----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:31:19]------------------------- 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: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.926370384681382 1.689540729344341 4.864126366666661 b -2.926370384681376 1.689540729344341 4.864126366666661 c 0.000000000000003 -3.379081458688687 4.864126366666661 Atomic positions (fractional): *1 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 *2 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 *3 Ga 0.86223441176486 0.86223441176486 0.86223441176486 69.723 4 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 5 Ga 0.13776558823514 0.13776558823514 0.13776558823514 69.723 6 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 *7 N 0.26769776503854 0.26769776503854 0.26769776503854 14.007 8 N 0.73230223496146 0.73230223496146 0.73230223496146 14.007 *9 O 0.25967364097454 0.73967844550634 0.25967364097454 15.999 10 O 0.73967844550633 0.25967364097454 0.25967364097454 15.999 11 O 0.25967364097454 0.25967364097454 0.73967844550633 15.999 12 O 0.74032635902546 0.74032635902547 0.26032155449366 15.999 13 O 0.74032635902546 0.26032155449367 0.74032635902546 15.999 14 O 0.26032155449366 0.74032635902547 0.74032635902546 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.852740769362758 0.000000000000000 0.000000000000000 b -2.926370384681379 5.068622188033029 0.000000000000000 c 0.000000000000000 0.000000000000000 14.592379099999999 Atomic positions (fractional): *1 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 1 *2 Ga 0.66666666666667 0.33333333333333 0.83333333333333 69.723 > 2 *3 Ga 0.00000000000000 0.00000000000000 0.86223441176486 69.723 > 3 4 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 4 5 Ga 0.33333333333333 0.66666666666667 0.80443225490181 69.723 > 5 6 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 6 7 Ga 0.66666666666667 0.83333333333333 0.33333333333333 69.723 > 1 8 Ga 0.33333333333333 0.66666666666667 0.16666666666667 69.723 > 2 9 Ga 0.66666666666667 0.33333333333333 0.19556774509819 69.723 > 3 10 Ga 0.16666666666667 0.83333333333333 0.33333333333333 69.723 > 4 11 Ga 0.00000000000000 0.00000000000000 0.13776558823514 69.723 > 5 12 Ga 0.16666666666667 0.33333333333333 0.33333333333333 69.723 > 6 13 Ga 0.33333333333333 0.16666666666667 0.66666666666667 69.723 > 1 14 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 2 15 Ga 0.33333333333333 0.66666666666667 0.52890107843153 69.723 > 3 16 Ga 0.83333333333333 0.16666666666667 0.66666666666667 69.723 > 4 17 Ga 0.66666666666667 0.33333333333333 0.47109892156847 69.723 > 5 18 Ga 0.83333333333333 0.66666666666667 0.66666666666667 69.723 > 6 *19 N 0.33333333333333 0.66666666666667 0.93436443170521 14.007 > 7 20 N 0.00000000000000 0.00000000000000 0.73230223496146 14.007 > 8 21 N 0.00000000000000 0.00000000000000 0.26769776503854 14.007 > 7 22 N 0.66666666666667 0.33333333333333 0.06563556829479 14.007 > 8 23 N 0.66666666666667 0.33333333333333 0.60103109837187 14.007 > 7 24 N 0.33333333333333 0.66666666666667 0.39896890162812 14.007 > 8 *25 O 0.50666506515607 0.49333493484393 0.75300857581847 15.999 > 9 26 O 0.98666986968787 0.49333493484393 0.75300857581847 15.999 > 10 27 O 0.50666506515607 0.01333013031213 0.75300857581847 15.999 > 11 28 O 0.82666826817727 0.65333653635453 0.91365809084820 15.999 > 12 29 O 0.82666826817727 0.17333173182273 0.91365809084820 15.999 > 13 30 O 0.34666346364547 0.17333173182273 0.91365809084820 15.999 > 14 31 O 0.17333173182273 0.82666826817727 0.08634190915180 15.999 > 9 32 O 0.65333653635453 0.82666826817727 0.08634190915180 15.999 > 10 33 O 0.17333173182273 0.34666346364547 0.08634190915180 15.999 > 11 34 O 0.49333493484393 0.98666986968787 0.24699142418153 15.999 > 12 35 O 0.49333493484393 0.50666506515607 0.24699142418153 15.999 > 13 36 O 0.01333013031213 0.50666506515607 0.24699142418153 15.999 > 14 37 O 0.83999839848940 0.16000160151060 0.41967524248513 15.999 > 9 38 O 0.32000320302120 0.16000160151060 0.41967524248513 15.999 > 10 39 O 0.83999839848940 0.67999679697880 0.41967524248513 15.999 > 11 40 O 0.16000160151060 0.32000320302120 0.58032475751486 15.999 > 12 41 O 0.16000160151060 0.83999839848940 0.58032475751486 15.999 > 13 42 O 0.67999679697880 0.83999839848940 0.58032475751486 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 5.852740769362758 0.000000000000000 0.000000000000000 b -2.926370384681379 5.068622188033029 0.000000000000000 c 0.000000000000000 0.000000000000000 14.592379099999999 Atomic positions (fractional): *1 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 1 *2 Ga 0.66666666666667 0.33333333333333 0.83333333333333 69.723 > 2 *3 Ga 0.00000000000000 0.00000000000000 0.86223441176486 69.723 > 3 4 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 4 5 Ga 0.33333333333333 0.66666666666667 0.80443225490181 69.723 > 5 6 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 6 7 Ga 0.66666666666667 0.83333333333333 0.33333333333333 69.723 > 1 8 Ga 0.33333333333333 0.66666666666667 0.16666666666667 69.723 > 2 9 Ga 0.66666666666667 0.33333333333333 0.19556774509819 69.723 > 3 10 Ga 0.16666666666667 0.83333333333333 0.33333333333333 69.723 > 4 11 Ga 0.00000000000000 0.00000000000000 0.13776558823514 69.723 > 5 12 Ga 0.16666666666667 0.33333333333333 0.33333333333333 69.723 > 6 13 Ga 0.33333333333333 0.16666666666667 0.66666666666667 69.723 > 1 14 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 2 15 Ga 0.33333333333333 0.66666666666667 0.52890107843153 69.723 > 3 16 Ga 0.83333333333333 0.16666666666667 0.66666666666667 69.723 > 4 17 Ga 0.66666666666667 0.33333333333333 0.47109892156847 69.723 > 5 18 Ga 0.83333333333333 0.66666666666667 0.66666666666667 69.723 > 6 *19 N 0.33333333333333 0.66666666666667 0.93436443170521 14.007 > 7 20 N 0.00000000000000 0.00000000000000 0.73230223496146 14.007 > 8 21 N 0.00000000000000 0.00000000000000 0.26769776503854 14.007 > 7 22 N 0.66666666666667 0.33333333333333 0.06563556829479 14.007 > 8 23 N 0.66666666666667 0.33333333333333 0.60103109837187 14.007 > 7 24 N 0.33333333333333 0.66666666666667 0.39896890162812 14.007 > 8 *25 O 0.50666506515607 0.49333493484393 0.75300857581847 15.999 > 9 26 O 0.98666986968787 0.49333493484393 0.75300857581847 15.999 > 10 27 O 0.50666506515607 0.01333013031213 0.75300857581847 15.999 > 11 28 O 0.82666826817727 0.65333653635453 0.91365809084820 15.999 > 12 29 O 0.82666826817727 0.17333173182273 0.91365809084820 15.999 > 13 30 O 0.34666346364547 0.17333173182273 0.91365809084820 15.999 > 14 31 O 0.17333173182273 0.82666826817727 0.08634190915180 15.999 > 9 32 O 0.65333653635453 0.82666826817727 0.08634190915180 15.999 > 10 33 O 0.17333173182273 0.34666346364547 0.08634190915180 15.999 > 11 34 O 0.49333493484393 0.98666986968787 0.24699142418153 15.999 > 12 35 O 0.49333493484393 0.50666506515607 0.24699142418153 15.999 > 13 36 O 0.01333013031213 0.50666506515607 0.24699142418153 15.999 > 14 37 O 0.83999839848940 0.16000160151060 0.41967524248513 15.999 > 9 38 O 0.32000320302120 0.16000160151060 0.41967524248513 15.999 > 10 39 O 0.83999839848940 0.67999679697880 0.41967524248513 15.999 > 11 40 O 0.16000160151060 0.32000320302120 0.58032475751486 15.999 > 12 41 O 0.16000160151060 0.83999839848940 0.58032475751486 15.999 > 13 42 O 0.67999679697880 0.83999839848940 0.58032475751486 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7714427 0.0000000 0.0000000 0.0000000 4.7714427 0.0000000 0.0000000 0.0000000 4.9210553 -------------------------- Born effective charges -------------------------- 1 Ga 3.1965683 0.1947845 0.1741639 0.1947845 2.9716505 0.1005536 0.1604551 0.0926388 3.1098748 2 Ga 3.0945590 0.0000000 0.0000000 0.0000000 3.0945590 0.0000000 -0.0000000 -0.0000000 3.3263422 3 Ga 3.0533884 0.0000000 0.0000000 0.0000000 3.0533884 0.0000000 -0.0000000 -0.0000000 3.0235087 4 Ga 3.1965683 -0.1947845 -0.1741639 -0.1947845 2.9716505 0.1005536 -0.1604551 0.0926388 3.1098748 5 Ga 3.0533884 0.0000000 0.0000000 0.0000000 3.0533884 0.0000000 -0.0000000 -0.0000000 3.0235087 6 Ga 2.8591916 0.0000000 0.0000000 0.0000000 3.3090272 -0.2011071 -0.0000000 -0.1852776 3.1098748 7 N -2.1154759 -0.0000000 0.0000000 0.0000000 -2.1154759 0.0000000 -0.0000000 -0.0000000 -2.6465455 8 N -2.1154759 -0.0000000 0.0000000 0.0000000 -2.1154759 0.0000000 -0.0000000 -0.0000000 -2.6465455 9 O -2.5073445 0.2371046 0.3621793 0.2371046 -2.2335596 -0.2091043 0.4004812 -0.2312179 -2.2349822 10 O -2.5073445 -0.2371046 -0.3621793 -0.2371046 -2.2335596 -0.2091043 -0.4004812 -0.2312179 -2.2349822 11 O -2.0966672 -0.0000000 0.0000000 0.0000000 -2.6442369 0.4182086 -0.0000000 0.4624358 -2.2349822 12 O -2.0966672 -0.0000000 0.0000000 0.0000000 -2.6442369 0.4182086 -0.0000000 0.4624358 -2.2349822 13 O -2.5073445 0.2371046 0.3621793 0.2371046 -2.2335596 -0.2091043 0.4004812 -0.2312179 -2.2349822 14 O -2.5073445 -0.2371046 -0.3621793 -0.2371046 -2.2335596 -0.2091043 -0.4004812 -0.2312179 -2.2349822 ---------------------------------------------------------------------------- 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: 126/126 Permutation basis: 3309/3309 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 279 Number of blocks in projector: 209 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: 124 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 67 Use standard eigh solver. Tree of FC basis block matrices: - (279, 263), data: False |-- (67, 62), data: True |-- (88, 84), data: True |-- (124, 117), data: True ----- Solver_atoms: 1 -- 42 / 42 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 160 - Time: 0.068 Solver_block: 160 / 160 - Time: 0.050 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.120 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 126/126 Permutation basis: 3309/3309 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 279 Number of blocks in projector: 209 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: 124 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 67 Use standard eigh solver. Tree of FC basis block matrices: - (279, 263), data: False |-- (67, 62), data: True |-- (88, 84), data: True |-- (124, 117), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:31:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:31:22]------------------------- 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): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.926370384681382 1.689540729344341 4.864126366666661 b -2.926370384681376 1.689540729344341 4.864126366666661 c 0.000000000000003 -3.379081458688687 4.864126366666661 Atomic positions (fractional): 1 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 2 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 3 Ga 0.86223441176486 0.86223441176486 0.86223441176486 69.723 4 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 5 Ga 0.13776558823514 0.13776558823514 0.13776558823514 69.723 6 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 7 N 0.26769776503854 0.26769776503854 0.26769776503854 14.007 8 N 0.73230223496146 0.73230223496146 0.73230223496146 14.007 9 O 0.25967364097454 0.73967844550634 0.25967364097454 15.999 10 O 0.73967844550633 0.25967364097454 0.25967364097454 15.999 11 O 0.25967364097454 0.25967364097454 0.73967844550633 15.999 12 O 0.74032635902546 0.74032635902547 0.26032155449366 15.999 13 O 0.74032635902546 0.26032155449367 0.74032635902546 15.999 14 O 0.26032155449366 0.74032635902547 0.74032635902546 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.852740769362758 0.000000000000000 0.000000000000000 b -2.926370384681379 5.068622188033029 0.000000000000000 c 0.000000000000000 0.000000000000000 14.592379099999999 Atomic positions (fractional): 1 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 1 2 Ga 0.66666666666667 0.33333333333333 0.83333333333333 69.723 > 2 3 Ga 0.00000000000000 0.00000000000000 0.86223441176486 69.723 > 3 4 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 4 5 Ga 0.33333333333333 0.66666666666667 0.80443225490181 69.723 > 5 6 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 6 7 Ga 0.66666666666667 0.83333333333333 0.33333333333333 69.723 > 1 8 Ga 0.33333333333333 0.66666666666667 0.16666666666667 69.723 > 2 9 Ga 0.66666666666667 0.33333333333333 0.19556774509819 69.723 > 3 10 Ga 0.16666666666667 0.83333333333333 0.33333333333333 69.723 > 4 11 Ga 0.00000000000000 0.00000000000000 0.13776558823514 69.723 > 5 12 Ga 0.16666666666667 0.33333333333333 0.33333333333333 69.723 > 6 13 Ga 0.33333333333333 0.16666666666667 0.66666666666667 69.723 > 1 14 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 2 15 Ga 0.33333333333333 0.66666666666667 0.52890107843153 69.723 > 3 16 Ga 0.83333333333333 0.16666666666667 0.66666666666667 69.723 > 4 17 Ga 0.66666666666667 0.33333333333333 0.47109892156847 69.723 > 5 18 Ga 0.83333333333333 0.66666666666667 0.66666666666667 69.723 > 6 19 N 0.33333333333333 0.66666666666667 0.93436443170521 14.007 > 19 20 N 0.00000000000000 0.00000000000000 0.73230223496146 14.007 > 20 21 N 0.00000000000000 0.00000000000000 0.26769776503854 14.007 > 19 22 N 0.66666666666667 0.33333333333333 0.06563556829479 14.007 > 20 23 N 0.66666666666667 0.33333333333333 0.60103109837187 14.007 > 19 24 N 0.33333333333333 0.66666666666667 0.39896890162812 14.007 > 20 25 O 0.50666506515607 0.49333493484393 0.75300857581847 15.999 > 25 26 O 0.98666986968787 0.49333493484393 0.75300857581847 15.999 > 26 27 O 0.50666506515607 0.01333013031213 0.75300857581847 15.999 > 27 28 O 0.82666826817727 0.65333653635453 0.91365809084820 15.999 > 28 29 O 0.82666826817727 0.17333173182273 0.91365809084820 15.999 > 29 30 O 0.34666346364547 0.17333173182273 0.91365809084820 15.999 > 30 31 O 0.17333173182273 0.82666826817727 0.08634190915180 15.999 > 25 32 O 0.65333653635453 0.82666826817727 0.08634190915180 15.999 > 26 33 O 0.17333173182273 0.34666346364547 0.08634190915180 15.999 > 27 34 O 0.49333493484393 0.98666986968787 0.24699142418153 15.999 > 28 35 O 0.49333493484393 0.50666506515607 0.24699142418153 15.999 > 29 36 O 0.01333013031213 0.50666506515607 0.24699142418153 15.999 > 30 37 O 0.83999839848940 0.16000160151060 0.41967524248513 15.999 > 25 38 O 0.32000320302120 0.16000160151060 0.41967524248513 15.999 > 26 39 O 0.83999839848940 0.67999679697880 0.41967524248513 15.999 > 27 40 O 0.16000160151060 0.32000320302120 0.58032475751486 15.999 > 28 41 O 0.16000160151060 0.83999839848940 0.58032475751486 15.999 > 29 42 O 0.67999679697880 0.83999839848940 0.58032475751486 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7714427 0.0000000 0.0000000 0.0000000 4.7714427 0.0000000 0.0000000 0.0000000 4.9210553 -------------------------- Born effective charges -------------------------- 1 Ga 3.1965683 0.1947845 0.1741639 0.1947845 2.9716505 0.1005536 0.1604551 0.0926388 3.1098748 2 Ga 3.0945590 0.0000000 0.0000000 0.0000000 3.0945590 0.0000000 -0.0000000 -0.0000000 3.3263422 3 Ga 3.0533884 0.0000000 0.0000000 0.0000000 3.0533884 0.0000000 -0.0000000 -0.0000000 3.0235087 4 Ga 3.1965683 -0.1947845 -0.1741639 -0.1947845 2.9716505 0.1005536 -0.1604551 0.0926388 3.1098748 5 Ga 3.0533884 0.0000000 0.0000000 0.0000000 3.0533884 0.0000000 -0.0000000 -0.0000000 3.0235087 6 Ga 2.8591916 0.0000000 0.0000000 0.0000000 3.3090272 -0.2011071 -0.0000000 -0.1852776 3.1098748 7 N -2.1154759 -0.0000000 0.0000000 0.0000000 -2.1154759 0.0000000 -0.0000000 -0.0000000 -2.6465455 8 N -2.1154759 -0.0000000 0.0000000 0.0000000 -2.1154759 0.0000000 -0.0000000 -0.0000000 -2.6465455 9 O -2.5073445 0.2371046 0.3621793 0.2371046 -2.2335596 -0.2091043 0.4004812 -0.2312179 -2.2349822 10 O -2.5073445 -0.2371046 -0.3621793 -0.2371046 -2.2335596 -0.2091043 -0.4004812 -0.2312179 -2.2349822 11 O -2.0966672 -0.0000000 0.0000000 0.0000000 -2.6442369 0.4182086 -0.0000000 0.4624358 -2.2349822 12 O -2.0966672 -0.0000000 0.0000000 0.0000000 -2.6442369 0.4182086 -0.0000000 0.4624358 -2.2349822 13 O -2.5073445 0.2371046 0.3621793 0.2371046 -2.2335596 -0.2091043 0.4004812 -0.2312179 -2.2349822 14 O -2.5073445 -0.2371046 -0.3621793 -0.2371046 -2.2335596 -0.2091043 -0.4004812 -0.2312179 -2.2349822 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 2, 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[ 3, 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[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:31:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:31:25]------------------------- 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): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.926370384681382 1.689540729344341 4.864126366666661 b -2.926370384681376 1.689540729344341 4.864126366666661 c 0.000000000000003 -3.379081458688687 4.864126366666661 Atomic positions (fractional): 1 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 2 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 3 Ga 0.86223441176486 0.86223441176486 0.86223441176486 69.723 4 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 5 Ga 0.13776558823514 0.13776558823514 0.13776558823514 69.723 6 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 7 N 0.26769776503854 0.26769776503854 0.26769776503854 14.007 8 N 0.73230223496146 0.73230223496146 0.73230223496146 14.007 9 O 0.25967364097454 0.73967844550634 0.25967364097454 15.999 10 O 0.73967844550633 0.25967364097454 0.25967364097454 15.999 11 O 0.25967364097454 0.25967364097454 0.73967844550633 15.999 12 O 0.74032635902546 0.74032635902547 0.26032155449366 15.999 13 O 0.74032635902546 0.26032155449367 0.74032635902546 15.999 14 O 0.26032155449366 0.74032635902547 0.74032635902546 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.852740769362758 0.000000000000000 0.000000000000000 b -2.926370384681379 5.068622188033029 0.000000000000000 c 0.000000000000000 0.000000000000000 14.592379099999999 Atomic positions (fractional): 1 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 1 2 Ga 0.66666666666667 0.33333333333333 0.83333333333333 69.723 > 2 3 Ga 0.00000000000000 0.00000000000000 0.86223441176486 69.723 > 3 4 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 4 5 Ga 0.33333333333333 0.66666666666667 0.80443225490181 69.723 > 5 6 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 6 7 Ga 0.66666666666667 0.83333333333333 0.33333333333333 69.723 > 1 8 Ga 0.33333333333333 0.66666666666667 0.16666666666667 69.723 > 2 9 Ga 0.66666666666667 0.33333333333333 0.19556774509819 69.723 > 3 10 Ga 0.16666666666667 0.83333333333333 0.33333333333333 69.723 > 4 11 Ga 0.00000000000000 0.00000000000000 0.13776558823514 69.723 > 5 12 Ga 0.16666666666667 0.33333333333333 0.33333333333333 69.723 > 6 13 Ga 0.33333333333333 0.16666666666667 0.66666666666667 69.723 > 1 14 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 2 15 Ga 0.33333333333333 0.66666666666667 0.52890107843153 69.723 > 3 16 Ga 0.83333333333333 0.16666666666667 0.66666666666667 69.723 > 4 17 Ga 0.66666666666667 0.33333333333333 0.47109892156847 69.723 > 5 18 Ga 0.83333333333333 0.66666666666667 0.66666666666667 69.723 > 6 19 N 0.33333333333333 0.66666666666667 0.93436443170521 14.007 > 19 20 N 0.00000000000000 0.00000000000000 0.73230223496146 14.007 > 20 21 N 0.00000000000000 0.00000000000000 0.26769776503854 14.007 > 19 22 N 0.66666666666667 0.33333333333333 0.06563556829479 14.007 > 20 23 N 0.66666666666667 0.33333333333333 0.60103109837187 14.007 > 19 24 N 0.33333333333333 0.66666666666667 0.39896890162812 14.007 > 20 25 O 0.50666506515607 0.49333493484393 0.75300857581847 15.999 > 25 26 O 0.98666986968787 0.49333493484393 0.75300857581847 15.999 > 26 27 O 0.50666506515607 0.01333013031213 0.75300857581847 15.999 > 27 28 O 0.82666826817727 0.65333653635453 0.91365809084820 15.999 > 28 29 O 0.82666826817727 0.17333173182273 0.91365809084820 15.999 > 29 30 O 0.34666346364547 0.17333173182273 0.91365809084820 15.999 > 30 31 O 0.17333173182273 0.82666826817727 0.08634190915180 15.999 > 25 32 O 0.65333653635453 0.82666826817727 0.08634190915180 15.999 > 26 33 O 0.17333173182273 0.34666346364547 0.08634190915180 15.999 > 27 34 O 0.49333493484393 0.98666986968787 0.24699142418153 15.999 > 28 35 O 0.49333493484393 0.50666506515607 0.24699142418153 15.999 > 29 36 O 0.01333013031213 0.50666506515607 0.24699142418153 15.999 > 30 37 O 0.83999839848940 0.16000160151060 0.41967524248513 15.999 > 25 38 O 0.32000320302120 0.16000160151060 0.41967524248513 15.999 > 26 39 O 0.83999839848940 0.67999679697880 0.41967524248513 15.999 > 27 40 O 0.16000160151060 0.32000320302120 0.58032475751486 15.999 > 28 41 O 0.16000160151060 0.83999839848940 0.58032475751486 15.999 > 29 42 O 0.67999679697880 0.83999839848940 0.58032475751486 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7714427 0.0000000 0.0000000 0.0000000 4.7714427 0.0000000 0.0000000 0.0000000 4.9210553 -------------------------- Born effective charges -------------------------- 1 Ga 3.1965683 0.1947845 0.1741639 0.1947845 2.9716505 0.1005536 0.1604551 0.0926388 3.1098748 2 Ga 3.0945590 0.0000000 0.0000000 0.0000000 3.0945590 0.0000000 -0.0000000 -0.0000000 3.3263422 3 Ga 3.0533884 0.0000000 0.0000000 0.0000000 3.0533884 0.0000000 -0.0000000 -0.0000000 3.0235087 4 Ga 3.1965683 -0.1947845 -0.1741639 -0.1947845 2.9716505 0.1005536 -0.1604551 0.0926388 3.1098748 5 Ga 3.0533884 0.0000000 0.0000000 0.0000000 3.0533884 0.0000000 -0.0000000 -0.0000000 3.0235087 6 Ga 2.8591916 0.0000000 0.0000000 0.0000000 3.3090272 -0.2011071 -0.0000000 -0.1852776 3.1098748 7 N -2.1154759 -0.0000000 0.0000000 0.0000000 -2.1154759 0.0000000 -0.0000000 -0.0000000 -2.6465455 8 N -2.1154759 -0.0000000 0.0000000 0.0000000 -2.1154759 0.0000000 -0.0000000 -0.0000000 -2.6465455 9 O -2.5073445 0.2371046 0.3621793 0.2371046 -2.2335596 -0.2091043 0.4004812 -0.2312179 -2.2349822 10 O -2.5073445 -0.2371046 -0.3621793 -0.2371046 -2.2335596 -0.2091043 -0.4004812 -0.2312179 -2.2349822 11 O -2.0966672 -0.0000000 0.0000000 0.0000000 -2.6442369 0.4182086 -0.0000000 0.4624358 -2.2349822 12 O -2.0966672 -0.0000000 0.0000000 0.0000000 -2.6442369 0.4182086 -0.0000000 0.4624358 -2.2349822 13 O -2.5073445 0.2371046 0.3621793 0.2371046 -2.2335596 -0.2091043 0.4004812 -0.2312179 -2.2349822 14 O -2.5073445 -0.2371046 -0.3621793 -0.2371046 -2.2335596 -0.2091043 -0.4004812 -0.2312179 -2.2349822 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 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: 0.79, Number of G-points: 307, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 3.896 ( 0.000 0.000 0.000) 0.000 3.896 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 6.153 ( 0.000 0.000 0.000) 0.000 6.153 ( 0.000 0.000 0.000) 0.000 6.165 ( 0.000 0.000 0.000) 0.000 6.165 ( 0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 9.428 ( 0.000 0.000 0.000) 0.000 9.630 ( 0.000 0.000 0.000) 0.000 9.814 ( 0.000 0.000 0.000) 0.000 9.814 ( 0.000 0.000 0.000) 0.000 9.880 ( 0.000 0.000 0.000) 0.000 9.880 ( 0.000 0.000 0.000) 0.000 10.389 ( 0.000 0.000 0.000) 0.000 10.389 ( 0.000 0.000 0.000) 0.000 10.395 ( 0.000 0.000 0.000) 0.000 10.395 ( 0.000 0.000 0.000) 0.000 10.882 ( 0.000 0.000 0.000) 0.000 11.222 ( 0.000 0.000 0.000) 0.000 11.828 ( 0.000 0.000 0.000) 0.000 13.239 ( 0.000 0.000 0.000) 0.000 13.239 ( 0.000 0.000 0.000) 0.000 14.138 ( 0.000 0.000 0.000) 0.000 14.138 ( 0.000 0.000 0.000) 0.000 14.292 ( 0.000 0.000 0.000) 0.000 15.228 ( 0.000 0.000 0.000) 0.000 15.228 ( 0.000 0.000 0.000) 0.000 17.689 ( 0.000 0.000 0.000) 0.000 18.156 ( 0.000 0.000 0.000) 0.000 18.888 ( 0.000 0.000 0.000) 0.000 18.888 ( 0.000 0.000 0.000) 0.000 18.941 ( 0.000 0.000 0.000) 0.000 18.941 ( 0.000 0.000 0.000) 0.000 22.673 ( 0.000 0.000 0.000) 0.000 22.787 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 25.018 14.444 20.020) 35.147 0.720 ( 31.580 18.233 -1.593) 36.501 1.596 ( 60.498 34.929 29.335) 75.767 2.446 ( 10.363 5.983 -0.341) 11.971 3.876 ( -1.759 -1.015 0.314) 2.055 3.974 ( 2.205 1.273 4.147) 4.867 5.096 ( 4.283 2.473 -1.996) 5.333 5.116 ( 5.072 2.928 -3.881) 7.026 5.583 ( 0.084 0.049 4.845) 4.846 5.868 ( -9.564 -5.522 -9.582) 14.621 6.011 ( -14.416 -8.323 4.794) 17.323 6.218 ( 4.641 2.679 -2.061) 5.742 6.430 ( 7.417 4.282 12.316) 15.001 6.818 ( 22.842 13.188 -10.976) 28.568 9.470 ( -7.307 -4.219 18.196) 20.057 9.605 ( -2.992 -1.727 -1.524) 3.776 9.771 ( -0.988 -0.570 -8.479) 8.555 9.773 ( -1.375 -0.794 -16.502) 16.579 9.919 ( 1.196 0.690 8.619) 8.728 9.919 ( -5.096 -2.942 10.154) 11.736 10.332 ( 1.395 0.805 -3.614) 3.957 10.528 ( 3.454 1.994 10.570) 11.297 10.556 ( 12.265 7.081 -0.628) 14.176 10.897 ( 1.162 0.671 0.356) 1.388 11.115 ( -0.165 -0.095 -13.241) 13.243 11.704 ( -1.666 -0.962 -14.502) 14.629 12.438 ( -11.035 -6.371 41.340) 43.259 13.214 ( -1.140 -0.658 -3.226) 3.484 13.810 ( -0.097 -0.056 -4.035) 4.036 14.164 ( 1.623 0.937 1.870) 2.647 14.280 ( 1.967 1.136 7.237) 7.585 14.309 ( 5.231 3.020 7.476) 9.611 15.234 ( 0.199 0.115 0.914) 0.943 17.352 ( 19.861 11.467 -67.715) 71.493 18.097 ( -10.964 -6.330 18.958) 22.797 18.294 ( -8.074 -4.662 20.452) 22.477 18.840 ( -2.165 -1.250 -4.235) 4.918 18.917 ( 2.750 1.588 0.168) 3.180 18.953 ( -0.784 -0.453 3.831) 3.937 20.564 ( 7.335 4.235 -36.947) 37.906 22.680 ( 0.339 0.196 0.834) 0.921 22.956 ( -12.955 -7.480 41.852) 44.445 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 29.013 16.750 -0.994) 33.515 1.408 ( 24.227 13.987 19.057) 33.849 2.725 ( 13.552 7.824 -2.280) 15.814 3.138 ( 57.320 33.094 26.692) 71.367 3.828 ( -2.924 -1.688 1.834) 3.843 4.051 ( 1.052 0.607 5.129) 5.271 5.151 ( -0.818 -0.472 -5.817) 5.893 5.155 ( 0.488 0.281 -7.636) 7.657 5.668 ( 2.073 1.197 9.611) 9.905 5.670 ( -0.372 -0.215 -2.900) 2.932 5.837 ( -0.963 -0.556 5.305) 5.420 6.343 ( 6.231 3.597 0.185) 7.197 6.661 ( 5.224 3.016 12.697) 14.057 7.273 ( 22.666 13.086 -8.091) 27.394 9.377 ( -10.226 -5.904 5.299) 12.942 9.415 ( -10.823 -6.249 -6.331) 14.009 9.534 ( -7.867 -4.542 -12.534) 15.480 9.701 ( -1.376 -0.795 -5.035) 5.280 9.913 ( -1.738 -1.003 5.395) 5.756 10.031 ( 4.672 2.697 3.165) 6.255 10.419 ( 5.209 3.008 5.673) 8.268 10.685 ( 3.824 2.208 10.765) 11.635 10.808 ( 5.197 3.000 -9.656) 11.369 10.939 ( 2.202 1.271 0.937) 2.710 11.064 ( 6.247 3.607 1.758) 7.424 11.531 ( -4.455 -2.572 -12.455) 13.476 12.467 ( -7.999 -4.618 29.347) 30.767 13.146 ( -1.972 -1.139 -5.876) 6.302 13.846 ( 6.374 3.680 -6.075) 9.544 14.230 ( 2.532 1.462 2.822) 4.064 14.281 ( -2.769 -1.598 6.953) 7.652 14.622 ( 12.471 7.200 12.192) 18.868 15.249 ( 0.405 0.234 1.572) 1.640 17.339 ( 9.219 5.323 -32.564) 34.260 17.921 ( -15.797 -9.121 19.430) 26.651 18.214 ( -5.333 -3.079 0.174) 6.160 18.747 ( -3.269 -1.887 -4.186) 5.636 18.950 ( -1.680 -0.970 3.505) 4.006 19.024 ( 5.910 3.412 2.169) 7.161 20.440 ( -0.775 -0.447 -20.511) 20.531 22.698 ( 0.608 0.351 1.082) 1.290 22.944 ( -6.799 -3.925 20.479) 21.932 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 23.523 13.581 -0.146) 27.163 2.069 ( 22.601 13.049 17.357) 31.343 2.994 ( 12.119 6.997 -5.270) 14.954 3.772 ( -4.015 -2.318 4.791) 6.667 3.967 ( -3.485 -2.012 -2.654) 4.821 4.631 ( 50.911 29.394 25.984) 64.274 4.954 ( -10.045 -5.800 -10.204) 15.449 5.031 ( -5.102 -2.945 -2.750) 6.501 5.744 ( 1.662 0.959 5.263) 5.602 5.875 ( 15.969 9.220 1.002) 18.466 6.061 ( 11.528 6.656 10.323) 16.845 6.484 ( 5.539 3.198 0.913) 6.461 6.832 ( 1.852 1.069 12.707) 12.886 7.730 ( 21.238 12.262 -5.839) 25.209 8.983 ( -20.056 -11.580 -12.818) 26.470 9.071 ( -14.112 -8.148 -8.223) 18.252 9.324 ( -8.736 -5.044 -1.656) 10.222 9.629 ( -2.028 -1.171 -3.987) 4.624 9.894 ( -1.919 -1.108 1.834) 2.876 10.161 ( 5.478 3.163 -0.137) 6.327 10.599 ( 4.961 2.864 9.197) 10.835 10.649 ( -9.186 -5.304 -4.398) 11.483 10.838 ( 3.315 1.914 9.076) 9.850 11.013 ( 3.356 1.938 2.354) 4.535 11.304 ( 0.188 0.109 -5.076) 5.081 11.477 ( 15.846 9.149 -7.524) 19.784 12.468 ( -8.272 -4.776 25.131) 26.885 13.052 ( -2.198 -1.269 -6.995) 7.441 13.979 ( 7.058 4.075 -5.967) 10.101 14.274 ( -1.282 -0.740 7.814) 7.952 14.308 ( 2.456 1.418 2.612) 3.856 15.022 ( 14.992 8.656 12.275) 21.222 15.271 ( 0.504 0.291 1.677) 1.775 17.311 ( 3.106 1.793 -19.936) 20.256 17.674 ( -14.353 -8.287 13.374) 21.297 18.060 ( -6.976 -4.027 -2.638) 8.476 18.643 ( -3.337 -1.927 -3.292) 5.068 18.929 ( -1.847 -1.066 2.573) 3.342 19.208 ( 7.731 4.463 5.090) 10.276 20.255 ( -4.438 -2.562 -15.272) 16.109 22.720 ( 0.709 0.409 0.669) 1.057 22.929 ( -4.385 -2.532 12.277) 13.280 ======================= Grid point 4 (5/116) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 12.820 7.402 0.379) 14.808 2.662 ( 19.335 11.163 14.382) 26.558 3.227 ( 12.656 7.307 -7.062) 16.231 3.696 ( -6.838 -3.948 7.425) 10.839 3.739 ( -11.560 -6.674 -7.599) 15.360 4.661 ( -8.869 -5.121 -7.022) 12.417 4.927 ( -2.658 -1.535 -0.735) 3.157 5.819 ( 2.573 1.486 2.550) 3.915 5.903 ( 43.463 25.093 19.867) 53.976 6.288 ( 18.168 10.489 -1.108) 21.008 6.374 ( 8.227 4.750 9.145) 13.186 6.604 ( 4.448 2.568 1.983) 5.505 6.903 ( -3.133 -1.809 11.152) 11.724 8.077 ( 1.730 0.999 -5.418) 5.774 8.418 ( -10.032 -5.792 -12.923) 17.355 8.711 ( -11.373 -6.566 -6.918) 14.843 9.057 ( -12.740 -7.355 -4.478) 15.377 9.566 ( -1.381 -0.797 -2.281) 2.783 9.865 ( -1.305 -0.753 1.142) 1.890 10.263 ( 3.507 2.025 -0.749) 4.119 10.427 ( -7.498 -4.329 -1.059) 8.723 10.734 ( 2.302 1.329 4.968) 5.635 10.953 ( 2.074 1.197 6.218) 6.663 11.110 ( 2.914 1.682 2.680) 4.302 11.222 ( -1.655 -0.956 -3.924) 4.365 11.835 ( 16.002 9.239 -8.596) 20.379 12.440 ( -7.468 -4.311 19.623) 21.434 12.964 ( -1.510 -0.872 -5.114) 5.403 14.017 ( -0.285 -0.164 -2.926) 2.944 14.359 ( 3.899 2.251 3.829) 5.910 14.369 ( 1.496 0.864 1.522) 2.302 15.292 ( 0.359 0.207 1.085) 1.162 15.439 ( 13.612 7.859 9.310) 18.268 17.146 ( -8.498 -4.906 -7.188) 12.164 17.542 ( -1.698 -0.980 2.095) 2.869 17.887 ( -6.236 -3.601 -1.604) 7.377 18.561 ( -2.137 -1.234 -1.824) 3.069 18.906 ( -1.196 -0.690 1.359) 1.937 19.427 ( 7.382 4.262 6.879) 10.953 20.042 ( -5.754 -3.322 -11.486) 13.269 22.737 ( 0.509 0.294 0.138) 0.604 22.915 ( -2.318 -1.338 6.202) 6.755 ======================= Grid point 5 (6/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 -0.000) 0.000 3.417 ( -0.000 -0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 -0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 5.855 ( 0.000 0.000 0.000) 0.000 6.498 ( -0.000 -0.000 0.000) 0.000 6.546 ( 0.000 0.000 -0.000) 0.000 6.550 ( 0.000 0.000 -0.000) 0.000 6.798 ( -0.000 -0.000 -0.000) 0.000 6.872 ( -0.000 -0.000 0.000) 0.000 7.683 ( 0.000 0.000 0.000) 0.000 8.541 ( 0.000 0.000 -0.000) 0.000 8.568 ( 0.000 0.000 0.000) 0.000 8.776 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.854 ( 0.000 0.000 -0.000) 0.000 10.302 ( 0.000 0.000 0.000) 0.000 10.332 ( 0.000 0.000 0.000) 0.000 10.775 ( 0.000 0.000 -0.000) 0.000 11.003 ( 0.000 0.000 -0.000) 0.000 11.156 ( 0.000 0.000 -0.000) 0.000 11.190 ( 0.000 0.000 -0.000) 0.000 12.003 ( -0.000 -0.000 0.000) 0.000 12.415 ( 0.000 0.000 -0.000) 0.000 12.927 ( 0.000 0.000 0.000) 0.000 13.994 ( 0.000 0.000 0.000) 0.000 14.392 ( 0.000 0.000 0.000) 0.000 14.426 ( 0.000 0.000 0.000) 0.000 15.300 ( 0.000 0.000 -0.000) 0.000 15.658 ( 0.000 0.000 0.000) 0.000 16.986 ( 0.000 0.000 0.000) 0.000 17.547 ( 0.000 0.000 0.000) 0.000 17.798 ( 0.000 0.000 0.000) 0.000 18.529 ( 0.000 0.000 0.000) 0.000 18.897 ( 0.000 0.000 -0.000) 0.000 19.571 ( 0.000 0.000 -0.000) 0.000 19.902 ( 0.000 0.000 0.000) 0.000 22.744 ( 0.000 0.000 0.000) 0.000 22.910 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/116) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 34.263 27.712) 44.067 1.088 ( 0.000 39.452 20.581) 44.498 1.562 ( 0.000 48.923 42.331) 64.695 2.450 ( 0.000 12.544 0.056) 12.544 3.943 ( 0.000 0.997 1.726) 1.993 3.966 ( 0.000 1.018 8.555) 8.616 5.060 ( -0.000 4.614 -5.145) 6.911 5.108 ( -0.000 7.256 -4.500) 8.538 5.627 ( 0.000 -1.042 8.233) 8.299 5.863 ( -0.000 -7.010 -7.658) 10.382 6.092 ( 0.000 -12.486 11.616) 17.054 6.191 ( -0.000 8.196 -10.451) 13.281 6.278 ( 0.000 -1.705 4.097) 4.438 6.851 ( 0.000 26.616 -1.499) 26.658 9.573 ( -0.000 -6.337 -7.404) 9.746 9.608 ( 0.000 -12.617 17.060) 21.219 9.685 ( -0.000 -4.214 -11.325) 12.083 9.686 ( -0.000 0.998 -7.918) 7.981 9.900 ( 0.000 0.318 2.393) 2.414 10.127 ( 0.000 0.056 15.427) 15.427 10.370 ( -0.000 1.476 -1.902) 2.407 10.539 ( 0.000 14.309 -2.617) 14.546 10.548 ( 0.000 1.462 13.055) 13.136 10.900 ( 0.000 1.312 0.664) 1.470 11.006 ( -0.000 7.243 -13.737) 15.529 11.609 ( -0.000 -2.875 -11.989) 12.329 12.671 ( 0.000 -23.788 36.370) 43.459 13.287 ( 0.000 2.166 3.694) 4.282 13.922 ( 0.000 -2.085 5.853) 6.213 14.209 ( 0.000 2.802 6.078) 6.692 14.219 ( 0.000 4.743 5.557) 7.306 14.335 ( 0.000 -1.461 7.828) 7.963 15.243 ( 0.000 0.210 1.799) 1.811 16.877 ( -0.000 39.647 -59.392) 71.409 18.181 ( 0.000 -2.933 7.624) 8.169 18.537 ( 0.000 -15.675 23.556) 28.295 18.839 ( -0.000 -0.718 -5.592) 5.638 18.889 ( -0.000 1.583 -2.037) 2.580 18.924 ( 0.000 -3.557 2.378) 4.279 20.290 ( -0.000 16.572 -34.772) 38.519 22.689 ( 0.000 0.258 1.731) 1.750 23.229 ( 0.000 -27.780 37.016) 46.281 ======================= Grid point 13 (8/116) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -4.847 29.062 32.463) 43.840 1.662 ( 5.846 39.613 13.312) 42.197 2.639 ( 9.108 15.273 2.245) 17.924 2.831 ( 42.163 39.978 31.487) 66.086 3.918 ( -4.376 1.186 5.013) 6.760 4.081 ( 1.904 0.929 9.113) 9.356 5.085 ( 1.246 4.364 -7.834) 9.054 5.151 ( -0.357 5.548 -6.461) 8.524 5.657 ( -0.938 -1.460 5.107) 5.394 5.789 ( -1.992 5.721 4.099) 7.315 5.922 ( -7.894 -7.236 6.703) 12.633 6.235 ( 7.008 0.968 -0.612) 7.101 6.533 ( 17.165 -2.075 4.326) 17.822 7.143 ( 7.427 22.162 -3.432) 23.624 9.384 ( -4.266 -11.245 -12.288) 17.194 9.471 ( -6.241 -7.005 -14.547) 17.310 9.549 ( -5.745 -7.278 9.350) 13.168 9.674 ( -0.086 0.740 -4.142) 4.208 9.943 ( 1.671 1.011 1.754) 2.625 10.132 ( -7.264 5.549 5.953) 10.908 10.424 ( 4.016 1.237 7.624) 8.705 10.676 ( 3.984 4.772 2.593) 6.736 10.741 ( 5.338 7.654 1.062) 9.392 10.933 ( 1.298 1.936 1.080) 2.569 11.034 ( 2.901 3.829 1.069) 4.922 11.463 ( -2.197 -4.373 -12.808) 13.711 12.667 ( -2.566 -15.658 27.915) 32.110 13.271 ( -8.258 5.353 4.364) 10.765 13.817 ( -4.677 4.933 -3.349) 7.578 14.303 ( -0.915 7.920 5.132) 9.482 14.356 ( -1.569 -2.849 9.786) 10.313 14.520 ( 15.173 3.100 12.553) 19.935 15.266 ( 0.450 0.864 2.533) 2.713 16.982 ( 12.191 14.208 -33.543) 38.414 18.159 ( -6.360 -5.985 12.074) 14.902 18.377 ( -14.587 -6.081 9.738) 18.563 18.756 ( -2.772 -0.776 -5.249) 5.986 18.935 ( 2.343 -4.926 2.783) 6.124 18.958 ( 5.963 2.729 -0.867) 6.615 20.248 ( 4.223 3.070 -24.301) 24.855 22.706 ( 0.132 0.298 1.813) 1.842 23.139 ( -6.543 -14.039 22.022) 26.923 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 7.282 24.681 25.890) 36.503 2.225 ( 7.401 32.661 12.376) 35.702 2.903 ( 7.198 13.631 -2.634) 15.638 3.891 ( -4.613 1.487 6.126) 7.812 3.991 ( 8.850 9.165 10.544) 16.537 4.336 ( 33.083 24.425 25.952) 48.627 5.018 ( -5.818 0.458 -9.992) 11.572 5.066 ( -6.642 0.130 -4.311) 7.919 5.747 ( 5.976 6.242 1.298) 8.738 5.784 ( -0.498 1.870 3.637) 4.120 6.048 ( 8.892 5.640 14.108) 17.605 6.388 ( 8.585 2.072 0.085) 8.832 6.801 ( 11.152 -3.754 9.788) 15.306 7.495 ( 15.342 16.899 -6.656) 23.775 9.026 ( -12.331 -14.651 -14.812) 24.210 9.140 ( -10.861 -8.738 -14.252) 19.936 9.397 ( -7.904 -7.555 0.204) 10.936 9.631 ( -2.088 0.172 -3.275) 3.888 9.964 ( -2.707 -0.197 4.557) 5.304 10.156 ( 0.306 7.930 -0.454) 7.949 10.543 ( 3.821 -5.144 1.891) 6.681 10.722 ( -2.133 1.516 3.178) 4.117 10.885 ( 3.015 3.052 8.540) 9.557 10.999 ( 2.634 2.430 2.527) 4.385 11.208 ( 7.024 1.236 -2.048) 7.420 11.358 ( 2.663 8.333 -7.719) 11.666 12.644 ( -3.353 -13.830 22.182) 26.355 13.187 ( -11.693 7.319 3.992) 14.361 13.863 ( 5.787 5.364 -4.987) 9.334 14.351 ( -2.717 -3.348 9.307) 10.257 14.400 ( -2.230 9.442 5.407) 11.107 14.912 ( 14.992 4.502 13.099) 20.411 15.315 ( 0.651 3.978 3.276) 5.194 17.071 ( 9.511 4.224 -21.214) 23.629 17.974 ( -17.421 -8.707 14.685) 24.392 18.147 ( -9.413 -3.720 -0.028) 10.122 18.663 ( -3.333 -0.672 -4.179) 5.388 18.928 ( 0.637 -4.576 1.949) 5.015 19.132 ( 9.240 3.617 3.110) 10.399 20.142 ( 0.605 -2.498 -18.650) 18.826 22.722 ( 0.192 0.377 0.902) 0.997 23.054 ( -5.097 -8.191 13.753) 16.799 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 6.507 24.192 16.574) 30.038 2.707 ( 7.272 20.096 14.681) 25.928 3.126 ( 6.968 13.235 -4.108) 15.511 3.826 ( -8.783 -2.373 2.505) 9.436 3.946 ( -12.099 1.856 9.660) 15.593 4.780 ( -11.894 0.855 -6.902) 13.778 4.944 ( -3.429 -2.060 -1.270) 4.197 5.557 ( 43.030 27.803 22.235) 55.848 5.809 ( 2.344 2.561 -0.368) 3.491 6.056 ( 15.285 7.133 1.975) 16.983 6.345 ( 9.206 3.165 7.300) 12.167 6.562 ( 6.739 4.635 3.316) 8.826 6.959 ( 3.140 -4.337 11.682) 12.851 7.895 ( 18.344 10.831 -5.323) 21.958 8.473 ( -19.597 -17.118 -16.566) 30.847 8.773 ( -10.489 -7.163 -12.602) 17.892 9.137 ( -10.355 -9.081 -5.072) 14.677 9.576 ( -2.067 0.043 -1.929) 2.828 9.929 ( -4.255 0.099 3.962) 5.815 10.254 ( 2.107 7.609 -1.795) 8.097 10.435 ( -2.978 -10.421 -2.157) 11.051 10.766 ( 0.242 0.339 5.811) 5.825 11.000 ( 1.029 2.696 4.741) 5.549 11.094 ( 3.294 1.202 3.108) 4.685 11.217 ( -0.653 2.301 -1.025) 2.603 11.604 ( 13.358 10.317 -7.266) 18.376 12.590 ( -3.502 -12.806 17.755) 22.170 13.089 ( -10.949 7.506 3.559) 13.743 13.971 ( 3.869 2.296 -3.610) 5.768 14.351 ( 0.045 -1.723 6.353) 6.583 14.482 ( -3.438 9.803 4.680) 11.394 15.206 ( 7.331 -2.444 5.814) 9.671 15.482 ( 5.879 13.837 8.454) 17.248 17.086 ( 3.283 0.153 -15.011) 15.367 17.675 ( -14.658 -7.313 8.605) 18.503 17.969 ( -7.620 -4.513 2.090) 9.099 18.581 ( -2.753 -0.152 -2.841) 3.959 18.900 ( 0.132 -3.934 0.797) 4.016 19.365 ( 9.633 3.192 6.135) 11.858 19.980 ( -1.842 -3.997 -14.720) 15.363 22.731 ( 0.303 0.546 -0.701) 0.938 22.986 ( -3.766 -5.669 8.360) 10.780 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -7.219 20.288 3.323) 21.789 3.050 ( 3.553 2.692 15.237) 15.876 3.368 ( 7.825 13.168 -2.713) 15.556 3.612 ( -10.700 1.553 4.929) 11.883 3.823 ( -15.572 3.413 9.965) 18.800 4.602 ( -6.280 4.672 -2.083) 8.099 4.890 ( -0.742 -1.692 1.070) 2.135 5.847 ( 0.823 2.232 -3.106) 3.912 6.340 ( 11.993 -0.122 -0.338) 11.998 6.415 ( 10.366 -0.604 1.171) 10.449 6.581 ( 12.857 12.216 2.357) 17.891 6.740 ( 7.115 0.442 5.402) 8.944 6.977 ( -6.167 -1.053 8.232) 10.340 7.736 ( -16.446 -12.327 -9.838) 22.786 8.361 ( 15.247 0.666 -2.051) 15.399 8.566 ( 2.431 3.158 -6.706) 7.801 8.833 ( -10.637 -7.993 -2.617) 13.560 9.545 ( -0.407 -0.185 -0.279) 0.527 9.886 ( -2.816 0.968 0.466) 3.014 10.305 ( -0.267 -7.420 1.713) 7.620 10.331 ( -0.155 5.922 -1.480) 6.106 10.784 ( -0.406 -1.343 0.997) 1.721 11.037 ( -1.256 1.588 1.213) 2.360 11.155 ( 0.725 0.085 1.229) 1.429 11.221 ( -3.058 4.617 -0.207) 5.542 11.840 ( 12.302 3.220 -8.624) 15.365 12.500 ( -6.311 -11.077 12.186) 17.636 13.027 ( -7.066 7.069 4.032) 10.778 13.991 ( 0.305 0.448 -1.020) 1.155 14.382 ( 0.658 -1.556 1.916) 2.554 14.535 ( -4.843 9.126 3.442) 10.890 15.261 ( 1.872 -3.429 1.138) 4.069 15.752 ( -0.420 11.243 5.370) 12.466 16.985 ( -2.133 0.337 -8.126) 8.408 17.524 ( -1.128 -5.117 3.523) 6.314 17.848 ( -4.412 -2.266 4.780) 6.888 18.537 ( -0.868 0.865 -1.148) 1.679 18.872 ( 0.755 -3.216 -0.610) 3.360 19.548 ( 3.097 -0.883 2.240) 3.923 19.856 ( 2.412 -0.904 -5.639) 6.199 22.734 ( 0.478 0.791 -2.318) 2.495 22.926 ( -2.566 -4.203 3.853) 6.253 ======================= Grid point 17 (12/116) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -17.943 -1.964 -4.936) 18.713 2.972 ( -19.100 7.507 5.989) 21.379 3.501 ( -12.790 1.246 10.007) 16.287 3.652 ( -1.735 8.659 -3.460) 9.485 3.757 ( 3.943 9.421 14.332) 17.599 4.661 ( 4.431 8.221 3.333) 9.916 4.898 ( 1.736 -0.313 1.843) 2.551 5.825 ( -1.935 1.292 -5.253) 5.745 6.246 ( -33.244 -20.488 -14.696) 41.724 6.292 ( -5.291 -12.624 -3.007) 14.015 6.521 ( -7.846 -3.666 -1.469) 8.784 6.689 ( -10.435 0.001 -1.443) 10.534 6.772 ( 0.988 -2.099 -10.815) 11.061 7.969 ( 23.088 10.611 10.014) 27.312 8.406 ( 0.118 -8.531 2.386) 8.859 8.673 ( 2.498 6.509 3.370) 7.744 8.886 ( 17.435 4.411 2.720) 18.188 9.560 ( 1.941 0.060 1.062) 2.213 9.872 ( -0.474 1.996 -0.224) 2.064 10.323 ( 6.153 -2.579 3.302) 7.444 10.340 ( -3.721 4.010 -0.817) 5.531 10.736 ( -2.321 -2.008 -3.558) 4.699 10.998 ( -5.749 2.817 -2.547) 6.890 11.126 ( -2.598 -1.467 -1.488) 3.334 11.222 ( 0.500 1.616 0.276) 1.714 11.949 ( 2.718 -3.261 -1.043) 4.372 12.311 ( -7.200 -7.248 -2.598) 10.541 13.052 ( -2.451 6.763 5.903) 9.305 14.011 ( 1.628 0.370 0.913) 1.903 14.342 ( -2.443 -3.692 -1.844) 4.796 14.531 ( -8.256 8.149 3.019) 11.987 15.234 ( -0.081 -5.682 -1.436) 5.862 15.655 ( -17.278 2.582 -3.506) 17.818 17.056 ( 9.510 7.745 -2.336) 12.485 17.511 ( 1.720 -5.330 3.091) 6.397 17.867 ( 2.311 2.019 6.306) 7.014 18.556 ( 1.471 2.134 0.640) 2.670 18.857 ( 1.956 -2.611 -2.042) 3.849 19.448 ( -5.694 -4.857 -6.130) 9.675 20.005 ( 9.278 2.511 6.883) 11.822 22.732 ( 0.444 0.978 -3.107) 3.287 22.869 ( -1.146 -3.087 -0.645) 3.356 ======================= Grid point 18 (13/116) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -24.029 -13.138 -7.265) 28.333 2.696 ( -33.354 15.135 7.350) 37.358 3.244 ( -17.587 -2.179 6.193) 18.773 3.740 ( 2.457 5.814 -2.104) 6.653 3.987 ( 2.022 4.719 9.633) 10.916 4.880 ( 4.981 1.706 1.003) 5.359 4.986 ( 5.346 3.273 3.335) 7.101 5.122 ( -47.405 -20.005 -17.179) 54.245 5.755 ( -3.607 2.331 -5.384) 6.887 5.974 ( -11.753 -13.307 -2.615) 17.945 6.264 ( -18.354 -1.929 -1.015) 18.483 6.502 ( -4.771 -5.233 -4.581) 8.434 6.730 ( 1.747 -2.321 -10.113) 10.522 7.987 ( -15.851 -7.234 2.130) 17.554 8.749 ( 24.782 5.673 9.208) 27.039 8.963 ( 14.518 9.168 5.837) 18.136 9.196 ( 12.305 2.319 1.633) 12.628 9.621 ( 3.181 0.559 2.233) 3.927 9.899 ( 0.260 1.600 2.097) 2.651 10.262 ( -7.456 1.466 -1.372) 7.721 10.495 ( 10.190 -0.167 3.125) 10.660 10.630 ( -2.805 0.020 -5.980) 6.606 10.868 ( -7.346 0.773 -6.330) 9.728 11.044 ( -3.733 -0.969 -1.539) 4.152 11.284 ( 4.282 -0.702 3.143) 5.358 11.764 ( -18.731 -7.461 7.835) 21.631 12.203 ( 6.606 -0.824 -16.542) 17.832 13.133 ( -0.769 5.846 6.086) 8.474 14.039 ( -0.443 -2.776 3.032) 4.135 14.226 ( -2.319 -2.717 -5.062) 6.196 14.467 ( -10.654 8.089 3.222) 13.759 15.060 ( -9.349 -11.419 -7.403) 16.511 15.368 ( -11.390 3.241 -2.777) 12.163 17.326 ( 11.665 6.216 1.354) 13.287 17.525 ( 3.109 -1.731 1.153) 3.740 18.019 ( 5.899 3.842 5.969) 9.229 18.633 ( 3.105 3.065 2.221) 4.896 18.858 ( 3.059 -2.403 -3.270) 5.082 19.250 ( -6.847 -4.394 -4.931) 9.513 20.244 ( 9.122 1.930 9.116) 13.040 22.725 ( -0.269 0.829 -2.231) 2.395 22.819 ( 0.713 -1.985 -5.448) 5.842 ======================= Grid point 19 (14/116) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -27.149 -12.457 -5.842) 30.436 2.233 ( -42.597 13.362 7.702) 45.303 2.954 ( -16.929 -3.357 1.642) 17.336 3.736 ( -57.190 -19.090 -12.767) 61.629 3.817 ( -0.088 2.661 -0.559) 2.721 4.057 ( -4.426 -0.726 -1.930) 4.883 5.121 ( 8.680 2.670 1.822) 9.262 5.174 ( 5.089 1.646 4.613) 7.063 5.630 ( -6.476 -3.501 -4.995) 8.897 5.772 ( -2.627 4.262 1.684) 5.282 5.925 ( -15.999 -1.513 -0.781) 16.089 6.341 ( -2.882 -7.553 -4.395) 9.202 6.633 ( -3.740 -2.105 -6.299) 7.622 7.616 ( -21.289 -4.919 3.006) 22.056 9.182 ( 15.949 1.946 1.137) 16.107 9.326 ( 11.093 6.924 1.890) 13.213 9.418 ( 14.095 0.283 4.429) 14.778 9.696 ( 2.923 0.311 2.412) 3.802 9.920 ( -1.238 0.596 2.145) 2.547 10.106 ( -8.611 0.044 -4.581) 9.754 10.474 ( -4.798 -1.002 -0.223) 4.906 10.684 ( -6.193 -1.496 -5.587) 8.474 10.793 ( 10.912 2.697 1.311) 11.316 10.971 ( -3.147 -0.383 -0.542) 3.217 11.239 ( -15.388 -4.823 0.873) 16.150 11.544 ( 0.455 0.339 6.758) 6.782 12.210 ( 6.060 -0.362 -13.629) 14.920 13.207 ( -0.337 3.620 3.816) 5.271 13.949 ( -5.707 -4.162 2.869) 7.624 14.204 ( 2.869 0.440 -3.528) 4.568 14.383 ( -10.964 7.919 3.740) 14.032 14.673 ( -13.219 -10.484 -9.680) 19.451 15.272 ( -3.182 0.998 -0.850) 3.441 17.526 ( 2.992 -6.388 21.605) 22.728 17.637 ( 11.601 9.570 -18.181) 23.594 18.183 ( 4.568 2.945 3.238) 6.326 18.742 ( 3.433 3.288 3.455) 5.877 18.865 ( 3.507 -2.746 -4.065) 6.030 19.077 ( -6.101 -2.605 -2.294) 7.019 20.468 ( 8.051 0.993 8.477) 11.734 22.708 ( -1.205 0.299 -0.302) 1.278 22.780 ( 2.048 -0.866 -8.560) 8.844 ======================= Grid point 20 (15/116) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -28.552 0.000 0.000) 28.552 1.596 ( -45.249 0.000 0.000) 45.249 2.410 ( -64.310 0.000 0.000) 64.310 2.676 ( -20.819 0.000 0.000) 20.819 3.865 ( 1.632 -0.000 -0.000) 1.632 3.986 ( -2.967 0.000 0.000) 2.967 5.173 ( -4.872 0.000 0.000) 4.872 5.221 ( -2.712 0.000 0.000) 2.712 5.555 ( 0.605 -0.000 -0.000) 0.605 5.790 ( 4.342 -0.000 -0.000) 4.342 5.853 ( 5.238 -0.000 -0.000) 5.238 6.232 ( -2.036 0.000 0.000) 2.036 6.491 ( -8.096 0.000 0.000) 8.096 7.219 ( -23.569 0.000 0.000) 23.569 9.348 ( 5.041 -0.000 -0.000) 5.041 9.531 ( 8.526 -0.000 -0.000) 8.526 9.704 ( 13.692 -0.000 -0.000) 13.692 9.759 ( 3.470 -0.000 -0.000) 3.470 9.893 ( -3.055 0.000 0.000) 3.055 9.943 ( -6.768 0.000 0.000) 6.768 10.416 ( -2.670 0.000 0.000) 2.670 10.528 ( -6.407 0.000 0.000) 6.407 10.812 ( -17.792 0.000 0.000) 17.792 10.921 ( -2.201 0.000 0.000) 2.201 11.062 ( 6.847 -0.000 -0.000) 6.847 11.678 ( 7.476 -0.000 -0.000) 7.476 12.226 ( 3.063 -0.000 -0.000) 3.063 13.237 ( -0.020 0.000 0.000) 0.020 13.866 ( -3.005 0.000 0.000) 3.005 14.239 ( 1.900 -0.000 -0.000) 1.900 14.293 ( -9.495 0.000 0.000) 9.495 14.346 ( -9.148 0.000 0.000) 9.148 15.240 ( -1.031 0.000 0.000) 1.031 17.646 ( 2.584 -0.000 -0.000) 2.584 17.797 ( 11.131 -0.000 -0.000) 11.131 18.253 ( 0.525 -0.000 -0.000) 0.525 18.842 ( 2.465 -0.000 -0.000) 2.465 18.874 ( 3.001 -0.000 -0.000) 3.001 18.969 ( -4.019 0.000 0.000) 4.019 20.638 ( 6.603 -0.000 -0.000) 6.603 22.689 ( -1.016 0.000 0.000) 1.016 22.764 ( 1.239 -0.000 -0.000) 1.239 ======================= Grid point 23 (16/116) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.000 29.248 24.724) 38.298 2.089 ( 0.000 33.825 18.699) 38.649 2.781 ( 0.000 19.545 1.265) 19.586 3.070 ( 0.000 47.461 37.782) 60.664 4.011 ( 0.000 1.959 4.279) 4.706 4.158 ( 0.000 2.543 13.483) 13.721 5.094 ( -0.000 8.237 -8.515) 11.847 5.182 ( -0.000 7.232 -4.880) 8.724 5.707 ( 0.000 2.006 5.818) 6.154 5.905 ( 0.000 6.636 9.556) 11.634 5.991 ( 0.000 -12.944 10.995) 16.983 6.195 ( -0.000 5.480 -8.778) 10.348 6.303 ( 0.000 -0.852 3.135) 3.249 7.281 ( 0.000 18.118 -1.677) 18.195 9.209 ( -0.000 -12.237 -14.141) 18.700 9.332 ( -0.000 -10.507 -16.087) 19.214 9.565 ( -0.000 -9.507 3.440) 10.110 9.672 ( -0.000 2.234 -2.700) 3.504 9.956 ( 0.000 4.370 -1.061) 4.497 10.332 ( 0.000 3.875 4.979) 6.309 10.377 ( 0.000 -1.150 2.053) 2.353 10.751 ( 0.000 1.491 11.291) 11.389 10.760 ( 0.000 8.602 0.740) 8.634 10.948 ( 0.000 2.119 1.294) 2.483 11.063 ( 0.000 2.800 0.906) 2.943 11.376 ( -0.000 1.770 -8.739) 8.916 12.709 ( 0.000 -13.614 22.666) 26.440 13.411 ( 0.000 3.418 5.550) 6.519 13.968 ( 0.000 2.676 -0.288) 2.692 14.407 ( 0.000 5.415 10.580) 11.885 14.414 ( 0.000 -2.369 9.111) 9.414 14.512 ( 0.000 11.889 12.851) 17.507 15.284 ( 0.000 0.386 3.276) 3.299 16.826 ( -0.000 13.239 -24.207) 27.591 18.239 ( 0.000 -4.942 11.572) 12.583 18.559 ( 0.000 -7.100 12.448) 14.330 18.719 ( -0.000 -2.119 -7.322) 7.622 18.864 ( -0.000 -5.322 1.596) 5.556 18.899 ( -0.000 3.643 -3.727) 5.212 20.077 ( -0.000 1.396 -21.687) 21.732 22.720 ( 0.000 0.056 1.907) 1.908 23.173 ( 0.000 -15.048 16.600) 22.405 ======================= Grid point 24 (17/116) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -4.961 23.722 30.381) 38.863 2.559 ( 2.531 34.271 9.050) 35.536 2.989 ( 0.392 19.322 2.208) 19.451 3.973 ( 9.696 19.652 10.416) 24.264 4.079 ( 5.615 13.752 20.315) 25.167 4.333 ( 10.357 12.255 19.742) 25.440 5.060 ( -5.739 5.319 -10.009) 12.705 5.194 ( -5.037 6.818 -1.739) 8.653 5.792 ( 0.648 7.995 3.463) 8.736 5.859 ( -6.120 -3.588 3.975) 8.131 6.058 ( 3.734 2.745 10.753) 11.709 6.267 ( 8.787 4.166 1.700) 9.872 6.539 ( 18.131 -3.314 5.461) 19.223 7.456 ( 4.687 14.108 -4.460) 15.520 8.934 ( -5.975 -14.348 -14.810) 21.468 9.064 ( -4.804 -11.272 -17.188) 21.108 9.415 ( -5.067 -10.432 -4.449) 12.421 9.658 ( -1.928 1.577 -2.382) 3.446 10.009 ( 1.010 4.416 -0.176) 4.533 10.287 ( -5.240 4.685 2.372) 7.419 10.439 ( 1.970 -5.178 -0.113) 5.541 10.778 ( -1.057 -4.259 3.359) 5.526 10.893 ( 4.504 1.101 8.248) 9.462 10.992 ( 1.599 1.440 0.066) 2.153 11.109 ( 4.409 3.279 1.191) 5.622 11.437 ( -0.613 16.127 -1.322) 16.192 12.697 ( -3.148 -12.387 18.397) 22.401 13.472 ( -3.760 3.890 9.668) 11.079 13.884 ( -6.616 6.305 -3.742) 9.876 14.416 ( -2.142 -4.993 9.281) 10.754 14.591 ( 0.130 10.772 7.473) 13.111 14.829 ( 10.184 9.983 15.114) 20.780 15.341 ( 3.044 2.582 3.971) 5.630 16.844 ( 6.349 5.347 -16.417) 18.396 18.203 ( -7.140 -6.364 11.822) 15.207 18.357 ( -17.329 -5.164 3.642) 18.445 18.678 ( -1.567 -0.656 -3.502) 3.893 18.846 ( 3.308 -6.344 0.967) 7.219 19.014 ( 9.272 3.410 0.088) 9.879 19.956 ( 2.320 -2.807 -18.954) 19.301 22.730 ( -0.092 -0.129 1.076) 1.088 23.113 ( -2.661 -11.008 11.797) 16.353 ======================= Grid point 25 (18/116) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 1.577 20.156 30.171) 36.319 2.956 ( 0.902 29.935 2.874) 30.086 3.186 ( 0.544 16.313 1.509) 16.392 3.994 ( -7.451 2.867 4.849) 9.341 4.244 ( -7.781 4.025 15.151) 17.502 4.884 ( -7.867 0.486 -10.486) 13.118 5.101 ( -9.996 7.846 3.238) 13.114 5.317 ( 34.573 28.628 22.715) 50.307 5.809 ( -0.287 1.989 1.722) 2.647 5.966 ( 6.492 9.169 0.567) 11.249 6.223 ( 8.993 -1.595 3.420) 9.753 6.511 ( 8.542 5.191 4.791) 11.084 6.847 ( 14.103 -5.401 13.799) 20.457 7.683 ( 12.861 10.795 -6.719) 18.086 8.496 ( -15.358 -16.889 -15.392) 27.532 8.739 ( -6.754 -9.137 -16.833) 20.309 9.157 ( -7.408 -9.441 -7.978) 14.411 9.610 ( -3.025 0.059 -1.077) 3.212 10.037 ( -3.650 1.361 3.079) 4.966 10.290 ( 0.397 0.452 -5.644) 5.676 10.343 ( -1.319 -4.964 0.806) 5.199 10.749 ( 2.532 -6.077 1.494) 6.751 11.021 ( 1.517 3.049 2.522) 4.238 11.048 ( 4.905 0.072 2.871) 5.684 11.270 ( 3.575 5.206 7.930) 10.138 11.580 ( -0.957 16.908 -4.499) 17.522 12.624 ( -3.735 -11.885 14.415) 19.052 13.444 ( -13.214 5.417 11.928) 18.607 13.901 ( 3.977 5.243 -5.426) 8.529 14.383 ( -1.780 -4.697 6.619) 8.310 14.713 ( -4.620 12.403 6.394) 14.699 15.125 ( 6.052 1.225 8.696) 10.666 15.553 ( 8.613 13.030 8.055) 17.574 16.895 ( 7.059 0.393 -11.811) 13.765 17.969 ( -20.581 -7.426 6.757) 22.900 18.089 ( -8.898 -4.282 4.631) 10.907 18.609 ( -2.848 -0.059 -2.794) 3.990 18.836 ( 2.014 -5.915 0.063) 6.249 19.245 ( 11.650 2.632 4.191) 12.658 19.832 ( 1.571 -4.474 -15.931) 16.622 22.728 ( -0.159 -0.117 -0.489) 0.527 23.037 ( -3.232 -7.705 7.955) 11.537 ======================= Grid point 26 (19/116) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -6.635 10.601 1.374) 12.582 3.251 ( -2.818 21.978 22.981) 31.923 3.388 ( 5.602 15.219 -0.751) 16.234 3.896 ( -11.725 5.444 8.999) 15.751 4.212 ( -13.108 4.714 14.680) 20.238 4.711 ( -4.786 1.276 -8.463) 9.806 4.988 ( -10.087 5.119 2.996) 11.701 5.845 ( 0.717 3.625 -0.716) 3.764 6.164 ( 14.371 5.925 -0.407) 15.549 6.191 ( 13.870 2.174 3.655) 14.508 6.458 ( 16.563 11.743 4.544) 20.805 6.653 ( 5.190 -3.442 3.249) 7.024 7.078 ( 4.325 -0.355 14.829) 15.451 7.842 ( -18.665 -13.362 -11.780) 25.801 8.061 ( 16.164 0.890 -4.942) 16.926 8.475 ( -1.347 -4.402 -14.040) 14.775 8.913 ( -7.615 -3.396 -4.129) 9.304 9.544 ( -2.054 -3.658 -0.012) 4.195 9.950 ( -4.249 -1.457 -2.751) 5.268 10.220 ( 1.848 -8.220 2.414) 8.764 10.391 ( 0.274 8.511 -2.611) 8.907 10.743 ( 1.981 -5.747 1.013) 6.163 11.071 ( 0.438 2.568 1.345) 2.932 11.146 ( 2.418 0.337 2.697) 3.638 11.388 ( -3.666 6.864 5.003) 9.251 11.661 ( 2.975 7.337 -8.538) 11.643 12.547 ( -3.395 -10.504 11.756) 16.127 13.335 ( -13.742 6.639 8.919) 17.677 13.968 ( 2.355 1.725 -2.782) 4.033 14.367 ( 0.244 -2.926 2.696) 3.986 14.775 ( -6.358 11.540 5.175) 14.156 15.211 ( 1.649 -2.570 2.863) 4.186 15.903 ( 4.911 15.924 7.665) 18.342 16.913 ( 3.678 -0.733 -9.308) 10.035 17.612 ( -14.203 -7.191 3.788) 16.364 17.956 ( -6.620 -3.009 6.857) 9.995 18.557 ( -1.499 0.661 -1.425) 2.171 18.803 ( 1.415 -5.263 -1.505) 5.654 19.474 ( 7.390 -0.618 3.994) 8.423 19.732 ( 3.806 -1.964 -10.062) 10.935 22.717 ( 0.033 0.110 -2.212) 2.215 22.960 ( -3.335 -5.394 4.787) 7.946 ======================= Grid point 27 (20/116) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( -19.713 -1.205 -3.229) 20.012 3.414 ( -10.697 14.032 10.994) 20.789 3.630 ( 3.037 13.475 -0.258) 13.815 3.936 ( -4.840 10.052 15.562) 19.148 4.057 ( -20.047 3.695 13.614) 24.513 4.667 ( 2.124 4.785 -4.848) 7.135 4.916 ( -3.253 0.876 0.745) 3.451 5.860 ( -2.302 3.680 -1.132) 4.486 6.210 ( -0.637 -6.689 -5.047) 8.403 6.341 ( -0.816 -8.189 0.723) 8.261 6.507 ( 1.097 -4.419 -9.416) 10.459 6.798 ( -10.803 -0.061 -5.159) 11.972 6.922 ( -21.116 -6.584 -0.198) 22.119 7.720 ( 22.767 6.699 9.686) 25.633 8.253 ( 7.034 -6.055 -3.590) 9.951 8.588 ( 20.929 2.062 -1.862) 21.113 8.793 ( -6.247 5.159 1.958) 8.335 9.493 ( 2.983 -5.433 -1.044) 6.285 9.893 ( -0.068 1.541 -2.611) 3.032 10.229 ( 3.543 -4.384 5.236) 7.694 10.439 ( -2.101 7.118 -2.627) 7.872 10.706 ( -0.141 -5.007 -1.188) 5.147 11.107 ( -1.116 2.656 2.559) 3.853 11.155 ( -2.327 -0.622 0.067) 2.410 11.319 ( -10.774 5.488 -2.601) 12.368 11.764 ( 10.171 -0.248 -5.033) 11.351 12.414 ( -9.456 -8.779 6.162) 14.298 13.261 ( -8.506 6.992 6.534) 12.804 13.992 ( 1.216 0.491 -0.568) 1.430 14.336 ( -1.834 -3.216 -0.862) 3.801 14.798 ( -7.683 10.524 4.664) 13.840 15.186 ( -1.280 -4.913 -0.616) 5.114 15.983 ( -14.772 7.115 0.933) 16.423 16.954 ( 7.503 5.292 -5.320) 10.611 17.445 ( -0.810 -6.956 3.510) 7.834 17.920 ( -1.323 0.240 7.250) 7.374 18.560 ( 0.833 1.925 0.363) 2.129 18.767 ( 2.077 -4.654 -2.988) 5.907 19.447 ( -3.624 -4.091 -4.334) 6.976 19.874 ( 11.930 1.694 2.490) 12.304 22.705 ( 0.511 0.426 -3.328) 3.394 22.883 ( -3.276 -3.608 2.211) 5.352 ======================= Grid point 28 (21/116) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -26.736 -4.313 -2.888) 27.235 3.369 ( -17.518 13.864 6.366) 23.229 3.660 ( -28.761 -0.742 4.474) 29.116 3.747 ( 1.401 5.059 -0.234) 5.254 4.128 ( -2.758 5.648 12.360) 13.867 4.779 ( 7.226 2.787 -1.799) 7.951 4.926 ( 5.262 0.234 -1.417) 5.455 5.649 ( -41.216 -13.398 -9.022) 44.268 5.860 ( -6.812 4.592 -0.496) 8.230 6.051 ( -11.098 -7.272 -0.430) 13.275 6.412 ( -7.053 -4.410 -4.230) 9.332 6.593 ( 5.183 -1.307 -4.944) 7.281 6.648 ( -16.562 -1.594 -1.117) 16.676 8.128 ( -2.679 -0.061 0.325) 2.699 8.397 ( 25.209 0.193 4.968) 25.695 8.862 ( 7.607 5.079 4.189) 10.060 8.960 ( 17.998 1.321 -0.429) 18.052 9.539 ( 6.497 -1.826 -0.440) 6.763 9.917 ( 0.953 1.564 0.488) 1.896 10.339 ( 8.963 -1.439 4.214) 10.008 10.406 ( -6.576 3.806 -2.211) 7.913 10.632 ( -2.038 -2.253 -2.837) 4.156 11.016 ( -11.071 0.839 -2.112) 11.301 11.115 ( -5.134 1.946 0.615) 5.525 11.223 ( 1.755 -1.235 -0.623) 2.235 11.903 ( 7.577 -0.258 -0.064) 7.582 12.137 ( -15.339 -5.235 -1.703) 16.297 13.259 ( -3.594 4.597 3.972) 7.059 14.020 ( 1.639 -0.266 0.454) 1.721 14.234 ( -4.502 -2.762 -2.186) 5.716 14.781 ( -10.066 10.062 5.171) 15.143 15.048 ( -5.879 -8.692 -4.191) 11.299 15.666 ( -21.476 1.669 -1.604) 21.601 17.173 ( 12.025 6.477 -3.172) 14.022 17.444 ( 4.020 -4.966 3.205) 7.148 18.004 ( 4.043 1.997 5.022) 6.749 18.627 ( 2.863 3.215 2.120) 4.799 18.745 ( 3.127 -4.159 -3.737) 6.406 19.300 ( -6.146 -2.540 -2.822) 7.225 20.118 ( 11.939 0.964 3.378) 12.445 22.701 ( 1.030 0.589 -2.991) 3.218 22.809 ( -3.044 -2.004 0.458) 3.673 ======================= Grid point 29 (22/116) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -29.404 0.000 0.000) 29.404 3.047 ( -38.934 0.000 0.000) 38.934 3.222 ( -15.742 0.000 0.000) 15.742 3.799 ( 1.992 -0.000 -0.000) 1.992 4.118 ( -5.166 0.000 0.000) 5.166 4.608 ( -52.183 0.000 0.000) 52.183 4.982 ( 5.123 -0.000 -0.000) 5.123 5.069 ( 9.219 -0.000 -0.000) 9.219 5.757 ( -10.829 0.000 0.000) 10.829 5.863 ( -4.925 0.000 0.000) 4.925 6.233 ( -15.418 0.000 0.000) 15.418 6.344 ( -9.069 0.000 0.000) 9.069 6.634 ( 0.777 -0.000 -0.000) 0.777 7.926 ( -16.245 0.000 0.000) 16.245 8.861 ( 23.369 -0.000 -0.000) 23.369 9.136 ( 16.969 -0.000 -0.000) 16.969 9.208 ( 11.027 -0.000 -0.000) 11.027 9.636 ( 5.135 -0.000 -0.000) 5.135 9.941 ( 0.315 -0.000 -0.000) 0.315 10.261 ( -10.272 0.000 0.000) 10.272 10.515 ( 3.502 -0.000 -0.000) 3.502 10.603 ( 6.703 -0.000 -0.000) 6.703 10.815 ( -10.616 0.000 0.000) 10.616 11.034 ( -4.580 0.000 0.000) 4.580 11.288 ( 4.370 -0.000 -0.000) 4.370 11.764 ( -20.055 0.000 0.000) 20.055 12.053 ( 7.410 -0.000 -0.000) 7.410 13.256 ( -1.453 0.000 0.000) 1.453 14.017 ( -3.006 0.000 0.000) 3.006 14.159 ( -0.065 0.000 0.000) 0.065 14.714 ( -10.995 0.000 0.000) 10.995 14.759 ( -14.438 0.000 0.000) 14.438 15.385 ( -10.782 0.000 0.000) 10.782 17.400 ( 11.862 -0.000 -0.000) 11.862 17.513 ( 4.946 -0.000 -0.000) 4.946 18.124 ( 5.687 -0.000 -0.000) 5.687 18.737 ( 3.348 -0.000 -0.000) 3.348 18.743 ( 4.086 -0.000 -0.000) 4.086 19.164 ( -6.706 0.000 0.000) 6.706 20.333 ( 10.857 -0.000 -0.000) 10.857 22.714 ( 1.449 -0.000 -0.000) 1.449 22.750 ( -2.610 0.000 0.000) 2.610 ======================= Grid point 34 (23/116) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 0.000 17.072 13.082) 21.508 2.889 ( 0.000 23.573 13.288) 27.060 3.279 ( 0.000 23.525 9.852) 25.505 4.113 ( 0.000 8.562 3.940) 9.425 4.405 ( 0.000 4.953 10.723) 11.812 4.476 ( 0.000 38.588 34.075) 51.479 5.134 ( -0.000 6.182 -7.703) 9.876 5.330 ( 0.000 11.881 0.749) 11.905 5.885 ( 0.000 7.819 2.304) 8.152 5.908 ( 0.000 -10.311 10.713) 14.869 6.174 ( -0.000 4.439 -7.483) 8.700 6.182 ( 0.000 6.474 3.490) 7.355 6.383 ( 0.000 -0.921 17.636) 17.660 7.501 ( -0.000 9.035 -5.579) 10.619 8.748 ( -0.000 -14.124 -13.958) 19.857 8.865 ( -0.000 -11.589 -18.302) 21.663 9.293 ( -0.000 -11.658 -10.357) 15.595 9.679 ( -0.000 1.863 -2.323) 2.978 10.041 ( 0.000 6.644 -2.510) 7.103 10.371 ( 0.000 -3.903 4.071) 5.640 10.389 ( -0.000 -5.370 0.793) 5.428 10.668 ( -0.000 -10.552 -6.530) 12.409 10.901 ( 0.000 1.000 6.827) 6.900 11.014 ( 0.000 1.984 2.160) 2.933 11.177 ( 0.000 8.392 8.883) 12.220 11.633 ( 0.000 20.924 0.875) 20.942 12.742 ( 0.000 -11.206 17.220) 20.545 13.553 ( 0.000 3.269 4.958) 5.938 14.015 ( 0.000 2.903 -0.847) 3.024 14.445 ( 0.000 -5.488 6.532) 8.532 14.692 ( 0.000 7.083 12.022) 13.953 15.051 ( 0.000 22.050 14.943) 26.637 15.337 ( 0.000 -0.019 3.355) 3.355 16.738 ( -0.000 2.324 -11.018) 11.261 18.287 ( 0.000 -6.100 11.278) 12.822 18.573 ( -0.000 -2.195 -7.055) 7.388 18.588 ( 0.000 -5.687 9.210) 10.825 18.764 ( -0.000 -6.005 0.537) 6.029 18.940 ( 0.000 5.185 -2.573) 5.789 19.771 ( -0.000 -4.119 -18.098) 18.561 22.734 ( 0.000 -0.614 0.694) 0.927 23.101 ( 0.000 -9.764 9.055) 13.317 ======================= Grid point 35 (24/116) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 4.881 12.362 11.178) 17.366 3.178 ( 1.859 17.377 6.079) 18.503 3.526 ( -5.950 22.382 12.291) 26.219 4.186 ( -4.157 6.646 6.798) 10.376 4.480 ( -3.982 6.528 10.203) 12.750 5.004 ( -11.631 1.498 -7.729) 14.045 5.275 ( 21.197 30.474 24.852) 44.672 5.409 ( -8.427 13.521 4.095) 16.450 5.871 ( -1.187 -1.930 4.973) 5.465 5.989 ( 1.441 8.611 -1.122) 8.802 6.112 ( 2.388 1.059 -0.405) 2.643 6.402 ( 10.874 1.005 -0.116) 10.921 6.664 ( 13.446 -0.833 21.887) 25.701 7.565 ( 5.487 5.450 -7.781) 10.970 8.448 ( -8.352 -14.358 -13.033) 21.113 8.606 ( -2.992 -9.358 -18.341) 20.807 9.086 ( -2.523 -8.134 -10.994) 13.907 9.658 ( -2.614 0.540 -1.029) 2.860 10.105 ( 0.440 5.508 -0.782) 5.581 10.171 ( -4.664 -17.802 -5.830) 19.304 10.377 ( 1.012 -1.274 2.787) 3.227 10.626 ( 3.451 -2.771 -1.129) 4.568 10.988 ( 4.186 0.365 4.035) 5.825 11.051 ( 0.432 2.149 2.151) 3.071 11.328 ( 1.678 5.589 7.823) 9.760 11.824 ( -4.152 21.911 0.080) 22.301 12.690 ( -4.974 -11.258 14.055) 18.682 13.655 ( 2.557 1.821 8.054) 8.644 13.951 ( -7.687 5.109 -3.160) 9.755 14.402 ( -1.909 -5.967 4.668) 7.813 14.883 ( 2.586 7.462 8.384) 11.518 15.219 ( -5.980 6.576 7.614) 11.703 15.564 ( 11.869 15.540 8.807) 21.446 16.720 ( 4.540 -1.914 -7.332) 8.834 18.234 ( -7.445 -5.640 10.477) 14.036 18.283 ( -18.365 -3.893 -0.504) 18.779 18.637 ( -1.994 -1.112 -0.562) 2.351 18.719 ( 3.820 -6.262 -1.059) 7.411 19.095 ( 10.848 3.104 2.180) 11.492 19.635 ( 2.869 -4.679 -15.787) 16.714 22.726 ( -0.297 -0.777 -0.204) 0.857 23.054 ( -1.698 -7.055 6.350) 9.643 ======================= Grid point 36 (25/116) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( -1.646 5.888 6.396) 8.848 3.414 ( 7.753 12.785 0.508) 14.960 3.703 ( -6.943 18.482 13.500) 23.917 4.202 ( -8.122 6.954 9.852) 14.540 4.523 ( -7.484 4.529 11.608) 14.535 4.743 ( -8.657 -0.502 -9.335) 12.742 5.334 ( -16.667 10.279 2.649) 19.761 5.890 ( 0.313 3.434 5.272) 6.300 5.938 ( 14.870 3.292 4.861) 15.987 6.097 ( 5.457 6.873 -5.787) 10.512 6.353 ( 14.055 13.500 6.081) 20.415 6.534 ( 7.341 -3.124 3.993) 8.921 7.015 ( 12.656 -3.315 16.777) 21.275 7.739 ( 15.616 3.949 -4.644) 16.763 7.990 ( -18.928 -14.077 -11.073) 26.058 8.345 ( -2.947 -7.305 -16.960) 18.700 8.957 ( -1.623 2.810 -5.433) 6.328 9.557 ( -6.245 -8.127 0.893) 10.288 9.896 ( -0.601 -10.257 -7.743) 12.865 10.178 ( 0.822 1.523 2.458) 3.006 10.425 ( 2.569 3.774 -1.754) 4.891 10.649 ( 2.521 -4.537 2.009) 5.566 11.082 ( 2.814 1.717 0.805) 3.394 11.109 ( 3.166 0.366 2.738) 4.202 11.438 ( 2.134 2.387 3.842) 5.001 11.869 ( -12.404 15.957 -3.024) 20.436 12.591 ( -3.746 -9.178 11.212) 14.966 13.682 ( -11.391 2.069 11.155) 16.077 13.909 ( 2.943 3.902 -6.665) 8.265 14.353 ( -0.502 -4.010 2.401) 4.701 14.996 ( -2.935 7.550 4.392) 9.214 15.218 ( -2.128 0.070 3.901) 4.444 15.991 ( 9.698 17.812 7.472) 21.614 16.741 ( 6.598 -4.667 -5.281) 9.654 17.891 ( -21.582 -4.452 0.852) 22.053 18.108 ( -8.640 -2.915 7.583) 11.859 18.580 ( -1.821 -0.244 -1.056) 2.119 18.705 ( 2.166 -5.291 -2.382) 6.194 19.341 ( 11.301 0.690 4.691) 12.255 19.561 ( 4.447 -2.805 -11.738) 12.862 22.707 ( -0.479 -0.575 -1.144) 1.367 22.994 ( -2.778 -4.401 3.838) 6.467 ======================= Grid point 37 (26/116) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( -13.919 0.558 -0.116) 13.931 3.629 ( 3.587 7.364 2.091) 8.453 3.805 ( -7.076 9.551 4.456) 12.695 4.223 ( -5.974 7.683 14.257) 17.262 4.430 ( -10.430 -0.505 3.786) 11.107 4.656 ( -0.569 3.239 -1.711) 3.707 5.091 ( -17.917 2.964 -3.324) 18.462 5.946 ( -0.736 2.663 5.232) 5.917 6.099 ( 4.957 -0.856 -4.365) 6.660 6.231 ( 8.391 0.944 -0.684) 8.472 6.397 ( -2.359 -7.449 -5.006) 9.280 6.863 ( 5.245 6.616 4.423) 9.531 7.266 ( -10.245 2.092 4.877) 11.537 7.475 ( 2.816 -8.484 -1.193) 9.018 8.054 ( 10.501 -0.499 0.594) 10.529 8.221 ( 14.710 -2.807 -9.690) 17.837 8.991 ( -4.894 12.082 1.261) 13.097 9.347 ( 0.211 -14.589 -2.258) 14.764 9.844 ( 3.299 -0.903 -3.327) 4.772 10.204 ( 0.091 -0.875 3.384) 3.497 10.495 ( 1.411 5.849 -3.583) 7.003 10.644 ( 0.926 -5.186 2.076) 5.662 11.134 ( 1.012 1.488 1.176) 2.149 11.170 ( 1.292 -0.261 0.631) 1.461 11.518 ( 1.919 1.505 1.331) 2.779 11.697 ( -13.330 4.739 -3.944) 14.687 12.517 ( -5.340 -4.502 5.497) 8.888 13.538 ( -12.772 3.089 4.611) 13.926 13.962 ( 2.614 0.758 -1.549) 3.132 14.328 ( -0.611 -2.024 0.164) 2.121 15.023 ( -4.317 6.966 2.724) 8.636 15.179 ( -3.217 -3.110 0.538) 4.507 16.246 ( -3.629 9.129 2.757) 10.203 16.802 ( 9.266 -1.518 -3.237) 9.931 17.531 ( -14.417 -3.478 1.179) 14.878 18.013 ( -5.034 -0.565 4.730) 6.931 18.571 ( 0.332 1.493 0.937) 1.793 18.666 ( 1.527 -4.386 -3.309) 5.702 19.430 ( -0.383 -2.207 -1.685) 2.803 19.674 ( 13.493 0.883 -0.612) 13.536 22.687 ( -0.272 -0.194 -1.341) 1.382 22.927 ( -3.447 -2.077 1.647) 4.349 ======================= Grid point 38 (27/116) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -23.536 0.000 0.000) 23.536 3.689 ( -11.473 0.000 0.000) 11.473 3.724 ( 1.740 -0.000 -0.000) 1.740 4.168 ( -21.266 0.000 0.000) 21.266 4.286 ( -4.404 0.000 0.000) 4.404 4.701 ( 3.155 -0.000 -0.000) 3.155 4.859 ( -3.603 0.000 0.000) 3.603 5.963 ( -3.025 0.000 0.000) 3.025 6.033 ( -10.963 0.000 0.000) 10.963 6.200 ( -9.499 0.000 0.000) 9.499 6.424 ( 10.319 -0.000 -0.000) 10.319 6.672 ( -28.446 0.000 0.000) 28.446 6.891 ( -12.031 0.000 0.000) 12.031 7.924 ( 29.245 -0.000 -0.000) 29.245 8.115 ( 4.783 -0.000 -0.000) 4.783 8.595 ( 24.018 -0.000 -0.000) 24.018 8.920 ( -7.775 0.000 0.000) 7.775 9.378 ( 9.520 -0.000 -0.000) 9.520 9.892 ( 2.967 -0.000 -0.000) 2.967 10.235 ( 3.527 -0.000 -0.000) 3.527 10.508 ( -2.861 0.000 0.000) 2.861 10.624 ( -0.199 0.000 0.000) 0.199 11.143 ( -4.192 0.000 0.000) 4.192 11.167 ( 1.574 -0.000 -0.000) 1.574 11.349 ( -16.498 0.000 0.000) 16.498 11.724 ( 10.200 -0.000 -0.000) 10.200 12.364 ( -12.067 0.000 0.000) 12.067 13.393 ( -7.921 0.000 0.000) 7.921 13.993 ( 1.521 -0.000 -0.000) 1.521 14.284 ( -3.271 0.000 0.000) 3.271 15.032 ( -3.276 0.000 0.000) 3.276 15.042 ( -7.782 0.000 0.000) 7.782 16.056 ( -21.062 0.000 0.000) 21.062 16.987 ( 12.255 -0.000 -0.000) 12.255 17.390 ( -1.088 0.000 0.000) 1.088 17.990 ( 0.363 -0.000 -0.000) 0.363 18.628 ( 2.381 -0.000 -0.000) 2.381 18.641 ( 1.919 -0.000 -0.000) 1.919 19.368 ( -4.175 0.000 0.000) 4.175 19.914 ( 13.451 -0.000 -0.000) 13.451 22.681 ( 0.324 -0.000 -0.000) 0.324 22.861 ( -3.644 0.000 0.000) 3.644 ======================= Grid point 45 (28/116) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 0.000 7.869 4.748) 9.190 3.344 ( 0.000 10.178 4.866) 11.281 3.841 ( 0.000 15.181 10.261) 18.323 4.338 ( 0.000 6.585 7.042) 9.642 4.638 ( 0.000 7.970 4.543) 9.173 5.101 ( -0.000 -0.957 -3.986) 4.099 5.512 ( 0.000 22.610 14.778) 27.011 5.723 ( 0.000 23.841 8.573) 25.336 5.839 ( -0.000 -7.938 4.124) 8.946 6.012 ( 0.000 5.665 0.969) 5.747 6.218 ( -0.000 -2.761 -0.398) 2.789 6.222 ( 0.000 6.674 -1.098) 6.764 6.707 ( 0.000 -1.081 22.261) 22.287 7.487 ( -0.000 0.826 -8.509) 8.549 8.315 ( -0.000 -11.269 -10.084) 15.122 8.419 ( -0.000 -8.264 -17.745) 19.575 8.974 ( -0.000 -2.204 -9.079) 9.342 9.682 ( -0.000 1.061 -1.423) 1.775 9.976 ( -0.000 -23.534 -5.619) 24.196 10.144 ( 0.000 7.568 -3.123) 8.187 10.329 ( 0.000 -6.182 4.293) 7.527 10.610 ( 0.000 2.596 -0.173) 2.602 10.981 ( 0.000 0.639 2.656) 2.732 11.075 ( 0.000 1.059 1.930) 2.202 11.413 ( 0.000 4.056 5.431) 6.778 12.095 ( 0.000 22.854 0.836) 22.869 12.714 ( 0.000 -12.452 11.801) 17.156 13.660 ( 0.000 1.936 2.750) 3.363 14.057 ( 0.000 1.697 0.186) 1.707 14.383 ( -0.000 -5.602 1.619) 5.832 14.983 ( 0.000 6.547 9.432) 11.481 15.356 ( 0.000 -1.489 0.917) 1.749 15.708 ( 0.000 23.892 10.935) 26.275 16.604 ( -0.000 -5.699 -4.503) 7.263 18.325 ( 0.000 -4.491 10.417) 11.344 18.459 ( -0.000 -0.961 -4.539) 4.639 18.559 ( -0.000 -4.630 1.002) 4.738 18.658 ( -0.000 -4.557 0.020) 4.557 19.033 ( 0.000 3.933 2.403) 4.609 19.456 ( -0.000 -4.241 -14.122) 14.745 22.719 ( -0.000 -0.911 -0.205) 0.934 23.046 ( 0.000 -4.901 4.257) 6.492 ======================= Grid point 46 (29/116) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( 7.643 4.275 2.796) 9.193 3.434 ( -0.315 4.576 1.349) 4.781 3.986 ( -2.835 8.318 6.091) 10.692 4.410 ( -2.862 4.320 5.848) 7.814 4.713 ( -2.556 6.162 3.537) 7.551 4.909 ( -15.201 -1.846 -3.660) 15.744 5.694 ( -9.927 4.832 2.876) 11.410 5.826 ( 6.379 7.007 3.536) 10.114 5.951 ( 1.935 2.360 4.502) 5.439 6.065 ( -4.401 0.995 -5.091) 6.803 6.254 ( 10.228 3.801 1.091) 10.966 6.465 ( 11.890 12.978 9.696) 20.096 6.852 ( 8.218 -9.833 8.851) 15.574 7.524 ( 8.877 1.896 -2.477) 9.409 8.083 ( -10.271 -7.064 -5.919) 13.800 8.214 ( -2.296 -6.404 -13.178) 14.830 8.961 ( 1.943 5.774 -3.532) 7.042 9.605 ( -8.654 -10.138 0.282) 13.332 9.739 ( 1.836 -6.863 -4.992) 8.683 10.210 ( 0.622 5.336 -1.229) 5.511 10.339 ( 5.158 -4.430 1.792) 7.032 10.629 ( -0.174 0.704 0.579) 0.928 11.029 ( 3.367 0.263 1.112) 3.555 11.102 ( 0.899 0.639 1.010) 1.495 11.467 ( -0.137 1.702 2.286) 2.854 12.221 ( -10.118 16.121 -1.482) 19.091 12.623 ( -2.720 -10.405 7.985) 13.395 13.754 ( 6.313 0.435 3.034) 7.018 13.992 ( -8.738 1.944 -1.158) 9.026 14.337 ( -0.466 -3.089 0.742) 3.211 15.093 ( -0.308 3.733 4.555) 5.897 15.304 ( -3.554 -0.355 0.734) 3.646 16.058 ( 7.470 17.264 6.158) 19.793 16.547 ( 4.704 -8.196 -3.077) 9.938 18.216 ( -18.301 -1.693 -0.428) 18.384 18.282 ( -7.985 -1.677 6.471) 10.414 18.576 ( 1.450 -3.249 -2.946) 4.619 18.618 ( 0.820 -1.099 -0.219) 1.388 19.189 ( 10.301 1.703 4.250) 11.273 19.380 ( 4.370 -2.534 -9.459) 10.723 22.706 ( -0.482 -0.536 -0.337) 0.796 23.018 ( -1.525 -2.385 2.060) 3.501 ======================= Grid point 47 (30/116) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( -5.370 0.000 0.000) 5.370 3.552 ( 9.514 -0.000 -0.000) 9.514 3.983 ( -5.378 0.000 0.000) 5.378 4.410 ( -3.017 0.000 0.000) 3.017 4.598 ( -15.418 0.000 0.000) 15.418 4.712 ( -2.726 0.000 0.000) 2.726 5.462 ( -20.579 0.000 0.000) 20.579 5.944 ( 2.431 -0.000 -0.000) 2.431 6.010 ( 5.352 -0.000 -0.000) 5.352 6.101 ( 6.095 -0.000 -0.000) 6.095 6.352 ( 2.418 -0.000 -0.000) 2.418 6.844 ( 5.401 -0.000 -0.000) 5.401 7.005 ( 23.195 -0.000 -0.000) 23.195 7.748 ( -22.005 0.000 0.000) 22.005 7.785 ( 19.366 -0.000 -0.000) 19.366 8.078 ( -2.875 0.000 0.000) 2.875 9.077 ( 6.685 -0.000 -0.000) 6.685 9.330 ( -12.878 0.000 0.000) 12.878 9.758 ( 3.868 -0.000 -0.000) 3.868 10.225 ( -0.875 0.000 0.000) 0.875 10.436 ( 6.389 -0.000 -0.000) 6.389 10.626 ( -0.376 0.000 0.000) 0.376 11.108 ( 4.854 -0.000 -0.000) 4.854 11.128 ( 1.204 -0.000 -0.000) 1.204 11.484 ( 0.859 -0.000 -0.000) 0.859 12.026 ( -18.589 0.000 0.000) 18.589 12.574 ( -1.873 0.000 0.000) 1.873 13.799 ( -13.451 0.000 0.000) 13.451 13.886 ( 6.094 -0.000 -0.000) 6.094 14.323 ( -0.007 0.000 0.000) 0.007 15.104 ( -1.588 0.000 0.000) 1.588 15.245 ( -4.251 0.000 0.000) 4.251 16.297 ( 5.231 -0.000 -0.000) 5.231 16.602 ( 9.215 -0.000 -0.000) 9.215 17.849 ( -22.035 0.000 0.000) 22.035 18.145 ( -8.592 0.000 0.000) 8.592 18.575 ( 1.172 -0.000 -0.000) 1.172 18.612 ( 0.046 -0.000 -0.000) 0.046 19.395 ( 2.818 -0.000 -0.000) 2.818 19.435 ( 13.884 -0.000 -0.000) 13.884 22.691 ( -0.673 0.000 0.000) 0.673 22.976 ( -2.738 0.000 0.000) 2.738 ======================= Grid point 58 (31/116) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 4.068 ( -0.000 -0.000 -0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.781 ( 0.000 -0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 5.877 ( -0.000 0.000 -0.000) 0.000 5.928 ( 0.000 -0.000 0.000) 0.000 6.065 ( 0.000 0.000 0.000) 0.000 6.308 ( 0.000 0.000 0.000) 0.000 6.411 ( -0.000 -0.000 -0.000) 0.000 6.735 ( 0.000 0.000 0.000) 0.000 7.453 ( 0.000 0.000 0.000) 0.000 8.115 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.963 ( 0.000 0.000 0.000) 0.000 9.620 ( 0.000 0.000 0.000) 0.000 9.682 ( 0.000 0.000 0.000) 0.000 10.241 ( 0.000 -0.000 0.000) 0.000 10.255 ( 0.000 0.000 -0.000) 0.000 10.639 ( 0.000 0.000 0.000) 0.000 11.005 ( 0.000 0.000 -0.000) 0.000 11.100 ( 0.000 0.000 0.000) 0.000 11.487 ( 0.000 0.000 -0.000) 0.000 12.425 ( 0.000 0.000 0.000) 0.000 12.594 ( 0.000 0.000 -0.000) 0.000 13.699 ( 0.000 0.000 0.000) 0.000 14.079 ( 0.000 0.000 0.000) 0.000 14.325 ( 0.000 0.000 -0.000) 0.000 15.144 ( 0.000 0.000 0.000) 0.000 15.323 ( 0.000 0.000 0.000) 0.000 16.126 ( -0.000 -0.000 -0.000) 0.000 16.431 ( 0.000 0.000 0.000) 0.000 18.385 ( 0.000 0.000 -0.000) 0.000 18.418 ( 0.000 -0.000 0.000) 0.000 18.478 ( 0.000 0.000 0.000) 0.000 18.608 ( 0.000 0.000 0.000) 0.000 19.120 ( 0.000 0.000 0.000) 0.000 19.282 ( -0.000 0.000 -0.000) 0.000 22.706 ( 0.000 0.000 0.000) 0.000 23.026 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 116 (32/116) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.000 0.000 37.252) 37.252 0.775 ( 0.000 0.000 37.252) 37.252 1.593 ( 0.000 0.000 76.686) 76.686 2.320 ( 0.000 0.000 0.082) 0.082 3.983 ( 0.000 0.000 7.788) 7.788 3.983 ( 0.000 0.000 7.788) 7.788 4.983 ( -0.000 -0.000 -5.979) 5.979 4.983 ( -0.000 -0.000 -5.979) 5.979 5.704 ( 0.000 0.000 10.010) 10.010 5.943 ( -0.000 -0.000 -9.266) 9.266 5.943 ( -0.000 0.000 -9.266) 9.266 6.391 ( 0.000 0.000 3.471) 3.471 6.410 ( 0.000 -0.000 12.704) 12.704 6.410 ( 0.000 0.000 12.704) 12.704 9.601 ( -0.000 -0.000 -14.180) 14.180 9.601 ( -0.000 -0.000 -14.180) 14.180 9.622 ( -0.000 -0.000 -0.758) 0.758 9.913 ( -0.000 -0.000 -3.260) 3.260 9.913 ( -0.000 -0.000 -3.260) 3.260 10.324 ( -0.000 -0.000 -14.079) 14.079 10.370 ( 0.000 0.000 7.790) 7.790 10.370 ( 0.000 0.000 7.790) 7.790 10.645 ( 0.000 0.000 14.148) 14.148 10.645 ( 0.000 0.000 14.148) 14.148 10.892 ( 0.000 0.000 0.953) 0.953 11.576 ( -0.000 -0.000 -8.800) 8.800 13.245 ( 0.000 -0.000 0.421) 0.421 13.245 ( 0.000 -0.000 0.421) 0.421 14.222 ( 0.000 0.000 7.977) 7.977 14.222 ( 0.000 0.000 7.977) 7.977 14.390 ( 0.000 0.000 8.546) 8.546 14.701 ( 0.000 0.000 10.459) 10.459 15.256 ( 0.000 0.000 2.700) 2.700 15.256 ( 0.000 0.000 2.700) 2.700 18.249 ( 0.000 0.000 8.809) 8.809 18.801 ( -0.000 -0.000 -6.024) 6.024 18.801 ( -0.000 -0.000 -6.024) 6.024 18.991 ( 0.000 0.000 2.458) 2.458 18.991 ( 0.000 0.000 2.458) 2.458 19.794 ( -0.000 -0.000 -1.745) 1.745 22.704 ( 0.000 0.000 2.863) 2.863 23.882 ( -0.000 -0.000 -1.950) 1.950 ======================= Grid point 117 (33/116) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 12.781 7.379 26.708) 30.514 1.481 ( 17.223 9.944 39.418) 44.151 2.438 ( 9.318 5.380 -0.453) 10.769 2.517 ( 36.530 21.091 57.133) 71.017 3.972 ( -3.119 -1.801 8.211) 8.966 4.119 ( 2.994 1.729 9.242) 9.868 4.981 ( 3.358 1.939 -8.269) 9.133 4.990 ( 3.375 1.949 -7.420) 8.381 5.707 ( -6.886 -3.975 -6.107) 10.025 5.791 ( 1.271 0.734 13.523) 13.602 6.037 ( 0.927 0.535 -2.783) 2.982 6.241 ( -3.795 -2.191 6.154) 7.555 6.681 ( 17.327 10.004 -0.827) 20.024 6.691 ( 7.508 4.335 12.993) 15.620 9.426 ( -4.793 -2.767 -17.188) 18.057 9.457 ( -5.071 -2.927 -14.430) 15.572 9.632 ( 0.873 0.504 -3.302) 3.452 9.760 ( -10.090 -5.825 3.317) 12.114 9.926 ( 3.164 1.827 -4.845) 6.068 10.084 ( -4.166 -2.405 0.709) 4.862 10.492 ( 2.997 1.730 16.001) 16.371 10.504 ( 5.782 3.338 -2.261) 7.049 10.778 ( 2.223 1.284 12.908) 13.161 10.914 ( 1.285 0.742 1.310) 1.979 10.921 ( 9.716 5.609 1.560) 11.326 11.458 ( -4.181 -2.414 -11.305) 12.292 13.157 ( -3.875 -2.237 -2.427) 5.090 13.212 ( -8.658 -4.999 23.080) 25.152 13.835 ( -17.816 -10.286 9.014) 22.460 14.282 ( 0.458 0.264 9.309) 9.324 14.481 ( -1.908 -1.102 12.700) 12.890 14.570 ( 6.911 3.990 15.361) 17.310 15.278 ( 0.042 0.024 3.269) 3.269 16.285 ( 41.051 23.701 -30.167) 56.187 18.289 ( -2.929 -1.691 9.682) 10.255 18.632 ( -16.027 -9.253 6.788) 19.712 18.734 ( -1.672 -0.965 -5.927) 6.233 18.908 ( 2.599 1.500 -0.256) 3.012 19.014 ( -0.512 -0.296 2.075) 2.158 19.980 ( 11.168 6.448 -15.694) 20.313 22.723 ( -0.217 -0.125 3.156) 3.166 23.567 ( -18.829 -10.871 12.801) 25.231 ======================= Grid point 118 (34/116) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 20.381 11.767 16.975) 29.018 2.102 ( 13.765 7.947 41.100) 44.067 2.678 ( 11.387 6.574 -2.004) 13.301 3.778 ( 38.507 22.232 32.932) 55.332 3.963 ( -3.157 -1.823 10.311) 10.937 4.246 ( 5.733 3.310 15.389) 16.753 4.967 ( -2.077 -1.199 -9.321) 9.624 4.975 ( 1.556 0.898 -10.779) 10.927 5.627 ( 4.191 2.420 -1.831) 5.174 5.843 ( -4.408 -2.545 6.015) 7.880 6.109 ( 5.003 2.889 19.893) 20.715 6.320 ( 6.662 3.847 -1.830) 7.908 6.925 ( 5.096 2.942 12.908) 14.186 7.114 ( 22.260 12.852 -6.080) 26.412 9.121 ( -11.549 -6.668 -18.932) 23.157 9.176 ( -9.863 -5.695 -16.461) 20.017 9.529 ( -10.521 -6.074 -2.532) 12.410 9.605 ( -0.862 -0.498 -3.836) 3.963 10.003 ( 5.781 3.337 -3.326) 7.458 10.048 ( -2.786 -1.608 5.830) 6.659 10.594 ( 4.085 2.359 -7.870) 9.176 10.683 ( 2.922 1.687 15.583) 15.944 10.914 ( 2.324 1.342 10.836) 11.163 10.976 ( 3.117 1.800 3.152) 4.784 11.132 ( 8.689 5.017 4.055) 10.821 11.269 ( -4.322 -2.495 -11.277) 12.332 13.045 ( -3.716 -2.145 -3.789) 5.724 13.149 ( -14.525 -8.386 33.511) 37.474 13.735 ( 5.132 2.963 -4.723) 7.578 14.361 ( 0.565 0.326 9.697) 9.719 14.485 ( -4.539 -2.620 11.456) 12.598 14.906 ( 12.093 6.982 15.301) 20.715 15.300 ( -0.065 -0.038 3.203) 3.204 16.743 ( 18.906 10.916 -23.338) 31.957 18.231 ( -7.102 -4.101 7.511) 11.121 18.280 ( -19.151 -11.057 9.667) 24.134 18.648 ( -2.282 -1.318 -5.323) 5.939 18.999 ( -1.766 -1.020 1.340) 2.440 19.062 ( 9.313 5.377 1.607) 10.874 20.020 ( 3.094 1.786 -17.062) 17.432 22.734 ( -0.531 -0.307 2.314) 2.393 23.308 ( -12.059 -6.962 12.015) 18.392 ======================= Grid point 119 (35/116) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 18.483 10.671 12.369) 24.668 2.673 ( 12.418 7.169 37.611) 40.251 2.907 ( 10.332 5.965 -2.641) 12.220 3.962 ( -4.209 -2.430 12.463) 13.377 4.020 ( -10.467 -6.043 8.121) 14.561 4.775 ( -8.342 -4.816 -6.648) 11.704 4.924 ( 0.776 0.448 -8.064) 8.114 5.197 ( 43.802 25.289 27.840) 57.734 5.798 ( -1.160 -0.670 1.861) 2.293 5.863 ( 15.785 9.113 -1.929) 18.329 6.382 ( 4.818 2.782 12.165) 13.377 6.492 ( 9.128 5.270 5.304) 11.800 7.085 ( 0.956 0.552 11.684) 11.736 7.603 ( 23.771 13.724 -5.221) 27.941 8.633 ( -19.655 -11.348 -19.201) 29.728 8.812 ( -11.194 -6.463 -16.560) 21.008 9.243 ( -10.982 -6.341 -8.728) 15.395 9.558 ( -0.980 -0.566 -2.710) 2.937 10.004 ( -5.249 -3.031 7.375) 9.547 10.124 ( 6.120 3.534 -2.487) 7.492 10.551 ( -3.541 -2.045 -4.696) 6.227 10.797 ( 0.117 0.068 7.768) 7.770 11.021 ( 1.068 0.616 7.721) 7.819 11.092 ( 3.372 1.947 5.700) 6.903 11.154 ( 0.142 0.082 -7.475) 7.477 11.394 ( 12.816 7.399 -1.003) 14.833 12.955 ( -1.990 -1.149 -1.903) 2.983 13.025 ( -14.290 -8.250 26.883) 31.543 13.875 ( 7.544 4.355 -4.008) 9.589 14.431 ( -0.253 -0.146 9.194) 9.199 14.448 ( -3.953 -2.282 8.128) 9.322 15.303 ( 13.057 7.539 14.662) 21.031 15.316 ( -0.329 -0.190 2.417) 2.447 16.910 ( 8.749 5.051 -17.871) 20.529 17.912 ( -17.809 -10.282 8.761) 22.353 18.094 ( -8.511 -4.914 6.556) 11.813 18.566 ( -1.891 -1.092 -4.181) 4.717 18.958 ( -2.189 -1.264 0.285) 2.544 19.317 ( 10.370 5.987 5.313) 13.100 19.921 ( -1.336 -0.771 -15.572) 15.649 22.730 ( -0.631 -0.364 0.568) 0.924 23.151 ( -8.173 -4.719 7.962) 12.347 ======================= Grid point 120 (36/116) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 8.799 5.080 9.179) 13.692 3.147 ( 12.325 7.116 -0.386) 14.237 3.149 ( 6.729 3.885 30.120) 31.106 3.753 ( -15.044 -8.686 9.161) 19.639 3.905 ( -9.219 -5.323 11.884) 15.955 4.578 ( -4.911 -2.835 -0.537) 5.696 4.900 ( 0.430 0.248 -2.550) 2.598 5.796 ( 0.814 0.470 -2.716) 2.873 6.227 ( 27.651 15.964 8.724) 33.099 6.233 ( 16.811 9.706 -4.234) 19.868 6.500 ( 5.159 2.978 2.325) 6.394 6.760 ( 7.073 4.084 13.187) 15.511 7.086 ( -7.506 -4.334 6.296) 10.713 7.890 ( -15.616 -9.016 -11.487) 21.380 8.216 ( 14.951 8.632 -5.802) 18.213 8.512 ( -4.498 -2.597 -11.958) 13.037 8.937 ( -10.117 -5.841 -7.598) 13.936 9.535 ( 0.135 0.078 -0.681) 0.699 9.918 ( -4.902 -2.830 3.030) 6.420 10.231 ( 4.388 2.533 -2.020) 5.455 10.430 ( -4.749 -2.742 1.005) 5.576 10.813 ( -1.564 -0.903 2.455) 3.048 11.048 ( -2.024 -1.169 2.418) 3.363 11.150 ( 1.778 1.026 -1.959) 2.838 11.166 ( 0.358 0.206 2.354) 2.390 11.667 ( 12.895 7.445 -6.830) 16.382 12.850 ( -15.381 -8.880 18.367) 25.549 12.944 ( 0.623 0.360 3.451) 3.525 13.968 ( 2.341 1.352 -1.380) 3.035 14.440 ( -0.525 -0.303 3.369) 3.423 14.469 ( -1.718 -0.992 8.011) 8.253 15.317 ( -0.692 -0.400 1.228) 1.465 15.647 ( 7.479 4.318 10.642) 13.705 16.902 ( 0.833 0.481 -13.731) 13.765 17.653 ( -8.422 -4.863 7.014) 11.990 17.961 ( -6.911 -3.990 7.947) 11.262 18.515 ( -0.340 -0.196 -2.590) 2.620 18.910 ( -1.690 -0.975 -0.997) 2.191 19.559 ( 4.740 2.736 4.871) 7.327 19.796 ( 1.499 0.865 -11.153) 11.286 22.716 ( -0.330 -0.191 -1.424) 1.474 23.032 ( -6.066 -3.502 4.170) 8.151 ======================= Grid point 121 (37/116) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -2.628 -1.517 7.396) 7.995 3.113 ( -20.659 -11.927 9.707) 25.754 3.438 ( 11.224 6.480 2.628) 13.225 3.688 ( -15.299 -8.833 9.236) 19.934 3.760 ( 4.925 2.843 22.975) 23.668 4.597 ( 4.585 2.647 6.851) 8.658 4.904 ( 0.639 0.369 0.493) 0.887 5.771 ( -0.567 -0.328 -5.989) 6.024 6.399 ( -1.436 -0.829 -6.602) 6.807 6.502 ( 7.651 4.417 -4.603) 9.962 6.549 ( -22.675 -13.092 -6.369) 26.947 6.685 ( -9.779 -5.646 -5.039) 12.366 6.812 ( -14.980 -8.649 -5.404) 18.122 7.810 ( 19.584 11.307 9.088) 24.372 8.506 ( 8.340 4.815 -3.388) 10.209 8.550 ( 1.443 0.833 -1.635) 2.334 8.807 ( 9.080 5.243 2.384) 10.753 9.558 ( 1.592 0.919 1.526) 2.389 9.857 ( -0.602 -0.348 0.422) 0.813 10.284 ( 1.104 0.637 -1.625) 2.066 10.382 ( -0.662 -0.382 4.222) 4.291 10.755 ( -3.738 -2.158 -2.698) 5.090 10.970 ( -4.294 -2.479 -1.942) 5.326 11.144 ( -2.365 -1.366 -1.187) 2.978 11.195 ( 2.489 1.437 0.713) 2.961 11.872 ( 9.359 5.403 -7.886) 13.378 12.552 ( -19.016 -10.979 8.757) 23.639 13.020 ( 1.974 1.140 8.404) 8.707 14.007 ( 1.808 1.044 1.533) 2.591 14.425 ( -2.582 -1.491 -0.363) 3.003 14.460 ( -3.391 -1.958 6.429) 7.527 15.302 ( -0.999 -0.577 0.205) 1.172 15.671 ( -10.361 -5.982 1.784) 12.096 16.893 ( 7.552 4.360 -7.881) 11.754 17.608 ( -0.976 -0.564 5.718) 5.828 17.917 ( -1.797 -1.037 10.017) 10.230 18.521 ( 1.908 1.102 -0.813) 2.349 18.872 ( -0.527 -0.305 -2.349) 2.427 19.486 ( -6.007 -3.468 -6.737) 9.670 19.954 ( 10.312 5.953 2.912) 12.258 22.699 ( 0.267 0.154 -2.824) 2.840 22.928 ( -4.610 -2.661 0.901) 5.399 ======================= Grid point 122 (38/116) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -14.253 -8.229 8.638) 18.587 2.616 ( -26.798 -15.472 9.366) 32.330 3.386 ( -14.829 -8.562 5.993) 18.142 3.664 ( 5.686 3.283 6.713) 9.390 4.007 ( 2.837 1.638 15.410) 15.754 4.844 ( 10.840 6.259 10.167) 16.126 4.947 ( 2.876 1.661 1.784) 3.770 5.495 ( -48.482 -27.991 -18.065) 58.825 5.698 ( -2.056 -1.187 -5.403) 5.902 6.269 ( -20.433 -11.797 -3.604) 23.868 6.276 ( -9.494 -5.481 -1.030) 11.011 6.544 ( -4.267 -2.464 -4.902) 6.950 6.647 ( 2.924 1.688 -12.888) 13.323 8.100 ( -6.306 -3.641 -3.490) 8.075 8.674 ( 17.099 9.872 10.924) 22.565 8.782 ( 15.289 8.827 -0.236) 17.655 9.129 ( 11.748 6.783 2.343) 13.766 9.624 ( 2.585 1.492 3.106) 4.307 9.908 ( 2.535 1.464 5.568) 6.290 10.248 ( -3.383 -1.953 -2.339) 4.553 10.472 ( 6.579 3.798 3.039) 8.182 10.615 ( -4.796 -2.769 -6.556) 8.582 10.848 ( -5.138 -2.966 -2.863) 6.588 11.061 ( -3.357 -1.938 -1.915) 4.323 11.274 ( 4.096 2.365 0.254) 4.736 11.959 ( -3.794 -2.191 1.949) 4.795 12.154 ( -12.122 -6.999 -5.038) 14.876 13.129 ( 1.669 0.964 10.144) 10.325 14.078 ( 2.792 1.612 2.994) 4.400 14.305 ( -7.122 -4.112 -1.419) 8.345 14.406 ( -4.651 -2.685 4.910) 7.277 15.277 ( -1.078 -0.622 -0.201) 1.261 15.290 ( -19.336 -11.163 -4.359) 22.748 17.106 ( 14.019 8.094 -8.490) 18.279 17.641 ( -0.719 -0.415 9.600) 9.635 18.016 ( 3.780 2.183 9.787) 10.717 18.588 ( 3.874 2.237 0.789) 4.542 18.855 ( 0.736 0.425 -3.616) 3.714 19.291 ( -6.644 -3.836 -6.301) 9.928 20.209 ( 9.828 5.674 3.041) 11.749 22.692 ( 0.778 0.449 -2.702) 2.848 22.835 ( -3.299 -1.904 -1.551) 4.113 ======================= Grid point 123 (39/116) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -28.916 -16.695 15.432) 36.783 2.143 ( -24.509 -14.151 12.437) 30.913 3.090 ( -14.579 -8.417 3.606) 17.216 3.807 ( 2.588 1.494 8.475) 8.987 4.065 ( -4.107 -2.371 4.172) 6.317 4.175 ( -54.512 -31.472 -16.570) 65.089 5.082 ( 6.458 3.728 3.736) 8.341 5.166 ( 9.320 5.381 9.494) 14.351 5.632 ( -1.787 -1.031 -1.096) 2.336 5.820 ( -13.650 -7.881 -3.982) 16.257 5.997 ( -13.074 -7.548 0.772) 15.116 6.425 ( -3.665 -2.116 -4.761) 6.370 6.574 ( -1.870 -1.080 -12.068) 12.260 7.773 ( -16.866 -9.738 -2.826) 19.679 9.137 ( 15.535 8.969 -1.931) 18.042 9.138 ( 14.080 8.129 5.315) 17.105 9.365 ( 10.110 5.837 0.059) 11.674 9.704 ( 2.285 1.319 2.586) 3.695 9.995 ( -0.960 -0.554 11.899) 11.950 10.103 ( -6.557 -3.786 -4.201) 8.659 10.488 ( -3.045 -1.758 -3.500) 4.961 10.692 ( -6.339 -3.660 -2.937) 7.887 10.706 ( 11.536 6.660 0.845) 13.347 10.984 ( -2.567 -1.482 -0.585) 3.021 11.333 ( -2.775 -1.602 -3.417) 4.685 11.626 ( -13.718 -7.920 4.131) 16.370 12.126 ( 4.418 2.551 -3.509) 6.192 13.223 ( 0.632 0.365 9.208) 9.237 14.105 ( -8.618 -4.975 3.904) 10.689 14.172 ( 2.813 1.624 0.257) 3.258 14.325 ( -4.950 -2.858 4.102) 7.035 14.820 ( -17.553 -10.134 -6.486) 21.281 15.254 ( -0.872 -0.503 0.086) 1.010 17.342 ( 12.634 7.294 -15.657) 21.400 17.728 ( 1.051 0.607 16.819) 16.863 18.178 ( 4.162 2.403 8.378) 9.658 18.698 ( 4.727 2.729 1.974) 5.804 18.853 ( 1.526 0.881 -4.709) 5.028 19.109 ( -5.854 -3.380 -4.549) 8.148 20.428 ( 8.595 4.963 -1.779) 10.083 22.700 ( 0.636 0.367 0.346) 0.812 22.762 ( -1.649 -0.952 -2.106) 2.839 ======================= Grid point 124 (40/116) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -28.637 -16.533 27.669) 43.116 1.618 ( -29.919 -17.274 18.252) 39.073 2.761 ( -15.386 -8.883 1.123) 17.802 2.765 ( -59.644 -34.435 -6.576) 69.184 3.906 ( 0.804 0.464 9.108) 9.156 3.991 ( -3.224 -1.861 -1.326) 3.952 5.220 ( 0.974 0.562 1.095) 1.570 5.221 ( -6.215 -3.589 -2.119) 7.483 5.584 ( -2.038 -1.177 2.340) 3.319 5.781 ( 8.267 4.773 8.373) 12.697 5.807 ( -2.137 -1.234 1.351) 2.814 6.311 ( -3.641 -2.102 -2.298) 4.791 6.409 ( -5.151 -2.974 -11.581) 13.019 7.342 ( -19.285 -11.134 -2.205) 22.378 9.367 ( 4.833 2.791 8.545) 10.206 9.427 ( 11.570 6.680 -5.555) 14.468 9.605 ( 10.771 6.218 -8.226) 14.911 9.739 ( 0.429 0.248 -2.960) 3.001 9.943 ( -4.973 -2.871 -0.187) 5.745 10.039 ( -2.745 -1.585 16.967) 17.261 10.421 ( -1.455 -0.840 -2.512) 3.022 10.556 ( -4.949 -2.857 3.946) 6.945 10.880 ( -5.464 -3.154 -4.035) 7.489 10.933 ( -1.937 -1.118 0.251) 2.251 11.046 ( -5.155 -2.976 -0.122) 5.954 11.600 ( 5.346 3.087 -9.620) 11.430 12.253 ( 4.924 2.843 14.065) 15.170 13.279 ( -0.594 -0.343 6.799) 6.834 13.959 ( -5.440 -3.141 3.442) 7.163 14.248 ( -4.108 -2.372 4.517) 6.551 14.251 ( 2.058 1.188 4.639) 5.212 14.430 ( -12.659 -7.308 -4.881) 15.410 15.241 ( -0.507 -0.293 0.848) 1.030 17.401 ( 3.821 2.206 -28.751) 29.087 17.943 ( 6.290 3.632 20.675) 21.913 18.300 ( 1.515 0.874 9.811) 9.965 18.819 ( 4.070 2.350 2.804) 5.473 18.855 ( 1.751 1.011 -5.701) 6.049 18.970 ( -3.963 -2.288 -3.073) 5.512 20.539 ( 4.789 2.765 -15.814) 16.753 22.696 ( -1.032 -0.596 0.391) 1.254 22.798 ( 3.356 1.937 12.356) 12.950 ======================= Grid point 127 (41/116) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.000 31.827 24.145) 39.949 1.706 ( 0.000 26.577 31.557) 41.258 2.452 ( 0.000 12.826 0.195) 12.827 2.820 ( 0.000 18.170 67.121) 69.537 4.054 ( 0.000 -1.361 8.271) 8.382 4.172 ( 0.000 3.652 8.842) 9.566 4.925 ( -0.000 3.653 -5.885) 6.927 4.969 ( -0.000 7.000 -7.935) 10.581 5.724 ( -0.000 -2.084 -3.854) 4.381 5.892 ( 0.000 2.422 13.696) 13.909 5.987 ( -0.000 7.339 -8.636) 11.333 6.354 ( 0.000 -12.735 13.092) 18.265 6.390 ( 0.000 -3.348 6.575) 7.378 6.922 ( 0.000 19.166 7.069) 20.428 9.294 ( -0.000 -7.172 -16.646) 18.125 9.358 ( -0.000 -4.431 -18.560) 19.081 9.619 ( -0.000 1.149 -1.926) 2.243 9.763 ( -0.000 -8.964 -3.822) 9.745 9.870 ( -0.000 2.650 -3.952) 4.758 10.143 ( -0.000 9.406 -14.681) 17.435 10.460 ( 0.000 -3.202 9.886) 10.392 10.635 ( 0.000 6.881 15.764) 17.200 10.830 ( 0.000 -0.360 13.304) 13.309 10.923 ( 0.000 1.394 1.590) 2.114 10.971 ( 0.000 9.076 7.225) 11.601 11.375 ( -0.000 -5.536 -11.602) 12.855 13.094 ( 0.000 -10.841 6.932) 12.868 13.353 ( 0.000 5.099 2.287) 5.589 14.108 ( 0.000 -15.521 12.898) 20.181 14.402 ( 0.000 3.045 12.321) 12.692 14.480 ( 0.000 -1.185 17.039) 17.080 14.577 ( 0.000 -4.457 14.256) 14.936 15.306 ( 0.000 0.114 4.171) 4.172 16.114 ( 0.000 41.375 -19.051) 45.550 18.379 ( 0.000 -2.052 11.650) 11.829 18.701 ( -0.000 -1.169 -7.444) 7.536 18.726 ( -0.000 0.324 -1.110) 1.156 18.908 ( -0.000 -7.952 4.237) 9.010 18.966 ( -0.000 -3.758 1.509) 4.050 19.869 ( -0.000 6.363 -10.669) 12.422 22.747 ( 0.000 -0.563 3.711) 3.753 23.623 ( -0.000 -18.349 6.641) 19.514 ======================= Grid point 128 (42/116) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -5.115 34.798 19.804) 40.364 2.304 ( 10.229 17.893 34.307) 40.022 2.646 ( 4.198 15.793 1.019) 16.373 3.694 ( 25.765 21.455 45.997) 56.920 4.084 ( -2.285 0.995 11.861) 12.120 4.301 ( 4.170 4.447 9.723) 11.476 4.912 ( -2.391 3.016 -6.183) 7.283 4.989 ( -1.148 8.065 -8.332) 11.653 5.654 ( -3.882 4.856 -1.995) 6.529 5.933 ( -4.170 -1.157 4.191) 6.024 6.139 ( 9.057 6.366 7.237) 13.226 6.259 ( 0.199 -6.563 10.921) 12.743 6.655 ( 20.051 -3.719 6.867) 21.518 7.150 ( 2.012 16.141 4.095) 16.773 9.054 ( -5.281 -9.179 -17.949) 20.840 9.119 ( -5.194 -7.321 -20.193) 22.099 9.560 ( -6.294 -9.138 -10.899) 15.553 9.606 ( -1.229 1.277 -2.866) 3.370 9.918 ( 4.212 3.668 -2.793) 6.245 10.152 ( -1.822 9.905 -3.723) 10.737 10.509 ( 1.791 -2.967 3.985) 5.281 10.808 ( -0.580 4.514 13.127) 13.893 10.934 ( 2.759 -0.730 9.515) 9.934 10.975 ( 2.364 2.174 3.646) 4.859 11.121 ( 3.871 3.822 5.851) 7.989 11.232 ( -2.449 -0.505 -7.811) 8.202 13.012 ( -3.081 -8.624 4.874) 10.374 13.469 ( 2.803 3.948 9.802) 10.933 13.833 ( -18.268 -3.480 9.275) 20.781 14.485 ( -2.197 5.109 11.943) 13.175 14.597 ( -2.865 -4.921 12.013) 13.294 14.820 ( 14.926 2.665 16.155) 22.155 15.338 ( 0.032 0.909 4.219) 4.316 16.457 ( 13.377 20.789 -17.496) 30.286 18.358 ( -6.997 -3.531 7.116) 10.586 18.546 ( -13.044 -8.540 5.458) 16.518 18.657 ( -4.610 0.060 -2.435) 5.214 18.932 ( 7.883 0.335 -0.874) 7.938 18.988 ( 3.623 -2.343 1.929) 4.726 19.866 ( 3.548 0.237 -12.902) 13.383 22.758 ( -0.631 -1.033 3.171) 3.394 23.438 ( -6.613 -13.516 7.469) 16.799 ======================= Grid point 129 (43/116) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 1.795 31.641 15.730) 35.381 2.821 ( 8.546 10.878 18.145) 22.817 2.905 ( 4.208 14.302 19.355) 24.431 4.056 ( -2.681 -3.133 10.607) 11.380 4.259 ( -4.802 4.225 13.151) 14.624 4.800 ( -2.919 0.455 -9.940) 10.370 4.918 ( 5.728 12.455 6.018) 14.971 4.989 ( 21.534 18.498 20.237) 34.863 5.739 ( 6.932 9.754 -1.798) 12.101 5.858 ( -4.330 -1.869 4.421) 6.464 6.325 ( 6.376 -2.182 0.727) 6.778 6.457 ( 10.138 4.305 15.783) 19.246 7.019 ( 15.949 -3.035 11.315) 19.790 7.398 ( 10.699 14.583 -2.048) 18.202 8.667 ( -13.431 -12.107 -18.620) 25.955 8.782 ( -8.132 -7.984 -20.528) 23.480 9.257 ( -8.004 -8.116 -14.784) 18.668 9.572 ( -1.940 1.563 -2.430) 3.480 10.024 ( 4.467 2.558 0.047) 5.148 10.179 ( -4.840 4.981 3.800) 7.917 10.485 ( 0.364 -5.661 -3.851) 6.856 10.852 ( -0.306 -2.286 3.620) 4.292 10.998 ( 2.456 -1.092 1.317) 2.994 11.083 ( 3.377 0.683 5.867) 6.804 11.221 ( -0.899 6.198 6.635) 9.124 11.299 ( 5.006 7.860 0.497) 9.332 12.911 ( -2.331 -8.004 5.108) 9.776 13.485 ( -18.342 -0.453 22.122) 28.741 13.759 ( 7.529 5.480 -4.758) 10.457 14.531 ( -4.082 -4.150 8.125) 9.995 14.587 ( -4.227 4.923 11.298) 13.029 15.183 ( 11.036 0.180 11.939) 16.260 15.412 ( 2.588 7.025 6.682) 10.035 16.695 ( 10.160 9.483 -14.947) 20.410 18.157 ( -15.141 -7.722 2.748) 17.217 18.271 ( -12.791 -7.939 12.163) 19.354 18.575 ( -2.927 0.809 -4.256) 5.228 18.945 ( 0.506 -4.814 -0.232) 4.846 19.202 ( 12.530 4.949 3.368) 13.887 19.802 ( 1.342 -2.976 -13.517) 13.906 22.747 ( -1.197 -1.257 1.693) 2.425 23.259 ( -6.521 -9.149 5.898) 12.689 ======================= Grid point 130 (44/116) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -0.435 24.735 11.580) 27.315 3.084 ( 7.136 12.990 1.567) 14.904 3.311 ( 4.683 3.894 33.575) 34.123 3.974 ( -10.642 -5.562 12.498) 17.332 4.219 ( -13.763 4.401 14.334) 20.353 4.657 ( -5.399 -1.150 -4.208) 6.941 4.882 ( -1.779 5.645 -5.229) 7.898 5.810 ( -2.246 0.673 2.799) 3.651 5.963 ( 28.902 17.210 12.704) 35.957 6.024 ( 16.003 10.982 -2.581) 19.580 6.415 ( 7.105 -0.647 0.905) 7.192 6.736 ( 7.966 -0.264 11.212) 13.756 7.198 ( -1.048 -2.212 11.092) 11.359 7.809 ( 19.098 9.879 -2.543) 21.652 8.123 ( -16.327 -12.987 -16.199) 26.413 8.457 ( -4.817 -4.780 -17.610) 18.872 8.958 ( -7.012 -5.642 -12.430) 15.346 9.548 ( -1.260 1.569 -0.747) 2.147 10.014 ( -6.787 -4.478 3.226) 8.747 10.205 ( 2.489 6.641 -2.831) 7.636 10.406 ( 0.696 -6.975 -0.922) 7.070 10.837 ( -0.639 -3.104 1.540) 3.524 11.053 ( 2.203 0.309 2.650) 3.460 11.161 ( 0.946 0.933 3.231) 3.493 11.260 ( -6.830 7.485 2.383) 10.409 11.487 ( 10.315 4.969 -3.500) 11.972 12.855 ( -0.427 -10.245 9.757) 14.154 13.297 ( -17.850 3.134 13.014) 22.312 13.913 ( 5.638 2.801 -0.907) 6.361 14.462 ( -2.597 -4.323 3.886) 6.367 14.640 ( -5.546 6.500 10.064) 13.202 15.293 ( 1.788 -3.476 2.915) 4.876 15.696 ( 7.053 11.558 11.511) 17.772 16.788 ( 3.991 4.445 -13.459) 14.725 17.824 ( -14.351 -9.781 6.831) 18.662 18.102 ( -8.390 -5.502 9.436) 13.774 18.519 ( -1.728 1.467 -2.992) 3.754 18.892 ( -0.310 -4.437 -1.509) 4.697 19.490 ( 11.122 3.292 5.487) 12.831 19.685 ( 0.437 -2.329 -13.377) 13.585 22.719 ( -1.272 -1.056 -0.090) 1.656 23.111 ( -5.674 -6.518 3.429) 9.297 ======================= Grid point 131 (45/116) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -8.888 10.813 7.463) 15.862 3.376 ( 3.123 8.117 7.499) 11.483 3.418 ( -7.572 -2.850 13.870) 16.058 3.938 ( -3.952 3.452 22.373) 22.980 4.066 ( -19.425 4.077 13.979) 24.277 4.603 ( 1.509 0.549 2.757) 3.190 4.896 ( 0.885 1.910 -1.500) 2.585 5.789 ( -3.375 2.691 0.461) 4.341 6.254 ( 8.949 -0.958 -7.011) 11.409 6.364 ( 9.446 4.885 -5.421) 11.936 6.587 ( 0.390 -5.084 -1.763) 5.396 6.803 ( -7.271 -5.731 -0.885) 9.301 7.042 ( -21.956 -6.101 -2.694) 22.947 7.684 ( 7.687 1.821 4.905) 9.298 8.294 ( 11.954 -1.012 -5.638) 13.256 8.433 ( 17.521 9.425 -5.063) 20.529 8.772 ( -3.072 -1.226 -3.070) 4.513 9.548 ( 0.604 -0.255 0.541) 0.851 9.881 ( -2.909 -1.983 -1.119) 3.694 10.288 ( 0.765 5.712 -2.540) 6.298 10.369 ( 1.899 -5.795 3.567) 7.065 10.775 ( -3.261 -3.308 -1.589) 4.909 11.074 ( -5.278 2.612 2.418) 6.366 11.169 ( -2.250 -0.693 -0.028) 2.355 11.205 ( -3.201 3.581 -0.605) 4.841 11.688 ( 11.391 3.382 -4.663) 12.764 12.735 ( -9.835 -15.747 10.167) 21.168 13.177 ( -8.688 7.044 8.592) 14.104 13.991 ( 2.235 0.544 1.786) 2.912 14.407 ( -1.462 -4.303 0.093) 4.545 14.661 ( -7.172 6.957 8.307) 12.994 15.280 ( -0.053 -4.175 0.679) 4.230 15.875 ( -7.614 5.623 6.912) 11.720 16.782 ( 3.404 5.024 -10.732) 12.329 17.638 ( -3.022 -7.226 7.414) 10.785 18.016 ( -3.874 -3.402 10.029) 11.276 18.511 ( 0.346 2.564 -1.257) 2.877 18.834 ( 0.369 -3.917 -2.936) 4.909 19.490 ( -4.218 -4.042 -6.709) 8.896 19.817 ( 12.876 4.879 0.074) 13.769 22.688 ( -0.719 -0.437 -1.232) 1.492 22.981 ( -4.895 -4.775 1.141) 6.933 ======================= Grid point 132 (46/116) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -17.716 -11.505 9.115) 23.006 3.171 ( -21.599 6.886 11.747) 25.533 3.613 ( -3.172 5.692 1.553) 6.698 3.773 ( -14.914 -0.811 15.069) 21.217 4.140 ( -2.237 3.645 16.905) 17.437 4.749 ( 10.100 0.859 5.671) 11.615 4.934 ( 2.862 0.437 2.589) 3.884 5.760 ( -5.186 4.836 2.670) 7.577 5.933 ( -40.266 -21.116 -13.116) 47.321 6.251 ( -5.697 -10.877 -1.962) 12.435 6.466 ( -9.702 -7.050 -8.100) 14.472 6.516 ( 6.107 4.058 -8.346) 11.109 6.653 ( -16.469 -0.893 -4.354) 17.058 8.062 ( 9.351 5.331 -1.882) 10.927 8.448 ( 16.553 -2.085 0.705) 16.699 8.712 ( 6.464 10.675 1.103) 12.528 8.937 ( 17.424 2.789 1.798) 17.737 9.581 ( 4.297 -1.770 0.879) 4.729 9.901 ( 3.510 2.518 2.940) 5.226 10.288 ( -1.759 2.119 -3.913) 4.785 10.421 ( 3.783 -0.846 5.211) 6.495 10.640 ( -5.810 -2.055 -5.427) 8.212 10.961 ( -9.740 2.273 -0.637) 10.022 11.101 ( -3.987 -0.320 -0.657) 4.054 11.226 ( 2.309 0.296 -0.222) 2.339 11.875 ( 9.509 2.249 -1.070) 9.830 12.363 ( -19.669 -14.520 3.887) 24.755 13.223 ( -1.724 4.031 9.664) 10.612 14.051 ( 2.842 -0.366 3.586) 4.591 14.302 ( -3.779 -6.347 -2.296) 7.735 14.643 ( -9.685 7.763 7.239) 14.369 15.210 ( -1.946 -8.532 -0.588) 8.771 15.633 ( -22.452 0.282 1.839) 22.529 16.926 ( 10.701 9.842 -8.643) 16.914 17.641 ( 3.370 -6.125 8.661) 11.130 18.047 ( 1.854 -0.954 9.645) 9.867 18.565 ( 2.561 3.808 0.392) 4.606 18.792 ( 1.698 -3.202 -4.086) 5.462 19.323 ( -5.921 -2.861 -5.821) 8.782 20.073 ( 11.950 4.098 -1.443) 12.716 22.676 ( 0.230 0.427 -0.630) 0.795 22.866 ( -4.015 -3.383 -0.332) 5.261 ======================= Grid point 133 (47/116) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -22.280 -21.686 16.038) 34.984 2.909 ( -31.863 11.651 11.492) 35.819 3.328 ( -18.823 -5.828 2.091) 19.815 3.845 ( 1.968 -0.510 11.479) 11.657 4.147 ( -5.231 -1.190 2.879) 6.088 4.775 ( -47.139 -18.109 -5.150) 50.759 5.013 ( 3.277 -1.291 4.683) 5.860 5.086 ( 7.911 0.989 6.509) 10.293 5.748 ( -6.709 4.624 5.943) 10.085 5.922 ( -12.046 -9.566 -3.510) 15.778 6.236 ( -14.772 -1.162 -2.479) 15.023 6.367 ( -5.466 -4.450 -6.946) 9.896 6.563 ( -0.064 4.434 -6.206) 7.628 7.936 ( -13.291 -3.234 -6.900) 15.320 8.833 ( 22.136 2.522 -1.525) 22.331 9.023 ( 14.934 9.615 0.069) 17.761 9.214 ( 11.782 0.908 0.273) 11.820 9.660 ( 4.750 -1.387 1.339) 5.127 10.008 ( 2.474 -3.259 6.549) 7.722 10.227 ( -6.148 3.337 -0.425) 7.008 10.498 ( -1.963 -0.338 -4.896) 5.286 10.574 ( 8.047 2.949 1.683) 8.735 10.807 ( -9.241 0.308 1.250) 9.330 11.029 ( -3.951 0.222 0.090) 3.958 11.267 ( 3.520 0.395 -5.042) 6.162 11.885 ( -22.013 -10.872 1.092) 24.576 12.054 ( 7.629 1.848 5.960) 9.856 13.290 ( -0.614 0.118 8.521) 8.544 14.113 ( -0.184 -7.627 3.331) 8.325 14.154 ( -1.325 -0.321 -1.115) 1.761 14.587 ( -11.849 8.757 7.298) 16.442 14.954 ( -14.079 -14.251 -1.444) 20.085 15.355 ( -10.682 3.279 1.275) 11.247 17.143 ( 9.774 9.987 -12.144) 18.514 17.734 ( 6.154 -6.038 12.666) 15.322 18.164 ( 5.294 -1.276 6.922) 8.808 18.672 ( 3.917 4.745 1.638) 6.368 18.774 ( 2.742 -2.374 -4.594) 5.854 19.162 ( -6.514 -1.147 -3.740) 7.599 20.272 ( 10.088 3.301 -7.294) 12.879 22.704 ( 1.271 1.441 2.806) 3.401 22.778 ( -2.603 -2.182 -0.070) 3.397 ======================= Grid point 134 (48/116) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -22.237 -22.317 27.275) 41.671 2.417 ( -39.284 -2.772 7.845) 40.156 2.969 ( -17.221 -6.200 0.409) 18.308 3.644 ( -59.142 -4.503 7.391) 59.772 3.928 ( -1.210 -4.963 8.048) 9.532 4.064 ( -4.268 0.636 3.691) 5.678 5.170 ( 6.839 -1.701 2.669) 7.535 5.210 ( 1.513 -4.768 -2.101) 5.426 5.639 ( -4.747 -1.146 6.247) 7.929 5.814 ( -1.209 2.332 1.640) 3.097 5.939 ( -13.730 -2.102 2.102) 14.048 6.257 ( -2.244 -0.157 -2.049) 3.043 6.536 ( -5.762 7.997 -3.186) 10.358 7.574 ( -19.066 -3.557 -5.836) 20.254 9.170 ( 17.432 2.214 -5.996) 18.567 9.328 ( 12.901 5.161 -4.831) 14.711 9.389 ( 9.302 -0.870 -0.266) 9.346 9.702 ( 1.652 -1.631 -1.625) 2.834 9.982 ( -2.245 -4.041 1.824) 4.970 10.177 ( -4.742 -2.086 10.278) 11.510 10.437 ( -2.600 2.057 -2.898) 4.404 10.690 ( -5.268 0.813 5.378) 7.572 10.790 ( 7.895 2.381 -0.444) 8.258 10.973 ( -3.143 -0.037 0.707) 3.222 11.203 ( -9.978 -1.684 -5.029) 11.300 11.515 ( -6.063 -3.105 -5.996) 9.075 12.283 ( 7.964 2.950 17.581) 19.525 13.312 ( -0.457 -4.344 6.225) 7.605 13.959 ( -4.228 -6.884 -2.161) 8.363 14.237 ( 3.555 0.270 6.475) 7.392 14.517 ( -11.247 4.879 3.225) 12.677 14.567 ( -15.324 -5.449 5.827) 17.276 15.281 ( -3.256 1.007 1.745) 3.829 17.233 ( 2.067 6.895 -20.386) 21.619 17.916 ( 10.004 -4.976 16.138) 19.629 18.269 ( 5.940 -5.060 4.706) 9.112 18.769 ( 2.743 -1.868 -4.846) 5.873 18.806 ( 3.995 5.083 2.583) 6.962 19.035 ( -6.096 1.525 -1.728) 6.517 20.359 ( 5.638 2.346 -17.011) 18.074 22.716 ( -1.497 -0.360 0.282) 1.565 22.831 ( 4.999 1.818 12.573) 13.652 ======================= Grid point 138 (49/116) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 0.000 32.197 18.180) 36.976 2.544 ( 0.000 19.673 16.534) 25.699 2.860 ( 0.000 24.680 9.630) 26.493 3.954 ( 0.000 12.430 31.340) 33.714 4.280 ( 0.000 11.309 32.438) 34.353 4.320 ( 0.000 5.968 -1.793) 6.232 4.988 ( 0.000 5.283 1.512) 5.495 5.045 ( -0.000 12.166 -7.558) 14.322 5.762 ( 0.000 6.827 0.740) 6.867 6.006 ( -0.000 5.905 -6.799) 9.005 6.116 ( 0.000 3.068 7.432) 8.040 6.268 ( 0.000 -14.260 13.442) 19.597 6.498 ( 0.000 1.040 15.810) 15.844 7.295 ( 0.000 10.948 3.125) 11.385 8.884 ( -0.000 -10.310 -17.155) 20.015 8.933 ( -0.000 -9.238 -22.340) 24.174 9.412 ( -0.000 -10.095 -18.460) 21.040 9.617 ( -0.000 2.039 -2.814) 3.475 9.906 ( 0.000 5.287 -2.670) 5.923 10.248 ( 0.000 13.660 -6.179) 14.993 10.512 ( 0.000 -5.462 9.959) 11.358 10.879 ( -0.000 -9.140 -2.122) 9.383 10.950 ( 0.000 -0.195 5.210) 5.214 11.006 ( 0.000 0.802 6.545) 6.594 11.114 ( 0.000 2.856 9.916) 10.319 11.320 ( 0.000 12.765 3.417) 13.214 13.016 ( 0.000 -7.006 6.448) 9.521 13.489 ( 0.000 5.479 1.705) 5.738 14.066 ( 0.000 -6.638 10.665) 12.562 14.619 ( 0.000 -6.712 9.752) 11.839 14.663 ( 0.000 4.735 13.757) 14.549 14.841 ( 0.000 10.673 17.787) 20.744 15.366 ( 0.000 -0.194 4.260) 4.265 16.453 ( -0.000 18.216 -12.380) 22.024 18.459 ( 0.000 -3.823 8.592) 9.405 18.563 ( -0.000 -1.959 -7.585) 7.834 18.785 ( 0.000 -5.382 9.901) 11.269 18.831 ( -0.000 2.399 -1.989) 3.116 18.888 ( -0.000 -5.646 0.914) 5.720 19.737 ( -0.000 -3.215 -11.604) 12.041 22.772 ( 0.000 -1.797 3.130) 3.609 23.393 ( -0.000 -13.708 5.340) 14.711 ======================= Grid point 139 (50/116) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -3.008 27.531 11.707) 30.067 2.915 ( 5.120 17.259 9.233) 20.232 3.202 ( 0.108 20.132 22.382) 30.104 4.149 ( -0.434 2.160 10.789) 11.012 4.366 ( 1.671 7.205 -1.886) 7.633 4.876 ( 2.643 12.551 15.089) 19.804 5.005 ( 6.917 12.567 23.786) 27.777 5.108 ( -3.878 14.538 -5.482) 16.014 5.795 ( -2.764 9.615 -1.441) 10.108 5.968 ( -5.403 0.178 5.389) 7.633 6.190 ( 5.173 -4.676 1.856) 7.216 6.388 ( 11.797 -0.822 10.231) 15.637 6.795 ( 15.578 2.107 17.535) 23.550 7.410 ( 2.356 6.956 0.227) 7.347 8.604 ( -7.026 -11.469 -16.920) 21.615 8.650 ( -3.847 -9.180 -22.592) 24.687 9.147 ( -3.305 -8.486 -20.761) 22.671 9.607 ( -1.352 2.482 -2.482) 3.762 9.982 ( 3.963 5.524 -1.568) 6.978 10.329 ( -2.093 8.932 0.255) 9.178 10.441 ( -6.460 -11.029 1.374) 12.856 10.744 ( 4.535 -10.073 -2.983) 11.442 11.004 ( 1.190 0.993 1.790) 2.368 11.066 ( 2.486 -0.934 7.683) 8.129 11.265 ( 2.688 5.300 7.501) 9.570 11.471 ( -3.298 15.208 5.437) 16.484 12.947 ( -4.445 -6.422 6.539) 10.186 13.630 ( 8.004 4.854 1.111) 9.427 13.925 ( -15.665 -2.128 11.206) 19.378 14.577 ( -2.534 -7.899 5.803) 10.124 14.800 ( -2.016 7.206 11.759) 13.938 15.142 ( 5.550 7.112 14.258) 16.873 15.438 ( 5.415 3.925 5.455) 8.630 16.575 ( 5.422 10.344 -9.950) 15.343 18.334 ( -11.888 -3.975 0.115) 12.535 18.460 ( -7.144 -6.882 6.197) 11.696 18.655 ( -8.704 -1.082 1.870) 8.968 18.840 ( 4.296 -6.453 -1.161) 7.839 19.053 ( 11.685 3.193 3.515) 12.614 19.638 ( 2.525 -5.526 -11.503) 13.009 22.763 ( -0.898 -2.208 2.249) 3.277 23.274 ( -3.016 -10.767 3.955) 11.861 ======================= Grid point 140 (51/116) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 0.640 24.675 9.638) 26.498 3.160 ( 1.179 14.872 3.355) 15.291 3.529 ( 0.570 8.437 26.421) 27.741 4.190 ( -5.941 1.901 13.208) 14.606 4.468 ( 1.671 5.758 1.248) 6.124 4.706 ( -11.594 -1.181 -2.308) 11.880 5.091 ( -11.708 13.810 -2.068) 18.223 5.771 ( 22.521 15.955 16.835) 32.329 5.902 ( 7.338 9.711 -3.791) 12.748 5.939 ( -4.471 1.790 10.288) 11.359 6.277 ( 8.490 -1.988 3.084) 9.249 6.634 ( 9.763 -2.526 7.251) 12.421 7.188 ( 11.231 -1.611 17.188) 20.595 7.581 ( 13.654 8.368 -2.972) 16.288 8.174 ( -16.021 -13.163 -15.166) 25.689 8.344 ( -4.174 -6.256 -20.810) 22.127 8.896 ( -2.804 -3.189 -16.732) 17.262 9.592 ( -1.949 2.199 -0.537) 2.987 10.077 ( -3.568 -3.271 0.511) 4.868 10.168 ( 0.539 -6.096 -5.819) 8.445 10.369 ( -1.657 1.603 1.444) 2.720 10.768 ( 4.700 -5.564 1.802) 7.503 11.053 ( 1.673 2.070 2.527) 3.670 11.153 ( 3.258 -1.444 4.824) 5.998 11.391 ( 3.751 3.990 0.906) 5.550 11.536 ( -9.525 14.011 1.110) 16.978 12.866 ( -3.045 -8.241 10.300) 13.538 13.695 ( -15.600 2.593 3.279) 16.151 13.831 ( 6.220 1.947 6.314) 9.074 14.478 ( -2.858 -6.933 2.259) 7.832 14.883 ( -5.389 7.767 9.459) 13.373 15.263 ( 0.757 -1.672 4.546) 4.903 15.743 ( 10.328 12.882 9.960) 19.283 16.680 ( 5.060 5.245 -9.143) 11.692 18.031 ( -16.289 -8.198 2.336) 18.384 18.277 ( -11.068 -6.981 10.254) 16.625 18.560 ( -3.207 1.474 -1.821) 3.971 18.812 ( 1.688 -6.786 -2.219) 7.336 19.334 ( 13.755 3.623 3.139) 14.566 19.550 ( 1.858 -4.834 -10.378) 11.598 22.732 ( -1.470 -2.008 1.046) 2.699 23.142 ( -4.021 -7.844 2.264) 9.101 ======================= Grid point 141 (52/116) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( -10.627 8.681 6.847) 15.335 3.433 ( 7.032 14.958 5.336) 17.369 3.672 ( -8.116 2.826 14.863) 17.168 4.213 ( -6.265 4.551 17.603) 19.231 4.473 ( -9.955 1.303 8.234) 12.984 4.586 ( 0.736 0.474 -2.551) 2.697 4.978 ( -11.287 7.722 -0.499) 13.685 5.945 ( -5.129 3.783 10.503) 12.285 6.043 ( 9.377 2.077 -8.287) 12.685 6.196 ( 10.420 2.445 -2.451) 10.980 6.493 ( 4.459 -2.095 -1.285) 5.091 6.788 ( 6.778 0.227 6.851) 9.640 7.307 ( -8.896 -1.735 4.540) 10.137 7.650 ( -9.069 -10.213 -4.663) 14.433 8.016 ( 20.359 5.290 -0.077) 21.035 8.168 ( 7.185 -1.164 -14.666) 16.372 8.800 ( -0.648 5.697 -6.167) 8.420 9.547 ( -3.286 -4.610 0.298) 5.669 9.865 ( -1.533 -6.081 -5.035) 8.042 10.267 ( 5.797 0.591 1.181) 5.946 10.345 ( -2.476 2.235 -1.450) 3.638 10.769 ( -0.303 -4.883 1.751) 5.196 11.130 ( 1.990 0.961 4.421) 4.942 11.194 ( -0.096 -0.972 1.716) 1.975 11.438 ( -14.347 10.404 -2.441) 17.890 11.514 ( 8.293 2.893 -2.920) 9.256 12.786 ( -5.070 -12.792 11.422) 17.883 13.486 ( -13.931 4.389 3.207) 14.954 13.965 ( 3.529 0.424 4.127) 5.447 14.389 ( -1.662 -4.587 -0.773) 4.940 14.910 ( -6.412 7.160 7.374) 12.115 15.254 ( -0.914 -3.603 1.229) 3.915 16.064 ( 2.551 11.647 8.159) 14.448 16.718 ( 2.187 4.277 -9.595) 10.730 17.712 ( -11.449 -10.362 6.202) 16.641 18.122 ( -6.717 -5.368 7.778) 11.594 18.538 ( -0.822 2.474 -0.075) 2.608 18.748 ( 1.042 -6.124 -3.626) 7.193 19.457 ( -1.169 -3.114 -6.176) 7.014 19.623 ( 14.080 3.543 -0.301) 14.522 22.696 ( -1.260 -1.156 0.406) 1.757 23.015 ( -4.278 -5.493 0.586) 6.987 ======================= Grid point 142 (53/116) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -19.678 -6.194 9.373) 22.659 3.589 ( -12.406 7.524 3.966) 15.041 3.686 ( 3.094 6.945 8.727) 11.574 4.176 ( -16.618 0.074 5.552) 17.521 4.349 ( -7.786 -2.095 5.412) 9.711 4.645 ( 4.564 3.060 3.591) 6.564 4.921 ( -0.962 -0.681 7.834) 7.922 5.962 ( -5.213 3.172 7.952) 10.023 6.067 ( -2.834 -4.122 -5.608) 7.515 6.293 ( -9.951 -9.153 -5.454) 14.579 6.378 ( 8.980 2.130 -2.574) 9.581 6.676 ( -26.462 -2.590 -3.959) 26.882 6.880 ( -14.866 -1.419 -5.621) 15.956 7.877 ( 20.467 5.509 3.962) 21.563 8.136 ( 10.616 -4.033 -7.471) 13.593 8.544 ( 23.521 5.000 -2.807) 24.210 8.846 ( -1.864 6.802 3.647) 7.940 9.454 ( 4.349 -7.176 -2.719) 8.820 9.875 ( 4.151 2.478 0.548) 4.866 10.264 ( -0.297 -3.934 -2.765) 4.818 10.413 ( 3.028 6.327 0.814) 7.062 10.687 ( -4.617 -3.794 -0.324) 5.985 11.142 ( -5.640 0.235 -0.771) 5.697 11.186 ( 0.339 -0.328 4.078) 4.105 11.260 ( -12.409 6.265 -2.625) 14.146 11.703 ( 11.853 1.184 0.605) 11.927 12.546 ( -14.042 -13.734 5.572) 20.417 13.381 ( -6.281 2.890 4.538) 8.270 14.032 ( 1.796 -1.380 4.851) 5.353 14.299 ( -3.244 -3.091 -2.901) 5.337 14.915 ( -6.908 7.509 6.189) 11.933 15.172 ( -3.055 -6.999 -0.517) 7.654 16.043 ( -18.941 2.747 5.185) 19.829 16.807 ( 8.488 10.118 -8.212) 15.552 17.569 ( 0.603 -10.162 7.927) 12.902 18.055 ( -0.478 -4.610 4.578) 6.515 18.580 ( 1.295 3.870 1.821) 4.469 18.690 ( 1.838 -4.666 -4.053) 6.448 19.359 ( -4.091 -0.508 -3.798) 5.605 19.876 ( 12.881 2.724 -3.101) 13.526 22.682 ( -0.184 0.141 1.297) 1.318 22.898 ( -4.020 -3.573 -0.576) 5.409 ======================= Grid point 143 (54/116) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -24.350 -10.749 15.336) 30.719 3.443 ( -14.079 4.654 0.610) 14.841 3.666 ( -25.257 -3.025 -0.853) 25.452 3.889 ( -2.687 -5.808 9.610) 11.546 4.203 ( -4.425 -7.042 -4.374) 9.397 4.819 ( 8.616 0.559 5.052) 10.004 5.016 ( 4.606 -3.653 10.986) 12.460 5.563 ( -41.238 -2.035 1.136) 41.304 5.943 ( -6.564 -1.207 6.311) 9.186 6.024 ( -12.322 -5.158 -2.105) 13.523 6.330 ( -7.838 4.650 -1.503) 9.237 6.533 ( 4.443 5.458 -1.493) 7.194 6.606 ( -15.486 2.097 -2.527) 15.830 8.056 ( -5.501 3.675 -6.761) 9.459 8.398 ( 26.656 -2.421 -4.851) 27.202 8.846 ( 11.116 2.733 -5.631) 12.757 8.991 ( 13.534 0.223 2.813) 13.825 9.535 ( 8.311 -1.487 0.111) 8.443 9.979 ( 2.467 -2.010 5.046) 5.965 10.238 ( 4.603 2.719 -8.073) 9.682 10.509 ( -2.713 -2.008 5.680) 6.607 10.570 ( -1.420 3.583 -2.923) 4.837 11.006 ( -10.099 2.353 1.062) 10.424 11.129 ( -6.409 1.094 -0.286) 6.508 11.206 ( 0.425 -0.046 0.798) 0.905 11.915 ( 8.397 -2.052 2.038) 8.882 12.183 ( -16.017 -6.082 5.033) 17.857 13.346 ( -2.205 -3.349 4.603) 6.104 14.066 ( 1.039 -4.309 2.915) 5.304 14.200 ( -3.910 1.341 -0.441) 4.157 14.887 ( -9.397 4.755 3.252) 11.022 15.006 ( -6.344 -8.271 1.961) 10.607 15.696 ( -22.713 0.616 4.467) 23.156 17.023 ( 8.885 11.488 -8.701) 16.930 17.604 ( 7.432 -10.475 9.899) 16.216 18.062 ( 4.716 -5.544 0.173) 7.280 18.666 ( 2.864 -2.412 -3.003) 4.800 18.679 ( 2.966 4.394 2.342) 5.796 19.260 ( -6.227 2.029 -0.922) 6.613 20.065 ( 10.731 2.149 -8.231) 13.694 22.719 ( 1.625 1.571 4.244) 4.808 22.803 ( -3.111 -2.112 -0.657) 3.817 ======================= Grid point 144 (55/116) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -24.210 -8.835 24.835) 35.791 2.987 ( -36.115 -15.051 -3.964) 39.326 3.203 ( -15.249 -1.588 -1.711) 15.426 3.905 ( -0.060 -6.517 8.578) 10.773 4.054 ( -0.953 -6.202 -2.048) 6.600 4.817 ( -46.081 10.990 17.912) 50.646 5.013 ( 5.583 -3.249 0.590) 6.486 5.094 ( 1.161 -6.156 1.220) 6.383 5.821 ( -9.059 3.552 2.321) 10.004 5.846 ( -4.688 -3.639 3.452) 6.866 6.209 ( -14.466 3.074 -1.711) 14.887 6.412 ( -8.669 6.888 5.286) 12.269 6.668 ( 0.575 8.933 4.018) 9.812 7.836 ( -16.618 3.688 -7.268) 18.509 8.766 ( 23.971 -2.226 -9.586) 25.912 9.020 ( 14.627 -1.820 -10.255) 17.957 9.225 ( 12.203 -1.105 0.332) 12.257 9.629 ( 3.792 -1.576 -0.664) 4.160 9.970 ( -0.320 -4.918 2.770) 5.653 10.301 ( -4.818 -0.430 2.338) 5.373 10.430 ( 4.623 2.166 -6.389) 8.178 10.664 ( 2.933 1.555 5.409) 6.347 10.904 ( -7.150 2.508 6.567) 10.027 11.046 ( -4.242 0.072 0.867) 4.330 11.216 ( 0.522 2.424 -3.846) 4.576 11.685 ( -17.624 -4.950 -5.272) 19.050 12.280 ( 9.174 2.942 17.162) 19.681 13.287 ( -0.730 -9.468 3.737) 10.204 13.991 ( -4.967 -0.998 -2.910) 5.843 14.234 ( 2.134 1.237 6.679) 7.120 14.648 ( -11.775 -10.585 -0.534) 15.842 14.924 ( -10.236 7.904 10.083) 16.399 15.427 ( -12.243 0.066 4.064) 12.900 17.160 ( 2.781 9.043 -13.633) 16.595 17.743 ( 12.040 -10.901 12.779) 20.667 18.095 ( 7.102 -6.968 -2.218) 10.193 18.670 ( 2.861 -2.479 -3.179) 4.943 18.807 ( 3.876 4.786 2.630) 6.697 19.182 ( -7.069 4.777 1.865) 8.733 20.162 ( 7.169 1.800 -14.480) 16.257 22.742 ( -1.884 -0.302 -0.557) 1.988 22.839 ( 4.873 1.464 9.897) 11.128 ======================= Grid point 149 (56/116) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( 0.000 13.974 3.586) 14.426 3.168 ( 0.000 17.142 15.273) 22.959 3.546 ( 0.000 21.725 13.414) 25.533 4.265 ( 0.000 5.152 10.275) 11.494 4.399 ( -0.000 11.986 -9.388) 15.225 5.095 ( 0.000 0.668 2.366) 2.459 5.166 ( 0.000 17.810 9.955) 20.403 5.344 ( 0.000 23.089 20.053) 30.582 5.930 ( 0.000 6.295 2.263) 6.689 6.032 ( -0.000 2.284 -5.808) 6.241 6.200 ( 0.000 -10.381 17.528) 20.372 6.230 ( 0.000 2.147 4.665) 5.135 6.839 ( 0.000 4.029 21.782) 22.151 7.424 ( -0.000 1.055 -1.800) 2.087 8.438 ( -0.000 -8.029 -22.242) 23.647 8.449 ( -0.000 -10.468 -14.786) 18.116 8.948 ( -0.000 -5.578 -22.053) 22.747 9.625 ( -0.000 2.701 -2.790) 3.883 9.993 ( 0.000 6.207 -1.484) 6.382 10.361 ( -0.000 -11.369 -3.343) 11.850 10.511 ( 0.000 -7.610 8.555) 11.449 10.518 ( -0.000 -0.400 -5.905) 5.918 11.003 ( 0.000 -0.091 3.098) 3.099 11.087 ( 0.000 -0.532 4.688) 4.718 11.345 ( 0.000 5.596 4.314) 7.066 11.710 ( 0.000 17.466 5.975) 18.460 12.975 ( 0.000 -6.525 6.193) 8.996 13.601 ( 0.000 4.755 -0.500) 4.782 14.100 ( 0.000 -3.954 8.803) 9.650 14.542 ( -0.000 -8.949 2.320) 9.245 14.941 ( 0.000 4.995 11.753) 12.770 15.372 ( 0.000 18.237 15.583) 23.989 15.394 ( 0.000 -1.525 1.535) 2.164 16.560 ( -0.000 6.386 -6.720) 9.270 18.437 ( -0.000 -0.949 -5.744) 5.822 18.486 ( 0.000 -3.875 7.120) 8.107 18.688 ( -0.000 -7.757 -0.031) 7.757 18.778 ( -0.000 -6.449 0.920) 6.514 18.979 ( 0.000 4.096 6.637) 7.800 19.474 ( -0.000 -6.680 -10.070) 12.085 22.762 ( 0.000 -2.733 2.124) 3.462 23.218 ( -0.000 -9.563 2.436) 9.868 ======================= Grid point 150 (57/116) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 6.446 12.352 2.153) 14.099 3.382 ( -1.287 8.493 12.569) 15.224 3.790 ( -1.210 14.226 9.272) 17.024 4.369 ( -1.689 4.284 9.699) 10.737 4.481 ( 1.085 13.220 -6.462) 14.755 4.932 ( -14.969 -1.860 -1.106) 15.125 5.379 ( -0.707 19.135 -4.116) 19.586 5.774 ( 4.460 11.837 15.139) 19.728 5.906 ( -0.411 5.314 -1.404) 5.512 6.120 ( -5.093 0.767 12.540) 13.556 6.149 ( 8.471 -0.615 7.699) 11.464 6.471 ( 11.693 -2.208 8.816) 14.809 7.089 ( 9.506 -3.160 16.391) 19.210 7.447 ( 6.184 1.945 -3.332) 7.289 8.186 ( -8.854 -9.057 -11.950) 17.414 8.209 ( -2.586 -4.653 -18.511) 19.261 8.789 ( 0.320 2.777 -16.661) 16.893 9.633 ( -0.339 2.784 -1.319) 3.100 10.045 ( -5.926 -18.854 -5.579) 20.535 10.085 ( 2.005 3.226 -0.861) 3.895 10.447 ( -3.026 -0.732 2.965) 4.299 10.632 ( 6.536 -2.087 2.303) 7.238 11.044 ( 2.467 -0.047 2.097) 3.239 11.119 ( 1.580 -1.249 3.590) 4.116 11.413 ( 0.128 4.413 0.339) 4.428 11.851 ( -7.321 17.151 0.700) 18.661 12.910 ( -3.460 -9.031 8.645) 12.971 13.699 ( 5.905 4.342 -4.009) 8.354 14.028 ( -9.757 -2.645 9.887) 14.140 14.447 ( -1.400 -7.815 -0.334) 7.947 15.058 ( -0.989 4.238 8.141) 9.231 15.319 ( -4.378 -0.287 1.818) 4.750 15.764 ( 10.045 16.183 10.206) 21.609 16.590 ( 3.576 1.559 -5.805) 6.994 18.242 ( -14.193 -2.992 -1.953) 14.636 18.443 ( -7.087 -6.013 8.439) 12.554 18.627 ( -4.802 -3.878 -2.654) 6.719 18.678 ( 3.119 -5.600 -0.661) 6.444 19.168 ( 10.715 2.973 2.778) 11.461 19.393 ( 3.634 -4.793 -5.778) 8.340 22.740 ( -0.910 -2.525 1.614) 3.132 23.128 ( -1.930 -7.255 0.941) 7.566 ======================= Grid point 151 (58/116) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.416 ( 0.678 4.152 3.989) 5.798 3.481 ( 3.008 6.376 8.281) 10.875 3.902 ( -3.882 6.879 3.780) 8.756 4.413 ( -2.938 1.165 4.389) 5.409 4.582 ( -0.058 7.190 -3.730) 8.100 4.637 ( -12.403 -1.364 1.345) 12.550 5.386 ( -17.268 11.255 4.870) 21.180 5.847 ( 7.354 2.669 -10.879) 13.400 6.059 ( 5.660 -0.116 1.630) 5.891 6.143 ( -2.349 -0.088 16.633) 16.798 6.387 ( 5.898 -0.157 -0.791) 5.953 6.713 ( 10.354 4.778 8.610) 14.289 7.226 ( 11.370 -12.563 2.866) 17.184 7.715 ( 15.786 5.493 -1.033) 16.747 7.800 ( -16.184 -5.939 -5.965) 18.243 8.041 ( -2.510 0.590 -8.673) 9.049 8.823 ( 3.482 13.541 -6.655) 15.485 9.578 ( -8.665 -11.427 0.946) 14.372 9.755 ( 1.931 -5.294 -5.572) 7.924 10.205 ( 4.320 3.221 0.716) 5.436 10.400 ( -2.482 0.594 -1.033) 2.753 10.709 ( 3.496 -4.815 3.656) 6.984 11.113 ( 3.694 0.254 2.283) 4.350 11.161 ( 2.580 -2.278 2.211) 4.090 11.448 ( 1.311 2.844 -2.285) 3.877 11.797 ( -14.935 14.267 -4.652) 21.171 12.810 ( -3.582 -13.201 10.008) 16.949 13.709 ( -6.676 3.480 -7.872) 10.893 13.970 ( -0.744 -1.752 11.297) 11.457 14.358 ( -0.933 -4.366 -1.910) 4.856 15.087 ( -3.532 2.621 3.982) 5.933 15.265 ( -2.567 -1.607 0.669) 3.101 16.140 ( 8.305 14.055 7.197) 17.841 16.623 ( 4.930 -1.076 -6.503) 8.231 17.916 ( -17.716 -5.972 1.766) 18.778 18.247 ( -10.247 -7.862 4.349) 13.628 18.571 ( -0.173 0.700 0.314) 0.786 18.648 ( 0.854 -4.470 -2.288) 5.094 19.363 ( 7.046 0.540 -7.151) 10.054 19.444 ( 8.567 0.635 4.973) 9.927 22.710 ( -1.154 -1.553 1.393) 2.384 23.026 ( -3.055 -4.901 -0.534) 5.800 ======================= Grid point 152 (59/116) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( -13.732 -4.963 8.470) 16.880 3.688 ( 4.184 2.022 3.250) 5.671 3.855 ( -6.052 2.778 1.836) 6.907 4.284 ( -4.074 -6.755 -12.432) 14.723 4.432 ( -9.920 -3.096 0.298) 10.396 4.680 ( 1.402 3.186 3.387) 4.856 5.173 ( -17.036 -0.017 11.485) 20.545 5.917 ( 3.969 2.170 -9.020) 10.091 6.142 ( 3.675 -3.737 5.710) 7.751 6.263 ( 3.625 4.384 7.383) 9.320 6.332 ( -4.579 -3.288 -1.656) 5.875 6.872 ( 0.474 2.142 -4.005) 4.566 7.269 ( -30.542 2.132 -0.728) 30.625 7.455 ( 25.208 -9.342 -3.991) 27.177 8.003 ( 4.900 2.929 -4.066) 7.009 8.181 ( 19.027 5.976 4.012) 20.343 9.021 ( -0.898 16.091 2.140) 16.257 9.279 ( -1.515 -15.409 -4.149) 16.029 9.823 ( 5.000 3.204 0.808) 5.993 10.222 ( -1.566 -4.516 -1.211) 4.931 10.433 ( 2.936 8.176 -2.087) 8.934 10.698 ( -1.047 -5.873 2.719) 6.556 11.174 ( 1.128 -2.132 2.262) 3.306 11.180 ( 0.491 -1.126 0.576) 1.357 11.527 ( 7.480 0.075 -0.289) 7.486 11.603 ( -16.250 11.021 -4.394) 20.121 12.636 ( -7.517 -13.792 5.271) 16.569 13.536 ( -9.116 0.397 -3.482) 9.766 14.028 ( 0.962 -2.590 6.704) 7.251 14.302 ( -0.992 -0.492 -2.733) 2.949 15.081 ( -2.281 2.436 2.613) 4.239 15.175 ( -4.897 -4.494 -0.810) 6.696 16.328 ( -5.346 2.551 5.249) 7.915 16.696 ( 8.912 6.238 -6.596) 12.722 17.601 ( -11.556 -8.158 4.768) 14.928 18.053 ( -4.941 -6.605 -0.912) 8.298 18.598 ( 1.198 -1.570 -0.784) 2.124 18.619 ( 0.552 1.700 1.228) 2.169 19.390 ( -0.088 1.945 -1.622) 2.534 19.664 ( 11.807 1.690 -0.744) 11.951 22.699 ( -0.321 -0.138 2.197) 2.224 22.923 ( -3.497 -2.815 -1.733) 4.812 ======================= Grid point 153 (60/116) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -20.451 -5.693 12.651) 24.712 3.586 ( -7.865 -7.307 -4.435) 11.616 3.886 ( 1.757 -6.756 7.998) 10.616 4.004 ( -14.540 -2.632 -15.607) 21.492 4.123 ( -9.634 -14.501 -4.035) 17.871 4.764 ( 3.429 0.814 4.406) 5.642 5.015 ( -5.028 -8.853 7.266) 12.508 5.906 ( -2.472 1.372 0.298) 2.843 6.124 ( -8.312 1.875 0.891) 8.567 6.232 ( -5.503 1.335 3.355) 6.582 6.454 ( 4.098 6.085 4.450) 8.581 6.771 ( -29.171 8.041 7.234) 31.111 6.812 ( -6.569 2.504 -4.778) 8.499 7.809 ( 28.874 -8.648 -9.398) 31.572 8.112 ( 2.072 8.631 -1.139) 8.949 8.563 ( 18.268 2.519 -3.639) 18.796 8.925 ( -5.772 -6.106 0.882) 8.448 9.379 ( 10.098 4.914 0.051) 11.230 9.952 ( 3.577 0.268 5.237) 6.347 10.134 ( 0.800 -0.612 -7.631) 7.697 10.563 ( 1.501 3.396 3.170) 4.882 10.608 ( -2.906 -1.529 -1.290) 3.528 11.142 ( -3.437 -0.192 0.145) 3.445 11.155 ( -1.506 -2.355 -1.146) 3.021 11.388 ( -12.769 2.604 3.426) 13.474 11.739 ( 11.681 1.341 1.056) 11.805 12.384 ( -11.030 -6.628 1.708) 12.981 13.370 ( -5.335 -6.357 -0.799) 8.338 14.036 ( 0.155 -3.231 2.529) 4.106 14.280 ( -1.936 3.029 0.016) 3.594 14.986 ( -7.166 -10.059 -1.565) 12.449 15.101 ( -2.375 4.665 2.927) 5.997 16.106 ( -19.612 -3.644 4.184) 20.381 16.922 ( 10.000 9.368 -4.662) 14.474 17.465 ( 1.266 -9.044 5.433) 10.626 17.939 ( 0.459 -5.666 -3.725) 6.796 18.587 ( 1.497 -1.747 -1.483) 2.738 18.698 ( 2.307 4.284 2.506) 5.473 19.387 ( -3.787 4.241 1.822) 5.970 19.849 ( 10.329 1.358 -5.652) 11.852 22.734 ( 1.543 0.921 4.375) 4.730 22.832 ( -3.188 -0.974 -2.427) 4.124 ======================= Grid point 154 (61/116) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -21.579 -3.069 20.882) 30.185 3.233 ( -17.208 -18.737 -6.179) 26.180 3.483 ( -21.817 -3.158 -8.169) 23.509 3.864 ( 0.425 -11.469 -2.090) 11.665 3.940 ( 1.640 -10.606 7.359) 13.013 4.870 ( 5.447 -1.437 3.562) 6.665 4.886 ( 1.075 -12.609 -3.769) 13.204 5.860 ( -9.738 3.881 4.597) 11.446 5.969 ( -29.093 13.648 10.788) 33.897 6.096 ( -10.513 7.471 5.868) 14.169 6.429 ( -9.099 5.715 -1.241) 10.816 6.646 ( -6.818 3.611 -0.894) 7.767 6.783 ( -0.540 6.990 12.731) 14.534 8.048 ( 4.058 -0.632 -7.109) 8.210 8.226 ( 15.115 1.910 -10.146) 18.304 8.720 ( 8.070 -2.658 -9.476) 12.728 8.962 ( 13.756 -4.386 -0.804) 14.460 9.545 ( 4.955 0.944 0.046) 5.045 9.950 ( -1.166 -5.025 2.418) 5.697 10.228 ( 9.837 4.821 -3.845) 11.610 10.435 ( -7.177 -4.935 -1.008) 8.768 10.701 ( 1.816 4.652 3.343) 6.010 11.060 ( -4.888 -1.255 0.945) 5.134 11.105 ( -2.634 1.381 0.435) 3.006 11.273 ( -5.391 -1.439 4.992) 7.487 11.827 ( -5.021 1.150 -6.953) 8.654 12.298 ( 2.845 2.134 11.899) 12.419 13.219 ( -2.090 -11.533 1.377) 11.802 14.016 ( -0.645 -0.981 -1.065) 1.585 14.295 ( -1.373 3.275 3.742) 5.159 14.720 ( -9.677 -11.528 -0.237) 15.053 15.138 ( -1.979 5.529 4.171) 7.203 15.753 ( -20.156 -2.722 6.395) 21.321 17.094 ( 5.591 5.132 -7.926) 10.973 17.514 ( 8.941 -8.216 6.238) 13.651 17.907 ( 4.750 -5.089 -2.576) 7.423 18.589 ( 1.807 -1.967 -1.645) 3.137 18.803 ( 3.265 4.028 1.565) 5.415 19.376 ( -5.894 6.139 4.587) 9.668 19.959 ( 7.593 0.968 -10.707) 13.162 22.764 ( -1.957 -0.689 -1.289) 2.443 22.834 ( 3.938 1.853 6.168) 7.549 ======================= Grid point 160 (62/116) ======================= q-point: ( 0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 0.000 6.712 -0.253) 6.717 3.522 ( 0.000 0.440 12.768) 12.775 3.941 ( 0.000 10.941 -2.901) 11.319 4.462 ( 0.000 1.849 4.137) 4.532 4.587 ( 0.000 14.011 -4.566) 14.736 5.069 ( -0.000 -2.212 -1.372) 2.603 5.475 ( 0.000 20.140 -10.075) 22.519 5.906 ( -0.000 -7.615 0.460) 7.629 5.966 ( 0.000 7.928 6.240) 10.090 6.127 ( 0.000 8.576 4.726) 9.792 6.337 ( 0.000 -2.917 14.806) 15.091 6.343 ( 0.000 -1.924 13.694) 13.829 7.001 ( -0.000 -15.419 4.837) 16.160 7.401 ( 0.000 4.220 -0.018) 4.220 8.109 ( -0.000 0.748 -9.012) 9.043 8.132 ( -0.000 -3.992 -7.321) 8.338 8.754 ( -0.000 11.504 -11.235) 16.080 9.646 ( -0.000 2.690 -1.983) 3.342 9.876 ( -0.000 -21.186 -3.548) 21.481 10.100 ( 0.000 5.986 -0.873) 6.050 10.450 ( 0.000 -9.108 6.851) 11.397 10.600 ( 0.000 4.169 -0.853) 4.255 11.026 ( 0.000 -1.152 1.860) 2.188 11.114 ( 0.000 -1.090 1.673) 1.997 11.449 ( 0.000 3.111 -1.425) 3.421 12.088 ( 0.000 17.910 -3.666) 18.281 12.891 ( -0.000 -12.654 7.016) 14.468 13.656 ( -0.000 3.222 -3.196) 4.538 14.133 ( 0.000 -3.548 6.105) 7.062 14.378 ( -0.000 -5.973 -1.951) 6.283 15.146 ( 0.000 1.779 5.984) 6.242 15.339 ( -0.000 -2.426 -2.804) 3.708 15.920 ( 0.000 17.873 10.018) 20.489 16.508 ( -0.000 -3.959 -5.563) 6.828 18.385 ( -0.000 1.484 -2.298) 2.735 18.473 ( -0.000 -8.994 -6.629) 11.173 18.507 ( 0.000 -2.379 4.609) 5.186 18.677 ( -0.000 -5.168 1.807) 5.475 19.107 ( 0.000 1.361 0.840) 1.599 19.305 ( 0.000 -1.603 2.914) 3.326 22.734 ( 0.000 -2.310 1.627) 2.825 23.082 ( -0.000 -5.528 -0.500) 5.550 ======================= Grid point 161 (63/116) ======================= q-point: ( 0.60 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( 8.803 2.403 -2.232) 9.394 3.566 ( -1.484 -5.043 10.837) 12.045 3.983 ( -0.675 4.686 -6.236) 7.829 4.443 ( -2.888 -2.776 -3.827) 5.540 4.646 ( -1.138 6.781 -6.670) 9.579 4.897 ( -14.454 1.020 0.885) 14.517 5.659 ( 6.458 14.727 -10.412) 19.157 5.764 ( -9.302 -4.415 0.647) 10.317 6.037 ( -0.996 1.143 2.247) 2.711 6.221 ( 1.994 -8.152 12.585) 15.127 6.304 ( 1.844 -1.286 5.995) 6.403 6.608 ( 13.707 3.427 -0.091) 14.129 6.861 ( 5.969 -22.371 -4.021) 23.500 7.524 ( 8.892 3.332 1.444) 9.605 8.006 ( -10.315 2.146 -1.369) 10.625 8.125 ( -2.202 8.950 5.224) 10.595 8.865 ( 3.469 15.211 -5.309) 16.480 9.602 ( -8.835 -13.648 -0.982) 16.288 9.686 ( 2.388 3.364 0.315) 4.137 10.183 ( 3.029 4.752 -0.712) 5.680 10.404 ( -0.111 -6.274 3.533) 7.202 10.640 ( 2.127 -0.782 0.736) 2.383 11.049 ( 3.182 -1.635 0.900) 3.689 11.122 ( 1.380 -1.517 0.894) 2.237 11.449 ( -0.422 1.331 -3.512) 3.779 12.124 ( -10.214 15.281 -8.395) 20.207 12.767 ( -1.945 -17.031 6.305) 18.265 13.693 ( 2.821 2.640 -6.925) 7.930 14.083 ( -4.959 -3.547 7.268) 9.487 14.318 ( -0.548 -2.320 -2.307) 3.317 15.141 ( -1.438 -2.861 -0.653) 3.268 15.295 ( -1.942 -0.123 -0.987) 2.182 16.186 ( 6.149 9.457 6.712) 13.126 16.452 ( 4.674 -4.583 -6.600) 9.296 18.170 ( -14.790 -0.971 -4.076) 15.372 18.343 ( -8.343 -8.084 -1.506) 11.715 18.545 ( 2.743 1.173 0.931) 3.125 18.632 ( -1.153 -1.943 1.275) 2.594 19.183 ( 8.181 -0.143 -2.527) 8.563 19.400 ( 4.275 2.025 9.060) 10.220 22.721 ( -0.566 -1.394 1.554) 2.163 23.015 ( -1.547 -3.449 -1.984) 4.269 ======================= Grid point 162 (64/116) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( 0.165 -7.125 -1.551) 7.294 3.593 ( 6.315 -4.869 5.373) 9.615 3.898 ( -4.063 -6.773 -5.661) 9.717 4.258 ( -7.305 -3.637 -10.037) 12.935 4.534 ( -8.536 -4.895 -9.173) 13.452 4.752 ( -5.220 3.504 4.230) 7.578 5.481 ( -16.111 -7.213 -1.300) 17.700 5.823 ( 7.123 8.357 -7.449) 13.269 6.036 ( 2.261 -6.909 5.930) 9.381 6.274 ( 1.716 -6.059 7.602) 9.872 6.380 ( 2.642 4.278 3.989) 6.418 6.729 ( 8.342 -16.171 -8.699) 20.168 6.873 ( 21.297 -4.826 -12.073) 24.952 7.757 ( 2.038 7.112 3.437) 8.158 7.825 ( -8.555 5.125 5.075) 11.190 8.256 ( -2.223 12.172 11.598) 16.959 9.041 ( 6.522 2.823 -3.404) 7.880 9.343 ( -12.471 3.126 1.458) 12.939 9.802 ( 4.007 5.526 3.728) 7.778 10.207 ( -1.892 -3.140 -1.390) 3.920 10.430 ( 4.208 4.447 -0.341) 6.132 10.652 ( 1.210 -5.180 1.982) 5.677 11.111 ( 5.101 -2.171 0.280) 5.551 11.139 ( 1.776 -2.388 1.170) 3.198 11.432 ( 1.940 -0.016 -4.670) 5.057 11.954 ( -16.044 8.853 -6.530) 19.453 12.595 ( -2.124 -15.451 1.626) 15.680 13.631 ( -5.868 0.297 -9.067) 10.804 14.047 ( -1.355 -4.437 8.586) 9.759 14.284 ( 0.281 0.904 -3.692) 3.812 15.090 ( 0.336 -3.568 -1.495) 3.883 15.218 ( -4.474 -2.231 -2.284) 5.496 16.288 ( 6.567 -13.246 -2.062) 14.928 16.584 ( 8.275 11.449 -0.182) 14.128 17.849 ( -18.746 -1.267 -1.513) 18.849 18.096 ( -9.040 -5.521 -2.596) 10.906 18.580 ( -0.741 -0.018 0.927) 1.187 18.640 ( 1.487 2.596 1.212) 3.228 19.317 ( 8.587 0.481 -2.778) 9.038 19.569 ( 4.544 3.600 8.478) 10.270 22.717 ( -0.185 -0.200 2.029) 2.047 22.937 ( -2.569 -1.423 -3.382) 4.479 ======================= Grid point 163 (65/116) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( -5.147 -9.405 -2.630) 11.039 3.558 ( -6.932 -13.354 -4.734) 15.773 3.730 ( 3.293 -14.594 3.869) 15.453 4.035 ( -7.459 -7.848 -3.125) 11.269 4.205 ( -12.384 -6.993 -12.534) 18.957 4.769 ( -0.125 1.001 4.891) 4.994 5.108 ( -14.170 -10.407 -2.773) 17.798 5.923 ( 1.266 0.141 0.880) 1.548 6.125 ( 10.785 -0.165 -0.879) 10.822 6.250 ( -1.453 -1.600 0.972) 2.370 6.526 ( 3.064 7.513 4.310) 9.187 6.729 ( 12.220 -11.095 -5.205) 17.306 7.036 ( 14.352 -9.567 -14.223) 22.356 7.601 ( -21.387 16.750 9.562) 28.799 8.071 ( 12.945 3.316 2.141) 13.534 8.431 ( 1.754 9.515 9.011) 13.222 8.958 ( -6.137 -8.676 -1.904) 10.796 9.375 ( 0.655 13.311 0.633) 13.343 9.958 ( 2.589 4.528 7.036) 8.758 10.096 ( -2.708 -1.794 -6.234) 7.029 10.561 ( 2.941 -0.763 2.527) 3.952 10.614 ( 0.315 0.878 -1.222) 1.538 11.131 ( -0.069 -3.513 0.765) 3.596 11.154 ( 1.737 -1.756 -0.828) 2.605 11.467 ( 4.702 -4.565 -3.562) 7.459 11.747 ( -9.362 5.721 0.796) 11.000 12.430 ( -3.045 -7.171 -2.968) 8.337 13.413 ( -9.177 -5.878 -5.212) 12.080 14.032 ( -0.906 -3.063 3.098) 4.450 14.302 ( 1.703 2.341 -1.896) 3.460 14.981 ( -5.326 -10.621 -1.089) 11.932 15.153 ( 0.471 1.746 -1.978) 2.680 16.191 ( 1.058 -15.719 -3.336) 16.104 16.847 ( 7.546 10.101 2.292) 12.815 17.534 ( -13.599 -1.582 -0.358) 13.695 17.915 ( -5.302 -2.587 -2.734) 6.502 18.568 ( -0.773 -0.099 0.438) 0.894 18.716 ( 2.011 4.281 0.973) 4.829 19.430 ( 5.032 1.755 -1.732) 5.604 19.727 ( 3.808 3.891 4.981) 7.379 22.744 ( 1.179 0.206 3.435) 3.638 22.858 ( -2.814 0.656 -4.605) 5.436 ======================= Grid point 164 (66/116) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( -3.269 -5.662 0.000) 6.538 3.186 ( -12.315 -21.330 -0.000) 24.630 3.629 ( -5.377 -9.313 -0.000) 10.754 3.764 ( -8.462 -14.657 -0.000) 16.925 3.905 ( -5.362 -9.287 0.000) 10.724 4.786 ( -7.050 -12.211 -0.000) 14.100 4.832 ( 1.483 2.569 0.000) 2.966 5.909 ( -1.435 -2.485 -0.000) 2.870 6.267 ( 2.616 4.531 -0.000) 5.231 6.314 ( 4.465 7.734 0.000) 8.931 6.667 ( 3.348 5.799 0.000) 6.696 6.772 ( -1.398 -2.422 -0.000) 2.796 6.973 ( -2.871 -4.973 0.000) 5.743 7.588 ( 2.792 4.835 -0.000) 5.583 8.287 ( 4.476 7.753 0.000) 8.952 8.614 ( 4.189 7.256 0.000) 8.378 8.767 ( -3.925 -6.798 -0.000) 7.849 9.502 ( 2.635 4.565 -0.000) 5.271 9.944 ( -2.645 -4.581 0.000) 5.289 10.147 ( 4.320 7.483 -0.000) 8.641 10.471 ( -4.047 -7.010 -0.000) 8.095 10.721 ( 2.947 5.105 0.000) 5.894 11.080 ( -1.640 -2.840 0.000) 3.280 11.153 ( -0.086 -0.148 -0.000) 0.171 11.350 ( -4.824 -8.356 0.000) 9.648 11.832 ( 4.138 7.168 -0.000) 8.277 12.341 ( -0.048 -0.084 0.000) 0.096 13.179 ( -5.827 -10.092 0.000) 11.653 14.008 ( -0.594 -1.029 0.000) 1.188 14.343 ( 1.135 1.966 -0.000) 2.271 14.746 ( -7.120 -12.333 -0.000) 14.241 15.193 ( 1.684 2.917 -0.000) 3.368 15.979 ( -7.175 -12.428 -0.000) 14.351 17.007 ( 1.447 2.506 -0.000) 2.893 17.420 ( 1.062 1.840 -0.000) 2.125 17.828 ( -1.087 -1.883 -0.000) 2.174 18.557 ( -0.396 -0.685 -0.000) 0.791 18.800 ( 2.380 4.122 -0.000) 4.760 19.503 ( 1.668 2.889 -0.000) 3.336 19.832 ( 1.984 3.436 -0.000) 3.968 22.774 ( -0.966 -1.674 -0.000) 1.933 22.830 ( 1.871 3.241 0.000) 3.743 ======================= Grid point 172 (67/116) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( -0.000 -1.497 -5.154) 5.367 3.563 ( 0.000 -11.104 7.836) 13.590 3.950 ( -0.000 -1.275 -9.935) 10.016 4.403 ( -0.000 -4.806 -6.131) 7.790 4.621 ( -0.000 1.105 -13.675) 13.719 5.066 ( 0.000 3.548 -0.376) 3.568 5.591 ( -0.000 4.737 -15.322) 16.038 5.846 ( 0.000 -3.897 8.066) 8.958 6.075 ( 0.000 1.544 1.991) 2.519 6.161 ( -0.000 -16.113 2.485) 16.304 6.284 ( -0.000 -9.268 -2.918) 9.717 6.379 ( 0.000 -8.244 6.211) 10.322 6.599 ( -0.000 -11.286 -13.641) 17.705 7.524 ( 0.000 3.862 9.219) 9.995 8.160 ( 0.000 8.964 4.187) 9.894 8.323 ( 0.000 12.759 12.537) 17.888 8.925 ( 0.000 8.930 -3.433) 9.568 9.671 ( 0.000 5.496 4.682) 7.220 9.674 ( 0.000 2.052 -0.870) 2.229 10.194 ( 0.000 4.333 -1.170) 4.488 10.354 ( 0.000 -8.964 6.170) 10.882 10.624 ( -0.000 0.338 -1.610) 1.645 11.003 ( -0.000 -2.457 -0.266) 2.471 11.094 ( -0.000 -1.683 -0.471) 1.748 11.425 ( -0.000 -1.027 -5.435) 5.532 12.288 ( -0.000 12.623 -11.925) 17.365 12.625 ( -0.000 -20.080 2.484) 20.233 13.638 ( -0.000 1.232 -5.823) 5.952 14.125 ( 0.000 -3.227 3.457) 4.729 14.309 ( -0.000 0.630 -1.059) 1.232 15.064 ( -0.000 -7.257 -7.265) 10.269 15.324 ( 0.000 1.439 -0.111) 1.444 16.093 ( -0.000 -17.931 -4.408) 18.465 16.430 ( 0.000 12.164 1.413) 12.246 18.221 ( -0.000 -2.325 -10.952) 11.197 18.431 ( 0.000 3.658 1.213) 3.854 18.500 ( -0.000 0.030 -2.629) 2.629 18.639 ( 0.000 -1.717 2.867) 3.342 19.091 ( 0.000 -2.265 1.442) 2.685 19.473 ( 0.000 4.140 13.700) 14.312 22.724 ( 0.000 -0.744 1.292) 1.491 22.984 ( -0.000 -1.605 -3.595) 3.937 ======================= Grid point 173 (68/116) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 5.641 -7.839 -9.153) 13.305 3.469 ( 1.862 -14.427 1.725) 14.648 3.811 ( -1.723 -11.816 -7.746) 14.233 4.262 ( -4.459 -4.488 -7.715) 9.977 4.493 ( -2.730 -4.788 -14.326) 15.350 4.982 ( -11.717 6.159 0.078) 13.238 5.507 ( -0.180 -4.831 -15.329) 16.073 5.717 ( -1.322 -15.920 -1.229) 16.022 6.007 ( 2.785 -14.136 4.914) 15.223 6.188 ( 6.463 -6.189 0.123) 8.949 6.234 ( 3.244 -15.228 5.390) 16.476 6.360 ( 5.659 1.991 -4.429) 7.457 6.532 ( 11.271 -2.014 -13.730) 17.877 7.683 ( 5.985 1.437 11.308) 12.875 8.233 ( -9.795 14.170 8.172) 19.066 8.517 ( -2.427 11.952 13.589) 18.259 8.994 ( 0.828 5.442 -0.451) 5.523 9.601 ( -8.530 6.485 -0.176) 10.716 9.865 ( 2.363 13.469 6.402) 15.099 10.201 ( -1.642 -2.464 -1.469) 3.305 10.369 ( 5.328 -1.589 4.223) 6.982 10.610 ( 0.050 -1.068 -1.363) 1.733 11.001 ( 3.744 -2.892 -1.634) 5.005 11.087 ( 1.707 -2.281 -0.190) 2.856 11.362 ( 0.418 -2.939 -6.954) 7.561 12.187 ( -9.981 -1.811 -6.158) 11.867 12.457 ( 0.090 -9.522 -5.948) 11.228 13.614 ( 0.236 0.232 -8.671) 8.677 14.093 ( -2.678 -4.959 6.331) 8.476 14.285 ( -2.154 2.434 -4.123) 5.250 14.969 ( 4.061 -6.721 -7.271) 10.702 15.267 ( -5.946 -2.206 -2.451) 6.799 15.910 ( 9.367 -23.048 -8.434) 26.270 16.615 ( 4.403 11.829 4.500) 13.400 18.066 ( -9.021 2.333 -10.676) 14.170 18.261 ( -14.377 -0.460 0.289) 14.388 18.613 ( 4.878 4.486 -0.695) 6.663 18.630 ( -1.672 -0.039 2.102) 2.686 19.148 ( 7.410 -2.646 1.009) 7.932 19.644 ( 2.098 5.537 14.694) 15.842 22.728 ( 0.038 -0.045 1.273) 1.274 22.936 ( -1.354 0.346 -5.283) 5.465 ======================= Grid point 174 (69/116) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 0.859 -18.689 -20.819) 27.990 3.444 ( 6.765 -12.234 0.502) 13.989 3.573 ( -2.415 -24.087 4.113) 24.555 4.078 ( -6.967 -5.425 -4.045) 9.713 4.227 ( -9.001 -6.501 -12.824) 16.963 4.884 ( -6.871 5.691 1.864) 9.115 5.218 ( -12.791 -8.401 -7.701) 17.132 5.708 ( 22.984 -18.405 -11.714) 31.690 5.933 ( 0.693 -9.196 4.154) 10.114 6.111 ( 4.666 -13.957 -6.923) 16.263 6.291 ( 10.645 -6.391 3.281) 12.842 6.538 ( 5.629 4.303 1.904) 7.336 6.663 ( 15.140 -0.130 -13.700) 20.419 7.887 ( 10.690 -3.355 8.685) 14.176 8.225 ( -17.437 19.130 10.935) 28.099 8.657 ( -4.497 9.921 12.554) 16.621 9.021 ( -4.957 5.983 0.587) 7.792 9.542 ( -5.618 7.668 -0.542) 9.521 10.065 ( -1.452 7.050 8.408) 11.068 10.095 ( -2.289 1.787 -5.310) 6.052 10.480 ( 4.446 -5.983 3.488) 8.230 10.612 ( 1.698 4.908 -2.399) 5.721 11.045 ( 5.900 -3.211 -2.550) 7.185 11.094 ( 1.402 -3.273 1.459) 3.848 11.309 ( 3.390 -3.732 -7.330) 8.896 11.925 ( -9.174 -9.344 1.736) 13.209 12.354 ( -0.248 0.373 -11.123) 11.132 13.473 ( -7.888 -3.887 -8.234) 12.047 14.040 ( -1.316 -5.276 5.013) 7.396 14.267 ( 1.161 2.792 -5.373) 6.165 14.925 ( -0.237 -10.216 -2.247) 10.463 15.112 ( -0.611 -2.833 -6.083) 6.738 15.830 ( 11.304 -20.276 -7.843) 24.503 16.861 ( 6.848 9.802 6.770) 13.741 17.804 ( -16.837 3.364 -8.491) 19.154 18.035 ( -10.954 0.151 1.124) 11.012 18.612 ( -2.476 0.972 2.049) 3.358 18.722 ( 2.898 5.092 -0.924) 5.931 19.269 ( 9.174 -2.192 -1.985) 9.639 19.827 ( 0.449 6.594 13.429) 14.967 22.745 ( 0.811 -0.259 1.952) 2.130 22.876 ( -2.119 2.427 -6.915) 7.629 ======================= Grid point 183 (70/116) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( -0.000 -10.214 -10.510) 14.656 3.246 ( -0.000 -21.705 -7.964) 23.119 3.619 ( -0.000 -16.685 -9.681) 19.290 4.212 ( -0.000 -5.913 -3.637) 6.941 4.365 ( -0.000 -1.879 -18.941) 19.034 5.172 ( 0.000 7.325 -0.903) 7.381 5.193 ( -0.000 -37.309 -9.342) 38.461 5.462 ( -0.000 -13.517 -16.878) 21.624 5.866 ( 0.000 -8.660 8.198) 11.925 6.086 ( -0.000 -13.135 -6.691) 14.741 6.229 ( 0.000 5.290 0.728) 5.339 6.280 ( -0.000 -5.224 -6.606) 8.422 6.299 ( 0.000 -4.345 5.205) 6.780 7.705 ( 0.000 -4.224 11.863) 12.592 8.528 ( 0.000 16.095 10.073) 18.988 8.736 ( 0.000 11.695 11.430) 16.353 9.102 ( 0.000 12.399 3.359) 12.846 9.700 ( 0.000 0.992 0.145) 1.003 10.073 ( 0.000 20.943 2.661) 21.111 10.180 ( -0.000 -4.787 -0.240) 4.793 10.328 ( 0.000 -1.128 4.884) 5.012 10.602 ( -0.000 1.126 -1.339) 1.749 10.915 ( -0.000 -3.893 -3.623) 5.318 11.044 ( -0.000 -2.144 -1.017) 2.373 11.266 ( -0.000 -5.519 -6.380) 8.436 12.103 ( -0.000 -23.644 1.324) 23.681 12.396 ( -0.000 9.385 -17.639) 19.980 13.548 ( -0.000 -0.608 -7.912) 7.936 14.112 ( 0.000 -3.573 4.063) 5.411 14.321 ( -0.000 2.830 -3.753) 4.700 14.771 ( -0.000 -8.591 -10.845) 13.836 15.321 ( -0.000 -0.186 -2.033) 2.041 15.473 ( -0.000 -28.279 -11.290) 30.450 16.721 ( 0.000 9.264 7.289) 11.788 18.097 ( -0.000 4.381 -11.505) 12.311 18.444 ( -0.000 2.664 -8.757) 9.153 18.550 ( 0.000 4.709 3.584) 5.918 18.682 ( 0.000 1.776 2.681) 3.216 19.062 ( 0.000 -4.783 4.198) 6.364 19.798 ( 0.000 6.149 17.834) 18.865 22.733 ( 0.000 -0.004 0.635) 0.635 22.917 ( -0.000 2.331 -7.356) 7.717 ======================= Grid point 184 (71/116) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -6.181 -22.473 -23.465) 33.073 3.092 ( 12.999 -21.348 -5.413) 25.573 3.375 ( -0.981 -21.596 -3.445) 21.891 4.088 ( -4.481 -4.518 -6.233) 8.908 4.200 ( -3.073 -5.109 -10.241) 11.851 4.850 ( 20.231 -45.016 -13.289) 51.111 5.118 ( -9.838 5.077 -0.883) 11.106 5.258 ( -5.324 -3.130 -9.087) 10.987 5.837 ( 1.972 -9.024 0.793) 9.271 5.942 ( 1.673 -8.474 -6.870) 11.036 6.166 ( 0.498 -5.821 3.726) 6.930 6.313 ( 10.631 -5.090 -5.086) 12.837 6.466 ( 9.973 3.201 3.047) 10.909 7.751 ( 5.134 -10.028 9.830) 14.951 8.698 ( -7.803 18.066 10.441) 22.278 8.915 ( -2.817 13.189 10.879) 17.327 9.215 ( -4.058 12.053 1.714) 12.832 9.671 ( -3.974 1.789 0.143) 4.361 10.094 ( -3.265 -4.631 -2.022) 6.016 10.248 ( -0.174 13.158 0.063) 13.159 10.380 ( 2.636 -4.090 4.291) 6.487 10.630 ( 0.380 6.424 -2.047) 6.753 10.886 ( 4.794 -4.001 -5.188) 8.118 11.037 ( 2.258 -2.620 -0.006) 3.458 11.192 ( 1.141 -4.323 -1.711) 4.788 11.855 ( -1.665 -23.235 2.288) 23.406 12.343 ( -2.550 10.005 -17.980) 20.734 13.471 ( -2.334 -2.060 -8.996) 9.519 14.054 ( -4.013 -7.159 5.225) 9.730 14.270 ( -2.631 3.778 -7.529) 8.825 14.729 ( 9.062 -7.243 -6.628) 13.361 15.037 ( -5.570 -16.680 -8.497) 19.531 15.420 ( 10.081 -10.415 -5.074) 15.357 16.904 ( 4.600 7.523 10.548) 13.748 17.992 ( -8.546 5.413 -12.328) 15.948 18.269 ( -12.737 2.485 -2.860) 13.289 18.675 ( 0.714 2.128 2.800) 3.588 18.713 ( 1.646 5.423 -0.625) 5.701 19.099 ( 6.123 -4.472 2.116) 7.872 19.992 ( 0.512 6.563 17.550) 18.744 22.738 ( 0.446 -0.624 0.580) 0.961 22.882 ( -1.155 4.245 -9.345) 10.329 ======================= Grid point 194 (72/116) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -0.000 -24.444 -18.143) 30.441 2.521 ( -0.000 -28.397 -23.559) 36.897 3.155 ( -0.000 -19.201 -3.511) 19.519 4.028 ( -0.000 -42.878 -5.694) 43.255 4.085 ( -0.000 -0.651 -16.888) 16.901 4.099 ( -0.000 -23.185 0.274) 23.186 5.220 ( -0.000 1.565 -8.378) 8.522 5.272 ( 0.000 0.677 1.513) 1.657 5.754 ( -0.000 -5.764 -10.678) 12.134 5.769 ( -0.000 -2.451 -1.514) 2.880 6.030 ( -0.000 -12.284 -3.471) 12.765 6.317 ( 0.000 -0.928 4.369) 4.466 6.349 ( 0.000 -2.936 9.675) 10.111 7.644 ( -0.000 -15.092 7.861) 17.016 9.004 ( 0.000 16.804 10.284) 19.701 9.152 ( 0.000 16.101 8.077) 18.013 9.363 ( 0.000 9.513 -1.652) 9.655 9.716 ( 0.000 -0.101 1.087) 1.092 10.063 ( -0.000 -6.297 0.045) 6.297 10.275 ( -0.000 3.428 -11.558) 12.056 10.383 ( 0.000 -0.636 4.808) 4.850 10.708 ( 0.000 9.762 -0.464) 9.773 10.753 ( -0.000 -5.095 -6.701) 8.418 10.986 ( -0.000 -2.403 -0.717) 2.508 11.176 ( 0.000 -2.463 8.276) 8.635 11.641 ( -0.000 -21.545 0.781) 21.559 12.336 ( -0.000 9.521 -19.070) 21.314 13.411 ( -0.000 -1.439 -8.517) 8.637 14.079 ( 0.000 -5.624 3.444) 6.595 14.297 ( -0.000 2.634 -7.541) 7.988 14.467 ( -0.000 -7.358 -9.382) 11.923 14.811 ( -0.000 -23.468 -6.523) 24.357 15.277 ( -0.000 -0.818 -2.177) 2.326 17.013 ( 0.000 5.492 15.385) 16.336 18.035 ( -0.000 5.813 -13.291) 14.507 18.379 ( -0.000 4.056 -10.459) 11.218 18.702 ( 0.000 5.177 3.751) 6.393 18.763 ( 0.000 2.889 1.766) 3.386 19.018 ( 0.000 -5.438 4.302) 6.934 20.176 ( 0.000 5.824 19.355) 20.212 22.727 ( -0.000 -1.066 -0.191) 1.083 22.869 ( -0.000 5.661 -11.715) 13.011 ======================= Grid point 229 (73/116) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.000 0.000 35.116) 35.116 1.522 ( 0.000 0.000 35.116) 35.116 2.322 ( 0.000 0.000 0.130) 0.130 3.136 ( 0.000 0.000 72.976) 72.976 4.150 ( 0.000 0.000 5.583) 5.583 4.150 ( 0.000 0.000 5.583) 5.583 4.860 ( -0.000 -0.000 -3.660) 3.660 4.860 ( -0.000 -0.000 -3.660) 3.660 5.781 ( -0.000 0.000 -6.530) 6.530 5.781 ( -0.000 0.000 -6.530) 6.530 5.965 ( 0.000 0.000 13.844) 13.844 6.471 ( 0.000 0.000 4.192) 4.192 6.680 ( 0.000 -0.000 13.611) 13.611 6.680 ( 0.000 -0.000 13.611) 13.611 9.258 ( -0.000 -0.000 -19.275) 19.275 9.258 ( -0.000 -0.000 -19.275) 19.275 9.601 ( -0.000 -0.000 -1.174) 1.174 9.808 ( -0.000 -0.000 -5.148) 5.148 9.808 ( -0.000 -0.000 -5.148) 5.148 9.905 ( -0.000 -0.000 -26.321) 26.321 10.635 ( 0.000 0.000 16.061) 16.061 10.635 ( 0.000 0.000 16.061) 16.061 10.918 ( 0.000 0.000 1.490) 1.490 10.933 ( 0.000 0.000 13.135) 13.135 10.933 ( 0.000 0.000 13.135) 13.135 11.355 ( -0.000 -0.000 -11.656) 11.656 13.245 ( -0.000 -0.000 -0.687) 0.687 13.245 ( 0.000 0.000 -0.687) 0.687 14.451 ( 0.000 0.000 13.786) 13.786 14.451 ( 0.000 0.000 13.786) 13.786 14.597 ( 0.000 0.000 10.805) 10.805 14.987 ( 0.000 0.000 16.005) 16.005 15.334 ( 0.000 0.000 4.569) 4.569 15.334 ( 0.000 0.000 4.569) 4.569 18.499 ( 0.000 0.000 14.703) 14.703 18.662 ( -0.000 -0.000 -7.239) 7.239 18.662 ( -0.000 -0.000 -7.239) 7.239 19.028 ( 0.000 -0.000 1.157) 1.157 19.028 ( 0.000 0.000 1.157) 1.157 19.760 ( -0.000 -0.000 -1.085) 1.085 22.784 ( 0.000 0.000 4.718) 4.718 23.822 ( -0.000 -0.000 -3.911) 3.911 ======================= Grid point 230 (74/116) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 2.863 1.653 31.345) 31.519 2.222 ( 23.351 13.482 33.130) 42.716 2.431 ( 8.413 4.858 -0.119) 9.716 3.780 ( 14.332 8.274 61.482) 63.670 4.147 ( -0.950 -0.548 6.169) 6.266 4.262 ( 6.462 3.731 1.852) 7.689 4.852 ( 1.073 0.619 -3.764) 3.963 4.863 ( -0.612 -0.354 0.219) 0.740 5.611 ( -4.262 -2.460 -3.298) 5.924 5.914 ( 6.341 3.661 -4.595) 8.644 6.089 ( 3.787 2.186 9.794) 10.726 6.454 ( -3.940 -2.275 14.179) 14.891 6.726 ( 7.019 4.053 4.577) 9.308 6.965 ( 7.291 4.210 13.737) 16.112 9.048 ( -5.581 -3.222 -19.829) 20.850 9.075 ( -4.678 -2.701 -21.941) 22.596 9.581 ( -0.862 -0.498 -2.108) 2.332 9.592 ( -7.425 -4.287 -21.588) 23.228 9.832 ( 4.487 2.590 -3.606) 6.312 9.926 ( 9.220 5.323 -7.813) 13.206 10.635 ( -4.702 -2.715 12.533) 13.658 10.845 ( 2.332 1.346 15.015) 15.255 10.959 ( 3.147 1.817 4.786) 6.009 11.030 ( 0.685 0.395 10.995) 11.024 11.056 ( 2.998 1.731 6.958) 7.772 11.238 ( -2.587 -1.494 -8.192) 8.720 13.110 ( -5.254 -3.034 -2.235) 6.466 13.404 ( 8.652 4.995 0.716) 10.016 14.170 ( -25.314 -14.615 19.578) 35.181 14.532 ( -0.568 -0.328 14.514) 14.529 14.751 ( -1.784 -1.030 12.345) 12.516 14.914 ( 3.840 2.217 17.447) 18.002 15.358 ( -0.433 -0.250 4.195) 4.225 15.938 ( 28.441 16.420 -7.774) 33.748 18.472 ( -6.864 -3.963 4.392) 9.061 18.602 ( -0.945 -0.546 -6.685) 6.773 18.716 ( -0.411 -0.237 6.377) 6.395 18.924 ( -2.873 -1.659 1.573) 3.672 19.040 ( -0.657 -0.379 0.541) 0.932 19.787 ( 2.330 1.345 -4.884) 5.576 22.804 ( -1.132 -0.653 4.609) 4.791 23.666 ( -9.745 -5.626 -0.306) 11.257 ======================= Grid point 231 (75/116) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 12.053 6.959 24.797) 28.436 2.652 ( 10.386 5.997 -0.400) 12.000 2.926 ( 16.664 9.621 37.086) 41.781 4.189 ( -0.442 -0.255 9.378) 9.392 4.274 ( 3.997 2.308 10.406) 11.384 4.688 ( 11.153 6.439 6.643) 14.491 4.820 ( -2.356 -1.360 -3.654) 4.555 4.883 ( 13.347 7.706 25.729) 29.991 5.592 ( 4.891 2.824 -1.250) 5.784 5.929 ( -3.456 -1.995 1.988) 4.458 6.265 ( 7.880 4.550 -0.581) 9.118 6.567 ( 2.400 1.386 20.865) 21.048 7.039 ( 19.200 11.085 -0.737) 22.183 7.192 ( 4.250 2.453 13.059) 13.950 8.720 ( -11.602 -6.698 -19.892) 23.982 8.762 ( -8.553 -4.938 -23.385) 25.385 9.257 ( -7.991 -4.614 -23.054) 24.833 9.543 ( -0.919 -0.530 -2.300) 2.533 9.942 ( 6.450 3.724 -2.387) 7.821 10.110 ( 7.340 4.238 0.327) 8.482 10.561 ( -6.732 -3.887 3.106) 8.371 10.905 ( -0.965 -0.557 4.734) 4.863 11.060 ( -0.343 -0.198 -4.361) 4.379 11.101 ( 0.805 0.465 8.318) 8.370 11.132 ( 3.154 1.821 10.512) 11.125 11.261 ( 3.909 2.257 4.961) 6.707 12.999 ( -3.034 -1.752 -0.417) 3.528 13.621 ( 9.515 5.493 -3.800) 11.625 13.792 ( -20.204 -11.665 25.378) 34.472 14.614 ( -1.096 -0.633 14.435) 14.490 14.698 ( -7.055 -4.073 8.229) 11.579 15.239 ( 11.327 6.540 16.617) 21.147 15.369 ( -0.878 -0.507 3.046) 3.211 16.386 ( 17.491 10.098 -12.198) 23.594 18.308 ( -9.651 -5.572 2.799) 11.491 18.532 ( -15.706 -9.068 11.521) 21.486 18.533 ( -1.240 -0.716 -5.745) 5.921 19.008 ( -2.138 -1.235 -0.363) 2.496 19.096 ( 11.861 6.848 1.891) 13.826 19.763 ( -0.555 -0.320 -8.228) 8.253 22.793 ( -2.253 -1.301 3.459) 4.328 23.441 ( -9.966 -5.754 1.917) 11.666 ======================= Grid point 232 (76/116) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 12.202 7.045 19.222) 23.833 2.893 ( 11.154 6.440 1.342) 12.949 3.482 ( 9.132 5.272 38.498) 39.915 4.226 ( -3.378 -1.950 11.396) 12.045 4.269 ( -12.638 -7.297 14.510) 20.580 4.696 ( 6.775 3.912 -13.525) 15.625 4.707 ( -5.516 -3.185 0.879) 6.429 5.730 ( 29.489 17.025 21.687) 40.370 5.807 ( 14.036 8.104 -3.144) 16.509 5.851 ( -4.257 -2.458 3.169) 5.849 6.400 ( 4.605 2.659 0.688) 5.362 6.801 ( 6.464 3.732 14.637) 16.431 7.306 ( -2.276 -1.314 9.658) 10.009 7.550 ( 24.241 13.996 0.423) 27.995 8.243 ( -18.277 -10.552 -17.928) 27.692 8.412 ( -6.883 -3.974 -21.697) 23.107 8.939 ( -6.068 -3.503 -20.167) 21.350 9.519 ( 0.069 0.040 -1.070) 1.073 10.076 ( 6.290 3.631 -2.105) 7.562 10.152 ( -7.618 -4.398 6.225) 10.777 10.450 ( 0.186 0.108 -5.229) 5.233 10.894 ( -2.173 -1.254 2.197) 3.335 11.090 ( 3.026 1.747 2.334) 4.202 11.135 ( -1.611 -0.930 3.794) 4.225 11.216 ( -0.741 -0.428 4.382) 4.465 11.400 ( 6.437 3.717 1.173) 7.525 12.989 ( 0.839 0.485 5.214) 5.304 13.467 ( -16.543 -9.551 11.771) 22.438 13.855 ( 6.049 3.492 5.201) 8.708 14.576 ( -6.530 -3.770 3.825) 8.455 14.672 ( -2.482 -1.433 13.649) 13.946 15.360 ( -1.246 -0.719 1.565) 2.126 15.608 ( 10.880 6.282 14.514) 19.196 16.594 ( 8.672 5.007 -12.902) 16.332 18.061 ( -14.447 -8.341 7.064) 18.116 18.289 ( -11.271 -6.507 10.532) 16.742 18.476 ( -0.513 -0.296 -4.439) 4.479 18.944 ( -2.754 -1.590 -1.521) 3.525 19.398 ( 13.151 7.593 0.960) 15.215 19.658 ( -3.248 -1.875 -8.840) 9.603 22.753 ( -2.703 -1.561 1.837) 3.622 23.244 ( -8.408 -4.855 1.360) 9.804 ======================= Grid point 233 (77/116) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 3.935 2.272 12.622) 13.415 3.215 ( 14.053 8.114 7.089) 17.709 3.757 ( -12.079 -6.974 25.622) 29.173 4.080 ( -4.858 -2.805 19.888) 20.664 4.147 ( -10.652 -6.150 10.909) 16.441 4.653 ( -0.730 -0.422 7.628) 7.674 4.811 ( 7.083 4.089 -4.656) 9.411 5.786 ( -3.319 -1.916 2.970) 4.849 6.119 ( 14.872 8.586 -6.560) 18.383 6.225 ( 8.111 4.683 -5.334) 10.778 6.578 ( 7.516 4.339 3.193) 9.248 6.966 ( -5.561 -3.211 4.483) 7.832 7.146 ( -14.983 -8.650 -1.020) 17.331 7.721 ( -7.769 -4.486 -2.821) 9.404 8.143 ( 23.065 13.317 -2.699) 26.770 8.252 ( 4.367 2.521 -12.190) 13.191 8.746 ( -0.766 -0.442 -10.199) 10.238 9.537 ( 1.579 0.911 0.775) 1.981 9.951 ( -8.534 -4.927 -0.599) 9.873 10.187 ( 4.552 2.628 -2.207) 5.701 10.457 ( 0.154 0.089 1.796) 1.804 10.822 ( -4.716 -2.723 -1.858) 5.754 11.069 ( -4.756 -2.746 0.304) 5.500 11.180 ( 1.869 1.079 4.859) 5.316 11.187 ( -2.405 -1.389 -0.269) 2.790 11.582 ( 9.473 5.469 -0.715) 10.961 13.093 ( 3.018 1.743 10.209) 10.787 13.128 ( -19.520 -11.270 7.542) 23.768 13.986 ( 2.963 1.711 3.669) 5.017 14.477 ( -3.329 -1.922 0.026) 3.844 14.683 ( -4.375 -2.526 12.260) 13.260 15.336 ( -1.371 -0.791 0.504) 1.661 15.873 ( 2.227 1.285 11.397) 11.684 16.629 ( 3.646 2.105 -12.550) 13.237 17.823 ( -9.783 -5.648 9.593) 14.820 18.163 ( -6.286 -3.629 10.662) 12.898 18.457 ( 1.261 0.728 -2.913) 3.257 18.869 ( -2.344 -1.353 -2.809) 3.901 19.503 ( -4.276 -2.469 -9.646) 10.836 19.695 ( 12.133 7.005 0.110) 14.010 22.704 ( -2.111 -1.219 0.719) 2.541 23.074 ( -6.952 -4.014 0.055) 8.028 ======================= Grid point 234 (78/116) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -3.533 -2.040 10.798) 11.543 3.406 ( -24.697 -14.259 16.548) 32.971 3.538 ( 6.895 3.981 7.163) 10.710 3.944 ( -12.193 -7.039 15.171) 20.697 4.215 ( -0.468 -0.270 14.745) 14.755 4.780 ( 6.219 3.591 10.162) 12.443 4.935 ( 3.765 2.174 6.144) 7.527 5.742 ( -3.114 -1.798 5.494) 6.566 6.224 ( -14.411 -8.320 -9.500) 19.161 6.342 ( 9.009 5.202 -10.937) 15.094 6.380 ( -20.266 -11.701 -6.177) 24.203 6.609 ( -6.450 -3.724 -4.887) 8.909 6.678 ( -21.240 -12.263 -7.038) 25.515 7.921 ( 12.834 7.410 -0.779) 14.840 8.407 ( 13.079 7.551 -5.996) 16.249 8.531 ( 10.396 6.002 0.622) 12.021 8.841 ( 12.623 7.288 0.399) 14.581 9.599 ( 2.786 1.608 2.310) 3.961 9.857 ( 2.485 1.435 -1.268) 3.137 10.241 ( 1.195 0.690 -2.398) 2.767 10.478 ( 0.102 0.059 4.722) 4.723 10.649 ( -6.975 -4.027 -6.990) 10.664 10.962 ( -4.951 -2.858 0.998) 5.803 11.113 ( -3.265 -1.885 -1.549) 4.076 11.228 ( 0.228 0.132 2.585) 2.598 11.809 ( 9.374 5.412 3.386) 11.341 12.676 ( -22.913 -13.229 2.727) 26.598 13.236 ( 2.449 1.414 11.733) 12.069 14.065 ( 2.137 1.234 4.014) 4.711 14.398 ( -3.517 -2.031 -2.533) 4.786 14.641 ( -6.124 -3.536 10.582) 12.728 15.308 ( -1.275 -0.736 0.401) 1.526 15.756 ( -17.570 -10.144 6.776) 21.389 16.706 ( 10.430 6.022 -9.538) 15.362 17.769 ( -1.325 -0.765 9.602) 9.723 18.149 ( -1.618 -0.934 11.559) 11.709 18.497 ( 3.492 2.016 -1.481) 4.296 18.805 ( -1.136 -0.656 -4.015) 4.224 19.334 ( -5.195 -3.000 -7.563) 9.654 19.946 ( 10.998 6.350 -4.696) 13.540 22.677 ( -0.571 -0.330 1.180) 1.352 22.929 ( -5.492 -3.171 -0.713) 6.381 ======================= Grid point 235 (79/116) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -12.450 -7.188 12.985) 19.372 2.947 ( -25.622 -14.793 19.115) 35.223 3.473 ( -13.091 -7.558 4.630) 15.809 3.958 ( 0.388 0.224 19.018) 19.023 4.198 ( -4.980 -2.875 1.361) 5.910 5.052 ( 10.761 6.213 9.201) 15.461 5.079 ( 2.336 1.349 11.433) 11.747 5.223 ( -46.874 -27.063 -5.492) 54.404 5.757 ( -3.574 -2.063 12.115) 12.799 6.107 ( -18.361 -10.601 -12.022) 24.373 6.271 ( -6.471 -3.736 -0.234) 7.476 6.396 ( -4.601 -2.656 -9.164) 10.593 6.427 ( 1.121 0.647 -7.822) 7.929 7.945 ( -5.943 -3.431 -10.620) 12.644 8.706 ( 15.985 9.229 -6.703) 19.637 8.830 ( 14.857 8.578 2.735) 17.372 9.141 ( 11.706 6.758 -1.023) 13.555 9.680 ( 2.539 1.466 2.064) 3.585 10.045 ( 10.433 6.024 5.489) 13.239 10.192 ( -4.163 -2.403 -2.079) 5.237 10.468 ( -3.578 -2.066 -7.535) 8.593 10.544 ( 3.637 2.100 3.765) 5.641 10.847 ( -5.926 -3.421 2.324) 7.226 11.037 ( -2.597 -1.499 -0.406) 3.026 11.230 ( -0.096 -0.055 -2.525) 2.527 12.051 ( 7.475 4.315 9.492) 12.829 12.149 ( -23.300 -13.452 1.549) 26.949 13.351 ( 0.663 0.383 10.778) 10.805 14.140 ( 1.717 0.991 2.278) 3.020 14.283 ( -4.533 -2.617 -0.658) 5.276 14.557 ( -6.926 -3.999 9.389) 12.334 15.286 ( -1.050 -0.606 1.111) 1.644 15.292 ( -24.034 -13.876 5.001) 28.199 16.903 ( 11.134 6.428 -10.069) 16.330 17.861 ( 2.638 1.523 11.291) 11.695 18.238 ( 2.236 1.291 10.899) 11.201 18.591 ( 5.189 2.996 -0.663) 6.028 18.765 ( 0.299 0.173 -4.751) 4.763 19.168 ( -5.326 -3.075 -5.687) 8.376 20.120 ( 8.851 5.110 -11.492) 15.379 22.703 ( 1.421 0.820 3.371) 3.749 22.823 ( -3.400 -1.963 0.706) 3.989 ======================= Grid point 240 (80/116) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 0.000 18.373 28.831) 34.188 2.311 ( 0.000 16.398 22.156) 27.564 2.486 ( 0.000 17.851 7.683) 19.435 4.094 ( 0.000 -0.028 32.260) 32.260 4.184 ( -0.000 3.161 -8.958) 9.499 4.294 ( 0.000 10.987 35.386) 37.052 4.849 ( -0.000 2.176 -1.433) 2.605 4.934 ( 0.000 3.879 7.096) 8.087 5.658 ( -0.000 1.973 -2.124) 2.899 5.836 ( -0.000 6.530 -5.978) 8.854 6.144 ( 0.000 0.570 8.706) 8.725 6.558 ( 0.000 1.856 10.331) 10.496 6.640 ( 0.000 -12.943 15.094) 19.883 7.112 ( 0.000 12.349 11.271) 16.719 8.913 ( -0.000 -5.471 -20.275) 21.000 8.919 ( -0.000 -5.319 -23.896) 24.481 9.419 ( -0.000 -6.444 -29.083) 29.788 9.578 ( -0.000 0.012 -1.973) 1.973 9.794 ( -0.000 4.049 -2.861) 4.958 9.904 ( 0.000 13.728 -5.878) 14.933 10.722 ( 0.000 -7.197 14.381) 16.081 10.954 ( 0.000 1.121 2.050) 2.336 10.972 ( 0.000 1.561 11.289) 11.396 11.082 ( 0.000 -1.169 10.411) 10.477 11.146 ( 0.000 4.892 8.017) 9.392 11.177 ( -0.000 -0.672 -3.339) 3.406 13.120 ( -0.000 -3.935 -1.819) 4.335 13.366 ( 0.000 6.980 -1.307) 7.102 14.406 ( 0.000 -15.665 15.042) 21.718 14.692 ( 0.000 2.522 15.235) 15.442 14.821 ( 0.000 2.810 13.125) 13.423 14.890 ( 0.000 -11.721 17.026) 20.670 15.400 ( 0.000 -0.081 4.488) 4.488 15.907 ( 0.000 28.917 -3.985) 29.190 18.541 ( -0.000 -1.333 -0.748) 1.528 18.545 ( -0.000 -1.378 -7.429) 7.556 18.758 ( 0.000 3.647 9.441) 10.121 18.982 ( -0.000 -6.113 2.627) 6.653 18.988 ( -0.000 -3.744 0.762) 3.820 19.742 ( -0.000 -2.026 -2.778) 3.438 22.837 ( 0.000 -1.646 5.024) 5.287 23.653 ( -0.000 -9.904 -2.038) 10.111 ======================= Grid point 241 (81/116) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -5.542 22.973 23.688) 33.461 2.620 ( 5.906 14.170 1.905) 15.469 3.000 ( 16.204 19.151 28.196) 37.741 4.196 ( 4.962 3.564 -8.491) 10.460 4.226 ( 3.463 1.897 6.069) 7.241 4.805 ( 1.413 10.924 27.575) 29.694 4.865 ( -1.314 3.489 2.543) 4.513 4.997 ( 2.295 5.729 22.496) 23.327 5.625 ( -3.880 6.024 -0.270) 7.170 5.934 ( 3.755 3.708 -2.853) 5.999 6.209 ( 2.904 1.308 4.738) 5.708 6.630 ( 2.443 -8.568 18.538) 20.568 6.814 ( 14.322 4.520 9.287) 17.657 7.300 ( 1.192 7.799 10.158) 12.861 8.646 ( -4.601 -7.223 -25.022) 26.447 8.666 ( -5.814 -7.075 -20.116) 22.102 9.117 ( -3.301 -5.773 -30.117) 30.843 9.554 ( -1.323 0.899 -2.163) 2.690 9.869 ( 4.790 4.732 -1.705) 6.945 10.068 ( 5.386 13.859 -3.164) 15.201 10.669 ( -7.937 -9.054 7.693) 14.288 10.905 ( 0.217 -6.016 -0.545) 6.044 11.009 ( 1.278 -1.206 1.447) 2.277 11.148 ( 1.418 -1.045 8.921) 9.093 11.241 ( 1.933 2.414 4.914) 5.806 11.283 ( -0.984 9.252 10.467) 14.004 13.037 ( -3.582 -1.816 0.121) 4.018 13.501 ( 7.683 6.397 -3.602) 10.627 14.182 ( -17.685 -11.311 19.162) 28.423 14.760 ( -3.608 -1.123 12.515) 13.074 14.807 ( -4.022 -3.361 9.207) 10.594 15.161 ( 12.309 1.652 16.100) 20.334 15.426 ( 0.091 1.379 3.965) 4.199 16.217 ( 9.716 18.242 -7.242) 21.901 18.409 ( -6.874 -3.845 -1.716) 8.061 18.519 ( -1.286 0.603 -3.545) 3.819 18.773 ( -12.429 -5.975 8.053) 15.969 18.937 ( 6.477 -2.543 1.623) 7.145 19.025 ( 4.157 0.967 2.152) 4.779 19.692 ( 0.797 -4.924 -4.602) 6.787 22.836 ( -1.564 -2.544 4.390) 5.310 23.496 ( -4.896 -9.596 -0.753) 10.799 ======================= Grid point 242 (82/116) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 0.859 22.555 20.284) 30.346 2.862 ( 5.152 14.417 1.195) 15.356 3.602 ( 12.689 8.026 31.268) 34.686 4.267 ( 2.038 -0.302 1.518) 2.559 4.368 ( 7.499 2.855 1.168) 8.108 4.736 ( -14.434 1.926 5.048) 15.412 4.829 ( -5.896 5.973 -2.476) 8.750 5.618 ( 20.150 13.586 26.390) 35.875 5.697 ( 5.376 7.973 -1.611) 9.750 5.944 ( -3.880 1.929 2.667) 5.088 6.346 ( 5.394 0.328 7.229) 9.025 6.765 ( 8.287 -3.971 12.692) 15.669 7.255 ( 19.482 6.843 10.382) 23.112 7.435 ( 1.535 4.577 6.063) 7.750 8.289 ( -12.748 -9.555 -17.894) 23.958 8.311 ( -6.057 -6.136 -24.561) 26.031 8.817 ( -2.570 -3.318 -26.595) 26.924 9.534 ( -1.060 2.122 -1.198) 2.657 10.003 ( 5.853 5.099 -1.294) 7.870 10.255 ( 1.059 5.995 2.639) 6.636 10.409 ( -7.396 -10.572 -3.679) 13.417 10.888 ( 1.790 -4.866 1.974) 5.548 11.052 ( 2.412 -0.047 4.933) 5.492 11.204 ( -0.014 0.067 4.775) 4.776 11.309 ( -0.597 3.321 0.661) 3.438 11.381 ( -2.076 5.265 5.624) 7.979 13.009 ( -0.109 -1.000 6.161) 6.243 13.615 ( 0.201 3.331 -6.848) 7.618 13.964 ( -10.682 -5.333 20.012) 23.303 14.646 ( -5.696 -8.029 2.478) 10.152 14.848 ( -4.694 3.502 13.679) 14.880 15.342 ( 1.709 -3.234 3.550) 5.097 15.612 ( 9.444 8.459 11.744) 17.281 16.451 ( 7.399 10.359 -9.177) 15.693 18.216 ( -9.409 -7.987 2.716) 12.637 18.472 ( -4.361 -1.509 1.964) 5.016 18.525 ( -12.329 -3.824 4.876) 13.799 18.925 ( -0.096 -5.473 -1.578) 5.697 19.243 ( 12.050 5.787 -0.120) 13.368 19.608 ( -0.376 -5.468 -5.164) 7.530 22.797 ( -2.712 -2.867 3.140) 5.043 23.309 ( -6.080 -7.833 -0.426) 9.925 ======================= Grid point 243 (83/116) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( -4.216 16.168 12.202) 20.690 3.169 ( 10.981 15.032 8.030) 20.274 3.927 ( -0.803 -10.025 23.157) 25.246 4.257 ( -3.818 0.757 8.835) 9.655 4.459 ( -8.614 3.410 7.864) 12.152 4.646 ( 1.963 -1.295 5.208) 5.714 4.786 ( -2.955 9.147 -0.321) 9.618 5.896 ( 7.052 5.263 -2.900) 9.265 5.929 ( -0.538 5.292 3.531) 6.385 6.094 ( 10.433 6.457 0.094) 12.270 6.507 ( 6.889 0.370 7.006) 9.832 6.941 ( 4.889 -6.881 8.606) 12.055 7.363 ( -11.676 -1.322 3.069) 12.145 7.770 ( 2.844 -0.020 -3.487) 4.500 7.869 ( 7.504 1.751 -6.287) 9.945 8.090 ( 3.328 -1.314 -16.324) 16.712 8.652 ( 2.193 2.470 -15.785) 16.127 9.546 ( -0.199 2.643 0.605) 2.719 10.026 ( -9.654 -11.000 -2.180) 14.797 10.147 ( 3.855 5.611 -2.441) 7.232 10.408 ( 3.418 -1.800 1.421) 4.116 10.853 ( -2.574 -3.237 -0.134) 4.138 11.146 ( 1.366 1.162 5.179) 5.480 11.210 ( -2.123 0.847 1.400) 2.680 11.257 ( -6.873 3.192 -1.484) 7.723 11.475 ( 6.874 2.240 2.319) 7.592 13.068 ( 1.185 -5.777 11.128) 12.594 13.442 ( -14.608 -0.066 -0.207) 14.610 13.995 ( 1.292 0.530 8.858) 8.967 14.495 ( -3.895 -6.162 -0.764) 7.330 14.874 ( -6.310 2.702 12.102) 13.913 15.329 ( -0.240 -3.069 0.503) 3.119 15.931 ( 6.976 8.308 10.721) 15.253 16.542 ( 1.816 5.847 -10.355) 12.029 17.978 ( -10.377 -10.980 7.952) 17.073 18.301 ( -8.622 -6.453 8.969) 14.015 18.469 ( -1.607 3.892 -1.375) 4.429 18.843 ( -0.842 -5.410 -3.094) 6.288 19.433 ( 3.536 0.753 -10.599) 11.199 19.571 ( 7.018 0.989 1.388) 7.222 22.740 ( -2.714 -2.313 2.128) 4.152 23.132 ( -5.954 -6.112 -0.887) 8.578 ======================= Grid point 244 (84/116) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -8.052 7.587 9.928) 14.865 3.536 ( 6.339 8.779 9.678) 14.523 3.734 ( -14.168 -11.771 13.896) 23.073 4.236 ( -11.093 -1.682 5.453) 12.475 4.371 ( -8.747 4.623 8.517) 13.055 4.714 ( 6.537 -5.349 7.354) 11.200 4.951 ( 4.488 5.123 13.613) 15.222 5.928 ( -6.963 6.955 11.985) 15.508 6.076 ( 8.604 -1.848 -9.649) 13.059 6.235 ( 5.377 4.978 -5.750) 9.314 6.509 ( -5.846 -9.768 -5.057) 12.457 6.748 ( -19.366 -8.216 -2.843) 21.228 6.914 ( -24.103 -7.795 -9.047) 26.899 7.782 ( 10.274 5.331 0.568) 11.588 8.143 ( 13.578 -1.153 -7.522) 15.565 8.354 ( 21.670 11.397 -3.262) 24.700 8.730 ( 6.839 6.614 -0.400) 9.523 9.562 ( 0.824 -2.760 0.723) 2.969 9.829 ( -0.012 -1.199 -3.967) 4.144 10.233 ( 0.730 4.635 -2.613) 5.371 10.431 ( 3.367 -5.753 2.359) 7.071 10.729 ( -7.710 -1.261 -2.808) 8.301 11.088 ( -8.839 3.583 -1.088) 9.599 11.161 ( -4.036 0.678 -0.694) 4.151 11.246 ( 0.196 -1.453 4.512) 4.744 11.695 ( 12.164 2.300 5.877) 13.704 12.886 ( -16.172 -15.915 3.590) 22.972 13.343 ( -2.528 5.012 8.057) 9.820 14.075 ( 1.466 0.827 5.756) 5.997 14.375 ( -2.392 -5.831 -3.205) 7.071 14.856 ( -7.902 3.110 10.081) 13.181 15.289 ( -0.471 -4.340 0.176) 4.369 16.047 ( -11.872 1.427 9.795) 15.457 16.562 ( 5.823 7.583 -10.402) 14.128 17.819 ( -2.731 -8.736 9.891) 13.476 18.209 ( -1.879 -6.029 7.647) 9.917 18.498 ( 0.139 5.232 0.413) 5.250 18.759 ( 0.026 -4.747 -4.187) 6.330 19.337 ( -3.547 -1.155 -7.406) 8.293 19.773 ( 11.010 4.450 -5.197) 12.963 22.701 ( -1.341 -0.902 2.228) 2.753 22.977 ( -5.175 -4.581 -1.071) 6.994 ======================= Grid point 245 (85/116) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -13.667 -7.832 14.435) 21.365 3.392 ( -17.877 -2.455 8.469) 19.933 3.702 ( -11.741 0.936 5.528) 13.011 4.079 ( -3.653 -5.293 12.696) 14.232 4.290 ( -6.995 -1.470 2.391) 7.537 4.890 ( 12.565 -3.666 7.245) 14.960 5.151 ( 2.074 0.533 17.619) 17.749 5.736 ( -34.006 -14.533 -4.027) 37.200 5.996 ( -9.373 3.315 16.928) 19.632 6.169 ( -10.950 -9.079 -8.434) 16.537 6.237 ( -4.356 0.321 -6.390) 7.740 6.409 ( -0.454 1.466 -6.028) 6.220 6.538 ( -14.098 1.473 -5.843) 15.332 7.920 ( 0.416 3.820 -10.516) 11.196 8.390 ( 20.351 0.281 -6.140) 21.259 8.705 ( 11.706 7.347 -3.839) 14.344 8.963 ( 12.358 4.540 1.556) 13.257 9.595 ( 7.273 -3.829 0.458) 8.232 9.947 ( 9.525 7.714 -0.243) 12.260 10.206 ( -2.120 -2.471 -2.843) 4.322 10.465 ( 1.425 1.194 -3.286) 3.776 10.573 ( -5.733 -0.445 1.140) 5.862 10.969 ( -7.686 1.306 1.205) 7.888 11.094 ( -4.263 1.333 -0.491) 4.493 11.242 ( -1.872 -1.816 3.306) 4.211 11.982 ( 11.976 0.590 10.396) 15.869 12.409 ( -21.453 -13.573 0.823) 25.399 13.424 ( -0.004 0.650 9.645) 9.667 14.150 ( 1.451 1.865 4.459) 5.046 14.238 ( -2.241 -8.536 -3.253) 9.406 14.806 ( -9.789 4.839 8.264) 13.694 15.221 ( -1.203 -9.124 1.647) 9.349 15.735 ( -25.614 -1.988 7.615) 26.796 16.747 ( 9.694 10.016 -8.068) 16.106 17.843 ( 4.963 -6.027 10.649) 13.204 18.212 ( 4.058 -6.929 5.514) 9.741 18.580 ( 1.951 6.426 1.308) 6.842 18.702 ( 1.432 -3.079 -4.325) 5.499 19.213 ( -5.627 0.571 -4.644) 7.318 19.931 ( 8.910 4.157 -11.733) 15.308 22.715 ( 0.811 0.956 2.985) 3.238 22.861 ( -3.265 -3.051 0.788) 4.537 ======================= Grid point 251 (86/116) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 0.000 15.886 1.597) 15.966 2.857 ( 0.000 24.886 22.218) 33.361 3.210 ( 0.000 22.740 19.063) 29.673 4.106 ( -0.000 8.290 -15.024) 17.159 4.287 ( 0.000 3.321 9.471) 10.036 4.906 ( -0.000 7.908 -4.614) 9.156 5.099 ( 0.000 1.773 5.028) 5.332 5.211 ( 0.000 11.942 42.553) 44.197 5.782 ( 0.000 8.957 2.424) 9.279 5.887 ( -0.000 6.133 -4.695) 7.723 6.244 ( 0.000 0.995 9.040) 9.095 6.599 ( 0.000 -14.195 19.239) 23.909 6.845 ( 0.000 7.523 15.099) 16.869 7.412 ( 0.000 3.341 8.179) 8.835 8.432 ( -0.000 -7.909 -25.844) 27.027 8.512 ( -0.000 -7.325 -18.665) 20.051 8.869 ( -0.000 -4.889 -32.568) 32.933 9.561 ( -0.000 1.483 -2.470) 2.880 9.869 ( 0.000 5.752 -0.842) 5.814 10.159 ( 0.000 16.513 -2.890) 16.764 10.742 ( 0.000 -8.624 11.277) 14.196 10.745 ( -0.000 -15.180 -6.954) 16.697 11.012 ( 0.000 0.889 3.034) 3.162 11.163 ( 0.000 -2.514 6.777) 7.228 11.286 ( 0.000 2.809 4.091) 4.962 11.482 ( 0.000 11.781 9.361) 15.047 13.060 ( 0.000 -0.995 0.772) 1.259 13.471 ( 0.000 6.805 -3.466) 7.637 14.340 ( 0.000 -11.540 13.994) 18.138 14.762 ( -0.000 -11.168 3.390) 11.671 14.948 ( 0.000 3.047 13.395) 13.737 15.217 ( 0.000 9.495 18.121) 20.458 15.434 ( 0.000 -1.294 1.650) 2.097 16.280 ( 0.000 16.707 -5.481) 17.583 18.422 ( -0.000 -1.423 -5.740) 5.914 18.527 ( -0.000 1.287 -1.705) 2.136 18.847 ( -0.000 -6.635 3.165) 7.351 18.906 ( -0.000 -5.571 0.886) 5.641 18.981 ( 0.000 1.029 8.382) 8.445 19.586 ( -0.000 -8.676 -3.283) 9.276 22.849 ( 0.000 -3.626 4.330) 5.647 23.426 ( -0.000 -10.334 -1.291) 10.415 ======================= Grid point 252 (87/116) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 4.540 16.859 2.357) 17.618 3.154 ( -6.346 22.616 16.209) 28.539 3.640 ( 11.970 11.007 15.151) 22.225 4.167 ( 4.882 11.768 -10.320) 16.395 4.401 ( 0.843 2.251 11.816) 12.058 4.932 ( -5.039 4.657 -4.104) 7.996 5.034 ( -7.429 7.103 -0.362) 10.284 5.658 ( 9.899 11.227 22.160) 26.742 5.768 ( -5.785 6.288 -0.956) 8.597 6.007 ( 3.487 6.565 -0.856) 7.483 6.375 ( 1.370 -0.487 20.463) 20.515 6.658 ( 6.575 -9.029 17.376) 20.656 7.128 ( 11.838 7.871 12.017) 18.615 7.473 ( 1.201 -2.530 5.870) 6.503 8.159 ( -3.236 -5.382 -23.884) 24.696 8.259 ( -7.113 -7.653 -16.505) 19.534 8.620 ( 0.153 -0.665 -28.680) 28.688 9.561 ( -0.166 2.666 -1.902) 3.279 9.962 ( 4.149 5.822 -0.330) 7.157 10.310 ( 1.613 10.772 -1.451) 10.988 10.424 ( -10.366 -16.323 -2.905) 19.554 10.785 ( 4.794 -8.150 5.857) 11.122 11.055 ( 1.526 0.334 3.415) 3.755 11.195 ( 2.057 -2.944 4.849) 6.035 11.331 ( -0.229 3.154 0.592) 3.218 11.594 ( -5.697 10.630 3.146) 12.464 13.056 ( -1.033 -0.971 6.071) 6.234 13.556 ( 4.462 6.114 -6.423) 9.927 14.224 ( -10.486 -8.385 14.440) 19.717 14.633 ( -2.808 -10.963 -0.610) 11.334 15.044 ( -2.632 3.658 11.437) 12.292 15.344 ( -2.384 -0.520 3.784) 4.503 15.592 ( 10.504 8.583 10.109) 16.918 16.417 ( 3.599 11.046 -5.983) 13.068 18.298 ( -7.585 -3.785 -2.270) 8.775 18.522 ( -1.022 1.296 -0.127) 1.655 18.736 ( -11.684 -6.250 4.670) 14.050 18.821 ( 2.675 -8.449 -0.555) 8.879 19.122 ( 7.475 2.911 2.169) 8.310 19.497 ( 1.932 -8.054 -1.975) 8.514 22.824 ( -1.602 -4.001 3.508) 5.558 23.294 ( -2.821 -9.046 -1.290) 9.563 ======================= Grid point 253 (88/116) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( 7.294 15.964 1.973) 17.662 3.349 ( -5.231 17.957 13.949) 23.333 3.931 ( 6.189 -4.306 9.194) 11.890 4.308 ( 2.521 9.919 -4.029) 10.999 4.511 ( 2.242 0.309 10.094) 10.345 4.730 ( -10.068 -6.413 1.002) 11.980 5.086 ( -6.958 19.615 1.685) 20.881 5.753 ( 3.495 1.579 -6.317) 7.390 5.984 ( 6.541 5.855 1.881) 8.978 6.142 ( 1.072 11.120 6.335) 12.843 6.482 ( 0.442 -6.507 17.024) 18.231 6.834 ( 6.855 -6.838 11.261) 14.852 7.460 ( 2.906 -6.836 7.589) 10.619 7.555 ( 16.954 9.401 -0.309) 19.389 7.887 ( -13.399 -8.138 -12.882) 20.290 7.947 ( -2.201 -0.059 -15.054) 15.214 8.528 ( 4.491 8.372 -16.568) 19.099 9.589 ( 0.136 4.025 0.132) 4.029 10.026 ( -10.161 -19.041 -4.344) 22.015 10.105 ( 5.724 6.023 -0.532) 8.327 10.396 ( -1.098 2.082 1.036) 2.571 10.825 ( 2.774 -4.479 2.862) 5.996 11.131 ( 4.201 0.344 5.022) 6.556 11.229 ( 1.376 -2.377 2.519) 3.727 11.350 ( -0.560 3.967 -3.262) 5.167 11.550 ( -9.246 7.762 -1.011) 12.115 13.085 ( -0.225 -5.704 11.066) 12.451 13.579 ( -3.150 3.828 -8.501) 9.841 14.100 ( -5.931 -3.762 12.905) 14.693 14.470 ( -2.909 -8.428 -2.870) 9.366 15.076 ( -5.165 2.394 8.757) 10.444 15.309 ( -0.714 -2.453 -0.115) 2.557 15.938 ( 9.965 11.042 8.206) 16.987 16.518 ( 2.531 6.580 -6.493) 9.584 18.081 ( -10.052 -8.556 2.101) 13.366 18.464 ( -11.603 -8.837 7.482) 16.392 18.540 ( -2.413 2.693 -0.085) 3.617 18.753 ( 0.733 -7.740 -3.276) 8.436 19.286 ( 7.902 2.529 -5.685) 10.058 19.484 ( 3.777 -2.429 1.665) 4.789 22.772 ( -2.284 -3.309 2.580) 4.777 23.144 ( -4.070 -7.213 -1.437) 8.406 ======================= Grid point 254 (89/116) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( -7.249 9.543 6.409) 13.590 3.599 ( 5.969 10.975 9.806) 15.882 3.890 ( -6.755 -7.622 6.890) 12.297 4.303 ( -3.805 -1.910 -8.930) 9.893 4.560 ( -4.928 -6.518 3.508) 8.893 4.626 ( 3.512 1.878 4.754) 6.202 5.177 ( -7.809 11.600 18.030) 22.817 5.819 ( 9.655 -1.101 -11.960) 15.410 6.121 ( 4.829 6.553 -1.682) 8.312 6.267 ( -4.808 5.228 13.039) 14.848 6.463 ( -2.763 -8.375 1.615) 8.966 6.833 ( -2.170 -4.448 -4.192) 6.486 7.262 ( -25.595 -3.736 -4.931) 26.332 7.632 ( 10.301 -7.039 -0.092) 12.477 7.903 ( 4.600 1.611 -8.785) 10.046 8.039 ( 21.955 9.566 -0.134) 23.949 8.708 ( 8.130 15.081 -1.871) 17.235 9.556 ( -7.130 -10.258 0.603) 12.507 9.760 ( 2.500 -1.762 -4.633) 5.551 10.255 ( 3.497 7.902 -1.656) 8.799 10.347 ( -1.105 -6.761 1.228) 6.960 10.800 ( -3.076 -2.743 0.604) 4.166 11.203 ( -2.412 -0.569 0.062) 2.479 11.244 ( 1.561 -2.320 4.172) 5.022 11.322 ( -7.844 10.750 -4.858) 14.167 11.549 ( 7.371 -0.129 4.248) 8.508 12.983 ( -9.204 -14.967 6.213) 18.636 13.481 ( -4.719 3.450 -0.806) 5.901 14.115 ( -0.219 -0.376 8.401) 8.413 14.333 ( -2.340 -5.667 -4.652) 7.696 15.055 ( -5.115 1.929 6.199) 8.265 15.263 ( -1.400 -3.838 -0.235) 4.093 16.236 ( 4.127 9.930 7.969) 13.384 16.529 ( -1.062 5.066 -8.184) 9.684 17.849 ( -7.068 -11.888 6.257) 15.180 18.235 ( -6.753 -9.956 3.040) 12.408 18.565 ( -0.476 3.852 2.322) 4.523 18.669 ( 0.458 -5.725 -3.554) 6.754 19.329 ( 0.318 1.959 -5.010) 5.389 19.608 ( 8.643 2.668 -2.141) 9.295 22.729 ( -1.468 -1.563 2.209) 3.079 22.999 ( -4.237 -5.449 -1.344) 7.032 ======================= Grid point 255 (90/116) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( -14.877 -4.062 12.476) 19.836 3.637 ( -9.462 -0.939 1.923) 9.701 3.893 ( -3.406 4.152 4.174) 6.802 4.095 ( -2.437 -9.334 -3.430) 10.239 4.396 ( -7.637 -11.008 4.017) 13.987 4.747 ( 5.613 1.431 4.302) 7.215 5.266 ( -2.676 -4.233 18.276) 18.950 5.841 ( 1.069 -0.433 -7.876) 7.960 6.158 ( -5.961 -4.377 -5.059) 8.960 6.316 ( -7.864 1.642 13.345) 15.577 6.344 ( 3.555 2.277 -0.522) 4.254 6.674 ( -32.603 3.797 3.748) 33.037 6.708 ( -8.689 2.242 -8.260) 12.196 7.863 ( 13.090 4.725 -4.613) 14.661 7.968 ( 11.998 -3.501 -8.233) 14.966 8.451 ( 18.588 5.238 -6.792) 20.471 8.945 ( 0.507 7.424 5.438) 9.216 9.391 ( 7.419 -8.122 -3.022) 11.408 9.872 ( 6.700 7.003 -1.954) 9.887 10.199 ( -3.904 -5.882 -1.597) 7.238 10.426 ( 5.123 5.814 0.180) 7.751 10.683 ( -6.971 -2.380 -0.681) 7.397 11.122 ( -6.408 1.946 -0.842) 6.750 11.179 ( -4.889 0.664 -2.733) 5.641 11.315 ( -3.750 3.183 5.990) 7.751 11.796 ( 15.184 -2.805 7.468) 17.152 12.612 ( -16.892 -13.751 0.748) 21.794 13.476 ( -0.473 -2.070 5.747) 6.126 14.153 ( 0.111 -5.477 3.948) 6.752 14.219 ( -2.549 1.381 -3.200) 4.318 15.030 ( -5.804 3.266 4.497) 8.036 15.176 ( -2.075 -7.503 1.180) 7.873 16.182 ( -20.142 -0.502 7.347) 21.446 16.649 ( 9.304 12.566 -6.274) 16.847 17.742 ( 3.047 -12.112 7.993) 14.828 18.089 ( 0.457 -10.555 -0.563) 10.580 18.617 ( 1.326 -2.216 -2.592) 3.659 18.629 ( 1.125 3.801 2.040) 4.458 19.303 ( -3.996 4.326 -1.315) 6.034 19.750 ( 8.050 3.518 -8.357) 12.125 22.731 ( 0.406 0.754 1.782) 1.977 22.884 ( -2.970 -3.928 0.440) 4.944 ======================= Grid point 262 (91/116) ======================= q-point: ( 0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 0.000 13.779 -0.424) 13.785 3.526 ( 0.000 12.397 19.176) 22.834 3.662 ( 0.000 12.285 -6.104) 13.718 4.253 ( 0.000 17.675 0.059) 17.675 4.492 ( 0.000 0.547 10.466) 10.480 5.026 ( -0.000 16.249 -11.360) 19.827 5.101 ( -0.000 -2.332 -2.721) 3.584 5.792 ( 0.000 11.567 8.763) 14.512 5.913 ( -0.000 2.974 -5.878) 6.588 5.984 ( 0.000 7.528 2.627) 7.973 6.539 ( 0.000 -0.955 26.242) 26.260 6.642 ( 0.000 -12.180 24.637) 27.484 7.174 ( 0.000 6.076 9.432) 11.219 7.423 ( -0.000 -8.962 1.271) 9.051 8.008 ( -0.000 -0.338 -17.890) 17.893 8.156 ( -0.000 -5.062 -13.284) 14.216 8.456 ( -0.000 6.549 -23.108) 24.018 9.570 ( -0.000 2.829 -2.375) 3.694 9.984 ( 0.000 5.932 0.464) 5.950 10.274 ( -0.000 -19.170 -3.942) 19.571 10.442 ( 0.000 9.847 -2.336) 10.120 10.694 ( 0.000 -9.903 8.646) 13.146 11.058 ( 0.000 -0.515 2.783) 2.831 11.175 ( 0.000 -3.161 3.476) 4.698 11.369 ( 0.000 3.380 -0.752) 3.462 11.766 ( 0.000 12.071 -2.584) 12.345 13.094 ( 0.000 -2.735 7.343) 7.836 13.533 ( -0.000 5.864 -6.024) 8.407 14.309 ( 0.000 -8.790 9.685) 13.079 14.529 ( -0.000 -10.961 -3.432) 11.485 15.159 ( 0.000 2.081 9.094) 9.329 15.375 ( -0.000 -3.378 -3.951) 5.198 15.677 ( 0.000 14.103 13.717) 19.673 16.439 ( -0.000 6.841 -5.518) 8.789 18.351 ( -0.000 0.238 -2.465) 2.476 18.508 ( -0.000 -0.804 -4.561) 4.631 18.699 ( -0.000 -10.776 1.073) 10.829 18.805 ( -0.000 -6.083 1.741) 6.327 19.094 ( 0.000 1.059 3.031) 3.210 19.401 ( -0.000 -6.268 3.198) 7.037 22.818 ( 0.000 -4.403 2.965) 5.308 23.219 ( -0.000 -8.533 -1.530) 8.669 ======================= Grid point 263 (92/116) ======================= q-point: ( 0.60 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 8.173 10.688 -1.179) 13.507 3.651 ( -4.169 9.725 6.154) 12.240 3.816 ( 6.639 3.464 0.599) 7.513 4.403 ( -2.060 10.171 -1.427) 10.475 4.530 ( 0.641 -2.394 4.779) 5.383 4.892 ( -12.620 -0.952 -2.297) 12.862 5.241 ( 7.769 19.032 -9.724) 22.740 5.790 ( -9.014 0.909 -2.496) 9.398 5.967 ( 4.254 6.428 1.211) 7.802 6.172 ( 7.647 9.144 0.512) 11.931 6.594 ( -4.014 -10.823 22.037) 24.878 6.732 ( 4.198 -10.404 10.918) 15.654 7.277 ( 5.739 -16.750 4.111) 18.177 7.426 ( 7.855 6.401 1.732) 10.279 7.940 ( -2.527 8.256 -7.014) 11.124 7.976 ( -8.166 -1.451 -8.052) 11.560 8.476 ( 3.704 15.961 -11.259) 19.881 9.604 ( 2.001 3.879 -1.605) 4.651 9.960 ( -8.284 -20.626 -2.142) 22.330 10.084 ( 3.565 5.128 0.619) 6.276 10.474 ( -4.137 2.908 -0.217) 5.061 10.720 ( 5.977 -6.216 5.411) 10.181 11.090 ( 2.810 -1.228 2.502) 3.958 11.180 ( 1.929 -3.221 2.306) 4.406 11.380 ( -0.959 2.941 -2.784) 4.162 11.782 ( -7.773 12.236 -7.523) 16.332 13.095 ( -0.631 -8.895 9.489) 13.021 13.564 ( 1.740 4.989 -8.407) 9.930 14.229 ( -5.014 -6.634 7.234) 11.022 14.399 ( -1.387 -7.621 -3.191) 8.377 15.196 ( -2.807 -1.447 4.136) 5.204 15.296 ( -0.768 -1.394 -3.133) 3.514 15.969 ( 6.640 14.153 9.209) 18.144 16.468 ( 3.153 1.390 -6.004) 6.922 18.202 ( -11.078 -3.714 -2.178) 11.885 18.518 ( 3.939 -4.517 -5.452) 8.102 18.562 ( -5.073 -8.406 1.311) 9.905 18.706 ( -4.290 -4.137 2.352) 6.407 19.166 ( 5.333 1.028 0.419) 5.447 19.432 ( 2.892 -0.492 6.036) 6.711 22.783 ( -1.122 -3.687 1.976) 4.331 23.113 ( -1.944 -7.173 -1.568) 7.595 ======================= Grid point 264 (93/116) ======================= q-point: ( 0.70 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.432 ( 9.065 5.026 -1.531) 10.478 3.700 ( -1.935 3.146 5.895) 6.956 3.903 ( 1.738 -0.966 0.996) 2.224 4.280 ( -6.769 -6.502 -9.684) 13.486 4.576 ( -1.233 -1.718 1.628) 2.669 4.692 ( -5.936 2.647 -0.242) 6.504 5.521 ( 8.080 17.422 -3.750) 19.567 5.600 ( -9.269 -5.223 -1.501) 10.745 6.087 ( 3.708 3.880 1.429) 5.554 6.348 ( 2.912 1.753 0.034) 3.399 6.536 ( -4.539 -9.755 13.996) 17.653 6.725 ( 4.240 -3.969 -6.371) 8.621 7.221 ( 12.556 -20.922 -0.772) 24.413 7.632 ( -8.392 3.643 -1.760) 9.316 7.781 ( 1.991 3.302 2.718) 4.717 8.021 ( -0.995 16.015 1.863) 16.154 8.721 ( 8.468 19.704 -2.863) 21.637 9.577 ( -10.949 -19.114 -1.184) 22.059 9.699 ( 3.450 6.039 0.631) 6.984 10.223 ( 5.634 4.217 1.239) 7.145 10.375 ( -5.805 -2.119 -1.360) 6.327 10.779 ( 2.414 -4.806 2.583) 5.966 11.174 ( 5.276 -2.744 3.083) 6.698 11.204 ( 2.710 -2.682 2.587) 4.608 11.372 ( 1.294 3.046 -4.614) 5.679 11.672 ( -11.360 10.738 -6.928) 17.098 12.983 ( -4.461 -17.293 5.750) 18.762 13.544 ( -1.981 2.951 -6.832) 7.701 14.179 ( -1.412 -2.297 7.657) 8.118 14.282 ( -2.090 -4.690 -4.714) 6.971 15.133 ( -1.476 -2.384 -0.517) 2.851 15.259 ( -2.024 -2.159 -0.411) 2.988 16.283 ( 7.575 14.370 5.546) 17.165 16.484 ( 3.903 -3.308 -5.701) 7.660 17.932 ( -11.672 -7.817 -1.258) 14.104 18.272 ( -9.122 -12.726 -0.972) 15.688 18.587 ( 2.016 0.984 0.786) 2.377 18.629 ( -2.173 -1.884 0.069) 2.877 19.280 ( 5.507 2.232 -0.725) 5.986 19.539 ( 3.201 3.506 4.176) 6.323 22.745 ( -0.966 -1.865 1.126) 2.383 22.996 ( -2.944 -5.663 -1.385) 6.531 ======================= Grid point 265 (94/116) ======================= q-point: (-0.20 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( -4.755 -8.235 0.000) 9.510 3.721 ( -2.054 -3.557 -0.000) 4.108 3.960 ( 2.701 4.678 -0.000) 5.402 4.014 ( -6.449 -11.169 -0.000) 12.897 4.408 ( -6.856 -11.875 -0.000) 13.712 4.740 ( 1.938 3.357 -0.000) 3.877 5.349 ( -7.883 -13.654 0.000) 15.766 5.782 ( 6.624 11.474 -0.000) 13.249 6.180 ( 0.896 1.552 0.000) 1.792 6.297 ( -2.967 -5.138 -0.000) 5.933 6.463 ( -0.903 -1.565 -0.000) 1.807 6.755 ( 1.524 2.639 -0.000) 3.047 7.290 ( -6.073 -10.518 0.000) 12.145 7.366 ( 1.840 3.186 -0.000) 3.679 7.967 ( 4.534 7.854 -0.000) 9.069 8.234 ( 7.043 12.199 0.000) 14.086 9.062 ( 9.846 17.053 0.000) 19.691 9.216 ( -9.366 -16.223 -0.000) 18.733 9.840 ( 4.367 7.564 -0.000) 8.734 10.199 ( -4.449 -7.705 -0.000) 8.897 10.412 ( 5.020 8.694 -0.000) 10.039 10.731 ( -2.995 -5.187 -0.000) 5.989 11.184 ( -0.787 -1.363 0.000) 1.574 11.209 ( -1.727 -2.992 0.000) 3.454 11.513 ( 4.942 8.560 -0.000) 9.884 11.557 ( -0.478 -0.828 0.000) 0.956 12.697 ( -9.673 -16.755 0.000) 19.347 13.486 ( -1.875 -3.248 0.000) 3.751 14.135 ( -3.338 -5.781 0.000) 6.676 14.245 ( 1.469 2.544 -0.000) 2.938 15.115 ( 0.320 0.554 -0.000) 0.639 15.159 ( -4.018 -6.960 -0.000) 8.037 16.415 ( -4.063 -7.037 -0.000) 8.126 16.593 ( 8.596 14.888 -0.000) 17.191 17.666 ( -6.487 -11.237 -0.000) 12.975 18.026 ( -5.469 -9.473 -0.000) 10.939 18.581 ( -0.723 -1.252 -0.000) 1.446 18.648 ( 1.715 2.971 -0.000) 3.431 19.373 ( 2.146 3.717 -0.000) 4.292 19.652 ( 2.958 5.124 0.000) 5.916 22.737 ( 0.333 0.578 -0.000) 0.667 22.891 ( -2.549 -4.415 -0.000) 5.098 ======================= Grid point 274 (95/116) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( -0.000 4.637 -4.889) 6.739 3.737 ( -0.000 12.577 -14.384) 19.107 3.844 ( 0.000 -6.143 17.117) 18.186 4.465 ( -0.000 -6.321 -4.578) 7.805 4.500 ( -0.000 4.378 -5.420) 6.968 5.006 ( -0.000 0.057 -5.025) 5.025 5.242 ( -0.000 18.543 -12.992) 22.641 5.905 ( 0.000 2.703 1.143) 2.935 5.977 ( 0.000 5.521 -1.890) 5.836 6.181 ( 0.000 8.857 -0.760) 8.890 6.545 ( -0.000 -17.099 2.505) 17.281 6.698 ( 0.000 -15.086 18.307) 23.722 7.022 ( -0.000 -25.802 -1.365) 25.838 7.471 ( 0.000 7.328 9.860) 12.285 8.030 ( 0.000 4.895 -2.209) 5.370 8.074 ( 0.000 17.235 1.578) 17.307 8.568 ( 0.000 19.851 -5.304) 20.547 9.603 ( -0.000 3.472 -2.094) 4.055 9.845 ( -0.000 -16.876 0.688) 16.890 10.106 ( 0.000 4.921 1.256) 5.079 10.570 ( 0.000 4.343 -2.171) 4.856 10.598 ( 0.000 -10.608 7.325) 12.891 11.058 ( -0.000 -2.462 1.204) 2.740 11.143 ( -0.000 -3.168 1.181) 3.381 11.388 ( -0.000 1.249 -3.920) 4.114 11.916 ( -0.000 14.024 -11.993) 18.452 13.043 ( -0.000 -15.524 7.450) 17.218 13.534 ( -0.000 4.238 -8.418) 9.425 14.214 ( -0.000 -5.477 -1.522) 5.684 14.356 ( -0.000 -4.747 2.503) 5.366 15.161 ( -0.000 -7.188 -6.843) 9.925 15.298 ( 0.000 1.464 1.367) 2.003 16.125 ( 0.000 14.985 9.351) 17.663 16.363 ( -0.000 -6.538 -7.927) 10.275 18.275 ( -0.000 -9.781 -11.021) 14.735 18.368 ( 0.000 2.742 0.564) 2.800 18.521 ( -0.000 -4.765 -4.221) 6.366 18.730 ( 0.000 -4.629 3.183) 5.618 19.143 ( 0.000 -0.606 5.152) 5.187 19.477 ( 0.000 3.285 9.920) 10.450 22.767 ( -0.000 -3.059 0.734) 3.146 23.051 ( -0.000 -6.413 -1.463) 6.578 ======================= Grid point 275 (96/116) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 9.878 -0.449 -7.021) 12.127 3.735 ( -1.713 -1.415 -5.257) 5.707 3.857 ( 2.737 -5.340 2.030) 6.334 4.278 ( -6.487 -4.774 -7.620) 11.088 4.518 ( 4.524 -4.274 -6.344) 8.888 4.860 ( -11.269 2.832 -5.358) 12.795 5.345 ( 5.685 8.349 -19.045) 21.557 5.869 ( -9.350 2.542 8.552) 12.924 6.084 ( 4.888 6.223 1.637) 8.081 6.276 ( 6.506 0.500 -8.031) 10.348 6.426 ( 2.199 -13.177 0.999) 13.397 6.639 ( 0.912 -12.605 10.699) 16.559 6.780 ( 6.498 -30.681 -1.353) 31.391 7.660 ( 4.702 6.983 9.941) 13.027 8.028 ( -9.694 10.168 3.414) 14.457 8.271 ( -2.289 20.114 5.922) 21.092 8.766 ( 4.537 16.570 -3.753) 17.585 9.578 ( -6.196 -5.419 -0.948) 8.286 9.738 ( 0.643 2.281 4.101) 4.736 10.190 ( 3.259 3.087 1.361) 4.691 10.453 ( -6.099 -3.033 0.661) 6.844 10.670 ( 5.728 -5.128 2.411) 8.057 11.066 ( 4.021 -3.608 0.834) 5.467 11.141 ( 2.503 -2.967 1.052) 4.022 11.352 ( -0.682 -0.413 -5.340) 5.399 11.899 ( -7.463 13.514 -12.149) 19.645 12.877 ( -2.149 -22.080 3.761) 22.501 13.523 ( 0.925 2.827 -9.051) 9.527 14.176 ( 1.314 -1.018 -1.645) 2.338 14.294 ( -4.542 -4.462 2.803) 6.957 15.048 ( 2.305 -6.418 -7.829) 10.382 15.288 ( -2.966 -0.919 0.137) 3.109 16.253 ( 6.163 -14.129 -8.336) 17.524 16.369 ( 4.208 14.742 7.083) 16.888 18.025 ( -9.063 -5.407 -9.431) 14.153 18.304 ( -7.655 -4.760 -2.134) 9.264 18.537 ( 5.403 1.967 -2.474) 6.260 18.676 ( -3.744 -2.607 3.417) 5.700 19.208 ( 4.157 -1.276 4.576) 6.313 19.609 ( 0.858 6.568 10.044) 12.032 22.741 ( -0.273 -1.435 -0.498) 1.543 22.970 ( -1.469 -5.411 -1.265) 5.748 ======================= Grid point 285 (97/116) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -0.000 -3.054 -9.449) 9.930 3.654 ( -0.000 -23.334 -3.606) 23.611 3.726 ( -0.000 1.542 -10.715) 10.825 4.287 ( -0.000 -5.733 -17.474) 18.391 4.300 ( -0.000 -3.983 -1.184) 4.156 4.977 ( -0.000 6.307 -7.906) 10.114 5.242 ( -0.000 4.901 -18.931) 19.555 5.971 ( -0.000 -10.632 -13.447) 17.143 6.079 ( 0.000 2.077 13.421) 13.580 6.101 ( -0.000 -7.940 1.704) 8.121 6.321 ( -0.000 -14.844 -1.680) 14.939 6.475 ( -0.000 -15.291 6.845) 16.753 6.528 ( -0.000 -17.901 7.575) 19.438 7.770 ( 0.000 6.294 12.004) 13.554 8.274 ( 0.000 14.702 6.462) 16.059 8.521 ( 0.000 17.791 4.605) 18.377 8.853 ( 0.000 13.350 -2.261) 13.540 9.645 ( -0.000 3.410 -1.948) 3.928 9.785 ( 0.000 7.081 5.417) 8.916 10.198 ( 0.000 1.885 1.427) 2.364 10.496 ( 0.000 -9.260 7.474) 11.900 10.568 ( -0.000 0.647 -3.781) 3.836 10.989 ( -0.000 -4.659 -1.181) 4.806 11.091 ( -0.000 -3.046 0.427) 3.076 11.306 ( -0.000 -2.580 -5.134) 5.746 12.004 ( -0.000 12.829 -13.774) 18.823 12.677 ( -0.000 -25.952 1.940) 26.025 13.469 ( -0.000 2.253 -10.261) 10.505 14.145 ( -0.000 0.711 -2.527) 2.625 14.328 ( 0.000 -3.259 3.347) 4.672 14.870 ( -0.000 -8.623 -11.001) 13.978 15.317 ( -0.000 -0.378 -0.437) 0.578 15.935 ( -0.000 -23.398 -9.643) 25.307 16.525 ( 0.000 14.051 7.410) 15.885 17.988 ( -0.000 -1.997 -11.348) 11.522 18.367 ( -0.000 -1.261 -9.236) 9.321 18.463 ( 0.000 4.867 1.722) 5.163 18.716 ( 0.000 -1.937 4.331) 4.744 19.185 ( 0.000 -3.893 6.608) 7.669 19.759 ( 0.000 8.544 12.727) 15.329 22.725 ( -0.000 -0.284 -1.929) 1.950 22.923 ( -0.000 -4.914 -1.156) 5.048 ======================= Grid point 342 (98/116) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 0.000 0.000 31.554) 31.554 2.209 ( 0.000 0.000 31.554) 31.554 2.325 ( 0.000 0.000 0.127) 0.127 4.100 ( -0.000 -0.000 -10.311) 10.311 4.100 ( -0.000 -0.000 -10.311) 10.311 4.571 ( 0.000 0.000 65.565) 65.565 4.915 ( 0.000 0.000 7.979) 7.979 4.915 ( 0.000 0.000 7.979) 7.979 5.678 ( -0.000 -0.000 -3.218) 3.218 5.678 ( -0.000 -0.000 -3.218) 3.218 6.196 ( 0.000 0.000 7.508) 7.508 6.589 ( 0.000 0.000 8.139) 8.139 6.977 ( 0.000 -0.000 15.634) 15.634 6.977 ( 0.000 0.000 15.634) 15.634 8.813 ( -0.000 -0.000 -23.649) 23.649 8.813 ( -0.000 -0.000 -23.649) 23.649 9.252 ( -0.000 -0.000 -36.984) 36.984 9.577 ( -0.000 -0.000 -1.115) 1.115 9.727 ( -0.000 -0.000 -2.687) 2.687 9.727 ( -0.000 -0.000 -2.687) 2.687 10.949 ( 0.000 0.000 1.433) 1.433 10.980 ( 0.000 0.000 16.449) 16.449 10.980 ( 0.000 0.000 16.449) 16.449 11.135 ( -0.000 -0.000 -9.073) 9.073 11.167 ( 0.000 0.000 9.515) 9.515 11.167 ( 0.000 0.000 9.515) 9.515 13.208 ( -0.000 -0.000 -2.933) 2.933 13.208 ( -0.000 -0.000 -2.933) 2.933 14.764 ( 0.000 0.000 15.954) 15.954 14.764 ( 0.000 0.000 15.954) 15.954 14.810 ( 0.000 0.000 9.309) 9.309 15.304 ( 0.000 0.000 13.887) 13.887 15.426 ( 0.000 0.000 3.822) 3.822 15.426 ( 0.000 0.000 3.822) 3.822 18.514 ( -0.000 -0.000 -6.870) 6.870 18.514 ( -0.000 -0.000 -6.870) 6.870 18.812 ( 0.000 0.000 14.554) 14.554 19.042 ( -0.000 -0.000 0.321) 0.321 19.042 ( 0.000 0.000 0.321) 0.321 19.762 ( 0.000 0.000 1.305) 1.305 22.894 ( 0.000 0.000 5.907) 5.907 23.723 ( -0.000 -0.000 -5.631) 5.631 ======================= Grid point 343 (99/116) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -0.334 -0.193 26.857) 26.860 2.442 ( 7.703 4.448 3.000) 9.387 2.851 ( 24.282 14.019 27.974) 39.607 4.049 ( 5.664 3.270 -15.128) 16.481 4.128 ( 6.264 3.617 -8.016) 10.797 4.899 ( -3.197 -1.846 7.153) 8.049 4.939 ( -4.452 -2.570 20.696) 21.325 5.109 ( 7.332 4.233 42.692) 43.524 5.578 ( -2.414 -1.394 0.348) 2.809 5.818 ( 8.070 4.659 -3.772) 10.053 6.240 ( 0.071 0.041 7.293) 7.294 6.747 ( 9.119 5.265 10.763) 15.057 6.911 ( -6.264 -3.616 15.571) 17.169 7.262 ( 6.420 3.707 15.380) 17.074 8.574 ( -5.304 -3.062 -26.311) 27.014 8.613 ( -4.242 -2.449 -22.239) 22.772 8.955 ( -2.656 -1.533 -37.672) 37.796 9.545 ( -1.523 -0.879 -1.396) 2.246 9.780 ( 5.033 2.906 -1.668) 6.046 9.835 ( 10.105 5.834 -2.342) 11.901 10.880 ( -10.834 -6.255 6.016) 13.881 10.956 ( -0.205 -0.118 1.576) 1.594 11.073 ( -1.125 -0.649 3.147) 3.404 11.204 ( 3.057 1.765 9.852) 10.466 11.225 ( 0.260 0.150 10.094) 10.098 11.261 ( 2.535 1.463 5.867) 6.557 13.071 ( -3.953 -2.282 -1.184) 4.715 13.353 ( 8.407 4.854 -4.912) 10.880 14.545 ( -18.555 -10.713 16.190) 26.855 14.852 ( -1.005 -0.580 15.856) 15.898 14.952 ( -4.796 -2.769 6.660) 8.662 15.258 ( 4.927 2.845 15.220) 16.248 15.431 ( -1.090 -0.629 2.324) 2.643 15.859 ( 19.150 11.057 -1.499) 22.164 18.448 ( -2.253 -1.301 -3.789) 4.596 18.469 ( -0.349 -0.201 -5.995) 6.008 18.921 ( -3.764 -2.173 9.055) 10.043 18.967 ( -0.146 -0.084 3.768) 3.772 19.041 ( -1.109 -0.640 -0.393) 1.339 19.743 ( -2.248 -1.298 -0.008) 2.596 22.910 ( -2.093 -1.208 5.634) 6.130 23.610 ( -5.949 -3.435 -4.434) 8.176 ======================= Grid point 344 (100/116) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 8.512 4.914 23.882) 25.825 2.664 ( 9.479 5.472 2.654) 11.262 3.593 ( 22.259 12.851 27.638) 37.742 4.157 ( 13.048 7.533 -15.936) 21.931 4.254 ( 7.384 4.263 -3.479) 9.208 4.820 ( -12.872 -7.432 9.279) 17.522 4.863 ( -4.127 -2.383 7.001) 8.469 5.595 ( 3.513 2.028 2.018) 4.531 5.607 ( 12.101 6.987 28.155) 31.431 5.913 ( 1.585 0.915 -3.132) 3.628 6.382 ( 5.289 3.054 16.965) 18.031 6.912 ( -0.903 -0.522 11.860) 11.906 7.125 ( 16.434 9.488 9.655) 21.291 7.466 ( 2.011 1.161 13.708) 13.903 8.234 ( -7.349 -4.243 -27.370) 28.655 8.310 ( -9.630 -5.560 -20.066) 22.941 8.652 ( -1.680 -0.970 -33.765) 33.820 9.510 ( -0.598 -0.345 -0.942) 1.168 9.904 ( 6.376 3.681 -1.426) 7.499 10.101 ( 12.793 7.386 -0.555) 14.782 10.600 ( -14.491 -8.366 -0.061) 16.733 10.953 ( -1.050 -0.606 1.050) 1.603 11.117 ( 0.886 0.511 8.786) 8.846 11.229 ( -1.793 -1.035 3.914) 4.428 11.305 ( -1.354 -0.782 4.562) 4.822 11.350 ( 2.468 1.425 3.695) 4.666 13.041 ( 0.664 0.383 4.717) 4.779 13.490 ( 6.505 3.756 -7.974) 10.955 14.258 ( -16.167 -9.334 18.947) 26.598 14.800 ( -9.123 -5.267 1.494) 10.639 14.927 ( -1.918 -1.107 15.209) 15.370 15.408 ( -1.635 -0.944 0.411) 1.932 15.557 ( 10.238 5.911 13.123) 17.663 16.203 ( 13.311 7.685 -6.261) 16.597 18.355 ( -5.408 -3.122 1.849) 6.513 18.421 ( -0.425 -0.245 -4.872) 4.897 18.727 ( -12.980 -7.494 7.462) 16.743 18.989 ( -2.803 -1.618 -1.353) 3.508 19.136 ( 8.298 4.791 1.682) 9.728 19.663 ( -3.734 -2.156 -2.292) 4.884 22.876 ( -3.830 -2.211 4.472) 6.289 23.423 ( -7.788 -4.496 -2.834) 9.429 ======================= Grid point 345 (101/116) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 4.893 2.825 12.535) 13.750 2.988 ( 15.855 9.154 11.906) 21.839 4.134 ( 9.575 5.528 16.295) 19.692 4.366 ( 1.812 1.046 2.066) 2.941 4.431 ( 10.211 5.895 -4.423) 12.592 4.541 ( -9.042 -5.221 10.096) 14.524 4.823 ( -3.557 -2.053 8.945) 9.843 5.759 ( 9.844 5.684 -0.694) 11.389 5.896 ( -0.969 -0.559 0.382) 1.182 5.980 ( 10.200 5.889 3.733) 12.355 6.582 ( 0.021 0.012 15.600) 15.601 7.074 ( 5.053 2.917 14.582) 15.706 7.442 ( -11.403 -6.584 0.359) 13.173 7.579 ( 19.875 11.475 -0.049) 22.949 7.917 ( -12.994 -7.502 -13.868) 20.432 7.981 ( 1.889 1.091 -16.387) 16.531 8.470 ( 4.339 2.505 -22.834) 23.377 9.512 ( 1.086 0.627 0.320) 1.294 10.037 ( 5.967 3.445 -1.707) 7.099 10.228 ( -14.616 -8.438 0.689) 16.891 10.375 ( 7.607 4.392 -0.754) 8.816 10.904 ( -3.908 -2.256 -1.136) 4.653 11.175 ( -4.250 -2.454 -0.269) 4.915 11.220 ( 2.445 1.412 8.132) 8.608 11.248 ( -3.345 -1.931 -0.521) 3.898 11.449 ( 4.821 2.783 4.501) 7.159 13.153 ( 3.991 2.304 10.022) 11.031 13.470 ( -5.238 -3.024 -6.860) 9.146 14.105 ( -6.939 -4.006 14.374) 16.456 14.597 ( -7.829 -4.520 -1.687) 9.197 14.965 ( -3.744 -2.161 14.191) 14.835 15.368 ( -1.542 -0.890 -1.091) 2.088 15.868 ( 10.004 5.776 9.336) 14.853 16.379 ( 6.141 3.546 -7.637) 10.422 18.217 ( -9.917 -5.726 7.936) 13.932 18.391 ( 0.491 0.284 -3.601) 3.646 18.493 ( -11.217 -6.476 9.061) 15.808 18.901 ( -3.571 -2.062 -2.478) 4.811 19.313 ( 7.083 4.090 -7.234) 10.919 19.576 ( -1.029 -0.594 -1.676) 2.055 22.807 ( -4.200 -2.425 3.171) 5.794 23.229 ( -7.651 -4.417 -2.087) 9.077 ======================= Grid point 346 (102/116) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 2.028 1.171 9.557) 9.840 3.434 ( 14.119 8.151 13.688) 21.287 4.094 ( -19.105 -11.030 0.948) 22.081 4.315 ( 0.899 0.519 5.411) 5.510 4.348 ( -5.996 -3.462 8.845) 11.232 4.849 ( 0.389 0.224 9.872) 9.882 4.918 ( 13.051 7.535 16.356) 22.240 5.908 ( 0.402 0.232 6.488) 6.505 5.982 ( 10.389 5.998 -6.012) 13.418 6.134 ( 3.392 1.958 -0.894) 4.018 6.582 ( -4.389 -2.534 -2.080) 5.478 6.989 ( -21.122 -12.195 0.541) 24.396 7.019 ( -18.977 -10.956 -11.563) 24.776 7.689 ( 3.517 2.031 -5.576) 6.898 8.060 ( 9.163 5.290 -5.557) 11.951 8.086 ( 22.596 13.046 -1.480) 26.134 8.573 ( 12.074 6.971 -5.297) 14.914 9.563 ( 2.665 1.539 1.711) 3.521 9.897 ( -10.963 -6.330 -3.662) 13.178 10.142 ( 4.266 2.463 -2.097) 5.354 10.512 ( 2.812 1.623 3.214) 4.569 10.738 ( -8.169 -4.716 -5.917) 11.135 11.072 ( -3.875 -2.237 -0.143) 4.477 11.168 ( -3.271 -1.888 -1.275) 3.986 11.297 ( 0.080 0.046 5.161) 5.162 11.672 ( 10.206 5.892 9.559) 15.174 13.162 ( -17.583 -10.152 -3.188) 20.552 13.325 ( 3.938 2.273 11.425) 12.296 14.105 ( -0.550 -0.318 6.857) 6.887 14.439 ( -4.576 -2.642 -3.616) 6.403 14.946 ( -6.029 -3.481 12.552) 14.354 15.332 ( -0.823 -0.475 -1.025) 1.398 16.107 ( 2.224 1.284 10.584) 10.891 16.389 ( 2.503 1.445 -10.408) 10.802 18.041 ( -9.626 -5.557 11.321) 15.865 18.373 ( -5.157 -2.977 9.310) 11.052 18.401 ( 2.303 1.329 -2.391) 3.576 18.801 ( -3.172 -1.832 -3.605) 5.139 19.300 ( -1.475 -0.852 -9.323) 9.478 19.645 ( 7.400 4.272 -5.622) 10.228 22.744 ( -2.770 -1.599 2.502) 4.061 23.053 ( -6.584 -3.802 -1.366) 7.725 ======================= Grid point 353 (103/116) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 0.000 10.031 0.442) 10.041 2.632 ( 0.000 12.180 27.677) 30.239 2.938 ( 0.000 19.262 24.274) 30.988 3.888 ( -0.000 2.081 -17.580) 17.703 4.101 ( -0.000 12.864 -9.951) 16.264 4.928 ( 0.000 -5.512 8.044) 9.751 5.092 ( 0.000 2.573 5.524) 6.094 5.388 ( 0.000 0.601 41.221) 41.226 5.664 ( 0.000 4.956 5.456) 7.371 5.748 ( 0.000 5.203 -2.666) 5.846 6.307 ( 0.000 0.512 13.640) 13.650 6.783 ( 0.000 6.435 9.969) 11.866 6.994 ( 0.000 -11.959 19.792) 23.125 7.383 ( 0.000 7.504 14.947) 16.725 8.391 ( -0.000 -6.233 -27.098) 27.805 8.472 ( -0.000 -2.553 -22.244) 22.390 8.683 ( -0.000 -1.835 -40.804) 40.846 9.543 ( -0.000 -0.977 -1.347) 1.664 9.756 ( 0.000 4.827 -0.916) 4.913 9.834 ( 0.000 12.579 -1.905) 12.723 10.938 ( -0.000 -8.505 -5.131) 9.933 10.948 ( 0.000 -3.270 3.646) 4.897 11.064 ( 0.000 -4.448 11.585) 12.410 11.257 ( 0.000 -2.010 6.579) 6.879 11.278 ( 0.000 1.792 4.549) 4.889 11.356 ( 0.000 7.772 10.382) 12.969 13.080 ( -0.000 -2.026 -1.079) 2.295 13.298 ( -0.000 7.371 -5.087) 8.956 14.695 ( 0.000 -13.894 12.409) 18.629 14.994 ( 0.000 -7.128 4.262) 8.305 14.999 ( 0.000 1.453 13.855) 13.931 15.240 ( 0.000 -1.367 15.561) 15.621 15.463 ( 0.000 -0.591 1.047) 1.203 15.873 ( 0.000 21.186 -0.605) 21.195 18.411 ( -0.000 -1.182 -5.205) 5.337 18.457 ( -0.000 2.400 -4.803) 5.369 18.975 ( 0.000 -2.715 6.993) 7.502 19.001 ( -0.000 -3.433 0.558) 3.478 19.028 ( 0.000 -0.936 3.615) 3.734 19.731 ( -0.000 -5.796 1.212) 5.922 22.950 ( 0.000 -2.671 5.688) 6.284 23.576 ( -0.000 -6.340 -4.831) 7.971 ======================= Grid point 354 (104/116) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 5.851 13.364 1.526) 14.669 2.866 ( -6.198 16.932 22.770) 29.045 3.504 ( 21.966 14.319 18.404) 32.035 3.891 ( 8.102 6.929 -14.949) 18.361 4.230 ( 4.614 16.480 -6.807) 18.418 4.908 ( -1.960 -5.436 6.609) 8.779 5.047 ( -9.020 -1.330 3.521) 9.774 5.621 ( 2.395 4.132 8.103) 9.406 5.704 ( -0.175 3.306 12.149) 12.592 5.876 ( 4.041 5.081 -1.132) 6.590 6.498 ( 3.204 3.382 30.034) 30.393 6.944 ( 1.313 -1.518 10.523) 10.713 7.072 ( 7.418 -0.032 17.019) 18.566 7.550 ( 1.709 1.898 13.553) 13.792 8.096 ( -4.451 -6.136 -27.876) 28.889 8.243 ( -5.422 -3.609 -22.413) 23.341 8.409 ( 0.919 -0.376 -35.235) 35.249 9.520 ( -0.777 0.343 -1.102) 1.391 9.847 ( 4.372 5.336 -0.535) 6.919 10.024 ( 6.931 14.082 -1.283) 15.748 10.707 ( -9.941 -12.484 -1.709) 16.050 10.946 ( 0.526 -3.423 2.323) 4.170 11.120 ( 2.298 -3.882 8.930) 10.004 11.280 ( -0.194 -1.671 4.195) 4.520 11.311 ( 0.636 -0.290 2.064) 2.179 11.451 ( -3.826 6.634 3.835) 8.565 13.075 ( 0.132 1.457 4.295) 4.538 13.381 ( 5.084 6.362 -7.566) 11.116 14.527 ( -12.127 -11.534 13.903) 21.758 14.851 ( -5.275 -10.840 -0.699) 12.076 15.075 ( -2.554 1.803 12.963) 13.334 15.393 ( 0.446 -1.930 3.048) 3.635 15.532 ( 8.453 4.782 8.349) 12.808 16.113 ( 6.510 15.222 -3.596) 16.942 18.349 ( -1.793 -2.977 -2.825) 4.478 18.453 ( -0.769 3.499 -2.758) 4.521 18.886 ( -7.971 -5.511 3.444) 10.285 18.965 ( 0.092 -5.602 0.149) 5.605 19.095 ( 3.085 1.822 3.885) 5.285 19.653 ( -1.588 -7.416 0.047) 7.584 22.933 ( -2.320 -3.809 4.616) 6.419 23.443 ( -3.836 -7.132 -3.541) 8.838 ======================= Grid point 355 (105/116) ======================= q-point: ( 0.60 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 8.815 14.544 1.507) 17.073 3.103 ( -1.422 15.860 20.157) 25.688 4.000 ( 18.382 1.054 -13.410) 22.778 4.113 ( 10.818 8.552 11.784) 18.139 4.487 ( 7.730 16.368 3.812) 18.498 4.809 ( -12.240 0.486 2.667) 12.536 4.888 ( -3.911 -6.402 5.180) 9.116 5.691 ( 2.560 2.521 1.273) 3.812 5.894 ( 5.896 4.302 0.478) 7.314 5.961 ( 2.033 8.196 2.062) 8.693 6.731 ( -3.869 -3.697 24.058) 24.646 7.063 ( 6.023 -4.426 18.133) 19.613 7.373 ( 14.403 7.211 -0.074) 16.107 7.594 ( -7.670 -2.822 2.879) 8.665 7.832 ( 2.010 -1.064 -15.485) 15.651 7.934 ( -9.105 -4.708 -17.943) 20.664 8.262 ( 4.866 4.633 -22.371) 23.358 9.522 ( 0.172 2.265 -0.052) 2.273 9.980 ( 4.985 5.696 -0.906) 7.624 10.281 ( 8.404 8.816 0.029) 12.180 10.358 ( -13.090 -15.095 -0.680) 19.992 10.918 ( -1.365 -3.447 0.292) 3.719 11.181 ( 2.012 -2.166 5.005) 5.813 11.267 ( -2.165 -0.256 1.716) 2.774 11.304 ( -2.357 -0.402 -1.019) 2.599 11.455 ( -0.796 3.245 3.250) 4.661 13.178 ( 3.159 2.290 9.766) 10.517 13.442 ( 1.509 3.790 -9.722) 10.543 14.313 ( -11.415 -8.173 13.528) 19.497 14.631 ( -5.926 -9.514 -3.706) 11.806 15.120 ( -3.893 0.571 11.930) 12.562 15.353 ( -0.594 -2.722 -2.281) 3.601 15.812 ( 9.711 7.169 5.713) 13.354 16.313 ( 5.004 9.566 -3.840) 11.458 18.253 ( -2.701 -7.274 0.815) 7.802 18.459 ( -2.523 4.823 0.310) 5.452 18.680 ( -11.914 -7.462 6.873) 15.648 18.883 ( -1.274 -6.629 -2.482) 7.192 19.201 ( 5.340 2.686 -3.019) 6.697 19.558 ( -1.065 -4.566 -1.254) 4.854 22.867 ( -3.610 -3.953 3.033) 6.153 23.272 ( -5.492 -6.643 -2.249) 8.908 ======================= Grid point 356 (106/116) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 0.518 12.971 4.682) 13.800 3.437 ( 8.505 12.815 15.718) 21.991 4.078 ( 1.715 -4.652 -12.956) 13.872 4.306 ( 1.149 -3.814 7.596) 8.577 4.571 ( -6.823 1.133 1.522) 7.082 4.810 ( 3.428 -8.025 6.466) 10.861 4.976 ( 6.393 17.710 15.236) 24.221 5.796 ( 9.003 -1.298 -3.423) 9.719 5.976 ( 1.046 6.855 -0.437) 6.948 6.147 ( 3.320 9.790 3.576) 10.939 6.659 ( -9.006 -7.426 7.930) 14.112 7.003 ( -7.012 -14.614 -7.881) 18.023 7.314 ( -20.356 -3.295 -3.100) 20.852 7.628 ( 0.173 3.700 -11.956) 12.516 7.839 ( 17.826 8.913 2.514) 20.088 7.888 ( 9.249 -2.390 -1.400) 9.655 8.412 ( 12.590 12.066 -5.212) 18.201 9.570 ( 1.059 3.698 1.546) 4.146 9.965 ( -11.694 -15.571 -2.390) 19.619 10.107 ( 3.524 5.802 -1.555) 6.964 10.449 ( 4.633 -0.920 1.974) 5.119 10.818 ( -6.427 -1.134 -3.477) 7.395 11.149 ( -5.462 2.743 -3.046) 6.829 11.214 ( -3.838 -0.234 -0.937) 3.957 11.308 ( 1.982 -0.894 4.362) 4.874 11.593 ( 9.759 0.827 8.956) 13.271 13.242 ( -6.330 -7.933 0.002) 10.149 13.401 ( -0.067 4.915 3.045) 5.782 14.193 ( -4.862 -2.933 8.497) 10.219 14.435 ( -3.955 -6.920 -4.593) 9.199 15.109 ( -5.530 -1.585 9.909) 11.457 15.311 ( 0.182 -1.794 -2.233) 2.870 16.080 ( 9.941 9.013 1.212) 13.473 16.395 ( -2.208 4.509 -1.769) 5.323 18.127 ( -3.462 -11.615 5.733) 13.408 18.423 ( -7.856 -2.317 3.348) 8.848 18.510 ( -3.804 0.181 5.027) 6.307 18.772 ( -1.192 -6.599 -3.681) 7.650 19.248 ( 1.186 1.853 -7.069) 7.404 19.544 ( 3.501 1.343 -3.911) 5.418 22.789 ( -3.060 -2.841 1.723) 4.517 23.103 ( -5.608 -5.578 -1.034) 7.978 ======================= Grid point 364 (107/116) ======================= q-point: ( 0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 0.000 15.820 -0.505) 15.828 3.323 ( 0.000 19.809 22.582) 30.039 3.417 ( -0.000 8.132 -5.946) 10.074 3.905 ( 0.000 17.903 2.265) 18.046 4.326 ( 0.000 20.618 -6.482) 21.613 4.897 ( -0.000 -6.863 3.267) 7.601 5.121 ( -0.000 -1.535 -2.582) 3.004 5.690 ( 0.000 5.299 7.709) 9.354 5.794 ( -0.000 4.199 -4.946) 6.488 5.877 ( 0.000 4.144 3.513) 5.432 6.740 ( 0.000 2.246 37.646) 37.713 7.059 ( 0.000 8.734 5.326) 10.230 7.067 ( 0.000 -12.299 25.844) 28.622 7.599 ( 0.000 -4.035 7.210) 8.262 7.891 ( -0.000 -3.438 -27.191) 27.407 8.132 ( -0.000 -3.010 -17.927) 18.178 8.171 ( -0.000 4.130 -29.562) 29.849 9.520 ( -0.000 0.699 -1.414) 1.577 9.866 ( 0.000 6.308 0.385) 6.320 10.116 ( 0.000 16.729 -1.406) 16.788 10.637 ( -0.000 -16.141 -3.460) 16.507 10.916 ( 0.000 -5.874 4.579) 7.448 11.117 ( 0.000 -3.483 7.458) 8.231 11.269 ( 0.000 -3.562 3.571) 5.043 11.327 ( 0.000 0.777 0.368) 0.860 11.568 ( 0.000 6.915 -1.896) 7.171 13.128 ( 0.000 2.851 6.447) 7.049 13.354 ( -0.000 7.050 -7.580) 10.352 14.592 ( 0.000 -12.340 9.769) 15.739 14.751 ( -0.000 -13.861 -4.048) 14.440 15.187 ( 0.000 1.417 9.029) 9.140 15.412 ( -0.000 -2.998 -3.894) 4.914 15.552 ( 0.000 8.670 13.395) 15.956 16.189 ( 0.000 14.379 -3.956) 14.914 18.341 ( -0.000 -0.656 -1.917) 2.027 18.458 ( -0.000 2.537 -3.804) 4.573 18.891 ( -0.000 -7.860 0.130) 7.861 18.928 ( -0.000 -5.050 1.276) 5.209 19.106 ( 0.000 0.244 3.773) 3.781 19.585 ( -0.000 -9.519 2.175) 9.764 22.937 ( 0.000 -5.024 3.471) 6.106 23.375 ( -0.000 -8.188 -2.628) 8.600 ======================= Grid point 365 (108/116) ======================= q-point: ( 0.60 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 6.870 16.032 -0.432) 17.447 3.407 ( -0.619 11.602 -1.543) 11.721 3.719 ( 8.792 11.207 4.797) 15.030 4.165 ( 3.338 14.633 5.954) 16.147 4.550 ( 5.020 16.447 0.402) 17.200 4.844 ( 2.013 -3.781 -2.238) 4.833 4.991 ( -8.024 -2.561 -4.145) 9.388 5.736 ( -4.458 2.085 -2.292) 5.429 5.849 ( 5.748 6.031 2.771) 8.780 5.993 ( 4.575 8.011 -0.624) 9.247 6.922 ( -3.269 -7.773 18.991) 20.779 7.076 ( -2.931 -11.941 18.495) 22.209 7.263 ( 8.323 9.676 7.226) 14.666 7.588 ( 2.948 -9.101 -0.845) 9.604 7.724 ( -0.186 3.896 -13.213) 13.777 7.933 ( -6.770 -0.072 -14.089) 15.631 8.132 ( 3.499 9.263 -11.627) 15.272 9.531 ( 1.012 2.203 -0.973) 2.613 9.965 ( 3.411 6.388 0.537) 7.261 10.284 ( 1.390 8.661 -0.769) 8.805 10.372 ( -6.893 -14.975 -1.718) 16.575 10.890 ( 0.483 -5.858 3.281) 6.732 11.151 ( 2.505 -2.920 5.345) 6.585 11.266 ( 1.278 -3.599 2.081) 4.349 11.321 ( -1.445 1.167 -1.543) 2.415 11.559 ( -4.483 6.050 -5.442) 9.291 13.226 ( 1.582 1.702 9.864) 10.134 13.389 ( 2.238 6.201 -9.345) 11.436 14.457 ( -6.834 -11.612 5.718) 14.637 14.565 ( -2.879 -11.300 -3.589) 12.201 15.245 ( -1.431 0.966 7.275) 7.477 15.314 ( -1.701 -3.861 -5.507) 6.938 15.792 ( 6.335 9.847 7.145) 13.717 16.316 ( 3.496 9.848 -3.544) 11.035 18.265 ( -5.288 -3.408 -0.867) 6.350 18.489 ( 2.981 2.270 -2.177) 4.333 18.787 ( -1.129 -11.263 -3.132) 11.745 18.822 ( -6.719 -5.470 3.355) 9.291 19.150 ( 2.186 1.251 1.576) 2.972 19.519 ( -0.316 -5.447 2.441) 5.977 22.886 ( -1.875 -5.134 1.607) 5.697 23.257 ( -2.693 -7.937 -1.201) 8.467 ======================= Grid point 366 (109/116) ======================= q-point: ( 0.70 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( 8.836 15.305 -0.000) 17.672 3.550 ( 5.203 9.012 0.000) 10.406 3.930 ( 2.727 4.724 -0.000) 5.455 4.303 ( 1.133 1.962 -0.000) 2.265 4.627 ( -1.032 -1.788 -0.000) 2.064 4.742 ( -5.312 -9.201 0.000) 10.624 5.117 ( 11.870 20.560 -0.000) 23.741 5.671 ( -1.727 -2.991 -0.000) 3.453 5.993 ( 3.248 5.626 -0.000) 6.497 6.193 ( 6.536 11.321 -0.000) 13.073 6.801 ( -6.084 -10.538 0.000) 12.168 6.899 ( -7.290 -12.627 0.000) 14.580 7.509 ( -3.243 -5.617 0.000) 6.486 7.598 ( 5.302 9.183 0.000) 10.604 7.737 ( -0.090 -0.156 -0.000) 0.180 7.742 ( 1.022 1.771 -0.000) 2.045 8.340 ( 9.524 16.495 -0.000) 19.047 9.592 ( 2.582 4.472 -0.000) 5.164 9.975 ( -11.820 -20.472 -0.000) 23.639 10.101 ( 4.093 7.090 -0.000) 8.187 10.407 ( 0.685 1.187 -0.000) 1.370 10.857 ( -1.350 -2.338 -0.000) 2.699 11.222 ( 1.521 2.635 0.000) 3.042 11.257 ( -0.433 -0.750 0.000) 0.866 11.285 ( -0.539 -0.933 -0.000) 1.077 11.526 ( 0.846 1.466 -0.000) 1.692 13.258 ( -3.649 -6.319 0.000) 7.297 13.435 ( 2.706 4.688 -0.000) 5.413 14.275 ( -4.022 -6.966 -0.000) 8.044 14.399 ( -4.342 -7.521 -0.000) 8.685 15.198 ( -2.540 -4.399 -0.000) 5.080 15.280 ( -0.028 -0.049 -0.000) 0.056 16.036 ( 7.003 12.129 -0.000) 14.005 16.440 ( 2.997 5.192 -0.000) 5.995 18.104 ( -5.272 -9.132 -0.000) 10.545 18.534 ( -3.471 -6.013 -0.000) 6.943 18.567 ( -3.362 -5.823 -0.000) 6.724 18.703 ( -2.916 -5.050 -0.000) 5.831 19.219 ( 2.051 3.553 0.000) 4.103 19.507 ( 0.455 0.788 -0.000) 0.910 22.808 ( -2.239 -3.879 -0.000) 4.479 23.120 ( -4.004 -6.934 -0.000) 8.007 ======================= Grid point 376 (110/116) ======================= q-point: ( 0.60 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( 0.000 11.841 -2.893) 12.189 3.363 ( -0.000 11.381 -19.164) 22.288 3.928 ( 0.000 10.688 19.023) 21.820 4.337 ( 0.000 12.172 4.313) 12.914 4.632 ( -0.000 -3.786 1.719) 4.158 4.735 ( -0.000 14.506 -17.434) 22.680 4.997 ( -0.000 -3.063 -7.053) 7.690 5.799 ( -0.000 5.285 -4.443) 6.904 5.866 ( 0.000 4.765 2.046) 5.186 6.012 ( 0.000 7.927 0.041) 7.928 6.850 ( -0.000 -13.864 -5.331) 14.854 7.161 ( 0.000 -15.860 23.860) 28.650 7.378 ( -0.000 -2.964 -1.181) 3.191 7.421 ( 0.000 2.861 9.644) 10.059 7.736 ( 0.000 9.019 -4.234) 9.964 7.926 ( -0.000 2.609 -7.876) 8.297 8.190 ( 0.000 14.975 0.847) 14.999 9.531 ( -0.000 2.247 -1.451) 2.675 10.005 ( 0.000 6.307 1.367) 6.454 10.226 ( -0.000 -19.918 -0.598) 19.927 10.399 ( 0.000 11.541 -1.958) 11.706 10.841 ( 0.000 -8.347 5.177) 9.823 11.125 ( 0.000 -3.497 3.584) 5.007 11.227 ( -0.000 -3.999 1.575) 4.298 11.334 ( -0.000 1.566 -2.871) 3.270 11.615 ( -0.000 8.204 -10.194) 13.085 13.284 ( 0.000 -2.369 10.198) 10.469 13.365 ( -0.000 6.113 -9.821) 11.568 14.351 ( -0.000 -12.268 -8.457) 14.901 14.518 ( 0.000 -8.908 5.125) 10.277 15.225 ( -0.000 -4.085 -10.342) 11.120 15.306 ( 0.000 -0.959 5.001) 5.092 15.903 ( 0.000 12.451 6.622) 14.103 16.334 ( -0.000 5.399 -3.476) 6.422 18.339 ( 0.000 0.886 1.197) 1.489 18.377 ( -0.000 -5.434 -7.404) 9.184 18.651 ( -0.000 -11.610 -5.790) 12.974 18.849 ( -0.000 -5.196 2.465) 5.751 19.173 ( 0.000 1.786 5.651) 5.926 19.509 ( 0.000 -2.148 5.114) 5.547 22.853 ( -0.000 -5.254 -0.356) 5.266 23.196 ( -0.000 -8.209 0.218) 8.211 ======================= Grid point 457 (111/116) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 0.000 0.000 0.077) 0.077 2.810 ( 0.000 0.000 26.566) 26.566 2.810 ( 0.000 0.000 26.566) 26.566 3.800 ( -0.000 -0.000 -17.476) 17.476 3.800 ( -0.000 -0.000 -17.476) 17.476 5.074 ( 0.000 0.000 5.601) 5.601 5.074 ( 0.000 0.000 5.601) 5.601 5.653 ( 0.000 -0.000 0.504) 0.504 5.653 ( 0.000 0.000 0.504) 0.504 5.686 ( 0.000 0.000 33.269) 33.269 6.429 ( 0.000 0.000 26.244) 26.244 6.769 ( 0.000 0.000 7.628) 7.628 7.335 ( 0.000 0.000 19.383) 19.383 7.335 ( 0.000 0.000 19.383) 19.383 8.305 ( -0.000 -0.000 -25.223) 25.223 8.305 ( -0.000 -0.000 -25.223) 25.223 8.396 ( -0.000 -0.000 -45.863) 45.863 9.558 ( -0.000 -0.000 -0.663) 0.663 9.692 ( -0.000 -0.000 -0.888) 0.888 9.692 ( -0.000 -0.000 -0.888) 0.888 10.974 ( 0.000 0.000 0.860) 0.860 10.996 ( -0.000 -0.000 -4.418) 4.418 11.256 ( 0.000 0.000 8.549) 8.549 11.256 ( 0.000 0.000 8.549) 8.549 11.332 ( 0.000 0.000 7.307) 7.307 11.332 ( 0.000 0.000 7.307) 7.307 13.137 ( -0.000 -0.000 -3.410) 3.410 13.137 ( -0.000 -0.000 -3.410) 3.410 14.962 ( 0.000 0.000 5.242) 5.242 15.073 ( 0.000 0.000 13.048) 13.048 15.073 ( 0.000 0.000 13.048) 13.048 15.468 ( -0.000 0.000 -0.124) 0.124 15.468 ( 0.000 0.000 -0.124) 0.124 15.530 ( 0.000 0.000 7.644) 7.644 18.395 ( -0.000 -0.000 -4.342) 4.342 18.395 ( -0.000 -0.000 -4.342) 4.342 19.044 ( -0.000 -0.000 0.005) 0.005 19.044 ( 0.000 0.000 0.005) 0.005 19.055 ( 0.000 0.000 8.385) 8.385 19.804 ( 0.000 0.000 2.275) 2.275 23.018 ( 0.000 0.000 5.746) 5.746 23.601 ( -0.000 -0.000 -5.681) 5.681 ======================= Grid point 458 (112/116) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 7.931 4.579 0.494) 9.171 2.870 ( -1.428 -0.825 25.323) 25.377 3.355 ( 22.595 13.045 18.805) 32.161 3.687 ( 5.929 3.423 -17.038) 18.362 3.879 ( 11.551 6.669 -14.932) 20.022 5.049 ( -3.039 -1.755 6.000) 6.951 5.099 ( -3.483 -2.011 2.433) 4.701 5.626 ( -0.620 -0.358 3.841) 3.907 5.710 ( 2.970 1.715 0.848) 3.533 5.849 ( 0.684 0.395 8.191) 8.229 6.693 ( 2.528 1.460 41.039) 41.143 6.900 ( 6.641 3.834 5.006) 9.157 7.313 ( -6.136 -3.542 21.775) 22.899 7.605 ( 4.630 2.673 17.977) 18.755 8.015 ( -6.850 -3.955 -27.324) 28.446 8.054 ( -1.307 -0.755 -41.600) 41.627 8.196 ( 1.539 0.888 -24.671) 24.735 9.525 ( -1.608 -0.929 -0.493) 1.922 9.757 ( 4.976 2.873 -0.685) 5.787 9.809 ( 10.082 5.821 -0.467) 11.651 10.872 ( -8.670 -5.005 -1.633) 10.143 10.977 ( -0.212 -0.123 0.555) 0.607 11.260 ( -1.401 -0.809 8.218) 8.375 11.305 ( -1.102 -0.636 1.965) 2.341 11.371 ( 0.704 0.407 5.353) 5.414 11.390 ( -1.195 -0.690 3.112) 3.404 13.082 ( 0.341 0.197 2.649) 2.678 13.226 ( 6.121 3.534 -6.796) 9.805 14.818 ( -13.188 -7.614 9.791) 18.104 15.019 ( -9.792 -5.654 0.114) 11.308 15.145 ( -0.544 -0.314 11.371) 11.388 15.439 ( -1.585 -0.915 -1.461) 2.342 15.498 ( 6.909 3.989 6.858) 10.520 15.838 ( 14.329 8.273 -0.652) 16.559 18.370 ( -0.196 -0.113 -3.302) 3.309 18.381 ( 0.906 0.523 -1.958) 2.220 18.986 ( -4.827 -2.787 1.460) 5.762 19.028 ( -1.763 -1.018 -0.732) 2.164 19.106 ( 0.533 0.308 4.843) 4.882 19.761 ( -4.588 -2.649 1.027) 5.396 23.021 ( -2.837 -1.638 4.355) 5.449 23.513 ( -4.378 -2.527 -4.063) 6.485 ======================= Grid point 459 (113/116) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 12.893 7.444 1.235) 14.939 3.066 ( 3.870 2.235 22.634) 23.071 3.770 ( 14.343 8.281 -20.615) 26.444 4.064 ( 24.295 14.027 18.046) 33.356 4.096 ( 14.289 8.250 -10.657) 19.642 4.938 ( -11.218 -6.477 1.301) 13.019 5.020 ( -3.334 -1.925 6.830) 7.840 5.679 ( 2.363 1.364 5.679) 6.300 5.803 ( 5.034 2.907 -4.256) 7.205 5.889 ( 2.092 1.208 1.879) 3.060 6.965 ( -5.062 -2.923 24.084) 24.783 7.133 ( 12.106 6.989 13.264) 19.271 7.364 ( -0.820 -0.474 12.109) 12.146 7.617 ( -11.544 -6.665 -22.669) 26.298 7.801 ( 0.848 0.490 -28.000) 28.017 7.803 ( 3.221 1.859 9.760) 10.444 8.076 ( 1.859 1.073 -15.801) 15.946 9.503 ( -0.056 -0.033 0.263) 0.271 9.880 ( 5.975 3.450 -0.932) 6.962 10.098 ( 14.094 8.137 0.362) 16.279 10.598 ( -14.687 -8.480 0.560) 16.969 10.959 ( -1.913 -1.104 -0.557) 2.278 11.247 ( -3.992 -2.305 -3.035) 5.519 11.291 ( 0.058 0.033 5.055) 5.055 11.319 ( -3.922 -2.265 -1.676) 4.829 11.448 ( 2.778 1.604 7.031) 7.728 13.183 ( 4.532 2.616 8.373) 9.873 13.304 ( 5.112 2.951 -9.648) 11.311 14.570 ( -14.094 -8.137 11.314) 19.821 14.764 ( -10.315 -5.956 -4.590) 12.765 15.200 ( -1.023 -0.591 9.834) 9.904 15.378 ( -2.358 -1.362 -2.810) 3.913 15.710 ( 8.783 5.071 -0.207) 10.144 16.132 ( 11.320 6.535 0.152) 13.072 18.345 ( -0.172 -0.100 -2.204) 2.213 18.394 ( -0.308 -0.178 2.301) 2.328 18.846 ( -9.078 -5.241 4.185) 11.287 18.958 ( -3.626 -2.094 -1.586) 4.478 19.149 ( 1.972 1.139 -0.640) 2.366 19.630 ( -5.918 -3.417 -1.690) 7.040 22.954 ( -4.707 -2.717 2.166) 5.851 23.363 ( -6.666 -3.849 -1.887) 7.925 ======================= Grid point 469 (114/116) ======================= q-point: ( 0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 0.000 9.842 -0.126) 9.843 3.166 ( 0.000 10.346 23.868) 26.014 3.262 ( -0.000 4.083 -3.713) 5.519 3.613 ( 0.000 12.056 1.836) 12.195 3.818 ( -0.000 19.318 -16.510) 25.412 5.071 ( 0.000 -4.782 4.718) 6.718 5.128 ( -0.000 -0.659 -1.523) 1.659 5.659 ( 0.000 1.509 3.784) 4.074 5.700 ( -0.000 2.406 -2.770) 3.669 5.886 ( 0.000 -1.242 3.535) 3.746 6.905 ( 0.000 6.418 8.202) 10.415 7.007 ( 0.000 1.696 38.571) 38.608 7.458 ( 0.000 -9.291 25.078) 26.744 7.670 ( -0.000 -0.666 -4.668) 4.715 7.746 ( -0.000 -2.002 -29.606) 29.673 7.926 ( -0.000 2.114 -17.252) 17.381 8.020 ( -0.000 0.844 -21.145) 21.161 9.525 ( -0.000 -1.585 -0.429) 1.642 9.749 ( 0.000 5.363 0.092) 5.364 9.810 ( 0.000 11.932 -0.586) 11.947 10.869 ( -0.000 -8.734 -1.537) 8.869 10.978 ( 0.000 -0.569 0.474) 0.741 11.273 ( 0.000 -4.423 6.131) 7.559 11.328 ( 0.000 -0.220 0.228) 0.317 11.362 ( 0.000 -3.458 4.117) 5.377 11.459 ( 0.000 3.181 -0.736) 3.265 13.107 ( 0.000 2.400 3.942) 4.615 13.176 ( -0.000 5.369 -6.009) 8.059 14.886 ( -0.000 -10.675 4.847) 11.723 15.014 ( -0.000 -14.723 -1.178) 14.770 15.220 ( 0.000 0.634 5.821) 5.855 15.436 ( -0.000 -1.740 -2.654) 3.173 15.489 ( 0.000 5.456 7.549) 9.315 15.851 ( 0.000 16.974 -1.555) 17.045 18.345 ( -0.000 -0.636 -1.030) 1.211 18.382 ( -0.000 2.492 -2.066) 3.237 19.007 ( -0.000 -3.988 -0.433) 4.011 19.013 ( -0.000 -2.824 0.673) 2.903 19.129 ( 0.000 -0.240 2.561) 2.572 19.762 ( -0.000 -6.437 1.055) 6.523 23.045 ( 0.000 -3.403 2.501) 4.224 23.490 ( -0.000 -4.862 -2.332) 5.393 ======================= Grid point 470 (115/116) ======================= q-point: ( 0.60 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 7.478 12.952 -0.000) 14.956 3.232 ( 2.802 4.853 0.000) 5.604 3.491 ( 7.181 12.438 -0.000) 14.362 3.909 ( 8.363 14.485 0.000) 16.725 4.057 ( 13.810 23.919 -0.000) 27.619 5.013 ( -3.942 -6.827 -0.000) 7.884 5.056 ( -2.693 -4.665 -0.000) 5.387 5.696 ( 0.578 1.001 -0.000) 1.156 5.747 ( 3.125 5.413 -0.000) 6.250 5.894 ( 0.862 1.493 -0.000) 1.724 7.049 ( 3.809 6.598 -0.000) 7.619 7.177 ( -0.957 -1.658 0.000) 1.915 7.406 ( -5.791 -10.030 -0.000) 11.582 7.554 ( -0.503 -0.872 -0.000) 1.007 7.699 ( 2.298 3.980 -0.000) 4.596 7.848 ( -1.481 -2.565 -0.000) 2.962 7.991 ( 1.812 3.138 -0.000) 3.623 9.508 ( -0.081 -0.141 -0.000) 0.163 9.842 ( 3.441 5.960 -0.000) 6.882 10.011 ( 7.865 13.623 -0.000) 15.730 10.685 ( -7.706 -13.347 -0.000) 15.412 10.966 ( -0.849 -1.470 -0.000) 1.697 11.253 ( -1.958 -3.392 0.000) 3.916 11.312 ( -0.408 -0.707 -0.000) 0.817 11.341 ( -1.588 -2.751 -0.000) 3.176 11.463 ( 0.897 1.554 -0.000) 1.795 13.208 ( 2.683 4.646 0.000) 5.365 13.215 ( 3.052 5.286 -0.000) 6.104 14.724 ( -6.911 -11.970 -0.000) 13.822 14.788 ( -7.205 -12.480 -0.000) 14.410 15.250 ( 0.466 0.807 -0.000) 0.932 15.373 ( -2.048 -3.548 0.000) 4.097 15.648 ( 4.576 7.926 -0.000) 9.153 16.069 ( 7.448 12.900 -0.000) 14.896 18.318 ( -1.245 -2.157 -0.000) 2.491 18.421 ( 1.897 3.285 -0.000) 3.793 18.930 ( -3.046 -5.276 0.000) 6.092 18.953 ( -3.044 -5.273 -0.000) 6.089 19.139 ( 0.243 0.420 -0.000) 0.486 19.659 ( -4.029 -6.978 -0.000) 8.058 22.990 ( -2.572 -4.456 -0.000) 5.145 23.395 ( -3.550 -6.148 -0.000) 7.099 ======================= Grid point 580 (116/116) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 0.000 0.000 0.000) 0.000 3.209 ( -0.000 -0.000 -0.000) 0.000 3.209 ( -0.000 -0.000 -0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 6.846 ( 0.000 0.000 0.000) 0.000 7.221 ( -0.000 -0.000 -0.000) 0.000 7.511 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 7.856 ( -0.000 -0.000 -0.000) 0.000 7.856 ( -0.000 0.000 -0.000) 0.000 9.551 ( 0.000 0.000 0.000) 0.000 9.684 ( 0.000 0.000 0.000) 0.000 9.684 ( 0.000 0.000 0.000) 0.000 10.951 ( 0.000 0.000 0.000) 0.000 10.983 ( 0.000 0.000 0.000) 0.000 11.331 ( 0.000 0.000 0.000) 0.000 11.331 ( 0.000 0.000 0.000) 0.000 11.428 ( 0.000 0.000 0.000) 0.000 11.428 ( 0.000 0.000 0.000) 0.000 13.096 ( 0.000 -0.000 0.000) 0.000 13.096 ( 0.000 0.000 0.000) 0.000 15.017 ( 0.000 0.000 0.000) 0.000 15.235 ( 0.000 0.000 0.000) 0.000 15.235 ( 0.000 0.000 0.000) 0.000 15.444 ( -0.000 -0.000 -0.000) 0.000 15.444 ( -0.000 -0.000 -0.000) 0.000 15.609 ( 0.000 0.000 0.000) 0.000 18.348 ( 0.000 0.000 0.000) 0.000 18.348 ( 0.000 0.000 0.000) 0.000 19.044 ( 0.000 0.000 0.000) 0.000 19.044 ( 0.000 0.000 0.000) 0.000 19.142 ( 0.000 0.000 0.000) 0.000 19.831 ( 0.000 0.000 0.000) 0.000 23.090 ( 0.000 0.000 0.000) 0.000 23.530 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/42000 10.0 4949.055 4949.055 4140.147 0.000 -0.000 0.000 3/42000 20.0 2481.693 2481.693 2818.159 0.000 -0.000 0.000 3/42000 30.0 968.591 968.591 1107.542 0.000 -0.000 0.000 3/42000 40.0 492.587 492.587 563.355 0.000 -0.000 0.000 3/42000 50.0 299.961 299.961 343.589 0.000 -0.000 0.000 3/42000 60.0 204.807 204.807 234.714 0.000 -0.000 0.000 3/42000 70.0 150.253 150.253 172.271 0.000 -0.000 0.000 3/42000 80.0 115.759 115.759 132.827 0.000 -0.000 0.000 3/42000 90.0 92.476 92.476 106.234 0.000 -0.000 0.000 3/42000 100.0 76.006 76.006 87.438 0.000 -0.000 0.000 3/42000 110.0 63.925 63.925 73.657 0.000 -0.000 0.000 3/42000 120.0 54.799 54.799 63.245 0.000 -0.000 0.000 3/42000 130.0 47.734 47.734 55.180 0.000 -0.000 0.000 3/42000 140.0 42.147 42.147 48.798 0.000 -0.000 0.000 3/42000 150.0 37.648 37.648 43.652 0.000 -0.000 0.000 3/42000 160.0 33.965 33.965 39.436 0.000 -0.000 0.000 3/42000 170.0 30.907 30.907 35.931 0.000 -0.000 0.000 3/42000 180.0 28.337 28.337 32.981 0.000 -0.000 0.000 3/42000 190.0 26.151 26.151 30.468 0.000 -0.000 0.000 3/42000 200.0 24.273 24.273 28.308 0.000 -0.000 0.000 3/42000 210.0 22.644 22.644 26.432 0.000 -0.000 0.000 3/42000 220.0 21.221 21.221 24.789 0.000 -0.000 0.000 3/42000 230.0 19.967 19.967 23.341 0.000 -0.000 0.000 3/42000 240.0 18.854 18.854 22.055 0.000 -0.000 0.000 3/42000 250.0 17.861 17.861 20.906 0.000 -0.000 0.000 3/42000 260.0 16.969 16.969 19.873 0.000 -0.000 0.000 3/42000 270.0 16.165 16.165 18.940 0.000 -0.000 0.000 3/42000 280.0 15.435 15.435 18.094 0.000 -0.000 0.000 3/42000 290.0 14.770 14.770 17.322 0.000 -0.000 0.000 3/42000 300.0 14.162 14.162 16.615 0.000 -0.000 0.000 3/42000 310.0 13.604 13.604 15.966 0.000 -0.000 0.000 3/42000 320.0 13.089 13.089 15.367 0.000 -0.000 0.000 3/42000 330.0 12.614 12.614 14.813 0.000 -0.000 0.000 3/42000 340.0 12.173 12.173 14.299 0.000 -0.000 0.000 3/42000 350.0 11.763 11.763 13.821 0.000 -0.000 0.000 3/42000 360.0 11.380 11.380 13.375 0.000 -0.000 0.000 3/42000 370.0 11.023 11.023 12.958 0.000 -0.000 0.000 3/42000 380.0 10.688 10.688 12.568 0.000 -0.000 0.000 3/42000 390.0 10.374 10.374 12.200 0.000 -0.000 0.000 3/42000 400.0 10.078 10.078 11.855 0.000 -0.000 0.000 3/42000 410.0 9.799 9.799 11.529 0.000 -0.000 0.000 3/42000 420.0 9.536 9.536 11.222 0.000 -0.000 0.000 3/42000 430.0 9.288 9.288 10.930 0.000 -0.000 0.000 3/42000 440.0 9.052 9.052 10.654 0.000 -0.000 0.000 3/42000 450.0 8.828 8.828 10.393 0.000 -0.000 0.000 3/42000 460.0 8.616 8.616 10.144 0.000 -0.000 0.000 3/42000 470.0 8.414 8.414 9.907 0.000 -0.000 0.000 3/42000 480.0 8.221 8.221 9.681 0.000 -0.000 0.000 3/42000 490.0 8.037 8.037 9.466 0.000 -0.000 0.000 3/42000 500.0 7.862 7.862 9.260 0.000 -0.000 0.000 3/42000 510.0 7.694 7.694 9.064 0.000 -0.000 0.000 3/42000 520.0 7.534 7.534 8.876 0.000 -0.000 0.000 3/42000 530.0 7.380 7.380 8.695 0.000 -0.000 0.000 3/42000 540.0 7.233 7.233 8.522 0.000 -0.000 0.000 3/42000 550.0 7.091 7.091 8.356 0.000 -0.000 0.000 3/42000 560.0 6.955 6.955 8.197 0.000 -0.000 0.000 3/42000 570.0 6.825 6.825 8.044 0.000 -0.000 0.000 3/42000 580.0 6.699 6.699 7.896 0.000 -0.000 0.000 3/42000 590.0 6.578 6.578 7.754 0.000 -0.000 0.000 3/42000 600.0 6.462 6.462 7.617 0.000 -0.000 0.000 3/42000 610.0 6.349 6.349 7.485 0.000 -0.000 0.000 3/42000 620.0 6.241 6.241 7.357 0.000 -0.000 0.000 3/42000 630.0 6.136 6.136 7.234 0.000 -0.000 0.000 3/42000 640.0 6.035 6.035 7.115 0.000 -0.000 0.000 3/42000 650.0 5.937 5.937 7.000 0.000 -0.000 0.000 3/42000 660.0 5.842 5.842 6.889 0.000 -0.000 0.000 3/42000 670.0 5.751 5.751 6.781 0.000 -0.000 0.000 3/42000 680.0 5.662 5.662 6.677 0.000 -0.000 0.000 3/42000 690.0 5.576 5.576 6.576 0.000 -0.000 0.000 3/42000 700.0 5.493 5.493 6.478 0.000 -0.000 0.000 3/42000 710.0 5.412 5.412 6.383 0.000 -0.000 0.000 3/42000 720.0 5.333 5.333 6.290 0.000 -0.000 0.000 3/42000 730.0 5.257 5.257 6.201 0.000 -0.000 0.000 3/42000 740.0 5.183 5.183 6.114 0.000 -0.000 0.000 3/42000 750.0 5.111 5.111 6.029 0.000 -0.000 0.000 3/42000 760.0 5.041 5.041 5.947 0.000 -0.000 0.000 3/42000 770.0 4.973 4.973 5.867 0.000 -0.000 0.000 3/42000 780.0 4.907 4.907 5.789 0.000 -0.000 0.000 3/42000 790.0 4.843 4.843 5.713 0.000 -0.000 0.000 3/42000 800.0 4.780 4.780 5.639 0.000 -0.000 0.000 3/42000 810.0 4.719 4.719 5.568 0.000 -0.000 0.000 3/42000 820.0 4.660 4.660 5.498 0.000 -0.000 0.000 3/42000 830.0 4.602 4.602 5.429 0.000 -0.000 0.000 3/42000 840.0 4.545 4.545 5.363 0.000 -0.000 0.000 3/42000 850.0 4.490 4.490 5.298 0.000 -0.000 0.000 3/42000 860.0 4.436 4.436 5.234 0.000 -0.000 0.000 3/42000 870.0 4.384 4.384 5.173 0.000 -0.000 0.000 3/42000 880.0 4.332 4.332 5.112 0.000 -0.000 0.000 3/42000 890.0 4.282 4.282 5.053 0.000 -0.000 0.000 3/42000 900.0 4.234 4.234 4.996 0.000 -0.000 0.000 3/42000 910.0 4.186 4.186 4.939 0.000 -0.000 0.000 3/42000 920.0 4.139 4.139 4.884 0.000 -0.000 0.000 3/42000 930.0 4.093 4.093 4.831 0.000 -0.000 0.000 3/42000 940.0 4.049 4.049 4.778 0.000 -0.000 0.000 3/42000 950.0 4.005 4.005 4.726 0.000 -0.000 0.000 3/42000 960.0 3.962 3.962 4.676 0.000 -0.000 0.000 3/42000 970.0 3.921 3.921 4.627 0.000 -0.000 0.000 3/42000 980.0 3.880 3.880 4.579 0.000 -0.000 0.000 3/42000 990.0 3.840 3.840 4.531 0.000 -0.000 0.000 3/42000 1000.0 3.800 3.800 4.485 0.000 -0.000 0.000 3/42000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:32:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|