.749 8.515 3.398) 17.366 1.612 ( 6.668 3.850 -0.722) 7.734 2.026 ( 1.464 0.845 0.503) 1.763 2.531 ( 14.684 8.478 0.250) 16.957 3.436 ( 9.326 5.384 -2.157) 10.982 4.474 ( 7.017 4.051 -1.439) 8.229 4.618 ( 4.659 2.690 0.815) 5.441 5.730 ( -6.251 -3.609 -1.294) 7.333 6.056 ( 12.836 7.411 -10.343) 18.074 6.162 ( 9.664 5.580 10.328) 15.205 6.610 ( -15.453 -8.922 9.834) 20.374 7.956 ( -11.116 -6.418 -16.224) 20.688 7.985 ( -41.394 -23.899 -0.553) 47.801 10.987 ( -8.605 -4.968 0.375) 9.943 11.451 ( -2.013 -1.162 0.421) 2.362 11.499 ( -2.857 -1.649 -16.595) 16.920 14.443 ( -4.117 -2.377 -5.390) 7.188 15.435 ( -9.643 -5.567 13.815) 17.744 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 4.440 2.564 -0.724) 5.178 1.936 ( 13.646 7.879 3.623) 16.169 2.049 ( 0.422 0.244 0.477) 0.682 2.781 ( 7.359 4.248 -0.122) 8.498 3.523 ( 0.666 0.385 -3.715) 3.794 4.546 ( -1.178 -0.680 5.335) 5.506 4.795 ( 8.105 4.679 2.051) 9.580 5.599 ( -4.464 -2.578 1.125) 5.276 6.103 ( -5.803 -3.350 0.782) 6.746 6.234 ( -17.134 -9.892 1.486) 19.841 6.451 ( 12.472 7.201 -1.971) 14.536 7.077 ( -36.815 -21.255 0.563) 42.514 7.597 ( -16.531 -9.544 -11.108) 22.085 10.702 ( -15.310 -8.839 -0.178) 17.679 11.465 ( 2.806 1.620 0.488) 3.277 11.472 ( 3.907 2.256 -9.577) 10.586 14.284 ( -7.434 -4.292 -5.565) 10.231 15.347 ( -2.836 -1.637 11.140) 11.611 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 2.988 1.725 -0.793) 3.541 2.048 ( -0.575 -0.332 0.501) 0.832 2.226 ( 10.542 6.086 3.928) 12.791 2.858 ( -0.015 -0.008 -1.738) 1.739 3.519 ( 0.978 0.565 -2.564) 2.801 4.426 ( -11.431 -6.600 14.705) 19.760 4.952 ( 5.116 2.954 1.073) 6.004 5.549 ( -1.311 -0.757 2.514) 2.934 5.829 ( -17.224 -9.944 -1.816) 19.971 5.951 ( -5.272 -3.044 -7.592) 9.731 6.382 ( -18.951 -10.941 6.518) 22.832 6.727 ( 7.755 4.477 -5.163) 10.337 7.167 ( -17.993 -10.388 -7.986) 22.258 10.374 ( -12.368 -7.141 -0.391) 14.286 11.553 ( 4.139 2.390 0.473) 4.803 11.569 ( 5.822 3.361 -4.745) 8.228 14.110 ( -5.883 -3.396 -5.654) 8.838 15.340 ( -1.116 -0.644 8.574) 8.670 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 1.538 0.888 -0.934) 2.007 2.031 ( -0.923 -0.533 0.645) 1.246 2.396 ( 2.025 1.169 4.458) 5.034 2.826 ( 0.008 0.005 -3.446) 3.446 3.538 ( -0.079 -0.046 -1.303) 1.306 4.240 ( -6.905 -3.987 19.150) 20.743 5.031 ( 1.997 1.153 -0.299) 2.325 5.482 ( -8.674 -5.008 -4.126) 10.833 5.526 ( -0.976 -0.563 3.467) 3.645 5.961 ( 7.545 4.356 -11.494) 14.423 6.134 ( -6.432 -3.713 9.867) 12.350 6.772 ( -14.288 -8.249 -6.038) 17.569 6.850 ( 3.977 2.296 -6.055) 7.600 10.183 ( -3.986 -2.302 -0.053) 4.603 11.626 ( 1.647 0.951 0.445) 1.953 11.677 ( 4.489 2.592 -2.956) 5.967 13.994 ( -2.640 -1.524 -5.624) 6.397 15.342 ( -0.913 -0.527 7.083) 7.161 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.000 11.765 6.713) 13.546 0.653 ( 0.000 27.437 0.315) 27.439 0.859 ( 0.000 37.295 1.247) 37.316 1.871 ( 0.000 1.894 0.931) 2.110 2.105 ( 0.000 22.638 1.279) 22.674 4.019 ( -0.000 -0.887 -2.583) 2.731 4.714 ( 0.000 -10.009 5.509) 11.425 4.724 ( 0.000 4.929 7.283) 8.794 5.437 ( -0.000 16.538 -9.965) 19.308 5.607 ( -0.000 17.262 -9.007) 19.470 6.719 ( -0.000 0.270 -2.743) 2.756 7.477 ( -0.000 56.419 -24.401) 61.470 10.032 ( 0.000 -17.705 1.880) 17.804 10.487 ( -0.000 26.778 -8.313) 28.039 11.830 ( -0.000 -7.700 -0.122) 7.701 11.863 ( -0.000 -4.901 -0.490) 4.925 14.378 ( -0.000 1.528 -0.700) 1.681 16.710 ( 0.000 -18.697 4.061) 19.133 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 7.687 12.872 3.876) 15.486 1.049 ( 11.881 20.886 0.141) 24.029 1.353 ( 15.646 30.313 0.535) 34.117 1.912 ( 1.731 2.600 0.782) 3.219 2.468 ( 12.975 23.645 1.571) 27.017 4.041 ( 3.192 3.194 -3.429) 5.670 4.633 ( 0.981 -8.031 0.996) 8.152 5.080 ( 24.628 7.102 8.936) 27.145 5.545 ( -2.688 18.792 -9.273) 21.128 5.791 ( 3.480 13.858 -8.839) 16.801 6.753 ( 2.511 4.594 4.385) 6.829 7.966 ( 13.619 19.119 -27.787) 36.375 9.739 ( -11.384 -24.743 1.285) 27.267 10.798 ( 7.983 23.437 -16.270) 29.627 11.692 ( -4.741 -11.748 -0.156) 12.669 11.805 ( -0.689 -2.664 -1.572) 3.169 14.405 ( 1.397 2.231 -1.239) 2.909 16.396 ( -14.693 -19.754 7.621) 25.772 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 11.835 12.006 2.511) 17.044 1.399 ( 7.494 16.622 -0.118) 18.233 1.893 ( 16.916 15.943 0.226) 23.247 1.984 ( 4.030 6.472 0.626) 7.650 2.945 ( 16.340 19.530 1.014) 25.484 4.171 ( 7.349 6.606 -2.954) 10.314 4.576 ( 0.759 -6.603 -1.160) 6.747 5.623 ( 24.334 7.335 8.956) 26.947 5.698 ( 2.382 20.986 -8.741) 22.858 5.855 ( -1.489 1.733 -6.673) 7.054 6.888 ( 0.332 6.465 12.123) 13.743 8.083 ( 3.108 -3.187 -23.834) 24.246 9.178 ( -24.486 -27.176 0.211) 36.581 10.984 ( 4.573 2.016 -12.056) 13.051 11.453 ( -6.435 -16.703 -1.462) 17.960 11.796 ( -2.127 6.494 -6.034) 9.116 14.455 ( 2.083 2.303 -2.338) 3.887 15.951 ( -18.255 -17.033 10.345) 27.026 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 13.073 11.544 2.112) 17.567 1.633 ( 3.090 13.653 0.099) 13.998 2.020 ( 1.576 2.382 0.114) 2.858 2.364 ( 15.705 11.715 0.443) 19.598 3.354 ( 10.986 13.775 -0.571) 17.628 4.366 ( 8.213 4.320 -1.976) 9.488 4.557 ( 3.982 -0.800 -0.742) 4.129 5.770 ( -4.173 -4.313 -2.460) 6.486 5.894 ( 9.907 5.748 -8.137) 14.050 6.113 ( 12.260 17.309 8.655) 22.909 6.858 ( -13.260 -0.626 13.298) 18.790 7.923 ( -4.354 -12.376 -19.303) 23.339 8.422 ( -33.676 -22.978 -1.108) 40.784 10.983 ( 1.829 -7.755 -2.644) 8.395 11.162 ( -1.902 -22.042 -5.627) 22.829 11.777 ( -7.966 10.732 -6.600) 14.907 14.473 ( -1.626 0.757 -3.997) 4.381 15.567 ( -12.404 -13.330 11.571) 21.573 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 2.607 12.767 -0.508) 13.041 1.816 ( 10.179 10.190 2.896) 14.691 2.061 ( 0.543 2.638 -0.007) 2.694 2.676 ( 10.687 5.889 0.356) 12.207 3.546 ( 0.306 7.474 -2.560) 7.906 4.485 ( 6.571 -2.220 0.445) 6.950 4.716 ( 8.171 6.236 1.961) 10.465 5.636 ( -4.581 -5.714 0.359) 7.333 6.024 ( 5.586 -5.467 -4.374) 8.957 6.427 ( 1.371 13.201 5.911) 14.529 6.562 ( -18.752 0.186 6.723) 19.922 7.441 ( -28.476 -25.156 -5.033) 38.328 7.774 ( -20.055 -6.319 -10.248) 23.391 10.738 ( -9.260 -20.958 -0.193) 22.914 11.117 ( 14.706 -12.173 -5.422) 19.846 11.722 ( -8.973 12.580 -3.792) 15.911 14.369 ( -7.892 -1.737 -5.178) 9.598 15.365 ( -2.671 -10.171 10.896) 15.143 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -1.879 11.499 -0.479) 11.661 2.045 ( 2.051 1.793 1.310) 3.023 2.161 ( 8.190 10.473 1.628) 13.395 2.837 ( 3.647 1.893 -0.487) 4.138 3.553 ( -3.171 4.601 -2.411) 6.086 4.522 ( -1.271 -5.429 6.724) 8.735 4.891 ( 5.386 3.226 3.877) 7.379 5.542 ( -0.397 -4.215 1.247) 4.413 5.912 ( -5.908 -10.476 -4.291) 12.770 6.187 ( -19.883 1.609 2.467) 20.099 6.613 ( -9.190 1.343 1.290) 9.377 6.771 ( -15.427 -2.497 -1.082) 15.665 7.362 ( -18.908 -7.018 -10.056) 22.536 10.380 ( -7.049 -21.447 -0.609) 22.584 11.277 ( 16.809 -8.975 -2.904) 19.275 11.711 ( -5.921 12.507 -1.429) 13.911 14.179 ( -8.560 -3.103 -5.392) 10.582 15.308 ( 2.170 -8.956 8.717) 12.685 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -3.306 10.252 -0.629) 10.790 2.054 ( -1.217 1.107 0.803) 1.830 2.402 ( 5.298 9.118 2.856) 10.926 2.840 ( -2.364 0.087 -2.413) 3.379 3.562 ( -0.675 4.704 -1.001) 4.856 4.383 ( -8.812 -7.214 14.307) 18.286 4.987 ( 3.157 -0.283 2.678) 4.150 5.518 ( -0.539 -3.779 1.650) 4.158 5.697 ( -10.370 -1.264 -6.189) 12.143 5.924 ( -8.659 5.776 -4.580) 11.371 6.322 ( -11.746 0.793 7.597) 14.011 6.815 ( 0.833 4.550 -4.612) 6.532 6.953 ( -17.163 -3.892 -7.990) 19.327 10.115 ( -0.834 -17.382 -0.154) 17.403 11.457 ( 14.845 -8.832 -2.141) 17.406 11.739 ( -4.792 11.183 -0.168) 12.167 14.014 ( -4.900 -3.067 -5.335) 7.866 15.296 ( 3.405 -8.807 6.903) 11.696 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.000 16.423 3.798) 16.857 1.123 ( 0.000 20.256 -0.994) 20.280 1.571 ( 0.000 33.856 -0.099) 33.856 1.923 ( 0.000 2.710 0.799) 2.825 2.624 ( 0.000 27.235 1.061) 27.255 4.041 ( -0.000 5.442 -2.630) 6.044 4.564 ( 0.000 -6.602 2.889) 7.206 4.967 ( 0.000 14.806 7.076) 16.410 5.704 ( -0.000 11.768 -5.648) 13.053 5.942 ( -0.000 21.567 -8.976) 23.360 6.793 ( 0.000 8.120 6.250) 10.247 7.935 ( -0.000 9.280 -22.886) 24.695 9.551 ( -0.000 -32.272 1.989) 32.333 10.950 ( -0.000 24.563 -17.923) 30.407 11.630 ( -0.000 -12.265 1.058) 12.311 11.727 ( -0.000 -8.242 -0.410) 8.252 14.410 ( -0.000 1.943 -1.135) 2.250 16.334 ( 0.000 -21.597 5.273) 22.231 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 4.120 16.740 1.967) 17.351 1.403 ( 10.064 14.983 -0.304) 18.052 1.906 ( 3.307 20.157 -0.209) 20.428 1.991 ( 4.221 9.849 0.316) 10.720 2.954 ( 8.117 23.524 0.743) 24.896 4.140 ( 3.991 8.749 -1.685) 9.763 4.513 ( -0.492 -4.254 1.016) 4.401 5.338 ( 19.399 13.383 7.260) 24.661 5.786 ( 1.834 4.842 -3.887) 6.475 6.036 ( -7.840 20.538 -8.738) 23.656 6.969 ( 3.963 10.785 10.986) 15.897 7.907 ( 2.614 -7.869 -19.601) 21.283 9.145 ( -8.552 -36.280 1.536) 37.306 11.015 ( -6.753 8.292 -13.636) 17.329 11.416 ( -7.626 -16.122 0.605) 17.845 11.757 ( 8.045 -0.760 -2.843) 8.566 14.435 ( 1.617 1.070 -1.167) 2.263 16.048 ( -10.757 -19.308 5.166) 22.698 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 8.721 15.923 1.287) 18.201 1.695 ( 7.524 12.986 0.185) 15.009 2.013 ( 2.054 3.081 -0.060) 3.704 2.288 ( 8.571 16.965 -0.187) 19.008 3.326 ( 10.616 17.809 0.377) 20.737 4.301 ( 4.396 6.222 -1.272) 7.724 4.493 ( 2.292 0.746 0.035) 2.411 5.721 ( 8.972 0.485 2.361) 9.290 5.799 ( 0.449 0.309 -2.753) 2.806 6.194 ( 4.826 25.351 -1.676) 25.860 7.087 ( -5.968 3.721 13.928) 15.603 7.745 ( 0.605 -17.224 -18.688) 25.422 8.592 ( -16.590 -31.865 0.436) 35.928 10.870 ( -4.736 -5.975 -6.611) 10.092 11.090 ( -10.382 -18.756 -1.147) 21.469 11.873 ( 3.361 4.045 -4.297) 6.791 14.469 ( 1.729 -0.158 -1.540) 2.321 15.674 ( -13.721 -16.140 5.902) 21.991 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 10.663 15.200 1.560) 18.633 1.907 ( 2.184 13.883 0.063) 14.054 2.070 ( 1.559 2.755 -0.437) 3.196 2.565 ( 9.280 8.556 0.173) 12.623 3.612 ( 4.181 12.351 -0.648) 13.055 4.355 ( 3.673 -2.677 -1.092) 4.674 4.655 ( 7.937 8.992 1.368) 12.072 5.650 ( -4.403 -7.144 -0.057) 8.392 5.882 ( 4.372 -1.488 -3.044) 5.531 6.546 ( 5.942 18.912 3.683) 20.162 6.905 ( -18.257 -3.507 12.080) 22.170 7.459 ( -7.077 -22.327 -14.452) 27.521 8.031 ( -19.573 -15.648 -2.292) 25.164 10.698 ( -11.887 -20.697 -0.927) 23.885 10.773 ( 6.651 -12.426 -4.145) 14.691 11.913 ( -2.607 6.453 -2.856) 7.523 14.449 ( -3.349 -1.272 -3.046) 4.702 15.351 ( -8.031 -14.651 7.080) 18.146 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 3.024 8.872 1.891) 9.562 2.075 ( 0.031 14.994 -0.097) 14.995 2.141 ( 5.594 8.597 -0.766) 10.286 2.764 ( 7.247 3.152 0.209) 7.905 3.688 ( -5.132 7.756 -1.289) 9.390 4.418 ( 6.833 -4.609 0.698) 8.271 4.867 ( 5.523 7.113 3.963) 9.839 5.507 ( -2.701 -7.930 0.295) 8.383 5.861 ( -0.977 -7.287 -3.342) 8.076 6.533 ( -17.279 -0.733 6.602) 18.511 6.776 ( -4.427 6.664 3.517) 8.740 7.001 ( -16.342 -12.404 -6.106) 21.406 7.619 ( -18.913 -2.662 -6.503) 20.176 10.290 ( -10.452 -21.605 -1.314) 24.037 10.839 ( 17.490 -15.774 -1.826) 23.623 11.921 ( -4.505 9.866 -1.243) 10.917 14.301 ( -9.897 -2.380 -4.513) 11.134 15.176 ( 1.177 -14.776 7.281) 16.515 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -0.846 4.834 1.414) 5.108 2.129 ( -4.425 11.579 -0.707) 12.416 2.410 ( 7.018 14.520 0.356) 16.131 2.861 ( 1.281 1.355 -0.744) 2.008 3.656 ( -4.417 6.106 -0.002) 7.536 4.431 ( -0.566 -6.980 3.696) 7.918 4.977 ( 0.203 1.965 7.808) 8.054 5.443 ( 3.374 -5.851 -1.619) 6.946 5.719 ( -4.217 -5.617 -5.736) 9.068 6.289 ( -18.098 7.126 1.786) 19.532 6.541 ( -11.120 -1.007 3.230) 11.624 6.871 ( -4.234 1.253 -1.646) 4.712 7.266 ( -21.219 5.954 -6.879) 23.087 9.947 ( -4.279 -20.912 -0.568) 21.353 11.003 ( 20.990 -18.499 -1.255) 28.006 11.953 ( -4.788 12.997 -0.215) 13.852 14.084 ( -9.325 -3.467 -4.807) 11.049 15.116 ( 5.626 -15.213 6.159) 17.350 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.000 17.822 1.920) 17.925 1.430 ( -0.000 12.300 -1.116) 12.351 1.980 ( 0.000 2.551 0.640) 2.630 2.153 ( 0.000 25.802 -1.102) 25.826 3.109 ( 0.000 20.546 0.064) 20.546 4.203 ( 0.000 11.499 -0.186) 11.501 4.505 ( 0.000 -0.816 2.383) 2.519 5.363 ( 0.000 20.127 7.041) 21.324 5.779 ( -0.000 -0.293 -2.286) 2.305 6.278 ( -0.000 17.412 -9.370) 19.773 7.070 ( 0.000 10.654 10.084) 14.670 7.715 ( -0.000 -16.464 -13.195) 21.099 8.823 ( -0.000 -42.854 2.098) 42.905 11.151 ( -0.000 6.577 -13.176) 14.726 11.398 ( 0.000 -11.192 1.103) 11.246 11.563 ( -0.000 -7.518 -0.244) 7.522 14.416 ( -0.000 -1.515 -0.258) 1.537 15.967 ( -0.000 -17.544 1.578) 17.615 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 2.985 17.397 0.650) 17.663 1.636 ( 9.880 9.487 -0.011) 13.697 2.016 ( 1.152 2.514 0.350) 2.787 2.392 ( 1.630 19.738 -1.250) 19.845 3.339 ( 6.674 14.487 0.263) 15.953 4.334 ( 0.984 9.869 0.123) 9.918 4.511 ( -0.663 4.805 1.729) 5.149 5.648 ( 5.499 10.577 5.485) 13.122 5.777 ( 2.297 0.500 -0.538) 2.411 6.368 ( -1.084 16.045 -7.616) 17.794 7.188 ( 2.152 0.647 4.092) 4.669 7.496 ( -0.944 -21.056 -5.047) 21.673 8.376 ( -2.489 -42.346 1.833) 42.459 11.027 ( -16.286 1.744 -6.530) 17.632 11.086 ( -9.747 -17.082 -0.021) 19.667 11.722 ( 14.053 -1.441 -1.933) 14.258 14.409 ( 2.292 -3.992 0.631) 4.646 15.734 ( -8.967 -14.000 0.128) 16.626 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 7.460 17.276 0.621) 18.829 1.905 ( 10.931 8.554 0.320) 13.884 2.066 ( 1.714 2.518 -0.076) 3.047 2.576 ( 1.816 12.716 -0.925) 12.879 3.600 ( 9.509 8.901 0.529) 13.035 4.354 ( -4.068 2.540 -1.040) 4.908 4.650 ( 5.007 11.821 1.897) 12.977 5.646 ( -3.163 -6.333 0.385) 7.090 5.852 ( -0.767 2.580 0.037) 2.692 6.596 ( 8.718 15.229 -1.317) 17.597 7.126 ( -4.864 -11.168 1.913) 12.330 7.229 ( -3.912 -21.705 -3.762) 22.373 7.993 ( -1.210 -28.507 1.722) 28.585 10.655 ( -11.394 -18.083 1.413) 21.420 10.804 ( -14.895 -3.066 -5.235) 16.082 11.899 ( 7.649 0.978 -1.348) 7.828 14.411 ( 2.825 -5.756 0.920) 6.477 15.417 ( -12.906 -11.641 0.208) 17.382 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 6.680 12.337 1.150) 14.077 2.121 ( 1.951 2.770 -0.489) 3.424 2.187 ( 9.190 15.528 -0.094) 18.044 2.705 ( 3.129 6.013 -0.266) 6.783 3.790 ( 3.248 5.060 0.015) 6.013 4.311 ( -0.442 -0.418 -0.557) 0.825 4.864 ( 5.852 10.520 1.804) 12.172 5.492 ( -5.353 -8.853 -0.292) 10.350 5.817 ( -1.648 -3.858 -0.948) 4.301 6.733 ( -5.667 -5.038 1.644) 7.759 6.897 ( -8.070 -7.642 7.058) 13.166 6.998 ( 0.201 -8.466 -9.053) 12.396 7.775 ( -4.059 -9.896 0.035) 10.696 10.319 ( -9.584 -18.882 0.160) 21.176 10.527 ( -6.188 -8.519 -2.182) 10.753 12.008 ( 2.891 4.805 -0.600) 5.639 14.370 ( -1.953 -5.973 -0.474) 6.302 15.106 ( -9.114 -12.583 1.584) 15.617 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -0.174 5.065 1.357) 5.247 2.226 ( 3.721 7.008 -1.002) 7.998 2.498 ( 4.840 20.984 -0.435) 21.540 2.809 ( 5.196 1.510 0.206) 5.415 3.801 ( -5.024 3.276 0.368) 6.009 4.330 ( 3.765 -3.939 -0.324) 5.459 5.039 ( 2.015 7.477 4.792) 9.107 5.328 ( -1.182 -9.692 -2.202) 10.009 5.721 ( -3.476 -5.202 -1.589) 6.455 6.568 ( -7.455 1.501 3.804) 8.503 6.676 ( -7.836 -5.399 -2.259) 9.781 6.935 ( -4.410 -3.760 -0.335) 5.805 7.626 ( -11.329 5.180 -2.149) 12.641 9.936 ( -15.156 -13.548 -0.765) 20.343 10.463 ( 14.662 -21.323 -0.015) 25.878 12.106 ( 0.710 9.810 -0.113) 9.836 14.210 ( -9.665 -4.735 -2.752) 11.108 14.902 ( 0.675 -16.063 3.304) 16.413 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 0.000 7.357 -0.649) 7.385 1.649 ( 0.000 17.516 0.668) 17.529 2.027 ( 0.000 1.758 0.439) 1.812 2.560 ( -0.000 16.770 -1.541) 16.840 3.391 ( 0.000 8.047 0.507) 8.063 4.438 ( 0.000 10.575 0.859) 10.610 4.595 ( 0.000 9.350 1.962) 9.553 5.717 ( -0.000 -4.277 -0.527) 4.309 5.801 ( 0.000 18.919 6.840) 20.118 6.455 ( -0.000 6.238 -9.255) 11.161 7.005 ( -0.000 -23.141 -15.971) 28.117 7.415 ( 0.000 -7.930 17.935) 19.610 7.945 ( -0.000 -46.914 1.881) 46.952 11.028 ( -0.000 -13.746 -1.020) 13.784 11.291 ( -0.000 2.129 -3.773) 4.332 11.460 ( -0.000 -2.394 -0.081) 2.396 14.336 ( 0.000 -7.049 2.008) 7.330 15.688 ( -0.000 -10.305 -3.163) 10.779 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 9.861 7.576 -0.220) 12.437 1.844 ( 3.224 15.198 0.211) 15.538 2.058 ( 1.663 1.698 0.293) 2.395 2.693 ( -0.472 11.854 -1.381) 11.943 3.508 ( 7.042 3.112 1.139) 7.782 4.489 ( -4.941 6.978 -0.258) 8.554 4.723 ( 1.763 12.730 1.456) 12.934 5.644 ( -2.820 -4.774 -0.373) 5.558 5.948 ( -4.678 6.134 3.129) 8.324 6.536 ( 8.757 6.036 -5.366) 11.913 6.765 ( 8.395 -26.961 -13.966) 31.502 7.274 ( -9.941 -19.744 12.273) 25.284 7.611 ( 8.697 -32.247 5.793) 33.897 10.725 ( -15.076 -18.954 0.982) 24.238 11.091 ( -16.103 7.288 -2.951) 17.920 11.690 ( 15.555 -0.657 -0.165) 15.569 14.290 ( 2.674 -8.854 3.036) 9.735 15.513 ( -8.851 -7.305 -4.285) 12.250 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 7.748 6.436 -0.156) 10.074 2.077 ( 11.344 8.004 -0.515) 13.893 2.133 ( 4.418 9.341 0.964) 10.378 2.769 ( -1.057 7.612 -0.828) 7.730 3.677 ( 9.913 -0.354 0.853) 9.956 4.425 ( -8.006 4.185 -0.747) 9.065 4.890 ( 3.746 10.514 -0.538) 11.175 5.513 ( -6.121 -6.469 -0.969) 8.958 5.837 ( -5.520 -5.142 1.408) 7.674 6.602 ( 6.979 -16.312 -7.528) 19.273 6.808 ( 7.339 -4.840 -3.296) 9.389 6.942 ( -3.045 -14.748 6.040) 16.226 7.556 ( 10.390 -19.145 6.316) 22.679 10.278 ( -13.632 -19.447 1.076) 23.774 10.837 ( -22.298 6.885 -1.541) 23.388 11.914 ( 11.022 1.276 0.171) 11.096 14.262 ( 3.473 -10.346 3.471) 11.452 15.232 ( -14.536 -6.057 -4.229) 16.306 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 0.000 4.893 -0.039) 4.893 1.980 ( 0.000 16.155 -0.592) 16.166 2.052 ( 0.000 0.580 0.170) 0.605 2.790 ( -0.000 7.536 -1.103) 7.617 3.467 ( 0.000 0.662 1.850) 1.965 4.602 ( -0.000 5.558 -0.985) 5.644 4.829 ( 0.000 11.250 -0.482) 11.261 5.628 ( -0.000 -3.596 -1.624) 3.946 6.086 ( 0.000 0.954 2.283) 2.475 6.340 ( -0.000 -30.128 -9.976) 31.737 6.458 ( -0.000 3.505 -2.526) 4.320 7.085 ( -0.000 -39.287 -0.215) 39.288 7.331 ( 0.000 -14.253 15.739) 21.234 10.698 ( -0.000 -18.238 0.280) 18.240 11.379 ( 0.000 7.141 -0.140) 7.142 11.471 ( 0.000 3.261 -0.104) 3.263 14.189 ( 0.000 -9.096 3.944) 9.914 15.517 ( -0.000 -4.609 -6.004) 7.569 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 10.939 4.061 0.357) 11.674 2.054 ( 0.842 1.822 -0.723) 2.134 2.172 ( 4.233 13.498 -0.493) 14.154 2.836 ( -0.205 3.319 -0.289) 3.338 3.533 ( 6.147 0.032 1.659) 6.367 4.571 ( -5.650 0.186 -3.603) 6.704 4.928 ( 1.235 7.305 -3.373) 8.140 5.557 ( -4.250 -2.446 -1.825) 5.233 5.880 ( -7.632 -12.747 2.327) 15.038 6.221 ( 12.393 -19.980 -4.710) 23.978 6.622 ( 8.451 -2.635 -0.568) 8.871 6.765 ( 3.364 -17.865 0.117) 18.179 7.256 ( 4.633 -18.716 11.824) 22.617 10.375 ( -15.268 -16.591 0.428) 22.551 11.261 ( -16.023 10.094 0.335) 18.940 11.702 ( 13.912 1.576 0.522) 14.011 14.131 ( 1.637 -9.128 4.560) 10.334 15.381 ( -9.138 -3.152 -6.350) 11.566 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 0.000 3.343 0.492) 3.379 2.051 ( -0.000 -0.571 -0.195) 0.603 2.258 ( -0.000 12.659 -2.486) 12.901 2.844 ( 0.000 -1.167 0.951) 1.505 3.497 ( 0.000 1.757 1.972) 2.641 4.554 ( -0.000 -8.358 -11.474) 14.195 4.971 ( -0.000 5.026 -2.978) 5.842 5.575 ( -0.000 -0.828 -2.867) 2.984 5.815 ( -0.000 -21.999 0.985) 22.021 5.887 ( 0.000 -10.780 5.207) 11.972 6.443 ( -0.000 -18.066 -5.909) 19.008 6.677 ( 0.000 7.231 4.885) 8.726 7.078 ( 0.000 -19.021 10.481) 21.718 10.371 ( -0.000 -14.130 0.094) 14.130 11.535 ( 0.000 7.395 2.263) 7.734 11.557 ( 0.000 4.799 -0.297) 4.808 14.058 ( 0.000 -6.886 5.053) 8.541 15.415 ( -0.000 -1.969 -6.914) 7.189 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.244 ( 0.000 -0.000 3.620) 3.620 0.244 ( 0.000 -0.000 3.620) 3.620 0.564 ( 0.000 -0.000 7.657) 7.657 1.854 ( 0.000 -0.000 0.850) 0.850 1.854 ( 0.000 -0.000 0.850) 0.850 4.047 ( -0.000 0.000 -2.175) 2.175 4.770 ( 0.000 -0.000 9.688) 9.688 4.770 ( 0.000 -0.000 9.688) 9.688 5.324 ( -0.000 0.000 -11.147) 11.147 5.324 ( -0.000 0.000 -11.147) 11.147 6.540 ( 0.000 -0.000 3.672) 3.672 6.775 ( -0.000 0.000 -3.464) 3.464 10.222 ( 0.000 -0.000 1.572) 1.572 10.222 ( 0.000 -0.000 1.572) 1.572 11.907 ( -0.000 0.000 -0.443) 0.443 11.907 ( -0.000 0.000 -0.443) 0.443 14.362 ( -0.000 0.000 -0.377) 0.377 16.914 ( -0.000 0.000 -0.414) 0.414 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 22.539 13.013 0.329) 26.028 0.685 ( 8.479 4.895 5.496) 11.228 0.835 ( 32.563 18.800 1.337) 37.624 1.878 ( 1.766 1.020 0.723) 2.164 2.109 ( 19.344 11.168 1.153) 22.366 4.009 ( -0.294 -0.170 -2.193) 2.219 4.748 ( -1.312 -0.757 2.954) 3.320 5.031 ( 13.208 7.626 10.835) 18.709 5.258 ( 4.769 2.753 -11.482) 12.734 5.488 ( 13.894 8.022 -10.065) 18.939 6.695 ( 2.713 1.566 -2.786) 4.192 7.347 ( 42.161 24.342 -15.995) 51.244 10.076 ( -14.006 -8.086 0.763) 16.190 10.402 ( 15.906 9.184 -3.387) 18.677 11.849 ( -4.852 -2.802 -0.824) 5.663 11.850 ( -4.587 -2.648 -0.167) 5.300 14.373 ( 1.133 0.654 -0.577) 1.430 16.718 ( -16.296 -9.409 3.123) 19.075 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 13.326 7.694 3.333) 15.745 1.108 ( 17.003 9.816 -0.375) 19.637 1.541 ( 28.859 16.662 0.960) 33.337 1.930 ( 2.481 1.433 0.506) 2.910 2.614 ( 23.315 13.461 1.353) 26.956 4.062 ( 5.829 3.365 -3.219) 7.460 4.681 ( -3.971 -2.293 -1.644) 4.871 5.327 ( 12.527 7.232 -5.913) 15.627 5.528 ( 18.157 10.483 6.151) 21.850 5.753 ( 8.562 4.943 -7.927) 12.672 6.810 ( 6.635 3.831 6.547) 10.078 7.931 ( 14.540 8.395 -23.824) 29.146 9.607 ( -27.179 -15.692 -0.236) 31.385 10.799 ( 17.369 10.028 -9.601) 22.236 11.706 ( -6.781 -3.915 -3.367) 8.523 11.712 ( -7.162 -4.135 0.150) 8.271 14.411 ( 2.324 1.342 -1.306) 2.985 16.283 ( -22.037 -12.723 7.751) 26.601 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 14.864 8.582 2.540) 17.351 1.417 ( 10.736 6.199 -0.310) 12.401 1.986 ( 2.234 1.290 0.299) 2.597 2.121 ( 22.049 12.730 0.821) 25.474 3.106 ( 18.842 10.878 0.200) 21.758 4.241 ( 10.283 5.937 -2.591) 12.153 4.594 ( -2.198 -1.269 -2.737) 3.733 5.629 ( 16.312 9.418 -10.157) 21.400 5.804 ( -1.159 -0.669 -4.107) 4.320 5.960 ( 15.809 9.127 11.004) 21.315 6.921 ( -2.641 -1.525 13.538) 13.877 7.970 ( -1.645 -0.950 -22.599) 22.678 8.874 ( -36.931 -21.322 -1.023) 42.656 11.026 ( 4.828 2.788 -4.387) 7.095 11.529 ( -7.206 -4.161 -8.927) 12.204 11.553 ( -6.367 -3.676 0.333) 7.360 14.449 ( 0.808 0.467 -2.723) 2.878 15.841 ( -18.482 -10.670 10.249) 23.674 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 6.606 3.814 -0.279) 7.633 1.630 ( 14.922 8.615 2.450) 17.404 2.029 ( 1.484 0.857 0.196) 1.724 2.536 ( 14.571 8.413 0.814) 16.845 3.416 ( 8.275 4.778 -1.943) 9.751 4.460 ( 8.097 4.675 -1.394) 9.453 4.620 ( 6.191 3.574 -0.338) 7.156 5.720 ( -4.904 -2.831 -0.791) 5.718 5.960 ( 14.456 8.346 -9.522) 19.217 6.262 ( 7.754 4.477 10.476) 13.781 6.719 ( -18.306 -10.569 12.695) 24.657 7.786 ( -8.347 -4.819 -18.872) 21.191 7.976 ( -41.184 -23.777 -1.169) 47.569 10.996 ( -8.129 -4.693 1.402) 9.491 11.366 ( -1.862 -1.075 -10.785) 10.997 11.455 ( -1.983 -1.145 0.363) 2.319 14.396 ( -4.684 -2.704 -4.312) 6.917 15.554 ( -9.747 -5.627 10.675) 15.512 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 4.356 2.515 -0.369) 5.044 1.965 ( 13.857 8.000 2.401) 16.179 2.052 ( 0.462 0.267 0.161) 0.558 2.782 ( 6.903 3.985 0.473) 7.984 3.490 ( 0.609 0.352 -2.991) 3.072 4.584 ( 2.614 1.509 2.765) 4.094 4.816 ( 8.531 4.925 2.074) 10.067 5.612 ( -3.894 -2.248 1.581) 4.766 6.102 ( -3.236 -1.868 -0.940) 3.853 6.266 ( -21.802 -12.588 5.368) 25.741 6.443 ( 8.671 5.006 0.434) 10.021 7.082 ( -35.605 -20.556 0.415) 41.115 7.475 ( -14.348 -8.284 -14.025) 21.707 10.700 ( -15.687 -9.057 -0.247) 18.116 11.402 ( 5.649 3.261 -4.915) 8.167 11.469 ( 2.824 1.630 0.324) 3.277 14.233 ( -7.590 -4.382 -4.972) 10.077 15.445 ( -3.618 -2.089 8.983) 9.907 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 0.000 26.376 0.330) 26.378 0.682 ( 0.000 11.150 5.150) 12.282 0.867 ( 0.000 36.314 0.525) 36.318 1.878 ( 0.000 1.903 0.690) 2.024 2.116 ( 0.000 22.918 0.832) 22.933 3.999 ( -0.000 -1.507 -1.639) 2.227 4.766 ( 0.000 -12.536 5.007) 13.499 4.802 ( 0.000 4.171 9.051) 9.966 5.354 ( -0.000 18.665 -6.996) 19.933 5.512 ( -0.000 17.936 -10.701) 20.886 6.692 ( -0.000 3.768 -2.731) 4.654 7.304 ( -0.000 44.832 -12.454) 46.530 10.050 ( 0.000 -17.599 1.780) 17.689 10.430 ( -0.000 19.614 -4.112) 20.040 11.829 ( -0.000 -7.337 0.085) 7.337 11.858 ( -0.000 -4.893 -0.491) 4.918 14.372 ( -0.000 1.268 -0.517) 1.370 16.737 ( 0.000 -16.379 1.846) 16.482 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 7.300 12.362 2.439) 14.562 1.052 ( 11.715 20.328 0.386) 23.466 1.357 ( 15.920 29.885 0.339) 33.862 1.918 ( 1.647 2.587 0.507) 3.108 2.481 ( 13.136 23.585 1.040) 27.016 4.014 ( 2.755 3.128 -2.158) 4.694 4.640 ( -0.829 -7.960 0.477) 8.018 5.171 ( 25.463 6.134 9.886) 27.995 5.458 ( -4.730 20.630 -8.712) 22.888 5.712 ( 4.323 13.852 -7.220) 16.208 6.790 ( 5.217 8.815 3.257) 10.749 7.745 ( 11.978 18.510 -17.752) 28.306 9.750 ( -12.152 -24.450 0.902) 27.318 10.685 ( 7.454 18.973 -7.931) 21.873 11.691 ( -5.313 -11.412 -0.048) 12.588 11.794 ( -1.570 -3.270 -0.788) 3.712 14.395 ( 1.149 1.925 -0.784) 2.375 16.451 ( -12.788 -18.794 3.958) 23.074 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 11.930 11.552 1.515) 16.676 1.399 ( 7.433 16.710 0.112) 18.289 1.896 ( 16.777 15.264 0.360) 22.685 1.990 ( 4.304 6.701 0.417) 7.975 2.954 ( 16.020 19.249 0.693) 25.053 4.146 ( 7.280 7.212 -2.040) 10.449 4.561 ( -0.156 -5.990 -1.863) 6.275 5.598 ( 2.845 17.633 -9.544) 20.251 5.720 ( 21.697 11.139 7.855) 25.623 5.810 ( 1.670 2.527 -1.754) 3.501 6.998 ( 2.682 8.648 10.337) 13.742 7.873 ( 2.168 -2.101 -18.772) 19.013 9.177 ( -25.183 -26.886 -0.394) 36.841 10.898 ( 6.796 2.437 -5.713) 9.207 11.441 ( -7.653 -16.383 -1.103) 18.116 11.756 ( -3.557 5.175 -2.652) 6.817 14.437 ( 1.388 2.042 -1.405) 2.841 16.030 ( -16.250 -17.200 6.222) 24.466 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 13.213 11.294 1.257) 17.427 1.635 ( 3.200 13.747 0.229) 14.117 2.021 ( 1.648 2.191 -0.080) 2.743 2.371 ( 15.778 11.526 0.872) 19.559 3.348 ( 10.051 13.513 -0.585) 16.851 4.349 ( 8.309 4.696 -1.434) 9.651 4.546 ( 4.631 0.465 -1.515) 4.894 5.745 ( -2.471 -2.041 -3.026) 4.408 5.821 ( 8.118 8.723 -6.445) 13.547 6.201 ( 13.395 12.986 9.291) 20.842 6.994 ( -13.980 -1.136 14.673) 20.298 7.734 ( -2.919 -10.098 -19.648) 22.283 8.410 ( -34.473 -23.368 -1.489) 41.673 10.966 ( 6.619 -7.216 -0.569) 9.808 11.120 ( -6.177 -22.115 -3.251) 23.190 11.732 ( -7.983 10.968 -3.002) 13.894 14.441 ( -2.675 0.497 -2.798) 3.903 15.660 ( -10.922 -13.880 7.779) 19.299 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 1.964 12.562 -0.177) 12.716 1.838 ( 11.054 10.332 1.544) 15.209 2.060 ( 0.651 2.388 -0.183) 2.481 2.682 ( 10.557 5.679 0.925) 12.024 3.524 ( -0.421 7.606 -2.002) 7.876 4.487 ( 7.998 -1.452 0.168) 8.130 4.728 ( 9.283 7.325 0.430) 11.833 5.640 ( -3.685 -5.236 0.443) 6.418 5.983 ( 6.870 -3.577 -4.002) 8.719 6.483 ( 1.587 12.951 5.731) 14.251 6.646 ( -24.314 -3.684 10.683) 26.811 7.376 ( -20.268 -23.264 -8.697) 32.057 7.680 ( -25.882 -6.143 -8.696) 27.987 10.734 ( -9.310 -21.960 -0.755) 23.863 11.083 ( 15.042 -10.916 -1.343) 18.634 11.696 ( -8.469 13.064 -1.595) 15.651 14.324 ( -8.400 -1.900 -4.165) 9.566 15.455 ( -2.470 -10.831 7.804) 13.576 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.000 15.687 2.422) 15.873 1.115 ( 0.000 19.924 -0.747) 19.938 1.568 ( 0.000 33.520 -0.578) 33.525 1.929 ( 0.000 2.722 0.530) 2.773 2.631 ( 0.000 27.005 0.368) 27.007 4.024 ( -0.000 5.714 -0.925) 5.789 4.595 ( 0.000 -7.014 3.464) 7.822 5.044 ( 0.000 14.167 8.902) 16.732 5.665 ( -0.000 12.280 -2.427) 12.517 5.846 ( -0.000 22.045 -10.791) 24.544 6.847 ( 0.000 12.425 4.633) 13.260 7.759 ( -0.000 9.905 -13.266) 16.555 9.571 ( -0.000 -32.194 1.971) 32.254 10.819 ( -0.000 21.142 -9.952) 23.367 11.642 ( 0.000 -11.631 1.466) 11.723 11.722 ( -0.000 -8.174 -0.454) 8.187 14.401 ( -0.000 1.850 -0.624) 1.952 16.366 ( -0.000 -21.452 1.635) 21.514 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 3.848 16.377 0.834) 16.843 1.402 ( 10.467 14.884 -0.117) 18.197 1.903 ( 3.691 20.901 -0.361) 21.227 1.993 ( 3.994 8.694 0.059) 9.568 2.958 ( 8.302 23.278 0.250) 24.716 4.130 ( 3.688 9.460 -0.376) 10.161 4.525 ( -2.005 -4.055 1.527) 4.775 5.416 ( 18.937 12.255 8.786) 24.207 5.759 ( 1.759 6.053 -1.654) 6.516 5.947 ( -6.780 21.128 -9.802) 24.258 7.057 ( 5.391 12.532 6.269) 15.014 7.760 ( 0.856 -6.221 -9.551) 11.430 9.159 ( -9.201 -36.058 1.368) 37.238 10.914 ( -4.457 8.543 -7.278) 12.075 11.423 ( -8.541 -15.841 0.800) 18.014 11.740 ( 6.694 -1.427 -0.756) 6.886 14.428 ( 1.371 1.320 -0.387) 1.942 16.078 ( -9.328 -20.104 1.178) 22.194 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 8.938 15.773 0.430) 18.135 1.697 ( 7.549 13.048 0.115) 15.075 2.012 ( 1.862 3.053 -0.024) 3.576 2.286 ( 9.092 16.502 -0.076) 18.841 3.329 ( 10.382 17.779 0.132) 20.588 4.293 ( 3.911 6.308 -0.455) 7.436 4.493 ( 1.754 1.864 -0.004) 2.560 5.746 ( 5.261 -0.047 2.715) 5.920 5.773 ( -0.748 2.162 -2.790) 3.608 6.183 ( 10.592 24.618 -0.616) 26.807 7.205 ( -2.823 3.762 8.724) 9.911 7.594 ( -3.182 -15.752 -10.497) 19.195 8.595 ( -17.546 -31.483 0.156) 36.043 10.825 ( -3.488 -5.229 -2.424) 6.737 11.084 ( -10.916 -19.178 -0.288) 22.069 11.847 ( 2.832 4.342 -1.307) 5.346 14.459 ( 0.794 0.349 -0.524) 1.014 15.712 ( -11.550 -17.449 1.956) 21.017 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 11.009 15.324 0.496) 18.875 1.907 ( 2.048 13.742 -0.097) 13.894 2.067 ( 1.455 2.631 -0.219) 3.014 2.569 ( 9.651 8.211 0.596) 12.685 3.606 ( 3.420 12.557 -0.640) 13.030 4.349 ( 4.110 -2.526 -0.076) 4.825 4.660 ( 8.099 9.990 -0.263) 12.863 5.649 ( -4.201 -6.575 -0.200) 7.805 5.859 ( 3.485 -0.569 -1.588) 3.872 6.576 ( 7.491 17.498 2.655) 19.218 7.029 ( -19.652 -5.094 13.599) 24.435 7.319 ( -4.786 -19.931 -14.171) 24.919 8.011 ( -22.098 -15.499 -2.011) 27.066 10.676 ( -10.568 -19.335 -2.870) 22.220 10.767 ( 5.526 -13.781 2.219) 15.012 11.896 ( -2.634 6.990 -0.716) 7.504 14.425 ( -4.898 -0.820 -1.964) 5.340 15.401 ( -5.888 -15.924 3.476) 17.330 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 17.528 0.490) 17.535 1.421 ( 0.000 12.325 -0.718) 12.346 1.985 ( 0.000 2.551 0.358) 2.576 2.142 ( 0.000 25.550 -1.241) 25.580 3.109 ( 0.000 20.560 -0.058) 20.560 4.206 ( 0.000 12.057 0.901) 12.091 4.532 ( 0.000 -1.380 3.200) 3.485 5.439 ( 0.000 19.508 8.772) 21.390 5.767 ( -0.000 0.179 -0.241) 0.300 6.180 ( -0.000 17.837 -10.923) 20.916 7.116 ( -0.000 6.814 -1.790) 7.045 7.662 ( 0.000 -10.544 3.479) 11.103 8.843 ( -0.000 -42.842 2.041) 42.890 11.051 ( -0.000 8.164 -7.380) 11.006 11.421 ( 0.000 -12.007 3.334) 12.462 11.560 ( -0.000 -7.406 -0.332) 7.413 14.417 ( 0.000 -0.828 0.602) 1.024 15.963 ( -0.000 -18.635 -2.469) 18.797 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 3.017 17.171 -0.358) 17.438 1.636 ( 10.161 9.672 -0.076) 14.028 2.019 ( 1.027 2.506 0.238) 2.719 2.381 ( 1.858 19.522 -1.174) 19.645 3.343 ( 6.766 14.781 0.466) 16.263 4.338 ( 0.355 9.741 0.760) 9.777 4.529 ( -1.167 4.890 1.864) 5.361 5.703 ( 2.647 5.220 5.611) 8.108 5.782 ( 3.213 4.803 1.767) 6.043 6.289 ( 1.482 17.032 -8.815) 19.235 7.131 ( 5.600 -10.311 -12.856) 17.405 7.560 ( -5.589 -9.510 15.249) 18.820 8.394 ( -2.785 -42.056 1.764) 42.185 10.978 ( -12.134 3.617 -3.263) 13.075 11.096 ( -13.489 -18.065 1.737) 22.612 11.715 ( 13.605 -1.430 0.495) 13.689 14.419 ( 2.034 -3.059 1.654) 4.029 15.716 ( -7.778 -15.224 -3.878) 17.530 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 0.000 7.506 -0.197) 7.509 1.647 ( 0.000 17.414 -0.976) 17.441 2.029 ( 0.000 1.737 0.129) 1.742 2.546 ( 0.000 16.754 -1.283) 16.803 3.400 ( 0.000 8.607 1.351) 8.712 4.448 ( 0.000 10.117 1.124) 10.179 4.612 ( 0.000 8.635 1.364) 8.742 5.715 ( -0.000 -4.665 0.150) 4.667 5.874 ( 0.000 17.936 8.309) 19.768 6.362 ( -0.000 7.414 -10.120) 12.545 6.853 ( -0.000 -23.325 -15.118) 27.796 7.599 ( 0.000 -7.500 19.701) 21.080 7.963 ( -0.000 -47.238 1.635) 47.267 11.013 ( -0.000 -10.701 -1.959) 10.879 11.294 ( 0.000 -0.395 4.127) 4.146 11.458 ( -0.000 -2.315 -0.242) 2.328 14.361 ( 0.000 -6.222 3.133) 6.966 15.639 ( -0.000 -10.902 -7.050) 12.983 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 0.000 -0.000 2.329) 2.329 0.273 ( 0.000 -0.000 2.329) 2.329 0.625 ( 0.000 -0.000 4.844) 4.844 1.861 ( 0.000 -0.000 0.558) 0.558 1.861 ( 0.000 -0.000 0.558) 0.558 4.030 ( -0.000 0.000 -1.492) 1.492 4.869 ( 0.000 -0.000 10.862) 10.862 4.869 ( 0.000 -0.000 10.862) 10.862 5.213 ( -0.000 0.000 -11.846) 11.846 5.213 ( -0.000 0.000 -11.846) 11.846 6.574 ( 0.000 -0.000 3.285) 3.285 6.742 ( -0.000 0.000 -3.158) 3.158 10.235 ( 0.000 -0.000 1.063) 1.063 10.235 ( 0.000 -0.000 1.063) 1.063 11.904 ( -0.000 0.000 -0.303) 0.303 11.904 ( -0.000 0.000 -0.303) 0.303 14.359 ( -0.000 0.000 -0.253) 0.253 16.911 ( -0.000 0.000 -0.282) 0.282 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 22.014 12.710 0.220) 25.420 0.726 ( 8.026 4.634 2.783) 9.676 0.848 ( 32.179 18.579 1.357) 37.182 1.883 ( 1.731 0.999 0.391) 2.037 2.118 ( 19.661 11.351 0.691) 22.713 3.993 ( -0.929 -0.537 -1.232) 1.634 4.779 ( -4.953 -2.859 3.218) 6.562 5.092 ( 5.262 3.038 -4.154) 7.360 5.194 ( 13.046 7.532 4.199) 15.639 5.396 ( 14.799 8.544 -8.702) 19.176 6.672 ( 5.011 2.893 -1.844) 6.073 7.241 ( 33.961 19.608 -6.892) 39.816 10.079 ( -14.346 -8.283 0.008) 16.566 10.384 ( 13.110 7.569 -0.597) 15.150 11.841 ( -5.263 -3.039 -0.703) 6.118 11.849 ( -4.470 -2.581 0.045) 5.162 14.369 ( 0.968 0.559 -0.327) 1.164 16.739 ( -14.353 -8.287 1.532) 16.645 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 13.096 7.561 1.524) 15.199 1.107 ( 16.960 9.792 0.038) 19.584 1.551 ( 28.790 16.622 1.056) 33.261 1.933 ( 2.429 1.402 0.160) 2.809 2.625 ( 23.220 13.406 0.917) 26.827 4.037 ( 5.586 3.225 -2.076) 6.776 4.659 ( -5.003 -2.889 -2.784) 6.413 5.238 ( 11.570 6.680 -10.649) 17.085 5.622 ( 19.347 11.170 11.624) 25.183 5.690 ( 9.647 5.569 -4.996) 12.208 6.861 ( 10.587 6.113 3.698) 12.772 7.751 ( 12.066 6.966 -12.989) 19.048 9.601 ( -27.465 -15.857 -1.009) 31.730 10.744 ( 16.337 9.432 -2.119) 18.983 11.679 ( -8.352 -4.822 -2.411) 9.940 11.715 ( -7.091 -4.094 0.313) 8.194 14.401 ( 1.893 1.093 -0.641) 2.278 16.340 ( -20.250 -11.691 4.318) 23.778 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 14.973 8.645 1.116) 17.326 1.417 ( 10.704 6.180 0.224) 12.362 1.987 ( 2.218 1.280 -0.034) 2.561 2.130 ( 22.028 12.718 1.135) 25.461 3.108 ( 18.188 10.501 0.131) 21.002 4.220 ( 10.514 6.070 -1.836) 12.279 4.564 ( -1.713 -0.989 -3.366) 3.904 5.530 ( 16.442 9.493 -10.050) 21.481 5.775 ( -0.149 -0.086 -1.966) 1.973 6.071 ( 15.765 9.102 11.672) 21.624 7.045 ( 0.135 0.078 11.448) 11.449 7.772 ( -3.059 -1.766 -17.639) 17.989 8.861 ( -37.041 -21.385 -1.657) 42.803 11.010 ( 6.701 3.869 1.176) 7.827 11.462 ( -9.482 -5.475 -5.395) 12.206 11.556 ( -6.363 -3.674 0.364) 7.356 14.428 ( -0.018 -0.011 -1.614) 1.614 15.920 ( -17.254 -9.962 6.335) 20.907 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.000 25.604 0.204) 25.605 0.721 ( 0.000 10.660 2.997) 11.073 0.868 ( 0.000 35.826 -0.400) 35.828 1.884 ( 0.000 1.925 0.360) 1.958 2.121 ( 0.000 23.017 0.332) 23.019 3.988 ( -0.000 -1.664 -0.707) 1.808 4.802 ( 0.000 -13.406 2.086) 13.568 4.896 ( 0.000 3.597 10.450) 11.052 5.311 ( 0.000 20.152 -1.399) 20.200 5.404 ( -0.000 18.277 -11.747) 21.727 6.670 ( -0.000 5.971 -1.655) 6.196 7.224 ( -0.000 37.537 -4.814) 37.845 10.065 ( -0.000 -17.342 1.379) 17.397 10.401 ( -0.000 15.931 -2.185) 16.080 11.831 ( -0.000 -6.934 0.318) 6.942 11.854 ( -0.000 -4.940 -0.407) 4.956 14.368 ( -0.000 1.103 -0.261) 1.134 16.748 ( -0.000 -15.412 0.539) 15.422 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 7.101 12.212 0.812) 14.150 1.055 ( 11.535 19.948 0.210) 23.044 1.359 ( 16.497 29.419 0.112) 33.729 1.922 ( 1.558 2.604 0.175) 3.040 2.488 ( 13.383 23.482 0.362) 27.030 4.000 ( 2.205 3.232 -0.734) 3.981 4.643 ( -2.981 -7.460 0.149) 8.035 5.263 ( 23.596 8.466 8.304) 26.408 5.378 ( -5.443 19.694 -7.506) 21.768 5.661 ( 6.373 13.357 -2.920) 15.085 6.813 ( 6.891 11.774 1.263) 13.700 7.630 ( 10.093 16.856 -6.104) 20.573 9.756 ( -13.140 -23.961 0.325) 27.329 10.637 ( 8.105 16.114 -2.367) 18.192 11.691 ( -5.936 -11.040 -0.007) 12.535 11.789 ( -1.917 -3.452 -0.252) 3.957 14.390 ( 1.030 1.771 -0.270) 2.067 16.475 ( -11.365 -18.576 1.226) 21.811 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 12.081 11.380 0.363) 16.601 1.400 ( 7.480 16.681 0.121) 18.282 1.899 ( 16.576 14.461 0.417) 22.001 1.992 ( 4.806 7.154 0.185) 8.621 2.958 ( 15.900 18.998 0.255) 24.775 4.132 ( 6.940 7.685 -0.899) 10.394 4.542 ( -1.313 -4.990 -1.924) 5.507 5.505 ( 1.146 21.008 -9.631) 23.138 5.752 ( 7.550 5.303 0.189) 9.228 5.853 ( 18.218 5.590 9.117) 21.125 7.071 ( 6.069 10.965 3.730) 13.076 7.745 ( -1.707 -2.619 -6.646) 7.345 9.171 ( -25.939 -26.469 -0.957) 37.072 10.875 ( 8.291 1.682 0.854) 8.503 11.431 ( -8.631 -15.892 -0.934) 18.109 11.741 ( -4.243 4.709 -0.777) 6.386 14.428 ( 0.864 1.886 -0.486) 2.130 16.071 ( -14.378 -17.530 2.496) 22.809 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.000 15.232 0.537) 15.241 1.109 ( 0.000 19.685 -0.419) 19.689 1.560 ( 0.000 33.309 -0.928) 33.321 1.933 ( 0.000 2.755 0.198) 2.762 2.631 ( 0.000 26.849 -0.324) 26.851 4.023 ( 0.000 6.077 0.673) 6.114 4.629 ( 0.000 -6.721 3.442) 7.551 5.136 ( 0.000 13.646 10.280) 17.085 5.659 ( 0.000 12.075 1.328) 12.148 5.737 ( -0.000 22.328 -11.839) 25.273 6.875 ( 0.000 14.336 0.839) 14.361 7.690 ( 0.000 10.822 -0.523) 10.835 9.588 ( -0.000 -31.998 1.621) 32.039 10.753 ( -0.000 19.153 -3.863) 19.538 11.658 ( 0.000 -10.793 1.886) 10.956 11.718 ( -0.000 -8.155 -0.421) 8.166 14.398 ( 0.000 1.920 -0.018) 1.920 16.367 ( -0.000 -22.036 -1.370) 22.078 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( 0.000 -0.000 0.804) 0.804 0.288 ( 0.000 -0.000 0.804) 0.804 0.656 ( 0.000 -0.000 1.660) 1.660 1.864 ( 0.000 -0.000 0.194) 0.194 1.864 ( 0.000 -0.000 0.194) 0.194 4.020 ( -0.000 0.000 -0.531) 0.531 4.976 ( 0.000 -0.000 11.028) 11.028 4.976 ( 0.000 -0.000 11.028) 11.028 5.099 ( -0.000 0.000 -11.375) 11.375 5.099 ( -0.000 0.000 -11.375) 11.375 6.599 ( 0.000 -0.000 1.587) 1.587 6.718 ( -0.000 0.000 -1.545) 1.545 10.242 ( 0.000 -0.000 0.375) 0.375 10.242 ( 0.000 -0.000 0.375) 0.375 11.902 ( -0.000 0.000 -0.108) 0.108 11.902 ( -0.000 0.000 -0.108) 0.108 14.358 ( -0.000 0.000 -0.089) 0.089 16.909 ( -0.000 0.000 -0.100) 0.100 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 21.881 12.633 0.012) 25.266 0.738 ( 8.535 4.928 -0.298) 9.860 0.860 ( 31.416 18.138 1.137) 36.294 1.885 ( 1.696 0.979 0.015) 1.958 2.122 ( 19.866 11.470 0.184) 22.940 3.986 ( -1.302 -0.752 -0.255) 1.525 4.804 ( -9.154 -5.285 1.595) 10.690 5.001 ( 2.832 1.635 -11.096) 11.568 5.289 ( 15.817 9.132 11.827) 21.758 5.329 ( 16.572 9.568 -4.850) 19.741 6.662 ( 5.755 3.323 -0.104) 6.646 7.205 ( 30.828 17.799 -0.816) 35.607 10.076 ( -14.704 -8.489 -0.748) 16.995 10.386 ( 12.568 7.256 0.924) 14.542 11.836 ( -5.639 -3.256 -0.534) 6.534 11.850 ( -4.360 -2.517 0.249) 5.041 14.367 ( 0.909 0.525 -0.034) 1.050 16.749 ( -13.419 -7.748 0.456) 15.502 =================== 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 10.0 214.453 214.453 11.529 0.000 -0.000 -0.000 3/60750 20.0 165.092 165.092 5.478 0.000 -0.000 -0.000 3/60750 30.0 89.167 89.167 2.878 0.000 -0.000 -0.000 3/60750 40.0 52.563 52.563 1.788 0.000 -0.000 -0.000 3/60750 50.0 34.587 34.587 1.272 0.000 -0.000 -0.000 3/60750 60.0 24.872 24.872 1.000 0.000 -0.000 -0.000 3/60750 70.0 19.124 19.124 0.843 0.000 -0.000 -0.000 3/60750 80.0 15.448 15.448 0.744 0.000 -0.000 -0.000 3/60750 90.0 12.943 12.943 0.678 0.000 -0.000 -0.000 3/60750 100.0 11.144 11.144 0.631 0.000 -0.000 -0.000 3/60750 110.0 9.797 9.797 0.596 0.000 -0.000 -0.000 3/60750 120.0 8.752 8.752 0.568 0.000 -0.000 -0.000 3/60750 130.0 7.920 7.920 0.546 0.000 -0.000 -0.000 3/60750 140.0 7.240 7.240 0.528 0.000 -0.000 -0.000 3/60750 150.0 6.674 6.674 0.512 0.000 -0.000 -0.000 3/60750 160.0 6.196 6.196 0.497 0.000 -0.000 -0.000 3/60750 170.0 5.785 5.785 0.484 0.000 -0.000 -0.000 3/60750 180.0 5.429 5.429 0.472 0.000 -0.000 -0.000 3/60750 190.0 5.116 5.116 0.460 0.000 -0.000 -0.000 3/60750 200.0 4.839 4.839 0.449 0.000 -0.000 -0.000 3/60750 210.0 4.592 4.592 0.438 0.000 -0.000 -0.000 3/60750 220.0 4.370 4.370 0.428 0.000 -0.000 -0.000 3/60750 230.0 4.170 4.170 0.418 0.000 -0.000 -0.000 3/60750 240.0 3.987 3.987 0.408 0.000 -0.000 -0.000 3/60750 250.0 3.821 3.821 0.398 0.000 -0.000 -0.000 3/60750 260.0 3.668 3.668 0.389 0.000 -0.000 -0.000 3/60750 270.0 3.528 3.528 0.380 0.000 -0.000 -0.000 3/60750 280.0 3.398 3.398 0.372 0.000 -0.000 -0.000 3/60750 290.0 3.278 3.278 0.364 0.000 -0.000 -0.000 3/60750 300.0 3.166 3.166 0.356 0.000 -0.000 -0.000 3/60750 310.0 3.061 3.061 0.348 0.000 -0.000 -0.000 3/60750 320.0 2.964 2.964 0.340 0.000 -0.000 -0.000 3/60750 330.0 2.872 2.872 0.333 0.000 -0.000 -0.000 3/60750 340.0 2.786 2.786 0.326 0.000 -0.000 -0.000 3/60750 350.0 2.705 2.705 0.319 0.000 -0.000 -0.000 3/60750 360.0 2.629 2.629 0.313 0.000 -0.000 -0.000 3/60750 370.0 2.557 2.557 0.306 0.000 -0.000 -0.000 3/60750 380.0 2.489 2.489 0.300 0.000 -0.000 -0.000 3/60750 390.0 2.425 2.425 0.294 0.000 -0.000 -0.000 3/60750 400.0 2.363 2.363 0.288 0.000 -0.000 -0.000 3/60750 410.0 2.305 2.305 0.283 0.000 -0.000 -0.000 3/60750 420.0 2.250 2.250 0.277 0.000 -0.000 -0.000 3/60750 430.0 2.197 2.197 0.272 0.000 -0.000 -0.000 3/60750 440.0 2.147 2.147 0.267 0.000 -0.000 -0.000 3/60750 450.0 2.099 2.099 0.262 0.000 -0.000 -0.000 3/60750 460.0 2.053 2.053 0.258 0.000 -0.000 -0.000 3/60750 470.0 2.009 2.009 0.253 0.000 -0.000 -0.000 3/60750 480.0 1.967 1.967 0.249 0.000 -0.000 -0.000 3/60750 490.0 1.927 1.927 0.244 0.000 -0.000 -0.000 3/60750 500.0 1.888 1.888 0.240 0.000 -0.000 -0.000 3/60750 510.0 1.851 1.851 0.236 0.000 -0.000 -0.000 3/60750 520.0 1.815 1.815 0.232 0.000 -0.000 -0.000 3/60750 530.0 1.780 1.780 0.228 0.000 -0.000 -0.000 3/60750 540.0 1.747 1.747 0.225 0.000 -0.000 -0.000 3/60750 550.0 1.715 1.715 0.221 0.000 -0.000 -0.000 3/60750 560.0 1.685 1.685 0.218 0.000 -0.000 -0.000 3/60750 570.0 1.655 1.655 0.214 0.000 -0.000 -0.000 3/60750 580.0 1.626 1.626 0.211 0.000 -0.000 -0.000 3/60750 590.0 1.599 1.599 0.208 0.000 -0.000 -0.000 3/60750 600.0 1.572 1.572 0.205 0.000 -0.000 -0.000 3/60750 610.0 1.546 1.546 0.202 0.000 -0.000 -0.000 3/60750 620.0 1.521 1.521 0.199 0.000 -0.000 -0.000 3/60750 630.0 1.497 1.497 0.196 0.000 -0.000 -0.000 3/60750 640.0 1.474 1.474 0.193 0.000 -0.000 -0.000 3/60750 650.0 1.451 1.451 0.191 0.000 -0.000 -0.000 3/60750 660.0 1.429 1.429 0.188 0.000 -0.000 -0.000 3/60750 670.0 1.407 1.407 0.185 0.000 -0.000 -0.000 3/60750 680.0 1.387 1.387 0.183 0.000 -0.000 -0.000 3/60750 690.0 1.367 1.367 0.180 0.000 -0.000 -0.000 3/60750 700.0 1.347 1.347 0.178 0.000 -0.000 -0.000 3/60750 710.0 1.328 1.328 0.176 0.000 -0.000 -0.000 3/60750 720.0 1.310 1.310 0.174 0.000 -0.000 -0.000 3/60750 730.0 1.292 1.292 0.171 0.000 -0.000 -0.000 3/60750 740.0 1.274 1.274 0.169 0.000 -0.000 -0.000 3/60750 750.0 1.257 1.257 0.167 0.000 -0.000 -0.000 3/60750 760.0 1.241 1.241 0.165 0.000 -0.000 -0.000 3/60750 770.0 1.224 1.224 0.163 0.000 -0.000 -0.000 3/60750 780.0 1.209 1.209 0.161 0.000 -0.000 -0.000 3/60750 790.0 1.193 1.193 0.159 0.000 -0.000 -0.000 3/60750 800.0 1.178 1.178 0.157 0.000 -0.000 -0.000 3/60750 810.0 1.164 1.164 0.156 0.000 -0.000 -0.000 3/60750 820.0 1.150 1.150 0.154 0.000 -0.000 -0.000 3/60750 830.0 1.136 1.136 0.152 0.000 -0.000 -0.000 3/60750 840.0 1.122 1.122 0.150 0.000 -0.000 -0.000 3/60750 850.0 1.109 1.109 0.149 0.000 -0.000 -0.000 3/60750 860.0 1.096 1.096 0.147 0.000 -0.000 -0.000 3/60750 870.0 1.084 1.084 0.145 0.000 -0.000 -0.000 3/60750 880.0 1.071 1.071 0.144 0.000 -0.000 -0.000 3/60750 890.0 1.059 1.059 0.142 0.000 -0.000 -0.000 3/60750 900.0 1.047 1.047 0.141 0.000 -0.000 -0.000 3/60750 910.0 1.036 1.036 0.139 0.000 -0.000 -0.000 3/60750 920.0 1.025 1.025 0.138 0.000 -0.000 -0.000 3/60750 930.0 1.014 1.014 0.136 0.000 -0.000 -0.000 3/60750 940.0 1.003 1.003 0.135 0.000 -0.000 -0.000 3/60750 950.0 0.992 0.992 0.134 0.000 -0.000 -0.000 3/60750 960.0 0.982 0.982 0.132 0.000 -0.000 -0.000 3/60750 970.0 0.972 0.972 0.131 0.000 -0.000 -0.000 3/60750 980.0 0.962 0.962 0.130 0.000 -0.000 -0.000 3/60750 990.0 0.952 0.952 0.129 0.000 -0.000 -0.000 3/60750 1000.0 0.943 0.943 0.127 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 23:01:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|