----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:16:49]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.856679171574447 0.000000000000000 0.000000000000000 b -2.428339585787223 4.206007540614233 0.000000000000000 c 0.000000000000000 0.000000000000000 5.071628820000000 Atomic positions (fractional): *1 O 0.37651881379432 0.00000000000000 0.29526658256625 15.999 2 O 0.62348118620568 0.62348118620568 0.29526658256625 15.999 3 O 0.00000000000000 0.37651881379432 0.29526658256625 15.999 4 O 0.37651881379432 0.37651881379432 0.70473341743375 15.999 5 O 0.00000000000000 0.62348118620568 0.70473341743375 15.999 6 O 0.62348118620568 0.00000000000000 0.70473341743375 15.999 *7 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 *8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 9 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.856679171574447 0.000000000000000 0.000000000000000 b -2.428339585787223 4.206007540614233 0.000000000000000 c 0.000000000000000 0.000000000000000 5.071628820000000 Atomic positions (fractional): *1 O 0.37651881379432 0.00000000000000 0.29526658256625 15.999 > 1 2 O 0.62348118620568 0.62348118620568 0.29526658256625 15.999 > 2 3 O 0.00000000000000 0.37651881379432 0.29526658256625 15.999 > 3 4 O 0.37651881379432 0.37651881379432 0.70473341743375 15.999 > 4 5 O 0.00000000000000 0.62348118620568 0.70473341743375 15.999 > 5 6 O 0.62348118620568 0.00000000000000 0.70473341743375 15.999 > 6 *7 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 7 *8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 > 8 9 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.713358343148894 0.000000000000000 0.000000000000000 b -4.856679171574446 8.412015081228466 0.000000000000000 c 0.000000000000000 0.000000000000000 10.143257640000000 Atomic positions (fractional): *1 O 0.18825940689716 0.00000000000000 0.14763329128312 15.999 > 1 2 O 0.68825940689716 0.00000000000000 0.14763329128312 15.999 > 1 3 O 0.18825940689716 0.50000000000000 0.14763329128312 15.999 > 1 4 O 0.68825940689716 0.50000000000000 0.14763329128312 15.999 > 1 5 O 0.18825940689716 0.00000000000000 0.64763329128312 15.999 > 1 6 O 0.68825940689716 0.00000000000000 0.64763329128312 15.999 > 1 7 O 0.18825940689716 0.50000000000000 0.64763329128312 15.999 > 1 8 O 0.68825940689716 0.50000000000000 0.64763329128312 15.999 > 1 9 O 0.31174059310284 0.31174059310284 0.14763329128312 15.999 > 2 10 O 0.81174059310284 0.31174059310284 0.14763329128312 15.999 > 2 11 O 0.31174059310284 0.81174059310284 0.14763329128312 15.999 > 2 12 O 0.81174059310284 0.81174059310284 0.14763329128312 15.999 > 2 13 O 0.31174059310284 0.31174059310284 0.64763329128312 15.999 > 2 14 O 0.81174059310284 0.31174059310284 0.64763329128312 15.999 > 2 15 O 0.31174059310284 0.81174059310284 0.64763329128312 15.999 > 2 16 O 0.81174059310284 0.81174059310284 0.64763329128312 15.999 > 2 17 O 0.00000000000000 0.18825940689716 0.14763329128312 15.999 > 3 18 O 0.50000000000000 0.18825940689716 0.14763329128312 15.999 > 3 19 O 0.00000000000000 0.68825940689716 0.14763329128312 15.999 > 3 20 O 0.50000000000000 0.68825940689716 0.14763329128312 15.999 > 3 21 O 0.00000000000000 0.18825940689716 0.64763329128312 15.999 > 3 22 O 0.50000000000000 0.18825940689716 0.64763329128312 15.999 > 3 23 O 0.00000000000000 0.68825940689716 0.64763329128312 15.999 > 3 24 O 0.50000000000000 0.68825940689716 0.64763329128312 15.999 > 3 25 O 0.18825940689716 0.18825940689716 0.35236670871688 15.999 > 4 26 O 0.68825940689716 0.18825940689716 0.35236670871688 15.999 > 4 27 O 0.18825940689716 0.68825940689716 0.35236670871688 15.999 > 4 28 O 0.68825940689716 0.68825940689716 0.35236670871688 15.999 > 4 29 O 0.18825940689716 0.18825940689716 0.85236670871688 15.999 > 4 30 O 0.68825940689716 0.18825940689716 0.85236670871688 15.999 > 4 31 O 0.18825940689716 0.68825940689716 0.85236670871688 15.999 > 4 32 O 0.68825940689716 0.68825940689716 0.85236670871688 15.999 > 4 33 O 0.00000000000000 0.31174059310284 0.35236670871688 15.999 > 5 34 O 0.50000000000000 0.31174059310284 0.35236670871688 15.999 > 5 35 O 0.00000000000000 0.81174059310284 0.35236670871688 15.999 > 5 36 O 0.50000000000000 0.81174059310284 0.35236670871688 15.999 > 5 37 O 0.00000000000000 0.31174059310284 0.85236670871688 15.999 > 5 38 O 0.50000000000000 0.31174059310284 0.85236670871688 15.999 > 5 39 O 0.00000000000000 0.81174059310284 0.85236670871688 15.999 > 5 40 O 0.50000000000000 0.81174059310284 0.85236670871688 15.999 > 5 41 O 0.31174059310284 0.00000000000000 0.35236670871688 15.999 > 6 42 O 0.81174059310284 0.00000000000000 0.35236670871688 15.999 > 6 43 O 0.31174059310284 0.50000000000000 0.35236670871688 15.999 > 6 44 O 0.81174059310284 0.50000000000000 0.35236670871688 15.999 > 6 45 O 0.31174059310284 0.00000000000000 0.85236670871688 15.999 > 6 46 O 0.81174059310284 0.00000000000000 0.85236670871688 15.999 > 6 47 O 0.31174059310284 0.50000000000000 0.85236670871688 15.999 > 6 48 O 0.81174059310284 0.50000000000000 0.85236670871688 15.999 > 6 *49 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 7 50 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 7 51 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 7 52 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 7 53 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 7 54 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 7 55 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 7 56 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 7 *57 As 0.16666666666667 0.33333333333333 0.25000000000000 74.922 > 8 58 As 0.66666666666667 0.33333333333333 0.25000000000000 74.922 > 8 59 As 0.16666666666667 0.83333333333333 0.25000000000000 74.922 > 8 60 As 0.66666666666667 0.83333333333333 0.25000000000000 74.922 > 8 61 As 0.16666666666667 0.33333333333333 0.75000000000000 74.922 > 8 62 As 0.66666666666667 0.33333333333333 0.75000000000000 74.922 > 8 63 As 0.16666666666667 0.83333333333333 0.75000000000000 74.922 > 8 64 As 0.66666666666667 0.83333333333333 0.75000000000000 74.922 > 8 65 As 0.33333333333333 0.16666666666667 0.25000000000000 74.922 > 9 66 As 0.83333333333333 0.16666666666667 0.25000000000000 74.922 > 9 67 As 0.33333333333333 0.66666666666667 0.25000000000000 74.922 > 9 68 As 0.83333333333333 0.66666666666667 0.25000000000000 74.922 > 9 69 As 0.33333333333333 0.16666666666667 0.75000000000000 74.922 > 9 70 As 0.83333333333333 0.16666666666667 0.75000000000000 74.922 > 9 71 As 0.33333333333333 0.66666666666667 0.75000000000000 74.922 > 9 72 As 0.83333333333333 0.66666666666667 0.75000000000000 74.922 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8479692 0.0000000 0.0000000 0.0000000 3.8479692 0.0000000 0.0000000 0.0000000 3.1367517 -------------------------- Born effective charges -------------------------- 1 O -1.6409657 -0.0000000 -0.3443216 -0.0000000 -2.4091747 0.0000000 -0.4320916 -0.0000000 -1.4655122 2 O -2.2171225 0.3326443 0.1721608 0.3326443 -1.8330180 0.2981913 0.2160458 0.3742023 -1.4655122 3 O -2.2171225 -0.3326443 0.1721608 -0.3326443 -1.8330180 -0.2981913 0.2160458 -0.3742023 -1.4655122 4 O -2.2171225 0.3326443 0.1721608 0.3326443 -1.8330180 0.2981913 0.2160458 0.3742023 -1.4655122 5 O -2.2171225 -0.3326443 0.1721608 -0.3326443 -1.8330180 -0.2981913 0.2160458 -0.3742023 -1.4655122 6 O -1.6409657 -0.0000000 -0.3443216 -0.0000000 -2.4091747 0.0000000 -0.4320916 -0.0000000 -1.4655122 7 Ca 2.4229620 0.0000000 0.0000000 -0.0000000 2.4229620 0.0000000 0.0000000 -0.0000000 3.2218938 8 As 4.8637297 0.0000000 0.0000000 -0.0000000 4.8637297 0.0000000 0.0000000 -0.0000000 2.7855897 9 As 4.8637297 0.0000000 0.0000000 -0.0000000 4.8637297 0.0000000 0.0000000 -0.0000000 2.7855897 ---------------------------------------------------------------------------- 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: 3186/3186 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 298 Number of blocks in projector: 186 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 52 Use standard eigh solver. Tree of FC basis block matrices: - (298, 289), data: False |-- (52, 49), data: True |-- (106, 104), data: True |-- (140, 136), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.137 Solver_block: 160 / 160 - Time: 0.096 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.238 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 216/216 Permutation basis: 3186/3186 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 298 Number of blocks in projector: 186 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 52 Use standard eigh solver. Tree of FC basis block matrices: - (298, 289), data: False |-- (52, 49), data: True |-- (106, 104), data: True |-- (140, 136), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:16:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:16:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.856679171574447 0.000000000000000 0.000000000000000 b -2.428339585787223 4.206007540614233 0.000000000000000 c 0.000000000000000 0.000000000000000 5.071628820000000 Atomic positions (fractional): 1 O 0.37651881379432 0.00000000000000 0.29526658256625 15.999 2 O 0.62348118620568 0.62348118620568 0.29526658256625 15.999 3 O 0.00000000000000 0.37651881379432 0.29526658256625 15.999 4 O 0.37651881379432 0.37651881379432 0.70473341743375 15.999 5 O 0.00000000000000 0.62348118620568 0.70473341743375 15.999 6 O 0.62348118620568 0.00000000000000 0.70473341743375 15.999 7 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 9 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.713358343148894 0.000000000000000 0.000000000000000 b -4.856679171574446 8.412015081228466 0.000000000000000 c 0.000000000000000 0.000000000000000 10.143257640000000 Atomic positions (fractional): 1 O 0.18825940689716 0.00000000000000 0.14763329128312 15.999 > 1 2 O 0.68825940689716 0.00000000000000 0.14763329128312 15.999 > 1 3 O 0.18825940689716 0.50000000000000 0.14763329128312 15.999 > 1 4 O 0.68825940689716 0.50000000000000 0.14763329128312 15.999 > 1 5 O 0.18825940689716 0.00000000000000 0.64763329128312 15.999 > 1 6 O 0.68825940689716 0.00000000000000 0.64763329128312 15.999 > 1 7 O 0.18825940689716 0.50000000000000 0.64763329128312 15.999 > 1 8 O 0.68825940689716 0.50000000000000 0.64763329128312 15.999 > 1 9 O 0.31174059310284 0.31174059310284 0.14763329128312 15.999 > 9 10 O 0.81174059310284 0.31174059310284 0.14763329128312 15.999 > 9 11 O 0.31174059310284 0.81174059310284 0.14763329128312 15.999 > 9 12 O 0.81174059310284 0.81174059310284 0.14763329128312 15.999 > 9 13 O 0.31174059310284 0.31174059310284 0.64763329128312 15.999 > 9 14 O 0.81174059310284 0.31174059310284 0.64763329128312 15.999 > 9 15 O 0.31174059310284 0.81174059310284 0.64763329128312 15.999 > 9 16 O 0.81174059310284 0.81174059310284 0.64763329128312 15.999 > 9 17 O 0.00000000000000 0.18825940689716 0.14763329128312 15.999 > 17 18 O 0.50000000000000 0.18825940689716 0.14763329128312 15.999 > 17 19 O 0.00000000000000 0.68825940689716 0.14763329128312 15.999 > 17 20 O 0.50000000000000 0.68825940689716 0.14763329128312 15.999 > 17 21 O 0.00000000000000 0.18825940689716 0.64763329128312 15.999 > 17 22 O 0.50000000000000 0.18825940689716 0.64763329128312 15.999 > 17 23 O 0.00000000000000 0.68825940689716 0.64763329128312 15.999 > 17 24 O 0.50000000000000 0.68825940689716 0.64763329128312 15.999 > 17 25 O 0.18825940689716 0.18825940689716 0.35236670871688 15.999 > 25 26 O 0.68825940689716 0.18825940689716 0.35236670871688 15.999 > 25 27 O 0.18825940689716 0.68825940689716 0.35236670871688 15.999 > 25 28 O 0.68825940689716 0.68825940689716 0.35236670871688 15.999 > 25 29 O 0.18825940689716 0.18825940689716 0.85236670871688 15.999 > 25 30 O 0.68825940689716 0.18825940689716 0.85236670871688 15.999 > 25 31 O 0.18825940689716 0.68825940689716 0.85236670871688 15.999 > 25 32 O 0.68825940689716 0.68825940689716 0.85236670871688 15.999 > 25 33 O 0.00000000000000 0.31174059310284 0.35236670871688 15.999 > 33 34 O 0.50000000000000 0.31174059310284 0.35236670871688 15.999 > 33 35 O 0.00000000000000 0.81174059310284 0.35236670871688 15.999 > 33 36 O 0.50000000000000 0.81174059310284 0.35236670871688 15.999 > 33 37 O 0.00000000000000 0.31174059310284 0.85236670871688 15.999 > 33 38 O 0.50000000000000 0.31174059310284 0.85236670871688 15.999 > 33 39 O 0.00000000000000 0.81174059310284 0.85236670871688 15.999 > 33 40 O 0.50000000000000 0.81174059310284 0.85236670871688 15.999 > 33 41 O 0.31174059310284 0.00000000000000 0.35236670871688 15.999 > 41 42 O 0.81174059310284 0.00000000000000 0.35236670871688 15.999 > 41 43 O 0.31174059310284 0.50000000000000 0.35236670871688 15.999 > 41 44 O 0.81174059310284 0.50000000000000 0.35236670871688 15.999 > 41 45 O 0.31174059310284 0.00000000000000 0.85236670871688 15.999 > 41 46 O 0.81174059310284 0.00000000000000 0.85236670871688 15.999 > 41 47 O 0.31174059310284 0.50000000000000 0.85236670871688 15.999 > 41 48 O 0.81174059310284 0.50000000000000 0.85236670871688 15.999 > 41 49 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 49 50 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 49 51 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 49 52 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 49 53 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 49 54 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 49 55 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 49 56 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 49 57 As 0.16666666666667 0.33333333333333 0.25000000000000 74.922 > 57 58 As 0.66666666666667 0.33333333333333 0.25000000000000 74.922 > 57 59 As 0.16666666666667 0.83333333333333 0.25000000000000 74.922 > 57 60 As 0.66666666666667 0.83333333333333 0.25000000000000 74.922 > 57 61 As 0.16666666666667 0.33333333333333 0.75000000000000 74.922 > 57 62 As 0.66666666666667 0.33333333333333 0.75000000000000 74.922 > 57 63 As 0.16666666666667 0.83333333333333 0.75000000000000 74.922 > 57 64 As 0.66666666666667 0.83333333333333 0.75000000000000 74.922 > 57 65 As 0.33333333333333 0.16666666666667 0.25000000000000 74.922 > 65 66 As 0.83333333333333 0.16666666666667 0.25000000000000 74.922 > 65 67 As 0.33333333333333 0.66666666666667 0.25000000000000 74.922 > 65 68 As 0.83333333333333 0.66666666666667 0.25000000000000 74.922 > 65 69 As 0.33333333333333 0.16666666666667 0.75000000000000 74.922 > 65 70 As 0.83333333333333 0.16666666666667 0.75000000000000 74.922 > 65 71 As 0.33333333333333 0.66666666666667 0.75000000000000 74.922 > 65 72 As 0.83333333333333 0.66666666666667 0.75000000000000 74.922 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8479692 0.0000000 0.0000000 0.0000000 3.8479692 0.0000000 0.0000000 0.0000000 3.1367517 -------------------------- Born effective charges -------------------------- 1 O -1.6409657 -0.0000000 -0.3443216 -0.0000000 -2.4091747 0.0000000 -0.4320916 -0.0000000 -1.4655122 2 O -2.2171225 0.3326443 0.1721608 0.3326443 -1.8330180 0.2981913 0.2160458 0.3742023 -1.4655122 3 O -2.2171225 -0.3326443 0.1721608 -0.3326443 -1.8330180 -0.2981913 0.2160458 -0.3742023 -1.4655122 4 O -2.2171225 0.3326443 0.1721608 0.3326443 -1.8330180 0.2981913 0.2160458 0.3742023 -1.4655122 5 O -2.2171225 -0.3326443 0.1721608 -0.3326443 -1.8330180 -0.2981913 0.2160458 -0.3742023 -1.4655122 6 O -1.6409657 -0.0000000 -0.3443216 -0.0000000 -2.4091747 0.0000000 -0.4320916 -0.0000000 -1.4655122 7 Ca 2.4229620 0.0000000 0.0000000 -0.0000000 2.4229620 0.0000000 0.0000000 -0.0000000 3.2218938 8 As 4.8637297 0.0000000 0.0000000 -0.0000000 4.8637297 0.0000000 0.0000000 -0.0000000 2.7855897 9 As 4.8637297 0.0000000 0.0000000 -0.0000000 4.8637297 0.0000000 0.0000000 -0.0000000 2.7855897 ---------------------------------------------------------------------------- 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, 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: -0.00000171 (yxz) -0.00000171 (yxz) -0.00000171 (yzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000133 (zx) 0.00000133 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:16:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:16:58]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.856679171574447 0.000000000000000 0.000000000000000 b -2.428339585787223 4.206007540614233 0.000000000000000 c 0.000000000000000 0.000000000000000 5.071628820000000 Atomic positions (fractional): 1 O 0.37651881379432 0.00000000000000 0.29526658256625 15.999 2 O 0.62348118620568 0.62348118620568 0.29526658256625 15.999 3 O 0.00000000000000 0.37651881379432 0.29526658256625 15.999 4 O 0.37651881379432 0.37651881379432 0.70473341743375 15.999 5 O 0.00000000000000 0.62348118620568 0.70473341743375 15.999 6 O 0.62348118620568 0.00000000000000 0.70473341743375 15.999 7 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 9 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.713358343148894 0.000000000000000 0.000000000000000 b -4.856679171574446 8.412015081228466 0.000000000000000 c 0.000000000000000 0.000000000000000 10.143257640000000 Atomic positions (fractional): 1 O 0.18825940689716 0.00000000000000 0.14763329128312 15.999 > 1 2 O 0.68825940689716 0.00000000000000 0.14763329128312 15.999 > 1 3 O 0.18825940689716 0.50000000000000 0.14763329128312 15.999 > 1 4 O 0.68825940689716 0.50000000000000 0.14763329128312 15.999 > 1 5 O 0.18825940689716 0.00000000000000 0.64763329128312 15.999 > 1 6 O 0.68825940689716 0.00000000000000 0.64763329128312 15.999 > 1 7 O 0.18825940689716 0.50000000000000 0.64763329128312 15.999 > 1 8 O 0.68825940689716 0.50000000000000 0.64763329128312 15.999 > 1 9 O 0.31174059310284 0.31174059310284 0.14763329128312 15.999 > 9 10 O 0.81174059310284 0.31174059310284 0.14763329128312 15.999 > 9 11 O 0.31174059310284 0.81174059310284 0.14763329128312 15.999 > 9 12 O 0.81174059310284 0.81174059310284 0.14763329128312 15.999 > 9 13 O 0.31174059310284 0.31174059310284 0.64763329128312 15.999 > 9 14 O 0.81174059310284 0.31174059310284 0.64763329128312 15.999 > 9 15 O 0.31174059310284 0.81174059310284 0.64763329128312 15.999 > 9 16 O 0.81174059310284 0.81174059310284 0.64763329128312 15.999 > 9 17 O 0.00000000000000 0.18825940689716 0.14763329128312 15.999 > 17 18 O 0.50000000000000 0.18825940689716 0.14763329128312 15.999 > 17 19 O 0.00000000000000 0.68825940689716 0.14763329128312 15.999 > 17 20 O 0.50000000000000 0.68825940689716 0.14763329128312 15.999 > 17 21 O 0.00000000000000 0.18825940689716 0.64763329128312 15.999 > 17 22 O 0.50000000000000 0.18825940689716 0.64763329128312 15.999 > 17 23 O 0.00000000000000 0.68825940689716 0.64763329128312 15.999 > 17 24 O 0.50000000000000 0.68825940689716 0.64763329128312 15.999 > 17 25 O 0.18825940689716 0.18825940689716 0.35236670871688 15.999 > 25 26 O 0.68825940689716 0.18825940689716 0.35236670871688 15.999 > 25 27 O 0.18825940689716 0.68825940689716 0.35236670871688 15.999 > 25 28 O 0.68825940689716 0.68825940689716 0.35236670871688 15.999 > 25 29 O 0.18825940689716 0.18825940689716 0.85236670871688 15.999 > 25 30 O 0.68825940689716 0.18825940689716 0.85236670871688 15.999 > 25 31 O 0.18825940689716 0.68825940689716 0.85236670871688 15.999 > 25 32 O 0.68825940689716 0.68825940689716 0.85236670871688 15.999 > 25 33 O 0.00000000000000 0.31174059310284 0.35236670871688 15.999 > 33 34 O 0.50000000000000 0.31174059310284 0.35236670871688 15.999 > 33 35 O 0.00000000000000 0.81174059310284 0.35236670871688 15.999 > 33 36 O 0.50000000000000 0.81174059310284 0.35236670871688 15.999 > 33 37 O 0.00000000000000 0.31174059310284 0.85236670871688 15.999 > 33 38 O 0.50000000000000 0.31174059310284 0.85236670871688 15.999 > 33 39 O 0.00000000000000 0.81174059310284 0.85236670871688 15.999 > 33 40 O 0.50000000000000 0.81174059310284 0.85236670871688 15.999 > 33 41 O 0.31174059310284 0.00000000000000 0.35236670871688 15.999 > 41 42 O 0.81174059310284 0.00000000000000 0.35236670871688 15.999 > 41 43 O 0.31174059310284 0.50000000000000 0.35236670871688 15.999 > 41 44 O 0.81174059310284 0.50000000000000 0.35236670871688 15.999 > 41 45 O 0.31174059310284 0.00000000000000 0.85236670871688 15.999 > 41 46 O 0.81174059310284 0.00000000000000 0.85236670871688 15.999 > 41 47 O 0.31174059310284 0.50000000000000 0.85236670871688 15.999 > 41 48 O 0.81174059310284 0.50000000000000 0.85236670871688 15.999 > 41 49 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 49 50 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 49 51 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 49 52 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 49 53 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 49 54 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 49 55 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 49 56 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 49 57 As 0.16666666666667 0.33333333333333 0.25000000000000 74.922 > 57 58 As 0.66666666666667 0.33333333333333 0.25000000000000 74.922 > 57 59 As 0.16666666666667 0.83333333333333 0.25000000000000 74.922 > 57 60 As 0.66666666666667 0.83333333333333 0.25000000000000 74.922 > 57 61 As 0.16666666666667 0.33333333333333 0.75000000000000 74.922 > 57 62 As 0.66666666666667 0.33333333333333 0.75000000000000 74.922 > 57 63 As 0.16666666666667 0.83333333333333 0.75000000000000 74.922 > 57 64 As 0.66666666666667 0.83333333333333 0.75000000000000 74.922 > 57 65 As 0.33333333333333 0.16666666666667 0.25000000000000 74.922 > 65 66 As 0.83333333333333 0.16666666666667 0.25000000000000 74.922 > 65 67 As 0.33333333333333 0.66666666666667 0.25000000000000 74.922 > 65 68 As 0.83333333333333 0.66666666666667 0.25000000000000 74.922 > 65 69 As 0.33333333333333 0.16666666666667 0.75000000000000 74.922 > 65 70 As 0.83333333333333 0.16666666666667 0.75000000000000 74.922 > 65 71 As 0.33333333333333 0.66666666666667 0.75000000000000 74.922 > 65 72 As 0.83333333333333 0.66666666666667 0.75000000000000 74.922 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8479692 0.0000000 0.0000000 0.0000000 3.8479692 0.0000000 0.0000000 0.0000000 3.1367517 -------------------------- Born effective charges -------------------------- 1 O -1.6409657 -0.0000000 -0.3443216 -0.0000000 -2.4091747 0.0000000 -0.4320916 -0.0000000 -1.4655122 2 O -2.2171225 0.3326443 0.1721608 0.3326443 -1.8330180 0.2981913 0.2160458 0.3742023 -1.4655122 3 O -2.2171225 -0.3326443 0.1721608 -0.3326443 -1.8330180 -0.2981913 0.2160458 -0.3742023 -1.4655122 4 O -2.2171225 0.3326443 0.1721608 0.3326443 -1.8330180 0.2981913 0.2160458 0.3742023 -1.4655122 5 O -2.2171225 -0.3326443 0.1721608 -0.3326443 -1.8330180 -0.2981913 0.2160458 -0.3742023 -1.4655122 6 O -1.6409657 -0.0000000 -0.3443216 -0.0000000 -2.4091747 0.0000000 -0.4320916 -0.0000000 -1.4655122 7 Ca 2.4229620 0.0000000 0.0000000 -0.0000000 2.4229620 0.0000000 0.0000000 -0.0000000 3.2218938 8 As 4.8637297 0.0000000 0.0000000 -0.0000000 4.8637297 0.0000000 0.0000000 -0.0000000 2.7855897 9 As 4.8637297 0.0000000 0.0000000 -0.0000000 4.8637297 0.0000000 0.0000000 -0.0000000 2.7855897 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000171 (yxz) -0.00000171 (yxz) -0.00000171 (yzx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 12 12 10 ] 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: 0.88, Number of G-points: 315, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/162) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.935 ( 0.000 0.000 0.000) 0.000 6.300 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 10.097 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 11.005 ( 0.000 0.000 0.000) 0.000 11.945 ( 0.000 0.000 0.000) 0.000 11.945 ( 0.000 0.000 0.000) 0.000 14.948 ( 0.000 0.000 0.000) 0.000 14.948 ( 0.000 0.000 0.000) 0.000 15.240 ( 0.000 0.000 0.000) 0.000 15.240 ( 0.000 0.000 0.000) 0.000 17.274 ( 0.000 0.000 0.000) 0.000 17.274 ( 0.000 0.000 0.000) 0.000 18.168 ( 0.000 0.000 0.000) 0.000 19.198 ( 0.000 0.000 0.000) 0.000 20.024 ( 0.000 0.000 0.000) 0.000 21.365 ( 0.000 0.000 0.000) 0.000 21.681 ( 0.000 0.000 0.000) 0.000 21.681 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/162) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 26.000 15.011 0.000) 30.023 0.881 ( 38.115 22.006 0.000) 44.012 1.618 ( 70.212 40.537 0.000) 81.074 5.421 ( -15.109 -8.723 0.000) 17.446 6.090 ( -5.312 -3.067 0.000) 6.134 6.093 ( 8.424 4.864 0.000) 9.727 6.262 ( -2.845 -1.643 0.000) 3.285 7.875 ( 1.563 0.902 0.000) 1.805 7.889 ( 2.193 1.266 0.000) 2.532 10.012 ( -7.111 -4.105 0.000) 8.211 10.180 ( -0.061 -0.035 0.000) 0.071 10.913 ( -7.682 -4.435 0.000) 8.870 11.696 ( -7.073 -4.084 0.000) 8.167 12.012 ( 5.400 3.118 0.000) 6.235 12.020 ( 5.943 3.431 0.000) 6.863 14.928 ( -1.627 -0.939 0.000) 1.878 14.972 ( 1.104 0.638 0.000) 1.275 15.289 ( 5.059 2.921 0.000) 5.842 17.250 ( -1.675 -0.967 0.000) 1.934 17.342 ( 6.119 3.533 0.000) 7.066 18.190 ( 1.603 0.926 0.000) 1.851 19.140 ( -4.949 -2.858 0.000) 5.715 20.044 ( 1.621 0.936 0.000) 1.872 21.242 ( -7.239 -4.180 0.000) 8.359 21.417 ( 0.687 0.397 0.000) 0.794 21.678 ( -0.308 -0.178 0.000) 0.356 21.709 ( 1.804 1.041 0.000) 2.083 ======================= Grid point 2 (3/162) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 25.841 14.919 0.000) 29.839 1.736 ( 36.471 21.057 0.000) 42.114 3.201 ( 67.863 39.181 0.000) 78.361 5.051 ( -16.578 -9.571 0.000) 19.143 5.917 ( -9.482 -5.474 0.000) 10.949 6.197 ( -1.777 -1.026 0.000) 2.052 6.245 ( 3.858 2.228 0.000) 4.455 7.927 ( 0.767 0.443 0.000) 0.885 7.931 ( 3.367 1.944 0.000) 3.888 9.798 ( -11.041 -6.375 0.000) 12.749 10.187 ( 0.708 0.409 0.000) 0.817 10.677 ( -12.502 -7.218 0.000) 14.436 11.455 ( -14.181 -8.188 0.000) 16.375 12.164 ( 7.274 4.200 0.000) 8.399 12.191 ( 8.563 4.944 0.000) 9.888 14.882 ( -2.242 -1.295 0.000) 2.589 14.957 ( -2.572 -1.485 0.000) 2.970 15.496 ( 12.762 7.368 0.000) 14.736 17.223 ( -0.099 -0.057 0.000) 0.114 17.541 ( 10.966 6.331 0.000) 12.663 18.220 ( 0.590 0.341 0.000) 0.681 18.979 ( -8.858 -5.114 0.000) 10.228 20.088 ( 1.913 1.104 0.000) 2.209 21.059 ( -8.229 -4.751 0.000) 9.502 21.420 ( -0.214 -0.123 0.000) 0.247 21.668 ( -0.548 -0.316 0.000) 0.633 21.737 ( 0.303 0.175 0.000) 0.350 ======================= Grid point 3 (4/162) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 23.786 13.733 0.000) 27.466 2.540 ( 33.599 19.399 0.000) 38.797 4.684 ( -15.138 -8.740 0.000) 17.480 4.711 ( 63.764 36.814 0.000) 73.628 5.673 ( -11.337 -6.546 0.000) 13.091 6.190 ( 1.132 0.654 0.000) 1.307 6.262 ( -2.439 -1.408 0.000) 2.816 7.926 ( -0.451 -0.260 0.000) 0.520 8.031 ( 5.378 3.105 0.000) 6.210 9.531 ( -11.803 -6.814 0.000) 13.629 10.204 ( 0.403 0.232 0.000) 0.465 10.360 ( -14.862 -8.581 0.000) 17.161 11.043 ( -21.817 -12.596 0.000) 25.192 12.324 ( 6.464 3.732 0.000) 7.464 12.395 ( 8.948 5.166 0.000) 10.332 14.833 ( -1.904 -1.099 0.000) 2.199 14.864 ( -5.266 -3.040 0.000) 6.081 15.844 ( 16.986 9.807 0.000) 19.614 17.264 ( 3.808 2.199 0.000) 4.398 17.829 ( 13.840 7.991 0.000) 15.981 18.199 ( -2.728 -1.575 0.000) 3.150 18.749 ( -10.890 -6.287 0.000) 12.575 20.109 ( -0.732 -0.423 0.000) 0.845 20.891 ( -5.848 -3.376 0.000) 6.753 21.412 ( -0.355 -0.205 0.000) 0.410 21.654 ( -0.648 -0.374 0.000) 0.749 21.717 ( -1.994 -1.151 0.000) 2.302 ======================= Grid point 4 (5/162) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 19.438 11.222 0.000) 22.445 3.245 ( 26.552 15.330 0.000) 30.660 4.390 ( -9.108 -5.259 0.000) 10.517 5.402 ( -10.303 -5.948 0.000) 11.897 6.069 ( -11.947 -6.897 0.000) 13.795 6.125 ( 58.074 33.529 0.000) 67.058 6.301 ( 5.726 3.306 0.000) 6.611 7.927 ( 0.772 0.446 0.000) 0.892 8.173 ( 6.851 3.955 0.000) 7.910 9.276 ( -10.096 -5.829 0.000) 11.657 10.013 ( -15.193 -8.772 0.000) 17.543 10.193 ( -1.398 -0.807 0.000) 1.615 10.461 ( -28.738 -16.592 0.000) 33.184 12.453 ( 4.775 2.757 0.000) 5.514 12.586 ( 7.439 4.295 0.000) 8.590 14.733 ( -5.795 -3.346 0.000) 6.691 14.797 ( -1.242 -0.717 0.000) 1.434 16.244 ( 17.295 9.985 0.000) 19.970 17.395 ( 7.399 4.272 0.000) 8.544 18.090 ( -6.692 -3.864 0.000) 7.727 18.155 ( 14.153 8.171 0.000) 16.343 18.497 ( -10.795 -6.232 0.000) 12.465 20.034 ( -5.732 -3.309 0.000) 6.618 20.814 ( -0.821 -0.474 0.000) 0.948 21.405 ( -0.293 -0.169 0.000) 0.338 21.639 ( -0.568 -0.328 0.000) 0.656 21.652 ( -3.451 -1.992 0.000) 3.985 ======================= Grid point 5 (6/162) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 12.850 7.419 0.000) 14.838 3.611 ( 3.376 1.949 0.000) 3.898 4.406 ( 12.206 7.047 0.000) 14.094 5.201 ( -6.530 -3.770 0.000) 7.540 5.719 ( -17.200 -9.931 0.000) 19.861 6.441 ( 5.512 3.182 0.000) 6.365 7.371 ( 49.704 28.697 0.000) 57.394 7.958 ( 1.565 0.904 0.000) 1.807 8.326 ( 5.839 3.371 0.000) 6.742 9.086 ( -6.138 -3.544 0.000) 7.087 9.602 ( -26.809 -15.478 0.000) 30.956 9.835 ( -18.158 -10.484 0.000) 20.967 10.149 ( -2.036 -1.176 0.000) 2.351 12.539 ( 2.682 1.549 0.000) 3.097 12.723 ( 4.256 2.457 0.000) 4.914 14.618 ( -3.834 -2.214 0.000) 4.427 14.776 ( -0.606 -0.350 0.000) 0.700 16.599 ( 12.682 7.322 0.000) 14.644 17.581 ( 8.175 4.720 0.000) 9.440 17.917 ( -7.436 -4.293 0.000) 8.586 18.267 ( -8.953 -5.169 0.000) 10.338 18.446 ( 10.322 5.959 0.000) 11.918 19.879 ( -6.667 -3.849 0.000) 7.698 20.831 ( 1.540 0.889 0.000) 1.779 21.399 ( -0.251 -0.145 0.000) 0.289 21.575 ( -2.861 -1.652 0.000) 3.304 21.629 ( -0.328 -0.190 0.000) 0.379 ======================= Grid point 6 (7/162) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -0.000 -0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 4.659 ( 0.000 0.000 0.000) 0.000 5.124 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 6.511 ( 0.000 0.000 0.000) 0.000 7.979 ( 0.000 0.000 0.000) 0.000 8.155 ( -0.000 -0.000 0.000) 0.000 8.403 ( -0.000 -0.000 0.000) 0.000 9.013 ( 0.000 0.000 0.000) 0.000 9.037 ( 0.000 0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 10.122 ( 0.000 0.000 0.000) 0.000 12.571 ( 0.000 0.000 0.000) 0.000 12.773 ( 0.000 0.000 0.000) 0.000 14.572 ( 0.000 0.000 0.000) 0.000 14.769 ( 0.000 0.000 0.000) 0.000 16.759 ( 0.000 0.000 0.000) 0.000 17.701 ( 0.000 0.000 0.000) 0.000 17.816 ( 0.000 0.000 0.000) 0.000 18.141 ( -0.000 -0.000 0.000) 0.000 18.575 ( 0.000 0.000 0.000) 0.000 19.790 ( 0.000 0.000 0.000) 0.000 20.854 ( 0.000 0.000 0.000) 0.000 21.395 ( -0.000 -0.000 0.000) 0.000 21.540 ( 0.000 0.000 0.000) 0.000 21.625 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/162) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 16.150 27.973 4.007) 32.547 1.502 ( 21.543 37.313 11.601) 44.620 2.773 ( 39.118 67.755 -8.543) 78.702 5.152 ( -9.619 -16.661 -2.925) 19.460 5.971 ( -4.971 -8.610 3.711) 10.612 6.214 ( 3.301 5.718 -4.239) 7.846 6.214 ( -1.477 -2.559 1.719) 3.418 7.895 ( 1.195 2.070 2.107) 3.186 7.940 ( 1.278 2.213 1.143) 2.799 9.871 ( -5.627 -9.746 -2.377) 11.502 10.157 ( -1.086 -1.881 -2.137) 3.047 10.754 ( -6.372 -11.036 -0.161) 12.745 11.740 ( 0.093 0.160 -0.551) 0.581 11.784 ( -4.399 -7.619 2.332) 9.101 12.287 ( 6.919 11.984 -0.311) 13.842 14.767 ( -4.085 -7.075 3.294) 8.809 15.227 ( 7.596 13.157 0.789) 15.212 15.292 ( 0.572 0.990 -3.220) 3.417 17.216 ( -1.051 -1.821 0.379) 2.136 17.486 ( 6.131 10.618 0.079) 12.261 18.215 ( 0.658 1.140 -0.213) 1.333 19.031 ( -4.603 -7.972 -0.583) 9.224 20.081 ( 1.498 2.595 0.070) 2.997 21.108 ( -4.957 -8.586 12.251) 15.760 21.422 ( 0.008 0.014 2.586) 2.586 21.632 ( -1.361 -2.357 -0.230) 2.731 21.768 ( 1.471 2.548 -13.793) 14.103 ======================= Grid point 15 (9/162) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 17.043 27.945 4.418) 33.029 2.269 ( 26.782 31.512 7.926) 42.108 4.154 ( 49.735 53.814 -8.078) 73.721 4.807 ( -11.872 -14.111 -1.502) 18.502 5.759 ( -8.444 -10.289 5.605) 14.443 6.189 ( 0.223 0.806 1.307) 1.551 6.281 ( -0.033 0.802 -6.257) 6.308 7.941 ( -0.611 1.303 1.694) 2.223 7.975 ( 3.483 1.583 1.757) 4.210 9.644 ( -9.496 -8.861 -3.862) 13.550 10.115 ( 1.164 -7.358 -2.850) 7.976 10.497 ( -10.510 -10.484 -0.129) 14.845 11.422 ( -25.106 3.038 2.276) 25.392 11.930 ( 18.962 -14.128 1.726) 23.709 12.504 ( 3.570 13.989 -0.148) 14.438 14.649 ( 0.352 -11.117 2.611) 11.425 15.197 ( -12.155 11.747 -2.095) 17.033 15.616 ( 19.057 7.589 0.407) 20.516 17.203 ( 1.999 -1.431 0.676) 2.550 17.747 ( 9.629 13.923 0.481) 16.935 18.216 ( -1.010 -1.088 -0.404) 1.539 18.836 ( -7.856 -9.074 -0.655) 12.020 20.130 ( 0.378 2.919 0.220) 2.952 20.927 ( -5.557 -8.390 11.630) 15.380 21.417 ( -0.394 -0.155 0.315) 0.528 21.592 ( 0.523 -4.564 1.068) 4.717 21.793 ( -1.635 2.830 -12.902) 13.309 ======================= Grid point 16 (10/162) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 13.894 27.478 4.101) 31.063 3.015 ( 25.057 27.796 4.488) 37.692 4.481 ( -10.570 -10.909 1.869) 15.305 5.487 ( 13.170 13.710 -7.616) 20.480 5.513 ( 28.850 15.142 1.870) 32.636 6.189 ( -7.176 -2.770 -5.884) 9.685 6.278 ( 4.310 6.244 3.187) 8.229 7.915 ( -0.777 -1.838 -0.295) 2.017 8.090 ( 6.353 3.060 2.749) 7.568 9.391 ( -10.189 -6.950 -3.739) 12.888 10.013 ( -1.416 -15.940 -3.344) 16.349 10.220 ( -9.961 -7.496 -0.307) 12.470 10.968 ( -31.216 3.551 3.203) 31.580 12.107 ( 17.994 -14.874 2.303) 23.459 12.687 ( 1.670 13.688 0.589) 13.802 14.550 ( 2.024 -13.146 1.603) 13.397 15.104 ( -12.094 12.021 -1.380) 17.107 16.033 ( 18.711 10.285 0.492) 21.357 17.266 ( 6.975 -1.390 0.649) 7.142 18.070 ( 10.410 15.107 1.253) 18.389 18.147 ( -4.399 -3.827 -0.437) 5.847 18.601 ( -8.867 -7.790 -0.417) 11.811 20.122 ( -4.838 1.627 0.604) 5.140 20.783 ( -1.026 -7.656 8.473) 11.466 21.409 ( -0.381 -0.206 -0.534) 0.688 21.555 ( 1.014 -5.675 2.394) 6.243 21.773 ( -3.901 3.189 -11.875) 12.900 ======================= Grid point 17 (11/162) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 7.914 26.168 2.917) 27.494 3.603 ( 10.601 19.618 2.756) 22.469 4.294 ( 2.098 -3.463 6.538) 7.690 5.263 ( -6.500 -7.813 1.777) 10.318 5.919 ( -16.024 -8.078 -7.302) 19.373 6.329 ( 12.870 3.443 -8.681) 15.901 6.842 ( 42.996 32.949 2.404) 54.222 7.898 ( 2.436 -4.171 -1.411) 5.032 8.233 ( 6.797 1.683 2.285) 7.365 9.177 ( -8.189 -3.452 -1.789) 9.065 9.733 ( -10.164 -18.649 -2.000) 21.333 9.999 ( -9.299 -7.636 -1.209) 12.093 10.474 ( -29.529 7.489 3.240) 30.636 12.245 ( 15.577 -15.789 2.272) 22.296 12.828 ( -0.313 12.093 1.415) 12.179 14.460 ( 2.969 -13.347 0.789) 13.696 15.030 ( -10.904 13.112 -0.665) 17.067 16.437 ( 15.842 9.759 0.273) 18.608 17.405 ( 10.884 -2.477 0.176) 11.164 17.995 ( -7.203 -5.676 -0.284) 9.176 18.278 ( -1.093 -4.795 0.716) 4.970 18.495 ( 1.131 14.395 2.008) 14.579 19.993 ( -9.533 -1.019 0.421) 9.596 20.748 ( 4.391 -6.487 5.759) 9.722 21.401 ( -0.259 -0.231 -0.557) 0.656 21.514 ( 0.813 -5.679 2.975) 6.462 21.734 ( -4.435 3.925 -11.365) 12.816 ======================= Grid point 18 (12/162) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -2.210 22.977 0.938) 23.102 3.680 ( -7.164 4.756 4.613) 9.758 4.536 ( 14.372 4.773 15.539) 21.698 5.163 ( -0.116 1.598 -8.772) 8.917 5.527 ( -15.654 -9.669 -6.478) 19.506 6.489 ( 3.825 1.898 -3.247) 5.364 7.804 ( 30.458 8.062 -6.782) 32.228 7.933 ( 12.324 0.224 0.025) 12.326 8.294 ( 0.713 -9.150 -1.677) 9.329 9.064 ( -3.418 2.399 1.158) 4.333 9.309 ( -20.529 -7.094 6.443) 22.655 9.772 ( -10.850 3.608 -2.696) 11.748 10.200 ( -9.347 4.116 0.370) 10.220 12.322 ( 12.268 -17.161 2.076) 21.198 12.908 ( -3.245 9.861 1.933) 10.559 14.399 ( 4.947 -11.993 0.381) 12.979 14.992 ( -9.256 14.126 -0.299) 16.891 16.724 ( 7.013 5.209 0.033) 8.736 17.554 ( 9.865 -6.434 -0.730) 11.801 17.833 ( -4.121 -3.812 -0.079) 5.614 18.138 ( -2.850 -6.459 0.922) 7.120 18.702 ( -1.728 17.570 4.431) 18.202 19.833 ( -5.855 -0.870 -0.978) 6.000 20.771 ( 5.227 -7.018 4.683) 9.925 21.395 ( -0.131 -0.196 -0.480) 0.535 21.479 ( 1.330 -4.384 2.999) 5.476 21.707 ( -3.498 4.629 -11.000) 12.436 ======================= Grid point 27 (13/162) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 17.222 29.830 5.696) 34.912 2.937 ( 20.114 34.839 7.815) 40.981 4.524 ( -7.955 -13.779 0.964) 15.940 5.233 ( 29.610 51.286 -11.152) 60.261 5.527 ( -6.464 -11.196 4.708) 13.759 6.251 ( -2.518 -4.362 -10.036) 11.229 6.260 ( 4.311 7.467 4.952) 9.943 7.917 ( -2.150 -3.724 -0.565) 4.337 8.043 ( 3.044 5.272 4.200) 7.396 9.455 ( -5.686 -9.849 -5.025) 12.433 9.927 ( -6.522 -11.296 -4.147) 13.687 10.276 ( -6.555 -11.353 -0.594) 13.123 11.443 ( -4.548 -7.877 3.154) 9.627 11.692 ( -2.393 -4.144 3.497) 5.927 12.743 ( 5.940 10.288 0.973) 11.919 14.462 ( -4.598 -7.964 1.832) 9.377 15.313 ( 0.541 0.936 -1.711) 2.024 15.882 ( 10.621 18.397 0.953) 21.264 17.192 ( 0.419 0.725 1.096) 1.380 18.060 ( 9.521 16.490 1.711) 19.118 18.166 ( -2.448 -4.239 -0.691) 4.944 18.639 ( -5.634 -9.758 -0.921) 11.305 20.185 ( 1.091 1.889 0.239) 2.194 20.742 ( -5.578 -9.662 13.595) 17.587 21.412 ( -0.231 -0.401 -0.614) 0.769 21.515 ( -1.820 -3.153 -0.574) 3.686 21.825 ( 0.256 0.443 -13.588) 13.598 ======================= Grid point 28 (14/162) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 11.861 31.261 6.132) 33.993 3.609 ( 18.310 31.233 4.868) 36.530 4.279 ( -6.527 -8.996 5.945) 12.605 5.259 ( -5.784 -12.823 7.519) 15.951 6.071 ( -2.816 0.525 -14.027) 14.316 6.116 ( 12.667 9.774 -16.110) 22.705 6.610 ( 21.617 28.293 6.912) 36.271 7.827 ( -1.346 -6.823 -2.642) 7.440 8.155 ( 4.313 2.867 4.150) 6.636 9.277 ( -6.405 -3.732 -2.038) 7.688 9.671 ( -6.194 -17.396 -4.182) 18.933 10.072 ( -6.319 -6.203 -1.871) 9.050 11.092 ( -30.528 7.285 3.879) 31.624 11.759 ( 18.595 -20.185 4.228) 27.769 12.916 ( 2.817 9.564 2.222) 10.215 14.326 ( -1.257 -9.533 0.930) 9.660 15.300 ( -5.961 7.618 -0.750) 9.702 16.275 ( 14.979 14.175 0.525) 20.629 17.240 ( 5.082 -0.724 1.010) 5.231 18.044 ( -5.379 -6.514 -0.651) 8.473 18.257 ( -1.115 -3.180 2.201) 4.025 18.588 ( 4.525 12.849 0.718) 13.642 20.162 ( -7.417 2.078 0.701) 7.734 20.587 ( 1.490 -11.918 10.498) 15.952 21.403 ( -0.305 -0.345 -0.980) 1.083 21.464 ( -0.437 -3.425 -0.280) 3.464 21.818 ( -1.869 1.350 -13.333) 13.531 ======================= Grid point 29 (15/162) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( 3.636 30.953 5.000) 31.565 3.925 ( -11.449 9.368 4.609) 15.495 4.334 ( 16.297 10.391 14.451) 24.133 5.112 ( 2.418 -6.658 -0.081) 7.084 5.743 ( -18.301 -10.038 -12.029) 24.091 6.416 ( 8.222 5.210 -7.518) 12.300 7.363 ( 30.583 17.841 -6.509) 36.000 7.759 ( 3.244 -9.125 -4.259) 10.580 8.199 ( 1.008 -6.338 1.229) 6.534 9.176 ( -5.562 3.348 1.903) 6.765 9.420 ( -4.989 -10.137 1.309) 11.374 9.962 ( -4.207 4.074 -3.157) 6.653 10.618 ( -30.742 6.540 3.603) 31.636 11.864 ( 17.708 -22.607 4.066) 29.004 13.027 ( -0.144 8.031 3.134) 8.622 14.233 ( 1.532 -9.475 0.333) 9.604 15.276 ( -7.579 11.372 -0.172) 13.667 16.636 ( 11.470 10.355 0.029) 15.453 17.334 ( 7.819 -4.171 0.242) 8.865 17.873 ( -5.924 -6.178 -0.204) 8.562 18.111 ( -3.622 -9.541 1.527) 10.319 18.886 ( 4.734 21.984 4.976) 23.032 19.984 ( -12.203 -0.070 0.149) 12.204 20.556 ( 7.662 -12.601 6.903) 16.283 21.395 ( -0.200 -0.313 -0.871) 0.947 21.431 ( 0.211 -2.724 0.133) 2.735 21.798 ( -2.473 2.475 -13.202) 13.658 ======================= Grid point 30 (16/162) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.455 ( -14.363 24.877 1.766) 28.780 3.801 ( -4.666 8.082 10.314) 13.910 4.568 ( 0.088 -0.153 22.606) 22.607 5.291 ( -2.898 5.019 -16.872) 17.839 5.327 ( 3.473 -6.015 -6.218) 9.322 6.517 ( -0.477 0.826 -5.138) 5.226 7.702 ( 5.475 -9.482 -6.415) 12.690 7.885 ( 8.231 -14.256 -11.093) 19.850 8.064 ( 3.677 -6.368 -0.895) 7.408 9.140 ( -2.641 4.574 1.114) 5.398 9.336 ( -2.320 4.017 10.074) 11.091 9.995 ( -10.012 17.341 -1.635) 20.090 10.311 ( -5.263 9.115 1.096) 10.582 11.906 ( 14.258 -24.696 3.945) 28.788 13.067 ( -3.499 6.060 3.465) 7.809 14.198 ( 4.653 -8.059 0.134) 9.307 15.267 ( -7.440 12.887 0.003) 14.880 16.804 ( -1.741 3.015 -0.190) 3.486 17.386 ( 5.338 -9.247 -0.599) 10.694 17.780 ( 0.757 -1.311 0.226) 1.531 18.020 ( 3.166 -5.484 1.912) 6.615 19.065 ( -9.977 17.281 7.903) 21.463 19.850 ( -1.753 3.036 -2.123) 4.098 20.564 ( 7.716 -13.365 5.950) 16.540 21.392 ( 0.085 -0.148 -0.812) 0.830 21.419 ( 1.074 -1.861 0.319) 2.172 21.788 ( -1.911 3.310 -13.182) 13.725 ======================= Grid point 41 (17/162) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( 14.922 25.845 8.648) 31.071 4.104 ( -1.110 -1.922 5.260) 5.709 4.246 ( 14.496 25.107 8.072) 30.094 5.027 ( -5.347 -9.262 5.910) 12.219 5.868 ( -8.433 -14.606 -12.285) 20.866 6.357 ( 6.031 10.446 -10.642) 16.085 7.182 ( 14.542 25.187 -6.445) 29.789 7.678 ( -4.099 -7.099 -5.361) 9.794 8.156 ( -2.358 -4.085 1.977) 5.115 9.271 ( 1.544 2.675 5.303) 6.136 9.377 ( -6.102 -10.568 -3.473) 12.688 10.015 ( 1.051 1.821 -3.464) 4.053 11.170 ( -4.401 -7.622 2.740) 9.218 11.359 ( -7.089 -12.278 6.729) 15.693 13.069 ( 3.381 5.856 3.547) 7.636 14.171 ( -3.524 -6.103 0.298) 7.054 15.412 ( 2.266 3.925 -0.092) 4.533 16.578 ( 8.999 15.587 -0.033) 17.998 17.242 ( 0.339 0.587 0.815) 1.060 17.897 ( -4.470 -7.743 -0.331) 8.947 18.091 ( -5.624 -9.742 1.836) 11.398 18.955 ( 11.735 20.325 4.342) 23.867 20.179 ( -1.423 -2.464 -0.254) 2.856 20.339 ( -6.261 -10.844 8.973) 15.404 21.396 ( -0.214 -0.371 -1.040) 1.125 21.416 ( -0.902 -1.563 -0.838) 1.990 21.832 ( 0.142 0.246 -13.831) 13.834 ======================= Grid point 42 (18/162) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( 4.710 20.591 10.807) 23.727 3.996 ( -7.932 0.759 12.606) 14.913 4.656 ( -2.381 18.886 8.309) 20.769 5.033 ( 18.062 -1.041 -4.343) 18.606 5.504 ( -16.170 -14.348 -10.321) 23.956 6.519 ( 3.004 4.462 -6.910) 8.757 7.538 ( 5.887 -1.260 -9.083) 10.897 7.615 ( 8.958 -0.241 -10.186) 13.566 7.984 ( -5.105 -13.863 -4.101) 15.332 9.243 ( -3.987 3.034 1.282) 5.172 9.351 ( 2.186 -0.134 6.734) 7.081 10.210 ( 8.320 21.387 -0.543) 22.954 10.722 ( -32.419 3.680 3.812) 32.849 11.355 ( 18.523 -28.408 5.214) 34.312 13.147 ( -0.029 4.076 4.261) 5.897 14.088 ( 0.405 -5.048 -0.058) 5.065 15.462 ( -2.548 6.904 0.262) 7.363 16.848 ( 4.819 10.991 -0.501) 12.011 17.234 ( 1.834 -6.574 -0.196) 6.828 17.779 ( -2.201 -2.356 0.726) 3.305 17.930 ( -1.327 -8.296 2.091) 8.658 19.317 ( 3.977 20.477 9.223) 22.807 19.986 ( -12.868 0.254 -0.445) 12.878 20.268 ( 9.048 -15.704 3.974) 18.555 21.390 ( -0.096 -0.228 -0.978) 1.009 21.397 ( 0.054 -0.922 -0.789) 1.215 21.833 ( -0.701 1.171 -14.035) 14.101 ======================= Grid point 54 (19/162) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.985 ( -1.570 -2.719 16.220) 16.521 3.985 ( 1.570 2.719 16.220) 16.521 4.990 ( -4.723 -8.181 -6.010) 11.197 4.990 ( 4.723 8.181 -6.010) 11.197 5.265 ( 0.000 0.000 -0.730) 0.730 6.567 ( -0.000 -0.000 -6.770) 6.770 7.487 ( -0.000 -0.000 -8.080) 8.080 7.730 ( -5.010 -8.678 -10.353) 14.408 7.730 ( 5.010 8.678 -10.353) 14.408 9.314 ( -1.741 -3.015 3.808) 5.159 9.314 ( 1.741 3.015 3.808) 5.159 10.714 ( -9.157 -15.861 2.199) 18.446 10.714 ( 9.157 15.861 2.199) 18.446 10.840 ( -0.000 -0.000 7.407) 7.407 13.188 ( -0.000 -0.000 4.646) 4.646 14.037 ( -0.000 -0.000 -0.212) 0.212 15.533 ( -0.000 -0.000 0.439) 0.439 17.063 ( -5.148 -8.916 -0.707) 10.320 17.063 ( 5.148 8.916 -0.707) 10.320 17.800 ( -2.149 -3.723 1.841) 4.676 17.800 ( 2.149 3.723 1.841) 4.676 19.588 ( -0.000 -0.000 16.044) 16.044 20.017 ( -2.832 -4.905 -1.634) 5.895 20.017 ( 2.832 4.905 -1.634) 5.895 21.388 ( -0.056 -0.097 -0.988) 0.995 21.388 ( 0.056 0.097 -0.988) 0.995 21.845 ( -0.000 -0.000 -14.275) 14.275 ======================= Grid point 157 (20/162) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 0.000 0.000 32.689) 32.689 0.657 ( 0.000 -0.000 32.689) 32.689 1.115 ( 0.000 0.000 55.092) 55.092 5.612 ( 0.000 0.000 -4.510) 4.510 5.612 ( 0.000 -0.000 -4.510) 4.510 5.946 ( 0.000 -0.000 1.118) 1.118 7.813 ( 0.000 -0.000 -4.343) 4.343 7.813 ( 0.000 0.000 -4.343) 4.343 7.821 ( 0.000 -0.000 6.044) 6.044 10.207 ( 0.000 0.000 2.341) 2.341 10.207 ( -0.000 -0.000 2.341) 2.341 10.747 ( 0.000 -0.000 -7.012) 7.012 10.979 ( 0.000 0.000 -2.609) 2.609 11.948 ( 0.000 -0.000 0.343) 0.343 11.948 ( 0.000 0.000 0.343) 0.343 14.906 ( 0.000 0.000 -3.612) 3.612 14.906 ( 0.000 -0.000 -3.612) 3.612 15.292 ( 0.000 0.000 4.660) 4.660 15.292 ( 0.000 -0.000 4.660) 4.660 17.282 ( 0.000 0.000 0.879) 0.879 17.282 ( 0.000 -0.000 0.879) 0.879 18.182 ( 0.000 -0.000 1.394) 1.394 20.016 ( 0.000 0.000 -0.767) 0.767 21.376 ( 0.000 -0.000 1.035) 1.035 21.672 ( -0.000 0.000 -0.870) 0.870 21.672 ( 0.000 -0.000 -0.870) 0.870 22.698 ( 0.000 -0.000 -0.734) 0.734 ======================= Grid point 158 (21/162) ======================= q-point: ( 0.08 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 20.921 33.390 14.535) 41.999 1.106 ( 10.207 17.154 35.806) 40.994 1.857 ( 66.375 19.469 22.587) 72.766 5.395 ( -9.883 -14.833 -3.031) 18.080 5.790 ( 1.161 11.622 -11.296) 16.248 6.089 ( 10.787 0.987 -0.530) 10.845 6.822 ( -30.898 -18.403 29.021) 46.212 7.831 ( -0.073 3.918 -4.187) 5.735 7.894 ( 0.617 2.866 0.189) 2.938 9.994 ( -6.820 -6.073 -1.573) 9.267 10.203 ( 1.452 -3.098 2.211) 4.074 10.881 ( -7.366 -4.563 -3.217) 9.242 11.575 ( 8.756 3.425 -11.206) 14.628 11.963 ( 2.805 10.569 -3.393) 11.449 12.017 ( 7.858 -1.619 0.463) 8.037 14.879 ( -6.719 8.319 -3.928) 11.392 14.980 ( 4.519 -1.579 -0.133) 4.789 15.321 ( 6.578 -3.427 2.987) 7.996 17.184 ( 72.964 42.796 -81.955) 117.779 17.263 ( -1.131 -0.292 0.940) 1.499 17.369 ( 13.995 8.697 -9.410) 18.975 18.202 ( 1.507 0.701 1.178) 2.038 20.037 ( 1.711 1.037 -0.732) 2.130 21.373 ( -1.144 -0.457 1.101) 1.652 21.570 ( -13.683 0.291 1.019) 13.724 21.659 ( -1.083 -0.698 -0.951) 1.601 22.209 ( -18.795 -19.465 24.643) 36.598 ======================= Grid point 159 (22/162) ======================= q-point: ( 0.17 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 16.111 15.303 25.086) 33.512 1.781 ( 27.046 31.487 4.729) 41.777 3.278 ( 68.715 26.803 7.444) 74.132 5.055 ( -12.990 -12.300 0.239) 17.891 5.790 ( -9.162 3.598 -9.267) 13.519 6.250 ( 7.970 -2.779 0.903) 8.488 6.402 ( -9.380 -5.177 15.828) 19.113 7.888 ( 0.992 5.480 -3.695) 6.684 7.926 ( 0.522 1.437 -0.744) 1.700 9.783 ( -8.545 -9.579 -1.465) 12.920 10.202 ( 2.026 -2.977 1.519) 3.908 10.646 ( -12.392 -7.467 -3.027) 14.781 11.431 ( -14.787 -6.070 -2.267) 16.144 12.154 ( 1.527 14.280 -0.906) 14.390 12.201 ( 15.497 -3.036 0.813) 15.812 14.839 ( -7.255 8.244 -3.341) 11.479 14.992 ( 2.120 -8.637 2.543) 9.250 15.497 ( 12.544 6.003 0.050) 13.906 17.245 ( -0.014 0.793 2.152) 2.293 17.535 ( 10.462 6.261 -0.681) 12.212 18.226 ( 1.075 0.243 -0.972) 1.470 18.292 ( 21.540 12.841 -51.677) 57.440 20.087 ( 2.250 1.467 -0.452) 2.724 21.146 ( -21.844 -0.780 4.010) 22.223 21.423 ( -1.602 0.658 0.277) 1.754 21.627 ( -1.993 -0.208 -1.651) 2.597 21.943 ( 1.496 -13.832 14.245) 19.912 ======================= Grid point 160 (23/162) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 17.474 16.271 15.352) 28.386 2.536 ( 28.043 24.240 -0.435) 37.070 4.600 ( 25.849 11.550 -4.398) 28.652 4.817 ( 25.122 6.428 6.734) 26.792 5.591 ( -14.115 -0.679 -7.323) 15.916 6.288 ( 1.773 -6.990 3.853) 8.176 6.318 ( 0.585 1.500 10.160) 10.287 7.915 ( -0.977 1.205 -1.078) 1.889 8.003 ( 4.307 5.459 -2.726) 7.469 9.528 ( -8.885 -10.855 -0.367) 14.032 10.203 ( 1.924 -5.075 -0.076) 5.428 10.329 ( -14.975 -7.635 -3.000) 17.074 11.024 ( -23.653 -8.990 -1.935) 25.377 12.316 ( 3.537 9.414 -0.639) 10.077 12.430 ( 11.459 2.040 3.220) 12.077 14.798 ( -7.911 9.638 -2.522) 12.722 14.899 ( 0.467 -13.236 2.500) 13.478 15.837 ( 16.737 10.118 -0.670) 19.569 17.295 ( 3.766 3.087 3.052) 5.747 17.810 ( 12.701 8.317 -1.902) 15.300 18.203 ( -2.528 -2.006 0.360) 3.247 18.525 ( 1.797 0.814 -20.606) 20.700 20.114 ( -1.094 -0.134 0.312) 1.145 20.824 ( -14.812 2.198 -5.312) 15.889 21.410 ( -0.396 -0.582 -0.239) 0.744 21.586 ( -2.880 0.356 -2.813) 4.041 21.866 ( 3.258 -11.738 9.424) 15.401 ======================= Grid point 161 (24/162) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 15.439 13.684 9.771) 22.827 3.194 ( 23.050 17.910 -5.090) 29.631 4.435 ( -11.437 -1.148 4.436) 12.320 5.340 ( -10.465 -3.416 -5.344) 12.237 5.922 ( 41.910 12.538 -10.734) 45.043 6.155 ( -3.581 -12.158 4.662) 13.505 6.509 ( 18.398 16.591 14.288) 28.599 7.921 ( 1.259 0.136 -0.561) 1.385 8.155 ( 5.894 6.952 -1.829) 9.296 9.278 ( -8.263 -9.339 0.181) 12.471 9.976 ( -13.090 -11.466 -3.617) 17.773 10.180 ( -0.205 -5.806 -1.270) 5.947 10.454 ( -31.659 -8.702 -0.731) 32.842 12.454 ( 3.233 6.490 0.142) 7.253 12.627 ( 7.719 3.993 3.908) 9.529 14.736 ( -11.289 8.526 0.114) 14.147 14.791 ( 3.995 -12.473 -0.309) 13.101 16.237 ( 17.090 10.383 -0.640) 20.007 17.432 ( 7.391 4.650 3.617) 9.451 18.097 ( -6.154 -4.017 0.763) 7.389 18.117 ( 12.311 9.155 -3.814) 15.809 18.464 ( -5.874 -2.944 -3.377) 7.387 20.018 ( -7.601 -3.423 -1.499) 8.470 20.704 ( -4.096 5.184 -9.848) 11.859 21.397 ( -0.202 -0.894 -0.712) 1.160 21.533 ( -3.596 0.177 -3.838) 5.263 21.811 ( 3.250 -10.559 8.291) 13.813 ======================= Grid point 162 (25/162) ======================= q-point: ( 0.42 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 10.167 8.102 5.884) 14.270 3.609 ( 7.607 9.372 -1.588) 12.175 4.316 ( -6.038 8.374 -6.544) 12.222 5.226 ( 2.498 -1.564 2.300) 3.738 5.814 ( -12.962 -15.753 8.564) 22.125 6.371 ( 10.020 0.073 -6.688) 12.047 7.383 ( 44.832 22.355 0.969) 50.106 7.961 ( 3.069 0.456 0.193) 3.109 8.321 ( 5.456 4.513 -0.515) 7.099 9.071 ( -6.969 -4.618 -1.183) 8.443 9.606 ( -22.592 -12.394 0.175) 25.769 9.828 ( -18.305 -12.002 -0.736) 21.901 10.130 ( -3.784 0.084 -1.744) 4.167 12.550 ( 1.715 3.980 1.037) 4.456 12.764 ( 3.422 3.883 3.980) 6.529 14.623 ( -5.327 -0.037 0.551) 5.356 14.765 ( 0.698 -2.501 -1.076) 2.811 16.592 ( 12.509 7.436 -0.697) 14.569 17.618 ( 8.297 3.757 3.346) 9.703 17.936 ( -6.598 -4.115 2.110) 8.058 18.297 ( -5.283 -5.057 2.173) 7.629 18.396 ( 4.915 10.996 -4.130) 12.733 19.839 ( -6.975 -4.485 -3.983) 9.200 20.731 ( -0.547 5.500 -9.480) 10.973 21.387 ( 0.055 -0.687 -1.033) 1.242 21.473 ( -3.087 -0.099 -4.298) 5.293 21.773 ( 3.762 -9.237 7.984) 12.776 ======================= Grid point 163 (26/162) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( -0.212 0.367 3.348) 3.375 3.692 ( -2.985 5.170 9.450) 11.178 4.326 ( -6.546 11.338 -24.567) 27.837 5.401 ( 4.589 -7.948 19.139) 21.225 5.457 ( 2.025 -3.507 1.174) 4.216 6.456 ( 1.628 -2.820 -5.353) 6.266 7.929 ( 2.691 -4.661 -4.166) 6.806 8.182 ( -1.352 2.341 1.800) 3.248 8.314 ( 6.528 -11.307 -7.999) 15.312 9.059 ( -0.235 0.407 2.037) 2.091 9.082 ( -8.312 14.397 6.016) 17.679 9.652 ( 2.285 -3.957 -0.775) 4.634 10.095 ( 0.138 -0.239 -2.529) 2.544 12.586 ( -1.053 1.824 1.415) 2.538 12.813 ( -1.161 2.012 3.966) 4.596 14.575 ( -0.696 1.206 0.314) 1.428 14.759 ( 0.654 -1.133 -1.000) 1.647 16.751 ( -0.010 0.017 -0.848) 0.849 17.723 ( 1.022 -1.770 1.400) 2.478 17.852 ( 0.225 -0.389 4.358) 4.381 18.195 ( -0.684 1.185 5.358) 5.530 18.510 ( -3.345 5.794 -6.280) 9.176 19.746 ( 0.805 -1.394 -4.386) 4.672 20.758 ( -2.363 4.093 -9.203) 10.345 21.385 ( 0.262 -0.454 -0.986) 1.117 21.442 ( -0.540 0.936 -4.463) 4.592 21.759 ( 4.752 -8.231 7.855) 12.330 ======================= Grid point 171 (27/162) ======================= q-point: ( 0.08 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 12.450 21.565 25.569) 35.691 1.810 ( 19.198 33.252 18.401) 42.577 2.709 ( 35.560 61.592 2.984) 71.183 5.090 ( -8.834 -15.300 -3.308) 17.974 5.929 ( 0.312 0.540 -3.028) 3.091 6.124 ( 1.552 2.687 -4.564) 5.519 6.473 ( -7.659 -13.265 17.372) 23.161 7.893 ( 1.902 3.294 -2.371) 4.482 7.960 ( 1.211 2.097 0.895) 2.582 9.810 ( -6.593 -11.419 -3.386) 13.613 10.138 ( -1.817 -3.147 0.300) 3.646 10.720 ( -6.389 -11.066 -3.223) 13.179 11.696 ( 1.961 3.397 -3.547) 5.288 11.826 ( -4.013 -6.951 1.807) 8.227 12.276 ( 7.817 13.540 -0.904) 15.660 14.817 ( -3.728 -6.458 1.260) 7.563 15.222 ( 7.885 13.657 -1.538) 15.844 15.253 ( 0.172 0.298 -0.295) 0.453 17.242 ( -0.602 -1.043 2.189) 2.499 17.482 ( 6.151 10.653 -0.797) 12.327 18.134 ( 18.682 32.359 -63.764) 73.905 18.220 ( 0.428 0.742 0.726) 1.123 20.075 ( 1.542 2.670 -0.670) 3.155 21.332 ( -3.108 -5.384 2.023) 6.538 21.552 ( -3.144 -5.446 -2.504) 6.769 21.620 ( -1.411 -2.444 -0.962) 2.982 21.785 ( -7.911 -13.702 22.104) 27.183 ======================= Grid point 172 (28/162) ======================= q-point: ( 0.17 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 14.248 24.846 18.291) 33.983 2.451 ( 17.614 34.024 9.958) 39.586 4.014 ( 50.653 44.879 -5.397) 67.890 4.800 ( -8.345 -12.463 0.854) 15.023 5.809 ( -11.375 -2.922 -0.478) 11.754 6.167 ( 3.470 -5.419 -4.491) 7.847 6.332 ( -0.864 -0.285 11.454) 11.490 7.958 ( -2.066 0.542 0.376) 2.169 7.983 ( 3.564 4.457 -1.272) 5.847 9.566 ( -8.172 -11.270 -3.721) 14.410 10.072 ( 0.824 -9.625 -1.366) 9.756 10.462 ( -10.371 -10.745 -3.288) 15.291 11.449 ( -25.428 5.498 0.323) 26.017 11.956 ( 19.905 -13.568 0.840) 24.104 12.520 ( 4.147 15.556 1.641) 16.183 14.695 ( -0.407 -11.086 1.760) 11.232 15.163 ( -11.738 11.518 -1.155) 16.486 15.613 ( 19.087 8.204 -0.817) 20.792 17.243 ( 2.133 -0.537 3.254) 3.928 17.742 ( 9.415 14.174 -1.010) 17.046 18.215 ( -1.038 -1.496 0.252) 1.838 18.494 ( 4.711 5.762 -29.323) 30.253 20.129 ( 0.991 2.621 -0.471) 2.842 21.087 ( -15.166 -6.061 1.446) 16.396 21.431 ( -3.394 -0.230 0.272) 3.413 21.605 ( 1.550 -4.046 -4.462) 6.220 21.681 ( 2.457 -8.145 8.327) 11.904 ======================= Grid point 173 (29/162) ======================= q-point: ( 0.25 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 11.022 26.843 13.037) 31.812 3.079 ( 17.979 29.799 1.708) 34.845 4.557 ( -7.265 -6.273 5.604) 11.114 5.239 ( 42.542 23.387 -11.530) 49.897 5.563 ( -7.584 -1.167 -1.560) 7.831 6.099 ( -2.404 -11.033 -2.178) 11.500 6.437 ( 8.051 10.831 10.988) 17.403 7.905 ( -1.464 -3.073 -0.461) 3.435 8.118 ( 5.569 5.819 -0.086) 8.055 9.328 ( -7.844 -7.913 -2.318) 11.381 9.937 ( -1.907 -17.808 -4.063) 18.365 10.185 ( -9.555 -8.797 -3.152) 13.365 11.014 ( -31.141 5.789 1.392) 31.705 12.150 ( 17.928 -13.589 1.867) 22.573 12.728 ( 1.980 15.554 3.403) 16.045 14.580 ( 1.280 -13.625 1.279) 13.744 15.079 ( -11.701 12.504 -1.042) 17.157 16.033 ( 18.576 10.470 -0.582) 21.332 17.312 ( 6.594 -0.761 3.828) 7.663 18.066 ( 9.850 16.477 -1.662) 19.268 18.145 ( -4.035 -4.016 0.241) 5.698 18.509 ( -2.595 -2.257 -8.449) 9.122 20.124 ( -5.040 1.072 -0.427) 5.170 20.824 ( -8.512 -3.071 -5.023) 10.350 21.394 ( -0.762 -0.929 -0.765) 1.424 21.574 ( -0.747 -3.591 -5.705) 6.782 21.651 ( 2.487 -6.918 5.672) 9.285 ======================= Grid point 174 (30/162) ======================= q-point: ( 0.33 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 4.442 26.063 8.877) 27.889 3.609 ( 10.704 22.987 -2.320) 25.463 4.446 ( -1.802 2.645 8.577) 9.155 5.244 ( -8.775 -5.837 -3.661) 11.157 5.859 ( -10.124 -15.119 1.445) 18.252 6.113 ( 23.825 6.194 -11.735) 27.271 6.926 ( 31.122 21.480 4.791) 38.117 7.869 ( 2.967 -6.321 -1.353) 7.113 8.267 ( 5.240 3.385 0.924) 6.306 9.153 ( -6.732 -1.826 -0.322) 6.983 9.670 ( -6.602 -17.462 -4.165) 19.127 9.952 ( -8.606 -9.179 -3.474) 13.053 10.533 ( -31.192 8.413 2.550) 32.407 12.295 ( 14.883 -14.188 2.619) 20.728 12.890 ( -0.453 14.040 4.603) 14.783 14.473 ( 2.505 -13.944 0.536) 14.177 15.015 ( -10.736 13.727 -0.736) 17.442 16.434 ( 15.646 9.660 -0.607) 18.398 17.443 ( 9.919 -2.620 3.355) 10.794 18.002 ( -6.404 -5.428 1.152) 8.474 18.296 ( -0.233 -0.021 0.723) 0.760 18.501 ( 2.534 14.543 -0.988) 14.795 19.968 ( -11.436 -1.743 -2.906) 11.927 20.744 ( 0.869 -1.963 -6.712) 7.047 21.380 ( -0.053 -0.760 -1.449) 1.637 21.515 ( -1.981 -3.112 -5.751) 6.833 21.629 ( 2.420 -5.967 4.392) 7.795 ======================= Grid point 175 (31/162) ======================= q-point: ( 0.42 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( -5.076 22.209 4.542) 23.230 3.833 ( -3.245 12.262 10.017) 16.162 4.549 ( -1.375 15.299 -13.550) 20.483 5.166 ( 8.252 -4.318 7.805) 12.152 5.488 ( -12.224 -16.674 3.688) 21.001 6.378 ( 6.470 0.530 -7.539) 9.949 7.665 ( 27.821 3.883 -6.940) 28.936 7.904 ( 12.883 -6.714 -2.937) 14.821 8.274 ( -4.262 -9.568 -0.392) 10.482 9.074 ( -2.335 2.600 -0.069) 3.495 9.436 ( -9.175 0.192 5.783) 10.847 9.712 ( -12.078 2.261 -3.180) 12.692 10.201 ( -13.246 5.105 -0.074) 14.196 12.374 ( 11.353 -15.495 3.032) 19.447 12.982 ( -3.947 11.696 5.225) 13.405 14.403 ( 4.892 -12.430 -0.012) 13.358 14.983 ( -9.366 14.628 -0.514) 17.377 16.716 ( 6.885 5.043 -0.812) 8.573 17.564 ( 8.627 -7.429 1.276) 11.456 17.861 ( -3.356 -3.111 3.093) 5.523 18.208 ( -2.193 -4.344 5.908) 7.653 18.728 ( -2.635 20.859 -1.654) 21.090 19.770 ( -6.621 -2.330 -5.321) 8.808 20.762 ( 2.843 -2.981 -6.291) 7.520 21.376 ( 0.240 -0.460 -1.408) 1.500 21.461 ( -1.079 -1.511 -5.986) 6.267 21.616 ( 2.769 -5.435 3.818) 7.196 ======================= Grid point 184 (32/162) ======================= q-point: ( 0.17 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 16.066 27.827 12.614) 34.519 3.100 ( 18.044 31.254 8.070) 36.980 4.583 ( -5.216 -9.035 5.118) 11.621 4.941 ( 26.296 45.546 -14.927) 54.669 5.658 ( -6.511 -11.277 5.891) 14.292 6.050 ( -3.846 -6.662 -9.861) 12.507 6.423 ( 5.702 9.877 10.413) 15.444 7.906 ( -3.141 -5.440 -0.325) 6.290 8.095 ( 3.815 6.608 0.838) 7.676 9.367 ( -4.708 -8.155 -3.443) 10.026 9.844 ( -7.584 -13.135 -3.866) 15.652 10.231 ( -6.987 -12.103 -3.800) 14.482 11.505 ( -4.332 -7.504 2.995) 9.168 11.734 ( -1.264 -2.190 0.657) 2.613 12.791 ( 6.872 11.903 3.697) 14.232 14.497 ( -5.122 -8.871 1.542) 10.359 15.285 ( 0.998 1.729 -1.007) 2.236 15.885 ( 10.550 18.272 -0.725) 21.112 17.246 ( 0.677 1.172 4.196) 4.409 18.067 ( 10.222 17.706 -1.026) 20.471 18.159 ( -2.493 -4.318 0.054) 4.987 18.519 ( -1.259 -2.181 -10.572) 10.868 20.178 ( 0.941 1.630 -1.007) 2.134 20.897 ( -6.985 -12.098 -0.722) 13.988 21.404 ( -1.146 -1.984 -0.029) 2.292 21.500 ( -1.856 -3.214 -0.936) 3.828 21.632 ( -0.555 -0.961 -2.890) 3.096 ======================= Grid point 185 (33/162) ======================= q-point: ( 0.25 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 10.660 30.590 9.427) 33.738 3.677 ( 13.281 29.335 1.877) 32.256 4.459 ( -1.395 -2.900 11.869) 12.298 5.354 ( -9.610 -8.210 0.419) 12.646 5.772 ( 23.471 17.710 -12.428) 31.922 5.874 ( -5.890 -10.783 -9.770) 15.698 6.738 ( 15.038 17.931 5.817) 24.114 7.776 ( -2.223 -9.493 -2.146) 9.983 8.221 ( 3.734 3.704 2.351) 5.761 9.259 ( -4.434 1.661 0.447) 4.756 9.566 ( -4.730 -18.481 -5.979) 19.992 10.008 ( -6.752 -7.817 -4.528) 11.278 11.165 ( -29.994 7.909 3.258) 31.190 11.831 ( 18.526 -18.527 2.790) 26.348 12.994 ( 3.315 11.266 5.325) 12.894 14.342 ( -1.824 -10.360 0.614) 10.537 15.288 ( -5.593 8.381 -0.436) 10.086 16.273 ( 14.787 13.776 -0.822) 20.226 17.294 ( 4.435 -0.605 4.257) 6.178 18.042 ( -4.800 -6.177 0.567) 7.844 18.302 ( -0.678 -0.774 2.119) 2.356 18.563 ( 7.305 15.345 -2.955) 17.250 20.150 ( -7.423 1.295 -1.800) 7.747 20.681 ( -2.560 -11.214 -3.124) 11.919 21.376 ( -0.449 -0.827 -1.545) 1.809 21.457 ( 0.768 -4.724 -0.813) 4.855 21.609 ( -1.191 -0.724 -5.156) 5.341 ======================= Grid point 186 (34/162) ======================= q-point: ( 0.33 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -0.324 31.441 6.611) 32.130 4.036 ( -1.934 17.799 5.387) 18.697 4.573 ( 12.675 11.156 9.486) 19.367 5.113 ( -6.882 -7.409 -0.911) 10.154 5.552 ( -13.864 -15.091 -5.193) 21.140 6.237 ( 13.528 6.477 -9.958) 18.003 7.242 ( 24.798 9.400 -5.631) 27.111 7.671 ( 3.343 -12.522 -4.207) 13.626 8.227 ( -2.120 -9.038 1.522) 9.407 9.173 ( -6.650 0.597 -2.817) 7.246 9.448 ( 2.591 -1.961 2.052) 3.843 9.891 ( -2.699 5.153 -3.741) 6.916 10.694 ( -32.389 7.265 3.799) 33.410 11.945 ( 17.120 -21.201 3.771) 27.510 13.125 ( -0.219 9.569 6.372) 11.499 14.234 ( 1.276 -10.084 -0.200) 10.166 15.274 ( -7.552 12.005 -0.011) 14.183 16.626 ( 11.434 9.879 -0.981) 15.142 17.365 ( 6.058 -4.888 2.548) 8.191 17.895 ( -4.780 -4.897 2.525) 7.294 18.190 ( -3.036 -7.604 6.242) 10.296 18.921 ( 6.964 24.002 -1.420) 25.032 19.944 ( -14.797 -0.766 -4.187) 15.397 20.607 ( 5.915 -11.773 -3.297) 13.581 21.368 ( 0.117 -0.360 -1.813) 1.853 21.427 ( 0.754 -3.793 -1.385) 4.107 21.583 ( -0.961 -0.505 -5.781) 5.882 ======================= Grid point 187 (35/162) ======================= q-point: ( 0.42 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( -15.373 26.627 3.609) 30.958 4.071 ( -6.716 11.632 16.504) 21.278 4.887 ( -8.998 15.585 -14.983) 23.417 5.044 ( 5.152 -8.923 16.425) 19.389 5.203 ( 5.020 -8.695 -6.367) 11.889 6.383 ( 0.201 -0.348 -7.993) 8.003 7.568 ( 6.179 -10.702 -6.772) 14.091 7.678 ( 8.701 -15.071 -9.598) 19.874 8.055 ( 5.670 -9.820 0.139) 11.340 9.125 ( -2.182 3.779 -2.747) 5.156 9.463 ( 0.448 -0.776 2.320) 2.487 10.003 ( -12.314 21.329 2.850) 24.793 10.339 ( -6.713 11.627 1.839) 13.551 11.988 ( 13.508 -23.396 4.054) 27.318 13.171 ( -4.202 7.278 6.741) 10.774 14.194 ( 4.847 -8.395 -0.521) 9.707 15.269 ( -7.712 13.357 0.132) 15.424 16.792 ( -1.596 2.764 -1.002) 3.345 17.388 ( 5.323 -9.220 0.494) 10.658 17.825 ( 0.226 -0.392 4.433) 4.456 18.115 ( 2.796 -4.842 7.612) 9.444 19.147 ( -11.205 19.408 0.344) 22.413 19.763 ( -1.510 2.616 -6.546) 7.209 20.605 ( 7.171 -12.421 -3.088) 14.671 21.369 ( 0.168 -0.291 -1.434) 1.473 21.413 ( 1.443 -2.500 -2.087) 3.562 21.571 ( 0.037 -0.064 -5.860) 5.861 ======================= Grid point 194 (36/162) ======================= q-point: (-0.08 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -10.128 17.543 26.417) 33.290 1.396 ( -19.919 34.500 1.386) 39.861 3.009 ( -36.891 63.896 14.491) 75.191 5.206 ( 9.305 -16.117 2.652) 18.798 5.732 ( 2.029 -3.514 -15.137) 15.672 6.278 ( -4.918 8.518 1.983) 10.034 6.467 ( 7.831 -13.564 20.442) 25.752 7.816 ( -0.726 1.258 -5.693) 5.875 7.913 ( -0.922 1.596 -1.733) 2.530 9.891 ( 4.310 -7.465 -0.448) 8.632 10.216 ( 0.691 -1.196 3.582) 3.839 10.727 ( 6.322 -10.949 -2.781) 12.945 11.708 ( -0.594 1.028 -3.757) 3.940 11.740 ( 4.928 -8.535 -2.007) 10.058 12.293 ( -7.854 13.604 0.363) 15.712 14.701 ( 3.732 -6.464 -3.181) 8.114 15.199 ( -7.434 12.876 -1.944) 14.994 15.365 ( -0.167 0.289 3.995) 4.009 17.228 ( 1.018 -1.763 1.614) 2.597 17.480 ( -5.845 10.124 -0.660) 11.709 18.119 ( -19.029 32.959 -65.691) 75.919 18.228 ( -0.680 1.179 1.045) 1.716 20.073 ( -1.449 2.510 -0.770) 2.999 21.149 ( 12.058 -20.885 5.997) 24.851 21.415 ( 0.185 -0.320 0.551) 0.664 21.629 ( 1.251 -2.166 -0.583) 2.569 22.103 ( 1.987 -3.442 16.007) 16.493 ======================= Grid point 198 (37/162) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( 15.561 26.952 7.424) 31.995 4.164 ( 9.262 16.042 1.873) 18.618 4.492 ( 5.406 9.363 15.085) 18.559 5.140 ( -6.711 -11.625 5.070) 14.349 5.621 ( -8.112 -14.050 -12.184) 20.289 6.123 ( 9.091 15.746 -12.085) 21.832 7.070 ( 8.558 14.822 -4.843) 17.787 7.573 ( -5.549 -9.611 -4.754) 12.073 8.197 ( -4.671 -8.091 2.094) 9.575 9.264 ( -4.873 -8.441 -7.637) 12.382 9.385 ( 3.802 6.586 5.729) 9.521 9.937 ( 2.012 3.484 -4.080) 5.730 11.241 ( -4.335 -7.508 4.131) 9.604 11.470 ( -6.379 -11.049 4.167) 13.422 13.175 ( 4.025 6.972 6.788) 10.530 14.171 ( -3.907 -6.767 -0.248) 7.817 15.413 ( 2.591 4.488 0.248) 5.188 16.565 ( 8.714 15.094 -1.226) 17.472 17.286 ( -0.430 -0.744 3.321) 3.431 17.914 ( -3.487 -6.040 2.216) 7.318 18.175 ( -4.800 -8.313 6.483) 11.583 18.975 ( 13.079 22.654 -2.183) 26.249 20.147 ( -1.966 -3.405 -2.908) 4.890 20.423 ( -7.168 -12.415 -2.294) 14.518 21.366 ( -0.124 -0.216 -1.971) 1.987 21.399 ( -0.941 -1.631 -0.861) 2.071 21.593 ( -0.504 -0.873 -8.253) 8.315 ======================= Grid point 199 (38/162) ======================= q-point: ( 0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.943 ( -0.267 27.056 6.637) 27.859 4.279 ( -4.548 7.527 15.391) 17.726 4.828 ( 14.688 9.312 6.050) 18.413 4.963 ( 0.644 -6.553 -0.915) 6.648 5.297 ( -15.800 -8.875 -9.276) 20.358 6.359 ( 4.760 5.132 -8.758) 11.212 7.343 ( 11.359 2.615 -9.525) 15.053 7.445 ( 2.847 -7.525 -7.135) 10.754 7.916 ( -7.080 -19.987 -2.617) 21.364 9.210 ( -1.366 4.507 -4.291) 6.371 9.428 ( 0.245 -3.296 0.780) 3.396 10.230 ( 11.608 26.863 2.757) 29.394 10.808 ( -33.402 3.978 4.640) 33.956 11.458 ( 17.865 -27.528 4.852) 33.173 13.268 ( -0.046 4.876 7.557) 8.994 14.079 ( 0.338 -5.427 -0.793) 5.495 15.471 ( -2.579 7.318 0.604) 7.783 16.830 ( 4.999 10.722 -1.269) 11.898 17.240 ( 0.618 -8.112 0.604) 8.158 17.838 ( -1.368 -0.121 5.328) 5.502 18.031 ( -1.176 -7.948 7.919) 11.281 19.404 ( 7.579 24.195 -0.487) 25.359 19.934 ( -17.060 -0.273 -4.814) 17.728 20.300 ( 9.155 -18.457 -2.080) 20.707 21.365 ( 0.071 -0.063 -1.536) 1.539 21.380 ( 0.234 -1.281 -1.046) 1.670 21.579 ( -0.461 -0.044 -9.792) 9.803 ======================= Grid point 205 (39/162) ======================= q-point: (-0.17 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -15.199 20.457 14.100) 29.126 2.161 ( -29.812 28.224 -2.561) 41.133 4.298 ( -42.422 53.824 5.714) 68.770 4.860 ( 11.092 -13.675 3.811) 18.015 5.595 ( 5.553 -9.554 -10.093) 14.966 6.306 ( 2.046 -2.761 12.695) 13.152 6.393 ( 0.075 4.861 4.539) 6.651 7.871 ( -3.512 1.266 -5.254) 6.445 7.937 ( -1.247 0.182 -2.122) 2.468 9.703 ( 9.638 -5.712 1.860) 11.357 10.175 ( -0.071 -6.088 3.040) 6.805 10.469 ( 10.723 -10.394 -2.893) 15.211 11.365 ( 25.547 1.885 -3.356) 25.835 11.891 ( -19.549 -15.820 -2.191) 25.244 12.528 ( -3.878 13.944 2.202) 14.640 14.600 ( -1.122 -10.390 -2.193) 10.678 15.237 ( 12.680 12.197 1.747) 17.680 15.601 ( -19.181 5.856 -0.911) 20.075 17.219 ( -2.434 -1.652 2.217) 3.683 17.724 ( -9.016 12.672 -1.742) 15.649 18.229 ( 1.208 -0.770 0.821) 1.652 18.497 ( -5.204 6.565 -30.567) 31.694 20.123 ( -0.831 2.319 -0.637) 2.544 20.774 ( 7.925 -17.401 -3.241) 19.393 21.417 ( 0.083 0.215 0.085) 0.246 21.580 ( 1.417 -2.875 -0.598) 3.260 22.048 ( 4.553 2.817 11.300) 12.505 ======================= Grid point 211 (40/162) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.311 ( -3.666 -6.349 15.276) 16.944 4.311 ( 3.666 6.349 15.276) 16.944 4.873 ( -1.474 -2.554 -4.965) 5.775 4.873 ( 1.474 2.554 -4.965) 5.775 5.245 ( -0.000 -0.000 -1.228) 1.228 6.412 ( -0.000 -0.000 -8.377) 8.377 7.322 ( -0.000 -0.000 -8.131) 8.131 7.548 ( -7.287 -12.621 -7.715) 16.490 7.548 ( 7.287 12.621 -7.715) 16.490 9.326 ( -3.128 -5.418 -2.276) 6.658 9.326 ( 3.128 5.418 -2.276) 6.658 10.785 ( -9.317 -16.138 4.666) 19.210 10.785 ( 9.317 16.138 4.666) 19.210 10.975 ( -0.000 -0.000 5.842) 5.842 13.317 ( -0.000 -0.000 7.963) 7.963 14.024 ( -0.000 -0.000 -1.017) 1.017 15.546 ( -0.000 -0.000 0.842) 0.842 17.047 ( -5.428 -9.402 -0.915) 10.895 17.047 ( 5.428 9.402 -0.915) 10.895 17.894 ( -2.681 -4.643 7.504) 9.222 17.894 ( 2.681 4.643 7.504) 9.222 19.803 ( -0.000 -0.000 4.244) 4.244 19.944 ( -3.371 -5.839 -5.610) 8.771 19.944 ( 3.371 5.839 -5.610) 8.771 21.366 ( -0.136 -0.236 -1.178) 1.209 21.366 ( 0.136 0.236 -1.178) 1.209 21.579 ( -0.000 -0.000 -10.981) 10.981 ======================= Grid point 218 (41/162) ======================= q-point: (-0.25 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -14.981 21.823 7.195) 27.431 2.917 ( -26.065 25.339 -5.086) 36.706 4.485 ( 11.431 -12.354 2.165) 16.970 5.321 ( -3.462 -8.908 -10.901) 14.497 5.656 ( -34.504 42.975 2.612) 55.174 6.326 ( -5.178 2.030 12.252) 13.455 6.355 ( 7.690 0.798 6.600) 10.165 7.907 ( -0.410 -0.177 -1.310) 1.384 8.019 ( -7.615 1.039 -4.098) 8.710 9.461 ( 11.964 -4.986 3.017) 13.308 10.058 ( 3.717 -15.194 0.952) 15.671 10.199 ( 8.878 -6.591 -2.251) 11.284 10.895 ( 31.160 2.531 -3.918) 31.507 12.065 ( -19.337 -16.801 -1.773) 25.677 12.708 ( -1.820 12.616 2.691) 13.027 14.521 ( -2.732 -12.580 -1.252) 12.934 15.129 ( 12.830 11.508 1.091) 17.269 16.016 ( -19.203 9.765 -1.179) 21.576 17.289 ( -7.690 -1.722 2.882) 8.391 18.021 ( -9.809 13.296 -3.599) 16.911 18.160 ( 4.548 -3.308 0.873) 5.691 18.517 ( 3.527 -1.930 -8.864) 9.734 20.103 ( 5.640 -0.064 -1.178) 5.762 20.571 ( -1.723 -11.565 -11.051) 16.089 21.412 ( 0.638 0.142 -0.152) 0.671 21.526 ( 1.353 -3.174 -1.015) 3.597 21.996 ( 5.717 4.527 9.626) 12.077 ======================= Grid point 219 (42/162) ======================= q-point: (-0.17 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -14.807 25.646 4.624) 29.972 2.814 ( -20.609 35.696 -4.222) 41.434 4.541 ( 9.372 -16.233 2.582) 18.922 5.185 ( -6.780 11.744 -11.282) 17.640 5.603 ( -18.693 32.378 6.020) 37.868 6.297 ( -1.199 2.077 10.290) 10.566 6.428 ( 1.110 -1.922 7.475) 7.798 7.916 ( 1.122 -1.943 -0.925) 2.426 7.941 ( -2.993 5.183 -5.834) 8.358 9.547 ( 5.772 -9.997 3.939) 12.197 9.994 ( 6.719 -11.637 2.398) 13.650 10.254 ( 6.079 -10.529 -2.689) 12.451 11.390 ( 4.264 -7.385 -2.017) 8.763 11.605 ( 3.524 -6.103 -5.041) 8.665 12.758 ( -5.497 9.522 2.468) 11.268 14.430 ( 4.113 -7.124 -1.343) 8.335 15.347 ( 0.065 -0.112 1.628) 1.633 15.852 ( -10.762 18.641 -1.959) 21.614 17.206 ( -0.466 0.807 2.487) 2.656 18.006 ( -8.477 14.683 -3.609) 17.334 18.184 ( 2.331 -4.038 1.116) 4.795 18.539 ( 0.867 -1.501 -10.944) 11.080 20.169 ( -0.942 1.632 -1.338) 2.311 20.478 ( 6.961 -12.056 -11.227) 17.885 21.419 ( 0.074 -0.128 0.026) 0.150 21.521 ( 1.671 -2.895 -0.001) 3.343 22.071 ( 0.074 -0.128 10.152) 10.153 ======================= Grid point 231 (43/162) ======================= q-point: (-0.33 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -10.197 22.440 4.583) 25.071 3.496 ( -12.967 18.752 -8.318) 24.269 4.211 ( 4.562 -12.147 -1.140) 13.025 5.210 ( -1.051 -5.516 -2.748) 6.251 6.098 ( 16.096 -2.920 9.539) 18.937 6.373 ( -5.031 8.886 -4.513) 11.164 6.909 ( -43.970 31.436 9.296) 54.845 7.917 ( -2.326 -2.303 0.267) 3.284 8.184 ( -9.476 1.329 -2.574) 9.909 9.209 ( 11.353 -4.664 1.071) 12.320 9.745 ( 12.566 -19.444 -0.703) 23.162 10.000 ( 9.039 -6.440 -1.126) 11.156 10.412 ( 27.285 7.621 -2.879) 28.475 12.211 ( -17.270 -17.662 -1.008) 24.723 12.839 ( -0.014 10.551 2.564) 10.858 14.444 ( -3.390 -13.163 -0.714) 13.611 15.039 ( 11.417 12.842 0.304) 17.186 16.425 ( -16.220 9.624 -0.930) 18.883 17.438 ( -11.695 -2.794 3.368) 12.487 18.013 ( 6.950 -5.108 1.665) 8.784 18.264 ( -4.319 0.626 -1.525) 4.623 18.427 ( 3.615 7.337 -4.038) 9.122 19.951 ( 9.126 -1.859 -3.806) 10.061 20.569 ( -7.222 -7.805 -10.939) 15.256 21.402 ( 0.704 0.165 -0.419) 0.836 21.472 ( 1.395 -2.726 -1.449) 3.387 21.947 ( 5.664 5.494 9.163) 12.092 ======================= Grid point 232 (44/162) ======================= q-point: (-0.25 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -12.962 26.495 -0.595) 29.501 3.502 ( -17.685 32.601 -5.464) 37.489 4.227 ( 10.120 -12.742 0.442) 16.277 5.099 ( 0.291 -11.198 -8.052) 13.795 6.290 ( 9.267 -3.493 8.380) 12.973 6.368 ( -4.571 6.521 -0.802) 8.004 6.587 ( -32.903 39.190 13.697) 52.972 7.864 ( 0.636 -4.293 0.772) 4.408 8.068 ( -5.958 3.596 -4.364) 8.214 9.325 ( 8.725 -8.143 2.441) 12.182 9.718 ( 8.244 -17.989 0.334) 19.791 10.080 ( 5.297 -3.928 -1.019) 6.672 11.020 ( 31.634 8.015 -3.207) 32.791 11.678 ( -20.680 -22.241 -3.704) 30.595 12.914 ( -2.521 8.373 2.056) 8.983 14.308 ( 0.906 -9.043 -0.845) 9.128 15.315 ( 6.531 7.064 0.696) 9.646 16.255 ( -15.513 14.413 -1.457) 21.225 17.258 ( -5.516 -0.857 2.771) 6.232 18.066 ( 5.360 -6.153 1.507) 8.299 18.217 ( -2.257 1.196 -1.950) 3.213 18.533 ( -1.279 8.388 -4.626) 9.664 20.115 ( 9.927 1.229 -4.397) 10.926 20.353 ( -6.216 -10.773 -11.378) 16.857 21.412 ( 0.468 -0.185 -0.057) 0.507 21.469 ( 1.283 -2.458 0.106) 2.774 22.055 ( 2.410 1.704 9.717) 10.155 ======================= Grid point 244 (45/162) ======================= q-point: (-0.42 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 1.106 21.882 3.451) 22.180 3.656 ( 2.516 1.961 1.441) 3.500 4.140 ( -4.722 -6.407 -21.228) 22.671 5.336 ( -12.585 7.410 7.239) 16.300 5.718 ( 20.476 -6.609 11.863) 24.570 6.496 ( -1.322 4.706 -2.589) 5.532 7.888 ( -30.015 18.914 -0.737) 35.484 7.939 ( -7.739 -3.842 2.891) 9.111 8.330 ( -6.684 -4.106 1.513) 7.989 9.011 ( 6.849 -0.918 -4.516) 8.255 9.225 ( 22.266 -15.634 -1.255) 27.236 9.815 ( 9.803 6.382 1.664) 11.815 10.179 ( 8.371 4.554 -1.868) 9.711 12.297 ( -13.752 -19.201 -0.369) 23.620 12.912 ( 2.571 8.276 2.352) 8.980 14.389 ( -5.095 -12.039 -0.603) 13.087 14.994 ( 9.453 14.133 -0.044) 17.003 16.715 ( -7.073 5.271 -0.823) 8.860 17.595 ( -10.137 -6.861 2.902) 12.580 17.866 ( 3.423 -3.259 3.612) 5.949 18.173 ( 2.324 -7.243 4.288) 8.732 18.556 ( 1.675 13.768 -10.102) 17.159 19.808 ( 5.276 0.328 -3.510) 6.345 20.615 ( -6.560 -8.328 -10.230) 14.732 21.394 ( 0.391 0.270 -0.560) 0.735 21.432 ( 0.573 -1.397 -1.655) 2.240 21.916 ( 4.630 6.392 9.070) 12.023 ======================= Grid point 245 (46/162) ======================= q-point: (-0.33 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( -8.601 25.204 -1.836) 26.695 3.875 ( 13.778 9.794 -0.764) 16.922 4.040 ( -5.342 5.412 -13.857) 15.806 5.129 ( -14.135 -2.415 1.557) 14.424 5.974 ( 17.771 -9.885 10.736) 22.995 6.504 ( -3.634 5.889 0.906) 6.979 7.499 ( -32.461 24.133 7.292) 41.101 7.824 ( -2.433 -6.299 2.013) 7.047 8.183 ( -5.223 -2.501 -0.357) 5.802 9.125 ( 7.267 -2.328 -3.043) 8.215 9.373 ( 12.007 -14.720 -3.514) 19.318 10.009 ( 3.650 5.833 1.530) 7.049 10.559 ( 28.578 6.639 -2.340) 29.433 11.796 ( -19.165 -24.067 -2.582) 30.874 13.011 ( 0.046 6.822 1.575) 7.001 14.222 ( -1.639 -9.238 -0.716) 9.410 15.280 ( 7.785 11.095 0.242) 13.556 16.626 ( -11.768 10.745 -0.907) 15.962 17.359 ( -8.411 -4.637 2.581) 9.945 17.901 ( 5.538 -5.873 2.681) 8.506 18.131 ( 2.843 -9.254 3.416) 10.266 18.731 ( -1.796 17.978 -10.329) 20.812 19.937 ( 9.623 0.196 -4.641) 10.686 20.389 ( -8.404 -10.362 -9.190) 16.200 21.403 ( 0.432 -0.044 -0.128) 0.453 21.430 ( 0.823 -1.471 -0.020) 1.686 22.032 ( 2.973 3.179 9.611) 10.550 ======================= Grid point 246 (47/162) ======================= q-point: (-0.25 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( -12.496 21.643 -7.143) 25.992 3.978 ( 4.599 -7.966 -5.372) 10.652 4.175 ( -16.467 28.522 -0.975) 32.949 4.926 ( 2.399 -4.156 -3.946) 6.213 6.087 ( 8.971 -15.538 9.601) 20.349 6.499 ( -3.974 6.883 2.957) 8.481 7.333 ( -18.525 32.086 9.028) 38.134 7.764 ( 2.788 -4.828 2.909) 6.289 8.123 ( -0.522 0.904 -1.202) 1.592 9.183 ( 2.930 -5.074 -3.675) 6.917 9.392 ( 7.983 -13.827 -2.052) 16.097 10.066 ( -1.794 3.108 1.680) 3.963 11.141 ( 4.137 -7.166 -0.112) 8.275 11.222 ( 7.251 -12.559 -6.677) 15.965 13.046 ( -2.882 4.991 1.320) 5.913 14.161 ( 3.358 -5.816 -0.710) 6.753 15.416 ( -2.027 3.510 0.359) 4.069 16.567 ( -9.378 16.243 -1.030) 18.784 17.259 ( -0.325 0.563 2.403) 2.489 17.923 ( 4.385 -7.595 2.315) 9.071 18.105 ( 4.998 -8.656 3.166) 10.485 18.809 ( -9.011 15.607 -9.998) 20.610 20.126 ( 3.919 -6.787 -11.701) 14.083 20.157 ( 1.395 -2.416 -2.439) 3.705 21.406 ( 0.195 -0.338 0.035) 0.391 21.430 ( 0.836 -1.448 0.520) 1.751 22.074 ( -0.216 0.375 9.782) 9.792 ======================= Grid point 256 (48/162) ======================= q-point: (-0.42 0.58 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 10.780 18.672 -0.448) 21.565 3.680 ( 1.549 2.683 -1.813) 3.589 4.139 ( 5.012 8.681 -20.101) 22.462 5.444 ( -2.631 -4.556 5.507) 7.616 5.583 ( -0.224 -0.387 12.828) 12.836 6.572 ( 1.741 3.015 0.173) 3.485 7.802 ( -4.527 -7.841 3.295) 9.635 8.088 ( -1.544 -2.674 1.575) 3.466 8.099 ( -6.830 -11.830 10.017) 16.939 9.095 ( 1.448 2.507 -3.073) 4.222 9.100 ( 3.203 5.548 -12.864) 14.371 10.045 ( 8.966 15.530 3.055) 18.191 10.290 ( 4.717 8.171 -1.158) 9.506 11.843 ( -15.200 -26.328 -2.187) 30.480 13.045 ( 2.922 5.061 1.378) 6.004 14.189 ( -4.583 -7.939 -0.723) 9.195 15.269 ( 7.381 12.784 0.128) 14.762 16.799 ( 1.909 3.307 -0.659) 3.875 17.413 ( -5.742 -9.946 1.857) 11.634 17.816 ( -0.868 -1.503 4.069) 4.423 18.042 ( -3.346 -5.795 4.106) 7.851 18.850 ( 8.238 14.268 -13.255) 21.146 19.844 ( 1.958 3.391 -2.686) 4.748 20.412 ( -6.786 -11.753 -8.857) 16.206 21.398 ( 0.110 0.190 -0.136) 0.258 21.415 ( -0.247 -0.429 -0.110) 0.507 22.021 ( 2.375 4.113 9.599) 10.709 ======================= Grid point 258 (49/162) ======================= q-point: (-0.33 0.58 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.550 ( -7.876 13.159 -10.309) 18.479 3.794 ( 7.337 -5.608 -7.460) 11.872 4.534 ( 13.031 31.444 -4.044) 34.277 5.116 ( -26.801 0.742 4.049) 27.115 5.685 ( 16.317 -19.756 7.871) 26.805 6.612 ( -1.450 4.503 2.145) 5.194 7.674 ( -1.760 -4.764 4.602) 6.854 7.833 ( -13.193 7.482 11.056) 18.769 8.074 ( 2.536 -7.394 5.068) 9.316 9.141 ( 1.222 2.822 -9.107) 9.612 9.200 ( 4.174 -3.565 -7.728) 9.480 10.238 ( -6.684 17.898 1.954) 19.205 10.664 ( 30.652 3.801 -1.931) 30.947 11.271 ( -19.190 -28.451 -2.935) 34.443 13.112 ( 0.009 3.423 0.864) 3.530 14.081 ( -0.416 -4.888 -0.706) 4.956 15.461 ( 2.581 6.701 0.188) 7.184 16.848 ( -4.911 11.579 -0.410) 12.584 17.250 ( -1.999 -6.899 1.351) 7.309 17.808 ( 1.880 -2.526 3.707) 4.864 17.952 ( 1.447 -8.270 4.191) 9.384 19.065 ( -1.200 14.348 -15.391) 21.075 19.952 ( 7.894 1.291 -3.947) 8.920 20.173 ( -6.991 -10.722 -5.519) 13.939 21.401 ( 0.124 -0.028 0.176) 0.217 21.410 ( 0.244 -0.622 0.500) 0.834 22.077 ( 0.816 1.449 9.823) 9.963 ======================= Grid point 271 (50/162) ======================= q-point: (-0.33 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.706 ( -2.183 -3.782 -11.597) 12.392 3.706 ( 2.183 3.782 -11.597) 12.392 5.102 ( -6.199 -10.737 5.346) 13.502 5.102 ( 6.199 10.738 5.346) 13.502 5.272 ( -0.000 -0.000 -0.039) 0.039 6.661 ( 0.000 0.000 2.372) 2.372 7.619 ( -0.000 -0.000 4.852) 4.852 7.941 ( -2.683 -4.647 10.718) 11.987 7.941 ( 2.683 4.647 10.718) 11.987 9.176 ( -0.049 -0.085 -9.909) 9.910 9.176 ( 0.049 0.085 -9.909) 9.910 10.702 ( -0.000 -0.000 -6.029) 6.029 10.703 ( -8.708 -15.083 1.049) 17.447 10.703 ( 8.708 15.083 1.049) 17.447 13.146 ( 0.000 0.000 0.606) 0.606 14.032 ( 0.000 0.000 -0.696) 0.696 15.530 ( 0.000 0.000 0.152) 0.152 17.074 ( -5.328 -9.229 0.312) 10.662 17.074 ( 5.328 9.229 0.312) 10.662 17.824 ( -2.026 -3.509 4.236) 5.862 17.824 ( 2.026 3.509 4.236) 5.862 19.227 ( 0.000 0.000 -19.407) 19.407 20.006 ( -2.600 -4.503 -2.745) 5.879 20.006 ( 2.600 4.503 -2.745) 5.879 21.403 ( -0.099 -0.171 0.456) 0.497 21.403 ( 0.099 0.171 0.456) 0.497 22.091 ( 0.000 0.000 9.886) 9.886 ======================= Grid point 314 (51/162) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.000 -0.000 29.678) 29.678 1.276 ( 0.000 0.000 29.678) 29.678 2.142 ( 0.000 0.000 48.293) 48.293 5.486 ( -0.000 0.000 -8.040) 8.040 5.486 ( -0.000 -0.000 -8.040) 8.040 5.976 ( 0.000 -0.000 1.797) 1.797 7.699 ( 0.000 0.000 -6.800) 6.800 7.699 ( 0.000 -0.000 -6.800) 6.800 7.995 ( 0.000 -0.000 11.419) 11.419 10.268 ( -0.000 0.000 3.553) 3.553 10.268 ( 0.000 0.000 3.553) 3.553 10.546 ( 0.000 0.000 -13.192) 13.192 10.908 ( 0.000 0.000 -4.403) 4.403 11.957 ( 0.000 0.000 0.482) 0.482 11.957 ( 0.000 -0.000 0.482) 0.482 14.827 ( 0.000 0.000 -4.086) 4.086 14.827 ( 0.000 -0.000 -4.086) 4.086 15.399 ( 0.000 0.000 5.665) 5.665 15.399 ( 0.000 -0.000 5.665) 5.665 17.307 ( 0.000 0.000 1.630) 1.630 17.307 ( -0.000 -0.000 1.630) 1.630 18.220 ( 0.000 -0.000 2.312) 2.312 19.995 ( 0.000 0.000 -1.297) 1.297 21.404 ( 0.000 0.000 1.729) 1.729 21.649 ( 0.000 0.000 -1.480) 1.480 21.649 ( -0.000 0.000 -1.480) 1.480 22.678 ( 0.000 -0.000 -1.241) 1.241 ======================= Grid point 315 (52/162) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 6.989 29.757 21.437) 37.334 1.788 ( 19.884 7.973 30.738) 37.467 2.425 ( 36.992 8.624 32.530) 50.010 5.294 ( -4.442 -15.452 -6.905) 17.498 5.620 ( -3.906 15.682 -7.196) 17.691 6.073 ( 10.249 -0.939 -1.044) 10.345 7.254 ( -25.825 -22.177 15.229) 37.292 7.724 ( -0.523 5.487 -6.301) 8.371 7.899 ( -3.853 4.570 1.204) 6.098 9.955 ( -9.018 -7.345 -2.569) 11.911 10.260 ( 2.055 -4.948 3.380) 6.335 10.793 ( -6.337 -4.253 -5.472) 9.391 11.338 ( 24.028 14.718 -11.385) 30.390 11.920 ( -2.148 8.671 -1.150) 9.007 12.026 ( 7.875 -2.862 0.335) 8.385 14.796 ( -5.891 7.656 -4.133) 10.507 14.951 ( 7.726 0.891 -2.880) 8.293 15.395 ( 4.938 -6.784 4.268) 9.414 16.145 ( 52.512 34.079 -25.522) 67.604 17.298 ( -0.732 0.118 2.244) 2.363 17.368 ( 5.142 3.065 0.965) 6.064 18.234 ( 1.140 0.407 2.019) 2.354 20.017 ( 1.758 1.085 -1.262) 2.421 21.396 ( -1.288 -0.804 1.276) 1.983 21.560 ( -9.728 -1.466 -1.268) 9.919 21.634 ( -0.977 -1.085 -1.462) 2.066 22.465 ( -13.039 -11.536 5.743) 18.332 ======================= Grid point 316 (53/162) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 18.687 28.167 10.058) 35.267 2.054 ( 5.743 13.732 29.957) 33.451 3.458 ( 58.959 16.346 9.412) 61.903 5.057 ( -5.929 -12.311 -0.012) 13.664 5.613 ( -11.782 9.636 -8.059) 17.222 6.244 ( 11.117 -4.354 -1.673) 12.056 6.750 ( -12.503 -10.790 18.146) 24.536 7.794 ( 1.465 7.153 -5.440) 9.105 7.898 ( -2.094 3.895 -1.974) 4.843 9.741 ( -6.683 -10.516 -2.796) 12.770 10.244 ( 1.975 -5.431 2.541) 6.313 10.565 ( -12.283 -7.799 -4.904) 15.354 11.372 ( -14.463 -4.188 -3.531) 15.466 12.131 ( 0.624 18.078 -1.215) 18.130 12.216 ( 20.149 -3.664 0.522) 20.486 14.768 ( -6.050 7.647 -3.667) 10.417 15.038 ( 2.777 -5.231 1.810) 6.193 15.498 ( 11.059 3.270 0.114) 11.533 17.288 ( 17.863 10.833 -14.124) 25.217 17.325 ( 23.778 15.565 -19.748) 34.607 17.539 ( 9.552 6.558 -2.731) 11.904 18.251 ( 0.422 -0.452 1.491) 1.615 20.070 ( 2.511 1.671 -1.215) 3.252 21.181 ( -22.293 -4.217 0.192) 22.689 21.429 ( -2.008 -0.016 0.283) 2.028 21.597 ( -1.874 -1.414 -1.524) 2.799 22.175 ( -4.403 -13.343 8.674) 16.512 ======================= Grid point 317 (54/162) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 9.537 13.473 21.483) 27.092 2.527 ( 19.829 23.954 -0.234) 31.097 4.516 ( 31.288 10.509 -4.401) 33.298 4.967 ( 16.682 1.824 8.410) 18.771 5.431 ( -14.401 1.801 -7.804) 16.478 6.324 ( 5.381 -9.145 0.252) 10.613 6.602 ( 1.001 -0.074 16.467) 16.498 7.888 ( -1.266 4.413 -1.498) 4.829 7.929 ( 4.097 6.273 -4.707) 8.848 9.515 ( -6.275 -12.206 -0.914) 13.755 10.196 ( -2.385 -12.200 -1.369) 12.506 10.256 ( -11.359 -4.378 -3.353) 12.627 10.971 ( -24.694 -6.344 -3.222) 25.699 12.302 ( 3.481 10.649 -0.709) 11.226 12.509 ( 13.133 3.202 4.423) 14.223 14.743 ( -5.707 7.843 -2.859) 10.113 14.953 ( -1.817 -11.011 2.811) 11.508 15.818 ( 16.677 10.005 -1.327) 19.494 17.376 ( 4.471 3.861 4.915) 7.684 17.758 ( 10.408 7.661 -3.178) 13.308 18.035 ( 19.860 12.468 -24.331) 33.792 18.231 ( -1.082 -1.629 0.568) 2.036 20.112 ( -0.229 0.251 -0.661) 0.743 20.730 ( -22.490 -2.447 -3.750) 22.932 21.404 ( -0.793 -0.974 -0.346) 1.303 21.544 ( -2.555 -1.597 -1.765) 3.492 22.030 ( 0.952 -11.951 6.738) 13.753 ======================= Grid point 318 (55/162) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 9.676 12.733 14.204) 21.390 3.051 ( 17.019 17.327 -9.114) 25.941 4.557 ( -12.149 2.259 7.699) 14.559 5.228 ( -6.485 0.234 -5.456) 8.478 5.730 ( 38.609 7.415 -8.408) 40.203 6.247 ( -1.749 -13.152 3.907) 13.831 6.794 ( 17.826 10.081 14.090) 24.858 7.906 ( 1.293 0.972 -1.116) 1.965 8.106 ( 6.592 9.323 -2.779) 11.752 9.285 ( -7.662 -10.383 0.702) 12.923 9.880 ( -11.562 -12.451 -5.830) 17.964 10.150 ( -0.497 -10.635 -1.620) 10.769 10.430 ( -31.802 -2.656 -1.745) 31.961 12.458 ( 3.417 8.448 0.247) 9.116 12.728 ( 7.946 4.521 5.964) 10.916 14.723 ( -8.749 12.052 -1.470) 14.965 14.800 ( 1.016 -16.071 1.188) 16.147 16.219 ( 17.096 10.535 -1.202) 20.117 17.525 ( 7.597 4.475 5.443) 10.362 18.007 ( 8.385 8.519 -7.096) 13.901 18.125 ( -4.102 -2.861 2.120) 5.432 18.370 ( 6.410 4.963 -5.819) 9.979 19.985 ( -11.707 -5.253 -1.501) 12.919 20.487 ( -5.904 4.104 -11.000) 13.141 21.381 ( -0.429 -1.356 -0.815) 1.639 21.479 ( -2.852 -1.898 -1.985) 3.959 21.950 ( 2.569 -10.716 5.529) 12.329 ======================= Grid point 319 (56/162) ======================= q-point: ( 0.42 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 5.518 6.090 7.846) 11.362 3.472 ( 12.846 17.839 -12.846) 25.461 4.280 ( -21.691 1.967 4.641) 22.269 5.279 ( 10.728 1.577 2.732) 11.182 6.007 ( -8.478 -15.176 9.954) 20.032 6.202 ( 14.158 0.055 -9.741) 17.186 7.404 ( 34.264 12.155 1.171) 36.375 7.954 ( 3.822 0.107 -1.270) 4.029 8.302 ( 5.100 4.302 -1.550) 6.849 9.058 ( -8.629 -2.544 0.236) 9.000 9.599 ( -11.963 -9.175 -0.938) 15.105 9.809 ( -18.625 -14.391 -1.030) 23.559 10.088 ( -7.572 2.088 -2.361) 8.201 12.576 ( 1.643 5.888 1.421) 6.276 12.868 ( 3.061 4.512 6.238) 8.285 14.638 ( -7.335 2.535 0.857) 7.808 14.737 ( 2.338 -5.206 -1.649) 5.940 16.572 ( 12.314 7.367 -1.252) 14.403 17.689 ( 6.455 0.996 3.144) 7.249 18.006 ( -2.671 -3.205 4.425) 6.082 18.225 ( 4.278 9.558 -7.329) 12.782 18.422 ( -3.946 3.400 5.738) 7.749 19.731 ( -8.590 -5.815 -6.552) 12.269 20.500 ( -0.684 5.319 -12.818) 13.895 21.365 ( 0.030 -1.166 -1.151) 1.639 21.416 ( -1.946 -1.871 -1.811) 3.251 21.903 ( 3.680 -9.588 5.020) 11.431 ======================= Grid point 320 (57/162) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -0.397 0.687 4.413) 4.484 3.819 ( -6.704 11.611 -25.708) 28.994 3.947 ( -5.252 9.097 15.710) 18.899 5.479 ( 3.819 -6.614 0.650) 7.665 5.766 ( 3.302 -5.720 17.269) 18.488 6.316 ( 2.527 -4.377 -8.323) 9.738 7.844 ( 3.616 -6.263 -4.003) 8.266 8.128 ( 7.617 -13.193 -10.113) 18.285 8.201 ( -1.826 3.162 -0.139) 3.654 9.111 ( 0.581 -1.007 3.131) 3.340 9.211 ( -10.986 19.029 6.458) 22.902 9.631 ( 4.305 -7.457 -1.273) 8.704 10.032 ( -0.334 0.579 -3.612) 3.674 12.621 ( -1.861 3.223 1.951) 4.202 12.918 ( -1.643 2.846 6.227) 7.041 14.583 ( -1.334 2.310 0.511) 2.716 14.733 ( 1.273 -2.205 -1.554) 2.983 16.728 ( -0.005 0.009 -1.433) 1.433 17.734 ( 1.496 -2.590 -0.145) 2.995 17.985 ( 2.085 -3.612 7.370) 8.469 18.343 ( -1.273 2.204 9.300) 9.642 18.358 ( -7.103 12.303 -7.290) 15.968 19.624 ( 1.472 -2.550 -7.794) 8.331 20.525 ( -2.381 4.124 -13.476) 14.293 21.359 ( 0.416 -0.720 -1.487) 1.704 21.388 ( 0.527 -0.913 -1.402) 1.754 21.887 ( 4.984 -8.633 4.876) 11.097 ======================= Grid point 328 (58/162) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 10.569 18.306 24.130) 32.079 2.178 ( 15.348 26.583 17.693) 35.430 2.902 ( 25.042 43.375 15.813) 52.522 5.025 ( -6.686 -11.581 -2.992) 13.703 5.852 ( 2.851 4.939 -5.465) 7.898 6.046 ( -0.078 -0.135 -3.078) 3.082 6.810 ( -10.485 -18.160 16.068) 26.418 7.809 ( 2.536 4.392 -5.789) 7.697 7.975 ( 1.006 1.743 0.725) 2.140 9.745 ( -7.011 -12.144 -3.350) 14.417 10.166 ( -2.572 -4.454 2.386) 5.670 10.635 ( -6.382 -11.054 -5.040) 13.723 11.612 ( 4.381 7.588 -4.713) 9.949 11.851 ( -3.871 -6.705 0.637) 7.768 12.252 ( 9.835 17.034 -1.352) 19.715 14.808 ( -2.507 -4.342 -2.051) 5.417 15.164 ( 8.567 14.839 -4.124) 17.623 15.286 ( -1.162 -2.012 3.423) 4.137 17.054 ( 27.389 47.439 -38.359) 66.873 17.298 ( 0.127 0.220 3.276) 3.286 17.501 ( 5.961 10.325 -1.111) 11.974 18.243 ( 0.121 0.209 1.594) 1.612 20.056 ( 1.543 2.672 -1.256) 3.332 21.336 ( -4.216 -7.303 -0.712) 8.463 21.496 ( -2.697 -4.671 -2.185) 5.819 21.596 ( -1.383 -2.395 -1.400) 3.100 22.134 ( -9.957 -17.246 12.024) 23.263 ======================= Grid point 329 (59/162) ======================= q-point: ( 0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 11.446 17.463 20.062) 28.956 2.641 ( 6.407 33.167 9.072) 34.977 3.955 ( 45.577 33.126 -0.750) 56.348 4.844 ( -1.998 -8.705 3.671) 9.656 5.752 ( -16.177 3.917 -4.468) 17.234 6.099 ( 8.737 -10.366 -2.953) 13.875 6.597 ( -1.822 -3.035 14.574) 14.998 7.920 ( 4.093 6.506 -4.632) 8.974 7.967 ( -3.016 1.071 0.281) 3.213 9.505 ( -6.573 -11.627 -2.366) 13.564 10.064 ( -0.768 -12.038 0.509) 12.073 10.376 ( -10.243 -11.122 -5.160) 15.976 11.434 ( -25.875 8.044 -1.789) 27.156 11.961 ( 21.138 -14.173 -0.335) 25.451 12.563 ( 5.795 18.222 2.476) 19.281 14.708 ( -0.872 -9.385 -0.572) 9.443 15.160 ( -11.798 10.723 0.896) 15.968 15.583 ( 19.875 7.554 -2.096) 21.365 17.323 ( 2.689 0.653 4.528) 5.307 17.701 ( 10.408 14.515 -4.397) 18.394 17.878 ( 18.091 23.916 -28.027) 41.046 18.230 ( -0.940 -1.860 1.208) 2.409 20.111 ( 1.473 2.216 -1.350) 2.984 21.036 ( -17.792 -10.877 -4.379) 21.308 21.423 ( -2.592 -0.706 -0.563) 2.745 21.550 ( -0.805 -3.371 -1.826) 3.917 21.892 ( -1.131 -12.744 10.611) 16.622 ======================= Grid point 330 (60/162) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 8.852 21.190 14.971) 27.414 3.076 ( 7.418 30.326 -1.887) 31.277 4.674 ( 0.899 3.926 4.893) 6.337 5.081 ( 38.131 9.895 -3.631) 39.560 5.478 ( -14.355 3.137 -5.559) 15.710 6.087 ( 4.071 -14.545 0.002) 15.104 6.671 ( 7.760 7.047 12.214) 16.095 7.902 ( -2.176 -3.003 0.085) 3.710 8.087 ( 5.955 8.295 -2.866) 10.606 9.308 ( -5.516 -6.676 0.310) 8.665 9.861 ( -4.964 -19.732 -3.618) 20.666 10.105 ( -8.107 -10.433 -4.630) 14.000 11.020 ( -30.907 8.304 -0.864) 32.014 12.174 ( 18.921 -13.221 0.508) 23.088 12.813 ( 2.811 17.307 4.933) 18.215 14.594 ( 0.820 -13.370 0.029) 13.395 15.069 ( -11.830 12.312 0.124) 17.075 16.010 ( 19.004 10.265 -1.648) 21.662 17.405 ( 6.430 -0.277 5.150) 8.243 18.008 ( 8.153 16.509 -4.112) 18.867 18.158 ( -3.172 -2.981 0.863) 4.438 18.296 ( 9.649 9.802 -11.988) 18.245 20.107 ( -5.131 -0.634 -1.148) 5.296 20.650 ( -13.353 -6.072 -10.331) 17.941 21.381 ( -1.275 -1.328 -0.633) 1.947 21.497 ( -1.660 -3.187 -2.439) 4.343 21.794 ( 2.203 -10.576 7.614) 13.217 ======================= Grid point 331 (61/162) ======================= q-point: ( 0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 0.797 22.495 10.289) 24.749 3.497 ( 8.894 26.768 -9.207) 29.672 4.630 ( -11.596 4.843 10.162) 16.161 5.163 ( -2.241 -5.432 -3.614) 6.899 5.887 ( 25.157 6.919 -9.222) 27.673 5.946 ( -1.548 -15.995 4.555) 16.703 7.017 ( 22.391 10.468 4.514) 25.126 7.849 ( 2.555 -7.876 -0.680) 8.308 8.265 ( 5.066 5.729 -1.127) 7.730 9.169 ( -7.269 -1.639 1.789) 7.663 9.583 ( -3.394 -14.555 -4.354) 15.567 9.870 ( -7.445 -10.963 -4.538) 14.007 10.568 ( -31.304 10.030 0.810) 32.882 12.339 ( 15.442 -13.376 1.666) 20.497 12.998 ( -0.355 15.509 6.033) 16.645 14.478 ( 2.213 -14.585 -0.092) 14.752 15.004 ( -11.008 14.306 -0.320) 18.054 16.414 ( 15.771 9.366 -1.398) 18.396 17.520 ( 8.294 -3.630 3.862) 9.843 18.044 ( -4.717 -3.920 2.960) 6.810 18.277 ( 3.917 12.537 -3.062) 13.487 18.486 ( 3.962 9.415 0.154) 10.216 19.887 ( -14.790 -4.376 -4.995) 16.213 20.523 ( 0.348 -1.224 -13.760) 13.819 21.354 ( -0.301 -1.280 -1.018) 1.663 21.433 ( -2.194 -2.659 -2.509) 4.264 21.744 ( 3.272 -9.420 6.060) 11.669 ======================= Grid point 332 (62/162) ======================= q-point: ( 0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( -7.858 20.573 5.729) 22.755 3.917 ( 9.569 25.831 -10.102) 29.340 4.338 ( -24.733 4.007 2.713) 25.202 5.247 ( 13.343 -4.814 0.221) 14.186 5.696 ( -4.958 -15.297 14.890) 21.915 6.213 ( 7.911 0.826 -8.637) 11.741 7.543 ( 25.648 1.159 -5.141) 26.184 7.831 ( 7.090 -13.057 -4.067) 15.405 8.272 ( -4.749 -6.259 0.013) 7.857 9.058 ( -0.271 -2.538 -1.598) 3.011 9.512 ( 0.539 -1.333 0.877) 1.684 9.667 ( -11.819 8.705 -0.314) 14.682 10.203 ( -18.258 7.226 0.221) 19.637 12.431 ( 11.371 -14.824 2.485) 18.848 13.100 ( -4.427 13.067 6.447) 15.229 14.398 ( 4.952 -13.133 -0.465) 14.043 14.974 ( -9.738 15.383 -0.412) 18.211 16.693 ( 6.822 4.869 -1.433) 8.503 17.584 ( 6.209 -8.925 0.408) 10.880 17.957 ( -1.489 -1.496 6.088) 6.444 18.357 ( 0.356 0.158 8.555) 8.563 18.659 ( -4.157 20.808 -4.117) 21.615 19.631 ( -7.367 -3.961 -8.544) 11.957 20.543 ( 2.118 -1.569 -14.400) 14.639 21.346 ( 0.425 -0.643 -1.417) 1.613 21.380 ( -1.085 -1.694 -2.111) 2.916 21.719 ( 4.210 -8.559 5.387) 10.955 ======================= Grid point 341 (63/162) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 12.837 22.235 13.086) 28.817 3.228 ( 14.991 25.966 4.316) 30.292 4.691 ( 21.998 38.101 -10.034) 45.125 4.723 ( -1.733 -3.002 8.772) 9.432 5.731 ( -4.803 -8.319 1.462) 9.717 5.882 ( -4.788 -8.292 -6.727) 11.702 6.642 ( 4.037 6.992 11.322) 13.905 7.910 ( -3.593 -6.223 0.737) 7.223 8.074 ( 5.002 8.664 -2.848) 10.402 9.331 ( -2.958 -5.123 -0.166) 5.917 9.783 ( -9.418 -16.312 -2.208) 18.964 10.134 ( -7.329 -12.694 -5.754) 15.747 11.555 ( -3.779 -6.546 1.863) 7.785 11.715 ( -0.533 -0.923 -2.528) 2.744 12.879 ( 7.989 13.837 4.953) 16.727 14.517 ( -5.374 -9.309 0.373) 10.755 15.278 ( 1.038 1.797 0.320) 2.100 15.854 ( 10.667 18.476 -2.334) 21.462 17.345 ( 1.038 1.799 5.471) 5.852 18.020 ( 10.058 17.421 -3.622) 20.439 18.172 ( -2.338 -4.049 1.380) 4.875 18.259 ( 7.981 13.824 -14.735) 21.724 20.146 ( 0.525 0.909 -2.087) 2.336 20.754 ( -9.502 -16.457 -10.317) 21.623 21.394 ( -1.270 -2.200 -0.911) 2.699 21.480 ( -1.763 -3.054 -1.006) 3.668 21.715 ( -3.287 -5.693 8.246) 10.546 ======================= Grid point 342 (64/162) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 9.972 25.588 7.874) 28.569 3.681 ( 6.412 29.440 -1.378) 30.162 4.714 ( 1.686 1.685 12.874) 13.093 5.250 ( -1.007 4.012 -8.874) 9.791 5.602 ( 9.491 10.381 -6.313) 15.417 5.767 ( 3.058 -16.487 -0.747) 16.785 6.845 ( 9.708 9.103 5.332) 14.336 7.753 ( -3.304 -11.331 -0.083) 11.804 8.241 ( 4.461 6.279 -0.371) 7.711 9.290 ( -6.237 2.272 1.961) 6.922 9.458 ( -1.814 -17.319 -4.126) 17.896 9.902 ( -6.507 -8.602 -5.981) 12.333 11.212 ( -30.238 9.740 1.323) 31.796 11.863 ( 20.365 -18.021 0.357) 27.196 13.113 ( 3.841 12.851 6.426) 14.873 14.348 ( -2.346 -11.124 -0.051) 11.369 15.285 ( -5.607 8.980 0.155) 10.588 16.244 ( 15.059 13.456 -1.939) 20.288 17.391 ( 3.398 -0.936 5.071) 6.176 18.073 ( -3.631 -4.788 2.710) 6.592 18.318 ( 3.967 9.053 -1.289) 9.968 18.490 ( 8.509 14.139 -3.709) 16.914 20.095 ( -9.498 -0.491 -3.751) 10.224 20.475 ( -3.238 -11.630 -15.000) 19.255 21.352 ( -1.033 -1.442 -0.879) 1.979 21.429 ( -0.930 -3.079 -1.335) 3.483 21.634 ( -0.042 -5.780 5.573) 8.030 ======================= Grid point 343 (65/162) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( -1.840 27.654 5.106) 28.181 4.062 ( 5.436 28.579 -4.294) 29.406 4.746 ( -9.912 6.819 9.704) 15.457 5.040 ( -2.868 -6.792 -5.863) 9.420 5.592 ( -1.323 -17.651 7.989) 19.420 6.047 ( 15.989 7.976 -8.859) 19.944 7.153 ( 19.132 3.241 -2.931) 19.624 7.607 ( 1.998 -14.897 -2.026) 15.166 8.258 ( -3.619 -9.467 1.564) 10.255 9.069 ( -5.178 -5.846 -7.039) 10.514 9.481 ( 0.815 -1.195 0.168) 1.456 9.838 ( 2.278 12.592 -0.840) 12.824 10.757 ( -32.603 8.563 2.397) 33.794 12.002 ( 17.683 -20.472 1.882) 27.117 13.263 ( -0.267 10.926 7.199) 13.087 14.225 ( 0.988 -10.778 -0.689) 10.845 15.276 ( -7.733 12.687 0.214) 14.860 16.599 ( 11.701 9.577 -1.673) 15.213 17.417 ( 3.271 -6.688 2.234) 7.773 17.979 ( -2.558 -1.962 5.992) 6.804 18.342 ( -0.701 -3.149 8.539) 9.128 18.844 ( 7.844 22.949 -5.734) 24.922 19.821 ( -17.401 -2.214 -8.293) 19.403 20.418 ( 5.854 -9.603 -14.224) 18.133 21.335 ( 0.105 -0.567 -1.268) 1.393 21.384 ( -1.295 -1.973 -1.699) 2.908 21.592 ( 1.762 -5.922 4.377) 7.572 ======================= Grid point 344 (66/162) ======================= q-point: ( 0.42 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( -14.594 25.278 3.720) 29.425 4.425 ( -7.427 12.864 18.500) 23.726 4.469 ( -11.735 20.325 -22.633) 32.605 5.076 ( 6.978 -12.087 -6.393) 15.351 5.447 ( 5.392 -9.338 19.792) 22.539 6.223 ( 0.135 -0.235 -7.734) 7.739 7.450 ( 6.570 -11.380 -4.846) 14.005 7.519 ( 8.102 -14.033 -6.247) 17.366 8.074 ( 6.967 -12.067 1.835) 14.054 9.033 ( -1.013 1.754 -6.340) 6.656 9.439 ( 2.032 -3.519 -3.994) 5.698 10.092 ( -13.108 22.704 5.236) 26.734 10.381 ( -8.190 14.185 2.189) 16.525 12.054 ( 13.277 -22.996 2.401) 26.661 13.315 ( -4.819 8.347 7.456) 12.185 14.178 ( 5.072 -8.785 -0.984) 10.192 15.273 ( -8.068 13.974 0.253) 16.138 16.767 ( -1.529 2.648 -1.491) 3.401 17.395 ( 5.380 -9.319 0.035) 10.761 17.952 ( -0.599 1.038 8.088) 8.176 18.309 ( 2.309 -4.000 11.665) 12.546 19.084 ( -11.105 19.235 -6.305) 23.088 19.600 ( -1.275 2.208 -9.752) 10.080 20.426 ( 5.922 -10.258 -13.964) 18.310 21.339 ( 0.126 -0.219 -1.444) 1.466 21.356 ( 0.294 -0.509 -1.819) 1.912 21.577 ( 3.189 -5.524 4.045) 7.552 ======================= Grid point 351 (67/162) ======================= q-point: (-0.08 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -14.324 24.809 12.642) 31.313 1.945 ( -3.853 6.673 33.844) 34.711 3.300 ( -30.601 53.003 13.673) 62.711 5.254 ( 7.984 -13.829 2.031) 16.097 5.444 ( 0.568 -0.984 -13.306) 13.355 6.285 ( -5.957 10.319 -1.354) 11.992 6.898 ( 10.791 -18.690 22.059) 30.861 7.686 ( -0.659 1.141 -6.990) 7.113 7.861 ( -0.263 0.455 -3.760) 3.797 9.857 ( 3.419 -5.922 -2.898) 7.427 10.287 ( 0.827 -1.433 3.385) 3.768 10.651 ( 6.147 -10.647 -4.701) 13.162 11.603 ( -3.197 5.538 -6.409) 9.054 11.710 ( 5.373 -9.306 -0.892) 10.783 12.300 ( -9.305 16.116 0.285) 18.612 14.647 ( 3.131 -5.424 -2.226) 6.646 15.154 ( -7.402 12.820 -2.527) 15.017 15.441 ( 0.570 -0.988 3.478) 3.660 17.022 ( -27.899 48.322 -40.015) 68.662 17.277 ( 0.520 -0.901 3.136) 3.304 17.487 ( -5.163 8.943 -0.708) 10.351 18.255 ( -0.507 0.878 1.655) 1.941 20.052 ( -1.410 2.442 -1.263) 3.090 21.220 ( 11.723 -20.304 1.767) 23.512 21.428 ( 0.677 -1.173 0.650) 1.503 21.610 ( 1.122 -1.943 -1.242) 2.564 22.324 ( 3.949 -6.840 6.833) 10.444 ======================= Grid point 355 (68/162) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( 14.011 24.268 2.269) 28.114 4.193 ( 12.345 21.382 1.038) 24.711 4.768 ( 2.209 3.826 10.333) 11.238 5.209 ( -5.002 -8.664 1.664) 10.142 5.433 ( -7.299 -12.642 -4.615) 15.310 5.917 ( 9.968 17.264 -8.012) 21.485 7.003 ( 4.311 7.466 -1.558) 8.761 7.509 ( -6.786 -11.753 -1.463) 13.650 8.238 ( -5.746 -9.952 2.129) 11.688 9.090 ( -4.648 -8.051 -9.617) 13.376 9.466 ( 0.719 1.245 1.568) 2.128 9.879 ( 6.626 11.476 -0.959) 13.286 11.321 ( -4.024 -6.970 3.737) 8.873 11.513 ( -5.420 -9.387 0.174) 10.841 13.320 ( 4.610 7.985 7.516) 11.895 14.162 ( -4.329 -7.499 -0.727) 8.689 15.421 ( 2.842 4.922 0.533) 5.708 16.532 ( 8.680 15.034 -1.953) 17.470 17.354 ( -1.980 -3.430 3.128) 5.047 17.993 ( -1.463 -2.535 5.870) 6.559 18.330 ( -2.411 -4.176 8.571) 9.834 18.882 ( 12.775 22.126 -6.649) 26.400 20.069 ( -2.866 -4.964 -4.877) 7.526 20.219 ( -6.402 -11.089 -17.066) 21.335 21.331 ( -0.292 -0.506 -1.194) 1.330 21.384 ( -0.946 -1.638 -0.634) 1.995 21.548 ( -1.881 -3.259 2.881) 4.739 ======================= Grid point 356 (69/162) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( -1.502 25.992 -0.480) 26.040 4.534 ( 6.853 15.456 7.370) 18.443 4.845 ( 4.974 -2.906 -1.006) 5.848 4.936 ( -18.152 1.697 -3.663) 18.596 5.290 ( 2.355 -10.742 9.667) 14.642 6.195 ( 5.817 6.140 -7.408) 11.243 7.193 ( 11.395 2.279 -5.312) 12.777 7.341 ( 0.685 -9.272 -3.084) 9.796 7.887 ( -7.890 -24.302 -0.180) 25.552 9.088 ( 0.881 6.161 -7.665) 9.873 9.387 ( -2.099 -6.724 -4.488) 8.353 10.307 ( 13.529 29.854 4.514) 33.086 10.892 ( -33.494 4.716 3.559) 34.011 11.533 ( 17.989 -26.638 2.457) 32.237 13.427 ( -0.062 5.607 8.080) 9.835 14.059 ( 0.244 -5.847 -1.213) 5.976 15.485 ( -2.673 7.744 0.718) 8.224 16.800 ( 5.347 10.871 -1.592) 12.219 17.250 ( -0.836 -10.132 0.267) 10.170 17.986 ( -0.292 2.882 9.381) 9.818 18.230 ( -0.732 -7.230 11.821) 13.877 19.312 ( 9.203 23.522 -8.335) 26.598 19.795 ( -19.560 -0.596 -9.474) 21.742 20.152 ( 9.596 -16.746 -12.249) 22.860 21.333 ( 0.463 0.398 -1.319) 1.453 21.357 ( -0.793 -0.852 -0.956) 1.506 21.503 ( 0.429 -3.118 1.703) 3.579 ======================= Grid point 362 (70/162) ======================= q-point: (-0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -10.623 10.319 22.323) 26.789 2.176 ( -24.967 22.715 4.920) 34.111 4.352 ( -30.390 43.397 -0.915) 52.988 4.953 ( 6.853 -12.456 5.397) 15.207 5.410 ( 1.190 -2.842 -7.414) 8.028 6.443 ( -1.120 7.722 0.254) 7.807 6.640 ( 5.072 -4.298 19.809) 20.895 7.757 ( -6.073 0.492 -5.777) 8.396 7.877 ( -1.093 0.046 -4.241) 4.379 9.711 ( 8.530 -2.962 -1.077) 9.093 10.226 ( 1.657 -6.846 1.836) 7.279 10.391 ( 11.036 -10.389 -4.695) 15.868 11.298 ( 26.706 2.466 -3.189) 27.009 11.848 ( -21.567 -17.550 -1.979) 27.876 12.585 ( -5.061 15.621 3.274) 16.744 14.565 ( -1.470 -9.185 -1.332) 9.397 15.263 ( 12.092 12.799 0.860) 17.629 15.583 ( -18.334 3.660 -0.950) 18.720 17.285 ( -3.228 -1.154 4.325) 5.519 17.679 ( -8.847 11.589 -3.422) 14.976 17.845 ( -20.045 24.592 -30.588) 44.070 18.253 ( 1.066 -0.765 1.327) 1.866 20.103 ( -1.507 1.828 -1.339) 2.721 20.759 ( 14.043 -22.988 0.659) 26.945 21.418 ( 0.511 -0.122 -0.060) 0.529 21.563 ( 1.811 -2.251 -1.070) 3.081 22.213 ( 5.698 0.803 5.530) 7.981 ======================= Grid point 368 (71/162) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.458 ( -9.106 -15.773 -3.077) 18.471 4.458 ( 9.106 15.773 -3.077) 18.471 4.898 ( -3.638 -6.302 9.579) 12.030 4.898 ( 3.638 6.302 9.579) 12.030 5.220 ( 0.000 0.000 -1.265) 1.265 6.258 ( -0.000 -0.000 -6.805) 6.805 7.185 ( -0.000 -0.000 -5.358) 5.358 7.442 ( -8.748 -15.153 -2.737) 17.710 7.442 ( 8.748 15.153 -2.737) 17.710 9.239 ( -4.003 -6.934 -6.178) 10.113 9.239 ( 4.003 6.934 -6.178) 10.113 10.881 ( -9.167 -15.878 4.640) 18.913 10.881 ( 9.167 15.878 4.640) 18.913 11.057 ( -0.000 -0.000 2.335) 2.335 13.483 ( -0.000 -0.000 8.395) 8.395 14.000 ( -0.000 -0.000 -1.407) 1.407 15.564 ( -0.000 -0.000 0.899) 0.899 17.028 ( -5.879 -10.183 -1.000) 11.800 17.028 ( 5.879 10.183 -1.000) 11.800 18.086 ( -3.341 -5.787 11.517) 13.315 18.086 ( 3.341 5.787 11.517) 13.315 19.712 ( -0.000 -0.000 -13.229) 13.229 19.804 ( -4.146 -7.181 -8.392) 11.798 19.804 ( 4.146 7.181 -8.392) 11.798 21.344 ( -0.286 -0.496 -0.948) 1.108 21.344 ( 0.286 0.496 -0.948) 1.108 21.471 ( -0.000 -0.000 0.407) 0.407 ======================= Grid point 375 (72/162) ======================= q-point: (-0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -13.305 12.485 14.073) 23.042 2.825 ( -20.302 23.482 -3.952) 31.292 4.558 ( 9.259 -10.747 4.849) 14.991 5.102 ( -9.302 -6.812 -10.751) 15.764 5.648 ( -20.119 33.326 -1.772) 38.969 6.453 ( 6.548 3.428 2.853) 7.923 6.661 ( -7.707 6.444 19.458) 21.899 7.864 ( -3.098 0.486 -2.761) 4.179 7.934 ( -8.232 0.567 -4.491) 9.394 9.501 ( 12.594 -3.200 0.991) 13.032 10.036 ( 9.233 -13.417 -3.461) 16.651 10.148 ( 4.986 -9.213 -2.422) 10.752 10.824 ( 30.986 3.321 -3.038) 31.311 12.040 ( -21.255 -18.255 -0.779) 28.030 12.787 ( -2.334 12.862 5.085) 14.026 14.502 ( -3.076 -11.920 -0.697) 12.330 15.146 ( 13.487 10.910 0.645) 17.359 15.989 ( -19.700 9.245 -1.483) 21.812 17.372 ( -8.393 -1.757 5.144) 9.999 17.935 ( -7.884 11.815 -4.960) 15.044 18.176 ( 3.106 -0.849 -0.317) 3.235 18.286 ( -8.358 8.204 -12.132) 16.863 20.083 ( 6.745 -3.048 -0.734) 7.438 20.390 ( 2.702 -14.577 -7.049) 16.415 21.404 ( 0.989 0.049 -0.643) 1.180 21.506 ( 2.225 -2.130 -1.034) 3.248 22.136 ( 6.135 3.817 4.533) 8.529 ======================= Grid point 376 (73/162) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -9.376 16.240 12.111) 22.323 2.777 ( -19.668 34.065 0.461) 39.338 4.620 ( 9.708 -16.815 5.268) 20.118 4.932 ( -4.238 7.340 -13.425) 15.876 5.650 ( -17.200 29.792 0.070) 34.401 6.529 ( -0.207 0.359 2.386) 2.422 6.631 ( -2.941 5.093 21.037) 21.844 7.828 ( -3.664 6.346 -5.134) 8.948 7.871 ( 0.432 -0.749 -3.824) 3.921 9.600 ( 5.071 -8.783 1.296) 10.224 10.012 ( 8.100 -14.030 -0.690) 16.215 10.176 ( 5.761 -9.979 -4.961) 12.545 11.371 ( 3.539 -6.129 0.186) 7.080 11.505 ( 4.149 -7.186 -4.820) 9.596 12.835 ( -5.770 9.995 5.097) 12.616 14.412 ( 3.816 -6.609 -0.525) 7.649 15.374 ( 0.602 -1.043 1.024) 1.581 15.810 ( -10.895 18.871 -2.170) 21.899 17.283 ( -0.731 1.267 5.023) 5.231 17.926 ( -7.527 13.038 -4.263) 15.647 18.210 ( 2.123 -3.677 1.567) 4.526 18.248 ( -8.516 14.750 -16.987) 24.055 20.135 ( -0.541 0.938 -2.087) 2.351 20.330 ( 10.989 -19.033 -4.028) 22.343 21.413 ( 0.230 -0.398 -0.567) 0.730 21.515 ( 1.465 -2.537 -0.637) 2.998 22.211 ( 0.504 -0.873 4.117) 4.239 ======================= Grid point 388 (74/162) ======================= q-point: (-0.33 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -11.071 16.230 8.998) 21.609 3.284 ( -9.261 17.410 -12.357) 23.272 4.259 ( 9.453 -16.481 5.684) 19.831 5.173 ( -10.131 -0.914 -0.855) 10.208 6.201 ( -8.102 16.050 -7.409) 19.446 6.282 ( 13.128 -1.072 4.510) 13.922 7.133 ( -28.609 23.712 11.846) 39.001 7.902 ( -3.101 -1.822 -2.020) 4.126 8.140 ( -12.386 2.516 -1.621) 12.743 9.211 ( 15.155 -6.561 -0.831) 16.535 9.713 ( 11.567 -18.719 -2.351) 22.129 9.959 ( 7.599 -5.894 -2.833) 10.026 10.367 ( 26.266 8.471 -1.566) 27.643 12.205 ( -19.063 -18.872 0.341) 26.826 12.924 ( -0.295 10.075 5.673) 11.566 14.432 ( -3.599 -13.299 -0.488) 13.786 15.042 ( 12.027 12.855 -0.020) 17.604 16.402 ( -16.531 9.395 -1.309) 19.059 17.523 ( -11.602 -3.790 4.706) 13.081 18.066 ( 4.990 -3.533 3.836) 7.218 18.167 ( -5.346 10.870 -8.181) 14.617 18.393 ( 0.647 -0.293 0.801) 1.070 19.854 ( 10.312 -4.784 -5.528) 12.641 20.356 ( -6.133 -6.614 -10.139) 13.571 21.388 ( 1.039 0.280 -0.945) 1.432 21.449 ( 2.289 -1.364 -1.011) 2.850 22.078 ( 5.731 5.291 4.148) 8.834 ======================= Grid point 389 (75/162) ======================= q-point: (-0.25 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -12.625 17.449 3.405) 21.805 3.413 ( -11.741 34.100 -3.112) 36.199 4.284 ( 10.866 -14.555 5.065) 18.857 4.960 ( -6.620 -6.734 -5.759) 11.061 6.213 ( -10.968 19.682 -8.834) 24.202 6.441 ( 8.016 -5.073 4.461) 10.483 6.953 ( -19.579 24.562 19.084) 36.754 7.847 ( -0.161 -2.787 -2.698) 3.882 7.994 ( -8.050 5.478 -2.829) 10.140 9.360 ( 10.988 -10.689 0.892) 15.355 9.683 ( 9.841 -20.285 -3.646) 22.839 10.037 ( 3.795 -1.170 -3.178) 5.086 10.972 ( 32.341 9.199 -1.550) 33.660 11.625 ( -23.271 -23.221 -1.439) 32.906 12.994 ( -2.485 8.159 5.747) 10.285 14.294 ( 0.892 -9.030 -0.513) 9.088 15.326 ( 7.047 6.904 0.432) 9.875 16.222 ( -16.101 14.419 -1.790) 21.688 17.339 ( -5.413 -1.126 5.003) 7.457 18.106 ( 4.390 -4.948 2.608) 7.110 18.165 ( -5.932 8.680 -3.893) 11.211 18.427 ( -1.538 6.199 -5.150) 8.205 19.988 ( 10.888 -5.648 -7.508) 14.381 20.184 ( -5.232 -6.750 -6.084) 10.486 21.403 ( 0.588 -0.197 -0.851) 1.053 21.466 ( 1.575 -1.833 -0.378) 2.446 22.186 ( 2.507 1.490 3.591) 4.626 ======================= Grid point 401 (76/162) ======================= q-point: (-0.42 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( 2.817 20.014 5.901) 21.055 3.554 ( -11.444 5.914 -17.115) 21.421 3.921 ( 10.199 -15.271 4.719) 18.961 5.449 ( -14.570 8.031 4.421) 17.214 5.952 ( 16.353 -5.941 11.067) 20.620 6.394 ( -0.407 7.737 -7.336) 10.670 7.846 ( -14.832 14.642 -2.385) 20.978 7.973 ( -14.908 2.472 -0.704) 15.128 8.333 ( -2.872 -0.534 -1.656) 3.358 8.929 ( 4.333 -5.933 -2.287) 7.694 9.240 ( 16.513 -19.721 1.863) 25.789 9.837 ( 8.454 9.440 0.582) 12.685 10.132 ( 9.939 5.890 -2.513) 11.823 12.305 ( -15.070 -20.662 1.096) 25.598 12.995 ( 2.256 7.614 5.766) 9.814 14.377 ( -5.265 -12.482 -0.636) 13.562 14.991 ( 9.852 14.582 -0.269) 17.601 16.693 ( -7.009 5.244 -1.356) 8.858 17.641 ( -7.631 -8.273 1.242) 11.323 17.995 ( -0.956 -2.055 9.536) 9.802 18.292 ( -0.957 -3.497 3.320) 4.916 18.333 ( 4.548 8.029 -7.493) 11.886 19.701 ( 5.033 0.907 -7.142) 8.785 20.396 ( -5.640 -7.173 -11.549) 14.719 21.376 ( 0.731 0.535 -1.210) 1.512 21.409 ( 1.265 0.028 -0.758) 1.475 22.047 ( 4.629 6.349 4.053) 8.841 ======================= Grid point 402 (77/162) ======================= q-point: (-0.33 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -13.020 15.097 -1.380) 19.983 3.765 ( 7.901 30.249 -8.414) 32.376 3.959 ( 11.488 -12.127 4.595) 17.325 5.171 ( -21.783 0.592 2.602) 21.946 6.151 ( 15.617 -11.102 6.920) 20.373 6.451 ( -2.866 9.175 -5.893) 11.275 7.639 ( -26.344 24.026 6.373) 36.219 7.828 ( -2.225 -4.895 -1.784) 5.665 8.189 ( -9.194 1.561 0.993) 9.379 9.053 ( 12.356 -8.074 -4.319) 15.379 9.291 ( 12.126 -18.959 -4.390) 22.929 10.024 ( 2.003 8.711 0.091) 8.938 10.530 ( 27.333 7.465 -0.437) 28.337 11.768 ( -20.502 -24.722 -0.171) 32.118 13.087 ( 0.036 6.403 5.833) 8.661 14.206 ( -1.567 -9.452 -0.843) 9.618 15.286 ( 8.059 11.269 0.264) 13.857 16.602 ( -12.107 10.906 -1.438) 16.358 17.420 ( -7.085 -6.145 3.054) 9.863 17.985 ( 2.944 -4.183 5.920) 7.823 18.232 ( 0.019 -5.484 5.862) 8.027 18.513 ( 1.476 12.871 -10.226) 16.505 19.808 ( 6.836 -0.153 -8.200) 10.677 20.212 ( -6.161 -7.960 -8.568) 13.219 21.392 ( 0.605 0.184 -0.926) 1.121 21.428 ( 1.238 -0.770 -0.259) 1.481 22.161 ( 2.953 3.120 3.461) 5.516 ======================= Grid point 403 (78/162) ======================= q-point: (-0.25 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -9.422 16.320 -4.206) 19.308 3.927 ( 2.228 -3.860 0.230) 4.463 4.176 ( -12.618 21.855 0.997) 25.256 4.882 ( -0.942 1.632 -0.417) 1.929 6.236 ( 9.201 -15.936 5.233) 19.131 6.472 ( -5.149 8.918 -5.090) 11.487 7.525 ( -16.486 28.555 9.474) 34.306 7.780 ( 1.593 -2.760 -1.324) 3.451 8.114 ( -3.312 5.737 0.423) 6.638 9.123 ( 6.911 -11.970 -2.496) 14.045 9.299 ( 10.100 -17.494 -7.172) 21.436 10.084 ( -3.329 5.766 0.233) 6.662 11.114 ( 6.682 -11.573 -3.823) 13.899 11.165 ( 3.758 -6.509 2.383) 7.885 13.119 ( -2.688 4.655 5.893) 7.977 14.145 ( 3.470 -6.011 -0.869) 6.995 15.425 ( -1.974 3.420 0.510) 3.981 16.540 ( -9.670 16.750 -1.628) 19.409 17.324 ( 0.525 -0.910 3.738) 3.883 17.993 ( 3.194 -5.531 4.814) 7.998 18.202 ( 2.429 -4.206 5.832) 7.590 18.595 ( -5.787 10.023 -10.386) 15.551 19.895 ( 2.163 -3.746 -11.602) 12.382 20.087 ( 1.926 -3.335 -4.524) 5.941 21.398 ( 0.107 -0.186 -0.817) 0.845 21.435 ( 0.758 -1.313 -0.056) 1.517 22.203 ( -0.199 0.345 3.251) 3.275 ======================= Grid point 413 (79/162) ======================= q-point: (-0.42 0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( 2.523 4.370 -5.130) 7.196 3.726 ( -1.976 -3.423 6.196) 7.349 3.827 ( 15.845 27.444 -9.754) 33.156 5.538 ( -2.171 -3.761 3.828) 5.789 5.801 ( -3.204 -5.549 9.366) 11.349 6.522 ( 3.051 5.284 -5.041) 7.914 7.821 ( -3.646 -6.316 -1.397) 7.425 8.124 ( 0.396 0.685 2.013) 2.163 8.244 ( -3.654 -6.329 3.147) 7.957 8.874 ( 0.977 1.692 -8.493) 8.715 9.027 ( -1.518 -2.629 -3.836) 4.892 10.106 ( 9.145 15.839 2.976) 18.530 10.268 ( 5.239 9.075 -0.812) 10.510 11.824 ( -15.795 -27.359 0.234) 31.592 13.118 ( 2.711 4.696 5.812) 7.949 14.171 ( -4.668 -8.085 -1.034) 9.392 15.272 ( 7.548 13.073 0.251) 15.098 16.780 ( 2.046 3.544 -1.271) 4.285 17.443 ( -5.974 -10.348 0.773) 11.974 17.947 ( -1.143 -1.979 9.080) 9.364 18.174 ( -3.260 -5.646 8.959) 11.080 18.575 ( 6.967 12.067 -13.581) 19.457 19.748 ( 2.052 3.554 -6.925) 8.049 20.227 ( -5.418 -9.384 -9.690) 14.537 21.387 ( 0.336 0.583 -0.959) 1.171 21.413 ( 0.118 0.204 -0.188) 0.301 22.151 ( 2.350 4.070 3.447) 5.828 ======================= Grid point 415 (80/162) ======================= q-point: (-0.33 0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( -7.873 9.522 -7.294) 14.348 3.717 ( 6.283 -9.924 -0.232) 11.748 4.490 ( 17.071 38.386 -0.662) 42.016 5.194 ( -30.905 1.493 3.907) 31.187 5.812 ( 16.171 -23.414 5.069) 28.904 6.597 ( -0.812 5.448 -3.597) 6.579 7.712 ( -1.333 -4.642 -0.924) 4.917 8.019 ( -12.507 11.877 7.122) 18.660 8.181 ( -0.599 -2.009 5.573) 5.954 8.939 ( 4.487 -2.654 -10.105) 11.371 9.027 ( 5.453 -7.782 -9.919) 13.736 10.278 ( -6.623 17.090 2.113) 18.449 10.650 ( 28.474 4.364 0.547) 28.812 11.247 ( -18.824 -27.225 0.519) 33.104 13.181 ( 0.017 3.146 5.854) 6.646 14.062 ( -0.371 -5.016 -1.192) 5.169 15.469 ( 2.653 6.782 0.571) 7.305 16.833 ( -5.170 12.184 -1.149) 13.286 17.277 ( -0.959 -8.645 1.070) 8.764 17.926 ( 0.275 -0.965 8.165) 8.227 18.088 ( 1.426 -7.647 9.278) 12.108 18.755 ( 0.162 9.931 -14.862) 17.875 19.834 ( 3.832 2.621 -7.811) 9.087 20.050 ( -3.868 -8.043 -7.003) 11.344 21.397 ( 0.159 0.337 -0.630) 0.732 21.415 ( 0.368 -0.558 -0.049) 0.670 22.205 ( 0.804 1.436 3.157) 3.560 ======================= Grid point 428 (81/162) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( -4.083 -7.071 -4.921) 9.533 3.541 ( 4.083 7.071 -4.921) 9.533 5.203 ( -6.700 -11.605 4.982) 14.297 5.203 ( 6.700 11.605 4.982) 14.297 5.264 ( -0.000 -0.000 -0.797) 0.797 6.654 ( 0.000 0.000 -3.027) 3.027 7.662 ( -0.000 -0.000 -0.730) 0.730 8.140 ( -1.120 -1.940 8.985) 9.260 8.140 ( 1.120 1.940 8.985) 9.260 8.940 ( -1.045 -1.810 -13.351) 13.514 8.940 ( 1.045 1.810 -13.351) 13.514 10.621 ( 0.000 0.000 -1.845) 1.845 10.747 ( -8.390 -14.532 3.156) 17.074 10.747 ( 8.390 14.532 3.156) 17.074 13.212 ( 0.000 0.000 5.839) 5.839 14.011 ( 0.000 0.000 -1.323) 1.323 15.539 ( 0.000 0.000 0.670) 0.670 17.073 ( -5.819 -10.079 -0.394) 11.645 17.073 ( 5.819 10.079 -0.394) 11.645 17.962 ( -2.231 -3.864 9.449) 10.449 17.962 ( 2.231 3.864 9.449) 10.449 18.861 ( 0.000 0.000 -16.802) 16.802 19.912 ( -2.723 -4.716 -6.597) 8.555 19.912 ( 2.723 4.716 -6.597) 8.555 21.405 ( -0.240 -0.416 -0.252) 0.542 21.405 ( 0.240 0.416 -0.252) 0.542 22.219 ( 0.000 0.000 3.071) 3.071 ======================= Grid point 471 (82/162) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -0.000 0.000 23.898) 23.898 1.809 ( 0.000 -0.000 23.898) 23.898 2.987 ( 0.000 0.000 36.532) 36.532 5.309 ( 0.000 0.000 -9.344) 9.344 5.309 ( 0.000 -0.000 -9.344) 9.344 6.012 ( 0.000 -0.000 1.782) 1.782 7.563 ( 0.000 -0.000 -6.568) 6.568 7.563 ( 0.000 -0.000 -6.568) 6.568 8.261 ( 0.000 0.000 15.221) 15.221 10.240 ( 0.000 0.000 -17.293) 17.293 10.338 ( 0.000 -0.000 3.322) 3.322 10.338 ( 0.000 -0.000 3.322) 3.322 10.816 ( -0.000 0.000 -4.643) 4.643 11.966 ( 0.000 0.000 0.391) 0.391 11.966 ( 0.000 -0.000 0.391) 0.391 14.753 ( 0.000 0.000 -3.280) 3.280 14.753 ( 0.000 -0.000 -3.280) 3.280 15.503 ( 0.000 0.000 4.692) 4.692 15.503 ( 0.000 -0.000 4.692) 4.692 17.344 ( 0.000 0.000 1.915) 1.915 17.344 ( 0.000 -0.000 1.915) 1.915 18.268 ( 0.000 -0.000 2.389) 2.389 19.968 ( 0.000 -0.000 -1.374) 1.374 21.440 ( 0.000 -0.000 1.807) 1.807 21.617 ( 0.000 0.000 -1.576) 1.576 21.617 ( 0.000 -0.000 -1.576) 1.576 22.652 ( 0.000 0.000 -1.317) 1.317 ======================= Grid point 472 (83/162) ======================= q-point: ( 0.08 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -0.533 21.885 21.761) 30.867 2.300 ( 31.963 3.306 20.998) 38.386 3.040 ( 9.148 3.203 27.820) 29.460 5.154 ( -1.663 -9.958 -6.343) 11.923 5.473 ( -0.625 12.737 -8.117) 15.117 6.055 ( 6.137 -1.515 -0.667) 6.356 7.430 ( -8.323 -14.634 3.049) 17.109 7.600 ( 0.914 4.208 -5.940) 7.337 7.993 ( -17.051 0.494 8.842) 19.213 9.877 ( -9.572 -7.819 -5.588) 13.564 10.326 ( 1.652 -4.986 3.131) 6.115 10.679 ( -4.698 -3.142 -5.622) 7.972 11.147 ( 27.053 18.455 -7.731) 33.649 11.910 ( -4.239 6.410 0.029) 7.685 12.027 ( 7.306 -3.199 -0.220) 7.978 14.725 ( -4.465 5.322 -2.912) 7.532 14.881 ( 10.402 1.582 -3.739) 11.166 15.480 ( 2.115 -6.410 4.049) 7.871 15.882 ( 28.728 21.618 -5.517) 36.374 17.346 ( 0.265 0.638 2.482) 2.576 17.390 ( 3.932 2.369 1.216) 4.749 18.277 ( 0.733 0.206 2.176) 2.305 19.990 ( 1.789 1.090 -1.361) 2.498 21.423 ( -2.264 -1.522 1.409) 3.071 21.530 ( -8.338 -2.189 -1.627) 8.772 21.604 ( -0.910 -1.128 -1.554) 2.125 22.525 ( -8.721 -7.207 1.330) 11.392 ======================= Grid point 473 (84/162) ======================= q-point: ( 0.17 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 8.756 24.220 11.568) 28.233 2.629 ( 4.112 4.157 26.919) 27.546 3.593 ( 42.288 11.466 3.158) 43.929 5.070 ( 3.014 -8.084 1.916) 8.838 5.483 ( -11.946 10.687 -5.248) 16.866 6.185 ( 11.129 -4.457 -4.069) 12.660 7.083 ( -9.353 -14.005 15.011) 22.560 7.686 ( 3.425 5.905 -5.258) 8.617 7.860 ( -6.680 7.840 -1.446) 10.401 9.674 ( -5.477 -9.462 -3.960) 11.628 10.295 ( 0.875 -6.034 2.437) 6.566 10.465 ( -12.264 -7.862 -4.914) 15.374 11.300 ( -13.404 -3.231 -3.531) 14.233 12.112 ( 0.887 19.882 -0.575) 19.910 12.217 ( 23.914 -3.098 -0.474) 24.119 14.702 ( -4.234 5.434 -2.817) 7.443 15.055 ( 5.444 -0.710 -0.039) 5.491 15.504 ( 7.749 0.353 0.596) 7.780 16.751 ( 39.743 25.033 -19.011) 50.672 17.380 ( 2.220 2.505 3.718) 5.003 17.516 ( 6.450 4.413 -0.760) 7.852 18.285 ( 0.081 -0.567 1.835) 1.922 20.043 ( 2.481 1.612 -1.429) 3.285 21.173 ( -20.932 -6.895 -0.659) 22.049 21.433 ( -1.948 -0.571 0.152) 2.035 21.567 ( -1.770 -1.629 -1.492) 2.830 22.296 ( -6.186 -10.084 3.989) 12.485 ======================= Grid point 474 (85/162) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 12.141 16.762 0.238) 20.699 2.728 ( 1.915 9.395 19.743) 21.948 4.416 ( 32.606 12.477 -5.739) 35.380 5.138 ( 9.464 1.867 8.511) 12.865 5.312 ( -11.222 0.828 -3.953) 11.927 6.295 ( 7.947 -7.961 -3.120) 11.674 6.925 ( 1.698 -4.053 15.558) 16.167 7.819 ( 2.677 4.924 -6.220) 8.373 7.868 ( 0.491 9.073 -0.396) 9.094 9.493 ( -4.081 -10.332 -1.221) 11.176 10.118 ( -14.669 -12.336 -5.182) 19.855 10.239 ( -1.608 -6.207 0.546) 6.435 10.904 ( -24.773 -5.803 -3.436) 25.675 12.290 ( 4.368 10.175 -0.445) 11.082 12.591 ( 15.427 5.253 3.681) 16.707 14.690 ( -3.427 5.392 -2.390) 6.821 15.004 ( -3.790 -8.363 2.297) 9.465 15.788 ( 16.794 9.587 -1.613) 19.405 17.473 ( 6.521 3.798 4.185) 8.629 17.602 ( 26.905 18.574 -17.158) 36.922 17.697 ( 11.048 7.683 -3.543) 13.915 18.260 ( -1.613 -1.772 1.959) 3.095 20.090 ( 0.747 0.640 -1.454) 1.756 20.677 ( -25.794 -7.931 -1.789) 27.045 21.397 ( -1.306 -1.197 -0.306) 1.798 21.512 ( -2.385 -2.022 -1.423) 3.435 22.131 ( -1.791 -9.777 3.649) 10.589 ======================= Grid point 475 (86/162) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 7.385 11.261 -7.375) 15.354 2.885 ( 6.792 11.064 10.156) 16.483 4.726 ( -8.821 5.280 8.974) 13.646 5.133 ( 0.304 5.274 -4.134) 6.708 5.594 ( 28.813 1.924 -5.529) 29.401 6.296 ( 2.745 -10.279 1.080) 10.694 7.053 ( 13.933 2.633 12.051) 18.609 7.860 ( 0.400 3.086 -3.980) 5.052 8.065 ( 8.277 9.567 -0.950) 12.686 9.312 ( -7.677 -8.138 2.160) 11.394 9.755 ( -10.778 -12.084 -6.668) 17.512 10.124 ( -1.111 -13.619 -0.843) 13.690 10.386 ( -30.551 -0.186 -2.653) 30.667 12.463 ( 4.561 8.623 0.249) 9.758 12.846 ( 8.612 5.050 5.624) 11.458 14.689 ( -3.979 6.922 -1.733) 8.170 14.828 ( -4.181 -11.172 1.495) 12.022 16.192 ( 17.336 10.454 -1.413) 20.294 17.627 ( 7.423 2.545 4.371) 8.983 17.850 ( 4.593 8.268 -8.291) 12.577 18.177 ( 4.100 2.615 2.195) 5.335 18.262 ( 13.799 8.980 -3.766) 16.889 19.970 ( -15.385 -7.657 0.055) 17.186 20.292 ( -8.336 -0.102 -8.665) 12.024 21.366 ( -0.803 -1.368 -0.695) 1.732 21.448 ( -2.458 -2.265 -1.231) 3.562 22.030 ( 0.585 -8.897 2.706) 9.318 ======================= Grid point 476 (87/162) ======================= q-point: ( 0.42 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 0.286 3.435 0.549) 3.490 3.191 ( 8.474 15.078 -10.830) 20.407 4.465 ( -19.540 3.712 12.469) 23.475 5.319 ( 12.912 0.693 0.810) 12.956 6.000 ( 14.535 1.023 -9.417) 17.349 6.192 ( -2.209 -9.440 7.666) 12.360 7.436 ( 24.621 4.127 2.258) 25.066 7.902 ( 1.957 0.658 -4.039) 4.536 8.261 ( 3.293 1.886 -2.444) 4.514 9.088 ( -8.353 0.894 2.699) 8.824 9.570 ( -2.360 -6.453 -1.894) 7.127 9.792 ( -17.534 -17.049 -0.586) 24.464 10.040 ( -11.137 4.174 -2.495) 12.152 12.602 ( 2.384 6.400 1.136) 6.924 12.993 ( 3.256 4.293 6.048) 8.100 14.655 ( -10.038 6.986 0.774) 12.254 14.705 ( 4.648 -9.886 -1.497) 11.026 16.545 ( 12.204 7.196 -1.389) 14.236 17.729 ( 3.490 -2.807 1.047) 4.600 17.961 ( 0.481 4.523 -8.841) 9.943 18.233 ( 4.113 8.062 8.277) 12.265 18.548 ( 3.807 6.181 6.395) 9.675 19.599 ( -12.672 -8.350 -6.290) 16.427 20.254 ( -1.332 2.245 -11.713) 12.000 21.342 ( -0.452 -1.250 -1.107) 1.730 21.393 ( -1.202 -1.900 -0.662) 2.344 21.971 ( 2.307 -7.918 2.096) 8.509 ======================= Grid point 477 (88/162) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( -1.213 2.101 -0.909) 2.591 3.369 ( -4.749 8.226 -17.382) 19.808 4.282 ( -6.438 11.150 17.595) 21.803 5.464 ( 5.282 -9.149 -2.656) 10.893 6.071 ( 1.668 -2.888 13.445) 13.852 6.154 ( 2.238 -3.876 -7.423) 8.668 7.782 ( 3.749 -6.493 -2.142) 7.797 7.935 ( 6.275 -10.869 -9.137) 15.524 8.172 ( -2.371 4.107 -2.669) 5.442 9.178 ( 1.934 -3.349 3.544) 5.246 9.324 ( -10.685 18.507 4.767) 21.896 9.604 ( 5.574 -9.654 -1.377) 11.232 9.962 ( -1.219 2.112 -3.360) 4.151 12.656 ( -1.987 3.442 1.555) 4.267 13.043 ( -1.438 2.490 6.059) 6.707 14.594 ( -1.754 3.038 0.524) 3.547 14.702 ( 1.701 -2.947 -1.488) 3.714 16.698 ( 0.012 -0.021 -1.510) 1.510 17.727 ( 1.944 -3.368 -0.484) 3.919 17.985 ( -0.066 0.115 -7.807) 7.808 18.381 ( -5.584 9.671 10.138) 15.083 18.548 ( -1.700 2.945 11.193) 11.698 19.449 ( 1.898 -3.288 -9.725) 10.440 20.255 ( -1.279 2.216 -13.391) 13.633 21.330 ( 0.410 -0.709 -1.387) 1.611 21.374 ( 0.612 -1.059 -0.235) 1.246 21.952 ( 3.994 -6.918 1.899) 8.211 ======================= Grid point 485 (89/162) ======================= q-point: ( 0.08 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 10.898 18.876 20.948) 30.231 2.465 ( 10.853 18.798 10.484) 24.106 3.253 ( 13.058 22.617 17.223) 31.284 4.990 ( -3.237 -5.607 -0.085) 6.475 5.706 ( 4.343 7.522 -9.102) 12.581 6.006 ( -1.209 -2.094 -0.968) 2.605 7.092 ( -9.265 -16.048 12.377) 22.284 7.680 ( 2.856 4.946 -6.831) 8.904 7.997 ( -0.275 -0.477 1.543) 1.639 9.673 ( -6.340 -10.981 -3.939) 13.277 10.224 ( -3.106 -5.380 3.285) 7.028 10.534 ( -6.271 -10.862 -4.860) 13.451 11.517 ( 6.338 10.978 -4.770) 13.544 11.850 ( -3.974 -6.883 -0.780) 7.986 12.230 ( 11.248 19.482 -0.693) 22.506 14.750 ( -1.593 -2.758 -3.422) 4.675 15.077 ( 9.114 15.787 -4.216) 18.710 15.370 ( -2.213 -3.833 4.561) 6.355 16.532 ( 23.445 40.608 -16.502) 49.709 17.364 ( 0.811 1.404 3.213) 3.599 17.493 ( 4.425 7.664 -0.174) 8.851 18.280 ( -0.076 -0.131 1.998) 2.004 20.028 ( 1.479 2.562 -1.433) 3.287 21.314 ( -6.682 -11.573 -1.393) 13.436 21.466 ( -1.752 -3.035 -0.962) 3.634 21.568 ( -1.285 -2.225 -1.347) 2.901 22.297 ( -7.745 -13.415 5.495) 16.436 ======================= Grid point 486 (90/162) ======================= q-point: ( 0.17 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 3.508 18.426 11.550) 22.028 2.819 ( 4.984 18.238 9.696) 21.248 3.961 ( 35.082 25.336 0.590) 43.279 4.946 ( 4.237 -4.313 6.449) 8.840 5.661 ( -16.303 6.741 -4.477) 18.201 6.039 ( 10.349 -10.342 -2.860) 14.907 6.881 ( -1.952 -5.579 13.784) 14.998 7.809 ( 4.859 7.469 -6.243) 10.880 7.970 ( -3.418 1.894 -0.224) 3.914 9.472 ( -4.870 -9.236 -1.023) 10.491 10.087 ( -3.114 -13.916 1.680) 14.359 10.274 ( -9.915 -11.575 -4.801) 15.979 11.383 ( -26.135 9.456 -3.243) 27.981 11.943 ( 21.976 -15.218 -1.442) 26.769 12.612 ( 8.032 21.232 2.381) 22.825 14.677 ( -0.979 -6.899 -2.328) 7.346 15.190 ( -11.380 10.443 1.772) 15.546 15.539 ( 20.338 5.499 -1.973) 21.160 17.346 ( 22.965 29.615 -16.680) 41.021 17.421 ( 7.276 4.500 1.587) 8.701 17.679 ( 5.869 11.529 -2.762) 13.229 18.263 ( -0.958 -1.775 2.005) 2.844 20.079 ( 1.497 1.747 -1.723) 2.874 20.953 ( -18.170 -15.587 -3.806) 24.240 21.415 ( -2.000 -1.356 -0.323) 2.438 21.520 ( -1.394 -2.897 -1.250) 3.449 22.068 ( -3.918 -11.334 7.152) 13.963 ======================= Grid point 487 (91/162) ======================= q-point: ( 0.25 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 7.959 16.633 4.683) 19.025 3.048 ( -2.865 25.180 2.183) 25.437 4.707 ( 19.612 15.286 -1.279) 24.898 5.095 ( 19.264 -4.169 3.033) 19.942 5.399 ( -15.842 6.365 -1.170) 17.113 6.084 ( 8.019 -13.012 -0.091) 15.285 6.906 ( 6.310 1.716 11.436) 13.174 7.893 ( -2.535 -0.122 -1.857) 3.145 8.022 ( 6.991 7.894 -2.891) 10.934 9.340 ( -3.272 -3.217 2.808) 5.379 9.794 ( -10.200 -19.941 -3.242) 22.631 10.019 ( -5.620 -13.413 -3.541) 14.968 10.982 ( -30.560 10.137 -2.868) 32.324 12.169 ( 20.321 -13.671 -0.937) 24.510 12.911 ( 3.890 18.493 4.679) 19.468 14.581 ( 0.759 -12.056 -1.255) 12.145 15.083 ( -12.267 11.080 1.227) 16.575 15.972 ( 19.777 9.910 -2.013) 22.212 17.497 ( 5.889 -0.328 3.814) 7.024 17.910 ( 5.067 15.213 -5.754) 17.036 18.042 ( 20.276 21.027 -10.291) 30.971 18.216 ( -1.023 -2.319 2.573) 3.612 20.081 ( -3.800 -1.880 -1.444) 4.478 20.468 ( -17.741 -12.824 -7.628) 23.181 21.370 ( -1.417 -1.506 -0.411) 2.108 21.462 ( -1.961 -2.805 -1.188) 3.623 21.931 ( -0.392 -9.580 6.126) 11.378 ======================= Grid point 488 (92/162) ======================= q-point: ( 0.33 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( -1.075 17.120 7.572) 18.751 3.264 ( 1.108 27.040 -13.358) 30.180 4.839 ( -15.600 5.897 10.475) 19.694 5.107 ( 6.202 -6.466 -2.366) 9.267 5.713 ( 23.728 8.766 -7.392) 26.354 6.059 ( 4.396 -13.181 5.930) 15.107 7.116 ( 15.622 2.760 5.801) 16.892 7.837 ( 0.802 -7.187 -0.796) 7.275 8.226 ( 5.663 7.106 -2.624) 9.458 9.215 ( -9.935 -7.171 2.569) 12.519 9.509 ( -0.444 -7.206 -2.894) 7.778 9.787 ( -5.822 -12.519 -3.508) 14.245 10.562 ( -30.358 11.570 -1.429) 32.520 12.356 ( 16.774 -13.524 0.022) 21.547 13.114 ( -0.133 16.021 5.350) 16.891 14.470 ( 2.207 -14.753 -0.722) 14.935 15.004 ( -11.566 14.353 0.268) 18.435 16.383 ( 16.123 9.094 -1.622) 18.581 17.577 ( 5.624 -5.117 1.759) 7.804 18.069 ( -3.146 5.881 -3.058) 7.337 18.237 ( 6.010 10.433 2.021) 12.209 18.500 ( 11.357 12.110 0.688) 16.616 19.789 ( -18.783 -9.714 -4.363) 21.592 20.260 ( -0.272 -3.725 -12.057) 12.622 21.338 ( -0.633 -1.322 -0.608) 1.587 21.402 ( -1.990 -2.188 -0.822) 3.070 21.853 ( 1.594 -8.468 5.028) 9.977 ======================= Grid point 489 (93/162) ======================= q-point: ( 0.42 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( -10.466 20.527 4.082) 23.400 3.544 ( -0.409 20.766 -21.272) 29.730 4.574 ( -16.014 7.423 14.967) 23.142 5.214 ( 10.981 -10.170 -3.044) 15.273 5.983 ( 2.597 -7.821 12.220) 14.739 6.064 ( 8.002 1.072 -5.084) 9.540 7.473 ( 22.203 -0.824 -1.708) 22.284 7.759 ( 0.963 -14.577 -2.878) 14.889 8.263 ( -4.273 -1.300 -1.187) 4.622 9.024 ( 2.768 -10.157 -1.285) 10.606 9.468 ( -0.975 -8.856 -4.064) 9.793 9.706 ( -4.661 18.244 3.123) 19.087 10.203 ( -21.153 9.406 -0.425) 23.154 12.465 ( 12.154 -15.250 0.780) 19.517 13.221 ( -4.574 13.506 5.400) 15.247 14.386 ( 5.088 -13.728 -0.742) 14.659 14.968 ( -10.195 15.992 -0.110) 18.965 16.663 ( 6.839 4.791 -1.512) 8.486 17.580 ( 4.191 -9.511 -0.663) 10.415 18.046 ( -2.619 3.189 1.178) 4.292 18.493 ( 6.892 13.482 4.529) 15.804 18.660 ( -4.536 6.943 6.331) 10.434 19.446 ( -8.458 -6.330 -9.871) 14.458 20.248 ( 1.763 -3.173 -14.553) 14.999 21.322 ( -0.144 -0.728 -1.059) 1.293 21.361 ( -0.542 -1.260 -0.096) 1.375 21.816 ( 3.240 -7.500 4.459) 9.307 ======================= Grid point 498 (94/162) ======================= q-point: ( 0.17 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 8.561 14.829 8.926) 19.309 3.260 ( 12.652 21.915 -1.074) 25.327 4.544 ( 18.080 31.316 -5.280) 36.544 4.901 ( -0.071 -0.123 8.188) 8.189 5.725 ( -2.690 -4.659 -1.626) 5.621 5.809 ( -4.301 -7.449 0.025) 8.601 6.861 ( 1.646 2.851 10.861) 11.349 7.926 ( -3.317 -5.746 0.416) 6.648 7.992 ( 6.086 10.540 -5.169) 13.223 9.358 ( -0.842 -1.458 2.751) 3.225 9.759 ( -11.235 -19.460 -0.220) 22.471 10.018 ( -7.692 -13.322 -5.656) 16.390 11.575 ( -3.116 -5.397 0.172) 6.234 11.641 ( -0.437 -0.757 -4.785) 4.864 12.975 ( 8.982 15.557 4.527) 18.525 14.511 ( -5.164 -8.945 -0.953) 10.372 15.296 ( 0.576 0.997 1.455) 1.855 15.800 ( 10.986 19.028 -2.846) 22.155 17.446 ( 1.146 1.984 4.411) 4.970 17.933 ( 10.044 17.396 -5.040) 20.710 17.978 ( 14.423 24.982 -12.826) 31.570 18.214 ( -1.800 -3.117 2.730) 4.518 20.100 ( -0.043 -0.074 -2.517) 2.519 20.569 ( -12.733 -22.054 -7.791) 26.630 21.378 ( -1.243 -2.153 -0.564) 2.549 21.462 ( -1.578 -2.733 -0.730) 3.239 21.881 ( -4.252 -7.364 7.979) 11.661 ======================= Grid point 499 (95/162) ======================= q-point: ( 0.25 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 8.819 18.518 1.411) 20.559 3.634 ( 0.193 31.192 -2.959) 31.333 4.903 ( 3.229 -0.374 4.571) 5.608 5.085 ( 8.324 7.182 -7.149) 13.115 5.543 ( -2.670 8.039 1.421) 8.590 5.803 ( 9.052 -13.808 4.109) 17.014 6.961 ( 6.071 3.027 6.656) 9.503 7.769 ( -4.087 -11.030 1.409) 11.847 8.207 ( 6.083 9.556 -2.924) 11.699 9.295 ( -13.938 -18.296 -1.373) 23.041 9.443 ( 3.757 0.663 2.143) 4.375 9.788 ( -5.064 -7.669 -5.009) 10.467 11.211 ( -30.727 11.757 -1.423) 32.930 11.847 ( 22.775 -18.508 -1.815) 29.403 13.233 ( 4.177 13.778 5.371) 15.367 14.340 ( -2.589 -11.436 -0.698) 11.746 15.293 ( -5.978 9.113 0.651) 10.918 16.202 ( 15.652 13.417 -2.161) 20.729 17.477 ( 1.771 -1.977 3.329) 4.258 18.144 ( -2.501 -0.810 3.459) 4.345 18.240 ( 7.971 14.410 -5.283) 17.295 18.435 ( 12.198 17.030 -2.215) 21.064 20.007 ( -14.009 -5.670 -5.035) 15.930 20.191 ( -2.429 -14.254 -12.115) 18.864 21.339 ( -0.995 -1.539 -0.471) 1.893 21.412 ( -1.561 -2.178 -0.501) 2.726 21.768 ( -1.053 -6.842 7.249) 10.024 ======================= Grid point 500 (96/162) ======================= q-point: ( 0.33 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 1.559 20.134 -1.516) 20.252 3.900 ( -7.003 35.347 -9.232) 37.198 4.900 ( -6.718 -8.654 -6.180) 12.578 4.980 ( -4.124 2.891 10.944) 12.047 5.785 ( 10.335 -12.823 9.434) 18.980 5.908 ( 13.674 9.193 -4.014) 16.958 7.140 ( 14.032 -0.159 1.758) 14.143 7.598 ( -0.491 -14.897 1.126) 14.948 8.287 ( -3.246 -5.883 1.271) 6.838 8.925 ( -3.812 -11.965 -6.889) 14.324 9.433 ( -3.748 -7.488 -4.641) 9.574 9.866 ( 6.666 20.667 3.055) 21.929 10.781 ( -31.660 9.917 -0.164) 33.177 12.015 ( 18.853 -20.529 -0.632) 27.880 13.392 ( -0.344 11.630 5.541) 12.887 14.209 ( 0.793 -11.253 -0.905) 11.317 15.282 ( -8.029 13.114 0.362) 15.381 16.565 ( 12.086 9.599 -1.651) 15.522 17.446 ( 0.636 -8.180 0.846) 8.248 18.111 ( -1.623 1.995 6.284) 6.790 18.478 ( 5.709 7.245 3.153) 9.749 18.750 ( 6.837 15.286 -1.105) 16.782 19.623 ( -18.015 -6.233 -11.423) 22.223 20.131 ( 4.413 -9.383 -13.233) 16.811 21.318 ( -0.199 -0.633 -0.552) 0.863 21.367 ( -1.456 -1.284 -0.180) 1.949 21.704 ( 1.291 -6.444 6.556) 9.283 ======================= Grid point 501 (97/162) ======================= q-point: ( 0.42 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( -10.787 18.684 -0.773) 21.589 4.047 ( -17.294 29.955 -18.319) 39.141 4.732 ( -2.943 5.097 7.784) 9.759 4.990 ( 4.675 -8.097 1.791) 9.519 5.793 ( 6.375 -11.041 14.822) 19.551 6.097 ( -0.433 0.749 -4.654) 4.734 7.386 ( 6.547 -11.340 -1.433) 13.173 7.445 ( 6.223 -10.778 -0.957) 12.482 8.129 ( 6.856 -11.874 3.664) 14.192 8.893 ( 0.528 -0.914 -7.357) 7.432 9.333 ( 2.740 -4.746 -6.243) 8.308 10.183 ( -12.782 22.139 3.683) 25.828 10.415 ( -9.010 15.605 0.987) 18.047 12.076 ( 13.531 -23.436 -0.189) 27.062 13.448 ( -5.160 8.938 5.553) 11.720 14.158 ( 5.236 -9.068 -1.058) 10.525 15.278 ( -8.351 14.464 0.300) 16.705 16.737 ( -1.573 2.725 -1.402) 3.445 17.390 ( 5.222 -9.044 -0.367) 10.450 18.112 ( -2.145 3.715 6.925) 8.146 18.561 ( 1.825 -3.160 13.518) 14.002 18.930 ( -8.572 14.848 -8.224) 19.015 19.388 ( -1.085 1.879 -11.472) 11.676 20.124 ( 5.341 -9.251 -15.150) 18.537 21.315 ( -0.010 0.017 -0.897) 0.897 21.345 ( 0.169 -0.293 0.278) 0.438 21.684 ( 3.257 -5.642 6.304) 9.065 ======================= Grid point 508 (98/162) ======================= q-point: (-0.08 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -8.787 15.220 17.098) 24.520 2.592 ( -1.493 2.586 30.778) 30.922 3.486 ( -21.498 37.236 3.749) 43.159 5.245 ( -1.649 2.856 -5.967) 6.818 5.278 ( 5.518 -9.557 0.185) 11.037 6.227 ( -5.640 9.768 -4.332) 12.083 7.312 ( 8.970 -15.536 19.464) 26.470 7.558 ( -1.001 1.733 -5.555) 5.905 7.768 ( 1.616 -2.800 -5.250) 6.165 9.780 ( 3.024 -5.238 -4.854) 7.755 10.341 ( 1.461 -2.531 1.883) 3.476 10.552 ( 5.883 -10.189 -5.001) 12.784 11.478 ( -5.728 9.921 -5.683) 12.789 11.707 ( 5.486 -9.502 0.630) 10.990 12.299 ( -10.430 18.065 -0.466) 20.865 14.615 ( 2.466 -4.271 -0.967) 5.025 15.099 ( -7.781 13.477 -2.992) 15.847 15.497 ( 1.395 -2.416 2.116) 3.501 16.481 ( -23.842 41.296 -16.788) 50.553 17.344 ( -0.203 0.351 3.504) 3.527 17.482 ( -3.893 6.743 -0.052) 7.787 18.290 ( -0.269 0.466 1.815) 1.893 20.025 ( -1.372 2.376 -1.366) 3.065 21.239 ( 10.795 -18.698 0.506) 21.597 21.439 ( 0.789 -1.366 0.396) 1.626 21.582 ( 1.022 -1.770 -1.481) 2.524 22.405 ( 3.982 -6.897 2.106) 8.238 ======================= Grid point 512 (99/162) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( 10.985 19.027 -5.051) 22.544 4.203 ( 14.201 24.596 -0.064) 28.401 4.804 ( -4.012 -6.949 -5.781) 9.890 5.205 ( -0.127 -0.221 -1.852) 1.869 5.521 ( -3.277 -5.676 12.246) 13.890 5.824 ( 8.150 14.116 -1.388) 16.359 7.018 ( 2.023 3.504 3.135) 5.118 7.522 ( -7.088 -12.276 2.801) 14.450 8.282 ( -4.582 -7.936 2.276) 9.442 8.902 ( -6.087 -10.542 -8.987) 15.131 9.431 ( -4.208 -7.288 -4.634) 9.607 9.910 ( 11.344 19.648 3.471) 22.952 11.379 ( -3.687 -6.387 1.940) 7.626 11.477 ( -4.510 -7.812 -3.779) 9.780 13.454 ( 4.910 8.505 5.668) 11.339 14.145 ( -4.612 -7.988 -0.923) 9.270 15.433 ( 2.915 5.049 0.596) 5.860 16.494 ( 8.893 15.404 -1.817) 17.879 17.401 ( -3.500 -6.062 1.579) 7.176 18.135 ( 0.719 1.245 7.967) 8.096 18.463 ( 3.114 5.394 2.239) 6.619 18.761 ( 9.928 17.196 -3.037) 20.087 19.837 ( -7.252 -12.561 -19.752) 24.505 19.964 ( -3.909 -6.771 -5.414) 9.510 21.316 ( -0.338 -0.585 -0.390) 0.780 21.375 ( -0.909 -1.575 -0.191) 1.828 21.659 ( -2.426 -4.201 7.397) 8.846 ======================= Grid point 513 (100/162) ======================= q-point: ( 0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.914 ( 0.761 19.774 -8.799) 21.657 4.552 ( 1.578 13.670 -2.904) 14.064 4.678 ( -5.497 3.730 -10.592) 12.503 5.083 ( -10.855 4.893 11.870) 16.812 5.519 ( 10.387 -14.310 11.444) 21.063 6.084 ( 5.701 7.286 -3.416) 9.862 7.141 ( 9.199 0.663 0.078) 9.223 7.338 ( -1.345 -7.996 3.076) 8.672 7.917 ( -7.216 -25.895 3.390) 27.095 8.922 ( 2.246 7.482 -8.832) 11.791 9.271 ( -2.962 -8.405 -6.908) 11.275 10.388 ( 13.205 29.491 3.337) 32.484 10.937 ( -32.769 5.571 0.843) 33.250 11.551 ( 18.535 -25.989 -0.544) 31.926 13.568 ( -0.098 6.020 5.762) 8.334 14.034 ( 0.167 -6.138 -1.168) 6.250 15.498 ( -2.783 7.992 0.563) 8.481 16.771 ( 5.659 11.321 -1.267) 12.720 17.251 ( -1.815 -11.338 0.006) 11.482 18.186 ( -0.153 5.704 10.071) 11.576 18.475 ( 1.114 -5.555 12.217) 13.466 19.102 ( 7.094 18.208 -11.810) 22.833 19.557 ( -15.299 -0.609 -14.352) 20.987 19.896 ( 6.627 -13.912 -11.840) 19.434 21.316 ( 0.242 0.463 -0.480) 0.710 21.348 ( -0.826 -0.819 -0.070) 1.165 21.602 ( 0.481 -3.752 7.394) 8.306 ======================= Grid point 519 (101/162) ======================= q-point: (-0.17 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -18.379 20.237 7.976) 28.478 2.608 ( -2.976 -0.921 23.530) 23.736 4.250 ( -22.405 30.696 -8.901) 39.031 5.058 ( 3.946 -13.736 4.837) 15.088 5.339 ( -2.889 8.089 0.355) 8.597 6.397 ( -2.279 8.837 -4.974) 10.393 7.041 ( 7.966 -2.534 19.786) 21.479 7.663 ( -9.009 0.066 -3.140) 9.541 7.768 ( -1.528 -0.416 -6.730) 6.913 9.665 ( 6.779 -1.189 -3.421) 7.686 10.238 ( 5.069 -9.899 -0.923) 11.159 10.298 ( 9.432 -10.103 -4.085) 14.413 11.247 ( 27.577 4.337 -1.852) 27.977 11.821 ( -23.460 -18.323 -0.624) 29.774 12.645 ( -6.950 18.623 2.587) 20.045 14.549 ( -1.272 -7.701 -0.293) 7.810 15.270 ( 9.975 13.278 -0.125) 16.608 15.564 ( -16.372 1.810 -1.001) 16.502 17.321 ( -27.675 32.251 -19.653) 46.821 17.378 ( -4.038 -0.105 4.641) 6.152 17.644 ( -5.490 8.945 -2.208) 10.725 18.283 ( 1.106 -0.826 1.632) 2.138 20.073 ( -1.574 1.460 -1.576) 2.663 20.780 ( 16.489 -23.448 1.281) 28.694 21.415 ( 1.021 -0.718 -0.177) 1.261 21.539 ( 1.841 -1.901 -1.335) 2.964 22.279 ( 5.715 -1.331 1.525) 6.062 ======================= Grid point 525 (102/162) ======================= q-point: ( 0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.287 ( -8.886 -15.391 -11.690) 21.272 4.287 ( 8.886 15.391 -11.690) 21.272 5.136 ( -1.456 -2.522 11.773) 12.128 5.136 ( 1.456 2.522 11.773) 12.128 5.199 ( 0.000 0.000 -0.817) 0.817 6.160 ( -0.000 -0.000 -2.775) 2.775 7.122 ( -0.000 -0.000 -0.836) 0.836 7.451 ( -8.917 -15.445 3.881) 18.252 7.451 ( 8.917 15.445 3.881) 18.252 9.097 ( -4.556 -7.890 -7.839) 12.019 9.097 ( 4.556 7.890 -7.839) 12.019 10.954 ( -8.963 -15.525 2.611) 18.116 10.954 ( 8.963 15.525 2.611) 18.116 11.063 ( -0.000 -0.000 -1.764) 1.764 13.628 ( -0.000 -0.000 5.851) 5.851 13.972 ( -0.000 -0.000 -1.265) 1.265 15.579 ( -0.000 -0.000 0.616) 0.616 17.010 ( -6.257 -10.838 -0.660) 12.532 17.010 ( 6.257 10.838 -0.660) 12.532 18.328 ( -4.043 -7.003 12.370) 14.778 18.328 ( 4.043 7.003 12.370) 14.778 19.346 ( -0.000 -0.000 -21.830) 21.830 19.626 ( -5.113 -8.856 -9.197) 13.753 19.626 ( 5.113 8.856 -9.197) 13.753 21.331 ( -0.432 -0.747 -0.351) 0.932 21.331 ( 0.432 0.747 -0.351) 0.932 21.563 ( -0.000 -0.000 7.783) 7.783 ======================= Grid point 532 (103/162) ======================= q-point: (-0.25 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -9.209 5.993 7.031) 13.044 2.799 ( -10.557 20.143 5.838) 23.480 4.651 ( -0.423 -2.065 3.479) 4.068 4.930 ( -9.614 -8.784 -5.387) 14.093 5.616 ( -10.635 23.348 -1.329) 25.690 6.455 ( 3.638 4.864 -2.704) 6.649 7.034 ( -4.095 8.361 17.380) 19.716 7.790 ( -2.749 -1.162 -5.517) 6.273 7.864 ( -12.133 2.467 -1.417) 12.462 9.505 ( 11.478 -2.088 -0.450) 11.676 9.935 ( 12.509 -10.625 -6.144) 17.525 10.101 ( 3.151 -14.946 -2.609) 15.496 10.784 ( 30.730 5.566 -0.884) 31.243 12.037 ( -22.726 -18.475 0.500) 29.292 12.893 ( -3.151 14.390 5.250) 15.639 14.494 ( -2.931 -11.116 -0.059) 11.496 15.154 ( 13.767 10.140 0.160) 17.099 15.960 ( -20.033 9.029 -1.471) 22.023 17.474 ( -8.307 -1.857 4.731) 9.738 17.828 ( -4.373 11.222 -5.818) 13.376 18.010 ( -20.590 19.611 -10.180) 30.202 18.236 ( 2.119 -1.954 2.075) 3.552 20.071 ( 4.888 -3.367 -0.629) 5.968 20.291 ( 10.876 -18.317 -3.066) 21.522 21.389 ( 1.271 -0.354 -0.770) 1.528 21.484 ( 2.405 -1.598 -1.167) 3.115 22.183 ( 5.824 1.832 0.559) 6.131 ======================= Grid point 533 (104/162) ======================= q-point: (-0.17 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -3.282 5.685 13.746) 15.233 2.827 ( -17.733 30.714 4.327) 35.728 4.681 ( -6.997 12.120 -11.414) 18.059 4.740 ( 9.201 -15.937 6.678) 19.577 5.646 ( -11.876 20.570 -0.125) 23.752 6.511 ( -1.242 2.151 -4.372) 5.028 7.049 ( -3.033 5.253 20.009) 20.908 7.752 ( -4.815 8.340 -2.334) 9.909 7.767 ( 0.057 -0.099 -6.318) 6.319 9.600 ( 3.769 -6.528 -1.157) 7.626 9.971 ( 10.029 -17.371 -3.264) 20.322 10.069 ( 5.802 -10.049 -5.643) 12.903 11.396 ( 2.756 -4.774 2.291) 5.969 11.428 ( 3.970 -6.876 -2.707) 8.389 12.943 ( -6.767 11.721 5.425) 14.581 14.410 ( 3.735 -6.469 0.329) 7.477 15.386 ( 0.926 -1.604 0.199) 1.863 15.770 ( -11.021 19.090 -1.845) 22.120 17.389 ( -0.944 1.635 5.335) 5.660 17.845 ( -6.383 11.056 -3.838) 13.331 17.932 ( -15.746 27.273 -13.686) 34.338 18.246 ( 1.717 -2.974 2.007) 3.977 20.091 ( -0.000 0.001 -2.265) 2.265 20.298 ( 13.830 -23.954 0.218) 27.661 21.399 ( 0.515 -0.893 -0.782) 1.294 21.497 ( 1.279 -2.216 -1.080) 2.777 22.245 ( 1.156 -2.002 -0.301) 2.331 ======================= Grid point 545 (105/162) ======================= q-point: (-0.33 0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -13.565 5.392 1.043) 14.635 3.080 ( 3.512 22.406 -2.824) 22.854 4.417 ( 8.446 -17.196 9.890) 21.560 5.172 ( -17.239 3.208 0.521) 17.543 6.009 ( -8.119 17.312 -10.163) 21.654 6.364 ( 9.047 -0.932 2.164) 9.349 7.344 ( -15.429 18.213 9.091) 25.543 7.828 ( -3.840 -2.588 -5.395) 7.109 8.129 ( -13.698 4.135 0.410) 14.315 9.189 ( 16.734 -9.865 -0.901) 19.446 9.657 ( 8.045 -15.682 -3.322) 17.935 9.894 ( 5.850 -6.056 -3.646) 9.176 10.355 ( 26.539 9.725 0.440) 28.268 12.223 ( -20.140 -18.887 1.442) 27.648 13.047 ( -0.372 10.839 6.407) 12.597 14.426 ( -3.539 -13.526 -0.164) 13.982 15.039 ( 12.493 12.960 -0.219) 18.003 16.375 ( -16.671 9.211 -1.343) 19.093 17.599 ( -9.199 -5.723 2.364) 11.089 17.994 ( -1.251 11.799 -7.987) 14.303 18.169 ( 0.292 -1.379 6.396) 6.550 18.425 ( -9.998 6.431 1.906) 12.040 19.755 ( 13.892 -10.082 -4.090) 17.645 20.177 ( -2.557 -5.511 -8.040) 10.077 21.366 ( 1.227 0.028 -1.140) 1.675 21.430 ( 2.333 -0.712 -0.880) 2.593 22.116 ( 5.141 3.643 -0.088) 6.301 ======================= Grid point 546 (106/162) ======================= q-point: (-0.25 0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( -8.657 8.995 4.581) 13.298 3.389 ( -6.363 35.109 0.793) 35.690 4.414 ( 9.950 -15.496 7.858) 20.022 4.879 ( -13.621 -0.672 -2.418) 13.850 6.041 ( -9.205 18.142 -8.313) 21.977 6.468 ( 5.467 -3.885 -1.873) 6.963 7.288 ( -11.417 17.131 13.929) 24.856 7.761 ( -0.819 -2.169 -5.549) 6.014 7.966 ( -10.130 7.661 0.126) 12.701 9.360 ( 13.649 -11.870 -0.681) 18.102 9.587 ( 9.370 -23.330 -5.643) 25.766 9.963 ( 1.980 1.893 -4.160) 4.981 10.963 ( 31.888 10.135 0.708) 33.468 11.623 ( -24.650 -22.543 1.188) 33.425 13.124 ( -2.727 9.069 7.013) 11.784 14.289 ( 1.180 -9.410 -0.064) 9.484 15.331 ( 7.319 7.119 0.102) 10.211 16.187 ( -16.502 14.267 -1.627) 21.875 17.436 ( -4.117 -1.810 4.460) 6.334 18.059 ( -4.992 11.452 -5.859) 13.798 18.173 ( 2.258 -3.266 3.967) 5.612 18.356 ( -9.132 12.923 -2.054) 15.957 19.865 ( 12.320 -13.981 -4.426) 19.153 20.084 ( -1.215 -4.934 -4.440) 6.748 21.382 ( 0.707 -0.383 -1.170) 1.419 21.454 ( 1.569 -1.437 -0.843) 2.288 22.205 ( 2.506 0.500 -1.379) 2.904 ======================= Grid point 558 (107/162) ======================= q-point: (-0.42 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 10.131 19.669 -7.506) 23.364 3.212 ( -8.807 3.824 -4.157) 10.463 4.134 ( 3.319 -14.208 13.993) 20.216 5.507 ( -11.646 7.787 1.137) 14.056 6.131 ( 7.144 -3.940 5.289) 9.723 6.236 ( 0.769 7.063 -6.377) 9.547 7.804 ( -8.113 10.971 -1.823) 13.766 7.904 ( -14.040 4.703 -6.016) 15.982 8.265 ( 7.406 -2.457 -4.529) 9.022 8.939 ( -6.363 -6.521 2.780) 9.525 9.274 ( 11.549 -22.359 1.238) 25.196 9.839 ( 6.371 12.542 -0.369) 14.072 10.094 ( 13.553 7.973 -1.049) 15.759 12.337 ( -15.667 -20.947 2.013) 26.235 13.123 ( 2.483 8.165 6.765) 10.890 14.365 ( -5.388 -13.075 -0.470) 14.150 14.985 ( 10.282 15.212 -0.324) 18.364 16.664 ( -6.899 5.187 -1.443) 8.751 17.640 ( -5.141 -9.557 -1.230) 10.921 18.085 ( 2.563 8.796 -9.883) 13.476 18.228 ( -5.643 1.426 12.739) 14.006 18.496 ( 0.205 -4.991 10.814) 11.912 19.537 ( 5.614 0.176 -9.201) 10.780 20.172 ( -3.230 -5.817 -10.849) 12.726 21.349 ( 0.967 0.517 -1.426) 1.799 21.398 ( 1.172 0.449 -0.486) 1.346 22.080 ( 3.888 4.906 -0.370) 6.271 ======================= Grid point 559 (108/162) ======================= q-point: (-0.33 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -9.844 8.450 -2.933) 13.301 3.680 ( 11.928 35.337 -0.337) 37.297 4.099 ( 9.085 -13.800 9.085) 18.855 5.227 ( -24.849 2.378 2.929) 25.133 6.231 ( 10.377 -8.193 -0.605) 13.235 6.306 ( -1.968 8.345 -6.549) 10.789 7.711 ( -14.136 9.272 -2.207) 17.049 7.772 ( -5.135 5.290 -0.988) 7.438 8.216 ( -9.638 4.192 1.466) 10.612 8.965 ( 14.887 -11.489 -4.144) 19.256 9.211 ( 7.954 -22.594 -3.567) 24.218 10.018 ( 0.140 12.265 -0.521) 12.277 10.544 ( 27.040 8.756 1.870) 28.484 11.788 ( -21.072 -24.330 2.043) 32.251 13.225 ( 0.182 7.014 7.685) 10.407 14.191 ( -1.363 -9.983 -0.676) 10.098 15.291 ( 8.295 11.765 0.229) 14.397 16.572 ( -12.347 10.852 -1.533) 16.510 17.463 ( -3.769 -7.725 1.159) 8.673 18.121 ( -0.392 -1.089 6.068) 6.178 18.242 ( -3.195 9.588 -3.744) 10.778 18.480 ( 1.400 -0.276 7.753) 7.883 19.628 ( 5.819 -2.214 -9.635) 11.471 20.052 ( -2.393 -7.158 -7.611) 10.719 21.369 ( 0.739 0.272 -1.333) 1.548 21.419 ( 1.217 -0.488 -0.636) 1.457 22.174 ( 2.620 2.225 -1.890) 3.923 ======================= Grid point 560 (109/162) ======================= q-point: (-0.25 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -7.068 12.242 0.089) 14.136 3.976 ( -2.769 4.795 4.206) 6.953 4.215 ( -6.388 11.064 3.031) 13.131 4.907 ( -3.673 6.362 2.730) 7.837 6.287 ( 8.479 -14.687 -0.080) 16.959 6.328 ( -6.403 11.090 -8.842) 15.562 7.630 ( -5.293 9.167 -2.122) 10.796 7.753 ( -4.990 8.642 1.362) 10.072 8.143 ( -5.430 9.405 2.491) 11.141 9.089 ( 8.842 -15.315 -0.672) 17.697 9.124 ( 12.208 -21.145 -10.102) 26.424 10.082 ( -5.352 9.271 -0.338) 10.710 11.080 ( 5.589 -9.681 0.489) 11.189 11.227 ( 3.494 -6.051 3.708) 7.910 13.262 ( -2.897 5.018 8.071) 9.936 14.128 ( 3.789 -6.562 -0.721) 7.612 15.435 ( -2.103 3.642 0.504) 4.236 16.506 ( -9.790 16.957 -1.715) 19.655 17.389 ( 2.052 -3.555 2.598) 4.858 18.112 ( 1.094 -1.895 7.056) 7.387 18.254 ( -4.042 7.001 -2.759) 8.542 18.503 ( -1.347 2.334 3.829) 4.683 19.673 ( 2.653 -4.596 -10.779) 12.014 19.987 ( 2.911 -5.042 -5.362) 7.915 21.377 ( 0.049 -0.085 -1.275) 1.279 21.427 ( 0.700 -1.213 -0.679) 1.556 22.208 ( 0.045 -0.079 -2.423) 2.424 ======================= Grid point 570 (110/162) ======================= q-point: (-0.42 0.58 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 1.197 2.073 -8.273) 8.612 3.759 ( 20.662 35.787 0.757) 41.330 3.906 ( -5.090 -8.815 11.469) 15.334 5.588 ( -1.528 -2.647 1.002) 3.217 5.958 ( -5.644 -9.775 6.605) 13.078 6.386 ( 3.851 6.671 -8.325) 11.342 7.751 ( -3.698 -6.405 -5.474) 9.202 8.168 ( 2.297 3.978 2.401) 5.183 8.171 ( 0.847 1.466 -9.907) 10.051 8.823 ( -3.463 -5.997 2.963) 7.533 8.939 ( -5.334 -9.240 -5.163) 11.852 10.161 ( 9.842 17.046 2.577) 19.851 10.269 ( 6.484 11.230 1.072) 13.012 11.850 ( -15.799 -27.364 2.325) 31.683 13.258 ( 3.010 5.213 7.866) 9.905 14.151 ( -4.858 -8.414 -0.960) 9.763 15.278 ( 7.850 13.596 0.298) 15.702 16.752 ( 2.109 3.653 -1.450) 4.461 17.440 ( -5.636 -9.761 -0.950) 11.311 18.135 ( -0.635 -1.099 6.813) 6.930 18.375 ( 5.356 9.277 -3.490) 11.266 18.382 ( -2.910 -5.040 11.829) 13.183 19.579 ( 1.980 3.429 -9.957) 10.716 20.035 ( -4.358 -7.549 -9.600) 12.967 21.363 ( 0.490 0.848 -1.387) 1.698 21.406 ( 0.161 0.278 -0.531) 0.621 22.162 ( 1.866 3.232 -2.032) 4.250 ======================= Grid point 572 (111/162) ======================= q-point: (-0.33 0.58 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( -4.784 10.798 -1.931) 11.967 3.779 ( 3.916 -13.693 6.209) 15.536 4.496 ( 17.106 40.519 0.961) 43.992 5.269 ( -30.915 1.846 3.663) 31.186 5.884 ( 14.626 -24.572 2.245) 28.683 6.481 ( -0.851 6.704 -7.693) 10.240 7.640 ( -1.554 -4.475 -6.139) 7.754 8.081 ( -10.766 13.717 -1.990) 17.551 8.279 ( 0.105 1.836 4.107) 4.500 8.771 ( 5.846 -7.483 -8.411) 12.686 8.841 ( 4.370 -13.774 -5.797) 15.570 10.325 ( -7.122 18.280 2.654) 19.797 10.686 ( 26.922 5.326 3.042) 27.612 11.285 ( -18.002 -25.778 3.070) 31.591 13.328 ( 0.075 3.420 8.528) 9.189 14.037 ( -0.293 -5.354 -1.210) 5.497 15.482 ( 2.734 7.073 0.729) 7.618 16.806 ( -5.458 12.577 -1.497) 13.792 17.287 ( 0.550 -10.234 -0.045) 10.249 18.116 ( -1.287 1.266 10.297) 10.454 18.294 ( -0.314 -4.625 10.230) 11.231 18.527 ( 1.806 5.526 -6.307) 8.578 19.651 ( 1.370 3.750 -10.572) 11.301 19.900 ( -1.177 -7.845 -7.919) 11.210 21.378 ( 0.207 0.662 -1.196) 1.383 21.408 ( 0.351 -0.662 -0.678) 1.011 22.206 ( 0.710 1.047 -2.861) 3.128 ======================= Grid point 585 (112/162) ======================= q-point: (-0.33 -0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( -6.407 -11.098 1.949) 12.962 3.513 ( 6.407 11.098 1.949) 12.962 5.243 ( 0.000 0.000 -1.260) 1.260 5.297 ( -6.350 -10.999 4.363) 13.429 5.297 ( 6.350 10.999 4.363) 13.429 6.550 ( 0.000 0.000 -7.078) 7.078 7.591 ( -0.000 -0.000 -6.160) 6.160 8.263 ( -2.259 -3.913 1.546) 4.775 8.263 ( 2.259 3.913 1.546) 4.775 8.694 ( -0.462 -0.801 -9.302) 9.347 8.694 ( 0.462 0.801 -9.302) 9.347 10.635 ( 0.000 0.000 3.135) 3.135 10.819 ( -8.357 -14.475 3.921) 17.168 10.819 ( 8.357 14.475 3.921) 17.168 13.361 ( 0.000 0.000 8.811) 8.811 13.984 ( 0.000 0.000 -1.414) 1.414 15.555 ( 0.000 0.000 0.904) 0.904 17.059 ( -6.262 -10.847 -1.019) 12.566 17.059 ( 6.262 10.847 -1.019) 12.566 18.181 ( -2.582 -4.471 12.274) 13.316 18.181 ( 2.582 4.471 12.274) 13.316 18.594 ( 0.000 0.000 -9.691) 9.691 19.755 ( -3.251 -5.632 -9.051) 11.145 19.755 ( 3.251 5.632 -9.051) 11.145 21.393 ( -0.400 -0.693 -0.914) 1.215 21.393 ( 0.400 0.693 -0.914) 1.215 22.216 ( 0.000 0.000 -3.165) 3.165 ======================= Grid point 628 (113/162) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 0.000 0.000 14.059) 14.059 2.191 ( 0.000 -0.000 14.059) 14.059 3.551 ( 0.000 0.000 19.901) 19.901 5.143 ( 0.000 0.000 -6.775) 6.775 5.143 ( 0.000 -0.000 -6.775) 6.775 6.042 ( 0.000 0.000 1.094) 1.094 7.456 ( 0.000 0.000 -3.959) 3.959 7.456 ( 0.000 0.000 -3.959) 3.959 8.568 ( 0.000 0.000 14.610) 14.610 9.898 ( 0.000 0.000 -16.056) 16.056 10.391 ( -0.000 0.000 1.959) 1.959 10.391 ( 0.000 -0.000 1.959) 1.959 10.737 ( 0.000 0.000 -3.006) 3.006 11.972 ( -0.000 -0.000 0.196) 0.196 11.972 ( 0.000 -0.000 0.196) 0.196 14.702 ( -0.000 0.000 -1.813) 1.813 14.702 ( 0.000 0.000 -1.813) 1.813 15.576 ( 0.000 0.000 2.591) 2.591 15.576 ( 0.000 -0.000 2.591) 2.591 17.377 ( 0.000 -0.000 1.341) 1.341 17.377 ( 0.000 -0.000 1.341) 1.341 18.308 ( 0.000 0.000 1.520) 1.520 19.945 ( 0.000 0.000 -0.892) 0.892 21.470 ( 0.000 -0.000 1.161) 1.161 21.591 ( 0.000 0.000 -1.026) 1.026 21.591 ( -0.000 0.000 -1.026) 1.026 22.629 ( 0.000 -0.000 -0.858) 0.858 ======================= Grid point 629 (114/162) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -3.366 15.726 15.699) 22.474 2.600 ( 34.859 2.029 9.164) 36.101 3.468 ( -7.041 -1.096 14.795) 16.421 5.080 ( 2.711 -4.329 -0.537) 5.136 5.301 ( 3.895 9.506 -8.846) 13.557 6.047 ( 1.823 -1.230 -0.116) 2.202 7.436 ( -0.665 -2.998 -0.792) 3.171 7.500 ( 3.421 1.087 -3.920) 5.315 8.199 ( -25.184 -8.266 10.030) 28.340 9.744 ( -6.089 -5.643 -6.972) 10.841 10.377 ( 0.389 -3.390 1.882) 3.897 10.588 ( -3.967 -2.356 -3.324) 5.686 11.035 ( 26.760 17.833 -3.681) 32.368 11.917 ( -3.996 3.848 0.525) 5.572 12.019 ( 5.934 -2.123 -0.559) 6.327 14.683 ( -2.936 2.637 -1.391) 4.185 14.818 ( 10.392 2.827 -2.348) 11.022 15.546 ( -0.483 -4.321 2.433) 4.982 15.831 ( 20.180 14.899 -0.846) 25.099 17.389 ( 1.079 0.895 1.661) 2.174 17.412 ( 2.909 1.750 0.870) 3.505 18.314 ( 0.473 0.158 1.435) 1.519 19.967 ( 1.788 1.060 -0.900) 2.265 21.449 ( -3.174 -2.279 1.260) 4.105 21.499 ( -7.398 -2.645 -1.432) 7.986 21.577 ( -0.959 -0.952 -1.015) 1.690 22.537 ( -6.849 -4.944 0.202) 8.449 ======================= Grid point 630 (115/162) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 2.444 14.479 8.833) 17.136 3.087 ( 6.590 -3.418 19.081) 20.474 3.566 ( 25.670 14.182 -5.463) 29.831 5.143 ( 8.776 -3.742 5.184) 10.858 5.389 ( -6.315 9.277 -4.797) 12.205 6.104 ( 7.394 -2.783 -3.522) 8.650 7.319 ( -4.094 -11.122 8.584) 14.634 7.591 ( 4.785 2.564 -4.312) 6.932 7.857 ( -11.520 6.754 1.101) 13.400 9.594 ( -4.427 -6.653 -3.602) 8.765 10.335 ( -0.896 -4.811 1.467) 5.109 10.384 ( -12.395 -7.406 -3.050) 14.757 11.241 ( -11.794 -3.782 -2.238) 12.586 12.112 ( 1.222 17.579 0.475) 17.628 12.199 ( 26.357 -0.167 -1.182) 26.384 14.660 ( -2.479 2.642 -1.418) 3.891 15.044 ( 8.330 2.830 -0.836) 8.838 15.519 ( 3.708 -0.602 0.740) 3.829 16.507 ( 34.679 21.675 -6.963) 41.484 17.442 ( 3.287 2.605 2.344) 4.805 17.504 ( 4.771 3.165 -0.418) 5.740 18.318 ( -0.105 -0.386 1.347) 1.405 20.018 ( 2.358 1.446 -0.992) 2.938 21.161 ( -19.752 -8.959 -0.510) 21.695 21.435 ( -1.902 -0.895 0.053) 2.102 21.542 ( -1.778 -1.453 -0.958) 2.488 22.348 ( -6.987 -7.087 1.542) 10.071 ======================= Grid point 631 (116/162) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 5.205 8.980 0.311) 10.384 3.055 ( -2.499 2.526 12.383) 12.883 4.303 ( 33.696 17.044 -5.051) 38.098 5.265 ( -15.400 5.533 0.436) 16.369 5.290 ( 12.617 -4.370 4.651) 14.139 6.219 ( 8.560 -3.707 -3.795) 10.071 7.193 ( 1.634 -6.136 11.097) 12.785 7.690 ( 1.717 4.809 -6.478) 8.248 7.873 ( 2.610 8.856 0.710) 9.260 9.471 ( -2.284 -6.060 -0.938) 6.543 10.028 ( -17.288 -11.518 -3.541) 21.073 10.252 ( -2.781 -6.117 0.642) 6.750 10.845 ( -23.697 -8.006 -2.293) 25.118 12.285 ( 5.899 8.028 -0.125) 9.963 12.647 ( 17.274 7.712 1.919) 19.015 14.653 ( -1.505 2.803 -1.296) 3.435 15.039 ( -5.032 -5.849 1.193) 7.807 15.759 ( 16.708 9.322 -1.111) 19.165 17.333 ( 32.885 19.662 -8.625) 39.274 17.556 ( 5.774 4.435 2.701) 7.766 17.642 ( 8.020 5.686 -2.030) 10.039 18.299 ( -1.112 -1.056 1.710) 2.297 20.061 ( 0.984 0.652 -1.216) 1.694 20.654 ( -26.020 -11.712 -0.674) 28.542 21.392 ( -1.713 -1.227 -0.175) 2.114 21.489 ( -2.334 -1.831 -0.856) 3.087 22.180 ( -4.269 -6.880 1.529) 8.241 ======================= Grid point 632 (117/162) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 4.381 7.113 -6.514) 10.594 3.084 ( 1.064 4.583 7.338) 8.717 4.888 ( 4.110 9.379 6.611) 12.189 5.071 ( 0.262 5.324 -1.909) 5.662 5.504 ( 16.825 -0.995 -3.610) 17.237 6.299 ( 5.330 -4.589 -0.329) 7.041 7.263 ( 10.096 -1.074 9.003) 13.570 7.754 ( 0.423 5.128 -6.120) 7.996 8.066 ( 8.632 7.361 0.589) 11.359 9.374 ( -6.681 -3.772 4.129) 8.713 9.623 ( -11.424 -11.596 -6.516) 17.533 10.118 ( -2.422 -12.332 0.158) 12.569 10.333 ( -28.287 -2.950 -2.400) 28.541 12.468 ( 6.160 7.144 0.165) 9.434 12.937 ( 9.398 5.440 3.330) 11.358 14.661 ( -1.291 3.320 -1.036) 3.710 14.853 ( -7.114 -7.883 0.914) 10.658 16.168 ( 17.637 10.343 -0.982) 20.470 17.678 ( 8.578 -3.513 -0.911) 9.314 17.718 ( 1.154 11.577 -2.678) 11.939 18.147 ( 26.949 16.388 -2.740) 31.659 18.285 ( 1.384 0.920 3.280) 3.677 19.989 ( -15.644 -8.650 1.895) 17.976 20.146 ( -11.927 -4.545 -6.231) 14.203 21.355 ( -1.267 -1.208 -0.421) 1.801 21.430 ( -2.213 -1.887 -0.610) 2.972 22.064 ( -1.910 -6.021 0.954) 6.388 ======================= Grid point 633 (118/162) ======================= q-point: ( 0.42 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 0.286 5.789 -10.091) 11.637 3.164 ( 2.670 4.099 2.598) 5.540 4.718 ( -14.485 4.987 11.891) 19.393 5.297 ( 10.509 -2.844 -2.993) 11.291 5.845 ( 16.426 5.770 -5.657) 18.306 6.311 ( 1.033 -3.870 4.109) 5.739 7.496 ( 16.690 0.441 3.673) 17.095 7.804 ( 0.328 2.985 -5.351) 6.136 8.215 ( 0.306 -0.574 -1.915) 2.022 9.150 ( -7.328 1.038 3.021) 7.994 9.532 ( 3.247 -2.859 -1.786) 4.680 9.790 ( -17.471 -17.615 0.303) 24.812 9.992 ( -11.087 3.559 -2.183) 11.847 12.619 ( 3.686 5.266 0.576) 6.454 13.092 ( 3.798 3.545 3.666) 6.358 14.665 ( -10.850 14.017 0.103) 17.726 14.683 ( 5.187 -17.156 -0.514) 17.931 16.521 ( 12.178 7.070 -0.924) 14.111 17.737 ( 4.077 -7.158 -0.235) 8.242 17.799 ( -2.931 9.115 -6.156) 11.383 18.405 ( 8.817 7.461 7.434) 13.736 18.655 ( 13.720 10.231 4.049) 17.587 19.502 ( -19.445 -11.854 -3.270) 23.007 20.055 ( -2.885 -0.827 -7.879) 8.431 21.324 ( -0.961 -1.111 -0.719) 1.635 21.386 ( -0.891 -1.279 -0.160) 1.567 21.995 ( 0.172 -4.971 0.500) 4.999 ======================= Grid point 634 (119/162) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( -2.584 4.475 -10.410) 11.622 3.218 ( -0.922 1.597 -0.785) 2.004 4.609 ( -5.945 10.297 14.513) 18.761 5.369 ( 5.481 -9.494 -6.525) 12.757 6.043 ( 1.116 -1.933 -3.563) 4.205 6.284 ( 0.480 -0.831 7.824) 7.883 7.760 ( 2.775 -4.806 -0.291) 5.558 7.784 ( 3.624 -6.277 -5.753) 9.254 8.110 ( -2.088 3.616 -3.094) 5.197 9.243 ( 2.016 -3.492 2.745) 4.878 9.396 ( -7.527 13.037 2.573) 15.272 9.580 ( 4.808 -8.328 -1.020) 9.670 9.905 ( -1.375 2.381 -2.230) 3.540 12.680 ( -1.273 2.206 0.777) 2.663 13.142 ( -0.810 1.404 3.685) 4.025 14.603 ( -1.497 2.592 0.347) 3.013 14.677 ( 1.468 -2.542 -0.902) 3.071 16.672 ( 0.017 -0.030 -0.974) 0.974 17.719 ( 2.684 -4.649 -0.198) 5.372 17.820 ( -2.863 4.959 -7.025) 9.063 18.609 ( -2.279 3.948 10.510) 11.456 18.771 ( -1.889 3.272 11.077) 11.704 19.250 ( 2.008 -3.479 -10.170) 10.934 20.020 ( -0.336 0.583 -9.699) 9.722 21.308 ( 0.252 -0.436 -0.822) 0.964 21.373 ( 0.356 -0.617 0.037) 0.713 21.972 ( 2.210 -3.828 0.344) 4.433 ======================= Grid point 642 (120/162) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 6.629 11.482 -0.630) 13.273 2.762 ( 10.502 18.191 20.054) 29.041 3.498 ( 4.950 8.574 6.083) 11.620 5.035 ( 0.113 0.196 4.630) 4.635 5.512 ( 5.388 9.332 -10.022) 14.715 6.007 ( -1.275 -2.209 0.989) 2.736 7.301 ( -5.663 -9.808 9.084) 14.518 7.556 ( 2.780 4.815 -5.363) 7.725 8.019 ( -3.968 -6.873 -0.214) 7.939 9.601 ( -4.376 -7.579 -2.747) 9.172 10.288 ( -3.279 -5.679 3.020) 7.220 10.456 ( -6.059 -10.495 -2.825) 12.444 11.432 ( 7.485 12.964 -3.638) 15.405 11.822 ( -4.286 -7.423 -1.945) 8.789 12.230 ( 11.645 20.170 0.635) 23.299 14.684 ( -1.305 -2.260 -3.074) 4.032 15.015 ( 9.004 15.595 -1.800) 18.098 15.452 ( -2.617 -4.533 3.596) 6.351 16.323 ( 19.253 33.347 -6.226) 39.005 17.416 ( 1.185 2.053 1.885) 3.029 17.490 ( 3.374 5.845 -0.140) 6.750 18.316 ( -0.083 -0.143 1.486) 1.495 20.003 ( 1.379 2.389 -0.990) 2.931 21.285 ( -8.425 -14.593 -1.405) 16.909 21.454 ( -1.128 -1.954 -0.367) 2.286 21.547 ( -1.153 -1.997 -0.730) 2.418 22.374 ( -5.872 -10.171 2.691) 12.049 ======================= Grid point 643 (121/162) ======================= q-point: ( 0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -5.556 21.666 -0.246) 22.369 3.027 ( 9.260 -1.361 10.156) 13.811 3.957 ( 25.952 23.963 -1.149) 35.342 5.075 ( 5.424 -3.271 5.770) 8.568 5.577 ( -9.484 8.769 -4.207) 13.584 6.013 ( 7.781 -6.272 1.034) 10.048 7.134 ( -2.138 -6.521 11.921) 13.755 7.688 ( 4.979 7.504 -5.660) 10.637 7.939 ( -2.615 1.105 -3.485) 4.495 9.468 ( -3.291 -4.960 0.756) 6.000 10.121 ( -7.393 -14.455 1.436) 16.299 10.204 ( -7.476 -12.202 -1.758) 14.418 11.315 ( -26.397 9.429 -3.444) 28.241 11.907 ( 22.701 -16.251 -2.196) 28.004 12.654 ( 9.687 23.373 1.791) 25.364 14.626 ( -0.619 -5.581 -2.557) 6.170 15.220 ( -9.181 12.058 1.216) 15.204 15.516 ( 18.251 2.461 -0.314) 18.419 17.076 ( 26.939 33.663 -9.103) 44.065 17.478 ( 4.053 1.584 2.055) 4.812 17.634 ( 4.614 9.145 -1.843) 10.407 18.302 ( -0.741 -1.288 1.739) 2.288 20.048 ( 1.309 1.283 -1.255) 2.221 20.888 ( -17.924 -18.472 -2.781) 25.888 21.410 ( -1.804 -1.618 -0.126) 2.426 21.501 ( -1.555 -2.398 -0.555) 2.911 22.181 ( -4.967 -8.813 4.489) 11.067 ======================= Grid point 644 (122/162) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -2.975 20.700 -4.570) 21.406 3.152 ( 1.059 9.824 4.355) 10.798 4.661 ( 27.882 17.576 -2.561) 33.059 5.110 ( 3.837 -9.804 -1.938) 10.705 5.450 ( -10.036 9.110 5.110) 14.485 6.105 ( 9.612 -7.556 2.900) 12.566 7.121 ( 4.799 -1.478 10.403) 11.551 7.812 ( -0.894 5.742 -5.804) 8.213 7.985 ( 7.123 3.538 -1.579) 8.109 9.409 ( -0.990 0.896 3.837) 4.063 9.735 ( -15.831 -18.208 -2.307) 24.238 9.979 ( -3.546 -17.430 -0.503) 17.795 10.913 ( -30.281 10.674 -3.835) 32.336 12.140 ( 21.671 -14.797 -1.916) 26.311 12.987 ( 4.668 18.939 2.788) 19.703 14.551 ( 1.092 -10.757 -1.666) 10.940 15.111 ( -12.768 9.831 1.466) 16.181 15.938 ( 20.356 9.607 -1.326) 22.548 17.544 ( 4.878 0.394 0.847) 4.967 17.790 ( 7.649 16.593 -5.446) 19.065 17.896 ( 22.632 21.798 -4.462) 31.737 18.273 ( -0.274 -1.357 2.664) 3.002 20.054 ( -1.584 -1.906 -1.164) 2.738 20.351 ( -21.154 -18.265 -4.378) 28.289 21.365 ( -1.510 -1.507 -0.089) 2.135 21.447 ( -2.012 -2.198 -0.355) 3.000 22.036 ( -2.683 -7.167 4.612) 8.935 ======================= Grid point 645 (123/162) ======================= q-point: ( 0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -3.383 22.436 -11.442) 25.411 3.249 ( -3.805 14.373 3.098) 15.187 4.964 ( -8.994 -5.575 -1.694) 10.716 5.098 ( 9.350 2.805 4.065) 10.574 5.616 ( 16.913 10.403 -1.765) 19.935 6.176 ( 7.310 -7.594 5.936) 12.097 7.249 ( 11.123 -0.813 7.636) 13.517 7.806 ( -0.600 -2.447 -2.633) 3.644 8.176 ( 6.368 5.807 -2.022) 8.853 9.252 ( -13.275 -16.822 0.616) 21.438 9.476 ( 1.468 0.619 -0.225) 1.609 9.746 ( -4.178 -11.701 -0.493) 12.434 10.515 ( -29.105 12.392 -3.170) 31.792 12.341 ( 18.256 -14.601 -1.446) 23.421 13.196 ( 0.077 15.564 2.750) 15.806 14.453 ( 2.453 -14.469 -0.925) 14.705 15.013 ( -12.145 13.930 0.579) 18.490 16.355 ( 16.469 8.991 -1.073) 18.794 17.592 ( 3.417 -5.371 0.014) 6.366 17.963 ( -1.764 12.119 -5.514) 13.431 18.323 ( 7.368 4.528 4.388) 9.698 18.503 ( 18.861 17.641 -0.419) 25.828 19.728 ( -21.784 -16.044 -1.913) 27.122 20.066 ( -1.794 -4.946 -7.309) 9.005 21.330 ( -1.051 -1.187 -0.203) 1.598 21.395 ( -1.692 -1.483 0.061) 2.251 21.944 ( -0.645 -5.842 4.230) 7.242 ======================= Grid point 646 (124/162) ======================= q-point: ( 0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( -11.249 24.730 -14.878) 30.976 3.314 ( -4.216 12.035 0.675) 12.770 4.793 ( -6.145 0.418 3.635) 7.152 5.181 ( 4.478 -5.082 2.682) 7.285 5.969 ( 9.511 5.505 -2.276) 11.222 6.207 ( 4.696 -6.830 8.033) 11.543 7.484 ( 17.066 -1.674 2.969) 17.403 7.725 ( -2.380 -11.314 -0.472) 11.571 8.224 ( -4.776 2.588 -2.528) 5.991 9.019 ( 6.086 -14.727 0.722) 15.951 9.382 ( -1.767 -12.964 -4.309) 13.775 9.764 ( -2.421 19.943 2.492) 20.244 10.181 ( -21.463 10.943 -1.782) 24.157 12.461 ( 13.320 -16.580 -1.043) 21.293 13.301 ( -4.361 12.905 2.447) 13.840 14.371 ( 5.241 -13.998 -0.673) 14.962 14.969 ( -10.549 16.243 0.144) 19.369 16.638 ( 6.859 4.844 -0.932) 8.449 17.565 ( 3.155 -9.205 -0.655) 9.752 17.997 ( -5.275 9.762 -4.470) 11.963 18.591 ( 11.757 10.946 4.753) 16.752 18.831 ( 2.208 6.324 8.543) 10.856 19.260 ( -12.260 -11.305 -8.269) 18.614 20.000 ( 0.148 -4.793 -9.736) 10.853 21.307 ( -0.561 -0.485 -0.397) 0.841 21.366 ( -0.388 -0.703 0.500) 0.946 21.898 ( 1.337 -4.637 3.969) 6.248 ======================= Grid point 655 (125/162) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 3.468 6.006 3.322) 7.690 3.195 ( 12.196 21.124 -5.133) 24.927 4.467 ( 15.348 26.584 -2.766) 30.821 5.004 ( -2.450 -4.243 1.697) 5.186 5.687 ( 0.127 0.220 -1.853) 1.871 5.900 ( -1.337 -2.317 8.981) 9.371 7.073 ( -0.023 -0.040 10.661) 10.661 7.884 ( 6.680 11.571 -5.387) 14.406 7.905 ( -2.233 -3.868 -3.031) 5.398 9.428 ( 0.685 1.186 3.939) 4.171 9.774 ( -12.394 -21.467 1.634) 24.842 9.927 ( -8.005 -13.865 -3.119) 16.311 11.539 ( -1.001 -1.735 -5.212) 5.583 11.561 ( -2.553 -4.423 -1.591) 5.349 13.048 ( 9.492 16.440 2.605) 19.161 14.484 ( -4.678 -8.103 -1.646) 9.500 15.330 ( -0.101 -0.175 1.767) 1.778 15.752 ( 11.277 19.532 -1.884) 22.632 17.510 ( 0.961 1.664 1.961) 2.745 17.763 ( 19.029 32.960 -7.998) 38.890 17.848 ( 7.532 13.046 -3.816) 15.541 18.269 ( -1.080 -1.870 2.493) 3.298 20.055 ( -0.552 -0.956 -1.799) 2.111 20.447 ( -14.552 -25.204 -4.787) 29.495 21.372 ( -1.199 -2.077 -0.082) 2.400 21.453 ( -1.370 -2.374 -0.133) 2.744 22.022 ( -3.999 -6.926 6.333) 10.201 ======================= Grid point 656 (126/162) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 3.727 13.317 -5.264) 14.797 3.577 ( 0.134 30.819 -2.904) 30.956 4.886 ( -0.934 -9.858 -5.019) 11.102 4.971 ( 16.941 10.188 -4.532) 20.282 5.633 ( -5.487 9.721 6.095) 12.719 5.943 ( 9.325 -8.051 10.109) 15.936 7.112 ( 4.184 0.088 8.675) 9.631 7.791 ( -3.639 -7.259 0.344) 8.127 8.135 ( 7.884 11.307 -4.085) 14.377 9.279 ( -15.616 -26.602 0.309) 30.848 9.472 ( -0.828 -1.060 -0.329) 1.385 9.737 ( -0.834 -0.696 0.492) 1.192 11.158 ( -30.765 12.728 -3.737) 33.503 11.797 ( 24.306 -19.317 -3.097) 31.201 13.312 ( 4.165 13.714 2.419) 14.535 14.323 ( -2.488 -11.231 -0.972) 11.544 15.308 ( -6.507 8.786 0.778) 10.961 16.166 ( 16.240 13.611 -1.374) 21.234 17.520 ( 0.329 -2.786 1.196) 3.050 18.080 ( 3.956 14.142 -6.547) 16.078 18.255 ( 2.903 0.565 3.536) 4.610 18.390 ( 17.640 23.999 -2.296) 29.873 19.905 ( -18.318 -18.442 -4.795) 26.432 20.024 ( -1.483 -8.753 -5.021) 10.199 21.335 ( -0.979 -1.397 0.092) 1.708 21.408 ( -1.491 -1.723 0.163) 2.284 21.908 ( -2.065 -5.619 6.913) 9.145 ======================= Grid point 657 (127/162) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 1.456 15.533 -11.157) 19.180 3.790 ( -14.207 37.109 -2.317) 39.803 4.735 ( 0.352 -15.116 -9.638) 17.931 5.190 ( 0.280 4.954 8.456) 9.805 5.829 ( 13.368 8.840 0.592) 16.037 6.013 ( 7.561 -7.724 9.220) 14.207 7.223 ( 10.273 -1.684 6.469) 12.257 7.647 ( -2.467 -11.376 3.614) 12.188 8.299 ( -1.203 2.167 -0.375) 2.507 8.826 ( -3.967 -19.793 -2.576) 20.350 9.324 ( -4.870 -10.890 -5.910) 13.313 9.931 ( 6.281 21.746 3.096) 22.846 10.751 ( -30.092 10.795 -2.730) 32.086 11.980 ( 19.930 -21.189 -2.701) 29.214 13.468 ( -0.447 11.367 1.888) 11.531 14.192 ( 0.761 -11.362 -0.742) 11.412 15.289 ( -8.293 13.163 0.319) 15.561 16.539 ( 12.379 9.892 -0.901) 15.871 17.456 ( -0.821 -8.532 0.262) 8.576 18.169 ( -3.795 8.805 -1.236) 9.667 18.471 ( 13.200 9.795 -1.009) 16.468 18.821 ( 9.248 13.441 5.128) 17.102 19.404 ( -17.743 -15.075 -9.413) 25.113 19.928 ( -0.241 -9.021 -7.046) 11.449 21.313 ( -0.569 -0.439 0.078) 0.723 21.372 ( -1.077 -0.984 0.529) 1.551 21.840 ( -0.060 -4.540 7.040) 8.377 ======================= Grid point 658 (128/162) ======================= q-point: ( 0.42 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( -7.192 12.457 -13.581) 19.782 3.847 ( -21.584 37.384 -2.757) 43.255 4.653 ( 7.429 -12.867 -10.047) 17.935 5.204 ( -3.381 5.857 13.878) 15.438 6.016 ( 7.528 -13.038 7.522) 16.830 6.048 ( -1.290 2.234 -0.229) 2.590 7.398 ( 6.118 -10.597 2.601) 12.510 7.492 ( 3.313 -5.738 5.889) 8.865 8.207 ( 4.077 -7.061 3.701) 8.954 8.768 ( 3.492 -6.048 -4.563) 8.343 9.203 ( 3.428 -5.937 -6.868) 9.704 10.231 ( -12.233 21.189 1.204) 24.496 10.414 ( -9.140 15.831 -1.174) 18.318 12.048 ( 14.077 -24.382 -2.521) 28.266 13.521 ( -5.070 8.782 1.633) 10.272 14.140 ( 5.290 -9.163 -0.714) 10.605 15.284 ( -8.464 14.661 0.205) 16.930 16.716 ( -1.725 2.988 -0.699) 3.520 17.385 ( 4.927 -8.534 -0.077) 9.855 18.180 ( -5.056 8.757 -0.391) 10.119 18.804 ( -3.137 5.434 -4.387) 7.656 18.826 ( 2.006 -3.474 12.765) 13.380 19.158 ( -1.478 2.561 -11.381) 11.759 19.871 ( 4.583 -7.938 -9.604) 13.276 21.306 ( -0.198 0.344 -0.039) 0.399 21.357 ( 0.180 -0.312 0.784) 0.863 21.817 ( 1.974 -3.420 7.059) 8.089 ======================= Grid point 665 (129/162) ======================= q-point: (-0.08 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -5.366 9.294 16.000) 19.266 3.126 ( -3.328 5.764 22.357) 23.327 3.424 ( -10.942 18.953 -9.374) 23.808 5.220 ( -4.658 8.068 2.995) 9.786 5.250 ( 2.018 -3.495 -3.316) 5.223 6.130 ( -3.377 5.849 -5.002) 8.404 7.481 ( -1.650 2.858 -2.056) 3.888 7.567 ( -2.151 3.726 -0.203) 4.307 7.745 ( 12.416 -21.505 9.104) 26.448 9.673 ( 2.493 -4.318 -5.494) 7.419 10.358 ( 2.315 -4.010 -0.115) 4.632 10.467 ( 5.744 -9.949 -3.327) 11.960 11.395 ( -7.209 12.487 -2.475) 14.629 11.734 ( 5.215 -9.033 1.916) 10.605 12.281 ( -11.130 19.278 -1.321) 22.300 14.610 ( 1.864 -3.228 0.466) 3.757 15.042 ( -8.319 14.410 -2.579) 16.838 15.521 ( 2.102 -3.641 0.251) 4.211 16.284 ( -19.425 33.645 -4.734) 39.138 17.405 ( -0.836 1.447 2.404) 2.928 17.483 ( -3.055 5.291 0.145) 6.111 18.321 ( -0.100 0.174 1.212) 1.229 20.002 ( -1.329 2.301 -0.912) 2.809 21.248 ( 10.120 -17.529 0.483) 20.246 21.445 ( 0.837 -1.450 0.233) 1.691 21.556 ( 0.990 -1.715 -1.117) 2.273 22.424 ( 4.090 -7.084 0.031) 8.180 ======================= Grid point 669 (130/162) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( 8.164 14.141 -9.767) 19.027 4.188 ( 15.855 27.461 -1.483) 31.744 4.638 ( -7.686 -13.312 -9.604) 18.125 5.148 ( 3.992 6.915 -3.709) 8.804 5.805 ( -2.579 -4.467 14.712) 15.590 5.855 ( 6.461 11.191 4.219) 13.593 7.123 ( 0.872 1.511 7.312) 7.517 7.609 ( -5.552 -9.616 5.522) 12.401 8.318 ( 0.527 0.914 0.772) 1.307 8.763 ( -10.700 -18.532 -4.133) 21.795 9.315 ( -5.990 -10.375 -6.484) 13.623 9.985 ( 11.532 19.975 3.596) 23.343 11.374 ( -3.937 -6.819 -6.326) 10.100 11.394 ( -3.461 -5.994 -0.414) 6.934 13.530 ( 4.770 8.261 1.744) 9.697 14.128 ( -4.668 -8.085 -0.737) 9.365 15.443 ( 2.814 4.874 0.384) 5.641 16.466 ( 9.225 15.977 -0.904) 18.471 17.422 ( -4.212 -7.296 0.665) 8.451 18.276 ( 2.090 3.620 5.428) 6.851 18.374 ( 7.687 13.314 -8.293) 17.468 18.806 ( 9.658 16.728 4.313) 19.791 19.499 ( -11.188 -19.378 -13.218) 25.988 19.871 ( -4.772 -8.265 -3.580) 10.193 21.315 ( -0.282 -0.489 0.311) 0.644 21.377 ( -0.835 -1.446 0.391) 1.715 21.817 ( -2.071 -3.586 8.327) 9.300 ======================= Grid point 670 (131/162) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( 0.445 16.897 -12.541) 21.047 4.401 ( 0.593 -17.861 -11.508) 21.256 4.562 ( -11.741 38.395 -1.768) 40.189 5.278 ( 4.415 3.598 6.997) 9.022 5.714 ( 5.307 -16.452 8.200) 19.133 6.070 ( 4.122 7.640 2.078) 8.926 7.191 ( 6.347 -1.928 4.752) 8.160 7.463 ( -2.441 -3.731 9.329) 10.340 8.024 ( -5.837 -24.305 7.471) 26.088 8.751 ( 3.206 7.921 -8.226) 11.861 9.126 ( -3.164 -9.351 -7.550) 12.428 10.431 ( 11.762 27.369 0.878) 29.803 10.922 ( -31.156 6.150 -2.281) 31.839 11.515 ( 18.697 -25.476 -2.934) 31.737 13.640 ( -0.151 5.887 1.263) 6.023 14.015 ( 0.135 -6.215 -0.689) 6.254 15.505 ( -2.849 7.991 0.195) 8.486 16.754 ( 5.820 11.897 -0.387) 13.250 17.254 ( -2.275 -11.699 0.285) 11.922 18.342 ( -2.587 9.253 4.448) 10.588 18.631 ( 11.446 3.292 0.134) 11.911 18.945 ( -5.026 -2.086 -0.303) 5.450 19.268 ( -3.699 4.946 -13.424) 14.777 19.715 ( 0.152 -12.085 -6.170) 13.570 21.314 ( -0.069 0.578 0.303) 0.657 21.353 ( -0.445 -0.993 0.563) 1.225 21.768 ( 0.040 -2.561 9.049) 9.405 ======================= Grid point 676 (132/162) ======================= q-point: (-0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -9.022 17.332 9.195) 21.595 3.006 ( 2.147 -8.148 15.400) 17.554 4.052 ( -23.282 26.382 -9.494) 36.444 5.132 ( 2.333 -12.247 2.515) 12.718 5.397 ( -3.474 12.286 4.471) 13.528 6.258 ( -3.299 7.030 -8.464) 11.487 7.360 ( 11.084 0.397 9.890) 14.860 7.626 ( -3.845 -1.070 -6.182) 7.358 7.664 ( -9.718 -0.649 4.010) 10.533 9.585 ( 4.713 -0.439 -4.382) 6.450 10.186 ( 12.031 -11.998 -3.205) 17.290 10.247 ( 3.608 -11.460 -1.882) 12.161 11.230 ( 27.469 6.526 0.233) 28.235 11.827 ( -24.006 -18.025 1.169) 30.043 12.680 ( -8.856 21.739 0.848) 23.489 14.554 ( -0.723 -6.371 0.843) 6.467 15.259 ( 7.585 13.674 -0.852) 15.660 15.543 ( -14.726 0.638 -1.080) 14.779 17.049 ( -27.896 33.226 -8.199) 44.151 17.457 ( -4.177 0.657 3.084) 5.233 17.612 ( -4.373 7.665 -0.908) 8.871 18.313 ( 0.843 -0.820 1.193) 1.675 20.046 ( -1.353 1.157 -1.095) 2.090 20.807 ( 17.214 -22.138 1.523) 28.084 21.412 ( 1.407 -1.247 -0.163) 1.887 21.514 ( 1.753 -1.810 -1.085) 2.743 22.284 ( 5.550 -3.655 -0.853) 6.700 ======================= Grid point 682 (133/162) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.041 ( -9.031 -15.642 -12.789) 22.131 4.041 ( 9.031 15.642 -12.789) 22.131 5.190 ( -0.000 -0.000 -0.046) 0.046 5.318 ( -1.262 -2.187 6.336) 6.821 5.318 ( 1.262 2.187 6.336) 6.821 6.155 ( -0.000 -0.000 2.247) 2.247 7.154 ( -0.000 -0.000 4.001) 4.001 7.594 ( -8.062 -13.964 10.356) 19.164 7.594 ( 8.062 13.964 10.356) 19.164 8.939 ( -4.854 -8.407 -8.053) 12.612 8.939 ( 4.854 8.407 -8.053) 12.612 10.980 ( -8.799 -15.241 -0.062) 17.599 10.980 ( 8.800 15.242 -0.062) 17.600 10.992 ( -0.000 -0.001 -5.192) 5.192 13.698 ( -0.000 -0.000 1.038) 1.038 13.953 ( -0.000 -0.000 -0.668) 0.668 15.587 ( -0.000 -0.000 0.125) 0.125 17.004 ( -6.501 -11.261 0.100) 13.003 17.004 ( 6.501 11.261 0.100) 13.003 18.538 ( -4.880 -8.452 7.712) 12.439 18.538 ( 4.880 8.452 7.712) 12.439 18.923 ( 0.000 0.000 -19.587) 19.587 19.467 ( -6.167 -10.682 -5.896) 13.671 19.467 ( 6.167 10.682 -5.896) 13.671 21.332 ( -0.527 -0.912 0.430) 1.138 21.332 ( 0.527 0.912 0.430) 1.138 21.742 ( -0.000 -0.000 9.832) 9.832 ======================= Grid point 689 (134/162) ======================= q-point: (-0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 0.268 16.526 0.617) 16.539 3.020 ( -5.932 4.200 10.711) 12.944 4.653 ( -21.868 12.654 -2.183) 25.360 4.933 ( 2.210 -15.721 4.537) 16.511 5.590 ( -3.100 15.605 -1.589) 15.989 6.355 ( -0.991 4.035 -6.968) 8.113 7.304 ( -0.360 6.438 8.375) 10.569 7.674 ( -2.555 0.162 -4.459) 5.142 7.879 ( -13.328 2.755 2.441) 13.827 9.492 ( 7.617 -0.713 -0.694) 7.681 9.813 ( 14.759 -11.214 -5.797) 19.421 10.045 ( 2.996 -18.420 -2.918) 18.889 10.791 ( 30.439 8.033 1.541) 31.519 12.059 ( -23.186 -17.633 1.673) 29.177 12.980 ( -4.086 16.550 3.224) 17.349 14.500 ( -2.400 -10.433 0.664) 10.726 15.151 ( 13.637 9.479 -0.435) 16.614 15.934 ( -20.276 9.128 -1.001) 22.259 17.537 ( -6.533 -0.967 1.346) 6.740 17.730 ( -6.805 14.339 -2.982) 16.149 17.877 ( -23.207 20.980 -3.629) 31.494 18.282 ( 0.940 -1.329 2.099) 2.656 20.054 ( 1.227 -1.786 -0.995) 2.384 20.265 ( 18.754 -21.430 0.134) 28.478 21.376 ( 1.466 -0.855 -0.599) 1.800 21.462 ( 2.263 -1.457 -0.980) 2.864 22.168 ( 5.246 -0.988 -1.888) 5.662 ======================= Grid point 690 (135/162) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( 0.964 -1.669 10.002) 10.186 2.937 ( -15.416 26.701 6.539) 31.518 4.503 ( -10.982 19.022 -6.286) 22.846 4.872 ( 7.947 -13.765 6.353) 17.117 5.648 ( -7.279 12.608 0.354) 14.563 6.362 ( -1.763 3.053 -10.355) 10.939 7.345 ( -0.550 0.953 6.393) 6.488 7.673 ( -0.737 1.276 0.096) 1.477 7.740 ( -5.955 10.314 1.097) 11.960 9.562 ( 1.835 -3.179 -2.572) 4.482 9.896 ( 11.703 -20.270 -4.034) 23.750 9.966 ( 6.446 -11.164 -4.480) 13.648 11.406 ( 3.133 -5.426 0.576) 6.292 11.453 ( 2.293 -3.972 3.242) 5.617 13.034 ( -8.124 14.071 3.435) 16.607 14.424 ( 3.866 -6.697 1.084) 7.809 15.382 ( 0.953 -1.651 -0.649) 2.014 15.740 ( -11.183 19.370 -1.096) 22.393 17.479 ( -0.926 1.603 3.502) 3.962 17.719 ( -16.516 28.607 -6.410) 33.649 17.800 ( -8.480 14.688 -1.674) 17.042 18.284 ( 1.138 -1.971 1.616) 2.792 20.051 ( 0.505 -0.875 -1.560) 1.858 20.322 ( 14.965 -25.920 1.984) 29.995 21.385 ( 0.811 -1.405 -0.652) 1.749 21.475 ( 1.186 -2.053 -1.075) 2.604 22.210 ( 2.114 -3.662 -3.028) 5.201 ======================= Grid point 702 (136/162) ======================= q-point: (-0.33 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 0.669 12.378 -4.285) 13.116 3.179 ( 0.339 14.440 6.115) 15.685 4.629 ( 5.196 -16.419 11.092) 20.485 5.185 ( -19.967 6.329 0.487) 20.952 5.815 ( -5.372 15.068 -9.242) 18.475 6.362 ( 2.028 -0.918 -2.241) 3.159 7.471 ( -8.358 10.575 2.512) 13.711 7.720 ( -3.259 -1.133 -3.737) 5.086 8.142 ( -11.212 4.175 0.638) 11.981 9.191 ( 15.101 -13.319 1.290) 20.176 9.584 ( 4.342 -11.240 -4.025) 12.704 9.822 ( 4.465 -6.555 -3.440) 8.645 10.384 ( 27.220 11.134 2.446) 29.511 12.260 ( -20.224 -17.854 2.150) 27.063 13.159 ( -0.312 12.479 4.524) 13.278 14.427 ( -3.251 -13.770 0.260) 14.151 15.034 ( 12.679 13.127 -0.386) 18.254 16.352 ( -16.701 9.099 -0.889) 19.039 17.610 ( -5.389 -6.161 -0.856) 8.230 17.887 ( 0.456 11.339 -2.550) 11.631 18.297 ( -4.761 1.014 5.697) 7.494 18.460 ( -18.554 14.682 1.542) 23.711 19.703 ( 18.710 -16.101 -1.073) 24.708 20.043 ( 0.874 -4.859 -5.274) 7.224 21.345 ( 1.362 -0.399 -0.927) 1.695 21.414 ( 1.963 -0.604 -0.751) 2.187 22.086 ( 4.148 0.880 -2.618) 4.984 ======================= Grid point 703 (137/162) ======================= q-point: (-0.25 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -2.311 6.754 5.448) 8.980 3.436 ( -4.683 33.098 3.548) 33.615 4.582 ( 8.029 -15.523 8.819) 19.576 4.863 ( -18.515 5.171 0.618) 19.234 5.888 ( -5.017 14.226 -7.185) 16.708 6.369 ( 1.390 -2.830 -7.988) 8.588 7.432 ( -4.863 5.687 -1.635) 7.659 7.695 ( -0.822 2.002 1.525) 2.648 7.995 ( -11.118 9.017 2.548) 14.540 9.342 ( 16.781 -14.344 -1.171) 22.107 9.483 ( 6.310 -23.357 -4.230) 24.561 9.878 ( 0.097 4.625 -4.439) 6.411 11.001 ( 30.958 11.155 3.018) 33.045 11.666 ( -24.877 -21.208 2.926) 32.821 13.250 ( -3.219 10.794 5.321) 12.457 14.292 ( 1.641 -10.021 0.420) 10.163 15.330 ( 7.285 7.598 -0.249) 10.530 16.161 ( -16.655 14.066 -0.999) 21.823 17.503 ( -1.762 -2.505 2.232) 3.789 17.971 ( -4.128 11.481 -2.358) 12.426 18.253 ( -0.449 -1.256 3.580) 3.820 18.337 ( -16.357 21.862 -0.083) 27.304 19.816 ( 15.469 -20.727 -0.666) 25.872 20.009 ( 1.375 -4.940 -2.986) 5.934 21.359 ( 0.847 -0.703 -1.047) 1.520 21.435 ( 1.448 -1.310 -0.998) 2.193 22.144 ( 2.580 -1.302 -4.498) 5.346 ======================= Grid point 715 (138/162) ======================= q-point: (-0.42 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 5.042 12.496 -7.409) 15.378 3.283 ( 4.463 14.309 3.426) 15.375 4.425 ( -1.017 -14.243 14.763) 20.539 5.478 ( -5.024 7.412 -4.443) 9.996 6.047 ( -5.938 9.106 -6.423) 12.627 6.277 ( 2.744 -6.256 3.692) 7.766 7.747 ( -7.248 -3.722 -7.569) 11.121 7.777 ( -7.643 11.685 -2.835) 14.247 8.190 ( 9.432 -2.069 -2.413) 9.953 9.005 ( -10.775 -7.168 3.061) 13.299 9.287 ( 7.137 -23.388 0.397) 24.456 9.826 ( 4.293 15.774 -0.922) 16.374 10.097 ( 17.542 10.223 1.317) 20.346 12.382 ( -15.413 -20.050 2.421) 25.405 13.244 ( 3.112 9.664 5.061) 11.344 14.359 ( -5.423 -13.603 -0.121) 14.644 14.978 ( 10.591 15.780 -0.299) 19.008 16.640 ( -6.840 5.104 -0.977) 8.590 17.600 ( -3.872 -9.682 -2.421) 10.705 17.946 ( 4.569 10.312 -3.847) 11.917 18.472 ( -10.885 2.872 10.872) 15.651 18.717 ( -2.130 -1.564 11.093) 11.403 19.350 ( 8.270 -3.215 -9.407) 12.931 19.982 ( -0.386 -5.165 -7.821) 9.381 21.323 ( 0.988 0.305 -1.129) 1.531 21.388 ( 0.838 0.257 -0.518) 1.018 22.044 ( 2.571 2.303 -2.967) 4.552 ======================= Grid point 716 (139/162) ======================= q-point: (-0.33 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( -2.050 10.651 1.533) 10.955 3.712 ( 11.444 35.841 2.506) 37.707 4.303 ( 4.950 -16.220 11.199) 20.323 5.278 ( -23.227 3.443 1.982) 23.564 6.081 ( -1.377 10.403 -9.790) 14.351 6.259 ( 3.423 -8.670 -2.468) 9.642 7.571 ( -7.390 -2.123 -9.238) 12.019 7.776 ( -4.191 7.680 -0.926) 8.798 8.241 ( -5.257 5.864 1.224) 7.970 8.893 ( 10.244 -16.577 -3.462) 19.792 9.170 ( 5.823 -20.759 0.012) 21.560 10.005 ( -1.895 16.135 -0.862) 16.269 10.601 ( 27.419 10.052 3.704) 29.438 11.843 ( -21.009 -23.333 3.417) 31.583 13.369 ( 0.385 8.469 6.388) 10.615 14.181 ( -1.108 -10.608 -0.255) 10.668 15.294 ( 8.429 12.364 0.098) 14.965 16.545 ( -12.476 10.633 -1.108) 16.430 17.469 ( -0.597 -8.214 -0.290) 8.241 18.104 ( 1.731 10.000 -2.285) 10.403 18.331 ( -8.551 2.850 7.616) 11.800 18.673 ( -4.606 4.872 10.281) 12.274 19.443 ( 8.630 -8.029 -8.671) 14.634 19.920 ( 1.069 -7.561 -5.398) 9.352 21.342 ( 0.826 0.163 -1.268) 1.522 21.404 ( 1.016 -0.538 -0.899) 1.459 22.099 ( 2.085 0.460 -5.297) 5.711 ======================= Grid point 717 (140/162) ======================= q-point: (-0.25 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( -6.113 10.588 5.337) 13.340 4.068 ( -11.242 19.472 4.603) 22.950 4.303 ( 2.949 -5.108 6.092) 8.480 4.979 ( -5.271 9.130 4.280) 11.378 6.145 ( -6.501 11.259 -9.273) 15.970 6.230 ( 6.636 -11.493 -5.725) 14.453 7.492 ( -0.263 0.455 -9.478) 9.492 7.779 ( -3.826 6.627 -0.738) 7.687 8.210 ( -6.614 11.456 4.117) 13.854 8.922 ( 14.246 -24.675 -9.713) 30.103 9.107 ( 8.421 -14.586 2.722) 17.061 10.070 ( -7.654 13.257 -0.879) 15.333 11.131 ( 4.524 -7.836 4.402) 10.063 11.302 ( 3.376 -5.847 3.680) 7.689 13.415 ( -3.479 6.025 6.913) 9.808 14.118 ( 4.177 -7.235 -0.297) 8.359 15.444 ( -2.339 4.051 0.316) 4.689 16.476 ( -9.735 16.861 -1.262) 19.510 17.423 ( 3.426 -5.935 0.889) 6.910 18.190 ( -5.798 10.043 -1.385) 11.679 18.249 ( -0.992 1.717 6.122) 6.436 18.658 ( -4.796 8.308 9.405) 13.435 19.478 ( 6.288 -10.891 -8.598) 15.234 19.889 ( 4.085 -7.075 -4.173) 9.173 21.351 ( 0.083 -0.143 -1.298) 1.308 21.410 ( 0.694 -1.203 -1.024) 1.726 22.120 ( 0.599 -1.037 -6.139) 6.255 ======================= Grid point 727 (141/162) ======================= q-point: (-0.42 0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 5.472 9.478 -0.578) 10.959 3.793 ( 20.006 34.652 1.969) 40.061 4.157 ( -7.268 -12.589 13.501) 19.839 5.567 ( -0.142 -0.246 -3.449) 3.460 6.060 ( -7.340 -12.714 3.697) 15.139 6.217 ( 3.721 6.445 -8.103) 11.001 7.621 ( -4.475 -7.751 -7.267) 11.529 7.924 ( 1.224 2.120 -13.674) 13.892 8.218 ( 3.272 5.667 2.477) 6.996 8.827 ( -8.318 -14.407 -5.799) 17.618 8.929 ( -4.471 -7.744 6.650) 11.144 10.206 ( 10.702 18.537 1.951) 21.493 10.310 ( 7.806 13.520 2.926) 15.883 11.910 ( -15.365 -26.613 3.591) 30.939 13.407 ( 3.720 6.444 6.741) 10.041 14.136 ( -5.070 -8.782 -0.531) 10.155 15.283 ( 8.164 14.141 0.210) 16.330 16.726 ( 2.067 3.581 -1.108) 4.281 17.413 ( -5.050 -8.748 -1.459) 10.206 18.134 ( 4.779 8.278 -1.999) 9.765 18.508 ( -0.359 -0.622 11.507) 11.529 18.628 ( -2.468 -4.275 12.784) 13.704 19.363 ( 1.812 3.139 -11.733) 12.280 19.862 ( -3.759 -6.510 -7.414) 10.559 21.336 ( 0.504 0.873 -1.336) 1.674 21.392 ( 0.032 0.056 -0.851) 0.853 22.084 ( 0.927 1.605 -5.545) 5.846 ======================= Grid point 729 (142/162) ======================= q-point: (-0.33 0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( -1.530 13.937 4.755) 14.805 3.945 ( 1.532 -16.617 10.181) 19.548 4.519 ( 15.620 40.385 1.192) 43.317 5.332 ( -27.073 2.085 2.449) 27.264 5.898 ( 10.883 -23.021 -0.978) 25.483 6.314 ( -1.192 7.465 -8.701) 11.527 7.488 ( -2.308 -4.423 -8.688) 10.018 7.936 ( -4.537 8.195 -11.378) 14.738 8.328 ( 5.125 -1.813 -0.925) 5.515 8.594 ( -3.176 -7.747 -5.943) 10.267 8.855 ( 4.968 -11.753 4.837) 13.646 10.380 ( -8.310 21.067 2.767) 22.815 10.763 ( 27.173 6.000 4.548) 28.197 11.359 ( -17.762 -25.046 4.223) 30.994 13.494 ( 0.149 4.209 7.750) 8.820 14.017 ( -0.212 -5.752 -0.769) 5.807 15.496 ( 2.806 7.444 0.604) 7.978 16.777 ( -5.694 12.656 -1.330) 13.942 17.278 ( 1.734 -11.091 -0.718) 11.248 18.272 ( 2.510 7.438 3.968) 8.796 18.411 ( -9.944 4.411 5.898) 12.375 18.625 ( 6.079 -7.771 12.736) 16.110 19.426 ( -0.211 5.021 -11.918) 12.934 19.752 ( 1.018 -9.137 -6.638) 11.339 21.352 ( 0.248 0.794 -1.356) 1.591 21.390 ( 0.280 -0.843 -1.076) 1.396 22.106 ( 0.561 0.197 -6.916) 6.941 ======================= Grid point 742 (143/162) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.610 ( -8.251 -14.291 7.599) 18.167 3.610 ( 8.251 14.291 7.599) 18.167 5.217 ( 0.000 0.000 -1.244) 1.244 5.368 ( -5.289 -9.161 2.602) 10.894 5.368 ( 5.289 9.161 2.602) 10.894 6.393 ( 0.000 0.000 -8.302) 8.302 7.439 ( 0.000 0.000 -8.705) 8.705 8.129 ( -5.882 -10.188 -13.204) 17.684 8.129 ( 5.882 10.188 -13.204) 17.684 8.660 ( -4.178 -7.236 4.408) 9.447 8.660 ( 4.178 7.236 4.408) 9.447 10.733 ( 0.000 0.000 6.393) 6.393 10.895 ( -8.486 -14.699 3.620) 17.354 10.895 ( 8.486 14.699 3.620) 17.354 13.536 ( 0.000 0.000 8.240) 8.240 13.959 ( 0.000 0.000 -0.964) 0.964 15.572 ( 0.000 0.000 0.792) 0.792 17.036 ( -6.521 -11.295 -1.217) 13.099 17.036 ( 6.521 11.295 -1.217) 13.099 18.421 ( -3.319 -5.748 11.263) 13.073 18.421 ( 3.319 5.748 11.263) 13.073 18.499 ( -0.000 -0.000 0.379) 0.379 19.572 ( -4.332 -7.503 -8.964) 12.467 19.572 ( 4.332 7.503 -8.964) 12.467 21.371 ( -0.513 -0.888 -1.256) 1.621 21.371 ( 0.513 0.888 -1.256) 1.621 22.108 ( 0.000 0.000 -7.456) 7.456 ======================= Grid point 785 (144/162) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 0.000 -0.000 0.000) 0.000 2.335 ( -0.000 0.000 0.000) 0.000 3.750 ( 0.000 -0.000 0.000) 0.000 5.071 ( -0.000 0.000 0.000) 0.000 5.071 ( -0.000 -0.000 0.000) 0.000 6.053 ( 0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 0.000) 0.000 7.415 ( 0.000 -0.000 0.000) 0.000 8.743 ( 0.000 0.000 0.000) 0.000 9.708 ( -0.000 0.000 0.000) 0.000 10.411 ( 0.000 0.000 0.000) 0.000 10.411 ( 0.000 -0.000 0.000) 0.000 10.706 ( 0.000 0.000 0.000) 0.000 11.974 ( 0.000 -0.000 0.000) 0.000 11.974 ( 0.000 -0.000 0.000) 0.000 14.684 ( 0.000 0.000 0.000) 0.000 14.684 ( 0.000 -0.000 0.000) 0.000 15.602 ( 0.000 -0.000 0.000) 0.000 15.602 ( 0.000 0.000 0.000) 0.000 17.391 ( -0.000 -0.000 0.000) 0.000 17.391 ( 0.000 -0.000 0.000) 0.000 18.323 ( 0.000 0.000 0.000) 0.000 19.936 ( 0.000 0.000 0.000) 0.000 21.482 ( -0.000 -0.000 0.000) 0.000 21.580 ( -0.000 0.000 0.000) 0.000 21.580 ( 0.000 0.000 0.000) 0.000 22.621 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 787 (145/162) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 2.093 1.208 0.000) 2.416 2.679 ( 27.219 15.715 0.000) 31.429 3.614 ( -10.536 -6.083 0.000) 12.166 5.117 ( 3.821 2.206 0.000) 4.412 5.169 ( 7.194 4.153 0.000) 8.307 6.047 ( -0.283 -0.163 0.000) 0.327 7.429 ( 0.855 0.493 0.000) 0.987 7.457 ( 3.164 1.827 -0.000) 3.654 8.312 ( -26.092 -15.064 0.000) 30.129 9.662 ( -3.793 -2.190 0.000) 4.379 10.396 ( -1.280 -0.739 0.000) 1.478 10.554 ( -3.993 -2.305 0.000) 4.611 11.000 ( 27.182 15.694 0.000) 31.387 11.924 ( -1.519 -0.877 0.000) 1.754 12.012 ( 3.288 1.898 0.000) 3.796 14.669 ( -1.078 -0.622 0.000) 1.244 14.794 ( 9.092 5.249 0.000) 10.499 15.570 ( -2.557 -1.476 0.000) 2.952 15.825 ( 19.184 11.076 0.000) 22.152 17.406 ( 1.453 0.839 0.000) 1.678 17.421 ( 2.522 1.456 -0.000) 2.912 18.329 ( 0.369 0.213 -0.000) 0.426 19.957 ( 1.785 1.031 0.000) 2.062 21.470 ( -1.076 -0.621 0.000) 1.243 21.477 ( -9.199 -5.311 0.000) 10.623 21.567 ( -1.115 -0.644 0.000) 1.288 22.539 ( -6.554 -3.784 0.000) 7.568 ======================= Grid point 789 (146/162) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 4.026 2.324 0.000) 4.648 3.352 ( -10.603 -6.122 0.000) 12.243 3.430 ( 35.892 20.723 -0.000) 41.445 5.230 ( 5.539 3.198 0.000) 6.396 5.310 ( 3.057 1.765 0.000) 3.530 6.066 ( 2.749 1.587 0.000) 3.174 7.413 ( -3.538 -2.042 0.000) 4.085 7.535 ( 3.353 1.936 -0.000) 3.871 7.876 ( -8.707 -5.027 0.000) 10.054 9.554 ( -5.006 -2.890 0.000) 5.781 10.350 ( -2.893 -1.670 -0.000) 3.341 10.352 ( -12.607 -7.279 0.000) 14.558 11.218 ( -10.122 -5.844 0.000) 11.688 12.121 ( 6.123 3.535 0.000) 7.070 12.183 ( 22.794 13.160 0.000) 26.320 14.646 ( -0.711 -0.410 0.000) 0.821 15.034 ( 8.781 5.070 0.000) 10.140 15.527 ( 1.258 0.726 0.000) 1.452 16.443 ( 33.305 19.229 0.000) 38.458 17.466 ( 3.879 2.240 0.000) 4.479 17.500 ( 4.238 2.447 -0.000) 4.894 18.332 ( -0.212 -0.122 -0.000) 0.245 20.008 ( 2.306 1.331 0.000) 2.663 21.156 ( -18.678 -10.784 0.000) 21.568 21.435 ( -1.862 -1.075 0.000) 2.150 21.532 ( -1.927 -1.113 0.000) 2.225 22.362 ( -8.019 -4.630 0.000) 9.259 ======================= Grid point 791 (147/162) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 4.152 2.397 0.000) 4.795 3.183 ( -3.794 -2.190 0.000) 4.381 4.248 ( 34.587 19.969 0.000) 39.937 5.264 ( -6.599 -3.810 0.000) 7.620 5.348 ( 4.536 2.619 -0.000) 5.238 6.176 ( 5.949 3.435 0.000) 6.870 7.322 ( -1.735 -1.002 0.000) 2.004 7.606 ( 2.905 1.677 -0.000) 3.354 7.883 ( 6.236 3.600 0.000) 7.200 9.461 ( -2.635 -1.521 0.000) 3.043 9.991 ( -18.694 -10.793 0.000) 21.586 10.259 ( -5.070 -2.927 0.000) 5.854 10.821 ( -21.386 -12.347 0.000) 24.694 12.284 ( 7.934 4.580 0.000) 9.161 12.666 ( 17.317 9.998 0.000) 19.995 14.640 ( 0.167 0.097 0.000) 0.193 15.051 ( -6.129 -3.538 0.000) 7.077 15.748 ( 16.437 9.490 0.000) 18.980 17.249 ( 33.675 19.442 0.000) 38.884 17.583 ( 6.150 3.551 0.000) 7.102 17.621 ( 7.749 4.474 -0.000) 8.948 18.318 ( -0.870 -0.502 -0.000) 1.005 20.048 ( 0.956 0.552 0.000) 1.104 20.647 ( -24.962 -14.412 0.000) 28.823 21.390 ( -1.923 -1.110 0.000) 2.221 21.481 ( -2.472 -1.427 0.000) 2.854 22.195 ( -6.386 -3.687 0.000) 7.374 ======================= Grid point 793 (148/162) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 3.822 2.207 0.000) 4.413 3.158 ( 0.832 0.481 0.000) 0.961 4.953 ( 24.479 14.133 0.000) 28.266 5.060 ( -9.915 -5.725 0.000) 11.449 5.463 ( 7.666 4.426 0.000) 8.851 6.295 ( 3.892 2.247 0.000) 4.494 7.370 ( 5.527 3.191 0.000) 6.382 7.673 ( 2.949 1.703 0.000) 3.406 8.073 ( 9.044 5.222 0.000) 10.444 9.447 ( 1.396 0.806 0.000) 1.612 9.527 ( -20.460 -11.812 0.000) 23.625 10.122 ( -6.735 -3.889 0.000) 7.777 10.306 ( -22.915 -13.230 -0.000) 26.460 12.469 ( 7.881 4.550 0.000) 9.100 12.970 ( 9.736 5.621 0.000) 11.242 14.650 ( 0.592 0.342 0.000) 0.684 14.862 ( -8.988 -5.189 0.000) 10.379 16.157 ( 17.790 10.271 0.000) 20.542 17.639 ( 5.170 2.985 0.000) 5.970 17.719 ( 4.579 2.644 0.000) 5.287 18.119 ( 29.652 17.119 0.000) 34.239 18.322 ( 2.497 1.442 0.000) 2.884 20.040 ( -1.787 -1.032 -0.000) 2.064 20.051 ( -26.404 -15.244 0.000) 30.489 21.350 ( -1.602 -0.925 0.000) 1.850 21.424 ( -2.297 -1.326 0.000) 2.653 22.073 ( -4.301 -2.483 0.000) 4.966 ======================= Grid point 795 (149/162) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 1.778 1.026 0.000) 2.053 3.193 ( 1.821 1.051 0.000) 2.103 4.860 ( -6.708 -3.873 -0.000) 7.745 5.245 ( 3.786 2.186 0.000) 4.372 5.789 ( 16.854 9.731 0.000) 19.461 6.351 ( 1.287 0.743 0.000) 1.486 7.548 ( 9.541 5.509 0.000) 11.017 7.734 ( 2.120 1.224 0.000) 2.448 8.195 ( -1.529 -0.883 0.000) 1.766 9.184 ( -5.428 -3.134 0.000) 6.268 9.511 ( 3.669 2.118 0.000) 4.237 9.795 ( -21.224 -12.254 0.000) 24.508 9.967 ( -6.208 -3.584 -0.000) 7.169 12.624 ( 5.197 3.000 0.000) 6.001 13.129 ( 4.425 2.555 0.000) 5.109 14.663 ( 0.433 0.250 0.000) 0.500 14.681 ( -6.155 -3.554 0.000) 7.107 16.512 ( 12.178 7.031 0.000) 14.062 17.717 ( 2.192 1.266 0.000) 2.531 17.752 ( -1.332 -0.769 -0.000) 1.538 18.484 ( 11.600 6.697 0.000) 13.395 18.696 ( 19.263 11.122 0.000) 22.243 19.471 ( -23.476 -13.554 0.000) 27.108 19.971 ( -3.764 -2.173 0.000) 4.346 21.316 ( -1.302 -0.751 0.000) 1.503 21.385 ( -1.049 -0.606 0.000) 1.212 21.999 ( -2.169 -1.252 0.000) 2.505 ======================= Grid point 797 (150/162) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 0.000 -0.000 0.000) 0.000 3.219 ( -0.000 0.000 0.000) 0.000 4.780 ( 0.000 0.000 0.000) 0.000 5.276 ( -0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.364 ( 0.000 0.000 0.000) 0.000 7.724 ( 0.000 -0.000 0.000) 0.000 7.760 ( 0.000 -0.000 0.000) 0.000 8.075 ( -0.000 0.000 0.000) 0.000 9.273 ( 0.000 -0.000 0.000) 0.000 9.422 ( 0.000 -0.000 0.000) 0.000 9.569 ( -0.000 0.000 0.000) 0.000 9.882 ( -0.000 0.000 0.000) 0.000 12.687 ( -0.000 0.000 0.000) 0.000 13.179 ( 0.000 -0.000 0.000) 0.000 14.606 ( -0.000 0.000 0.000) 0.000 14.668 ( 0.000 -0.000 0.000) 0.000 16.662 ( -0.000 -0.000 0.000) 0.000 17.721 ( 0.000 -0.000 0.000) 0.000 17.743 ( -0.000 0.000 0.000) 0.000 18.725 ( 0.000 0.000 0.000) 0.000 18.933 ( -0.000 0.000 0.000) 0.000 19.098 ( -0.000 -0.000 -0.000) 0.000 19.914 ( 0.000 0.000 0.000) 0.000 21.299 ( -0.000 0.000 0.000) 0.000 21.374 ( 0.000 0.000 0.000) 0.000 21.974 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 813 (151/162) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 4.544 7.870 -10.422) 13.827 3.136 ( 12.515 21.676 17.223) 30.382 3.463 ( -0.764 -1.324 -9.505) 9.627 5.151 ( 0.712 1.234 6.232) 6.393 5.333 ( 5.816 10.073 -7.782) 13.994 6.047 ( 0.350 0.606 3.155) 3.232 7.460 ( -1.368 -2.369 7.266) 7.764 7.481 ( 2.335 4.044 -2.045) 5.098 7.948 ( -8.778 -15.203 -7.585) 19.124 9.591 ( -2.580 -4.468 2.104) 5.572 10.338 ( -3.004 -5.203 1.881) 6.296 10.430 ( -5.841 -10.117 0.300) 11.685 11.383 ( 7.743 13.411 -1.104) 15.525 11.778 ( -4.743 -8.214 -2.405) 9.785 12.252 ( 11.514 19.943 1.485) 23.076 14.634 ( -1.441 -2.496 -1.915) 3.460 15.007 ( 8.693 15.057 0.846) 17.407 15.506 ( -2.542 -4.403 1.773) 5.384 16.253 ( 17.868 30.948 -1.120) 35.753 17.432 ( 1.183 2.049 -0.285) 2.383 17.487 ( 2.842 4.922 -0.185) 5.687 18.333 ( 0.001 0.002 0.136) 0.136 19.993 ( 1.318 2.283 -0.033) 2.636 21.262 ( -9.417 -16.311 -0.949) 18.858 21.449 ( -0.929 -1.609 -0.195) 1.868 21.542 ( -1.039 -1.800 0.244) 2.093 22.412 ( -4.676 -8.099 1.231) 9.432 ======================= Grid point 815 (152/162) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -0.044 17.616 -6.811) 18.887 3.155 ( 0.380 -9.640 0.832) 9.683 3.941 ( 24.971 26.476 1.164) 36.412 5.147 ( 1.367 -7.183 1.318) 7.429 5.490 ( -0.692 10.735 -4.664) 11.725 6.096 ( 4.635 1.287 7.037) 8.524 7.344 ( -4.068 -4.975 8.616) 10.749 7.598 ( 3.811 6.400 -3.036) 8.044 7.818 ( 1.629 -1.258 -8.616) 8.858 9.507 ( -3.138 -1.440 3.196) 4.704 10.141 ( -12.384 -12.932 1.248) 17.949 10.210 ( -3.448 -13.063 1.671) 13.613 11.256 ( -26.873 8.329 -2.288) 28.227 11.862 ( 23.495 -17.203 -2.218) 29.204 12.680 ( 9.958 23.591 0.768) 25.618 14.582 ( 0.034 -5.557 -1.889) 5.870 15.240 ( -7.041 13.492 0.997) 15.252 15.523 ( 15.283 0.599 0.853) 15.318 16.980 ( 27.064 33.134 -0.789) 42.790 17.493 ( 3.975 1.309 -0.530) 4.218 17.609 ( 4.156 7.668 -0.588) 8.742 18.323 ( -0.627 -0.892 0.257) 1.120 20.035 ( 1.210 1.056 -0.064) 1.607 20.842 ( -17.555 -20.446 -1.994) 27.022 21.409 ( -1.647 -1.563 0.042) 2.271 21.499 ( -1.647 -1.994 0.345) 2.610 22.250 ( -5.361 -6.178 2.604) 8.584 ======================= Grid point 817 (153/162) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -5.406 18.627 -3.188) 19.656 3.164 ( 3.052 3.574 -3.452) 5.832 4.629 ( 28.382 16.842 -0.290) 33.005 5.037 ( -1.947 -13.279 -5.022) 14.329 5.542 ( -3.905 10.928 3.552) 12.136 6.208 ( 6.574 -0.324 7.083) 9.669 7.303 ( 2.822 -0.771 6.993) 7.580 7.692 ( -0.257 6.279 -5.402) 8.287 7.939 ( 10.431 2.601 -3.060) 11.178 9.470 ( -1.740 1.957 1.960) 3.271 9.729 ( -17.841 -15.268 2.144) 23.580 9.995 ( -3.026 -19.329 1.919) 19.658 10.840 ( -30.241 9.870 -3.327) 31.985 12.098 ( 22.718 -16.254 -2.204) 28.021 13.014 ( 4.727 18.301 -0.140) 18.902 14.520 ( 1.709 -10.225 -1.334) 10.452 15.137 ( -13.248 9.299 1.065) 16.221 15.924 ( 20.458 9.356 -0.055) 22.495 17.544 ( 5.040 2.235 -0.190) 5.517 17.722 ( 9.878 14.903 -1.621) 17.953 17.849 ( 21.406 20.203 -0.551) 29.440 18.304 ( 0.150 -0.821 0.165) 0.851 20.042 ( -0.377 -1.569 0.043) 1.614 20.288 ( -21.840 -21.196 -2.164) 30.511 21.367 ( -1.550 -1.276 0.271) 2.026 21.448 ( -2.078 -1.686 0.418) 2.708 22.115 ( -4.283 -4.151 3.378) 6.854 ======================= Grid point 819 (154/162) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -5.379 17.722 -4.331) 19.020 3.261 ( -2.308 12.635 -1.895) 12.984 4.835 ( -2.787 -14.076 -9.305) 17.102 5.176 ( 15.358 7.782 1.970) 17.329 5.659 ( 7.244 12.602 5.859) 15.672 6.287 ( 4.397 -3.069 5.027) 7.350 7.404 ( 8.682 0.164 7.377) 11.394 7.736 ( 0.264 2.823 -3.794) 4.736 8.152 ( 7.821 3.949 -0.583) 8.781 9.231 ( -13.736 -16.937 -2.226) 21.920 9.508 ( -0.846 -4.211 3.229) 5.374 9.765 ( -3.703 -8.432 2.177) 9.463 10.446 ( -28.032 12.196 -3.559) 30.777 12.304 ( 19.495 -16.236 -2.209) 25.467 13.215 ( 0.216 14.272 -0.982) 14.307 14.436 ( 2.844 -14.081 -0.693) 14.383 15.024 ( -12.550 13.446 0.553) 18.401 16.343 ( 16.656 9.022 -0.044) 18.942 17.592 ( 3.029 -4.980 0.419) 5.844 17.886 ( -1.083 10.926 -2.096) 11.177 18.364 ( 7.697 3.025 -0.673) 8.298 18.487 ( 21.710 18.958 -1.159) 28.846 19.704 ( -21.986 -19.173 -0.743) 29.181 19.988 ( -2.344 -4.481 -0.316) 5.067 21.332 ( -1.329 -0.847 0.400) 1.625 21.401 ( -1.657 -0.912 0.510) 1.959 22.022 ( -2.665 -2.493 3.713) 5.206 ======================= Grid point 821 (155/162) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -8.718 18.045 -5.456) 20.770 3.323 ( -5.926 13.925 -0.619) 15.146 4.690 ( 2.083 -12.005 -11.188) 16.542 5.333 ( -0.775 5.908 9.541) 11.249 5.965 ( 9.315 7.604 1.864) 12.168 6.302 ( 3.085 -6.188 1.564) 7.089 7.588 ( 12.319 -1.090 7.212) 14.317 7.738 ( -1.131 -3.165 1.541) 3.698 8.181 ( -6.727 1.900 -1.316) 7.113 9.035 ( 9.405 -12.138 0.155) 15.356 9.311 ( -3.542 -18.881 -2.494) 19.372 9.802 ( -2.902 18.609 1.494) 18.893 10.137 ( -20.178 11.338 -2.425) 23.272 12.428 ( 14.517 -18.386 -2.169) 23.527 13.311 ( -3.828 11.468 -1.508) 12.183 14.361 ( 5.365 -13.935 -0.319) 14.936 14.973 ( -10.691 16.149 0.256) 19.369 16.629 ( 6.846 4.977 0.057) 8.464 17.564 ( 2.983 -8.895 0.859) 9.421 17.928 ( -5.321 10.533 -1.730) 11.927 18.618 ( 13.748 6.448 -3.072) 15.492 18.894 ( 7.601 7.413 -4.613) 11.577 19.197 ( -15.518 -12.564 4.076) 20.378 19.898 ( -1.167 -5.206 -0.149) 5.338 21.307 ( -0.835 -0.075 0.445) 0.950 21.377 ( -0.526 -0.192 0.580) 0.806 21.975 ( -0.759 -1.084 3.838) 4.059 ======================= Grid point 839 (156/162) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( -0.803 -1.392 -3.161) 3.546 3.073 ( 13.353 23.127 -6.888) 27.579 4.439 ( 13.724 23.770 0.407) 27.450 4.977 ( -5.787 -10.023 -3.860) 12.200 5.660 ( 3.464 6.000 -0.882) 6.984 6.126 ( 1.189 2.059 12.754) 12.973 7.274 ( -0.691 -1.197 9.161) 9.264 7.791 ( 6.637 11.496 -3.839) 13.819 7.795 ( -0.280 -0.485 -7.876) 7.896 9.502 ( 0.263 0.455 3.450) 3.489 9.822 ( -12.568 -21.768 3.217) 25.341 9.907 ( -7.576 -13.122 1.148) 15.195 11.449 ( -2.014 -3.489 -3.621) 5.417 11.516 ( -2.245 -3.889 -2.893) 5.342 13.071 ( 9.197 15.930 -0.330) 18.397 14.451 ( -4.197 -7.269 -1.603) 8.546 15.361 ( -0.663 -1.149 1.379) 1.914 15.730 ( 11.325 19.615 -0.234) 22.651 17.521 ( 0.846 1.465 -0.787) 1.865 17.669 ( 18.800 32.562 -1.290) 37.622 17.797 ( 7.479 12.954 -1.275) 15.012 18.299 ( -0.788 -1.365 0.341) 1.612 20.035 ( -0.742 -1.284 -0.077) 1.485 20.372 ( -15.137 -26.218 -3.082) 30.431 21.375 ( -1.051 -1.820 0.332) 2.128 21.458 ( -1.220 -2.114 0.585) 2.510 22.132 ( -3.168 -5.487 4.805) 7.951 ======================= Grid point 841 (157/162) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -0.180 9.508 -6.739) 11.655 3.512 ( 3.197 30.599 -3.741) 30.993 4.751 ( -5.284 -14.216 -8.064) 17.177 4.898 ( 20.120 9.148 -2.871) 22.287 5.756 ( -0.307 10.851 6.350) 12.576 6.169 ( 3.877 -3.456 11.666) 12.770 7.295 ( 3.437 -0.152 9.367) 9.979 7.765 ( -1.661 -0.364 -3.138) 3.569 8.057 ( 9.831 10.377 -3.638) 14.750 9.307 ( -17.397 -23.947 2.174) 29.679 9.448 ( -3.866 -12.482 -0.732) 13.087 9.791 ( 1.134 5.182 4.121) 6.717 11.076 ( -30.580 12.285 -4.330) 33.238 11.731 ( 24.777 -20.129 -3.492) 32.114 13.321 ( 3.788 12.596 -1.626) 13.254 14.305 ( -2.126 -10.689 -0.825) 10.929 15.322 ( -6.986 8.209 0.583) 10.795 16.151 ( 16.580 13.854 -0.101) 21.607 17.528 ( 0.135 -2.809 -0.397) 2.841 17.979 ( 4.242 12.517 -3.095) 13.574 18.292 ( 2.470 0.706 -0.103) 2.571 18.351 ( 19.166 25.502 -1.475) 31.935 19.833 ( -17.749 -23.886 -2.338) 29.850 19.977 ( -2.381 -5.232 -0.096) 5.750 21.342 ( -0.955 -1.081 0.643) 1.579 21.417 ( -1.394 -1.431 0.726) 2.126 22.038 ( -2.533 -3.534 6.119) 7.506 ======================= Grid point 843 (158/162) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( -1.341 14.200 -8.587) 16.648 3.756 ( -12.321 35.523 -1.819) 37.643 4.527 ( -1.335 -16.830 -11.225) 20.274 5.288 ( 15.038 4.101 1.607) 15.670 5.907 ( 5.154 11.184 7.083) 14.206 6.171 ( 2.946 -8.500 6.438) 11.062 7.383 ( 8.222 -2.244 9.315) 12.626 7.725 ( -1.225 -3.366 3.815) 5.233 8.272 ( 1.519 7.230 -1.883) 7.624 8.829 ( -5.692 -22.543 2.441) 23.378 9.217 ( -5.217 -14.693 -4.422) 16.207 9.980 ( 4.193 19.593 1.818) 20.119 10.681 ( -28.500 10.844 -4.107) 30.768 11.915 ( 20.623 -22.198 -3.677) 30.522 13.461 ( -0.488 10.161 -2.652) 10.513 14.181 ( 0.883 -11.117 -0.287) 11.156 15.294 ( -8.433 12.877 0.120) 15.393 16.532 ( 12.499 10.288 0.191) 16.190 17.461 ( -0.959 -8.305 0.371) 8.368 18.111 ( -2.923 11.483 -2.710) 12.155 18.442 ( 12.389 4.892 -3.180) 13.695 18.838 ( 11.601 15.464 -4.824) 19.924 19.321 ( -16.038 -18.327 2.090) 24.443 19.860 ( -2.677 -8.353 0.142) 8.773 21.321 ( -0.793 -0.118 0.790) 1.125 21.386 ( -0.905 -0.754 0.861) 1.459 21.978 ( -1.259 -1.951 6.792) 7.178 ======================= Grid point 845 (159/162) ======================= q-point: ( 0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( -7.921 13.719 -9.144) 18.292 3.823 ( -20.071 34.764 -0.977) 40.153 4.421 ( 8.271 -14.325 -12.942) 21.003 5.441 ( -2.071 3.587 9.434) 10.304 6.090 ( -2.552 4.420 4.453) 6.774 6.093 ( 8.035 -13.918 0.716) 16.087 7.485 ( 5.377 -9.313 6.021) 12.325 7.669 ( 0.515 -0.893 11.563) 11.609 8.248 ( -1.147 1.986 0.019) 2.293 8.740 ( 7.833 -13.567 2.026) 15.797 9.065 ( 4.086 -7.077 -7.010) 10.766 10.234 ( -11.533 19.976 -0.774) 23.080 10.371 ( -8.722 15.108 -2.909) 17.686 11.984 ( 14.735 -25.522 -3.727) 29.705 13.507 ( -4.526 7.839 -3.051) 9.552 14.131 ( 5.229 -9.058 -0.104) 10.459 15.286 ( -8.391 14.534 -0.005) 16.782 16.712 ( -1.920 3.326 0.295) 3.852 17.391 ( 4.755 -8.236 0.735) 9.539 18.138 ( -6.002 10.395 -2.199) 12.203 18.704 ( 0.456 -0.790 -7.270) 7.327 18.872 ( 2.952 -5.114 -11.026) 12.507 19.128 ( -2.456 4.253 11.207) 12.235 19.776 ( 3.793 -6.569 0.306) 7.592 21.314 ( -0.387 0.670 0.808) 1.119 21.374 ( 0.120 -0.208 0.937) 0.967 21.957 ( 0.415 -0.719 7.002) 7.051 ======================= Grid point 867 (160/162) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( 6.512 11.278 -9.446) 16.088 4.144 ( 16.106 27.897 -3.017) 32.354 4.453 ( -8.216 -14.231 -8.810) 18.645 5.066 ( 5.537 9.591 -4.435) 11.930 5.976 ( 6.186 10.715 7.661) 14.552 6.064 ( -4.288 -7.427 11.063) 13.998 7.296 ( 0.266 0.460 9.812) 9.826 7.718 ( -1.739 -3.012 4.951) 6.051 8.290 ( 6.077 10.526 -3.415) 12.625 8.770 ( -15.072 -26.106 4.803) 30.524 9.192 ( -7.097 -12.293 -5.595) 15.257 10.042 ( 9.883 17.118 2.123) 19.880 11.242 ( -3.920 -6.790 -6.574) 10.231 11.365 ( -3.365 -5.828 -2.477) 7.172 13.517 ( 4.212 7.296 -3.064) 8.965 14.118 ( -4.503 -7.799 -0.261) 9.010 15.447 ( 2.600 4.503 0.020) 5.200 16.460 ( 9.533 16.512 0.298) 19.068 17.429 ( -4.157 -7.200 0.119) 8.315 18.228 ( 6.836 11.840 -5.251) 14.646 18.324 ( 2.220 3.845 -0.844) 4.520 18.814 ( 11.326 19.617 -4.713) 23.136 19.370 ( -12.613 -21.847 0.737) 25.237 19.839 ( -4.900 -8.487 0.534) 9.814 21.328 ( -0.185 -0.320 0.937) 1.007 21.390 ( -0.749 -1.297 0.892) 1.744 21.979 ( -1.349 -2.337 7.930) 8.377 ======================= Grid point 869 (161/162) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( -0.024 16.022 -10.402) 19.102 4.166 ( -0.040 -18.076 -11.869) 21.624 4.540 ( -13.905 39.702 -0.945) 42.077 5.352 ( 18.635 2.457 0.876) 18.817 5.842 ( -4.139 -19.361 4.749) 20.360 6.159 ( 2.178 7.434 6.568) 10.156 7.319 ( 3.883 -3.785 7.948) 9.621 7.687 ( -0.698 1.817 12.792) 12.939 8.199 ( -5.674 -18.539 9.596) 21.633 8.610 ( 4.415 5.546 -5.553) 9.005 8.979 ( -3.530 -10.232 -7.180) 12.989 10.424 ( 9.990 24.385 -1.454) 26.392 10.854 ( -28.954 6.264 -4.367) 29.944 11.443 ( 18.222 -25.067 -4.167) 31.270 13.613 ( -0.181 5.185 -3.927) 6.507 14.009 ( 0.153 -6.070 0.046) 6.072 15.505 ( -2.852 7.781 -0.250) 8.291 16.757 ( 5.825 12.401 0.630) 13.715 17.263 ( -2.288 -11.541 0.692) 11.786 18.339 ( -4.760 11.728 -3.421) 13.111 18.544 ( 15.058 4.690 -6.055) 16.894 18.885 ( -10.648 -14.165 -11.718) 21.245 19.204 ( 3.287 10.436 8.939) 14.129 19.666 ( -2.188 -10.933 1.296) 11.224 21.328 ( -0.226 0.731 1.021) 1.276 21.369 ( -0.273 -0.994 1.018) 1.448 21.947 ( -0.325 -1.068 8.840) 8.910 ======================= Grid point 893 (162/162) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( -9.079 -15.725 -11.280) 21.376 3.800 ( 9.079 15.725 -11.280) 21.376 5.197 ( -0.000 -0.000 0.745) 0.745 5.387 ( -3.586 -6.212 0.953) 7.236 5.387 ( 3.586 6.212 0.953) 7.236 6.243 ( -0.000 -0.000 6.445) 6.445 7.272 ( -0.000 -0.000 7.661) 7.661 7.844 ( -6.986 -12.100 14.398) 20.062 7.844 ( 6.986 12.100 14.398) 20.062 8.785 ( -4.836 -8.376 -7.400) 12.178 8.785 ( 4.836 8.376 -7.400) 12.178 10.869 ( -0.000 -0.000 -6.975) 6.975 10.955 ( -8.649 -14.980 -2.306) 17.450 10.955 ( 8.649 14.980 -2.306) 17.450 13.665 ( -0.000 -0.000 -4.397) 4.397 13.948 ( -0.000 -0.000 0.172) 0.172 15.584 ( -0.000 -0.000 -0.402) 0.402 17.014 ( -6.595 -11.423 0.864) 13.218 17.014 ( 6.595 11.423 0.864) 13.218 18.582 ( -4.669 -8.088 -3.729) 10.056 18.582 ( 4.669 8.088 -3.729) 10.056 18.613 ( -0.000 -0.000 -11.164) 11.164 19.438 ( -5.944 -10.295 3.380) 12.359 19.438 ( 5.944 10.295 3.380) 12.359 21.347 ( -0.555 -0.962 1.071) 1.543 21.347 ( 0.555 0.962 1.071) 1.543 21.936 ( -0.000 -0.000 9.570) 9.570 =================== 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 3/38880 10.0 6588.095 6588.095 2035.384 -0.000 0.000 -0.000 3/38880 20.0 2600.910 2600.910 1417.739 -0.000 0.000 -0.000 3/38880 30.0 1107.622 1107.622 546.080 -0.000 -0.000 -0.000 3/38880 40.0 528.190 528.190 226.393 -0.000 -0.000 -0.000 3/38880 50.0 309.768 309.768 118.536 -0.000 -0.000 -0.000 3/38880 60.0 208.172 208.172 73.708 -0.000 -0.000 -0.000 3/38880 70.0 152.741 152.741 51.448 -0.000 -0.000 -0.000 3/38880 80.0 119.062 119.062 38.849 -0.000 -0.000 -0.000 3/38880 90.0 96.918 96.918 30.985 -0.000 -0.000 -0.000 3/38880 100.0 81.439 81.439 25.695 -0.000 -0.000 -0.000 3/38880 110.0 70.084 70.084 21.925 -0.000 -0.000 -0.000 3/38880 120.0 61.428 61.428 19.116 -0.000 -0.000 -0.000 3/38880 130.0 54.622 54.622 16.947 -0.000 -0.000 -0.000 3/38880 140.0 49.140 49.140 15.225 -0.000 0.000 -0.000 3/38880 150.0 44.634 44.634 13.826 -0.000 0.000 -0.000 3/38880 160.0 40.869 40.869 12.667 -0.000 0.000 -0.000 3/38880 170.0 37.681 37.681 11.693 -0.000 0.000 -0.000 3/38880 180.0 34.949 34.949 10.863 -0.000 0.000 -0.000 3/38880 190.0 32.583 32.583 10.148 -0.000 0.000 -0.000 3/38880 200.0 30.518 30.518 9.525 -0.000 0.000 -0.000 3/38880 210.0 28.699 28.699 8.978 -0.000 0.000 -0.000 3/38880 220.0 27.086 27.086 8.493 -0.000 0.000 -0.000 3/38880 230.0 25.648 25.648 8.061 -0.000 0.000 -0.000 3/38880 240.0 24.356 24.356 7.673 -0.000 0.000 -0.000 3/38880 250.0 23.191 23.191 7.322 -0.000 0.000 -0.000 3/38880 260.0 22.135 22.135 7.004 -0.000 0.000 -0.000 3/38880 270.0 21.173 21.173 6.714 -0.000 0.000 -0.000 3/38880 280.0 20.293 20.293 6.449 -0.000 0.000 -0.000 3/38880 290.0 19.485 19.485 6.204 -0.000 0.000 -0.000 3/38880 300.0 18.741 18.741 5.979 -0.000 0.000 -0.000 3/38880 310.0 18.053 18.053 5.770 -0.000 0.000 -0.000 3/38880 320.0 17.416 17.416 5.576 -0.000 0.000 -0.000 3/38880 330.0 16.823 16.823 5.395 -0.000 0.000 -0.000 3/38880 340.0 16.270 16.270 5.226 -0.000 0.000 -0.000 3/38880 350.0 15.754 15.754 5.068 -0.000 0.000 -0.000 3/38880 360.0 15.270 15.270 4.920 -0.000 0.000 -0.000 3/38880 370.0 14.817 14.817 4.780 -0.000 0.000 -0.000 3/38880 380.0 14.390 14.390 4.648 -0.000 0.000 -0.000 3/38880 390.0 13.987 13.987 4.524 -0.000 0.000 -0.000 3/38880 400.0 13.608 13.608 4.406 -0.000 0.000 -0.000 3/38880 410.0 13.249 13.249 4.295 -0.000 0.000 -0.000 3/38880 420.0 12.908 12.908 4.189 -0.000 0.000 -0.000 3/38880 430.0 12.586 12.586 4.088 -0.000 0.000 -0.000 3/38880 440.0 12.279 12.279 3.992 -0.000 0.000 -0.000 3/38880 450.0 11.988 11.988 3.901 -0.000 0.000 -0.000 3/38880 460.0 11.710 11.710 3.814 -0.000 0.000 -0.000 3/38880 470.0 11.445 11.445 3.731 -0.000 0.000 -0.000 3/38880 480.0 11.193 11.193 3.651 -0.000 0.000 -0.000 3/38880 490.0 10.951 10.951 3.575 -0.000 0.000 -0.000 3/38880 500.0 10.720 10.720 3.502 -0.000 0.000 -0.000 3/38880 510.0 10.499 10.499 3.432 -0.000 0.000 -0.000 3/38880 520.0 10.286 10.286 3.365 -0.000 0.000 -0.000 3/38880 530.0 10.083 10.083 3.301 -0.000 0.000 -0.000 3/38880 540.0 9.887 9.887 3.238 -0.000 0.000 -0.000 3/38880 550.0 9.699 9.699 3.179 -0.000 0.000 -0.000 3/38880 560.0 9.518 9.518 3.121 -0.000 0.000 -0.000 3/38880 570.0 9.344 9.344 3.066 -0.000 0.000 -0.000 3/38880 580.0 9.177 9.177 3.012 -0.000 0.000 -0.000 3/38880 590.0 9.015 9.015 2.960 -0.000 0.000 -0.000 3/38880 600.0 8.859 8.859 2.911 -0.000 0.000 -0.000 3/38880 610.0 8.709 8.709 2.862 -0.000 0.000 -0.000 3/38880 620.0 8.563 8.563 2.816 -0.000 0.000 -0.000 3/38880 630.0 8.423 8.423 2.771 -0.000 0.000 -0.000 3/38880 640.0 8.287 8.287 2.727 -0.000 0.000 -0.000 3/38880 650.0 8.155 8.155 2.685 -0.000 0.000 -0.000 3/38880 660.0 8.028 8.028 2.644 -0.000 0.000 -0.000 3/38880 670.0 7.904 7.904 2.604 -0.000 0.000 -0.000 3/38880 680.0 7.784 7.784 2.565 -0.000 0.000 -0.000 3/38880 690.0 7.668 7.668 2.528 -0.000 0.000 -0.000 3/38880 700.0 7.556 7.556 2.491 -0.000 0.000 -0.000 3/38880 710.0 7.447 7.447 2.456 -0.000 0.000 -0.000 3/38880 720.0 7.341 7.341 2.422 -0.000 0.000 -0.000 3/38880 730.0 7.237 7.237 2.389 -0.000 0.000 -0.000 3/38880 740.0 7.137 7.137 2.356 -0.000 0.000 -0.000 3/38880 750.0 7.040 7.040 2.324 -0.000 0.000 -0.000 3/38880 760.0 6.945 6.945 2.294 -0.000 0.000 -0.000 3/38880 770.0 6.853 6.853 2.264 -0.000 0.000 -0.000 3/38880 780.0 6.763 6.763 2.235 -0.000 0.000 -0.000 3/38880 790.0 6.676 6.676 2.206 -0.000 0.000 -0.000 3/38880 800.0 6.590 6.590 2.179 -0.000 0.000 -0.000 3/38880 810.0 6.507 6.507 2.152 -0.000 0.000 -0.000 3/38880 820.0 6.427 6.427 2.125 -0.000 0.000 -0.000 3/38880 830.0 6.348 6.348 2.100 -0.000 0.000 -0.000 3/38880 840.0 6.271 6.271 2.074 -0.000 0.000 -0.000 3/38880 850.0 6.196 6.196 2.050 -0.000 0.000 -0.000 3/38880 860.0 6.122 6.122 2.026 -0.000 0.000 -0.000 3/38880 870.0 6.051 6.051 2.003 -0.000 0.000 -0.000 3/38880 880.0 5.981 5.981 1.980 -0.000 0.000 -0.000 3/38880 890.0 5.912 5.912 1.958 -0.000 0.000 -0.000 3/38880 900.0 5.846 5.846 1.936 -0.000 0.000 -0.000 3/38880 910.0 5.780 5.780 1.915 -0.000 0.000 -0.000 3/38880 920.0 5.717 5.717 1.894 -0.000 0.000 -0.000 3/38880 930.0 5.654 5.654 1.873 -0.000 0.000 -0.000 3/38880 940.0 5.593 5.593 1.853 -0.000 0.000 -0.000 3/38880 950.0 5.534 5.534 1.834 -0.000 0.000 -0.000 3/38880 960.0 5.475 5.475 1.815 -0.000 0.000 -0.000 3/38880 970.0 5.418 5.418 1.796 -0.000 0.000 -0.000 3/38880 980.0 5.362 5.362 1.778 -0.000 0.000 -0.000 3/38880 990.0 5.307 5.307 1.760 -0.000 0.000 -0.000 3/38880 1000.0 5.253 5.253 1.742 -0.000 0.000 -0.000 3/38880 Thermal conductivity related properties were written into "kappa-m121210.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:17:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|