----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:17:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.441735540539951 -5.977328945000000 0.000000000000000 b 3.441735540539951 5.977328945000000 0.000000000000000 c -2.323436066459094 0.000000000000000 6.826231775009357 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 *2 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *3 Na 0.84283908087427 0.15716091912573 0.50000000000000 22.990 4 Na 0.15716091912573 0.84283908087427 0.50000000000000 22.990 *5 Se 0.07618041544719 0.43590488107598 0.22580106272059 78.960 *6 Se 0.28430891373936 0.28430891373936 0.77696971978866 78.960 7 Se 0.92381958455281 0.56409511892402 0.77419893727941 78.960 8 Se 0.56409511892402 0.92381958455281 0.77419893727941 78.960 9 Se 0.43590488107598 0.07618041544719 0.22580106272059 78.960 10 Se 0.71569108626064 0.71569108626064 0.22303028021134 78.960 *11 Zr 0.33113881221118 0.66886118778882 0.00000000000000 91.224 12 Zr 0.66886118778882 0.33113881221118 0.00000000000000 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.883471081079902 0.000000000000000 0.000000000000000 b 0.000000000000000 11.954657890000000 0.000000000000000 c -2.323436066459094 0.000000000000000 6.826231775009357 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 *2 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 2 *3 Na 0.00000000000000 0.15716091912573 0.50000000000000 22.990 > 3 4 Na 0.50000000000000 0.34283908087427 0.50000000000000 22.990 > 4 5 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 6 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 2 7 Na 0.50000000000000 0.65716091912573 0.50000000000000 22.990 > 3 8 Na 0.00000000000000 0.84283908087427 0.50000000000000 22.990 > 4 *9 Se 0.25604264826159 0.17986223281440 0.22580106272059 78.960 > 5 *10 Se 0.28430891373936 0.00000000000000 0.77696971978866 78.960 > 6 11 Se 0.24395735173841 0.32013776718560 0.77419893727941 78.960 > 7 12 Se 0.74395735173841 0.17986223281440 0.77419893727941 78.960 > 8 13 Se 0.75604264826159 0.32013776718560 0.22580106272059 78.960 > 9 14 Se 0.71569108626064 0.00000000000000 0.22303028021134 78.960 > 10 15 Se 0.75604264826159 0.67986223281440 0.22580106272059 78.960 > 5 16 Se 0.78430891373936 0.50000000000000 0.77696971978866 78.960 > 6 17 Se 0.74395735173841 0.82013776718560 0.77419893727941 78.960 > 7 18 Se 0.24395735173841 0.67986223281440 0.77419893727941 78.960 > 8 19 Se 0.25604264826159 0.82013776718560 0.22580106272059 78.960 > 9 20 Se 0.21569108626064 0.50000000000000 0.22303028021134 78.960 > 10 *21 Zr 0.50000000000000 0.16886118778883 0.00000000000000 91.224 > 11 22 Zr 0.00000000000000 0.33113881221118 0.00000000000000 91.224 > 12 23 Zr 0.00000000000000 0.66886118778883 0.00000000000000 91.224 > 11 24 Zr 0.50000000000000 0.83113881221117 0.00000000000000 91.224 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.766942162159804 0.000000000000000 0.000000000000000 b 0.000000000000000 11.954657890000000 0.000000000000000 c -4.646872132918188 0.000000000000000 13.652463550018714 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 4 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 *5 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 2 6 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 2 7 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 2 8 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 2 *9 Na 0.00000000000000 0.15716091912573 0.25000000000000 22.990 > 3 10 Na 0.50000000000000 0.15716091912573 0.25000000000000 22.990 > 3 11 Na 0.00000000000000 0.15716091912573 0.75000000000000 22.990 > 3 12 Na 0.50000000000000 0.15716091912573 0.75000000000000 22.990 > 3 13 Na 0.25000000000000 0.34283908087427 0.25000000000000 22.990 > 4 14 Na 0.75000000000000 0.34283908087427 0.25000000000000 22.990 > 4 15 Na 0.25000000000000 0.34283908087427 0.75000000000000 22.990 > 4 16 Na 0.75000000000000 0.34283908087427 0.75000000000000 22.990 > 4 17 Na 0.25000000000000 0.50000000000000 0.00000000000000 22.990 > 1 18 Na 0.75000000000000 0.50000000000000 0.00000000000000 22.990 > 1 19 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 1 20 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 1 21 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 2 22 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 2 23 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 2 24 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 2 25 Na 0.25000000000000 0.65716091912573 0.25000000000000 22.990 > 3 26 Na 0.75000000000000 0.65716091912573 0.25000000000000 22.990 > 3 27 Na 0.25000000000000 0.65716091912573 0.75000000000000 22.990 > 3 28 Na 0.75000000000000 0.65716091912573 0.75000000000000 22.990 > 3 29 Na 0.00000000000000 0.84283908087427 0.25000000000000 22.990 > 4 30 Na 0.50000000000000 0.84283908087427 0.25000000000000 22.990 > 4 31 Na 0.00000000000000 0.84283908087427 0.75000000000000 22.990 > 4 32 Na 0.50000000000000 0.84283908087427 0.75000000000000 22.990 > 4 *33 Se 0.12802132413079 0.17986223281440 0.11290053136029 78.960 > 5 34 Se 0.62802132413079 0.17986223281440 0.11290053136029 78.960 > 5 35 Se 0.12802132413079 0.17986223281440 0.61290053136029 78.960 > 5 36 Se 0.62802132413079 0.17986223281440 0.61290053136029 78.960 > 5 *37 Se 0.14215445686968 0.00000000000000 0.38848485989433 78.960 > 6 38 Se 0.64215445686968 0.00000000000000 0.38848485989433 78.960 > 6 39 Se 0.14215445686968 0.00000000000000 0.88848485989433 78.960 > 6 40 Se 0.64215445686968 0.00000000000000 0.88848485989433 78.960 > 6 41 Se 0.12197867586921 0.32013776718560 0.38709946863971 78.960 > 7 42 Se 0.62197867586921 0.32013776718560 0.38709946863971 78.960 > 7 43 Se 0.12197867586921 0.32013776718560 0.88709946863971 78.960 > 7 44 Se 0.62197867586921 0.32013776718560 0.88709946863971 78.960 > 7 45 Se 0.37197867586921 0.17986223281440 0.38709946863971 78.960 > 8 46 Se 0.87197867586921 0.17986223281440 0.38709946863971 78.960 > 8 47 Se 0.37197867586921 0.17986223281440 0.88709946863971 78.960 > 8 48 Se 0.87197867586921 0.17986223281440 0.88709946863971 78.960 > 8 49 Se 0.37802132413079 0.32013776718560 0.11290053136029 78.960 > 9 50 Se 0.87802132413079 0.32013776718560 0.11290053136029 78.960 > 9 51 Se 0.37802132413079 0.32013776718560 0.61290053136029 78.960 > 9 52 Se 0.87802132413079 0.32013776718560 0.61290053136029 78.960 > 9 53 Se 0.35784554313032 0.00000000000000 0.11151514010567 78.960 > 10 54 Se 0.85784554313032 0.00000000000000 0.11151514010567 78.960 > 10 55 Se 0.35784554313032 0.00000000000000 0.61151514010567 78.960 > 10 56 Se 0.85784554313032 0.00000000000000 0.61151514010567 78.960 > 10 57 Se 0.37802132413079 0.67986223281440 0.11290053136029 78.960 > 5 58 Se 0.87802132413079 0.67986223281440 0.11290053136029 78.960 > 5 59 Se 0.37802132413079 0.67986223281440 0.61290053136029 78.960 > 5 60 Se 0.87802132413079 0.67986223281440 0.61290053136029 78.960 > 5 61 Se 0.39215445686968 0.50000000000000 0.38848485989433 78.960 > 6 62 Se 0.89215445686968 0.50000000000000 0.38848485989433 78.960 > 6 63 Se 0.39215445686968 0.50000000000000 0.88848485989433 78.960 > 6 64 Se 0.89215445686968 0.50000000000000 0.88848485989433 78.960 > 6 65 Se 0.37197867586921 0.82013776718560 0.38709946863971 78.960 > 7 66 Se 0.87197867586921 0.82013776718560 0.38709946863971 78.960 > 7 67 Se 0.37197867586921 0.82013776718560 0.88709946863971 78.960 > 7 68 Se 0.87197867586921 0.82013776718560 0.88709946863971 78.960 > 7 69 Se 0.12197867586921 0.67986223281440 0.38709946863971 78.960 > 8 70 Se 0.62197867586921 0.67986223281440 0.38709946863971 78.960 > 8 71 Se 0.12197867586921 0.67986223281440 0.88709946863971 78.960 > 8 72 Se 0.62197867586921 0.67986223281440 0.88709946863971 78.960 > 8 73 Se 0.12802132413079 0.82013776718560 0.11290053136029 78.960 > 9 74 Se 0.62802132413079 0.82013776718560 0.11290053136029 78.960 > 9 75 Se 0.12802132413079 0.82013776718560 0.61290053136029 78.960 > 9 76 Se 0.62802132413079 0.82013776718560 0.61290053136029 78.960 > 9 77 Se 0.10784554313032 0.50000000000000 0.11151514010567 78.960 > 10 78 Se 0.60784554313032 0.50000000000000 0.11151514010567 78.960 > 10 79 Se 0.10784554313032 0.50000000000000 0.61151514010567 78.960 > 10 80 Se 0.60784554313032 0.50000000000000 0.61151514010567 78.960 > 10 *81 Zr 0.25000000000000 0.16886118778883 0.00000000000000 91.224 > 11 82 Zr 0.75000000000000 0.16886118778883 0.00000000000000 91.224 > 11 83 Zr 0.25000000000000 0.16886118778883 0.50000000000000 91.224 > 11 84 Zr 0.75000000000000 0.16886118778883 0.50000000000000 91.224 > 11 85 Zr 0.00000000000000 0.33113881221118 0.00000000000000 91.224 > 12 86 Zr 0.50000000000000 0.33113881221118 0.00000000000000 91.224 > 12 87 Zr 0.00000000000000 0.33113881221118 0.50000000000000 91.224 > 12 88 Zr 0.50000000000000 0.33113881221118 0.50000000000000 91.224 > 12 89 Zr 0.00000000000000 0.66886118778883 0.00000000000000 91.224 > 11 90 Zr 0.50000000000000 0.66886118778883 0.00000000000000 91.224 > 11 91 Zr 0.00000000000000 0.66886118778883 0.50000000000000 91.224 > 11 92 Zr 0.50000000000000 0.66886118778883 0.50000000000000 91.224 > 11 93 Zr 0.25000000000000 0.83113881221117 0.00000000000000 91.224 > 12 94 Zr 0.75000000000000 0.83113881221117 0.00000000000000 91.224 > 12 95 Zr 0.25000000000000 0.83113881221117 0.50000000000000 91.224 > 12 96 Zr 0.75000000000000 0.83113881221117 0.50000000000000 91.224 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.0360848 0.0000000 0.0353715 0.0000000 8.5834371 0.0000000 0.0353687 0.0000000 6.0810099 -------------------------- Born effective charges -------------------------- 1 Na 1.2726476 0.0000000 0.0018329 0.0000000 1.2775772 0.0000000 -0.0085173 0.0000000 0.3192853 2 Na 0.7700590 0.0000000 0.0507430 0.0000000 1.3509024 0.0000000 -0.0164897 0.0000000 1.8357343 3 Na 1.2125361 0.0000000 -0.0000043 0.0000000 0.9179245 0.0000000 0.0189760 0.0000000 1.8465569 4 Na 1.2125361 0.0000000 -0.0000043 0.0000000 0.9179245 0.0000000 0.0189760 0.0000000 1.8465569 5 Se -3.6213706 0.9779072 0.2288367 0.9380722 -2.3735910 0.4871233 0.2200305 0.4097810 -1.8658991 6 Se -1.9025929 0.0000000 -0.5850045 0.0000000 -4.0195633 0.0000000 -0.4990203 0.0000000 -1.9525259 7 Se -3.6213706 0.9779072 0.2288367 0.9380722 -2.3735910 0.4871233 0.2200305 0.4097810 -1.8658991 8 Se -3.6213706 -0.9779072 0.2288367 -0.9380722 -2.3735910 -0.4871233 0.2200305 -0.4097810 -1.8658991 9 Se -3.6213706 -0.9779072 0.2288367 -0.9380722 -2.3735910 -0.4871233 0.2200305 -0.4097810 -1.8658991 10 Se -1.9025929 0.0000000 -0.5850045 0.0000000 -4.0195633 0.0000000 -0.4990203 0.0000000 -1.9525259 11 Zr 6.9114446 0.0000000 0.1010475 0.0000000 6.5345811 0.0000000 0.0524868 0.0000000 2.7602574 12 Zr 6.9114446 0.0000000 0.1010475 0.0000000 6.5345811 0.0000000 0.0524868 0.0000000 2.7602574 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1438 Number of blocks in projector: 1438 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1438, 1405), data: False |-- (206, 200), data: True |-- (206, 200), data: True |-- (206, 200), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (340, 329), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 0.453 Solver_block: 200 / 400 - Time: 0.451 Solver_block: 300 / 400 - Time: 0.445 Solver_block: 400 / 400 - Time: 0.446 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.828 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1438 Number of blocks in projector: 1438 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1438, 1405), data: False |-- (206, 200), data: True |-- (206, 200), data: True |-- (206, 200), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (340, 329), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:18:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:18:07]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.441735540539951 -5.977328945000000 0.000000000000000 b 3.441735540539951 5.977328945000000 0.000000000000000 c -2.323436066459094 0.000000000000000 6.826231775009357 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 3 Na 0.84283908087427 0.15716091912573 0.50000000000000 22.990 4 Na 0.15716091912573 0.84283908087427 0.50000000000000 22.990 5 Se 0.07618041544719 0.43590488107598 0.22580106272059 78.960 6 Se 0.28430891373936 0.28430891373936 0.77696971978866 78.960 7 Se 0.92381958455281 0.56409511892402 0.77419893727941 78.960 8 Se 0.56409511892402 0.92381958455281 0.77419893727941 78.960 9 Se 0.43590488107598 0.07618041544719 0.22580106272059 78.960 10 Se 0.71569108626064 0.71569108626064 0.22303028021134 78.960 11 Zr 0.33113881221118 0.66886118778882 0.00000000000000 91.224 12 Zr 0.66886118778882 0.33113881221118 0.00000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.766942162159804 0.000000000000000 0.000000000000000 b 0.000000000000000 11.954657890000000 0.000000000000000 c -4.646872132918188 0.000000000000000 13.652463550018714 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 4 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 5 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 5 6 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 5 7 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 5 8 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 5 9 Na 0.00000000000000 0.15716091912573 0.25000000000000 22.990 > 9 10 Na 0.50000000000000 0.15716091912573 0.25000000000000 22.990 > 9 11 Na 0.00000000000000 0.15716091912573 0.75000000000000 22.990 > 9 12 Na 0.50000000000000 0.15716091912573 0.75000000000000 22.990 > 9 13 Na 0.25000000000000 0.34283908087427 0.25000000000000 22.990 > 13 14 Na 0.75000000000000 0.34283908087427 0.25000000000000 22.990 > 13 15 Na 0.25000000000000 0.34283908087427 0.75000000000000 22.990 > 13 16 Na 0.75000000000000 0.34283908087427 0.75000000000000 22.990 > 13 17 Na 0.25000000000000 0.50000000000000 0.00000000000000 22.990 > 1 18 Na 0.75000000000000 0.50000000000000 0.00000000000000 22.990 > 1 19 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 1 20 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 1 21 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 5 22 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 5 23 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 5 24 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 5 25 Na 0.25000000000000 0.65716091912573 0.25000000000000 22.990 > 9 26 Na 0.75000000000000 0.65716091912573 0.25000000000000 22.990 > 9 27 Na 0.25000000000000 0.65716091912573 0.75000000000000 22.990 > 9 28 Na 0.75000000000000 0.65716091912573 0.75000000000000 22.990 > 9 29 Na 0.00000000000000 0.84283908087427 0.25000000000000 22.990 > 13 30 Na 0.50000000000000 0.84283908087427 0.25000000000000 22.990 > 13 31 Na 0.00000000000000 0.84283908087427 0.75000000000000 22.990 > 13 32 Na 0.50000000000000 0.84283908087427 0.75000000000000 22.990 > 13 33 Se 0.12802132413079 0.17986223281440 0.11290053136029 78.960 > 33 34 Se 0.62802132413079 0.17986223281440 0.11290053136029 78.960 > 33 35 Se 0.12802132413079 0.17986223281440 0.61290053136029 78.960 > 33 36 Se 0.62802132413079 0.17986223281440 0.61290053136029 78.960 > 33 37 Se 0.14215445686968 0.00000000000000 0.38848485989433 78.960 > 37 38 Se 0.64215445686968 0.00000000000000 0.38848485989433 78.960 > 37 39 Se 0.14215445686968 0.00000000000000 0.88848485989433 78.960 > 37 40 Se 0.64215445686968 0.00000000000000 0.88848485989433 78.960 > 37 41 Se 0.12197867586921 0.32013776718560 0.38709946863971 78.960 > 41 42 Se 0.62197867586921 0.32013776718560 0.38709946863971 78.960 > 41 43 Se 0.12197867586921 0.32013776718560 0.88709946863971 78.960 > 41 44 Se 0.62197867586921 0.32013776718560 0.88709946863971 78.960 > 41 45 Se 0.37197867586921 0.17986223281440 0.38709946863971 78.960 > 45 46 Se 0.87197867586921 0.17986223281440 0.38709946863971 78.960 > 45 47 Se 0.37197867586921 0.17986223281440 0.88709946863971 78.960 > 45 48 Se 0.87197867586921 0.17986223281440 0.88709946863971 78.960 > 45 49 Se 0.37802132413079 0.32013776718560 0.11290053136029 78.960 > 49 50 Se 0.87802132413079 0.32013776718560 0.11290053136029 78.960 > 49 51 Se 0.37802132413079 0.32013776718560 0.61290053136029 78.960 > 49 52 Se 0.87802132413079 0.32013776718560 0.61290053136029 78.960 > 49 53 Se 0.35784554313032 0.00000000000000 0.11151514010567 78.960 > 53 54 Se 0.85784554313032 0.00000000000000 0.11151514010567 78.960 > 53 55 Se 0.35784554313032 0.00000000000000 0.61151514010567 78.960 > 53 56 Se 0.85784554313032 0.00000000000000 0.61151514010567 78.960 > 53 57 Se 0.37802132413079 0.67986223281440 0.11290053136029 78.960 > 33 58 Se 0.87802132413079 0.67986223281440 0.11290053136029 78.960 > 33 59 Se 0.37802132413079 0.67986223281440 0.61290053136029 78.960 > 33 60 Se 0.87802132413079 0.67986223281440 0.61290053136029 78.960 > 33 61 Se 0.39215445686968 0.50000000000000 0.38848485989433 78.960 > 37 62 Se 0.89215445686968 0.50000000000000 0.38848485989433 78.960 > 37 63 Se 0.39215445686968 0.50000000000000 0.88848485989433 78.960 > 37 64 Se 0.89215445686968 0.50000000000000 0.88848485989433 78.960 > 37 65 Se 0.37197867586921 0.82013776718560 0.38709946863971 78.960 > 41 66 Se 0.87197867586921 0.82013776718560 0.38709946863971 78.960 > 41 67 Se 0.37197867586921 0.82013776718560 0.88709946863971 78.960 > 41 68 Se 0.87197867586921 0.82013776718560 0.88709946863971 78.960 > 41 69 Se 0.12197867586921 0.67986223281440 0.38709946863971 78.960 > 45 70 Se 0.62197867586921 0.67986223281440 0.38709946863971 78.960 > 45 71 Se 0.12197867586921 0.67986223281440 0.88709946863971 78.960 > 45 72 Se 0.62197867586921 0.67986223281440 0.88709946863971 78.960 > 45 73 Se 0.12802132413079 0.82013776718560 0.11290053136029 78.960 > 49 74 Se 0.62802132413079 0.82013776718560 0.11290053136029 78.960 > 49 75 Se 0.12802132413079 0.82013776718560 0.61290053136029 78.960 > 49 76 Se 0.62802132413079 0.82013776718560 0.61290053136029 78.960 > 49 77 Se 0.10784554313032 0.50000000000000 0.11151514010567 78.960 > 53 78 Se 0.60784554313032 0.50000000000000 0.11151514010567 78.960 > 53 79 Se 0.10784554313032 0.50000000000000 0.61151514010567 78.960 > 53 80 Se 0.60784554313032 0.50000000000000 0.61151514010567 78.960 > 53 81 Zr 0.25000000000000 0.16886118778883 0.00000000000000 91.224 > 81 82 Zr 0.75000000000000 0.16886118778883 0.00000000000000 91.224 > 81 83 Zr 0.25000000000000 0.16886118778883 0.50000000000000 91.224 > 81 84 Zr 0.75000000000000 0.16886118778883 0.50000000000000 91.224 > 81 85 Zr 0.00000000000000 0.33113881221118 0.00000000000000 91.224 > 85 86 Zr 0.50000000000000 0.33113881221118 0.00000000000000 91.224 > 85 87 Zr 0.00000000000000 0.33113881221118 0.50000000000000 91.224 > 85 88 Zr 0.50000000000000 0.33113881221118 0.50000000000000 91.224 > 85 89 Zr 0.00000000000000 0.66886118778883 0.00000000000000 91.224 > 81 90 Zr 0.50000000000000 0.66886118778883 0.00000000000000 91.224 > 81 91 Zr 0.00000000000000 0.66886118778883 0.50000000000000 91.224 > 81 92 Zr 0.50000000000000 0.66886118778883 0.50000000000000 91.224 > 81 93 Zr 0.25000000000000 0.83113881221117 0.00000000000000 91.224 > 85 94 Zr 0.75000000000000 0.83113881221117 0.00000000000000 91.224 > 85 95 Zr 0.25000000000000 0.83113881221117 0.50000000000000 91.224 > 85 96 Zr 0.75000000000000 0.83113881221117 0.50000000000000 91.224 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.0360848 0.0000000 0.0353715 0.0000000 8.5834371 0.0000000 0.0353687 0.0000000 6.0810099 -------------------------- Born effective charges -------------------------- 1 Na 1.2726476 0.0000000 0.0018329 0.0000000 1.2775772 0.0000000 -0.0085173 0.0000000 0.3192853 2 Na 0.7700590 0.0000000 0.0507430 0.0000000 1.3509024 0.0000000 -0.0164897 0.0000000 1.8357343 3 Na 1.2125361 0.0000000 -0.0000043 0.0000000 0.9179245 0.0000000 0.0189760 0.0000000 1.8465569 4 Na 1.2125361 0.0000000 -0.0000043 0.0000000 0.9179245 0.0000000 0.0189760 0.0000000 1.8465569 5 Se -3.6213706 0.9779072 0.2288367 0.9380722 -2.3735910 0.4871233 0.2200305 0.4097810 -1.8658991 6 Se -1.9025929 0.0000000 -0.5850045 0.0000000 -4.0195633 0.0000000 -0.4990203 0.0000000 -1.9525259 7 Se -3.6213706 0.9779072 0.2288367 0.9380722 -2.3735910 0.4871233 0.2200305 0.4097810 -1.8658991 8 Se -3.6213706 -0.9779072 0.2288367 -0.9380722 -2.3735910 -0.4871233 0.2200305 -0.4097810 -1.8658991 9 Se -3.6213706 -0.9779072 0.2288367 -0.9380722 -2.3735910 -0.4871233 0.2200305 -0.4097810 -1.8658991 10 Se -1.9025929 0.0000000 -0.5850045 0.0000000 -4.0195633 0.0000000 -0.4990203 0.0000000 -1.9525259 11 Zr 6.9114446 0.0000000 0.1010475 0.0000000 6.5345811 0.0000000 0.0524868 0.0000000 2.7602574 12 Zr 6.9114446 0.0000000 0.1010475 0.0000000 6.5345811 0.0000000 0.0524868 0.0000000 2.7602574 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zx) -0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:18:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:18:25]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.441735540539951 -5.977328945000000 0.000000000000000 b 3.441735540539951 5.977328945000000 0.000000000000000 c -2.323436066459094 0.000000000000000 6.826231775009357 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 3 Na 0.84283908087427 0.15716091912573 0.50000000000000 22.990 4 Na 0.15716091912573 0.84283908087427 0.50000000000000 22.990 5 Se 0.07618041544719 0.43590488107598 0.22580106272059 78.960 6 Se 0.28430891373936 0.28430891373936 0.77696971978866 78.960 7 Se 0.92381958455281 0.56409511892402 0.77419893727941 78.960 8 Se 0.56409511892402 0.92381958455281 0.77419893727941 78.960 9 Se 0.43590488107598 0.07618041544719 0.22580106272059 78.960 10 Se 0.71569108626064 0.71569108626064 0.22303028021134 78.960 11 Zr 0.33113881221118 0.66886118778882 0.00000000000000 91.224 12 Zr 0.66886118778882 0.33113881221118 0.00000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.766942162159804 0.000000000000000 0.000000000000000 b 0.000000000000000 11.954657890000000 0.000000000000000 c -4.646872132918188 0.000000000000000 13.652463550018714 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 4 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 5 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 5 6 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 5 7 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 5 8 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 5 9 Na 0.00000000000000 0.15716091912573 0.25000000000000 22.990 > 9 10 Na 0.50000000000000 0.15716091912573 0.25000000000000 22.990 > 9 11 Na 0.00000000000000 0.15716091912573 0.75000000000000 22.990 > 9 12 Na 0.50000000000000 0.15716091912573 0.75000000000000 22.990 > 9 13 Na 0.25000000000000 0.34283908087427 0.25000000000000 22.990 > 13 14 Na 0.75000000000000 0.34283908087427 0.25000000000000 22.990 > 13 15 Na 0.25000000000000 0.34283908087427 0.75000000000000 22.990 > 13 16 Na 0.75000000000000 0.34283908087427 0.75000000000000 22.990 > 13 17 Na 0.25000000000000 0.50000000000000 0.00000000000000 22.990 > 1 18 Na 0.75000000000000 0.50000000000000 0.00000000000000 22.990 > 1 19 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 1 20 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 1 21 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 5 22 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 5 23 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 5 24 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 5 25 Na 0.25000000000000 0.65716091912573 0.25000000000000 22.990 > 9 26 Na 0.75000000000000 0.65716091912573 0.25000000000000 22.990 > 9 27 Na 0.25000000000000 0.65716091912573 0.75000000000000 22.990 > 9 28 Na 0.75000000000000 0.65716091912573 0.75000000000000 22.990 > 9 29 Na 0.00000000000000 0.84283908087427 0.25000000000000 22.990 > 13 30 Na 0.50000000000000 0.84283908087427 0.25000000000000 22.990 > 13 31 Na 0.00000000000000 0.84283908087427 0.75000000000000 22.990 > 13 32 Na 0.50000000000000 0.84283908087427 0.75000000000000 22.990 > 13 33 Se 0.12802132413079 0.17986223281440 0.11290053136029 78.960 > 33 34 Se 0.62802132413079 0.17986223281440 0.11290053136029 78.960 > 33 35 Se 0.12802132413079 0.17986223281440 0.61290053136029 78.960 > 33 36 Se 0.62802132413079 0.17986223281440 0.61290053136029 78.960 > 33 37 Se 0.14215445686968 0.00000000000000 0.38848485989433 78.960 > 37 38 Se 0.64215445686968 0.00000000000000 0.38848485989433 78.960 > 37 39 Se 0.14215445686968 0.00000000000000 0.88848485989433 78.960 > 37 40 Se 0.64215445686968 0.00000000000000 0.88848485989433 78.960 > 37 41 Se 0.12197867586921 0.32013776718560 0.38709946863971 78.960 > 41 42 Se 0.62197867586921 0.32013776718560 0.38709946863971 78.960 > 41 43 Se 0.12197867586921 0.32013776718560 0.88709946863971 78.960 > 41 44 Se 0.62197867586921 0.32013776718560 0.88709946863971 78.960 > 41 45 Se 0.37197867586921 0.17986223281440 0.38709946863971 78.960 > 45 46 Se 0.87197867586921 0.17986223281440 0.38709946863971 78.960 > 45 47 Se 0.37197867586921 0.17986223281440 0.88709946863971 78.960 > 45 48 Se 0.87197867586921 0.17986223281440 0.88709946863971 78.960 > 45 49 Se 0.37802132413079 0.32013776718560 0.11290053136029 78.960 > 49 50 Se 0.87802132413079 0.32013776718560 0.11290053136029 78.960 > 49 51 Se 0.37802132413079 0.32013776718560 0.61290053136029 78.960 > 49 52 Se 0.87802132413079 0.32013776718560 0.61290053136029 78.960 > 49 53 Se 0.35784554313032 0.00000000000000 0.11151514010567 78.960 > 53 54 Se 0.85784554313032 0.00000000000000 0.11151514010567 78.960 > 53 55 Se 0.35784554313032 0.00000000000000 0.61151514010567 78.960 > 53 56 Se 0.85784554313032 0.00000000000000 0.61151514010567 78.960 > 53 57 Se 0.37802132413079 0.67986223281440 0.11290053136029 78.960 > 33 58 Se 0.87802132413079 0.67986223281440 0.11290053136029 78.960 > 33 59 Se 0.37802132413079 0.67986223281440 0.61290053136029 78.960 > 33 60 Se 0.87802132413079 0.67986223281440 0.61290053136029 78.960 > 33 61 Se 0.39215445686968 0.50000000000000 0.38848485989433 78.960 > 37 62 Se 0.89215445686968 0.50000000000000 0.38848485989433 78.960 > 37 63 Se 0.39215445686968 0.50000000000000 0.88848485989433 78.960 > 37 64 Se 0.89215445686968 0.50000000000000 0.88848485989433 78.960 > 37 65 Se 0.37197867586921 0.82013776718560 0.38709946863971 78.960 > 41 66 Se 0.87197867586921 0.82013776718560 0.38709946863971 78.960 > 41 67 Se 0.37197867586921 0.82013776718560 0.88709946863971 78.960 > 41 68 Se 0.87197867586921 0.82013776718560 0.88709946863971 78.960 > 41 69 Se 0.12197867586921 0.67986223281440 0.38709946863971 78.960 > 45 70 Se 0.62197867586921 0.67986223281440 0.38709946863971 78.960 > 45 71 Se 0.12197867586921 0.67986223281440 0.88709946863971 78.960 > 45 72 Se 0.62197867586921 0.67986223281440 0.88709946863971 78.960 > 45 73 Se 0.12802132413079 0.82013776718560 0.11290053136029 78.960 > 49 74 Se 0.62802132413079 0.82013776718560 0.11290053136029 78.960 > 49 75 Se 0.12802132413079 0.82013776718560 0.61290053136029 78.960 > 49 76 Se 0.62802132413079 0.82013776718560 0.61290053136029 78.960 > 49 77 Se 0.10784554313032 0.50000000000000 0.11151514010567 78.960 > 53 78 Se 0.60784554313032 0.50000000000000 0.11151514010567 78.960 > 53 79 Se 0.10784554313032 0.50000000000000 0.61151514010567 78.960 > 53 80 Se 0.60784554313032 0.50000000000000 0.61151514010567 78.960 > 53 81 Zr 0.25000000000000 0.16886118778883 0.00000000000000 91.224 > 81 82 Zr 0.75000000000000 0.16886118778883 0.00000000000000 91.224 > 81 83 Zr 0.25000000000000 0.16886118778883 0.50000000000000 91.224 > 81 84 Zr 0.75000000000000 0.16886118778883 0.50000000000000 91.224 > 81 85 Zr 0.00000000000000 0.33113881221118 0.00000000000000 91.224 > 85 86 Zr 0.50000000000000 0.33113881221118 0.00000000000000 91.224 > 85 87 Zr 0.00000000000000 0.33113881221118 0.50000000000000 91.224 > 85 88 Zr 0.50000000000000 0.33113881221118 0.50000000000000 91.224 > 85 89 Zr 0.00000000000000 0.66886118778883 0.00000000000000 91.224 > 81 90 Zr 0.50000000000000 0.66886118778883 0.00000000000000 91.224 > 81 91 Zr 0.00000000000000 0.66886118778883 0.50000000000000 91.224 > 81 92 Zr 0.50000000000000 0.66886118778883 0.50000000000000 91.224 > 81 93 Zr 0.25000000000000 0.83113881221117 0.00000000000000 91.224 > 85 94 Zr 0.75000000000000 0.83113881221117 0.00000000000000 91.224 > 85 95 Zr 0.25000000000000 0.83113881221117 0.50000000000000 91.224 > 85 96 Zr 0.75000000000000 0.83113881221117 0.50000000000000 91.224 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.0360848 0.0000000 0.0353715 0.0000000 8.5834371 0.0000000 0.0353687 0.0000000 6.0810099 -------------------------- Born effective charges -------------------------- 1 Na 1.2726476 0.0000000 0.0018329 0.0000000 1.2775772 0.0000000 -0.0085173 0.0000000 0.3192853 2 Na 0.7700590 0.0000000 0.0507430 0.0000000 1.3509024 0.0000000 -0.0164897 0.0000000 1.8357343 3 Na 1.2125361 0.0000000 -0.0000043 0.0000000 0.9179245 0.0000000 0.0189760 0.0000000 1.8465569 4 Na 1.2125361 0.0000000 -0.0000043 0.0000000 0.9179245 0.0000000 0.0189760 0.0000000 1.8465569 5 Se -3.6213706 0.9779072 0.2288367 0.9380722 -2.3735910 0.4871233 0.2200305 0.4097810 -1.8658991 6 Se -1.9025929 0.0000000 -0.5850045 0.0000000 -4.0195633 0.0000000 -0.4990203 0.0000000 -1.9525259 7 Se -3.6213706 0.9779072 0.2288367 0.9380722 -2.3735910 0.4871233 0.2200305 0.4097810 -1.8658991 8 Se -3.6213706 -0.9779072 0.2288367 -0.9380722 -2.3735910 -0.4871233 0.2200305 -0.4097810 -1.8658991 9 Se -3.6213706 -0.9779072 0.2288367 -0.9380722 -2.3735910 -0.4871233 0.2200305 -0.4097810 -1.8658991 10 Se -1.9025929 0.0000000 -0.5850045 0.0000000 -4.0195633 0.0000000 -0.4990203 0.0000000 -1.9525259 11 Zr 6.9114446 0.0000000 0.1010475 0.0000000 6.5345811 0.0000000 0.0524868 0.0000000 2.7602574 12 Zr 6.9114446 0.0000000 0.1010475 0.0000000 6.5345811 0.0000000 0.0524868 0.0000000 2.7602574 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 7 ] 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: 0.63, Number of G-points: 307, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.585 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.665 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 4.332 ( 0.000 0.000 0.000) 0.000 4.418 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 5.254 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.719 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.137 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 7.099 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 18.056 -2.400 12.065) 21.848 0.537 ( 24.076 -8.570 8.451) 26.917 0.830 ( 32.695 -23.727 10.278) 41.685 1.603 ( 2.484 -0.492 -0.747) 2.640 2.167 ( -2.804 3.516 -3.205) 5.523 2.560 ( -3.021 0.492 -1.920) 3.614 2.592 ( -6.824 1.711 1.523) 7.198 2.623 ( -4.270 -2.201 0.271) 4.812 2.859 ( 7.188 4.623 -0.818) 8.585 2.957 ( 4.833 -3.637 -4.654) 7.632 3.128 ( -2.774 0.803 0.068) 2.889 3.302 ( -2.596 3.288 -1.311) 4.389 3.425 ( -5.349 5.924 0.763) 8.018 3.625 ( -4.708 -3.488 -4.289) 7.261 3.804 ( 0.011 5.669 5.835) 8.136 4.024 ( -5.819 -3.133 6.434) 9.224 4.174 ( -3.713 -0.622 -3.370) 5.053 4.291 ( 2.973 3.020 2.086) 4.723 4.335 ( 1.530 -1.832 1.819) 3.000 4.410 ( 0.888 0.423 -1.726) 1.987 4.532 ( 6.699 -0.543 2.791) 7.277 4.794 ( -1.443 3.143 1.063) 3.618 4.874 ( 7.105 1.291 -2.669) 7.698 4.939 ( 2.867 -1.313 -0.939) 3.290 5.210 ( 0.297 -1.135 -8.363) 8.444 5.260 ( -0.093 0.852 1.878) 2.064 5.298 ( -2.728 -2.932 -4.638) 6.128 5.538 ( 0.156 -0.038 -0.147) 0.218 5.670 ( -2.074 2.359 -5.619) 6.437 5.722 ( -0.070 2.413 1.472) 2.827 5.821 ( 0.004 3.891 -0.392) 3.911 6.073 ( 2.322 -6.668 -1.802) 7.287 6.189 ( 3.690 -3.236 2.510) 5.512 6.339 ( -2.334 -0.121 2.828) 3.668 6.964 ( -1.705 -1.273 -16.720) 16.855 7.426 ( -3.131 3.863 8.418) 9.777 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 18.180 -2.569 10.495) 21.149 1.006 ( 19.106 -6.765 7.103) 21.477 1.570 ( 25.629 -17.475 5.788) 31.555 1.686 ( 7.916 -4.691 -0.064) 9.202 2.073 ( -3.271 1.505 -0.807) 3.690 2.430 ( -8.331 -1.218 0.339) 8.426 2.539 ( 0.332 2.439 -3.441) 4.231 2.563 ( -4.312 0.062 -1.170) 4.468 2.907 ( 4.303 4.014 -3.221) 6.709 3.004 ( -5.739 4.335 -2.732) 7.694 3.023 ( 3.856 2.515 -2.284) 5.140 3.247 ( -0.477 3.730 -0.617) 3.810 3.306 ( -8.441 0.554 8.785) 12.195 3.522 ( -9.423 -2.322 0.066) 9.705 3.780 ( -0.978 2.812 5.247) 6.033 3.967 ( -5.547 0.731 3.376) 6.535 4.108 ( -2.123 0.694 -2.408) 3.285 4.345 ( 1.988 3.128 2.539) 4.493 4.391 ( 3.323 -1.020 1.687) 3.864 4.411 ( 1.819 0.258 -0.437) 1.888 4.647 ( 3.980 -1.189 0.842) 4.238 4.775 ( 1.260 0.586 3.657) 3.912 4.949 ( 0.100 -0.909 -1.773) 1.995 4.995 ( 5.615 0.061 -1.812) 5.900 5.181 ( 0.373 -2.722 -5.134) 5.823 5.259 ( -2.659 -3.615 -4.318) 6.227 5.265 ( 0.021 0.873 0.893) 1.249 5.483 ( -5.742 2.666 -3.655) 7.310 5.607 ( 1.320 1.389 -3.844) 4.295 5.675 ( -0.803 3.940 -0.212) 4.027 5.798 ( -0.283 1.947 1.352) 2.387 6.189 ( 5.225 -6.574 -2.211) 8.683 6.287 ( -3.552 0.707 5.658) 6.718 6.339 ( 4.118 -6.359 0.501) 7.592 6.815 ( -7.971 1.923 -5.466) 9.854 7.367 ( -1.869 4.993 -0.280) 5.338 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 17.640 -2.089 8.304) 19.609 1.339 ( 11.791 -4.291 4.555) 13.349 1.781 ( 3.675 -2.773 -2.345) 5.166 2.028 ( 1.342 -5.726 3.714) 6.955 2.113 ( 8.846 -6.560 1.238) 11.083 2.412 ( -0.238 -7.145 -0.742) 7.187 2.464 ( 0.966 4.459 0.045) 4.563 2.526 ( 2.657 0.603 -5.943) 6.538 2.828 ( -2.936 4.978 -2.780) 6.413 2.929 ( -0.767 0.965 -2.574) 2.854 3.055 ( 5.097 3.892 -0.455) 6.429 3.141 ( -9.925 2.153 8.362) 13.156 3.258 ( -5.020 -0.741 4.916) 7.065 3.406 ( -4.959 -0.263 1.249) 5.121 3.751 ( -4.982 0.460 2.662) 5.667 3.904 ( 0.138 3.140 0.706) 3.221 4.083 ( -0.624 -2.742 -1.252) 3.078 4.274 ( -2.682 6.203 -0.993) 6.831 4.455 ( 1.990 -0.620 -0.456) 2.134 4.496 ( 4.581 -0.120 4.180) 6.202 4.687 ( -0.527 -0.398 -0.133) 0.674 4.824 ( 2.215 1.161 1.424) 2.878 4.914 ( 1.007 2.576 -1.908) 3.360 5.063 ( 1.987 -1.509 -0.095) 2.497 5.189 ( -2.757 -0.256 -3.183) 4.219 5.240 ( -0.630 -3.544 -2.888) 4.615 5.269 ( 1.415 0.993 0.503) 1.800 5.345 ( -3.066 -1.388 -4.731) 5.806 5.579 ( 0.631 3.545 -3.333) 4.907 5.682 ( 1.698 -1.691 1.206) 2.682 5.782 ( -0.776 1.354 1.570) 2.213 6.179 ( -7.433 2.355 0.699) 7.828 6.336 ( 5.572 -1.527 3.191) 6.600 6.493 ( 3.458 -8.748 2.883) 9.839 6.645 ( -7.257 0.486 -4.566) 8.588 7.274 ( -1.797 6.276 -2.845) 7.121 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 13.862 -0.631 5.617) 14.970 1.518 ( 4.944 -1.601 1.042) 5.301 1.732 ( -8.535 -1.281 -2.879) 9.098 2.124 ( 2.190 -3.169 1.697) 4.209 2.233 ( 1.238 -2.540 3.368) 4.396 2.339 ( -2.772 1.119 -1.211) 3.226 2.519 ( 4.970 0.715 -8.217) 9.629 2.614 ( 3.318 -0.614 0.532) 3.416 2.782 ( 1.720 0.840 -1.199) 2.259 2.866 ( -4.501 1.028 0.844) 4.693 3.036 ( -4.826 0.127 4.171) 6.380 3.121 ( 6.881 4.192 -1.447) 8.186 3.193 ( -7.423 -4.024 5.204) 9.918 3.399 ( 1.631 -0.253 -0.160) 1.658 3.673 ( -3.478 0.470 1.605) 3.859 3.908 ( 1.061 0.563 0.171) 1.213 4.118 ( 0.497 -4.971 -2.094) 5.417 4.176 ( -1.581 5.848 1.522) 6.247 4.428 ( -2.071 2.489 -2.745) 4.245 4.556 ( 0.928 0.337 1.187) 1.544 4.703 ( 2.599 -1.952 2.939) 4.382 4.820 ( -1.001 2.944 -1.642) 3.516 4.923 ( 1.158 -0.028 -0.622) 1.315 5.063 ( -1.495 1.344 -1.753) 2.667 5.144 ( -0.888 -2.950 1.577) 3.461 5.206 ( -0.699 3.336 -0.089) 3.410 5.273 ( -0.587 -2.955 -2.096) 3.670 5.410 ( 4.565 -2.446 -2.149) 5.608 5.547 ( 0.361 1.705 -1.464) 2.276 5.725 ( -1.198 -2.104 3.029) 3.878 5.773 ( 1.098 1.000 -0.281) 1.511 6.037 ( -5.412 2.470 0.363) 5.961 6.425 ( 2.973 2.137 3.953) 5.388 6.541 ( -3.303 -2.166 -4.340) 5.868 6.619 ( 1.563 -5.137 1.413) 5.552 7.183 ( -0.986 3.805 -1.805) 4.325 ======================= Grid point 10 (6/160) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 19.034 0.000 13.866) 23.549 0.876 ( 21.000 0.000 12.091) 24.232 1.364 ( 35.863 0.000 6.049) 36.369 1.655 ( 5.242 0.000 -1.345) 5.412 2.089 ( -5.499 -0.000 -1.815) 5.791 2.398 ( -10.100 -0.000 -1.802) 10.260 2.544 ( -2.752 -0.000 -0.220) 2.761 2.595 ( -0.472 -0.000 -2.375) 2.422 2.938 ( 3.219 0.000 -7.386) 8.057 3.032 ( 2.697 0.000 -1.502) 3.087 3.067 ( -2.856 -0.000 0.677) 2.935 3.285 ( 0.506 0.000 1.713) 1.786 3.331 ( -9.959 -0.000 3.009) 10.404 3.460 ( -9.632 -0.000 -3.784) 10.349 3.846 ( -3.547 -0.000 7.323) 8.137 3.937 ( -5.642 -0.000 3.589) 6.686 4.146 ( -0.018 -0.000 0.588) 0.588 4.378 ( 5.288 0.000 2.007) 5.656 4.383 ( 2.452 0.000 4.081) 4.761 4.410 ( 1.408 0.000 -2.706) 3.051 4.630 ( 2.506 0.000 -0.957) 2.683 4.790 ( 0.689 0.000 6.239) 6.277 4.902 ( 1.841 0.000 -4.456) 4.821 4.995 ( 4.952 0.000 -1.768) 5.258 5.178 ( 0.686 0.000 -8.204) 8.233 5.190 ( -3.856 -0.000 -6.036) 7.163 5.281 ( 0.232 0.000 3.228) 3.236 5.516 ( -3.414 -0.000 -3.552) 4.926 5.624 ( -0.048 -0.000 -4.492) 4.492 5.723 ( -2.486 -0.000 0.521) 2.540 5.825 ( -1.342 -0.000 -0.153) 1.351 6.090 ( 4.884 0.000 -1.071) 5.001 6.298 ( 8.191 0.000 1.581) 8.342 6.299 ( -4.277 -0.000 2.174) 4.797 6.826 ( -7.088 -0.000 -7.238) 10.130 7.421 ( -3.692 -0.000 5.066) 6.268 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 17.989 4.363 11.922) 22.018 1.274 ( 16.292 -3.151 6.892) 17.968 1.752 ( 6.523 -0.210 -1.161) 6.628 1.876 ( 10.150 -6.817 3.843) 12.817 2.068 ( 8.233 0.055 3.220) 8.841 2.275 ( -4.996 -5.470 1.574) 7.573 2.489 ( -3.046 -0.158 -0.855) 3.167 2.572 ( 2.699 2.088 -7.269) 8.030 2.897 ( -7.025 2.423 -3.886) 8.386 2.937 ( 1.760 -0.081 -8.764) 8.940 3.122 ( 4.219 2.569 -0.429) 4.958 3.172 ( -12.468 0.950 8.442) 15.087 3.264 ( -8.865 0.750 1.519) 9.026 3.360 ( 0.369 -3.011 1.267) 3.287 3.792 ( -4.080 2.727 3.955) 6.303 3.893 ( -2.840 -2.653 0.278) 3.896 4.133 ( 0.640 4.779 0.162) 4.824 4.394 ( -0.632 5.260 0.638) 5.336 4.442 ( 2.412 -0.926 0.953) 2.754 4.497 ( 6.730 0.217 2.447) 7.164 4.639 ( 0.534 -3.358 -1.102) 3.574 4.849 ( 1.785 2.183 1.384) 3.141 4.917 ( -0.118 -3.417 -1.049) 3.576 5.046 ( 1.831 0.758 -6.174) 6.484 5.146 ( 3.119 -3.243 -0.958) 4.600 5.153 ( -1.345 -2.583 -5.565) 6.281 5.300 ( 0.576 0.891 3.260) 3.428 5.379 ( -6.915 3.067 -5.854) 9.565 5.629 ( 1.688 1.193 -2.636) 3.350 5.665 ( -2.537 -0.118 -0.843) 2.676 5.797 ( -1.719 0.542 1.070) 2.096 6.135 ( -5.872 -4.478 -2.852) 7.916 6.287 ( 3.292 -1.124 7.041) 7.854 6.441 ( 7.386 0.337 3.601) 8.224 6.661 ( -8.451 0.452 -4.110) 9.408 7.370 ( -3.001 3.188 1.592) 4.659 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 13.651 1.586 8.262) 16.035 1.527 ( 12.219 2.512 2.847) 12.795 1.751 ( -4.204 2.939 -0.438) 5.148 2.004 ( 0.245 -8.877 6.414) 10.954 2.176 ( 2.362 -1.038 3.529) 4.372 2.310 ( -4.281 -2.864 -1.610) 5.396 2.502 ( 0.927 -5.246 -4.131) 6.741 2.646 ( 11.973 3.759 -2.373) 12.771 2.771 ( -2.828 0.745 -4.490) 5.359 2.901 ( -0.992 0.815 -5.525) 5.672 3.025 ( -9.399 -1.081 6.774) 11.636 3.119 ( -8.030 -3.242 2.235) 8.943 3.178 ( 4.442 1.807 -1.198) 4.943 3.405 ( 2.002 0.694 1.490) 2.590 3.718 ( -2.341 3.470 0.723) 4.248 3.900 ( 0.842 -2.256 -1.634) 2.910 4.097 ( 0.735 3.345 -0.974) 3.561 4.314 ( -1.532 7.725 1.917) 8.105 4.474 ( 0.663 1.315 -1.799) 2.325 4.573 ( 2.523 2.046 -0.262) 3.259 4.675 ( 1.086 -0.834 -0.095) 1.373 4.852 ( 0.020 0.029 -2.294) 2.294 4.925 ( 1.124 -1.378 -0.780) 1.942 5.033 ( -0.924 -3.250 -5.109) 6.125 5.119 ( -2.821 -0.819 -1.774) 3.431 5.216 ( -1.894 0.297 -1.669) 2.542 5.262 ( 1.885 0.962 0.142) 2.121 5.346 ( 4.500 -3.110 -0.202) 5.474 5.587 ( -2.070 1.294 -0.508) 2.493 5.670 ( -1.211 -2.208 0.912) 2.678 5.781 ( -0.451 -0.115 0.997) 1.100 6.005 ( -11.032 -4.762 -1.704) 12.136 6.415 ( 0.775 -1.994 5.791) 6.173 6.533 ( 0.689 0.952 -0.657) 1.346 6.576 ( 4.284 -0.141 4.706) 6.365 7.285 ( -2.743 5.566 -0.283) 6.211 ======================= Grid point 13 (9/160) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -7.472 6.361 -0.537) 9.827 1.585 ( -0.812 5.732 0.916) 5.862 1.790 ( 11.643 3.891 3.457) 12.753 2.114 ( -0.066 -5.294 5.505) 7.638 2.208 ( -3.903 -4.057 3.298) 6.524 2.255 ( -3.337 -4.457 -1.986) 5.911 2.549 ( 2.868 -1.904 -5.857) 6.794 2.645 ( -3.575 4.341 4.599) 7.264 2.726 ( -4.288 -1.420 -0.522) 4.547 2.872 ( 1.942 -0.142 -2.248) 2.974 3.001 ( 0.128 -4.257 -1.333) 4.463 3.049 ( -3.910 -2.296 -0.612) 4.575 3.258 ( 7.948 2.613 -6.216) 10.423 3.410 ( -2.172 0.647 1.472) 2.702 3.705 ( 5.029 3.136 -2.050) 6.271 3.913 ( 0.288 0.890 -1.616) 1.867 4.107 ( 2.170 -1.445 -1.038) 2.806 4.240 ( -0.243 7.119 2.686) 7.612 4.425 ( 0.375 2.653 -1.387) 3.017 4.563 ( 0.190 1.608 -2.372) 2.872 4.721 ( -0.410 -0.908 -1.660) 1.936 4.775 ( -3.070 -0.897 -2.433) 4.018 4.952 ( -1.286 2.973 -0.170) 3.244 5.021 ( 1.310 -3.854 -2.748) 4.911 5.102 ( -0.251 -3.456 0.065) 3.466 5.215 ( 0.594 -0.528 -1.203) 1.442 5.288 ( 1.989 0.687 3.368) 3.971 5.425 ( -0.942 -0.840 -0.220) 1.281 5.554 ( -0.660 1.623 2.168) 2.787 5.672 ( -2.041 -6.123 1.691) 6.672 5.780 ( -0.753 0.485 -2.019) 2.209 5.925 ( -2.332 -7.922 -2.657) 8.675 6.381 ( -3.746 -1.720 -2.569) 4.857 6.591 ( 3.282 3.012 6.581) 7.946 6.699 ( 5.525 1.800 7.860) 9.775 7.190 ( -2.418 4.300 0.094) 4.934 ======================= Grid point 14 (10/160) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -10.575 11.716 -0.867) 15.807 1.451 ( -7.902 7.861 -2.694) 11.468 1.850 ( -1.578 4.482 1.062) 4.869 2.087 ( -4.390 1.856 -0.166) 4.769 2.201 ( -2.407 -0.463 -1.463) 2.855 2.328 ( 2.261 -9.220 4.613) 10.555 2.515 ( -3.559 5.448 6.930) 9.507 2.573 ( -2.835 2.769 -1.337) 4.182 2.705 ( -1.968 -6.653 -1.298) 7.058 2.910 ( 1.333 -1.284 -3.482) 3.943 2.976 ( -5.051 -5.348 0.716) 7.391 3.111 ( 8.000 -0.861 -5.176) 9.567 3.298 ( 6.307 3.420 -8.527) 11.144 3.374 ( -0.192 -2.037 -1.733) 2.681 3.769 ( 7.402 1.301 -2.306) 7.861 3.871 ( -2.502 1.574 -0.939) 3.102 4.177 ( 3.603 0.667 -2.058) 4.203 4.201 ( 1.912 3.237 3.944) 5.448 4.461 ( 1.397 -0.209 1.767) 2.262 4.504 ( -3.618 1.473 -4.552) 5.998 4.659 ( -0.950 -2.391 -1.988) 3.251 4.792 ( -0.825 -2.307 -0.433) 2.488 4.881 ( -4.148 -0.473 -0.247) 4.182 5.054 ( -1.135 -2.461 -2.888) 3.961 5.158 ( 2.141 -3.663 1.488) 4.496 5.227 ( 2.661 1.096 -0.100) 2.879 5.343 ( 1.686 2.218 4.291) 5.116 5.360 ( -3.174 0.066 1.836) 3.668 5.545 ( -1.172 0.604 4.782) 4.960 5.710 ( -1.948 -0.035 -3.871) 4.334 5.735 ( -0.579 -3.183 -0.671) 3.304 6.047 ( 6.618 -10.811 -3.734) 13.214 6.331 ( -2.211 -0.713 -2.907) 3.721 6.628 ( -0.422 3.430 7.146) 7.938 6.751 ( 4.550 11.011 3.733) 12.486 7.172 ( -0.428 -3.609 5.061) 6.230 ======================= Grid point 15 (11/160) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -7.878 17.373 -0.641) 19.087 1.154 ( -15.927 9.876 -4.560) 19.287 1.731 ( -6.224 5.088 1.056) 8.108 1.968 ( -12.989 14.172 -4.947) 19.850 2.051 ( -3.916 2.075 0.055) 4.432 2.381 ( -1.346 -4.675 2.679) 5.554 2.506 ( 0.101 0.068 0.701) 0.712 2.593 ( 8.742 0.494 1.512) 8.886 2.764 ( -1.725 -10.763 1.971) 11.077 2.899 ( -0.803 -5.456 -5.244) 7.610 2.981 ( -2.057 -2.686 3.585) 4.929 3.190 ( 1.836 -1.490 -1.363) 2.729 3.323 ( 6.728 2.032 -7.743) 10.457 3.472 ( 7.909 -5.730 -4.909) 10.931 3.804 ( -2.967 2.420 -0.171) 3.833 3.904 ( 8.290 -3.032 -0.125) 8.828 4.161 ( 2.762 5.039 0.076) 5.747 4.278 ( 0.405 -3.503 -0.990) 3.663 4.406 ( -3.139 0.021 -1.894) 3.666 4.435 ( -1.744 3.404 -0.346) 3.840 4.646 ( -4.695 -1.421 -2.132) 5.349 4.770 ( -2.272 -0.650 -1.594) 2.851 4.886 ( 0.372 -4.429 3.549) 5.688 5.007 ( -3.844 -0.968 -4.446) 5.956 5.189 ( -2.550 -2.135 1.892) 3.826 5.266 ( 1.681 1.346 1.485) 2.616 5.331 ( 3.045 3.609 1.968) 5.115 5.437 ( 4.511 -2.870 2.794) 6.032 5.570 ( 0.236 -1.599 5.110) 5.359 5.638 ( -2.886 -0.129 -2.094) 3.568 5.756 ( -0.564 -2.674 -1.307) 3.029 6.220 ( 5.458 -4.516 -2.483) 7.507 6.287 ( 0.403 2.039 -2.541) 3.283 6.543 ( -3.925 11.319 1.856) 12.123 6.783 ( 5.767 1.562 3.019) 6.694 7.264 ( 0.402 -5.791 7.819) 9.738 ======================= Grid point 16 (12/160) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -1.334 23.994 1.935) 24.109 0.728 ( -19.151 12.877 -4.619) 23.535 1.386 ( -18.794 31.868 -8.545) 37.971 1.632 ( -3.869 3.250 0.528) 5.081 2.073 ( 0.290 -6.058 0.820) 6.120 2.458 ( 0.053 -8.417 1.390) 8.531 2.539 ( 2.729 -2.029 -0.063) 3.401 2.708 ( 4.764 2.579 -0.368) 5.429 2.798 ( -0.162 -2.617 -0.481) 2.666 2.974 ( -4.099 -1.559 5.249) 6.840 3.028 ( 5.245 -13.957 0.586) 14.921 3.193 ( -2.155 -2.236 -0.047) 3.105 3.379 ( 5.142 0.566 -5.174) 7.316 3.621 ( 6.174 -5.070 -3.682) 8.797 3.738 ( -3.008 0.843 0.663) 3.193 4.056 ( 7.446 -0.725 -1.855) 7.707 4.196 ( 4.352 1.548 2.084) 5.067 4.232 ( -4.111 -2.700 -4.118) 6.415 4.367 ( -1.737 0.986 0.836) 2.165 4.410 ( -0.200 1.616 0.326) 1.661 4.542 ( -6.397 0.139 -1.906) 6.677 4.739 ( -1.871 -2.021 -0.929) 2.906 4.871 ( -8.098 -0.098 -1.629) 8.261 4.953 ( 0.173 -0.257 -0.339) 0.459 5.198 ( 0.247 -2.135 2.174) 3.057 5.261 ( -0.727 1.300 0.466) 1.560 5.362 ( 2.395 3.399 2.675) 4.944 5.529 ( 1.014 -1.654 -0.032) 1.940 5.618 ( 1.717 -2.740 3.149) 4.514 5.646 ( 0.878 -4.312 0.831) 4.478 5.756 ( -1.371 -2.728 -1.098) 3.245 6.213 ( 0.260 7.843 2.380) 8.200 6.331 ( 5.364 1.431 -5.981) 8.161 6.373 ( -3.374 10.890 0.307) 11.405 6.913 ( 4.446 -5.582 3.792) 8.081 7.349 ( -0.393 -4.155 5.165) 6.640 ======================= Grid point 17 (13/160) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 0.000 18.678 0.000) 18.678 0.500 ( 0.000 26.331 0.000) 26.331 0.785 ( 0.000 41.509 0.000) 41.509 1.588 ( 0.000 0.781 0.000) 0.781 2.142 ( -0.000 -6.380 -0.000) 6.380 2.523 ( -0.000 -5.931 -0.000) 5.931 2.617 ( -0.000 -5.759 -0.000) 5.759 2.686 ( 0.000 1.710 0.000) 1.710 2.882 ( 0.000 3.639 0.000) 3.639 2.899 ( -0.000 -0.431 -0.000) 0.431 3.155 ( 0.000 1.136 0.000) 1.136 3.266 ( -0.000 -14.692 -0.000) 14.692 3.413 ( -0.000 -3.090 -0.000) 3.090 3.697 ( 0.000 1.918 0.000) 1.918 3.713 ( -0.000 -5.764 -0.000) 5.764 4.082 ( 0.000 3.169 0.000) 3.169 4.220 ( -0.000 -3.761 -0.000) 3.761 4.275 ( -0.000 -0.235 -0.000) 0.235 4.366 ( 0.000 3.545 0.000) 3.545 4.374 ( -0.000 -2.003 -0.000) 2.003 4.445 ( 0.000 0.944 0.000) 0.944 4.672 ( 0.000 5.339 0.000) 5.339 4.805 ( -0.000 -3.106 -0.000) 3.106 4.945 ( 0.000 1.848 0.000) 1.848 5.237 ( -0.000 -2.437 -0.000) 2.437 5.246 ( -0.000 -0.115 -0.000) 0.115 5.363 ( 0.000 2.925 0.000) 2.925 5.533 ( -0.000 -0.081 -0.000) 0.081 5.689 ( -0.000 -3.440 -0.000) 3.440 5.689 ( -0.000 -3.150 0.000) 3.150 5.773 ( -0.000 -4.863 -0.000) 4.863 6.140 ( 0.000 9.662 0.000) 9.662 6.248 ( 0.000 10.065 0.000) 10.065 6.355 ( 0.000 0.323 0.000) 0.323 7.033 ( -0.000 -6.640 -0.000) 6.640 7.382 ( -0.000 -1.970 -0.000) 1.970 ======================= Grid point 20 (14/160) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 13.476 0.000 8.306) 15.830 1.563 ( 15.081 0.000 3.579) 15.500 1.824 ( 0.333 0.000 1.289) 1.332 1.863 ( -3.240 -0.000 6.256) 7.046 2.206 ( -0.065 -0.000 3.469) 3.470 2.252 ( 0.918 0.000 1.758) 1.984 2.426 ( -2.328 -0.000 -1.848) 2.972 2.686 ( 15.136 0.000 -6.202) 16.357 2.797 ( -2.832 -0.000 -4.522) 5.336 2.895 ( -1.041 -0.000 -10.180) 10.233 3.012 ( -13.293 -0.000 9.649) 16.426 3.087 ( -9.258 -0.000 1.329) 9.353 3.195 ( 4.641 0.000 -2.213) 5.142 3.413 ( 2.063 0.000 2.056) 2.913 3.759 ( -1.993 -0.000 0.176) 2.001 3.868 ( 1.722 0.000 -0.976) 1.980 4.150 ( -1.247 -0.000 -2.021) 2.375 4.413 ( -3.044 -0.000 2.714) 4.078 4.464 ( 2.752 0.000 -1.080) 2.956 4.636 ( 7.544 0.000 0.371) 7.553 4.647 ( 2.693 0.000 0.026) 2.693 4.836 ( -0.207 -0.000 -7.049) 7.052 4.891 ( -2.486 -0.000 0.469) 2.530 4.995 ( -0.336 -0.000 -7.412) 7.420 5.106 ( -1.497 -0.000 -1.373) 2.031 5.243 ( 7.382 0.000 1.568) 7.546 5.259 ( -6.056 -0.000 -4.039) 7.279 5.329 ( 0.524 0.000 2.345) 2.402 5.587 ( -4.433 -0.000 -0.181) 4.437 5.656 ( 0.695 0.000 -1.351) 1.519 5.780 ( -1.130 -0.000 1.516) 1.891 5.941 ( -12.472 -0.000 -0.717) 12.493 6.396 ( 1.917 0.000 7.244) 7.494 6.545 ( -0.999 -0.000 -1.457) 1.767 6.577 ( 5.593 0.000 5.769) 8.035 7.343 ( -3.138 -0.000 0.937) 3.275 ======================= Grid point 21 (15/160) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 3.531 8.103 3.102) 9.367 1.727 ( -0.138 8.569 3.637) 9.310 1.806 ( 9.474 -3.343 2.657) 10.392 1.946 ( -0.210 -10.007 8.042) 12.840 2.184 ( -4.196 1.468 0.124) 4.447 2.200 ( -5.024 -1.564 -0.859) 5.332 2.443 ( -0.069 -5.697 0.544) 5.723 2.721 ( -0.086 0.629 -6.659) 6.689 2.763 ( -3.414 5.425 -1.639) 6.616 2.864 ( -6.844 -0.368 4.272) 8.076 2.910 ( 0.711 -4.776 -1.607) 5.089 3.022 ( 0.668 -0.784 -1.836) 2.105 3.285 ( 9.579 0.524 -5.544) 11.080 3.419 ( -2.610 0.307 2.239) 3.453 3.761 ( 5.106 2.236 -3.175) 6.415 3.915 ( 2.856 -0.714 -1.657) 3.379 4.107 ( -0.021 0.708 -2.563) 2.659 4.359 ( -1.906 4.441 1.867) 5.181 4.483 ( 0.644 1.825 -3.314) 3.838 4.632 ( 0.233 4.744 -2.093) 5.190 4.703 ( 2.573 -0.152 -1.279) 2.878 4.783 ( -5.339 2.589 -5.137) 7.848 4.906 ( 2.012 -6.966 -4.149) 8.353 4.993 ( 2.580 -0.608 -2.565) 3.688 5.076 ( -0.905 -0.268 -0.881) 1.291 5.169 ( -3.076 -1.515 1.527) 3.754 5.323 ( 2.006 1.889 0.450) 2.792 5.373 ( 2.575 -3.716 -0.797) 4.591 5.553 ( -0.976 -1.094 3.238) 3.555 5.600 ( -8.148 -1.081 1.490) 8.354 5.779 ( -1.437 -0.093 -0.971) 1.736 5.806 ( -2.855 -3.843 -0.038) 4.788 6.363 ( -3.638 -0.345 -1.599) 3.989 6.645 ( 5.481 2.445 9.070) 10.876 6.695 ( 4.862 -1.330 9.519) 10.771 7.277 ( -3.433 3.259 -0.149) 4.736 ======================= Grid point 22 (16/160) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -4.326 14.881 3.194) 15.823 1.626 ( -4.634 10.517 0.994) 11.536 1.929 ( -0.940 2.698 -0.683) 2.938 2.073 ( -6.646 -6.937 2.691) 9.976 2.114 ( 0.559 -4.590 2.950) 5.485 2.173 ( 1.602 -5.731 -0.082) 5.952 2.478 ( -2.164 -6.531 -1.852) 7.125 2.649 ( -5.534 5.068 4.894) 8.959 2.683 ( 0.077 1.846 -2.538) 3.139 2.843 ( -1.607 -6.285 4.049) 7.647 2.894 ( -3.112 -1.755 -6.047) 7.024 3.098 ( 8.318 -0.644 -1.663) 8.508 3.362 ( -3.915 0.357 0.163) 3.935 3.372 ( 7.591 3.759 -9.740) 12.909 3.811 ( 5.012 3.266 -5.606) 8.199 3.910 ( -1.238 0.862 -1.487) 2.118 4.146 ( 4.830 -1.192 -1.433) 5.177 4.307 ( 0.108 4.351 0.695) 4.407 4.465 ( 2.074 1.369 -0.579) 2.552 4.578 ( -1.846 5.555 -2.810) 6.494 4.617 ( -6.125 -1.332 -5.130) 8.100 4.748 ( 1.058 -2.005 -0.375) 2.298 4.900 ( -2.115 2.309 -3.670) 4.825 4.973 ( -4.578 -4.809 -1.664) 6.845 5.129 ( 4.131 0.388 2.119) 4.659 5.207 ( 1.232 -4.480 1.358) 4.840 5.334 ( 1.097 0.591 0.470) 1.332 5.401 ( -0.988 1.626 1.861) 2.662 5.528 ( -3.725 -6.674 -0.555) 7.664 5.618 ( 3.296 -3.757 1.718) 5.285 5.727 ( -3.059 0.043 -2.453) 3.922 5.872 ( 4.598 -5.734 -0.425) 7.362 6.322 ( -0.309 -0.258 -2.624) 2.655 6.703 ( 0.170 4.467 9.720) 10.699 6.864 ( 5.786 0.212 11.966) 13.293 7.179 ( -3.830 3.807 0.104) 5.401 ======================= Grid point 23 (17/160) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -3.253 18.205 2.138) 18.616 1.378 ( -11.512 14.135 0.131) 18.230 1.824 ( -4.012 4.393 -1.504) 6.136 1.990 ( -6.499 -2.431 -0.151) 6.940 2.138 ( -2.598 -1.538 -0.220) 3.027 2.330 ( 1.430 -8.012 3.454) 8.841 2.475 ( -3.799 -4.060 -2.854) 6.249 2.553 ( -2.823 3.680 5.267) 7.018 2.675 ( 2.246 0.600 -1.031) 2.543 2.815 ( -3.740 -3.487 -5.752) 7.697 2.917 ( 0.382 -4.024 1.517) 4.318 3.200 ( 2.765 2.346 -0.062) 3.627 3.353 ( 4.778 -2.642 -2.906) 6.185 3.390 ( 6.434 1.431 -8.636) 10.864 3.794 ( -2.076 -0.687 -0.773) 2.319 3.911 ( 4.588 1.057 -2.240) 5.214 4.217 ( 1.213 -2.808 -2.739) 4.106 4.264 ( 0.118 4.860 -2.319) 5.386 4.417 ( -3.696 1.320 -1.307) 4.136 4.500 ( -0.833 2.799 -0.505) 2.964 4.602 ( -2.228 -3.021 0.299) 3.766 4.737 ( -3.773 -1.602 0.314) 4.111 4.849 ( 1.696 0.723 -0.357) 1.878 4.942 ( -3.517 -5.382 -5.543) 8.489 5.168 ( -0.277 0.553 2.597) 2.670 5.272 ( 2.044 -1.475 1.700) 3.041 5.375 ( 4.021 -0.671 -0.280) 4.086 5.390 ( 0.689 0.622 1.235) 1.545 5.549 ( -0.213 -2.412 2.410) 3.417 5.645 ( -3.462 0.820 -1.569) 3.888 5.700 ( 0.404 -3.002 0.100) 3.030 6.068 ( 10.779 -9.908 -3.570) 15.070 6.320 ( 1.919 1.131 -2.191) 3.125 6.677 ( -4.128 5.419 8.519) 10.907 6.928 ( 2.254 9.888 1.752) 10.292 7.159 ( -0.942 -4.968 9.369) 10.646 ======================= Grid point 24 (18/160) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -12.858 16.322 -2.731) 20.957 1.138 ( 0.804 22.031 3.894) 22.387 1.716 ( -2.639 6.480 -0.319) 7.004 1.918 ( -5.323 11.038 -0.926) 12.290 1.987 ( -6.300 7.068 -2.604) 9.820 2.319 ( -2.119 -4.360 1.959) 5.229 2.469 ( -2.595 -8.275 -3.051) 9.193 2.637 ( 2.191 -9.228 7.984) 12.397 2.754 ( 6.391 -2.681 -2.115) 7.246 2.777 ( -1.501 -5.796 -7.844) 9.867 2.942 ( -2.372 -2.508 3.541) 4.945 3.196 ( -0.143 1.077 0.344) 1.140 3.406 ( 4.856 1.954 -4.766) 7.079 3.517 ( 6.324 -5.377 -2.892) 8.791 3.759 ( -2.931 0.376 2.181) 3.673 4.007 ( 6.151 -3.376 -1.425) 7.160 4.177 ( -3.956 -2.384 -4.627) 6.538 4.238 ( 1.459 1.717 -0.661) 2.348 4.375 ( -2.633 0.226 1.753) 3.172 4.463 ( -0.209 2.124 -1.445) 2.577 4.547 ( -3.551 1.495 1.534) 4.147 4.704 ( -2.880 -2.763 -0.658) 4.045 4.856 ( -3.372 -0.587 -3.977) 5.247 4.926 ( 1.281 -2.397 -0.796) 2.832 5.172 ( 0.224 0.044 2.104) 2.117 5.292 ( -0.620 1.595 0.716) 1.855 5.417 ( 3.035 2.314 0.037) 3.817 5.455 ( 1.761 -5.116 1.296) 5.564 5.586 ( -0.921 -1.535 -0.873) 1.992 5.594 ( 0.229 -1.210 2.184) 2.507 5.717 ( -0.621 -1.477 -0.283) 1.627 6.295 ( 8.892 -4.879 -3.492) 10.727 6.335 ( 3.848 3.605 -0.660) 5.314 6.559 ( -6.705 7.094 3.282) 10.298 6.876 ( 1.520 4.492 -0.294) 4.751 7.262 ( -0.250 -5.260 8.917) 10.356 ======================= Grid point 25 (19/160) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 0.000 19.455 0.000) 19.455 0.965 ( 0.000 23.116 0.000) 23.116 1.526 ( 0.000 37.431 0.000) 37.431 1.636 ( 0.000 4.867 0.000) 4.867 2.003 ( -0.000 -7.774 -0.000) 7.774 2.387 ( -0.000 -8.148 -0.000) 8.148 2.506 ( -0.000 -6.692 -0.000) 6.692 2.707 ( 0.000 0.222 0.000) 0.222 2.862 ( -0.000 -3.799 -0.000) 3.799 2.880 ( -0.000 -17.745 -0.000) 17.745 2.932 ( -0.000 -2.872 -0.000) 2.872 3.182 ( 0.000 1.520 0.000) 1.520 3.419 ( 0.000 1.558 0.000) 1.558 3.607 ( -0.000 -5.206 -0.000) 5.206 3.730 ( 0.000 1.667 0.000) 1.667 4.099 ( -0.000 -2.914 -0.000) 2.914 4.140 ( -0.000 -2.886 -0.000) 2.886 4.267 ( -0.000 -0.581 -0.000) 0.581 4.344 ( -0.000 -1.521 -0.000) 1.521 4.460 ( 0.000 0.587 0.000) 0.587 4.464 ( 0.000 6.750 0.000) 6.750 4.714 ( -0.000 -1.936 -0.000) 1.936 4.785 ( 0.000 0.908 0.000) 0.908 4.952 ( -0.000 -0.723 -0.000) 0.723 5.192 ( -0.000 -1.559 -0.000) 1.559 5.263 ( 0.000 1.837 0.000) 1.837 5.419 ( 0.000 2.917 0.000) 2.917 5.515 ( -0.000 -3.051 -0.000) 3.051 5.599 ( -0.000 -4.097 -0.000) 4.097 5.633 ( -0.000 -2.900 -0.000) 2.900 5.719 ( -0.000 -1.348 -0.000) 1.348 6.342 ( 0.000 11.671 0.000) 11.671 6.349 ( -0.000 -0.060 -0.000) 0.060 6.434 ( 0.000 5.594 0.000) 5.594 6.899 ( -0.000 -4.962 -0.000) 4.962 7.327 ( -0.000 -3.934 -0.000) 3.934 ======================= Grid point 30 (20/160) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -5.004 -0.000 4.323) 6.613 1.808 ( -1.439 -0.000 3.651) 3.924 1.834 ( -1.163 -0.000 1.804) 2.147 1.980 ( 5.172 0.000 7.984) 9.512 2.081 ( -6.196 -0.000 -3.393) 7.064 2.115 ( -3.121 -0.000 -6.393) 7.114 2.410 ( -1.296 -0.000 3.764) 3.980 2.693 ( -1.875 -0.000 -5.970) 6.258 2.717 ( -3.584 -0.000 -1.227) 3.788 2.765 ( -3.677 -0.000 10.374) 11.006 2.879 ( -1.401 -0.000 -5.454) 5.631 3.091 ( 8.027 0.000 -0.541) 8.045 3.368 ( -4.312 -0.000 1.141) 4.461 3.410 ( 8.795 0.000 -8.941) 12.541 3.858 ( 6.855 0.000 -5.753) 8.949 3.902 ( -2.630 -0.000 -2.762) 3.814 4.135 ( 4.592 0.000 -1.861) 4.955 4.350 ( -1.862 -0.000 -1.127) 2.177 4.493 ( 1.927 0.000 -2.318) 3.015 4.569 ( -5.583 -0.000 -4.881) 7.416 4.682 ( -7.896 -0.000 -4.727) 9.202 4.728 ( 2.172 0.000 -0.603) 2.254 4.887 ( -1.026 -0.000 -2.471) 2.676 5.021 ( -4.162 -0.000 -2.511) 4.860 5.064 ( 6.889 0.000 -0.124) 6.890 5.158 ( 2.408 0.000 4.167) 4.812 5.348 ( 1.513 0.000 -4.380) 4.634 5.382 ( 1.260 0.000 2.977) 3.233 5.446 ( -6.367 -0.000 -0.761) 6.412 5.594 ( 2.499 0.000 4.240) 4.922 5.729 ( -2.412 -0.000 -1.568) 2.877 5.826 ( 3.331 0.000 1.346) 3.592 6.320 ( 0.122 0.000 -2.506) 2.509 6.764 ( -0.043 -0.000 10.650) 10.650 6.836 ( 5.807 0.000 13.686) 14.867 7.228 ( -4.135 -0.000 -0.984) 4.250 ======================= Grid point 32 (21/160) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -6.261 11.705 1.567) 13.367 1.632 ( -8.180 10.855 3.522) 14.041 1.850 ( -5.800 -6.553 2.871) 9.210 1.935 ( -5.618 2.560 -5.403) 8.205 2.075 ( -2.035 -10.239 -6.397) 12.243 2.149 ( 5.440 -0.496 5.124) 7.490 2.437 ( 1.278 -1.841 2.439) 3.313 2.617 ( -3.017 1.845 0.471) 3.567 2.671 ( -2.947 -1.882 2.662) 4.395 2.791 ( -3.772 0.743 1.973) 4.321 2.856 ( 3.644 -1.823 -1.367) 4.298 3.238 ( 8.262 0.670 0.620) 8.312 3.307 ( -1.852 -0.631 -1.354) 2.379 3.451 ( 4.956 2.688 -10.584) 11.992 3.815 ( -4.038 2.005 -1.544) 4.765 3.907 ( 3.204 -0.907 -5.936) 6.806 4.179 ( 0.663 -1.095 -3.432) 3.663 4.306 ( -1.196 -0.068 -4.411) 4.571 4.452 ( -4.284 2.003 -1.793) 5.057 4.527 ( -4.493 0.252 -2.221) 5.018 4.546 ( -1.154 -2.285 0.441) 2.598 4.736 ( -1.679 0.448 -0.478) 1.802 4.833 ( -3.423 -3.222 -0.242) 4.707 4.937 ( 1.379 5.968 -2.591) 6.651 5.192 ( 2.078 -0.205 2.393) 3.176 5.216 ( 2.769 -2.169 2.374) 4.243 5.361 ( 1.808 -0.836 -2.909) 3.526 5.411 ( 3.361 0.435 -3.287) 4.721 5.455 ( 1.680 -5.023 3.117) 6.145 5.656 ( 1.475 -0.458 2.587) 3.013 5.669 ( -3.095 0.207 -1.188) 3.322 5.931 ( 8.256 -3.760 -1.311) 9.166 6.332 ( 2.782 0.274 -2.510) 3.757 6.775 ( -3.444 4.160 10.756) 12.036 7.000 ( 3.741 -1.967 12.077) 12.795 7.139 ( -4.351 2.389 -0.523) 4.991 ======================= Grid point 33 (22/160) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -9.518 15.767 -0.838) 18.436 1.473 ( -2.320 13.135 2.989) 13.669 1.809 ( -1.011 2.523 -3.521) 4.448 1.857 ( -4.834 -6.044 2.223) 8.052 2.087 ( -2.248 -7.061 -3.835) 8.344 2.227 ( 0.755 -2.729 2.064) 3.504 2.477 ( -0.200 8.035 1.342) 8.149 2.580 ( 0.088 1.037 4.056) 4.187 2.672 ( -1.635 -5.046 0.891) 5.378 2.723 ( -1.677 -0.782 -2.792) 3.349 2.907 ( 0.830 -0.364 -0.637) 1.108 3.223 ( -1.300 1.772 -0.889) 2.371 3.424 ( 7.212 -3.504 -0.953) 8.074 3.447 ( 3.656 1.523 -6.328) 7.465 3.753 ( -2.813 -0.587 3.034) 4.179 3.953 ( 3.920 -2.463 -3.966) 6.096 4.138 ( -3.302 -1.760 -4.182) 5.612 4.263 ( -0.545 0.792 -3.833) 3.952 4.371 ( -5.003 -0.141 0.782) 5.065 4.470 ( -1.262 -0.173 -0.212) 1.291 4.534 ( -3.632 -5.706 1.305) 6.889 4.682 ( -2.466 2.264 -1.456) 3.651 4.864 ( 1.055 -0.755 -1.345) 1.869 4.905 ( 2.144 2.768 -0.917) 3.619 5.198 ( 0.759 2.248 1.703) 2.920 5.301 ( 1.900 -1.333 2.723) 3.578 5.370 ( 0.050 -2.360 -1.396) 2.743 5.464 ( 4.335 1.944 -2.197) 5.234 5.529 ( 0.393 -3.945 2.512) 4.694 5.597 ( -2.795 0.581 -1.226) 3.107 5.699 ( 0.630 -0.635 1.071) 1.395 6.141 ( 10.099 -9.165 -3.280) 14.027 6.365 ( 3.056 0.497 -1.690) 3.527 6.694 ( -5.900 7.378 7.450) 12.031 7.011 ( -0.841 6.904 -2.387) 7.353 7.158 ( 0.070 -5.588 9.619) 11.125 ======================= Grid point 34 (23/160) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.000 18.760 0.000) 18.760 1.334 ( 0.000 15.933 0.000) 15.933 1.756 ( 0.000 6.107 0.000) 6.107 1.873 ( -0.000 -5.811 -0.000) 5.811 2.087 ( 0.000 12.222 0.000) 12.222 2.252 ( -0.000 -4.498 -0.000) 4.498 2.354 ( 0.000 0.099 0.000) 0.099 2.634 ( -0.000 -4.785 -0.000) 4.785 2.692 ( -0.000 -2.203 -0.000) 2.203 2.757 ( -0.000 -7.031 -0.000) 7.031 2.912 ( -0.000 -1.115 -0.000) 1.115 3.204 ( 0.000 0.704 0.000) 0.704 3.448 ( 0.000 1.380 0.000) 1.380 3.521 ( -0.000 -4.095 -0.000) 4.095 3.750 ( -0.000 -0.026 -0.000) 0.026 4.012 ( -0.000 -4.318 -0.000) 4.318 4.109 ( -0.000 -1.613 -0.000) 1.613 4.256 ( -0.000 -0.570 -0.000) 0.570 4.316 ( -0.000 -1.164 -0.000) 1.164 4.466 ( 0.000 0.016 0.000) 0.016 4.597 ( 0.000 6.803 0.000) 6.803 4.599 ( -0.000 -9.313 -0.000) 9.313 4.830 ( 0.000 3.640 0.000) 3.640 4.933 ( -0.000 -0.934 -0.000) 0.934 5.194 ( 0.000 1.545 0.000) 1.545 5.305 ( 0.000 2.369 0.000) 2.369 5.417 ( -0.000 -5.942 -0.000) 5.942 5.470 ( 0.000 2.573 0.000) 2.573 5.565 ( -0.000 -0.587 -0.000) 0.587 5.578 ( -0.000 -3.096 -0.000) 3.096 5.707 ( -0.000 -0.180 -0.000) 0.180 6.306 ( -0.000 -6.895 -0.000) 6.895 6.410 ( -0.000 -3.545 -0.000) 3.545 6.559 ( 0.000 11.118 0.000) 11.118 6.933 ( 0.000 6.565 0.000) 6.565 7.239 ( -0.000 -5.423 -0.000) 5.423 ======================= Grid point 41 (24/160) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -9.550 -0.000 -0.180) 9.551 1.605 ( -4.148 -0.000 2.044) 4.624 1.743 ( -4.450 -0.000 4.214) 6.128 1.846 ( -3.564 -0.000 -8.045) 8.799 1.941 ( -1.556 -0.000 -2.952) 3.337 2.328 ( 8.823 0.000 3.529) 9.502 2.435 ( -0.820 -0.000 0.957) 1.260 2.612 ( -0.612 -0.000 3.204) 3.262 2.628 ( -1.392 -0.000 1.497) 2.044 2.734 ( -4.643 -0.000 1.012) 4.752 2.922 ( 3.553 0.000 1.159) 3.737 3.247 ( -2.722 -0.000 -2.437) 3.654 3.386 ( 7.707 0.000 -0.525) 7.725 3.469 ( 2.605 0.000 -7.516) 7.955 3.746 ( -5.073 -0.000 1.872) 5.408 3.925 ( 4.030 0.000 -5.136) 6.529 4.118 ( -2.807 -0.000 -4.228) 5.075 4.265 ( -0.843 -0.000 -3.489) 3.589 4.396 ( -2.789 -0.000 -1.747) 3.291 4.436 ( -8.881 -0.000 1.609) 9.025 4.470 ( -1.168 -0.000 -0.508) 1.274 4.711 ( -1.286 -0.000 -0.491) 1.377 4.849 ( 3.845 0.000 1.132) 4.009 4.960 ( -0.023 -0.000 -1.888) 1.888 5.235 ( 0.926 0.000 0.854) 1.259 5.264 ( 2.560 0.000 4.449) 5.133 5.357 ( 1.334 0.000 -5.282) 5.448 5.476 ( 0.502 0.000 5.504) 5.527 5.485 ( 5.484 0.000 -3.149) 6.323 5.604 ( -3.318 -0.000 -1.709) 3.732 5.692 ( 1.118 0.000 1.531) 1.896 6.043 ( 8.617 0.000 -2.518) 8.978 6.369 ( 2.538 0.000 -1.774) 3.097 6.780 ( -4.721 -0.000 8.045) 9.328 7.078 ( 0.143 0.000 -2.003) 2.008 7.093 ( -1.477 -0.000 8.977) 9.098 ======================= Grid point 43 (25/160) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.000 12.173 0.000) 12.173 1.541 ( 0.000 6.316 0.000) 6.316 1.746 ( -0.000 -5.697 -0.000) 5.697 1.808 ( -0.000 -2.042 -0.000) 2.042 1.957 ( -0.000 -7.922 -0.000) 7.922 2.313 ( 0.000 10.663 0.000) 10.663 2.545 ( -0.000 -12.193 -0.000) 12.193 2.588 ( 0.000 7.642 0.000) 7.642 2.617 ( 0.000 0.936 0.000) 0.936 2.691 ( -0.000 -0.893 -0.000) 0.893 2.933 ( 0.000 3.806 0.000) 3.806 3.210 ( 0.000 0.095 0.000) 0.095 3.463 ( -0.000 -1.778 -0.000) 1.778 3.468 ( 0.000 0.682 0.000) 0.682 3.718 ( -0.000 -2.621 -0.000) 2.621 3.960 ( -0.000 -1.294 -0.000) 1.294 4.084 ( -0.000 -0.843 -0.000) 0.843 4.247 ( -0.000 -0.296 -0.000) 0.296 4.322 ( 0.000 2.446 0.000) 2.446 4.424 ( -0.000 -8.132 -0.000) 8.132 4.464 ( -0.000 -0.124 -0.000) 0.124 4.686 ( 0.000 2.387 0.000) 2.387 4.885 ( 0.000 0.917 0.000) 0.917 4.943 ( 0.000 2.203 0.000) 2.203 5.234 ( 0.000 2.268 0.000) 2.268 5.324 ( -0.000 -3.687 -0.000) 3.687 5.340 ( 0.000 1.192 0.000) 1.192 5.502 ( -0.000 -0.156 -0.000) 0.156 5.530 ( -0.000 -0.721 -0.000) 0.721 5.561 ( -0.000 -0.029 -0.000) 0.029 5.706 ( -0.000 -0.049 -0.000) 0.049 6.146 ( -0.000 -6.281 -0.000) 6.281 6.387 ( -0.000 -0.229 -0.000) 0.229 6.728 ( 0.000 5.928 0.000) 5.928 7.039 ( 0.000 3.378 0.000) 3.378 7.143 ( -0.000 -3.845 -0.000) 3.845 ======================= Grid point 85 (26/160) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 4.971 0.000 21.515) 22.081 0.477 ( 8.748 0.000 21.998) 23.674 0.755 ( 0.930 0.000 34.739) 34.751 1.582 ( -0.786 -0.000 -0.077) 0.790 2.197 ( -4.282 -0.000 -0.697) 4.338 2.566 ( -0.909 -0.000 -1.681) 1.910 2.618 ( -3.941 -0.000 -4.174) 5.740 2.661 ( -0.771 -0.000 1.370) 1.572 2.757 ( 7.883 0.000 4.702) 9.179 2.898 ( -5.601 -0.000 0.096) 5.601 3.125 ( 1.576 0.000 -1.868) 2.444 3.264 ( -5.629 -0.000 -8.100) 9.864 3.434 ( 3.714 0.000 -5.359) 6.520 3.590 ( -4.476 -0.000 -4.876) 6.619 4.025 ( 10.523 0.000 -0.994) 10.570 4.047 ( -10.945 -0.000 8.612) 13.927 4.194 ( -4.418 -0.000 -2.312) 4.986 4.325 ( 3.107 0.000 3.414) 4.616 4.328 ( 12.345 0.000 0.110) 12.346 4.381 ( -2.555 -0.000 0.952) 2.727 4.441 ( 3.173 0.000 1.887) 3.691 4.494 ( 2.155 0.000 3.652) 4.240 4.833 ( 1.348 0.000 -2.737) 3.050 4.906 ( -0.715 -0.000 2.460) 2.562 4.968 ( -0.509 -0.000 -6.618) 6.638 5.305 ( -5.642 -0.000 -1.952) 5.970 5.311 ( -0.411 -0.000 3.442) 3.467 5.389 ( 1.595 0.000 -8.805) 8.948 5.592 ( 0.618 0.000 2.131) 2.219 5.749 ( 2.707 0.000 2.447) 3.649 5.843 ( -0.860 -0.000 -0.558) 1.025 5.963 ( 4.430 0.000 -3.921) 5.916 6.108 ( 1.926 0.000 3.273) 3.798 6.132 ( 0.093 0.000 -0.494) 0.503 6.781 ( -4.251 -0.000 4.142) 5.935 7.644 ( 0.897 0.000 -0.414) 0.988 ======================= Grid point 86 (27/160) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 16.445 4.533 18.418) 25.104 0.829 ( 14.688 -3.280 18.040) 23.493 1.192 ( 18.701 -17.569 21.032) 33.177 1.588 ( 1.268 -0.924 -0.468) 1.637 2.113 ( -3.479 1.813 -1.600) 4.237 2.513 ( -3.581 -0.632 -2.591) 4.465 2.567 ( -3.096 3.962 -3.421) 6.081 2.632 ( -6.622 -4.010 1.066) 7.815 2.837 ( -0.933 -0.818 -3.656) 3.861 2.909 ( 7.556 1.956 2.271) 8.129 3.068 ( -5.392 2.637 -5.435) 8.097 3.204 ( 4.101 0.673 -4.215) 5.919 3.456 ( 1.914 1.386 -0.261) 2.378 3.520 ( -4.172 -5.362 -4.835) 8.339 3.983 ( -1.660 8.511 7.715) 11.607 4.107 ( 0.209 4.085 0.104) 4.091 4.130 ( -4.873 -3.886 1.349) 6.378 4.353 ( 2.042 0.109 2.787) 3.457 4.370 ( 3.263 0.012 1.073) 3.435 4.402 ( 0.454 0.461 1.889) 1.996 4.579 ( 3.372 -2.479 1.308) 4.385 4.768 ( 5.486 -2.931 -3.347) 7.063 4.824 ( 8.265 1.016 -1.575) 8.475 4.938 ( 0.519 -1.369 2.723) 3.091 5.015 ( 2.798 -6.207 -8.586) 10.957 5.200 ( -5.118 -2.128 -4.293) 7.011 5.320 ( -0.003 1.248 3.016) 3.264 5.417 ( 2.699 -3.405 -10.663) 11.514 5.575 ( -2.433 1.100 -2.406) 3.594 5.738 ( -2.034 4.436 -0.259) 4.887 5.833 ( 0.545 1.540 1.681) 2.344 6.018 ( 3.457 -5.481 -2.546) 6.963 6.205 ( 5.905 -3.419 -0.645) 6.854 6.260 ( 8.835 -4.083 -4.540) 10.740 6.789 ( -0.403 -1.370 1.308) 1.936 7.515 ( -7.635 8.552 0.842) 11.495 ======================= Grid point 87 (28/160) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 14.466 4.466 16.409) 22.326 1.183 ( 14.268 -3.377 9.311) 17.369 1.640 ( 4.853 -3.236 0.586) 5.862 1.759 ( 19.504 -14.450 5.686) 24.930 2.048 ( -1.296 1.740 -1.551) 2.667 2.431 ( -3.434 6.879 -4.101) 8.714 2.477 ( -5.134 -8.304 2.324) 10.036 2.545 ( -5.538 0.630 -0.779) 5.628 2.810 ( -1.094 0.821 -4.521) 4.724 2.906 ( -3.498 -0.697 -5.314) 6.400 3.011 ( 3.635 3.313 0.796) 4.982 3.250 ( 3.605 2.238 -0.010) 4.243 3.452 ( -3.059 -1.088 2.806) 4.291 3.481 ( -5.534 -4.280 -1.878) 7.243 3.893 ( -4.123 4.626 3.450) 7.092 4.007 ( -4.215 6.364 0.330) 7.640 4.109 ( -2.819 -0.946 2.821) 4.099 4.345 ( -0.678 4.177 0.111) 4.233 4.423 ( 2.373 1.593 1.050) 3.045 4.474 ( 3.994 -2.465 3.445) 5.822 4.650 ( 1.443 -5.071 0.209) 5.276 4.779 ( 0.294 1.284 -3.713) 3.940 4.931 ( 2.610 2.231 -1.316) 3.677 4.963 ( 0.910 -4.800 -1.172) 5.024 5.083 ( 3.184 -3.998 -2.715) 5.787 5.158 ( -1.222 -5.008 -2.147) 5.584 5.316 ( -0.072 2.456 0.868) 2.606 5.364 ( -5.571 -0.409 -6.274) 8.400 5.530 ( 1.653 1.984 -2.942) 3.915 5.675 ( -0.719 1.679 0.233) 1.842 5.823 ( -0.846 1.273 0.722) 1.691 6.145 ( 4.940 -6.152 -1.285) 7.994 6.308 ( 5.093 0.156 -0.790) 5.157 6.406 ( 5.492 -5.592 2.772) 8.314 6.746 ( -5.730 1.113 -0.477) 5.856 7.311 ( -4.278 11.277 -3.920) 12.682 ======================= Grid point 88 (29/160) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 14.442 3.523 10.738) 18.338 1.416 ( 7.277 -2.194 2.130) 7.894 1.752 ( 2.838 -2.322 -0.042) 3.667 2.035 ( 4.590 0.741 -2.135) 5.116 2.146 ( 11.202 -10.321 -0.141) 15.232 2.292 ( -1.594 6.692 -7.547) 10.212 2.403 ( -5.977 0.607 -1.706) 6.245 2.581 ( 2.488 -4.381 5.253) 7.278 2.739 ( -2.866 -0.665 -4.701) 5.546 2.864 ( -3.110 -4.338 -2.758) 6.008 3.045 ( 3.821 3.184 -1.549) 5.209 3.246 ( -3.095 3.420 2.340) 5.172 3.385 ( -5.469 -2.524 -1.146) 6.131 3.431 ( -4.950 -0.907 7.888) 9.357 3.811 ( -4.969 1.397 2.421) 5.701 3.918 ( -2.162 0.860 0.825) 2.468 4.094 ( -0.923 -0.373 2.272) 2.480 4.284 ( -1.460 5.681 1.597) 6.079 4.421 ( -0.711 1.587 -2.890) 3.373 4.553 ( 0.921 -1.750 0.777) 2.124 4.696 ( -0.212 -2.671 1.289) 2.974 4.775 ( 3.129 -0.247 -3.299) 4.553 4.906 ( -0.522 1.677 -1.324) 2.200 5.002 ( -0.359 -4.604 -5.124) 6.898 5.139 ( 1.254 -3.651 -1.255) 4.060 5.217 ( -4.750 0.405 -4.643) 6.655 5.231 ( 3.230 -1.796 2.940) 4.723 5.307 ( 0.289 0.938 -0.511) 1.107 5.533 ( 3.018 3.817 -0.526) 4.894 5.703 ( 1.642 -3.820 0.886) 4.251 5.798 ( -0.842 1.340 -0.030) 1.583 6.175 ( -6.065 -2.857 -0.391) 6.716 6.431 ( 9.400 1.953 4.474) 10.592 6.553 ( 4.419 -3.636 2.891) 6.411 6.602 ( -8.342 2.402 0.994) 8.737 7.146 ( 0.764 9.732 -8.682) 13.064 ======================= Grid point 89 (30/160) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.007 -0.319 -3.580) 3.594 1.563 ( 9.376 3.655 5.257) 11.354 1.716 ( -4.586 1.102 0.995) 4.821 2.119 ( 4.902 2.206 -2.076) 5.762 2.151 ( -0.414 6.098 -8.633) 10.578 2.303 ( -0.289 -3.277 -1.866) 3.782 2.447 ( 13.142 -2.715 -2.726) 13.694 2.642 ( -0.781 -1.954 1.085) 2.367 2.692 ( -1.903 -1.244 -3.126) 3.866 2.850 ( -2.896 -5.501 -0.683) 6.254 3.030 ( 1.052 2.592 -6.825) 7.376 3.136 ( -6.564 1.284 3.051) 7.352 3.331 ( -8.970 -1.562 6.788) 11.357 3.432 ( 0.773 0.860 4.032) 4.195 3.721 ( -6.526 0.528 2.174) 6.898 3.911 ( -1.269 -2.494 0.325) 2.817 4.115 ( 0.821 -1.683 1.690) 2.522 4.223 ( -1.083 5.148 2.342) 5.758 4.395 ( 1.492 -1.892 -0.102) 2.412 4.549 ( -2.227 -1.871 -1.579) 3.309 4.717 ( -2.805 0.546 -2.924) 4.088 4.781 ( 1.075 -2.653 -0.753) 2.959 4.925 ( 2.794 0.615 0.883) 2.994 4.999 ( 0.217 -4.288 -3.522) 5.554 5.121 ( -2.522 -0.725 -3.541) 4.408 5.194 ( 0.239 -0.217 0.494) 0.590 5.297 ( 3.240 -0.851 1.633) 3.727 5.360 ( 5.521 -1.296 -1.042) 5.766 5.556 ( 2.645 2.004 1.685) 3.722 5.746 ( -0.907 1.540 -2.244) 2.869 5.774 ( -0.788 -1.162 1.068) 1.764 6.062 ( -8.878 -2.481 2.289) 9.498 6.460 ( -7.105 -0.976 -0.087) 7.172 6.548 ( 7.639 7.878 1.009) 11.020 6.662 ( 4.257 2.995 5.502) 7.574 7.085 ( 4.594 2.158 -6.976) 8.627 ======================= Grid point 90 (31/160) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -12.375 5.440 -3.856) 14.057 1.493 ( -8.519 3.605 -0.539) 9.266 1.791 ( 7.393 1.606 1.758) 7.767 2.028 ( 0.248 7.435 -6.397) 9.812 2.127 ( 1.239 2.584 -5.874) 6.535 2.369 ( 4.998 -2.059 2.430) 5.927 2.562 ( -0.501 8.952 -5.497) 10.517 2.660 ( 4.667 -3.259 -8.910) 10.573 2.720 ( 1.872 -7.275 7.224) 10.422 2.843 ( -2.954 -3.677 -0.002) 4.717 2.987 ( -2.283 -3.860 -5.675) 7.233 3.088 ( -2.603 -1.537 0.763) 3.118 3.186 ( -7.660 0.771 3.306) 8.378 3.435 ( -2.069 1.860 3.715) 4.642 3.682 ( 0.952 -0.772 2.483) 2.769 3.902 ( -2.334 -2.137 -0.394) 3.189 4.142 ( -1.774 0.716 0.448) 1.965 4.208 ( 3.580 -0.256 3.320) 4.889 4.463 ( -0.423 -2.005 -2.225) 3.025 4.513 ( -2.615 -1.388 -0.103) 2.962 4.667 ( 0.275 -1.426 -0.090) 1.455 4.784 ( -2.207 -1.755 -4.942) 5.690 4.957 ( -0.086 -1.971 2.835) 3.453 5.050 ( -1.638 -2.739 -3.856) 5.005 5.103 ( 5.583 -1.514 -0.836) 5.845 5.224 ( 2.039 -1.789 2.631) 3.779 5.349 ( 1.981 2.838 3.329) 4.803 5.439 ( 0.233 0.497 0.856) 1.017 5.591 ( 1.829 -0.286 1.361) 2.298 5.660 ( -1.484 2.064 -2.825) 3.801 5.762 ( -1.625 0.124 -1.220) 2.035 6.041 ( 0.085 -6.132 0.866) 6.193 6.381 ( -5.044 -2.293 0.032) 5.540 6.535 ( 5.263 14.066 -4.938) 15.809 6.712 ( 1.587 3.451 9.293) 10.039 7.158 ( 6.694 -1.822 -3.786) 7.903 ======================= Grid point 91 (32/160) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -15.196 9.188 -1.132) 17.793 1.263 ( -13.446 6.259 -1.896) 14.952 1.825 ( -3.527 3.046 1.116) 4.792 1.944 ( -0.546 4.583 -2.648) 5.321 2.067 ( -6.253 6.550 -3.970) 9.888 2.357 ( -2.236 6.015 -3.352) 7.240 2.488 ( 5.788 0.250 2.245) 6.213 2.686 ( -8.088 -1.500 5.342) 9.808 2.772 ( 11.027 -1.614 -6.981) 13.150 2.964 ( -3.734 -7.191 -4.089) 9.076 2.987 ( 7.037 -10.243 0.230) 12.429 3.051 ( -2.349 -2.735 -1.078) 3.763 3.228 ( 6.950 -2.964 -0.159) 7.557 3.391 ( -3.468 0.713 2.667) 4.432 3.733 ( 3.671 3.153 1.062) 4.954 3.885 ( -1.108 -1.915 -1.016) 2.434 4.126 ( 0.687 0.664 2.504) 2.680 4.287 ( 0.614 -3.360 -1.600) 3.772 4.414 ( -2.192 -0.186 -2.156) 3.080 4.473 ( -3.045 0.189 1.693) 3.489 4.681 ( -2.705 -0.723 -2.519) 3.766 4.727 ( 0.268 1.395 -3.313) 3.605 4.966 ( -1.352 0.394 -1.905) 2.369 5.061 ( -1.336 -7.475 2.593) 8.024 5.212 ( 4.078 -0.404 0.027) 4.098 5.289 ( -4.344 5.069 0.020) 6.675 5.302 ( 2.211 -2.506 3.347) 4.730 5.439 ( 2.889 0.459 3.717) 4.730 5.644 ( 2.166 -1.033 1.682) 2.930 5.653 ( -0.535 -1.632 -0.757) 1.877 5.739 ( 0.858 -0.960 -2.298) 2.635 6.121 ( 1.652 -4.712 -4.043) 6.425 6.326 ( -4.647 -1.515 1.465) 5.103 6.440 ( 2.112 12.991 -1.769) 13.280 6.777 ( 3.660 0.025 7.308) 8.173 7.253 ( 6.743 0.983 -4.495) 8.164 ======================= Grid point 92 (33/160) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -13.221 11.501 4.617) 18.121 0.929 ( -17.009 11.216 0.747) 20.388 1.509 ( -30.100 16.844 0.868) 34.504 1.699 ( -6.134 2.859 0.681) 6.802 2.093 ( 6.739 -4.805 1.380) 8.391 2.438 ( 7.327 -2.962 0.900) 7.954 2.564 ( 4.256 1.616 -0.580) 4.589 2.607 ( -4.072 0.835 2.211) 4.708 2.915 ( -2.304 -4.685 -4.844) 7.122 2.975 ( 8.868 -1.939 -2.566) 9.433 3.044 ( 0.437 -1.896 -1.146) 2.258 3.172 ( 2.959 -7.149 -1.620) 7.905 3.325 ( -2.578 -4.210 5.205) 7.173 3.453 ( 12.781 -5.853 -5.093) 14.951 3.750 ( 1.478 2.838 1.829) 3.685 3.876 ( 2.420 3.503 -5.280) 6.783 4.175 ( 3.075 -0.152 3.709) 4.820 4.275 ( -2.476 -3.735 -2.294) 5.035 4.359 ( -2.285 1.810 -1.649) 3.349 4.468 ( -1.688 -1.001 3.391) 3.918 4.588 ( -4.590 1.355 -3.459) 5.905 4.740 ( 2.208 -0.171 0.178) 2.221 4.912 ( -2.644 -0.518 -4.238) 5.022 5.046 ( -7.364 0.115 0.655) 7.394 5.212 ( 1.268 -1.461 -0.950) 2.155 5.278 ( -0.066 -0.942 1.985) 2.198 5.367 ( 1.402 0.177 3.998) 4.240 5.497 ( 2.008 -0.590 -1.235) 2.430 5.660 ( 0.993 -1.568 -0.192) 1.866 5.704 ( 1.834 -2.116 2.866) 4.006 5.779 ( 1.155 -3.755 -0.298) 3.939 6.078 ( -1.924 4.061 -10.106) 11.060 6.256 ( -6.406 -0.284 1.628) 6.616 6.365 ( -1.299 6.396 2.156) 6.873 6.914 ( 5.860 -3.719 2.777) 7.476 7.307 ( 7.425 4.742 -4.797) 10.031 ======================= Grid point 93 (34/160) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -6.843 13.267 13.919) 20.410 0.560 ( -14.481 14.980 10.721) 23.432 0.895 ( -29.656 11.443 16.469) 35.800 1.613 ( -2.962 0.663 0.242) 3.045 2.227 ( -0.100 -4.816 2.257) 5.319 2.545 ( 2.769 -2.966 -1.822) 4.448 2.603 ( 3.573 0.327 2.277) 4.249 2.612 ( 5.082 2.432 -1.189) 5.758 2.839 ( -7.071 -1.989 -4.245) 8.484 2.995 ( -4.350 0.686 0.608) 4.445 3.130 ( -0.093 1.111 0.484) 1.216 3.213 ( 9.928 -0.250 -4.969) 11.105 3.414 ( 0.648 -9.416 -4.822) 10.599 3.682 ( -0.376 -0.463 1.707) 1.808 3.768 ( 10.552 -7.627 -3.396) 13.456 3.904 ( 9.846 4.821 -0.189) 10.964 4.251 ( 1.612 -1.366 2.311) 3.131 4.267 ( 1.252 1.536 0.183) 1.990 4.305 ( -2.204 0.506 -0.805) 2.401 4.451 ( -3.408 -2.092 2.050) 4.494 4.500 ( -2.750 1.885 0.743) 3.416 4.756 ( -5.849 -5.276 -3.701) 8.703 4.858 ( -2.221 -0.839 -4.431) 5.027 4.919 ( -5.704 0.065 -1.160) 5.821 5.198 ( -4.113 1.983 -7.852) 9.083 5.294 ( -0.959 -2.355 2.281) 3.416 5.373 ( -2.082 1.325 2.038) 3.201 5.509 ( 0.012 0.399 -3.705) 3.726 5.688 ( -2.341 0.625 -2.456) 3.450 5.707 ( -3.887 4.626 -3.172) 6.825 5.819 ( 0.247 -5.061 -1.234) 5.215 5.937 ( 2.230 7.231 -7.343) 10.544 6.162 ( -5.666 0.456 1.856) 5.980 6.248 ( -6.778 6.684 -1.508) 9.638 6.922 ( -5.179 3.738 -7.521) 9.867 7.449 ( 13.120 -1.986 4.862) 14.132 ======================= Grid point 95 (35/160) ======================= q-point: ( 0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 14.076 0.000 12.592) 18.886 1.150 ( 14.490 0.000 14.235) 20.312 1.575 ( 25.136 0.000 12.223) 27.950 1.628 ( 5.376 0.000 -0.960) 5.461 2.070 ( -1.336 -0.000 -0.412) 1.398 2.380 ( -7.869 -0.000 0.038) 7.869 2.521 ( -3.349 -0.000 -3.593) 4.912 2.528 ( -5.096 -0.000 -1.493) 5.310 2.797 ( -0.107 -0.000 -5.126) 5.127 2.919 ( -5.955 -0.000 -8.074) 10.033 3.051 ( 3.555 0.000 -0.769) 3.637 3.281 ( 5.924 0.000 0.309) 5.932 3.389 ( -5.845 -0.000 -2.866) 6.510 3.465 ( -3.144 -0.000 4.641) 5.606 3.978 ( -7.102 -0.000 1.431) 7.245 4.005 ( -7.290 -0.000 6.764) 9.945 4.158 ( 0.049 0.000 -0.779) 0.781 4.375 ( 1.374 0.000 -0.413) 1.435 4.426 ( 5.001 0.000 2.280) 5.497 4.471 ( 2.108 0.000 3.684) 4.244 4.588 ( 0.429 0.000 -2.089) 2.132 4.787 ( 0.251 0.000 -6.209) 6.214 4.873 ( 2.497 0.000 -1.948) 3.167 4.989 ( 1.315 0.000 2.973) 3.251 5.031 ( 4.691 0.000 -4.762) 6.685 5.107 ( -0.817 -0.000 -0.553) 0.987 5.339 ( 0.176 0.000 0.906) 0.923 5.366 ( -2.136 -0.000 -8.583) 8.845 5.545 ( 0.907 0.000 -2.705) 2.854 5.708 ( -3.558 -0.000 -1.343) 3.803 5.833 ( -1.551 -0.000 0.384) 1.597 6.066 ( 5.402 0.000 -0.563) 5.431 6.324 ( 4.189 0.000 0.421) 4.210 6.344 ( 10.484 0.000 2.501) 10.778 6.754 ( -5.223 -0.000 0.345) 5.234 7.427 ( -6.399 -0.000 -2.848) 7.004 ======================= Grid point 96 (36/160) ======================= q-point: ( 0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 11.233 1.735 8.255) 14.048 1.405 ( 11.367 0.685 6.235) 12.983 1.744 ( 8.012 1.171 0.428) 8.109 1.968 ( 9.249 -6.632 3.830) 12.008 2.086 ( 7.707 3.888 -2.195) 8.907 2.318 ( -5.009 -5.927 1.818) 7.970 2.408 ( -2.375 4.638 -5.437) 7.530 2.505 ( 1.468 -4.278 1.048) 4.643 2.751 ( -3.337 1.919 -6.326) 7.406 2.795 ( -2.693 -2.881 -5.028) 6.390 3.081 ( 2.705 1.090 -2.743) 4.003 3.272 ( -8.086 -0.964 -0.101) 8.144 3.357 ( -1.294 0.205 3.926) 4.139 3.423 ( -3.510 -0.087 6.217) 7.140 3.865 ( -5.359 3.518 2.618) 6.925 3.918 ( -7.045 -1.586 2.248) 7.563 4.119 ( -1.182 2.389 -1.530) 3.073 4.387 ( 1.466 3.583 -0.169) 3.875 4.467 ( -0.905 2.776 -0.427) 2.951 4.532 ( 4.474 -0.381 1.217) 4.653 4.625 ( 1.821 -3.955 -0.587) 4.394 4.743 ( -0.125 -1.997 -6.267) 6.579 4.899 ( 0.421 -4.455 -5.980) 7.469 4.944 ( -3.219 1.270 -1.019) 3.607 5.081 ( 2.101 -1.560 -1.186) 2.873 5.199 ( 5.944 -1.055 5.269) 8.013 5.257 ( -4.287 2.540 -5.226) 7.221 5.336 ( -0.091 1.113 -0.377) 1.179 5.573 ( 3.300 0.589 -1.753) 3.783 5.650 ( -2.320 -1.620 -0.241) 2.840 5.807 ( -1.297 -0.020 -0.254) 1.322 6.102 ( -4.364 -3.185 -0.689) 5.447 6.446 ( 8.758 -0.084 7.987) 11.853 6.530 ( 8.896 0.634 4.248) 9.878 6.625 ( -9.109 0.163 0.364) 9.118 7.300 ( -2.536 5.076 -7.247) 9.204 ======================= Grid point 97 (37/160) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 5.191 3.679 -1.426) 6.520 1.632 ( 12.433 1.946 4.392) 13.329 1.774 ( -1.452 5.181 2.633) 5.990 2.108 ( 4.289 -3.856 0.722) 5.813 2.185 ( 1.863 -4.493 -2.672) 5.549 2.245 ( -5.211 0.926 -3.770) 6.498 2.391 ( 7.125 -0.610 -1.309) 7.270 2.613 ( 0.138 -6.304 -6.843) 9.305 2.673 ( 2.966 3.639 0.377) 4.710 2.778 ( -0.716 -2.589 -3.655) 4.536 3.077 ( -1.619 2.051 -7.004) 7.476 3.146 ( -6.151 -0.730 1.440) 6.360 3.290 ( -10.170 -2.026 12.307) 16.093 3.456 ( 3.239 1.484 3.133) 4.744 3.752 ( -6.463 2.312 2.173) 7.200 3.880 ( -0.619 -1.270 -0.065) 1.414 4.088 ( -0.935 -0.930 0.149) 1.327 4.345 ( -0.575 7.060 0.609) 7.110 4.408 ( -0.576 2.209 -3.458) 4.144 4.550 ( 0.326 2.909 -1.319) 3.211 4.678 ( 1.419 -3.787 -0.150) 4.047 4.752 ( -1.826 -1.619 -5.906) 6.390 4.904 ( -1.871 -5.025 -5.974) 8.027 4.929 ( 3.669 -2.325 0.761) 4.410 5.103 ( -2.217 -1.134 -0.439) 2.528 5.177 ( 1.473 0.924 -1.190) 2.107 5.303 ( 2.240 0.706 2.239) 3.245 5.337 ( 3.082 -0.899 -0.214) 3.218 5.589 ( 0.866 1.126 0.410) 1.478 5.685 ( 1.147 -4.723 0.627) 4.900 5.789 ( -0.981 0.668 -0.325) 1.231 5.985 ( -12.609 -4.257 0.096) 13.308 6.452 ( -8.316 0.234 -0.025) 8.320 6.646 ( 9.025 3.011 8.605) 12.829 6.709 ( 8.838 1.363 6.908) 11.300 7.181 ( 0.302 6.277 -9.064) 11.029 ======================= Grid point 98 (38/160) ======================= q-point: (-0.56 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -2.908 8.380 -2.830) 9.310 1.626 ( -5.374 10.220 2.907) 11.907 1.828 ( 7.769 1.850 -0.593) 8.008 2.133 ( -1.837 2.704 -7.006) 7.731 2.149 ( -0.517 -0.071 -3.877) 3.912 2.267 ( 2.239 -8.125 3.286) 9.046 2.544 ( 2.331 -7.013 1.570) 7.555 2.595 ( -0.679 -4.569 -6.954) 8.349 2.718 ( 6.401 4.758 -1.157) 8.059 2.781 ( 0.050 -2.417 -2.162) 3.243 2.971 ( -1.734 1.595 -5.786) 6.248 3.071 ( -4.847 -0.118 1.071) 4.965 3.212 ( -7.635 1.261 5.779) 9.658 3.475 ( -3.411 2.251 4.667) 6.203 3.675 ( 0.421 0.415 -0.456) 0.747 3.885 ( -0.350 -0.351 -1.271) 1.364 4.108 ( 1.097 -2.312 1.132) 2.798 4.282 ( -0.572 5.160 0.915) 5.271 4.421 ( 3.244 -1.726 -0.263) 3.683 4.515 ( -0.349 2.738 -0.571) 2.819 4.647 ( -3.946 -0.536 -3.050) 5.016 4.736 ( -0.038 -3.267 -3.019) 4.449 4.891 ( -1.830 -5.154 -3.822) 6.672 5.029 ( 1.451 0.413 1.839) 2.379 5.075 ( 2.509 -1.920 -2.522) 4.042 5.206 ( 0.821 -0.512 1.539) 1.818 5.363 ( 3.441 -0.744 2.620) 4.388 5.410 ( 2.520 -3.061 -0.690) 4.025 5.602 ( 1.319 1.001 1.947) 2.556 5.696 ( -7.478 1.331 -3.581) 8.397 5.731 ( -1.974 -3.529 1.359) 4.266 5.891 ( -2.896 -7.410 -0.563) 7.975 6.347 ( -5.044 -0.884 -0.386) 5.135 6.756 ( 5.927 6.609 5.499) 10.442 6.830 ( 4.760 9.157 5.233) 11.571 7.135 ( 3.925 -0.040 -3.921) 5.549 ======================= Grid point 99 (39/160) ======================= q-point: (-0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -7.267 14.795 0.324) 16.486 1.423 ( -8.633 11.753 1.197) 14.632 1.860 ( -1.105 0.790 -0.432) 1.426 2.023 ( -3.672 4.367 -4.586) 7.320 2.134 ( 1.393 -0.212 -4.509) 4.724 2.419 ( 3.064 -3.244 3.437) 5.632 2.524 ( -4.559 1.331 -1.951) 5.134 2.619 ( 0.268 -10.491 -6.724) 12.464 2.732 ( -6.061 6.433 10.081) 13.407 2.809 ( 0.066 -5.496 -4.648) 7.198 2.930 ( 5.681 0.240 -7.902) 9.735 3.020 ( 0.723 0.961 -0.494) 1.300 3.181 ( 4.406 -1.822 -1.189) 4.914 3.397 ( -5.970 0.212 4.281) 7.350 3.756 ( 6.220 -2.690 1.002) 6.850 3.856 ( -1.790 0.848 -0.912) 2.181 4.158 ( 2.359 0.679 0.315) 2.475 4.239 ( -1.526 -0.013 -1.185) 1.932 4.425 ( -0.158 1.314 -0.863) 1.580 4.491 ( -2.394 1.606 -0.005) 2.882 4.650 ( 0.382 -2.636 0.677) 2.748 4.736 ( 0.834 -0.449 -2.850) 3.003 4.909 ( -1.696 -7.674 0.052) 7.859 4.974 ( -3.789 0.197 -2.539) 4.565 5.193 ( 6.912 -1.701 0.573) 7.141 5.242 ( -0.358 -2.054 2.964) 3.624 5.377 ( -4.367 3.136 -1.448) 5.568 5.423 ( 0.180 -2.638 2.833) 3.876 5.611 ( -1.182 -2.403 -0.048) 2.679 5.645 ( 2.698 0.611 -0.297) 2.783 5.720 ( -1.652 -1.737 -0.807) 2.530 5.981 ( 4.213 -9.027 -2.417) 10.251 6.294 ( -2.675 -1.114 -0.526) 2.945 6.731 ( 1.724 15.916 -3.989) 16.499 6.813 ( 0.671 3.854 7.985) 8.892 7.241 ( 6.351 -2.210 1.238) 6.838 ======================= Grid point 100 (40/160) ======================= q-point: (-0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -6.264 17.742 2.516) 18.983 1.144 ( -12.072 14.352 4.788) 19.356 1.771 ( -7.500 4.485 2.269) 9.028 1.887 ( -13.873 17.525 -1.958) 22.437 2.014 ( -1.112 -0.908 -2.740) 3.093 2.383 ( 2.998 -1.352 -0.864) 3.400 2.533 ( -1.339 -3.727 -0.777) 4.036 2.666 ( 0.641 3.443 5.844) 6.813 2.757 ( -0.035 -12.406 -6.873) 14.183 2.835 ( 0.741 -11.423 3.682) 12.025 3.017 ( 1.888 -2.208 -1.021) 3.079 3.078 ( 11.611 1.468 -8.605) 14.526 3.286 ( -2.395 -2.359 4.632) 5.723 3.369 ( 6.580 -2.568 -3.731) 7.988 3.805 ( -2.206 2.103 -0.385) 3.072 3.890 ( 6.639 -1.740 -0.896) 6.921 4.189 ( 1.926 1.246 1.657) 2.830 4.204 ( -1.772 -3.068 -2.334) 4.243 4.410 ( -1.304 3.484 -2.342) 4.396 4.449 ( -0.939 -0.847 3.520) 3.741 4.626 ( -2.394 2.591 0.607) 3.580 4.732 ( -1.159 -0.615 -0.954) 1.622 4.890 ( -4.545 -3.057 -6.058) 8.167 4.969 ( -2.555 -5.711 2.703) 6.816 5.214 ( -2.498 0.406 0.146) 2.535 5.276 ( 0.282 0.361 -0.553) 0.718 5.349 ( 3.744 -0.763 0.002) 3.821 5.479 ( 1.664 -2.609 0.948) 3.236 5.623 ( -0.359 -1.950 1.432) 2.445 5.662 ( -0.746 -1.657 2.250) 2.892 5.732 ( 1.051 -1.656 -0.566) 2.041 6.104 ( 5.649 -2.134 -6.608) 8.951 6.268 ( -0.872 0.707 -0.041) 1.123 6.558 ( -3.428 13.486 -1.271) 13.973 6.854 ( 2.472 -1.335 3.949) 4.846 7.349 ( 4.588 -0.376 -0.257) 4.610 ======================= Grid point 101 (41/160) ======================= q-point: (-0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -8.486 14.458 7.463) 18.351 0.870 ( -6.905 19.310 10.925) 23.236 1.335 ( -16.650 31.032 5.141) 35.590 1.650 ( -4.060 3.841 1.241) 5.725 2.097 ( 0.671 -8.043 1.563) 8.221 2.471 ( 1.744 -4.974 0.407) 5.286 2.549 ( 0.101 -4.491 0.236) 4.499 2.683 ( 1.649 2.159 -2.430) 3.645 2.766 ( -0.678 -4.853 -1.524) 5.132 3.024 ( -1.235 1.033 -0.375) 1.653 3.058 ( 4.774 -12.785 1.459) 13.726 3.219 ( -4.782 -0.399 0.248) 4.805 3.225 ( 9.681 -2.856 -6.111) 11.799 3.565 ( 9.913 -7.582 -1.078) 12.527 3.742 ( -2.904 1.572 -1.772) 3.748 3.975 ( 6.191 1.785 -4.047) 7.609 4.195 ( -0.275 -3.985 1.856) 4.405 4.269 ( 2.820 -0.685 2.593) 3.892 4.357 ( 1.838 4.751 -1.194) 5.233 4.426 ( -4.223 -0.538 1.237) 4.434 4.549 ( -4.970 2.559 2.259) 6.029 4.714 ( -2.399 -0.404 -1.760) 3.003 4.801 ( -4.453 -2.674 -3.760) 6.412 4.961 ( -0.690 1.351 0.377) 1.563 5.202 ( -1.155 -0.802 -2.137) 2.559 5.252 ( -0.841 -1.166 -0.213) 1.453 5.397 ( 0.406 0.853 0.520) 1.079 5.510 ( 0.781 -0.543 -1.680) 1.930 5.663 ( 0.800 -2.457 2.286) 3.450 5.686 ( -1.203 -4.378 0.300) 4.550 5.760 ( -0.501 -2.088 1.565) 2.657 6.117 ( 6.906 8.589 -11.057) 15.612 6.239 ( 0.418 5.594 0.362) 5.621 6.373 ( -5.530 8.289 -1.245) 10.042 6.934 ( 0.642 -3.088 -0.588) 3.208 7.400 ( 1.392 -2.994 -0.821) 3.402 ======================= Grid point 102 (42/160) ======================= q-point: (-0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -4.854 17.095 12.366) 21.650 0.638 ( 0.366 11.031 19.392) 22.313 1.058 ( 8.516 27.771 20.643) 35.635 1.595 ( -0.765 1.574 0.708) 1.888 2.143 ( -3.253 -5.255 0.219) 6.185 2.514 ( -1.218 -5.095 -0.968) 5.327 2.590 ( -1.154 -2.762 -2.176) 3.701 2.713 ( 4.933 -1.588 1.279) 5.338 2.806 ( 3.701 2.578 -2.998) 5.416 2.911 ( -9.028 2.398 0.011) 9.341 3.138 ( 1.218 1.322 -1.591) 2.400 3.196 ( -4.873 -7.929 -5.544) 10.833 3.371 ( 6.800 -3.786 -3.447) 8.512 3.644 ( -2.490 3.661 -3.764) 5.811 3.806 ( 4.922 -11.705 5.955) 14.025 4.057 ( 6.961 0.987 -2.831) 7.579 4.243 ( -4.784 1.273 -1.413) 5.148 4.261 ( 2.600 -2.499 3.266) 4.865 4.349 ( -1.724 0.594 0.278) 1.845 4.404 ( 0.225 -0.205 1.054) 1.097 4.506 ( 2.775 1.438 4.789) 5.719 4.662 ( 6.372 6.972 -0.661) 9.468 4.783 ( -0.687 -1.108 -1.934) 2.333 4.943 ( 1.129 3.876 0.734) 4.103 5.132 ( -2.827 3.106 -6.756) 7.955 5.279 ( 0.114 -2.169 1.599) 2.697 5.335 ( -4.092 3.347 -2.397) 5.805 5.497 ( 0.017 2.762 -5.870) 6.487 5.639 ( -3.859 3.622 -2.589) 5.891 5.713 ( -0.869 -4.762 1.193) 4.986 5.780 ( 1.291 -2.530 0.657) 2.915 6.082 ( 3.691 9.838 -6.518) 12.365 6.188 ( 5.090 7.253 -4.324) 9.860 6.237 ( 0.300 8.602 -1.775) 8.788 6.858 ( -4.505 5.322 -2.685) 7.472 7.480 ( -2.424 -12.994 2.595) 13.471 ======================= Grid point 105 (43/160) ======================= q-point: ( 0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 10.347 0.000 2.828) 10.726 1.606 ( 10.080 0.000 0.206) 10.082 1.859 ( 2.739 0.000 1.000) 2.916 2.016 ( 0.731 0.000 7.380) 7.416 2.166 ( 0.551 0.000 -7.429) 7.449 2.231 ( -4.407 -0.000 -1.469) 4.645 2.429 ( 3.415 0.000 3.361) 4.792 2.521 ( 3.691 0.000 -10.304) 10.945 2.731 ( -0.271 -0.000 -4.817) 4.825 2.736 ( 3.702 0.000 -0.481) 3.733 3.105 ( 3.177 0.000 -5.549) 6.394 3.121 ( -9.220 -0.000 1.630) 9.363 3.272 ( -11.771 -0.000 12.901) 17.464 3.474 ( 3.459 0.000 2.591) 4.322 3.781 ( -7.734 -0.000 2.294) 8.067 3.862 ( -0.493 -0.000 0.275) 0.564 4.080 ( -1.617 -0.000 -3.605) 3.951 4.426 ( 1.140 0.000 -2.347) 2.610 4.441 ( -3.372 -0.000 -0.289) 3.384 4.625 ( 4.472 0.000 -1.369) 4.677 4.635 ( 0.348 0.000 -1.311) 1.357 4.697 ( 3.178 0.000 -5.178) 6.076 4.846 ( -1.548 -0.000 -5.622) 5.831 4.881 ( -1.570 -0.000 -1.223) 1.990 5.089 ( -0.859 -0.000 -0.127) 0.868 5.217 ( -0.397 -0.000 -0.229) 0.458 5.296 ( 2.859 0.000 2.649) 3.898 5.337 ( 0.510 0.000 -1.469) 1.555 5.601 ( -1.331 -0.000 1.660) 2.128 5.626 ( 3.171 0.000 -0.842) 3.281 5.794 ( 0.070 0.000 -0.264) 0.273 5.941 ( -13.334 -0.000 0.704) 13.353 6.457 ( -8.904 -0.000 0.289) 8.908 6.676 ( 11.064 0.000 10.776) 15.445 6.717 ( 8.371 0.000 6.650) 10.691 7.249 ( -1.027 -0.000 -9.334) 9.390 ======================= Grid point 106 (44/160) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 4.100 10.370 -3.153) 11.589 1.793 ( 4.192 0.882 -1.157) 4.437 1.845 ( 2.402 3.077 2.995) 4.921 2.093 ( -1.540 -5.767 2.273) 6.388 2.128 ( -1.442 -1.639 -2.955) 3.674 2.141 ( -4.157 -2.758 -0.206) 4.993 2.483 ( 2.972 0.384 -3.598) 4.683 2.525 ( 0.088 -3.089 -4.528) 5.482 2.717 ( 0.606 -1.567 -1.876) 2.518 2.788 ( 2.892 0.942 -2.768) 4.113 3.019 ( -1.025 2.446 -0.307) 2.669 3.072 ( -4.735 -0.137 -2.766) 5.485 3.221 ( -2.913 -0.040 9.700) 10.128 3.510 ( -3.601 1.207 5.918) 7.032 3.699 ( 0.036 1.415 -2.777) 3.117 3.864 ( 0.159 -1.430 -2.863) 3.204 4.074 ( 1.672 -1.163 -0.047) 2.037 4.359 ( -3.211 2.793 -1.812) 4.626 4.422 ( 1.958 0.899 -1.677) 2.730 4.586 ( -2.145 1.386 -1.965) 3.222 4.678 ( 2.532 -2.146 -1.845) 3.797 4.685 ( -2.887 6.713 -3.305) 8.020 4.797 ( -0.200 -4.019 -5.181) 6.560 4.971 ( 6.621 -6.863 -0.301) 9.541 5.057 ( -2.671 -0.173 -0.114) 2.679 5.215 ( 0.133 1.852 2.053) 2.768 5.330 ( -0.516 -2.888 0.715) 3.019 5.365 ( 4.175 -0.589 -0.738) 4.280 5.613 ( -0.152 0.577 2.019) 2.105 5.649 ( -6.684 -3.373 3.743) 8.370 5.721 ( -6.235 0.770 -3.308) 7.100 5.812 ( 0.526 -1.690 -0.394) 1.813 6.340 ( -5.307 -0.075 -0.383) 5.321 6.849 ( 5.500 3.775 8.503) 10.807 6.914 ( 9.035 -0.078 10.301) 13.702 7.170 ( -0.411 2.477 -9.486) 9.813 ======================= Grid point 107 (45/160) ======================= q-point: (-0.56 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -1.783 14.371 -1.404) 14.549 1.674 ( -4.890 13.012 2.637) 14.148 1.873 ( -2.575 0.987 -3.270) 4.278 2.067 ( -0.723 -5.585 -6.871) 8.884 2.099 ( -4.346 2.043 0.785) 4.866 2.231 ( 1.925 -12.833 4.790) 13.833 2.500 ( -2.824 -2.384 1.218) 3.892 2.515 ( 2.117 -0.967 -6.645) 7.041 2.750 ( 0.218 -2.674 -0.820) 2.805 2.810 ( 2.536 -0.310 -0.423) 2.590 2.956 ( -3.581 3.289 -0.242) 4.869 3.094 ( 6.503 2.576 2.768) 7.522 3.183 ( -0.391 3.676 -3.906) 5.378 3.407 ( -8.476 1.008 4.336) 9.573 3.715 ( 4.018 -0.142 -2.800) 4.900 3.859 ( -0.121 -1.256 -2.564) 2.858 4.130 ( 2.576 -1.880 0.027) 3.189 4.277 ( -3.477 1.340 -3.521) 5.127 4.457 ( 0.738 1.855 -0.224) 2.009 4.532 ( -1.811 1.646 -1.572) 2.908 4.596 ( 0.590 -1.685 3.191) 3.657 4.717 ( 1.213 -1.494 -2.337) 3.028 4.807 ( 0.972 -1.609 -4.211) 4.612 4.981 ( -6.285 0.449 1.170) 6.409 5.152 ( 7.947 -3.934 -0.484) 8.881 5.220 ( 0.186 -0.106 1.623) 1.637 5.354 ( -0.930 -4.158 1.003) 4.377 5.414 ( -4.368 0.928 -1.861) 4.838 5.522 ( -0.827 -6.465 2.000) 6.817 5.663 ( 2.240 0.557 1.400) 2.700 5.687 ( -1.574 -0.613 -1.289) 2.125 5.859 ( 3.579 -3.399 -1.098) 5.056 6.282 ( -1.684 -0.272 -1.093) 2.026 6.903 ( 0.823 5.224 7.709) 9.348 6.979 ( 0.443 9.747 -3.940) 10.522 7.181 ( 4.814 -3.818 3.265) 6.959 ======================= Grid point 108 (46/160) ======================= q-point: (-0.44 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -7.054 16.490 -0.041) 17.936 1.460 ( -6.230 16.932 4.963) 18.712 1.809 ( -3.070 -1.081 0.608) 3.311 1.981 ( -4.285 3.954 -0.914) 5.901 2.082 ( -1.417 -4.049 -4.540) 6.246 2.401 ( -3.279 -13.772 3.673) 14.626 2.460 ( -4.065 4.956 -0.470) 6.428 2.528 ( 4.893 -1.875 -3.637) 6.379 2.715 ( -4.258 3.243 -0.945) 5.434 2.775 ( -2.119 2.983 5.185) 6.346 2.953 ( 3.133 -4.035 -0.189) 5.112 3.135 ( 8.583 3.756 -7.990) 12.313 3.238 ( 2.797 -2.089 -0.729) 3.566 3.336 ( 0.025 -1.760 0.885) 1.970 3.792 ( 2.265 -2.809 0.348) 3.626 3.863 ( 2.120 -0.909 -2.105) 3.123 4.150 ( -2.621 -2.369 -2.728) 4.463 4.214 ( 0.739 0.457 -1.051) 1.363 4.441 ( -0.716 0.279 2.161) 2.294 4.479 ( -0.825 3.022 -0.533) 3.178 4.664 ( -0.900 -0.706 3.980) 4.141 4.707 ( -3.807 -1.656 -1.777) 4.515 4.809 ( -0.375 -1.573 -4.015) 4.328 4.906 ( -1.520 -1.784 1.727) 2.911 5.213 ( -1.939 0.062 1.126) 2.243 5.278 ( 3.233 -0.778 -0.754) 3.410 5.351 ( 2.498 0.444 -2.109) 3.299 5.400 ( 0.852 -4.804 0.929) 4.967 5.595 ( 0.507 -2.221 2.288) 3.229 5.639 ( -2.697 -0.401 -0.329) 2.747 5.709 ( 1.149 -0.895 0.767) 1.646 6.006 ( 9.094 -7.072 -2.581) 11.806 6.274 ( 1.498 0.129 -1.863) 2.394 6.805 ( -5.579 11.469 -1.471) 12.839 6.890 ( 0.371 4.826 0.450) 4.861 7.305 ( 2.299 -3.824 3.056) 5.408 ======================= Grid point 109 (47/160) ======================= q-point: (-0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -8.537 15.975 5.271) 18.864 1.238 ( -4.372 18.503 5.142) 19.695 1.732 ( -4.517 7.106 1.816) 8.614 1.912 ( -6.443 22.816 -0.744) 23.720 1.960 ( 0.283 -4.781 1.565) 5.039 2.364 ( -1.799 -5.105 1.924) 5.745 2.437 ( -3.413 -8.542 0.167) 9.200 2.617 ( -0.609 -6.188 -5.704) 8.438 2.717 ( 4.229 -1.956 -0.903) 4.746 2.827 ( 2.712 -6.494 8.266) 10.856 3.016 ( -1.063 -2.597 2.473) 3.740 3.202 ( -0.289 0.144 -0.128) 0.347 3.244 ( 7.649 1.205 -8.718) 11.660 3.454 ( 8.059 -4.651 -2.845) 9.730 3.771 ( -2.964 1.189 -1.389) 3.482 3.951 ( 5.132 -3.744 -3.603) 7.303 4.134 ( -0.133 -2.379 1.680) 2.915 4.255 ( 2.433 -0.802 1.898) 3.188 4.419 ( -4.065 -0.323 2.031) 4.556 4.454 ( 2.105 4.159 0.614) 4.701 4.588 ( -6.821 2.522 1.462) 7.418 4.681 ( -2.282 -4.801 -1.466) 5.514 4.784 ( 1.209 1.929 -0.828) 2.422 4.954 ( 1.554 -1.592 2.132) 3.081 5.192 ( -1.190 0.134 -0.392) 1.261 5.260 ( -1.006 1.503 -3.132) 3.617 5.412 ( 3.348 0.828 -0.030) 3.449 5.461 ( 0.390 -4.557 -1.070) 4.697 5.614 ( -1.125 -1.488 1.409) 2.338 5.633 ( -0.085 -2.304 2.617) 3.488 5.726 ( -0.729 -1.359 1.205) 1.957 6.184 ( 9.223 -1.270 -6.530) 11.372 6.309 ( 4.782 1.184 -1.478) 5.144 6.574 ( -7.464 11.827 -2.637) 14.232 6.877 ( 0.507 -0.666 0.868) 1.205 7.335 ( -3.755 -4.036 -1.943) 5.845 ======================= Grid point 110 (48/160) ======================= q-point: (-0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 0.102 14.300 13.697) 19.802 0.991 ( -6.873 20.442 3.348) 21.824 1.590 ( 5.021 20.687 3.376) 21.554 1.687 ( 0.108 14.733 5.877) 15.862 2.025 ( -1.029 -6.593 1.696) 6.885 2.395 ( -3.561 -7.349 0.646) 8.192 2.524 ( 2.667 -4.975 1.529) 5.848 2.618 ( 0.031 -8.093 -5.051) 9.540 2.801 ( 4.660 -1.797 -2.749) 5.701 2.958 ( -7.421 1.212 1.807) 7.733 3.000 ( -0.667 -10.339 5.991) 11.968 3.168 ( -0.234 1.604 -1.103) 1.960 3.340 ( 8.169 0.179 -6.230) 10.275 3.623 ( 6.276 -7.821 1.184) 10.098 3.699 ( -2.777 1.255 -2.561) 3.981 4.033 ( 3.747 -2.876 -5.453) 7.214 4.212 ( 3.705 -2.578 5.633) 7.219 4.268 ( -1.973 1.281 0.662) 2.444 4.355 ( -3.656 0.840 -0.311) 3.764 4.466 ( 0.080 5.450 0.169) 5.454 4.509 ( 1.478 -1.023 4.941) 5.258 4.681 ( 1.139 -1.811 -1.759) 2.770 4.824 ( 4.701 3.264 2.445) 6.224 4.988 ( 0.046 0.371 3.049) 3.072 5.144 ( -1.946 -0.043 -4.516) 4.918 5.244 ( 0.813 -0.674 -0.717) 1.276 5.403 ( -1.738 3.551 -1.549) 4.246 5.483 ( -0.518 -3.387 -3.149) 4.654 5.616 ( -1.731 -2.853 1.158) 3.532 5.664 ( -1.867 -1.199 2.760) 3.541 5.739 ( -0.074 -2.361 1.327) 2.709 6.250 ( 6.227 5.203 -8.117) 11.477 6.306 ( -3.013 7.774 -4.086) 9.285 6.403 ( 4.636 7.136 -2.053) 8.754 6.894 ( -2.252 -1.105 -0.626) 2.585 7.266 ( -7.466 -8.938 -4.019) 12.319 ======================= Grid point 111 (49/160) ======================= q-point: (-0.11 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 4.564 11.025 12.060) 16.965 0.943 ( 12.247 8.794 14.433) 20.872 1.604 ( 15.660 21.456 7.770) 27.676 1.631 ( 1.241 6.331 2.871) 7.062 2.056 ( -1.573 -4.017 -0.894) 4.405 2.419 ( -1.997 -8.005 -2.027) 8.496 2.540 ( -1.870 -0.714 -0.173) 2.009 2.706 ( -4.754 -0.932 -0.549) 4.875 2.802 ( -3.030 -2.761 0.090) 4.100 2.877 ( 4.981 -0.469 -2.204) 5.467 3.021 ( -5.448 -2.289 -0.137) 5.911 3.188 ( 3.418 -0.892 -1.337) 3.777 3.425 ( 3.687 -1.187 -0.557) 3.913 3.619 ( -3.541 2.640 -3.392) 5.569 3.810 ( 3.231 -8.827 6.239) 11.282 4.019 ( -4.142 -3.463 -4.266) 6.881 4.189 ( -4.285 2.405 0.842) 4.985 4.321 ( 0.103 -2.115 1.746) 2.744 4.374 ( 6.139 -0.103 2.762) 6.733 4.407 ( -0.352 2.156 0.842) 2.341 4.618 ( 4.993 0.610 4.442) 6.711 4.741 ( 2.978 -2.702 -0.843) 4.108 4.874 ( 4.272 2.315 -0.185) 4.862 4.983 ( 0.100 2.684 1.676) 3.165 5.105 ( 1.384 2.641 -5.256) 6.043 5.265 ( -1.105 0.093 -0.890) 1.422 5.298 ( -2.583 3.085 -1.402) 4.260 5.473 ( -0.948 -0.627 -5.616) 5.729 5.561 ( -6.214 0.337 -1.889) 6.504 5.657 ( -0.373 -2.451 0.822) 2.612 5.790 ( 1.233 -3.029 1.881) 3.773 6.146 ( 1.042 7.584 -3.294) 8.334 6.282 ( 4.362 3.375 -6.124) 8.241 6.402 ( 4.792 9.970 -0.753) 11.087 6.815 ( -3.504 0.767 -2.663) 4.467 7.274 ( -5.044 -14.910 -1.332) 15.796 ======================= Grid point 115 (50/160) ======================= q-point: (-0.67 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 2.539 0.000 -9.110) 9.457 1.785 ( -2.749 -0.000 0.846) 2.876 1.874 ( -2.936 -0.000 2.399) 3.791 1.986 ( -6.662 -0.000 -4.716) 8.162 2.040 ( -4.554 -0.000 5.034) 6.788 2.154 ( 1.905 0.000 3.131) 3.666 2.476 ( -3.447 -0.000 1.987) 3.979 2.512 ( 6.501 0.000 -7.500) 9.925 2.703 ( -0.435 -0.000 -0.240) 0.497 2.808 ( 1.315 0.000 -0.697) 1.489 2.994 ( -2.293 -0.000 0.904) 2.464 3.098 ( 6.744 0.000 0.857) 6.798 3.240 ( -0.328 -0.000 0.128) 0.352 3.423 ( -9.309 -0.000 4.084) 10.166 3.732 ( 3.821 0.000 -5.459) 6.663 3.835 ( -0.379 -0.000 -2.595) 2.622 4.111 ( 2.371 0.000 -0.376) 2.401 4.279 ( -4.658 -0.000 -4.932) 6.784 4.486 ( 5.686 0.000 1.371) 5.849 4.516 ( -3.623 -0.000 -0.508) 3.658 4.597 ( -7.245 -0.000 -3.080) 7.872 4.701 ( 1.931 0.000 -2.040) 2.809 4.840 ( 3.773 0.000 -1.736) 4.153 4.999 ( -4.873 -0.000 0.557) 4.905 5.052 ( 9.244 0.000 -0.887) 9.286 5.235 ( 0.125 0.000 2.049) 2.053 5.299 ( -0.553 -0.000 0.007) 0.553 5.421 ( -6.317 -0.000 -1.636) 6.526 5.455 ( 0.576 0.000 4.677) 4.712 5.662 ( 1.568 0.000 2.051) 2.582 5.690 ( -0.668 -0.000 -2.200) 2.300 5.832 ( 2.684 0.000 -0.924) 2.839 6.280 ( -1.475 -0.000 -1.243) 1.928 6.967 ( 0.928 0.000 7.696) 7.752 7.068 ( 1.558 0.000 0.766) 1.736 7.135 ( 2.746 0.000 -0.919) 2.896 ======================= Grid point 117 (51/160) ======================= q-point: (-0.56 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -7.033 13.955 -0.001) 15.627 1.696 ( -5.305 7.353 0.319) 9.072 1.781 ( -4.511 -1.530 -1.717) 5.064 1.942 ( -2.445 -5.861 -3.156) 7.091 2.007 ( -7.498 -6.559 3.659) 10.613 2.218 ( 4.744 -1.052 0.925) 4.946 2.460 ( -0.032 -0.988 -1.182) 1.541 2.583 ( 4.837 3.668 0.777) 6.120 2.706 ( -1.260 -3.927 -0.230) 4.130 2.832 ( -0.375 -0.769 3.099) 3.215 2.972 ( -2.129 5.326 4.856) 7.516 3.203 ( 4.135 2.543 -9.579) 10.738 3.221 ( 6.512 0.199 -2.264) 6.897 3.303 ( -5.594 -0.997 2.168) 6.082 3.764 ( 4.227 0.387 -2.181) 4.773 3.828 ( -0.869 -2.631 -1.983) 3.407 4.108 ( -2.364 -1.822 -3.009) 4.238 4.211 ( -0.374 -0.341 -2.791) 2.837 4.459 ( -2.690 1.421 1.757) 3.513 4.501 ( -2.674 -0.281 0.158) 2.693 4.581 ( -1.184 -4.094 1.326) 4.463 4.709 ( -0.255 0.351 -1.139) 1.218 4.846 ( 0.273 1.137 0.453) 1.254 4.917 ( -1.067 4.189 1.277) 4.507 5.219 ( 4.539 -2.506 -2.265) 5.658 5.232 ( 1.532 -0.890 0.133) 1.776 5.316 ( 0.451 -2.671 1.187) 2.958 5.366 ( 2.975 0.179 -0.857) 3.101 5.541 ( 1.629 -2.245 3.883) 4.772 5.650 ( -2.259 1.021 -0.517) 2.532 5.693 ( 0.899 -0.870 0.557) 1.369 5.904 ( 6.534 -2.884 -1.615) 7.323 6.276 ( 2.062 0.057 -2.633) 3.345 6.952 ( -5.212 4.483 5.006) 8.504 6.991 ( -1.075 3.895 -8.472) 9.386 7.230 ( 1.215 -3.254 5.137) 6.201 ======================= Grid point 118 (52/160) ======================= q-point: (-0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -8.028 15.839 3.447) 18.088 1.518 ( -5.698 11.003 1.495) 12.481 1.789 ( 1.584 -1.367 2.041) 2.923 1.897 ( -6.265 -2.455 0.702) 6.766 2.026 ( 1.957 -7.752 -1.480) 8.131 2.289 ( -1.525 -2.805 3.620) 4.827 2.428 ( -1.643 5.170 -5.109) 7.452 2.593 ( -0.302 2.750 -0.679) 2.849 2.734 ( 1.586 3.562 2.871) 4.842 2.754 ( -5.376 -1.467 4.475) 7.147 2.953 ( -0.216 -2.175 4.106) 4.651 3.214 ( -0.991 1.214 0.087) 1.570 3.267 ( 10.354 1.256 -8.940) 13.737 3.377 ( 6.685 -3.867 -2.880) 8.243 3.770 ( -4.449 -1.606 -2.910) 5.554 3.882 ( 6.461 -2.758 -1.697) 7.227 4.094 ( 0.358 -1.952 0.679) 2.097 4.236 ( 2.453 -1.446 1.802) 3.370 4.416 ( -4.579 0.414 3.162) 5.580 4.482 ( -1.058 -0.272 1.032) 1.503 4.559 ( -4.832 -6.655 0.560) 8.243 4.658 ( -1.823 3.432 -0.191) 3.891 4.856 ( 2.307 4.456 1.294) 5.181 4.930 ( 2.405 -0.063 2.037) 3.152 5.208 ( -0.134 1.443 -0.618) 1.575 5.277 ( 0.487 -0.573 -4.049) 4.118 5.378 ( 0.991 -2.618 1.946) 3.409 5.431 ( 4.225 0.384 -1.482) 4.494 5.567 ( -1.109 -2.982 1.105) 3.368 5.627 ( -0.547 1.096 3.653) 3.853 5.706 ( -0.641 -0.947 -0.271) 1.175 6.089 ( 10.466 -7.123 -2.175) 12.846 6.310 ( 4.130 -0.169 -3.201) 5.228 6.771 ( -9.314 8.837 -1.337) 12.909 6.918 ( 0.501 3.244 -4.845) 5.852 7.254 ( -4.668 -4.264 -0.495) 6.342 ======================= Grid point 119 (53/160) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -0.398 15.770 8.134) 17.749 1.327 ( -4.356 14.748 -0.546) 15.388 1.777 ( -0.265 7.756 1.004) 7.825 1.890 ( 0.025 -5.226 2.797) 5.928 2.103 ( 2.076 10.378 0.600) 10.601 2.269 ( -2.670 -5.083 1.536) 5.943 2.350 ( 2.113 -4.506 -0.737) 5.031 2.543 ( -2.190 -0.971 -3.362) 4.128 2.745 ( 0.589 -4.513 0.305) 4.561 2.846 ( 1.118 -5.982 8.519) 10.469 2.967 ( -2.968 0.116 4.340) 5.259 3.198 ( 0.430 1.812 -0.379) 1.901 3.368 ( 8.804 2.543 -6.588) 11.286 3.500 ( 4.216 -5.467 -1.881) 7.156 3.687 ( -3.295 -2.108 -4.694) 6.110 3.991 ( 4.803 -1.238 -2.157) 5.408 4.165 ( 3.444 -2.361 5.373) 6.804 4.290 ( 0.109 1.036 2.238) 2.469 4.366 ( -2.153 -0.455 2.849) 3.600 4.480 ( 0.305 -1.358 2.240) 2.638 4.550 ( -2.035 0.558 -0.691) 2.220 4.645 ( 2.653 -0.019 1.265) 2.939 4.881 ( 3.748 3.043 4.406) 6.536 4.961 ( -1.083 -1.936 2.482) 3.328 5.162 ( -2.207 2.164 -3.033) 4.330 5.257 ( 0.878 1.283 -3.273) 3.624 5.396 ( -1.631 -4.420 -2.921) 5.543 5.461 ( 1.096 2.010 -0.420) 2.328 5.596 ( -0.232 -0.893 1.972) 2.177 5.632 ( -1.979 -1.015 5.308) 5.755 5.700 ( -0.436 -1.674 -0.707) 1.868 6.270 ( 6.425 -2.284 -3.954) 7.882 6.396 ( 6.738 -3.343 -1.853) 7.747 6.508 ( -10.029 8.838 -3.777) 13.891 6.898 ( 2.565 2.370 -2.928) 4.557 7.148 ( -9.841 -4.229 -7.766) 13.230 ======================= Grid point 120 (54/160) ======================= q-point: (-0.22 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -1.380 16.975 1.936) 17.140 1.144 ( 8.563 12.591 9.139) 17.759 1.731 ( 2.690 7.070 0.808) 7.608 1.965 ( 2.766 -2.298 2.639) 4.460 2.018 ( 5.423 14.603 0.272) 15.580 2.282 ( -1.744 -5.189 -1.559) 5.692 2.495 ( -1.891 -7.136 -5.295) 9.085 2.553 ( 5.120 -7.841 4.582) 10.425 2.779 ( -3.686 -3.394 0.436) 5.030 2.892 ( -2.219 0.529 2.344) 3.271 2.969 ( -0.055 -2.101 6.162) 6.511 3.188 ( 1.019 1.321 -0.302) 1.696 3.428 ( 4.168 1.294 -2.255) 4.912 3.554 ( -4.270 -7.074 0.415) 8.273 3.717 ( 6.058 -2.219 -1.027) 6.532 3.997 ( -3.294 0.697 -2.087) 3.961 4.240 ( -1.279 2.689 -0.054) 2.978 4.300 ( 0.553 -0.350 4.063) 4.116 4.365 ( 4.999 0.069 1.831) 5.325 4.473 ( -1.733 4.021 -0.234) 4.385 4.597 ( 5.324 -2.458 5.654) 8.146 4.697 ( 1.736 -1.804 -0.720) 2.605 4.903 ( -1.659 1.414 1.676) 2.749 5.013 ( 2.743 -0.886 5.054) 5.819 5.114 ( 0.871 -0.371 -3.094) 3.236 5.245 ( 0.129 0.135 -2.554) 2.561 5.382 ( -2.669 -0.941 -3.306) 4.351 5.417 ( -1.341 1.099 -2.649) 3.166 5.570 ( -5.999 0.309 0.811) 6.061 5.646 ( 1.309 -0.120 3.492) 3.731 5.727 ( 0.713 -3.477 0.510) 3.586 6.285 ( -4.604 6.089 -4.070) 8.651 6.320 ( 2.429 0.979 -3.512) 4.381 6.512 ( 3.941 -0.969 -0.212) 4.064 6.854 ( -4.038 5.632 -3.151) 7.613 7.030 ( -2.796 -10.233 -10.075) 14.630 ======================= Grid point 121 (55/160) ======================= q-point: (-0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 9.294 5.987 9.200) 14.383 1.280 ( 11.557 6.926 6.697) 15.046 1.728 ( 4.079 6.186 0.600) 7.434 2.002 ( 3.311 2.217 -4.203) 5.791 2.055 ( 10.477 9.787 2.266) 14.515 2.292 ( -2.479 -7.287 -4.337) 8.834 2.475 ( -4.216 -5.731 -2.667) 7.598 2.632 ( -4.556 5.978 4.598) 8.811 2.747 ( 0.402 -5.282 0.098) 5.298 2.928 ( 2.720 -1.503 -1.067) 3.285 2.970 ( -1.257 0.772 1.902) 2.406 3.214 ( 1.169 -1.515 0.560) 1.994 3.455 ( -1.018 -0.202 3.613) 3.759 3.515 ( -6.094 -1.495 -1.031) 6.359 3.842 ( 3.247 -2.096 3.348) 5.113 3.900 ( -4.815 -1.220 0.119) 4.969 4.149 ( -3.570 3.041 -2.004) 5.100 4.290 ( -3.417 -0.633 2.616) 4.350 4.430 ( 0.876 1.761 -1.136) 2.272 4.500 ( 5.182 0.414 4.709) 7.014 4.704 ( 0.769 -0.219 3.234) 3.331 4.730 ( 2.551 -2.493 -3.274) 4.842 4.890 ( 0.086 -1.489 1.378) 2.031 5.043 ( 1.760 3.226 -1.296) 3.897 5.144 ( 2.537 1.730 -2.215) 3.786 5.236 ( -1.283 -2.220 -0.655) 2.646 5.288 ( -1.990 4.395 -1.838) 5.163 5.384 ( -6.217 0.442 -1.860) 6.504 5.467 ( -0.422 -3.009 -3.883) 4.930 5.689 ( 2.592 2.400 2.232) 4.178 5.778 ( 0.388 -3.588 0.642) 3.665 6.222 ( 1.611 1.238 -0.382) 2.067 6.320 ( 1.877 1.101 -1.511) 2.649 6.531 ( 1.913 4.930 0.984) 5.379 6.720 ( -6.251 0.024 -2.334) 6.672 7.080 ( 0.742 -11.168 -8.238) 13.898 ======================= Grid point 126 (56/160) ======================= q-point: (-0.56 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -8.847 -0.000 1.464) 8.967 1.637 ( -7.040 -0.000 1.296) 7.158 1.762 ( 3.914 0.000 0.764) 3.988 1.833 ( -8.946 -0.000 3.343) 9.550 1.913 ( 1.317 0.000 0.418) 1.382 2.315 ( 6.287 0.000 -2.908) 6.927 2.447 ( -1.479 -0.000 0.071) 1.480 2.630 ( -2.537 -0.000 -1.088) 2.761 2.687 ( 0.250 0.000 2.830) 2.841 2.799 ( -6.315 -0.000 4.554) 7.786 2.982 ( -1.477 -0.000 1.995) 2.482 3.236 ( -1.959 -0.000 2.312) 3.030 3.284 ( 10.334 0.000 -7.893) 13.003 3.327 ( 7.994 0.000 -4.395) 9.123 3.739 ( -5.336 -0.000 -3.242) 6.243 3.857 ( 7.468 0.000 -0.704) 7.501 4.073 ( 1.100 0.000 0.160) 1.111 4.214 ( 1.605 0.000 0.282) 1.629 4.439 ( -1.693 -0.000 4.999) 5.278 4.473 ( -9.008 -0.000 1.745) 9.176 4.478 ( -0.877 -0.000 0.937) 1.283 4.690 ( -0.559 -0.000 -1.260) 1.378 4.886 ( 2.163 0.000 1.686) 2.743 4.961 ( 1.433 0.000 2.054) 2.504 5.231 ( 0.837 0.000 -1.068) 1.357 5.251 ( 1.387 0.000 -4.396) 4.610 5.361 ( 3.126 0.000 4.406) 5.402 5.429 ( 3.114 0.000 -2.958) 4.295 5.536 ( -0.841 -0.000 1.367) 1.605 5.647 ( -0.951 -0.000 4.963) 5.053 5.692 ( 0.128 0.000 -1.476) 1.482 6.008 ( 9.224 0.000 -1.370) 9.325 6.309 ( 3.831 0.000 -3.689) 5.319 6.870 ( -9.959 -0.000 0.683) 9.982 6.946 ( 0.384 0.000 -9.244) 9.252 7.206 ( -4.123 -0.000 0.771) 4.194 ======================= Grid point 128 (57/160) ======================= q-point: (-0.44 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -0.742 10.169 4.042) 10.968 1.525 ( -2.528 6.818 -1.219) 7.373 1.768 ( -4.063 -6.777 0.529) 7.919 1.869 ( 4.919 1.672 6.473) 8.300 1.997 ( 4.060 -7.956 3.780) 9.699 2.295 ( -3.014 7.508 -1.098) 8.164 2.446 ( 2.573 -0.713 -5.625) 6.226 2.550 ( -6.482 3.610 -3.934) 8.398 2.639 ( -4.257 -5.667 -0.114) 7.089 2.770 ( -0.776 -2.151 6.613) 6.997 2.988 ( 0.132 1.560 4.354) 4.626 3.240 ( 1.498 2.209 2.063) 3.373 3.415 ( 8.807 1.512 -4.191) 9.869 3.423 ( 4.195 -2.227 -3.484) 5.890 3.649 ( -2.016 -1.441 -5.363) 5.908 3.980 ( 5.707 -0.140 1.538) 5.912 4.133 ( 3.835 -0.900 4.204) 5.762 4.278 ( 3.113 -2.404 3.358) 5.171 4.362 ( -3.103 1.241 2.900) 4.424 4.472 ( -0.398 -0.061 0.738) 0.841 4.486 ( 0.217 -3.773 5.868) 6.979 4.681 ( 1.058 1.511 -0.727) 1.983 4.902 ( -0.890 -0.488 1.458) 1.777 4.983 ( 0.810 3.054 3.642) 4.822 5.208 ( -1.348 2.363 -2.557) 3.734 5.251 ( -0.210 -2.138 -2.872) 3.587 5.371 ( -1.377 2.250 -3.415) 4.315 5.447 ( 1.057 -3.564 0.062) 3.718 5.577 ( 1.582 -0.023 4.229) 4.515 5.646 ( -2.032 1.225 5.132) 5.654 5.678 ( -0.798 -0.670 -2.466) 2.677 6.168 ( 5.678 -5.458 1.694) 8.056 6.352 ( 3.434 -0.627 -3.233) 4.758 6.655 ( -9.793 5.345 -6.359) 12.842 6.921 ( 2.287 -0.624 -9.409) 9.703 7.108 ( -6.834 -0.327 -4.330) 8.097 ======================= Grid point 129 (58/160) ======================= q-point: (-0.33 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 6.138 12.924 4.804) 15.092 1.403 ( 0.100 12.731 -2.721) 13.019 1.804 ( 1.287 -4.400 -1.705) 4.891 1.927 ( 2.498 3.873 5.693) 7.325 2.140 ( -1.947 0.380 1.187) 2.312 2.230 ( 2.071 -8.134 1.753) 8.574 2.393 ( 1.920 5.598 -6.496) 8.788 2.480 ( -0.184 -3.538 -2.491) 4.331 2.672 ( -0.268 -7.263 -0.603) 7.293 2.837 ( -0.548 -3.902 7.406) 8.389 2.984 ( -2.011 1.484 5.886) 6.394 3.239 ( 0.407 3.802 0.154) 3.826 3.402 ( -4.347 -4.531 -2.406) 6.724 3.509 ( 5.314 2.710 -0.332) 5.974 3.692 ( 7.273 -0.640 -2.736) 7.797 4.021 ( -1.058 1.764 2.516) 3.249 4.238 ( 2.762 -1.696 4.772) 5.769 4.331 ( 1.102 1.885 1.042) 2.419 4.383 ( 3.899 1.552 1.811) 4.571 4.509 ( 2.667 -0.720 2.985) 4.067 4.554 ( 1.715 -1.615 4.658) 5.220 4.689 ( 1.339 0.838 -0.436) 1.638 4.912 ( -2.629 -3.555 3.157) 5.433 4.971 ( 0.284 2.162 4.297) 4.818 5.148 ( -0.096 2.871 -2.663) 3.917 5.241 ( -1.662 -2.185 -2.699) 3.849 5.322 ( -0.539 -0.504 -4.904) 4.959 5.479 ( 0.071 0.578 -0.937) 1.103 5.563 ( -5.994 0.180 4.329) 7.396 5.644 ( 1.044 0.016 2.097) 2.343 5.672 ( -0.207 -1.992 0.016) 2.003 6.232 ( -9.831 -8.397 4.848) 13.808 6.366 ( -0.900 1.042 -2.180) 2.578 6.503 ( 5.103 3.377 -9.175) 11.028 6.887 ( -4.605 -5.392 -14.491) 16.133 6.992 ( 2.215 6.471 -4.245) 8.050 ======================= Grid point 130 (59/160) ======================= q-point: (-0.22 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 3.654 13.781 -0.204) 14.259 1.433 ( 8.428 9.281 3.692) 13.069 1.843 ( 3.907 4.089 -0.060) 5.656 1.978 ( 3.518 -1.701 -1.414) 4.156 2.144 ( -0.010 -3.613 1.101) 3.777 2.228 ( -2.091 -0.686 -5.761) 6.167 2.393 ( 1.103 -0.445 -7.357) 7.452 2.588 ( 4.249 -7.792 5.516) 10.449 2.712 ( -1.294 -1.039 1.408) 2.177 2.870 ( -0.880 -3.150 1.019) 3.426 2.994 ( -0.378 0.849 6.602) 6.667 3.201 ( -1.661 0.225 0.168) 1.685 3.398 ( -1.873 -4.622 1.590) 5.235 3.531 ( -0.400 3.169 3.575) 4.794 3.810 ( 7.035 -0.340 -0.092) 7.044 3.955 ( -4.775 4.675 2.598) 7.169 4.218 ( -3.483 3.241 -2.693) 5.467 4.307 ( -3.325 1.875 2.547) 4.589 4.472 ( 0.648 2.155 0.059) 2.252 4.516 ( 5.556 2.827 3.890) 7.348 4.669 ( 1.859 -2.772 5.370) 6.323 4.708 ( 3.875 0.207 -1.016) 4.011 4.878 ( -1.411 0.363 1.385) 2.011 5.066 ( 1.948 -4.947 5.488) 7.641 5.119 ( 0.396 1.213 -2.028) 2.395 5.212 ( -1.294 -0.881 -3.492) 3.827 5.302 ( -1.105 -2.382 -4.069) 4.842 5.418 ( -3.436 4.359 1.313) 5.704 5.472 ( -3.234 1.396 -4.031) 5.354 5.692 ( 0.373 -5.501 -0.361) 5.525 5.719 ( 3.307 0.315 3.618) 4.912 6.144 ( -10.157 -9.836 2.719) 14.398 6.347 ( 1.115 1.631 -0.540) 2.048 6.539 ( 2.552 -0.210 -3.015) 3.955 6.752 ( -4.821 -0.886 -11.291) 12.309 6.996 ( 5.919 3.195 -7.126) 9.799 ======================= Grid point 131 (60/160) ======================= q-point: (-0.11 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 11.422 3.357 5.686) 13.194 1.487 ( 4.662 5.211 0.144) 6.993 1.830 ( -1.694 5.755 -0.647) 6.034 2.033 ( 4.928 -0.094 -4.206) 6.479 2.139 ( -2.783 -8.705 -6.217) 11.053 2.281 ( 5.656 -4.475 -1.437) 7.354 2.357 ( 2.271 4.193 -6.352) 7.943 2.677 ( -1.051 4.772 3.581) 6.058 2.710 ( -0.392 -4.155 2.368) 4.799 2.914 ( 0.156 -3.220 -0.490) 3.261 2.994 ( 0.965 1.806 0.240) 2.061 3.184 ( -3.345 -2.910 2.000) 4.864 3.402 ( -2.259 -0.502 0.191) 2.322 3.475 ( -5.919 3.274 7.032) 9.757 3.831 ( -6.681 3.297 2.675) 7.916 3.912 ( 3.103 -0.244 2.724) 4.137 4.120 ( -1.117 3.100 -2.769) 4.304 4.236 ( -4.615 0.242 3.206) 5.624 4.420 ( -1.421 2.068 -1.301) 2.827 4.585 ( 0.515 1.839 2.583) 3.212 4.732 ( 3.549 1.619 4.126) 5.679 4.756 ( 0.868 -1.676 -2.588) 3.203 4.893 ( 1.518 0.422 -0.690) 1.720 5.058 ( -1.361 1.961 -1.792) 2.985 5.158 ( -1.909 -5.394 -0.859) 5.786 5.196 ( 1.855 2.612 -1.575) 3.570 5.277 ( -0.722 0.246 -0.878) 1.163 5.336 ( -0.432 3.043 -1.844) 3.584 5.465 ( 4.294 -1.439 -1.015) 4.641 5.737 ( -0.379 -4.207 -0.649) 4.274 5.771 ( 1.919 1.416 1.409) 2.770 6.137 ( -6.723 -8.806 4.840) 12.090 6.385 ( 4.728 -2.219 -0.035) 5.223 6.549 ( -1.198 -1.036 0.430) 1.641 6.633 ( -3.122 2.195 -4.185) 5.664 7.032 ( 5.444 -0.498 -8.422) 10.040 ======================= Grid point 137 (61/160) ======================= q-point: ( 0.56 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 5.319 0.000 -0.943) 5.402 1.573 ( 4.280 0.000 1.298) 4.472 1.676 ( -0.451 -0.000 -1.925) 1.977 2.025 ( 2.764 0.000 4.731) 5.480 2.048 ( 6.255 0.000 9.234) 11.153 2.214 ( -11.045 -0.000 -4.716) 12.010 2.410 ( -0.341 -0.000 -1.484) 1.522 2.489 ( 0.300 0.000 -8.345) 8.350 2.574 ( 2.092 0.000 -3.078) 3.722 2.797 ( 0.668 0.000 7.504) 7.533 2.997 ( -2.756 -0.000 6.561) 7.116 3.293 ( 1.759 0.000 1.545) 2.341 3.344 ( -6.653 -0.000 -4.015) 7.770 3.548 ( 5.861 0.000 -0.317) 5.870 3.685 ( 8.308 0.000 -4.000) 9.221 4.048 ( 0.009 0.000 5.926) 5.926 4.220 ( 2.988 0.000 4.920) 5.756 4.330 ( 2.194 0.000 2.899) 3.636 4.418 ( 6.829 0.000 0.334) 6.837 4.486 ( 1.670 0.000 4.364) 4.673 4.537 ( 3.082 0.000 7.404) 8.020 4.698 ( 0.988 0.000 -1.360) 1.680 4.864 ( -2.973 -0.000 2.170) 3.681 5.025 ( -1.308 -0.000 3.785) 4.005 5.178 ( -2.280 -0.000 -3.713) 4.358 5.200 ( -0.867 -0.000 -2.314) 2.471 5.344 ( 0.003 0.000 -5.927) 5.927 5.444 ( -0.109 -0.000 2.109) 2.112 5.588 ( -5.605 -0.000 6.237) 8.385 5.633 ( -1.956 -0.000 -3.830) 4.300 5.663 ( 1.268 0.000 3.327) 3.560 6.130 ( -10.582 -0.000 5.726) 12.032 6.373 ( 1.172 0.000 -1.742) 2.100 6.552 ( 2.303 0.000 -12.536) 12.746 6.829 ( -4.014 -0.000 -13.640) 14.219 7.056 ( 2.733 0.000 -4.936) 5.642 ======================= Grid point 139 (62/160) ======================= q-point: (-0.33 0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 3.397 10.774 -4.069) 12.007 1.613 ( 6.067 9.509 0.404) 11.287 1.784 ( 6.141 -8.098 -1.995) 10.357 1.978 ( -5.984 -1.636 -5.435) 8.247 2.082 ( 0.409 -1.476 2.892) 3.273 2.191 ( -2.175 -0.518 1.624) 2.763 2.385 ( 0.127 -2.589 -3.616) 4.449 2.495 ( 5.482 -1.043 -3.968) 6.847 2.658 ( 5.388 -2.531 0.107) 5.954 2.835 ( -2.210 -0.933 5.779) 6.258 3.006 ( -0.549 0.468 9.307) 9.335 3.210 ( -5.895 0.358 -1.539) 6.103 3.336 ( 1.313 -1.664 1.484) 2.588 3.587 ( -0.328 2.039 2.161) 2.989 3.811 ( 8.407 -0.017 -2.371) 8.735 4.033 ( -4.514 2.750 5.092) 7.339 4.243 ( -2.927 -0.025 2.612) 3.923 4.344 ( -1.126 1.776 -0.011) 2.103 4.509 ( 3.830 2.165 2.036) 4.848 4.592 ( 4.838 -1.299 4.435) 6.690 4.627 ( 4.742 3.611 7.322) 9.442 4.724 ( 2.970 0.127 -0.478) 3.011 4.879 ( 1.335 -2.759 3.325) 4.522 4.982 ( -1.438 1.102 0.850) 2.001 5.144 ( -2.084 -4.342 -2.450) 5.403 5.182 ( -0.749 3.303 0.381) 3.408 5.310 ( 0.713 1.739 -4.613) 4.981 5.457 ( -0.614 -3.090 -1.040) 3.318 5.481 ( -7.608 1.887 2.668) 8.280 5.593 ( -2.143 -3.749 -2.622) 5.052 5.712 ( 2.517 -0.456 2.662) 3.691 5.966 ( -12.972 -6.061 1.295) 14.377 6.368 ( -0.453 0.580 0.205) 0.764 6.562 ( 4.600 1.600 -7.364) 8.829 6.705 ( -3.052 -2.251 -12.522) 13.084 7.082 ( 5.564 3.325 -6.520) 9.194 ======================= Grid point 140 (63/160) ======================= q-point: (-0.22 0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 5.931 10.373 -1.019) 11.992 1.604 ( 2.784 7.246 -1.467) 7.900 1.899 ( 0.340 -2.106 -2.862) 3.569 1.954 ( -3.141 -10.678 -6.283) 12.781 2.057 ( -3.013 4.710 -5.646) 7.946 2.152 ( 3.117 -5.710 -0.903) 6.568 2.416 ( 4.534 -1.014 -7.260) 8.620 2.624 ( 4.682 -3.720 4.548) 7.512 2.732 ( 1.913 1.500 0.838) 2.571 2.840 ( -0.043 -2.405 2.823) 3.708 3.040 ( -0.890 1.418 6.286) 6.505 3.142 ( -3.684 -1.502 2.276) 4.584 3.387 ( 1.457 -0.773 2.430) 2.937 3.527 ( -7.114 2.048 4.920) 8.889 3.905 ( -2.589 2.880 -0.908) 3.977 3.912 ( -1.549 1.392 2.514) 3.265 4.185 ( -3.758 1.265 1.943) 4.415 4.271 ( -2.770 4.305 -2.085) 5.527 4.505 ( -0.067 5.626 3.041) 6.396 4.628 ( 0.206 2.998 1.539) 3.376 4.742 ( -0.211 0.763 -0.239) 0.827 4.753 ( 6.055 0.796 6.444) 8.878 4.931 ( 4.929 3.805 -0.108) 6.228 5.037 ( -0.371 -6.771 1.028) 6.859 5.097 ( -3.764 2.205 0.347) 4.376 5.182 ( 1.757 -5.446 0.602) 5.754 5.274 ( 0.132 2.875 -3.864) 4.818 5.391 ( -0.689 2.443 -1.226) 2.819 5.482 ( 3.446 0.471 -3.188) 4.718 5.612 ( -2.375 -8.484 -0.104) 8.811 5.775 ( 1.702 -1.081 0.719) 2.141 5.895 ( -5.664 -12.807 2.028) 14.150 6.367 ( 0.555 -0.236 -0.389) 0.718 6.563 ( 0.908 1.786 -1.944) 2.792 6.632 ( -2.302 -1.346 -6.088) 6.647 7.096 ( 5.870 4.806 -7.929) 10.974 ======================= Grid point 141 (64/160) ======================= q-point: (-0.11 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -2.008 1.037 -2.667) 3.496 1.562 ( 3.777 4.115 0.667) 5.625 1.731 ( -9.165 2.275 -1.714) 9.597 1.976 ( -0.057 -9.841 -6.860) 11.996 2.089 ( 4.726 -3.122 -6.993) 8.999 2.266 ( 4.720 -5.444 -1.280) 7.318 2.478 ( 7.482 -0.602 -8.318) 11.204 2.695 ( 1.119 2.436 0.247) 2.693 2.720 ( -0.700 2.998 3.728) 4.835 2.908 ( 0.367 -0.952 2.794) 2.975 3.018 ( 0.450 1.245 -1.150) 1.754 3.117 ( -3.647 -0.287 3.959) 5.390 3.352 ( -10.122 1.586 2.695) 10.594 3.427 ( -2.514 0.278 3.995) 4.728 3.744 ( -7.028 2.832 1.402) 7.706 3.949 ( -0.373 0.615 1.195) 1.395 4.144 ( -0.988 0.107 2.279) 2.486 4.193 ( -0.411 3.982 -1.165) 4.170 4.475 ( 1.285 5.323 2.365) 5.965 4.592 ( -2.385 2.421 0.403) 3.422 4.698 ( -2.990 -0.011 -2.097) 3.652 4.831 ( 1.660 1.914 0.266) 2.548 4.943 ( 1.997 2.730 0.790) 3.473 5.064 ( 1.424 0.232 -2.431) 2.827 5.084 ( 0.219 -1.195 0.537) 1.328 5.225 ( -0.368 2.827 -1.263) 3.118 5.264 ( 1.097 -4.565 3.288) 5.732 5.405 ( 4.926 2.904 -2.393) 6.199 5.537 ( 4.553 -0.072 0.781) 4.620 5.651 ( -2.102 -7.482 -0.926) 7.827 5.782 ( -0.665 -1.190 -1.789) 2.249 6.008 ( 0.427 -9.018 4.980) 10.310 6.384 ( 0.934 -4.908 -4.144) 6.491 6.521 ( -3.011 3.030 -2.282) 4.843 6.618 ( 0.818 -1.669 5.370) 5.683 7.109 ( 6.266 3.573 -7.397) 10.332 ======================= Grid point 148 (65/160) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 4.329 0.000 -3.981) 5.881 1.726 ( 2.643 0.000 -3.278) 4.211 1.794 ( -1.495 -0.000 -1.803) 2.343 1.794 ( -3.683 -0.000 -8.276) 9.059 2.087 ( 2.657 0.000 -2.996) 4.005 2.163 ( -4.128 -0.000 -4.671) 6.234 2.362 ( 2.292 0.000 -0.290) 2.310 2.590 ( 9.064 0.000 -1.443) 9.178 2.758 ( 5.524 0.000 2.728) 6.161 2.812 ( -2.477 -0.000 2.588) 3.582 3.050 ( -1.900 -0.000 8.566) 8.775 3.129 ( -3.523 -0.000 2.885) 4.553 3.379 ( 2.785 0.000 2.801) 3.950 3.546 ( -7.884 -0.000 4.318) 8.989 3.917 ( 5.144 0.000 -1.493) 5.357 3.947 ( -9.154 -0.000 2.295) 9.437 4.186 ( -4.933 -0.000 2.793) 5.669 4.329 ( -0.952 -0.000 -2.756) 2.915 4.556 ( -1.148 -0.000 2.441) 2.698 4.677 ( 2.657 0.000 3.548) 4.433 4.751 ( 0.753 0.000 2.322) 2.441 4.784 ( 4.915 0.000 4.745) 6.832 4.949 ( 2.346 0.000 2.704) 3.580 5.007 ( 6.880 0.000 -2.927) 7.477 5.077 ( -1.744 -0.000 1.730) 2.457 5.153 ( -6.774 -0.000 2.494) 7.218 5.315 ( 0.604 0.000 -3.154) 3.211 5.415 ( -0.171 -0.000 -0.376) 0.413 5.439 ( 3.903 0.000 -1.723) 4.267 5.514 ( -3.334 -0.000 -1.852) 3.814 5.756 ( 2.269 0.000 0.872) 2.430 5.780 ( -5.601 -0.000 -3.192) 6.447 6.365 ( -0.324 -0.000 0.157) 0.360 6.591 ( 1.544 0.000 -3.846) 4.144 6.609 ( -1.878 -0.000 -4.466) 4.845 7.147 ( 5.534 0.000 -8.467) 10.115 ======================= Grid point 149 (66/160) ======================= q-point: (-0.22 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -7.448 3.404 -5.378) 9.797 1.673 ( -1.644 6.858 -1.701) 7.255 1.738 ( -4.518 -3.148 -3.335) 6.438 1.812 ( 0.562 -6.628 -4.071) 7.799 2.061 ( 3.338 1.825 -9.570) 10.298 2.158 ( 4.080 -5.615 -5.792) 9.040 2.427 ( 2.717 -2.918 -0.684) 4.045 2.743 ( 7.523 0.248 -0.730) 7.562 2.770 ( 1.464 3.976 -0.558) 4.274 2.878 ( 5.807 -1.625 3.063) 6.763 3.012 ( -7.365 -1.164 5.339) 9.171 3.123 ( -1.522 0.328 6.717) 6.895 3.386 ( -11.171 1.298 4.503) 12.114 3.437 ( -0.959 0.497 3.798) 3.949 3.804 ( -6.992 2.574 0.298) 7.457 3.937 ( -1.705 -1.005 0.429) 2.026 4.155 ( -0.858 0.867 1.896) 2.254 4.291 ( 1.740 4.145 -4.199) 6.151 4.526 ( -2.688 -0.102 1.122) 2.915 4.659 ( -1.905 4.480 0.180) 4.871 4.733 ( -4.321 2.519 0.195) 5.005 4.847 ( 1.253 0.219 -0.361) 1.323 4.954 ( -2.749 -3.050 1.153) 4.264 5.044 ( 3.926 2.464 -0.077) 4.636 5.106 ( 1.927 -1.787 4.474) 5.189 5.202 ( 6.124 0.110 4.171) 7.410 5.277 ( -1.153 2.599 -3.271) 4.333 5.404 ( -5.069 -4.078 0.892) 6.566 5.514 ( 4.185 -2.675 -0.196) 4.971 5.560 ( 8.035 0.765 -2.226) 8.372 5.740 ( -0.144 -2.973 -3.326) 4.463 5.833 ( 5.736 -5.840 1.231) 8.278 6.344 ( -1.736 -0.557 -3.977) 4.375 6.568 ( -2.056 1.516 -0.810) 2.680 6.598 ( 0.115 -0.551 5.373) 5.402 7.172 ( 5.387 2.222 -9.803) 11.404 ======================= Grid point 150 (67/160) ======================= q-point: (-0.11 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -16.995 0.115 -6.710) 18.272 1.467 ( -13.802 -0.127 -2.875) 14.099 1.779 ( 5.826 0.222 1.861) 6.120 1.889 ( 2.140 -6.617 -3.890) 7.968 2.076 ( 2.252 -1.794 -6.208) 6.843 2.279 ( 4.479 -9.937 -4.119) 11.653 2.468 ( -0.025 -1.178 -2.142) 2.445 2.704 ( 1.975 1.472 -8.811) 9.149 2.820 ( -7.640 3.767 8.060) 11.727 2.907 ( 6.717 3.456 1.075) 7.630 3.072 ( 6.275 1.048 -0.721) 6.403 3.109 ( -1.826 1.730 4.689) 5.321 3.202 ( -8.817 2.362 2.476) 9.458 3.418 ( -3.084 0.326 3.281) 4.515 3.709 ( -1.222 2.277 -0.333) 2.606 3.922 ( -2.209 -1.335 -0.055) 2.581 4.127 ( -1.487 1.570 2.008) 2.950 4.281 ( 3.855 5.003 -1.352) 6.459 4.487 ( -2.536 0.568 -0.103) 2.601 4.549 ( -5.897 2.725 -2.124) 6.835 4.676 ( -0.203 -1.030 -0.040) 1.050 4.804 ( -3.002 0.629 -6.111) 6.837 4.965 ( -0.036 -1.070 1.691) 2.002 5.103 ( 3.062 3.304 3.834) 5.915 5.162 ( 2.760 3.500 -1.455) 4.688 5.235 ( 0.396 -2.853 1.356) 3.184 5.307 ( 3.235 1.531 4.141) 5.473 5.373 ( -3.578 -5.856 2.311) 7.241 5.605 ( 3.762 0.581 -0.397) 3.828 5.640 ( 3.951 -0.120 -0.786) 4.031 5.744 ( 0.116 -1.036 -2.588) 2.790 6.054 ( 9.741 -4.755 3.057) 11.263 6.298 ( -2.264 -5.300 -4.703) 7.439 6.480 ( -4.956 3.435 -0.835) 6.087 6.673 ( 2.580 -1.008 8.803) 9.228 7.190 ( 5.912 1.410 -8.882) 10.762 ======================= Grid point 158 (68/160) ======================= q-point: (-0.22 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -16.145 -0.000 -6.959) 17.581 1.466 ( -18.511 -0.000 -5.370) 19.274 1.787 ( 7.099 0.000 -0.521) 7.118 1.818 ( 0.242 0.000 0.459) 0.519 2.087 ( 1.431 0.000 -11.415) 11.504 2.139 ( 4.350 0.000 -2.144) 4.850 2.459 ( 2.409 0.000 1.224) 2.702 2.718 ( 0.189 0.000 -10.114) 10.116 2.857 ( -11.686 -0.000 6.546) 13.394 2.961 ( 10.810 0.000 4.335) 11.647 3.037 ( 12.602 0.000 -0.338) 12.607 3.140 ( -2.634 -0.000 8.785) 9.171 3.231 ( -9.348 -0.000 1.887) 9.536 3.430 ( -4.384 -0.000 3.360) 5.523 3.742 ( -1.767 -0.000 -2.006) 2.673 3.893 ( -1.988 -0.000 0.745) 2.123 4.157 ( -0.998 -0.000 -0.428) 1.086 4.339 ( 3.426 0.000 -4.195) 5.416 4.491 ( -1.959 -0.000 2.074) 2.853 4.595 ( -9.441 -0.000 -3.432) 10.045 4.644 ( -1.283 -0.000 -0.135) 1.290 4.811 ( -2.807 -0.000 -6.662) 7.229 4.950 ( 0.704 0.000 3.152) 3.230 5.150 ( 5.635 0.000 1.888) 5.943 5.154 ( 2.476 0.000 6.400) 6.862 5.247 ( -8.717 -0.000 1.913) 8.925 5.261 ( -0.658 -0.000 -2.548) 2.631 5.363 ( 7.334 0.000 4.796) 8.763 5.591 ( 5.566 0.000 -0.306) 5.574 5.652 ( 1.788 0.000 -2.134) 2.784 5.738 ( 3.143 0.000 -2.128) 3.796 5.979 ( 13.906 0.000 3.393) 14.314 6.262 ( -4.745 -0.000 -4.406) 6.476 6.517 ( -5.203 -0.000 0.765) 5.259 6.665 ( 3.191 0.000 8.610) 9.182 7.204 ( 4.963 0.000 -11.878) 12.874 ======================= Grid point 159 (69/160) ======================= q-point: (-0.11 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -19.514 2.565 -5.332) 20.391 1.145 ( -19.112 -6.643 -4.613) 20.753 1.771 ( -5.877 -1.714 -0.203) 6.125 1.840 ( -15.435 -4.617 0.430) 16.116 1.993 ( 3.142 -1.078 -2.519) 4.168 2.278 ( 9.297 -2.429 1.953) 9.806 2.501 ( 2.867 1.002 0.675) 3.111 2.705 ( -7.237 0.074 4.720) 8.641 2.775 ( 11.588 0.146 -12.758) 17.236 3.059 ( -1.862 1.990 -3.081) 4.114 3.106 ( -4.137 3.180 5.075) 7.279 3.164 ( 5.885 6.291 3.914) 9.462 3.268 ( 11.915 0.502 0.583) 11.940 3.363 ( -3.311 -1.759 2.391) 4.447 3.715 ( 0.872 1.095 -3.159) 3.455 3.878 ( -1.280 -1.772 -1.560) 2.685 4.139 ( 0.212 1.030 1.482) 1.817 4.336 ( 0.205 1.574 -3.602) 3.936 4.433 ( -5.801 1.397 -2.696) 6.547 4.483 ( -1.856 0.755 3.394) 3.942 4.669 ( 0.747 -1.563 1.298) 2.165 4.708 ( -3.100 -0.380 -7.962) 8.553 4.961 ( -0.971 0.262 -0.155) 1.018 5.125 ( -6.521 -2.695 0.523) 7.075 5.214 ( 1.573 1.713 -1.771) 2.924 5.232 ( 3.363 1.137 5.748) 6.756 5.299 ( 1.320 -3.235 5.899) 6.856 5.464 ( 4.662 2.589 1.388) 5.510 5.656 ( 0.929 0.341 -0.690) 1.206 5.663 ( 3.170 -0.551 -0.956) 3.357 5.777 ( 3.060 2.288 -0.365) 3.838 6.156 ( -4.050 -0.522 -5.254) 6.654 6.228 ( 7.448 -4.628 5.788) 10.507 6.405 ( -7.538 2.215 0.594) 7.879 6.789 ( 6.885 0.627 7.341) 10.084 7.220 ( 5.167 -1.659 -11.920) 13.097 ======================= Grid point 168 (70/160) ======================= q-point: (-0.11 -0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -19.540 -0.000 -1.324) 19.585 0.734 ( -21.362 -0.000 0.652) 21.372 1.353 ( -34.897 -0.000 4.617) 35.201 1.673 ( -5.000 -0.000 0.189) 5.004 2.149 ( 9.233 0.000 3.641) 9.924 2.453 ( 9.786 0.000 3.173) 10.288 2.552 ( 2.290 0.000 0.841) 2.439 2.600 ( -5.229 -0.000 -1.556) 5.456 2.926 ( 8.135 0.000 -11.172) 13.820 3.023 ( 4.290 0.000 -2.434) 4.933 3.072 ( -5.733 -0.000 4.973) 7.589 3.201 ( -4.349 -0.000 0.017) 4.349 3.415 ( 6.390 0.000 2.938) 7.033 3.522 ( 15.777 0.000 0.572) 15.787 3.731 ( 3.718 0.000 -2.567) 4.518 3.811 ( -2.337 -0.000 -6.554) 6.958 4.181 ( 2.628 0.000 3.681) 4.523 4.307 ( -1.521 -0.000 -3.482) 3.800 4.351 ( -3.755 -0.000 -0.553) 3.795 4.483 ( -1.849 -0.000 4.058) 4.460 4.576 ( -5.340 -0.000 -4.721) 7.127 4.735 ( 4.378 0.000 0.256) 4.386 4.932 ( -2.436 -0.000 -2.494) 3.487 5.006 ( -5.041 -0.000 -0.804) 5.105 5.235 ( 0.958 0.000 -1.155) 1.501 5.316 ( -0.335 -0.000 3.568) 3.584 5.333 ( 1.717 0.000 7.192) 7.394 5.508 ( 1.289 0.000 -2.495) 2.808 5.682 ( 1.689 0.000 -2.991) 3.435 5.719 ( 3.240 0.000 3.381) 4.683 5.837 ( 2.029 0.000 0.495) 2.088 6.018 ( -6.328 -0.000 -9.067) 11.057 6.290 ( -8.240 -0.000 0.887) 8.288 6.296 ( -1.536 -0.000 2.572) 2.995 6.953 ( 6.017 0.000 0.501) 6.038 7.236 ( 8.205 0.000 -6.999) 10.785 ======================= Grid point 169 (71/160) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 3.239 0.000 17.548) 17.844 0.900 ( 7.405 0.000 17.759) 19.241 1.418 ( 0.960 0.000 27.513) 27.529 1.587 ( -0.928 -0.000 0.518) 1.063 2.200 ( -5.812 -0.000 1.153) 5.926 2.509 ( 0.660 0.000 -5.792) 5.830 2.509 ( -2.237 -0.000 -3.717) 4.338 2.687 ( 0.004 0.000 0.948) 0.948 2.846 ( 5.095 0.000 2.866) 5.845 2.903 ( -8.783 -0.000 0.351) 8.790 3.048 ( 1.856 0.000 -7.006) 7.247 3.100 ( -4.289 -0.000 -3.875) 5.780 3.341 ( 7.149 0.000 -3.870) 8.129 3.488 ( -3.306 -0.000 -4.145) 5.302 3.995 ( 10.988 0.000 -1.655) 11.112 4.155 ( -2.437 -0.000 -1.309) 2.766 4.191 ( -2.928 -0.000 4.197) 5.118 4.350 ( 12.937 0.000 1.800) 13.062 4.388 ( 3.453 0.000 2.574) 4.307 4.395 ( -5.912 -0.000 0.381) 5.924 4.484 ( 2.306 0.000 2.017) 3.063 4.570 ( -0.264 -0.000 2.582) 2.596 4.770 ( 2.251 0.000 -2.449) 3.327 4.818 ( -0.372 -0.000 -6.839) 6.849 4.976 ( 1.077 0.000 3.944) 4.089 5.207 ( -0.822 -0.000 -7.575) 7.619 5.256 ( -7.746 -0.000 -2.576) 8.163 5.376 ( -0.164 -0.000 2.548) 2.554 5.639 ( -5.191 -0.000 2.409) 5.723 5.785 ( -0.389 -0.000 0.034) 0.391 5.850 ( 2.761 0.000 1.915) 3.360 5.873 ( 4.779 0.000 -4.309) 6.435 6.117 ( -0.462 -0.000 -0.928) 1.037 6.159 ( -2.015 -0.000 1.439) 2.476 6.880 ( -1.342 -0.000 4.740) 4.926 7.632 ( 0.309 0.000 -0.641) 0.712 ======================= Grid point 170 (72/160) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 12.248 2.964 12.656) 17.860 1.194 ( 10.925 -6.309 14.210) 19.002 1.570 ( 2.652 0.537 5.402) 6.042 1.621 ( 2.185 -4.492 11.156) 12.224 2.101 ( -4.948 2.596 0.142) 5.589 2.444 ( -2.667 0.908 -3.957) 4.857 2.507 ( 0.369 -3.027 -1.206) 3.279 2.655 ( -7.129 -1.706 0.832) 7.378 2.795 ( -3.770 -1.286 0.506) 4.015 2.863 ( -1.671 0.853 -5.367) 5.686 3.040 ( -0.530 0.355 2.173) 2.265 3.135 ( 7.936 0.533 -2.542) 8.350 3.393 ( 5.877 1.514 -5.492) 8.185 3.438 ( -3.097 -4.424 -3.197) 6.276 4.045 ( -2.372 7.251 -1.492) 7.773 4.077 ( 1.655 6.207 -0.933) 6.491 4.204 ( -3.557 -2.105 3.024) 5.121 4.378 ( 1.299 0.333 1.035) 1.694 4.407 ( 2.556 -0.882 0.722) 2.799 4.450 ( 2.550 2.738 1.868) 4.182 4.597 ( -0.777 -6.189 0.899) 6.302 4.721 ( 4.914 -5.703 -1.795) 7.739 4.770 ( 7.047 1.904 -2.707) 7.785 4.860 ( 3.976 -7.455 -6.031) 10.381 5.028 ( 1.008 0.380 3.310) 3.481 5.137 ( -0.789 0.148 -1.363) 1.582 5.199 ( -0.405 -4.129 -6.933) 8.080 5.377 ( -0.932 0.815 1.676) 2.084 5.554 ( -4.253 1.417 0.549) 4.517 5.731 ( -2.578 2.763 -0.097) 3.780 5.865 ( -1.630 1.032 0.770) 2.077 5.974 ( 6.645 -4.902 -1.942) 8.483 6.184 ( 5.961 0.991 -0.134) 6.045 6.224 ( 8.966 -4.472 -0.496) 10.031 6.860 ( -3.832 1.329 3.755) 5.527 7.512 ( -9.224 7.319 -0.585) 11.789 ======================= Grid point 171 (73/160) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 10.154 2.151 5.203) 11.611 1.427 ( 3.866 0.593 12.836) 13.418 1.657 ( 5.519 -3.869 1.214) 6.849 1.791 ( 10.521 -4.793 -3.350) 12.037 2.026 ( -1.158 1.239 -0.449) 1.754 2.342 ( -3.724 5.529 -2.848) 7.249 2.519 ( -9.558 -0.173 0.119) 9.560 2.581 ( 1.087 -6.890 3.671) 7.882 2.741 ( -4.683 0.011 -1.346) 4.873 2.838 ( -2.086 -5.905 -0.136) 6.264 3.024 ( -1.219 1.635 -0.196) 2.049 3.242 ( 7.560 2.435 -0.681) 7.972 3.386 ( -5.121 -3.610 -3.929) 7.396 3.479 ( 6.960 0.181 -2.989) 7.577 3.921 ( -3.475 5.111 0.265) 6.186 4.006 ( -2.130 5.294 -0.292) 5.714 4.162 ( -3.757 -0.796 1.037) 3.978 4.371 ( -1.379 2.778 0.843) 3.215 4.406 ( 0.688 3.081 -1.929) 3.699 4.520 ( 2.306 -2.292 1.004) 3.403 4.665 ( 0.359 -6.336 0.883) 6.407 4.711 ( -2.417 -2.785 -1.959) 4.176 4.846 ( 1.270 -4.041 -4.455) 6.147 4.936 ( 0.855 1.992 -0.773) 2.302 5.056 ( 2.189 -4.155 -0.727) 4.753 5.185 ( 0.772 -1.702 -6.851) 7.101 5.223 ( 3.626 -2.295 5.557) 7.022 5.338 ( -3.135 0.950 -0.236) 3.285 5.517 ( 1.408 2.433 1.400) 3.140 5.688 ( -0.735 -0.229 1.017) 1.276 5.821 ( -2.090 0.775 -0.927) 2.414 6.110 ( 3.980 -5.433 -2.937) 7.347 6.317 ( 12.090 2.640 2.239) 12.576 6.434 ( 10.747 -4.259 0.160) 11.562 6.775 ( -6.314 1.882 2.464) 7.034 7.236 ( -11.403 11.908 -2.810) 16.725 ======================= Grid point 172 (74/160) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 2.911 0.063 -1.920) 3.488 1.512 ( 6.368 2.658 4.534) 8.257 1.781 ( 2.392 -1.865 2.273) 3.790 1.967 ( 5.480 0.737 -4.125) 6.899 2.062 ( 8.861 -5.575 -5.767) 11.952 2.209 ( -3.167 7.879 -0.849) 8.534 2.379 ( -4.866 2.784 -0.718) 5.652 2.635 ( -4.753 -5.989 -5.009) 9.141 2.689 ( -0.941 -1.693 4.197) 4.623 2.861 ( -3.189 -6.366 2.585) 7.575 2.955 ( -2.364 2.495 -6.061) 6.968 3.258 ( -3.486 1.947 -0.701) 4.054 3.381 ( 4.579 -0.352 1.684) 4.892 3.557 ( 1.463 -1.157 2.532) 3.144 3.838 ( -4.098 1.847 -0.081) 4.496 3.953 ( -2.277 -0.069 2.352) 3.274 4.131 ( -0.708 -0.379 0.170) 0.821 4.306 ( -1.782 2.872 -0.369) 3.400 4.372 ( -1.217 0.762 -0.405) 1.492 4.542 ( -1.644 -1.897 -0.840) 2.647 4.696 ( 0.036 -1.185 -3.618) 3.807 4.726 ( -1.197 -5.101 0.622) 5.276 4.874 ( 1.004 -3.853 -3.205) 5.111 4.927 ( 0.558 -0.148 0.480) 0.751 5.116 ( -1.449 0.211 -3.654) 3.936 5.140 ( 1.407 -2.747 0.755) 3.177 5.274 ( -1.417 2.522 -0.581) 2.951 5.346 ( 3.487 -1.422 5.565) 6.719 5.542 ( 3.139 2.519 0.660) 4.079 5.715 ( 0.323 -2.525 0.032) 2.546 5.781 ( -0.952 0.734 -1.579) 1.984 6.159 ( -1.891 -4.792 -1.548) 5.379 6.464 ( 7.742 7.334 -0.749) 10.690 6.640 ( 6.223 -1.934 4.341) 7.830 6.680 ( -3.182 0.600 5.292) 6.204 6.957 ( -3.221 10.456 -7.459) 13.241 ======================= Grid point 173 (75/160) ======================= q-point: (-0.56 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -1.213 0.797 -3.105) 3.427 1.629 ( 5.008 0.954 0.245) 5.104 1.734 ( -4.117 4.191 0.435) 5.891 1.961 ( 1.373 2.403 -7.895) 8.366 2.052 ( -1.603 8.734 -4.971) 10.177 2.282 ( 7.967 -7.020 -1.197) 10.686 2.356 ( 7.344 4.338 -2.808) 8.980 2.590 ( -2.185 -3.880 -2.432) 5.073 2.689 ( -3.025 -1.962 -1.621) 3.953 2.834 ( -5.727 -2.251 -5.510) 8.260 2.916 ( 0.593 -3.634 1.046) 3.827 3.192 ( -3.457 -0.349 2.850) 4.494 3.454 ( -0.974 2.207 6.036) 6.500 3.539 ( -4.826 0.784 4.197) 6.444 3.757 ( -3.939 -0.638 1.468) 4.252 3.926 ( -3.094 -1.551 0.956) 3.590 4.148 ( 1.133 -1.119 0.545) 1.683 4.252 ( -1.452 3.324 0.034) 3.627 4.394 ( 0.732 -3.241 -0.897) 3.441 4.532 ( -0.475 -1.921 1.455) 2.456 4.661 ( -1.999 -1.113 -2.472) 3.369 4.732 ( -2.453 -2.653 -2.900) 4.633 4.911 ( 0.032 -6.554 -2.722) 7.097 4.991 ( 5.567 -0.934 2.580) 6.206 5.037 ( -2.489 1.834 -3.490) 4.663 5.236 ( 0.648 0.496 2.178) 2.326 5.273 ( 6.763 -2.945 -0.256) 7.381 5.423 ( 2.207 0.197 4.418) 4.942 5.573 ( 2.700 1.532 -0.687) 3.180 5.687 ( -3.197 1.196 -2.954) 4.515 5.759 ( -0.347 0.923 -2.199) 2.410 6.128 ( -8.446 -5.968 3.402) 10.887 6.449 ( 2.755 7.088 -3.049) 8.193 6.515 ( -5.163 7.591 -1.153) 9.252 6.842 ( 5.714 2.353 9.255) 11.128 6.933 ( 9.043 0.777 -6.120) 10.946 ======================= Grid point 174 (76/160) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -8.395 6.250 -0.482) 10.477 1.502 ( -9.159 7.113 1.295) 11.669 1.790 ( 5.953 -1.629 -1.822) 6.435 1.916 ( 2.283 3.699 -3.648) 5.675 1.973 ( 3.534 2.714 -8.092) 9.238 2.411 ( 3.718 2.963 -4.492) 6.540 2.455 ( 8.832 -1.009 0.785) 8.924 2.500 ( -5.937 6.437 -4.368) 9.786 2.734 ( 6.140 -10.100 -3.001) 12.195 2.770 ( -1.883 -6.200 -8.230) 10.474 2.960 ( -1.157 -1.636 3.501) 4.034 3.163 ( -6.253 -2.054 4.326) 7.877 3.293 ( -12.511 0.650 7.094) 14.396 3.552 ( -1.164 1.672 6.679) 6.982 3.747 ( 0.075 -0.169 2.685) 2.691 3.898 ( -2.831 -1.895 0.220) 3.414 4.160 ( -0.518 -0.033 0.997) 1.124 4.238 ( 0.918 -0.007 -0.816) 1.229 4.390 ( -0.391 -1.112 -2.357) 2.636 4.534 ( -2.452 -0.420 -0.343) 2.512 4.652 ( -1.451 -1.038 -3.134) 3.606 4.703 ( 0.921 -0.045 0.746) 1.186 4.948 ( -2.845 -1.728 -5.180) 6.157 4.996 ( 2.083 -4.955 -0.068) 5.376 5.126 ( 6.284 -2.664 3.038) 7.471 5.277 ( 3.067 -0.080 1.332) 3.344 5.367 ( -0.347 0.501 -0.807) 1.011 5.493 ( 2.030 -0.660 4.125) 4.644 5.535 ( 0.636 1.379 -4.737) 4.975 5.652 ( 0.430 -0.853 0.277) 0.995 5.719 ( -1.077 1.966 -2.752) 3.549 6.078 ( -5.833 -6.955 2.529) 9.423 6.406 ( -1.765 2.502 -0.804) 3.165 6.419 ( 3.646 7.145 -2.692) 8.461 6.902 ( 0.389 2.882 7.580) 8.119 7.054 ( 9.817 3.372 -5.211) 11.614 ======================= Grid point 175 (77/160) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -10.218 9.271 4.793) 14.606 1.280 ( -10.158 9.601 3.502) 14.410 1.813 ( -3.740 4.679 -1.609) 6.202 1.936 ( 6.434 -3.908 -1.201) 7.624 1.974 ( -6.153 7.841 -1.352) 10.058 2.284 ( 3.263 0.284 -4.605) 5.651 2.480 ( 2.800 -2.398 -4.652) 5.936 2.632 ( 12.934 4.110 0.831) 13.597 2.741 ( -3.851 -3.628 -5.743) 7.809 2.902 ( -1.832 -7.193 1.293) 7.534 3.003 ( 4.192 -8.874 2.403) 10.104 3.074 ( -4.039 -3.187 0.600) 5.180 3.235 ( -1.821 -1.897 3.059) 4.033 3.501 ( -6.347 2.069 5.073) 8.385 3.771 ( 3.690 4.180 1.539) 5.784 3.860 ( -3.948 -0.793 -0.956) 4.139 4.185 ( 2.547 0.000 3.280) 4.153 4.235 ( -1.083 -2.638 -2.105) 3.544 4.373 ( -1.882 0.331 -2.230) 2.936 4.520 ( 0.237 -1.506 1.306) 2.008 4.607 ( -1.245 2.287 -0.813) 2.728 4.728 ( 1.454 1.421 1.113) 2.318 4.872 ( -3.023 -0.463 -5.360) 6.171 5.095 ( 0.295 -7.333 -0.620) 7.365 5.187 ( -2.078 4.750 -4.494) 6.861 5.281 ( 1.111 -1.996 1.195) 2.578 5.350 ( -0.144 -2.743 0.544) 2.800 5.496 ( 0.279 0.596 2.024) 2.129 5.628 ( 1.470 1.020 -1.516) 2.345 5.652 ( 6.216 0.544 -0.835) 6.295 5.707 ( 0.308 -3.719 -0.669) 3.791 6.054 ( -5.473 -2.520 -1.810) 6.291 6.368 ( -6.383 -4.381 2.509) 8.138 6.428 ( 5.975 6.502 0.530) 8.846 6.915 ( -0.132 0.318 5.182) 5.194 7.118 ( 9.716 7.593 -7.534) 14.451 ======================= Grid point 176 (78/160) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -7.247 8.898 10.995) 15.892 1.052 ( -9.593 12.235 10.482) 18.751 1.592 ( -18.338 10.706 5.911) 22.042 1.707 ( -6.458 4.486 0.163) 7.865 2.122 ( 7.750 -7.110 0.368) 10.524 2.454 ( 8.797 -5.452 -0.548) 10.364 2.509 ( -0.189 -2.320 -2.888) 3.710 2.639 ( -2.452 3.790 -0.268) 4.522 2.807 ( 8.716 3.214 -1.234) 9.371 2.941 ( 2.380 -6.005 -0.163) 6.462 3.032 ( -2.299 -4.726 -0.684) 5.300 3.179 ( -3.683 -9.045 0.528) 9.781 3.315 ( 5.405 -0.306 -3.568) 6.483 3.414 ( 3.458 -0.610 -2.261) 4.177 3.773 ( -5.644 0.277 0.220) 5.655 3.828 ( 7.138 3.393 2.756) 8.370 4.228 ( -0.102 -0.436 -2.911) 2.945 4.266 ( 3.858 -0.008 4.152) 5.668 4.331 ( -2.375 -0.980 -0.006) 2.569 4.528 ( -2.904 -1.861 1.820) 3.899 4.567 ( -0.023 3.962 1.889) 4.389 4.741 ( 0.022 -0.330 -0.603) 0.687 4.811 ( -2.171 -1.071 -4.612) 5.209 5.003 ( -7.877 0.395 -3.588) 8.665 5.164 ( -0.344 1.279 -3.937) 4.154 5.301 ( -1.559 -3.440 -0.311) 3.790 5.382 ( 0.828 -2.389 -3.102) 4.002 5.492 ( -1.858 1.204 1.064) 2.456 5.639 ( 3.953 1.409 -0.870) 4.286 5.721 ( 2.173 -1.942 -1.362) 3.217 5.779 ( 1.009 -2.936 -0.175) 3.110 5.920 ( -5.132 5.271 -3.244) 8.040 6.300 ( -7.324 -1.728 2.646) 7.977 6.402 ( -5.077 3.776 1.232) 6.446 6.925 ( -0.503 2.396 -1.084) 2.677 7.234 ( 15.142 1.031 -1.853) 15.290 ======================= Grid point 177 (79/160) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -1.500 8.583 16.704) 18.840 0.876 ( -9.934 5.905 16.877) 20.454 1.342 ( -8.742 5.443 22.107) 24.388 1.617 ( -2.296 1.734 0.206) 2.885 2.249 ( -0.724 -4.306 -0.852) 4.448 2.504 ( 1.995 -0.927 -3.547) 4.174 2.545 ( 0.730 -0.167 -3.042) 3.133 2.653 ( 3.696 -0.422 1.665) 4.076 2.803 ( -2.262 1.532 2.763) 3.885 3.011 ( -5.140 -3.495 0.068) 6.216 3.115 ( -6.424 0.966 -2.486) 6.956 3.146 ( 13.123 -2.129 -1.624) 13.393 3.238 ( -3.355 -1.115 -9.461) 10.100 3.556 ( 4.184 2.075 -9.312) 10.417 3.785 ( 7.999 -4.495 3.792) 9.929 3.992 ( 9.342 -5.814 5.364) 12.241 4.214 ( 1.905 3.274 -1.987) 4.277 4.293 ( -2.984 -1.274 -0.619) 3.304 4.339 ( 2.936 2.348 3.625) 5.223 4.500 ( -4.895 -3.637 2.590) 6.626 4.565 ( 0.416 2.654 4.579) 5.309 4.646 ( -13.909 -1.082 -5.073) 14.845 4.764 ( -0.700 0.780 -3.702) 3.847 4.895 ( -2.551 0.829 -3.555) 4.454 5.026 ( -3.664 10.505 -4.657) 12.061 5.282 ( -4.041 -2.159 -7.686) 8.948 5.362 ( -0.647 -0.551 1.268) 1.527 5.407 ( -5.830 3.002 -2.324) 6.957 5.687 ( -2.516 0.309 3.068) 3.980 5.728 ( 3.528 2.868 3.022) 5.460 5.778 ( 1.370 -5.931 -3.040) 6.804 5.879 ( 2.996 4.590 -1.956) 5.820 6.196 ( -6.403 1.432 0.844) 6.615 6.252 ( -8.553 2.073 1.026) 8.860 6.881 ( -0.758 1.873 1.270) 2.386 7.498 ( 12.308 -4.590 0.683) 13.153 ======================= Grid point 179 (80/160) ======================= q-point: ( 0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 8.292 0.000 4.657) 9.510 1.389 ( 9.564 0.000 10.445) 14.163 1.621 ( 5.279 0.000 0.178) 5.282 1.759 ( 9.564 0.000 2.359) 9.851 2.048 ( -2.236 -0.000 -1.464) 2.673 2.394 ( -1.825 -0.000 1.366) 2.280 2.491 ( -0.933 -0.000 0.749) 1.197 2.513 ( -9.077 -0.000 1.394) 9.183 2.746 ( -2.182 -0.000 0.175) 2.189 2.781 ( -3.942 -0.000 -3.194) 5.073 3.036 ( -1.088 -0.000 -0.639) 1.261 3.272 ( 8.261 0.000 -1.636) 8.421 3.342 ( -4.198 -0.000 -1.730) 4.541 3.481 ( 6.199 0.000 -3.256) 7.003 4.014 ( -5.492 -0.000 2.039) 5.858 4.087 ( -8.518 -0.000 0.694) 8.546 4.097 ( -1.064 -0.000 -4.715) 4.833 4.400 ( 0.487 0.000 3.042) 3.081 4.463 ( 3.661 0.000 0.423) 3.685 4.504 ( 0.225 0.000 -1.070) 1.094 4.569 ( 1.764 0.000 0.539) 1.844 4.663 ( -2.587 -0.000 -4.278) 4.999 4.795 ( 0.190 0.000 -3.889) 3.893 4.988 ( 9.692 0.000 -0.207) 9.695 4.999 ( -4.028 -0.000 -0.989) 4.147 5.169 ( 2.790 0.000 -7.626) 8.120 5.201 ( 5.180 0.000 6.819) 8.564 5.350 ( -2.619 -0.000 -0.166) 2.624 5.537 ( 0.244 0.000 1.608) 1.627 5.691 ( -3.278 -0.000 0.160) 3.282 5.825 ( -2.691 -0.000 -1.332) 3.003 6.049 ( 5.459 0.000 -1.823) 5.755 6.350 ( 12.325 0.000 2.350) 12.547 6.390 ( 12.978 0.000 1.651) 13.082 6.793 ( -7.608 -0.000 2.323) 7.955 7.353 ( -12.228 -0.000 -3.510) 12.722 ======================= Grid point 180 (81/160) ======================= q-point: ( 0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 5.220 3.633 -0.692) 6.398 1.533 ( 3.819 -1.138 3.097) 5.047 1.745 ( 7.319 -1.826 -1.286) 7.652 1.931 ( 12.264 -2.177 -8.256) 14.943 2.034 ( 2.018 0.999 -0.674) 2.351 2.362 ( -4.173 7.370 0.818) 8.509 2.371 ( -5.256 -0.877 3.659) 6.464 2.507 ( -2.571 -7.157 -1.349) 7.724 2.704 ( -1.391 1.262 1.638) 2.491 2.764 ( -1.167 -3.047 3.185) 4.559 2.992 ( -1.946 1.145 -6.399) 6.785 3.258 ( -5.813 -0.910 -0.914) 5.955 3.386 ( 7.440 0.448 0.483) 7.469 3.539 ( 0.479 -0.578 2.904) 3.000 3.906 ( -5.197 4.845 0.974) 7.171 3.958 ( -6.295 -0.123 1.269) 6.423 4.073 ( -1.981 -4.200 -2.615) 5.330 4.399 ( -0.418 3.161 1.325) 3.453 4.423 ( -1.366 6.151 -3.260) 7.094 4.545 ( 2.473 0.300 0.110) 2.494 4.610 ( -0.743 -4.925 -0.536) 5.010 4.647 ( 0.690 -3.870 -2.526) 4.673 4.784 ( -0.236 -3.686 -4.724) 5.997 4.932 ( -3.037 -0.313 0.107) 3.055 5.096 ( 2.975 -0.793 2.401) 3.904 5.166 ( 1.111 3.033 -3.218) 4.560 5.308 ( -1.000 0.897 -0.448) 1.416 5.317 ( 3.227 -1.360 4.514) 5.713 5.568 ( 2.538 0.595 0.876) 2.750 5.662 ( -1.360 -2.265 1.391) 2.985 5.783 ( -1.207 -0.176 -2.057) 2.391 6.089 ( -1.571 -2.172 -0.868) 2.818 6.571 ( 9.732 4.458 1.933) 10.877 6.619 ( 12.006 -0.555 4.664) 12.892 6.662 ( -5.801 -2.117 2.863) 6.806 7.121 ( -7.952 5.273 -8.276) 12.631 ======================= Grid point 181 (82/160) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 2.836 4.782 -3.472) 6.555 1.631 ( 6.876 -0.919 -4.667) 8.362 1.816 ( 1.501 2.510 -0.260) 2.936 2.012 ( 2.470 3.987 -4.907) 6.788 2.122 ( 5.511 -5.141 -2.539) 7.953 2.219 ( -4.188 4.537 -1.574) 6.372 2.349 ( 0.402 -3.479 -4.144) 5.425 2.524 ( 0.665 -2.136 -0.088) 2.238 2.706 ( 0.904 0.338 1.084) 1.451 2.784 ( -2.747 -1.364 4.245) 5.237 2.897 ( -1.232 1.362 -7.517) 7.738 3.173 ( -5.761 -1.584 1.165) 6.087 3.503 ( 3.926 2.127 5.141) 6.809 3.539 ( -3.601 -0.919 6.055) 7.105 3.773 ( -7.209 2.639 -0.655) 7.705 3.895 ( -3.912 -1.731 1.406) 4.503 4.097 ( 0.561 -3.987 0.685) 4.084 4.332 ( -0.818 4.854 -1.740) 5.221 4.377 ( 0.463 1.351 0.749) 1.613 4.548 ( 1.183 3.666 1.375) 4.090 4.635 ( -1.532 -2.411 -4.959) 5.722 4.662 ( -0.415 -3.670 -0.725) 3.764 4.791 ( -1.514 -5.800 -4.737) 7.640 4.950 ( 2.714 -3.668 0.976) 4.666 5.093 ( -1.940 2.585 -0.140) 3.235 5.201 ( 4.819 -0.741 3.223) 5.845 5.279 ( 0.900 1.248 -1.704) 2.296 5.391 ( 0.374 -3.154 2.728) 4.187 5.599 ( 2.100 1.321 0.483) 2.527 5.681 ( -0.904 -1.700 -1.062) 2.199 5.764 ( -0.100 0.068 -2.110) 2.113 6.019 ( -11.112 -4.541 3.082) 12.393 6.461 ( -8.869 0.089 0.820) 8.907 6.736 ( 7.338 8.893 -1.791) 11.668 6.876 ( 12.476 0.382 6.209) 13.941 6.966 ( 1.272 3.249 -7.279) 8.072 ======================= Grid point 182 (83/160) ======================= q-point: (-0.56 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -0.446 7.388 -1.389) 7.531 1.651 ( -1.867 5.402 -2.280) 6.153 1.788 ( 3.100 3.942 -1.441) 5.218 1.970 ( 1.222 2.439 -6.678) 7.214 2.059 ( -0.784 6.259 -5.615) 8.445 2.297 ( 2.885 -11.503 -2.679) 12.158 2.395 ( 4.531 -2.863 -4.836) 7.219 2.582 ( 2.057 -5.244 -1.193) 5.758 2.695 ( -1.115 8.504 -0.164) 8.579 2.730 ( -0.208 -0.250 -4.660) 4.671 2.905 ( 1.509 -3.560 1.929) 4.321 3.136 ( -2.742 -1.463 4.454) 5.431 3.360 ( -14.298 6.673 6.858) 17.204 3.594 ( -0.992 2.850 6.256) 6.946 3.691 ( -0.667 -4.666 1.664) 4.998 3.864 ( -2.747 -1.865 -0.294) 3.333 4.146 ( 0.789 -1.750 2.238) 2.948 4.266 ( -2.182 2.451 -2.358) 4.041 4.398 ( 2.246 1.521 -0.674) 2.795 4.535 ( -1.830 0.936 -0.987) 2.281 4.628 ( 2.460 -0.868 1.919) 3.239 4.679 ( 0.121 -2.330 -0.671) 2.428 4.812 ( -1.114 -8.173 -3.608) 9.003 5.008 ( -0.339 1.405 -2.395) 2.798 5.092 ( 4.731 -1.296 3.066) 5.784 5.258 ( 0.809 -1.482 2.103) 2.698 5.360 ( 5.265 -0.987 -0.910) 5.433 5.431 ( -0.279 -5.289 1.520) 5.510 5.586 ( -3.922 3.353 -5.274) 7.378 5.639 ( 0.540 0.145 1.351) 1.462 5.742 ( -1.620 0.331 -1.784) 2.432 5.922 ( -8.332 -8.602 3.513) 12.480 6.357 ( -5.782 -1.529 1.058) 6.073 6.682 ( 5.314 13.115 -9.506) 17.047 6.967 ( 1.492 3.595 4.814) 6.191 7.087 ( 10.721 0.492 -0.475) 10.743 ======================= Grid point 183 (84/160) ======================= q-point: (-0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -5.526 12.576 1.310) 13.799 1.496 ( -5.759 12.808 4.879) 14.867 1.832 ( 3.459 -2.589 -2.263) 4.877 1.932 ( -0.800 3.559 -3.832) 5.291 2.030 ( 4.184 -0.481 -4.876) 6.443 2.381 ( 0.862 -2.169 -9.299) 9.588 2.451 ( -1.642 5.676 -1.687) 6.144 2.556 ( 1.459 -5.947 1.410) 6.283 2.695 ( 3.034 -3.936 -4.914) 6.989 2.780 ( 8.024 -4.279 -4.166) 10.002 2.943 ( -4.671 0.469 7.042) 8.463 3.066 ( -7.073 4.334 5.113) 9.744 3.213 ( -0.399 -1.274 3.537) 3.780 3.522 ( -7.998 0.552 6.215) 10.144 3.795 ( 4.383 -2.915 2.078) 5.659 3.833 ( -2.346 -0.648 -0.824) 2.570 4.180 ( 0.230 -1.487 1.117) 1.874 4.203 ( -1.270 0.170 -0.501) 1.376 4.408 ( 0.847 3.094 -1.657) 3.611 4.498 ( -0.093 -0.482 0.954) 1.073 4.655 ( 1.454 2.517 0.294) 2.921 4.735 ( 1.968 -0.849 2.038) 2.957 4.837 ( -3.462 -5.686 -3.954) 7.743 4.975 ( -1.213 -2.450 0.187) 2.740 5.219 ( 5.912 -1.379 1.471) 6.247 5.288 ( -4.738 2.544 -5.759) 7.880 5.302 ( -2.077 -2.394 2.019) 3.758 5.468 ( -1.840 -3.774 1.335) 4.406 5.583 ( 5.264 -2.785 -0.813) 6.011 5.671 ( 1.068 -0.338 1.014) 1.511 5.688 ( -1.159 1.038 -2.479) 2.927 5.956 ( 0.323 -7.498 0.311) 7.512 6.305 ( -3.988 -2.399 1.296) 4.832 6.596 ( 3.460 10.450 -7.206) 13.157 6.951 ( -2.066 3.449 4.146) 5.775 7.213 ( 8.153 2.654 -3.962) 9.445 ======================= Grid point 184 (85/160) ======================= q-point: (-0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -4.944 12.201 5.240) 14.170 1.303 ( -6.851 14.445 8.610) 18.158 1.797 ( -4.011 6.369 0.511) 7.544 1.889 ( -13.439 15.399 0.432) 20.443 1.983 ( 5.562 -6.788 0.781) 8.810 2.369 ( 8.211 -1.906 -1.207) 8.515 2.457 ( 1.355 -4.194 -5.187) 6.807 2.621 ( -1.679 -5.613 -4.614) 7.457 2.833 ( 1.035 2.178 5.286) 5.810 2.844 ( 3.870 -5.123 -0.937) 6.488 2.962 ( 3.715 -10.641 1.689) 11.397 3.022 ( -0.085 1.527 0.626) 1.653 3.296 ( 8.684 -1.766 -2.495) 9.206 3.407 ( -9.260 -0.047 4.163) 10.153 3.783 ( -3.560 0.542 -1.039) 3.748 3.870 ( 3.333 0.049 -0.949) 3.466 4.194 ( 0.322 -2.763 1.660) 3.239 4.251 ( 2.994 -1.130 2.295) 3.938 4.367 ( 1.234 4.883 0.261) 5.043 4.510 ( -2.554 -0.609 1.889) 3.235 4.664 ( 2.751 5.301 2.398) 6.436 4.728 ( -4.353 -0.572 0.290) 4.400 4.773 ( -4.161 -2.859 -4.452) 6.731 4.978 ( -2.474 -2.485 -1.292) 3.737 5.191 ( 0.748 1.090 -2.321) 2.671 5.259 ( -3.942 -0.868 -0.904) 4.136 5.343 ( 3.797 -1.728 -0.975) 4.284 5.484 ( -1.089 -2.554 -0.167) 2.782 5.645 ( -0.012 -0.916 -2.817) 2.962 5.667 ( 0.914 -2.667 1.933) 3.418 5.744 ( 4.360 -1.249 0.879) 4.620 5.996 ( 0.864 1.548 -3.032) 3.513 6.279 ( -2.495 -1.043 1.104) 2.921 6.503 ( -2.691 7.194 -3.161) 8.306 6.924 ( -0.821 -0.964 1.983) 2.353 7.269 ( 5.918 1.694 -6.477) 8.935 ======================= Grid point 185 (86/160) ======================= q-point: (-0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -0.319 9.877 11.547) 15.198 1.090 ( -9.513 14.432 10.856) 20.412 1.555 ( -8.532 16.106 12.001) 21.823 1.689 ( -2.245 6.732 2.744) 7.608 2.127 ( 1.237 -7.696 0.655) 7.822 2.478 ( 0.515 -2.113 -2.278) 3.150 2.519 ( 4.368 -2.216 -0.836) 4.969 2.616 ( 0.673 -5.007 -2.452) 5.616 2.788 ( -4.484 -2.774 3.787) 6.491 3.003 ( 0.677 2.587 -1.182) 2.924 3.067 ( 9.645 -5.389 -2.972) 11.442 3.071 ( 2.565 -3.934 -2.987) 5.566 3.258 ( -8.033 2.072 0.471) 8.309 3.533 ( 14.096 -7.579 -4.328) 16.579 3.702 ( -3.870 0.617 1.223) 4.105 3.927 ( 3.415 -2.660 -0.905) 4.423 4.246 ( 2.593 -0.558 1.532) 3.063 4.280 ( -0.986 0.861 -0.554) 1.421 4.394 ( 4.801 3.925 4.090) 7.428 4.449 ( -5.643 -0.879 1.665) 5.949 4.614 ( -7.266 0.155 0.328) 7.275 4.654 ( -0.138 2.471 0.166) 2.480 4.760 ( 1.682 0.556 -0.656) 1.889 4.960 ( 1.922 3.762 -0.524) 4.257 5.147 ( -4.477 1.838 -2.156) 5.298 5.239 ( 1.014 -2.640 -2.918) 4.063 5.368 ( -0.694 1.467 -2.580) 3.048 5.454 ( -2.638 0.905 -3.147) 4.205 5.667 ( 1.012 -4.958 -2.060) 5.464 5.705 ( 0.095 0.408 1.536) 1.592 5.782 ( -0.791 1.378 1.146) 1.959 5.966 ( 4.025 5.304 -3.132) 7.358 6.244 ( -1.388 3.164 0.206) 3.461 6.327 ( -7.944 6.128 -2.692) 10.388 6.919 ( -1.768 0.957 -0.837) 2.178 7.360 ( 4.804 -8.816 -2.159) 10.269 ======================= Grid point 186 (87/160) ======================= q-point: (-0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -1.770 6.968 15.467) 17.056 1.031 ( 6.466 9.037 16.556) 19.939 1.483 ( 1.217 7.067 16.302) 17.810 1.631 ( -0.490 5.328 3.829) 6.579 2.150 ( -4.760 -4.653 0.157) 6.658 2.478 ( -1.703 -2.644 -2.976) 4.330 2.536 ( 0.343 1.211 -1.762) 2.165 2.704 ( 2.526 -1.745 -1.395) 3.372 2.803 ( 2.869 -2.469 1.772) 4.179 2.927 ( -7.690 2.736 1.466) 8.293 3.054 ( 1.789 0.248 -5.535) 5.823 3.123 ( -5.079 2.376 -1.736) 5.870 3.279 ( 8.993 -5.157 -4.677) 11.373 3.557 ( -2.185 5.854 -4.191) 7.524 3.888 ( 10.328 -11.351 0.627) 15.359 4.008 ( 0.771 -6.477 -0.402) 6.535 4.235 ( -1.497 1.386 0.542) 2.111 4.304 ( 4.186 0.151 1.009) 4.309 4.405 ( -2.779 -1.550 4.070) 5.166 4.421 ( -1.442 0.331 0.620) 1.604 4.564 ( 6.474 2.842 -0.801) 7.115 4.679 ( 4.217 6.350 3.427) 8.358 4.753 ( 0.447 3.549 -0.630) 3.632 4.946 ( 2.620 7.564 -3.085) 8.578 5.035 ( -3.865 3.838 -0.404) 5.462 5.192 ( -1.296 3.219 -7.911) 8.639 5.336 ( -4.634 5.677 -6.030) 9.490 5.350 ( -0.168 -2.582 2.189) 3.389 5.630 ( -5.521 0.107 -0.183) 5.525 5.723 ( -0.860 -4.239 1.145) 4.474 5.820 ( 3.139 -1.823 2.481) 4.397 5.970 ( 3.931 6.567 -3.991) 8.632 6.162 ( -3.289 0.734 -0.398) 3.393 6.200 ( 2.167 7.811 -1.771) 8.297 6.877 ( -2.479 -0.369 2.461) 3.512 7.503 ( -1.323 -12.800 0.233) 12.871 ======================= Grid point 189 (88/160) ======================= q-point: ( 0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 2.612 0.000 -6.084) 6.621 1.591 ( 8.464 0.000 -3.651) 9.218 1.826 ( 5.570 0.000 -3.481) 6.568 2.026 ( 6.079 0.000 -4.917) 7.819 2.122 ( 6.870 0.000 0.772) 6.913 2.240 ( -9.205 -0.000 3.556) 9.868 2.315 ( -5.646 -0.000 -6.564) 8.659 2.508 ( 3.468 0.000 2.402) 4.219 2.689 ( -0.295 -0.000 0.358) 0.464 2.786 ( -0.033 -0.000 5.501) 5.501 2.924 ( -1.410 -0.000 -10.583) 10.676 3.151 ( -6.163 -0.000 1.298) 6.298 3.516 ( 6.130 0.000 1.279) 6.262 3.532 ( -3.449 -0.000 10.528) 11.078 3.814 ( -8.683 -0.000 -0.486) 8.697 3.874 ( -4.243 -0.000 1.058) 4.373 4.046 ( 1.633 0.000 0.927) 1.877 4.398 ( -4.490 -0.000 -3.805) 5.885 4.403 ( -0.492 -0.000 0.777) 0.920 4.576 ( 3.357 0.000 -2.145) 3.984 4.602 ( -1.739 -0.000 -1.530) 2.316 4.648 ( 5.165 0.000 -0.112) 5.166 4.730 ( -1.669 -0.000 -5.079) 5.346 4.889 ( -0.412 -0.000 1.572) 1.626 5.105 ( -1.905 -0.000 1.390) 2.359 5.225 ( 3.749 0.000 0.905) 3.857 5.293 ( -0.121 -0.000 -1.959) 1.963 5.343 ( -0.785 -0.000 2.079) 2.222 5.622 ( 2.705 0.000 0.047) 2.706 5.648 ( 0.145 0.000 2.448) 2.452 5.766 ( 0.590 0.000 -2.478) 2.548 5.976 ( -12.416 -0.000 2.768) 12.721 6.463 ( -10.027 -0.000 0.400) 10.035 6.826 ( 10.866 0.000 3.286) 11.352 6.863 ( 13.195 0.000 2.161) 13.371 7.010 ( -2.023 -0.000 -8.651) 8.885 ======================= Grid point 190 (89/160) ======================= q-point: (-0.67 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 3.799 4.009 -6.345) 8.412 1.689 ( 5.730 1.107 -6.528) 8.756 1.875 ( 2.669 1.831 -1.865) 3.736 2.059 ( -5.595 6.502 -0.934) 8.629 2.106 ( 2.028 -6.267 -2.458) 7.031 2.169 ( -2.767 3.556 -1.375) 4.711 2.311 ( 6.286 -5.073 -4.387) 9.192 2.536 ( -0.342 -0.837 -0.635) 1.105 2.710 ( 0.598 -1.181 0.624) 1.464 2.790 ( -1.275 2.166 2.662) 3.661 2.865 ( 1.537 -0.775 -6.146) 6.383 3.104 ( -1.550 -1.359 3.691) 4.228 3.479 ( -8.819 3.655 10.496) 14.188 3.620 ( 3.836 -0.376 -0.960) 3.972 3.660 ( -8.418 1.930 4.397) 9.691 3.832 ( -2.243 -1.159 0.439) 2.562 4.105 ( 2.014 -1.943 2.697) 3.886 4.290 ( -5.041 0.036 -4.636) 6.849 4.425 ( 3.431 1.077 1.845) 4.042 4.553 ( -2.016 0.355 -1.409) 2.485 4.631 ( 2.279 -2.125 -1.899) 3.649 4.652 ( -2.997 0.311 -0.615) 3.076 4.721 ( 4.083 1.936 -1.131) 4.658 4.973 ( 5.264 -5.359 0.705) 7.545 5.070 ( -2.700 -0.571 0.903) 2.904 5.249 ( -0.206 0.843 0.767) 1.158 5.341 ( 4.513 -1.247 0.394) 4.698 5.348 ( 0.576 -2.247 0.181) 2.327 5.637 ( -1.027 1.388 -3.541) 3.940 5.657 ( -0.915 1.711 1.269) 2.319 5.739 ( -7.576 -0.252 1.953) 7.828 5.792 ( -5.349 -4.651 0.503) 7.106 6.342 ( -5.783 -0.338 0.355) 5.804 6.871 ( 2.723 6.734 -12.465) 14.428 6.997 ( 4.859 -0.977 0.823) 5.024 7.095 ( 9.059 0.753 5.337) 10.541 ======================= Grid point 191 (90/160) ======================= q-point: (-0.56 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.920 10.743 0.016) 10.782 1.671 ( -0.413 5.267 -2.473) 5.834 1.841 ( -1.630 4.282 -0.423) 4.602 1.938 ( -1.165 -1.997 -4.897) 5.415 2.064 ( -3.326 2.963 -4.398) 6.260 2.247 ( 8.274 -6.980 -6.730) 12.747 2.420 ( 2.128 -5.414 2.651) 6.393 2.545 ( -1.149 -1.230 0.092) 1.685 2.690 ( -1.154 2.126 -3.513) 4.265 2.771 ( 4.427 3.045 -2.119) 5.776 2.924 ( 2.965 -1.947 2.173) 4.160 3.155 ( 2.425 -2.055 2.933) 4.325 3.253 ( -13.252 10.382 5.775) 17.798 3.534 ( -9.588 0.556 6.933) 11.845 3.716 ( 4.059 -3.507 2.896) 6.096 3.822 ( -0.573 -1.091 -1.074) 1.634 4.145 ( -1.906 -2.499 0.274) 3.155 4.202 ( -1.555 -0.337 -1.554) 2.224 4.466 ( 2.235 2.897 1.134) 3.831 4.518 ( -0.803 1.970 -0.243) 2.141 4.664 ( -1.224 -3.988 -0.575) 4.211 4.681 ( 2.751 -5.905 1.126) 6.611 4.755 ( 3.986 4.024 0.942) 5.742 4.993 ( -3.491 2.143 -0.004) 4.096 5.156 ( 5.641 -6.298 1.177) 8.536 5.258 ( -0.179 -1.350 1.177) 1.799 5.331 ( -4.202 1.040 -3.513) 5.575 5.391 ( -2.345 -2.836 1.158) 3.858 5.563 ( 3.962 0.127 -0.039) 3.964 5.656 ( -2.059 -1.211 0.130) 2.392 5.691 ( -0.629 -0.819 -0.102) 1.038 5.825 ( 2.912 -5.109 -1.704) 6.123 6.276 ( -3.478 -0.856 0.373) 3.601 6.770 ( 1.435 7.315 -11.725) 13.894 7.024 ( -1.210 3.615 2.119) 4.361 7.230 ( 5.842 -0.283 -0.465) 5.868 ======================= Grid point 192 (91/160) ======================= q-point: (-0.44 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -4.450 15.752 2.614) 16.575 1.557 ( -5.722 11.641 4.294) 13.664 1.837 ( 1.661 -3.356 1.276) 3.956 1.937 ( -0.843 3.073 -3.271) 4.566 2.005 ( 0.058 -3.837 -2.023) 4.338 2.353 ( 0.462 -3.939 -6.661) 7.752 2.448 ( -1.294 5.033 -1.371) 5.375 2.563 ( 2.357 -1.684 4.496) 5.348 2.670 ( 2.826 -6.307 -3.106) 7.577 2.861 ( 4.291 0.144 -0.416) 4.314 2.926 ( -1.584 4.354 4.899) 6.743 3.069 ( 0.446 3.674 1.309) 3.926 3.241 ( 2.973 -4.023 -0.011) 5.002 3.413 ( -8.626 0.543 5.615) 10.307 3.784 ( -2.230 -0.648 -2.173) 3.180 3.830 ( 2.027 -3.449 -0.299) 4.012 4.139 ( 0.096 -3.281 2.081) 3.886 4.240 ( 3.264 -0.201 3.183) 4.563 4.466 ( 1.602 4.276 0.894) 4.652 4.502 ( -1.031 0.348 1.964) 2.245 4.654 ( -4.129 -4.251 -1.454) 6.101 4.734 ( -1.900 -1.707 -1.432) 2.928 4.792 ( 1.980 5.660 4.998) 7.806 4.934 ( -0.148 -1.309 0.834) 1.559 5.207 ( -2.171 0.563 -2.777) 3.570 5.239 ( -2.070 -2.051 -0.995) 3.079 5.326 ( 5.632 -0.102 -1.331) 5.788 5.416 ( -0.310 -3.304 0.515) 3.358 5.623 ( -1.807 -1.598 -1.268) 2.725 5.635 ( 3.009 -0.532 1.462) 3.387 5.718 ( 1.904 -1.531 -0.081) 2.444 5.956 ( 6.586 -5.335 -1.851) 8.676 6.252 ( -0.661 -1.493 -0.237) 1.650 6.653 ( -0.753 7.934 -8.464) 11.626 6.939 ( -4.800 2.693 0.705) 5.549 7.274 ( 0.742 -1.071 -5.646) 5.795 ======================= Grid point 193 (92/160) ======================= q-point: (-0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -1.159 12.505 7.514) 14.635 1.347 ( -8.631 12.656 5.604) 16.312 1.776 ( -6.402 7.852 1.932) 10.313 1.922 ( -0.343 11.879 1.643) 11.997 1.998 ( 1.886 -3.637 0.964) 4.208 2.375 ( 2.174 -9.786 -1.340) 10.113 2.454 ( -0.932 -3.593 0.608) 3.761 2.551 ( -2.312 0.320 -0.384) 2.365 2.751 ( -1.124 -0.679 4.549) 4.734 2.928 ( 6.249 -8.315 -1.259) 10.477 3.019 ( 6.758 -0.530 -1.541) 6.951 3.094 ( 4.628 4.780 0.048) 6.654 3.270 ( -8.130 -1.600 4.199) 9.289 3.394 ( 8.747 -4.859 -2.927) 10.426 3.721 ( -4.324 -1.171 -2.437) 5.100 3.877 ( 2.591 -1.551 -2.811) 4.126 4.222 ( 3.357 -1.974 4.715) 6.115 4.301 ( 1.318 1.143 2.045) 2.688 4.452 ( -5.343 1.170 0.684) 5.512 4.484 ( 4.498 4.020 3.378) 6.914 4.590 ( -5.578 -1.339 -1.662) 5.972 4.675 ( -2.984 -0.554 2.216) 3.758 4.822 ( 5.395 5.594 3.051) 8.349 4.993 ( 3.323 -0.742 1.356) 3.665 5.162 ( -5.577 0.742 -2.804) 6.286 5.193 ( 1.195 -1.182 -2.052) 2.652 5.385 ( 1.557 -1.089 -3.067) 3.607 5.435 ( -0.684 -1.262 -0.754) 1.621 5.616 ( 0.778 -0.645 -0.854) 1.323 5.696 ( 1.895 -1.261 2.145) 3.128 5.762 ( -0.597 -2.654 2.117) 3.447 6.048 ( 5.406 2.306 -5.581) 8.105 6.279 ( 2.552 -0.184 -1.379) 2.907 6.477 ( -6.018 9.406 -5.393) 12.401 6.895 ( -1.116 -2.925 0.093) 3.132 7.222 ( -4.995 -5.341 -7.576) 10.530 ======================= Grid point 194 (93/160) ======================= q-point: (-0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -4.047 11.509 7.816) 14.489 1.192 ( 0.588 8.605 15.233) 17.505 1.639 ( -0.170 8.700 2.068) 8.944 1.816 ( 1.723 13.788 3.307) 14.283 2.056 ( -2.192 -4.844 1.417) 5.502 2.406 ( -4.798 -4.934 -0.032) 6.883 2.522 ( -1.410 -4.508 -1.996) 5.128 2.585 ( 5.801 -7.683 2.260) 9.889 2.794 ( 3.304 0.621 2.516) 4.199 3.002 ( -7.339 4.467 2.457) 8.936 3.036 ( 2.734 -2.763 -2.901) 4.850 3.163 ( -2.167 0.799 0.550) 2.374 3.211 ( 9.645 -0.201 -4.990) 10.861 3.624 ( 1.237 -3.011 -3.529) 4.801 3.672 ( 5.924 -8.189 2.321) 10.370 3.921 ( 2.358 -1.875 -3.928) 4.950 4.259 ( -3.920 1.711 -1.897) 4.679 4.315 ( 4.626 0.448 2.290) 5.181 4.373 ( -2.670 -0.326 3.101) 4.105 4.480 ( -3.193 3.920 0.935) 5.142 4.588 ( 5.735 0.507 1.753) 6.018 4.704 ( 2.251 -0.749 4.503) 5.090 4.861 ( 4.143 5.852 0.942) 7.232 5.036 ( 0.277 1.390 -4.124) 4.361 5.060 ( -1.945 1.951 2.387) 3.645 5.239 ( 2.135 -3.192 -0.104) 3.842 5.350 ( -2.511 4.041 -3.398) 5.847 5.391 ( -2.621 -0.611 -4.861) 5.556 5.651 ( 1.504 0.241 -0.263) 1.546 5.701 ( -5.579 2.963 2.134) 6.668 5.764 ( 0.285 -4.084 1.085) 4.235 6.076 ( 6.952 4.162 -6.460) 10.362 6.213 ( -5.448 5.111 -4.238) 8.589 6.356 ( 4.901 7.689 -2.388) 9.425 6.870 ( -3.989 -0.176 -1.519) 4.272 7.212 ( -5.525 -16.964 -1.067) 17.873 ======================= Grid point 195 (94/160) ======================= q-point: (-0.11 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 6.444 3.129 11.868) 13.862 1.282 ( 4.668 3.434 16.819) 17.789 1.621 ( 4.428 5.722 -0.044) 7.235 1.758 ( 3.564 10.173 1.504) 10.883 2.045 ( -3.077 -2.459 0.419) 3.961 2.376 ( -4.231 -5.229 -2.164) 7.066 2.545 ( -0.366 -3.600 0.808) 3.707 2.684 ( -1.482 1.600 -1.442) 2.615 2.821 ( -5.397 1.380 2.693) 6.187 2.881 ( 1.799 2.309 1.381) 3.236 3.035 ( -3.025 0.193 1.074) 3.216 3.138 ( 4.527 1.461 -2.421) 5.337 3.361 ( 9.258 -1.437 -5.490) 10.859 3.529 ( -4.543 3.246 -4.742) 7.325 3.917 ( 4.221 -10.039 2.289) 11.128 3.929 ( -0.912 -3.071 -3.008) 4.394 4.192 ( -3.281 -2.804 -0.135) 4.318 4.362 ( 1.235 -0.172 2.242) 2.566 4.389 ( -0.678 0.768 -0.514) 1.146 4.463 ( 4.803 1.029 2.341) 5.441 4.672 ( 3.450 0.627 0.335) 3.523 4.756 ( 0.042 1.054 2.880) 3.067 4.858 ( 3.098 5.575 -1.780) 6.622 4.965 ( -2.141 1.283 -3.217) 4.072 5.066 ( 2.475 4.719 1.299) 5.485 5.204 ( -0.242 7.439 -2.659) 7.903 5.285 ( -3.002 2.035 -5.701) 6.757 5.356 ( 2.202 -0.363 -0.188) 2.240 5.524 ( -6.983 0.020 -1.320) 7.107 5.689 ( -0.791 -0.638 2.215) 2.436 5.821 ( -0.079 -3.713 0.940) 3.831 6.093 ( 5.764 6.738 -2.449) 9.199 6.166 ( 4.575 -0.727 -2.820) 5.423 6.360 ( 7.561 9.215 -2.807) 12.246 6.816 ( -4.225 -3.114 1.596) 5.486 7.271 ( -8.682 -17.236 0.619) 19.309 ======================= Grid point 199 (95/160) ======================= q-point: (-0.67 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 5.263 0.000 -4.642) 7.018 1.758 ( 2.537 0.000 -2.561) 3.604 1.878 ( -2.552 -0.000 -2.368) 3.481 1.939 ( -8.589 -0.000 -0.510) 8.604 2.072 ( 1.126 0.000 -8.772) 8.844 2.161 ( -0.761 -0.000 2.463) 2.578 2.417 ( 9.474 0.000 -3.683) 10.165 2.485 ( -2.661 -0.000 -1.160) 2.903 2.721 ( -0.972 -0.000 2.633) 2.807 2.815 ( 2.348 0.000 1.229) 2.650 2.895 ( 5.545 0.000 -0.273) 5.552 3.124 ( 2.126 0.000 1.805) 2.789 3.380 ( -12.251 -0.000 4.075) 12.911 3.534 ( -8.992 -0.000 7.182) 11.508 3.691 ( 2.696 0.000 2.907) 3.965 3.804 ( -1.076 -0.000 -0.935) 1.425 4.110 ( -2.866 -0.000 -0.908) 3.006 4.197 ( -1.151 -0.000 -0.802) 1.403 4.523 ( -1.329 -0.000 0.848) 1.576 4.526 ( 5.605 0.000 1.992) 5.949 4.568 ( -3.730 -0.000 0.534) 3.769 4.650 ( 2.598 0.000 -2.506) 3.609 4.841 ( 4.424 0.000 2.031) 4.868 5.016 ( -3.713 -0.000 0.524) 3.750 5.046 ( 7.115 0.000 0.630) 7.143 5.250 ( -0.565 -0.000 -0.070) 0.569 5.332 ( 0.381 0.000 2.765) 2.791 5.374 ( -5.030 -0.000 -2.768) 5.741 5.566 ( 1.289 0.000 4.254) 4.444 5.643 ( -1.937 -0.000 -1.318) 2.343 5.674 ( 0.011 0.000 -0.923) 0.923 5.782 ( 2.938 0.000 -3.877) 4.865 6.268 ( -3.369 -0.000 0.103) 3.371 6.842 ( 0.388 0.000 -13.406) 13.412 7.061 ( 0.621 0.000 1.000) 1.177 7.224 ( 4.018 0.000 1.395) 4.253 ======================= Grid point 201 (96/160) ======================= q-point: (-0.56 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -4.738 10.986 0.239) 11.967 1.690 ( 1.073 1.893 1.490) 2.637 1.799 ( -5.284 0.348 0.877) 5.368 1.896 ( 2.941 -3.456 -0.464) 4.562 1.978 ( -5.009 -0.060 -6.594) 8.281 2.267 ( 3.797 -7.137 2.301) 8.405 2.433 ( 0.250 2.471 -0.261) 2.498 2.552 ( 7.668 -2.525 -7.724) 11.173 2.677 ( -3.643 2.418 0.508) 4.402 2.885 ( 5.536 1.055 1.472) 5.824 2.992 ( 1.315 1.682 2.936) 3.630 3.171 ( -3.440 3.294 -0.708) 4.815 3.181 ( -0.496 0.570 2.996) 3.090 3.417 ( -9.751 -0.058 7.425) 12.257 3.758 ( -4.119 -1.678 -4.836) 6.570 3.782 ( 4.882 -1.112 3.703) 6.227 4.077 ( -0.090 -2.661 0.662) 2.743 4.228 ( 2.286 -0.977 3.886) 4.613 4.510 ( -0.736 1.290 2.280) 2.721 4.526 ( -0.789 1.627 2.355) 2.969 4.590 ( -1.558 -2.619 0.488) 3.086 4.694 ( 0.082 -1.706 -0.486) 1.776 4.872 ( 1.918 2.011 1.872) 3.350 4.961 ( -0.922 3.810 2.665) 4.740 5.170 ( 3.351 -4.346 -1.959) 5.827 5.209 ( -2.035 -0.106 -1.330) 2.433 5.335 ( 3.397 0.729 -2.178) 4.101 5.383 ( 2.044 -0.809 3.482) 4.118 5.591 ( -2.857 -1.230 -0.331) 3.128 5.648 ( 2.559 1.629 0.234) 3.043 5.688 ( 2.217 -1.823 -0.112) 2.872 5.853 ( 7.235 -3.885 -3.202) 8.814 6.234 ( -0.718 -0.407 -1.071) 1.352 6.762 ( 0.212 3.197 -11.161) 11.611 6.998 ( -6.623 2.512 -1.264) 7.195 7.244 ( -1.543 -1.493 -3.831) 4.391 ======================= Grid point 202 (97/160) ======================= q-point: (-0.44 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -3.950 11.376 2.675) 12.336 1.551 ( -8.152 9.391 2.221) 12.632 1.868 ( -4.015 0.524 -0.954) 4.160 1.894 ( 4.572 -2.663 4.994) 7.276 2.026 ( 6.327 -5.076 1.266) 8.209 2.297 ( -0.970 2.551 -4.885) 5.596 2.395 ( -6.610 -1.680 4.040) 7.927 2.581 ( -4.397 1.972 -0.048) 4.819 2.730 ( 13.351 -5.479 -6.464) 15.812 2.824 ( -9.319 0.619 3.439) 9.952 3.018 ( 5.000 -0.042 1.934) 5.361 3.193 ( 7.565 5.128 2.348) 9.436 3.232 ( -0.168 -0.321 1.675) 1.714 3.344 ( -1.139 -1.917 0.730) 2.346 3.663 ( -5.917 -3.586 -5.547) 8.868 3.881 ( 5.332 1.349 1.240) 5.638 4.167 ( 4.150 -3.783 5.330) 7.742 4.310 ( 2.536 -0.629 4.120) 4.879 4.475 ( -3.891 1.469 1.825) 4.542 4.513 ( -1.256 -0.022 2.336) 2.652 4.589 ( -0.608 0.038 2.829) 2.894 4.658 ( -2.296 -0.710 0.163) 2.409 4.923 ( 3.100 0.782 3.915) 5.054 4.964 ( 2.980 2.923 1.864) 4.571 5.181 ( -2.396 0.488 -3.536) 4.299 5.198 ( 1.427 0.903 -1.657) 2.366 5.339 ( -1.593 -1.471 -4.421) 4.924 5.439 ( 2.740 0.297 1.229) 3.018 5.603 ( 2.039 -1.443 1.382) 2.854 5.664 ( 0.123 -2.114 -1.280) 2.475 5.730 ( 0.911 0.287 3.620) 3.744 6.032 ( 9.975 -3.787 -3.203) 11.140 6.246 ( 2.577 -2.007 -2.602) 4.176 6.645 ( -3.938 7.832 -7.947) 11.832 6.849 ( -6.065 -1.745 -2.904) 6.947 7.153 ( -7.797 -2.381 -8.428) 11.726 ======================= Grid point 203 (98/160) ======================= q-point: (-0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -2.171 10.010 1.813) 10.402 1.366 ( -3.298 10.225 9.062) 14.055 1.783 ( -1.626 4.728 0.040) 5.000 1.992 ( 0.099 -0.468 4.492) 4.517 2.070 ( 3.249 11.207 -2.746) 11.987 2.314 ( -5.274 -4.217 2.342) 7.147 2.341 ( 1.440 -10.024 0.636) 10.147 2.516 ( -1.301 -2.406 0.487) 2.779 2.769 ( -2.885 -4.945 1.448) 5.905 2.950 ( 8.411 -4.950 -1.480) 9.871 3.067 ( -3.165 1.714 5.014) 6.172 3.191 ( 0.995 3.313 -1.385) 3.726 3.262 ( 5.834 4.664 -0.039) 7.470 3.460 ( 7.299 -8.291 -1.378) 11.132 3.601 ( -2.236 -3.671 -2.876) 5.172 3.946 ( 5.303 3.400 -1.361) 6.445 4.296 ( 1.797 -0.774 5.754) 6.077 4.308 ( -0.151 1.363 -1.218) 1.834 4.392 ( -3.522 2.391 1.145) 4.408 4.533 ( -1.104 0.263 1.059) 1.552 4.603 ( 3.657 1.938 4.841) 6.369 4.679 ( 1.612 -1.522 3.111) 3.820 4.969 ( 2.040 5.998 2.790) 6.923 5.029 ( 2.712 -5.307 3.219) 6.774 5.079 ( -3.180 3.053 -3.662) 5.731 5.204 ( 1.258 0.843 -1.366) 2.039 5.310 ( -2.449 -4.657 -4.709) 7.061 5.444 ( -0.711 3.001 -1.238) 3.323 5.660 ( 2.824 0.561 2.925) 4.104 5.679 ( -1.129 -4.292 -0.467) 4.463 5.742 ( -3.161 0.971 4.352) 5.465 6.138 ( 7.213 2.816 -7.803) 10.993 6.301 ( 0.865 2.122 -6.282) 6.687 6.457 ( -1.601 3.518 -1.157) 4.035 6.842 ( 0.087 -6.089 -1.854) 6.365 6.962 ( -12.552 -5.200 -8.928) 16.258 ======================= Grid point 204 (99/160) ======================= q-point: (-0.22 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -0.050 7.611 6.246) 9.846 1.369 ( 3.030 6.509 11.093) 13.214 1.746 ( 2.934 6.274 0.767) 6.969 1.935 ( 0.539 6.003 -5.331) 8.047 2.047 ( 1.313 4.713 2.060) 5.309 2.278 ( -5.055 -4.693 1.352) 7.029 2.410 ( -2.566 -8.770 -2.974) 9.610 2.644 ( 6.235 -6.206 3.649) 9.524 2.793 ( -2.054 -5.512 0.802) 5.937 2.945 ( -6.489 4.186 2.203) 8.030 3.055 ( 1.383 1.571 1.123) 2.375 3.186 ( 1.393 2.998 0.658) 3.371 3.351 ( 9.229 0.521 -4.388) 10.232 3.526 ( -3.080 -2.885 -3.299) 5.357 3.732 ( 8.148 -8.632 2.052) 12.046 3.955 ( 1.241 4.709 -1.212) 5.018 4.186 ( -4.562 3.161 -3.769) 6.709 4.371 ( 0.215 0.628 2.829) 2.905 4.416 ( 3.852 0.378 0.974) 3.991 4.481 ( 0.558 2.693 1.166) 2.987 4.676 ( 1.967 0.428 1.530) 2.528 4.753 ( 1.917 -1.651 5.666) 6.205 4.913 ( -3.050 1.657 -1.210) 3.676 5.022 ( 1.928 4.876 -2.558) 5.834 5.122 ( 1.678 0.790 2.328) 2.976 5.223 ( -1.199 -4.499 0.410) 4.674 5.298 ( 0.257 -3.454 -3.961) 5.261 5.368 ( -1.064 5.059 -1.082) 5.282 5.585 ( -11.352 3.703 -1.019) 11.984 5.714 ( 2.247 2.445 2.991) 4.469 5.732 ( 0.312 -5.487 0.175) 5.499 6.172 ( 4.928 1.924 -8.538) 10.044 6.203 ( 1.871 4.509 -2.663) 5.561 6.506 ( 6.563 4.285 -1.488) 7.978 6.767 ( -6.609 -1.659 -2.970) 7.433 6.933 ( -5.614 -16.473 -0.103) 17.403 ======================= Grid point 205 (100/160) ======================= q-point: (-0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 8.473 -0.442 8.128) 11.750 1.421 ( 1.670 2.212 7.019) 7.547 1.753 ( 3.815 5.942 1.968) 7.330 1.902 ( 5.471 4.443 -4.684) 8.463 2.038 ( 3.092 3.451 -3.114) 5.583 2.233 ( -5.883 -5.681 -1.587) 8.331 2.423 ( -4.843 -8.353 -2.014) 9.863 2.731 ( 0.258 6.460 2.257) 6.848 2.752 ( -4.811 -0.148 1.630) 5.082 2.913 ( 0.700 -2.443 -1.276) 2.844 3.001 ( -3.511 3.644 1.940) 5.420 3.209 ( 3.411 -0.708 -0.416) 3.508 3.431 ( -3.637 0.191 -4.080) 5.469 3.486 ( 6.856 1.536 -2.649) 7.509 3.890 ( -0.979 -0.872 0.056) 1.313 3.921 ( 2.047 -1.183 1.170) 2.638 4.119 ( -1.562 -2.606 0.643) 3.106 4.354 ( -4.058 1.406 1.225) 4.465 4.389 ( 0.037 0.701 -0.998) 1.220 4.567 ( 4.113 2.055 1.431) 4.816 4.687 ( 0.724 -0.790 -1.032) 1.488 4.777 ( -1.710 2.542 3.194) 4.426 4.872 ( -0.251 -0.583 -1.872) 1.977 4.976 ( 0.343 5.298 -4.151) 6.739 5.130 ( 1.215 2.621 0.803) 2.998 5.207 ( -3.199 -2.063 -4.556) 5.937 5.271 ( 0.210 3.580 2.384) 4.307 5.356 ( -5.252 3.662 -0.979) 6.477 5.441 ( 2.686 -5.337 1.202) 6.095 5.721 ( 1.209 2.955 0.773) 3.285 5.780 ( -0.439 -3.726 -0.322) 3.765 6.203 ( 3.597 3.695 -5.456) 7.507 6.262 ( 8.168 -3.404 1.247) 8.936 6.542 ( 6.653 6.327 -1.162) 9.255 6.726 ( -3.574 -3.244 2.974) 5.669 6.963 ( -8.159 -15.143 -2.228) 17.345 ======================= Grid point 210 (101/160) ======================= q-point: (-0.56 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -6.222 -0.000 -1.631) 6.432 1.682 ( -7.577 -0.000 2.954) 8.132 1.826 ( -4.371 -0.000 -1.688) 4.686 1.874 ( 7.193 0.000 6.380) 9.615 1.954 ( 4.245 0.000 3.303) 5.379 2.301 ( 1.102 0.000 2.063) 2.339 2.433 ( -1.291 -0.000 -1.575) 2.037 2.602 ( -5.819 -0.000 -0.861) 5.882 2.638 ( 7.204 0.000 -8.152) 10.879 2.846 ( -9.979 -0.000 -0.726) 10.006 3.017 ( 3.592 0.000 3.364) 4.921 3.232 ( 6.394 0.000 -4.176) 7.637 3.265 ( 6.855 0.000 5.826) 8.996 3.319 ( -5.617 -0.000 4.740) 7.349 3.624 ( -6.134 -0.000 -6.702) 9.085 3.904 ( 6.975 0.000 4.634) 8.374 4.115 ( 4.382 0.000 3.880) 5.853 4.295 ( 3.346 0.000 6.496) 7.307 4.497 ( -1.705 -0.000 0.617) 1.813 4.515 ( -6.697 -0.000 2.558) 7.169 4.576 ( 0.938 0.000 7.657) 7.714 4.654 ( -0.720 -0.000 -2.155) 2.272 4.902 ( 1.370 0.000 -0.685) 1.532 5.036 ( 2.707 0.000 5.077) 5.753 5.171 ( 0.786 0.000 -3.431) 3.519 5.208 ( 1.551 0.000 -0.756) 1.725 5.341 ( -2.179 -0.000 -5.228) 5.664 5.434 ( 1.389 0.000 2.092) 2.512 5.583 ( 3.540 0.000 2.419) 4.288 5.639 ( -0.580 -0.000 -3.224) 3.276 5.747 ( 1.239 0.000 4.199) 4.378 5.973 ( 12.251 0.000 -1.828) 12.387 6.229 ( 1.662 0.000 -3.548) 3.918 6.733 ( 1.417 0.000 -9.798) 9.900 6.825 ( -13.888 -0.000 -4.382) 14.563 7.131 ( -6.988 -0.000 -7.530) 10.273 ======================= Grid point 212 (102/160) ======================= q-point: (-0.44 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -0.874 4.115 -1.338) 4.414 1.558 ( -3.459 9.422 4.971) 11.201 1.759 ( -3.842 -5.484 -0.981) 6.767 2.029 ( 4.367 2.733 7.307) 8.941 2.109 ( 7.806 -5.105 6.165) 11.180 2.282 ( -3.521 0.666 -1.044) 3.732 2.347 ( -2.507 9.185 -2.038) 9.736 2.477 ( -7.959 -0.827 -2.489) 8.380 2.603 ( -6.589 -11.287 -2.510) 13.308 2.885 ( 8.996 -1.872 0.438) 9.199 3.080 ( 0.376 0.167 6.040) 6.054 3.261 ( 0.797 3.739 -1.266) 4.028 3.333 ( 1.834 -3.382 -2.700) 4.700 3.373 ( 7.297 3.508 0.376) 8.106 3.537 ( -0.198 -3.023 -4.680) 5.574 4.019 ( 6.503 3.577 2.091) 7.711 4.242 ( 5.121 -2.870 5.535) 8.068 4.361 ( -0.262 2.723 4.206) 5.018 4.437 ( -3.130 1.473 3.048) 4.611 4.499 ( 1.712 -2.376 2.579) 3.902 4.640 ( 1.613 1.197 7.598) 7.859 4.657 ( 1.501 -0.742 -0.686) 1.809 4.923 ( 0.269 -3.829 0.094) 3.839 5.082 ( 1.068 5.163 4.541) 6.958 5.139 ( -1.220 2.071 -3.109) 3.930 5.210 ( -2.486 -1.997 -1.577) 3.558 5.256 ( -0.804 0.340 -5.314) 5.385 5.455 ( 0.122 -1.204 -0.855) 1.482 5.611 ( -1.657 -1.862 -3.461) 4.265 5.679 ( 3.823 0.581 4.764) 6.136 5.759 ( -2.338 1.008 5.382) 5.954 6.178 ( 10.594 1.330 -2.348) 10.932 6.263 ( 5.763 -3.883 -4.472) 8.264 6.516 ( -16.095 2.454 -5.152) 17.077 6.719 ( -1.332 -3.928 -8.166) 9.159 6.961 ( -6.474 1.079 -9.099) 11.219 ======================= Grid point 213 (103/160) ======================= q-point: (-0.33 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -0.753 9.499 -0.201) 9.531 1.511 ( 2.833 7.990 6.548) 10.712 1.776 ( 0.588 -3.811 -1.013) 3.987 2.022 ( -4.231 5.246 3.478) 7.584 2.171 ( -0.959 3.351 -2.066) 4.052 2.217 ( -2.458 -0.366 0.791) 2.608 2.282 ( -1.858 -2.585 -3.300) 4.585 2.495 ( 4.645 -8.670 3.061) 10.301 2.644 ( 0.430 -9.039 -1.424) 9.160 2.992 ( -3.346 0.579 5.361) 6.346 3.088 ( 2.207 1.995 2.196) 3.698 3.229 ( -0.267 1.603 -0.243) 1.643 3.357 ( 2.231 -1.488 -1.073) 2.888 3.473 ( 5.573 -0.422 -2.030) 5.946 3.623 ( 8.518 -3.595 -3.468) 9.874 4.060 ( 2.544 5.601 0.653) 6.186 4.284 ( -3.813 5.866 -1.229) 7.103 4.354 ( 1.686 -1.815 2.999) 3.890 4.438 ( 4.402 2.430 3.179) 5.949 4.554 ( 1.093 3.511 1.062) 3.828 4.686 ( 2.184 0.401 1.176) 2.513 4.712 ( 2.133 -1.622 7.425) 7.894 4.960 ( -4.527 2.279 0.164) 5.071 5.024 ( 1.371 -5.550 0.057) 5.717 5.137 ( 2.215 4.439 2.653) 5.625 5.181 ( -2.529 -3.612 -3.099) 5.389 5.234 ( 0.458 0.203 -2.511) 2.561 5.437 ( -1.478 1.089 -2.406) 3.026 5.596 ( -2.749 -3.487 -1.421) 4.662 5.673 ( -8.434 1.188 1.272) 8.612 5.738 ( 1.789 0.226 4.106) 4.485 6.222 ( -4.626 1.307 -10.439) 11.493 6.244 ( 0.868 0.490 -4.251) 4.367 6.461 ( 4.600 -6.917 5.277) 9.842 6.667 ( -4.838 -4.973 -4.229) 8.125 6.853 ( 1.650 3.401 -8.013) 8.860 ======================= Grid point 214 (104/160) ======================= q-point: (-0.22 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 4.768 5.543 4.985) 8.849 1.511 ( 1.331 6.669 3.518) 7.656 1.824 ( 3.409 -0.412 -1.344) 3.687 1.946 ( -1.532 1.408 -1.287) 2.447 2.110 ( -2.285 1.311 -4.380) 5.111 2.153 ( -4.674 -2.057 -2.013) 5.489 2.274 ( -0.852 -5.162 -3.252) 6.160 2.685 ( 3.975 -6.553 3.763) 8.538 2.740 ( 2.341 -5.183 1.828) 5.973 2.894 ( -4.160 2.892 -0.067) 5.067 3.104 ( -0.783 4.999 3.150) 5.961 3.206 ( -1.863 -0.384 0.274) 1.922 3.411 ( 1.318 -1.193 0.053) 1.779 3.527 ( 5.212 2.514 -3.693) 6.864 3.798 ( 7.611 -5.670 -0.388) 9.499 3.998 ( -3.546 5.583 -0.785) 6.661 4.161 ( -1.938 6.372 -0.713) 6.698 4.360 ( -3.986 -0.878 2.274) 4.672 4.460 ( 0.641 6.364 -0.702) 6.435 4.589 ( 6.427 0.966 2.363) 6.915 4.702 ( 0.362 2.005 0.565) 2.115 4.794 ( 0.652 -0.374 4.694) 4.754 4.875 ( -1.148 1.655 -1.137) 2.313 5.074 ( -0.049 2.355 -3.022) 3.832 5.121 ( -2.118 -3.008 -1.189) 3.867 5.164 ( 0.839 0.742 0.291) 1.157 5.276 ( 0.830 -4.452 2.064) 4.977 5.391 ( -1.243 1.237 -1.587) 2.365 5.432 ( -7.555 3.597 -1.673) 8.533 5.672 ( 0.125 -6.724 -1.080) 6.812 5.771 ( 0.386 0.804 0.723) 1.148 6.130 ( -2.705 -11.018 -5.406) 12.567 6.266 ( 2.998 2.530 -3.383) 5.180 6.584 ( 1.635 -2.390 5.790) 6.474 6.665 ( -0.189 -2.957 3.616) 4.675 6.821 ( 2.312 1.801 -8.712) 9.191 ======================= Grid point 215 (105/160) ======================= q-point: (-0.11 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 4.579 1.871 0.352) 4.959 1.484 ( 3.993 1.717 4.309) 6.121 1.822 ( -4.289 2.651 -0.330) 5.053 1.936 ( 3.542 -2.256 -4.880) 6.438 2.029 ( -5.968 -8.843 -3.318) 11.172 2.185 ( 8.372 0.546 -5.878) 10.244 2.285 ( -0.568 -2.922 -1.483) 3.326 2.693 ( -4.328 2.115 0.748) 4.875 2.778 ( -1.939 3.116 -0.226) 3.677 2.892 ( 2.656 -2.768 -2.696) 4.689 3.000 ( -5.132 7.630 1.059) 9.256 3.201 ( -0.839 -3.010 -0.122) 3.127 3.404 ( 0.582 2.364 2.217) 3.293 3.574 ( 1.295 0.470 1.823) 2.285 3.843 ( -5.562 2.087 -1.555) 6.140 3.948 ( 1.906 -1.850 -0.061) 2.657 4.116 ( 0.248 1.224 2.102) 2.445 4.294 ( -5.238 -0.795 1.774) 5.587 4.416 ( 1.325 5.969 0.624) 6.146 4.607 ( -2.690 4.291 -1.107) 5.184 4.695 ( 0.053 -0.712 -2.256) 2.367 4.793 ( -0.123 2.759 0.984) 2.932 4.889 ( 3.380 0.391 1.388) 3.675 4.992 ( -1.201 4.648 -3.364) 5.861 5.103 ( -3.398 -2.445 -3.789) 5.646 5.203 ( 4.254 2.958 1.767) 5.474 5.243 ( -2.286 0.647 -2.503) 3.451 5.353 ( 0.804 -1.424 4.508) 4.795 5.483 ( 5.383 -2.960 0.820) 6.198 5.712 ( -1.205 -3.809 -1.374) 4.225 5.763 ( 0.021 -0.759 -1.933) 2.077 6.234 ( -3.984 -4.622 3.970) 7.280 6.262 ( 6.181 -7.879 -8.872) 13.379 6.636 ( -7.935 -1.945 6.884) 10.684 6.693 ( 4.733 2.075 6.690) 8.454 6.835 ( 6.642 -1.282 -8.611) 10.950 ======================= Grid point 221 (106/160) ======================= q-point: ( 0.56 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 2.338 0.000 -2.235) 3.235 1.649 ( 3.530 0.000 4.324) 5.582 1.659 ( -2.227 -0.000 0.013) 2.227 2.104 ( -14.728 -0.000 0.130) 14.729 2.114 ( 0.267 0.000 2.897) 2.909 2.268 ( -0.380 -0.000 5.262) 5.276 2.320 ( 2.957 0.000 -6.151) 6.825 2.370 ( -2.959 -0.000 -2.167) 3.668 2.534 ( 7.344 0.000 0.013) 7.344 2.991 ( 0.014 0.000 8.192) 8.192 3.111 ( 1.461 0.000 2.815) 3.171 3.248 ( -3.964 -0.000 -4.532) 6.021 3.323 ( 2.548 0.000 2.297) 3.431 3.494 ( 6.735 0.000 -2.965) 7.359 3.583 ( 9.568 0.000 -5.274) 10.926 4.120 ( 1.956 0.000 0.057) 1.957 4.317 ( 0.265 0.000 4.220) 4.229 4.369 ( -0.937 -0.000 0.479) 1.052 4.472 ( 3.228 0.000 4.679) 5.685 4.574 ( 5.648 0.000 3.502) 6.646 4.678 ( 2.481 0.000 -0.203) 2.489 4.729 ( 2.321 0.000 9.552) 9.830 4.901 ( 0.317 0.000 0.383) 0.498 5.054 ( -7.506 -0.000 -2.200) 7.822 5.107 ( -1.076 -0.000 -3.272) 3.444 5.189 ( 2.763 0.000 3.196) 4.225 5.254 ( 0.515 0.000 -2.716) 2.765 5.430 ( -1.252 -0.000 -2.851) 3.114 5.551 ( -1.870 -0.000 -3.421) 3.899 5.699 ( -9.306 -0.000 1.993) 9.517 5.740 ( -0.077 -0.000 4.607) 4.608 6.185 ( -18.821 -0.000 -5.862) 19.712 6.271 ( 5.080 0.000 -7.346) 8.931 6.392 ( 10.465 0.000 3.214) 10.947 6.630 ( -2.714 -0.000 -3.219) 4.210 6.893 ( 2.379 0.000 -9.800) 10.085 ======================= Grid point 223 (107/160) ======================= q-point: (-0.33 0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 3.386 8.182 -0.442) 8.866 1.634 ( 1.182 4.406 1.561) 4.822 1.758 ( 3.160 -3.744 -0.857) 4.973 1.888 ( -9.912 -6.273 -1.490) 11.824 2.084 ( -4.945 -2.784 -2.992) 6.415 2.162 ( -7.708 2.731 -4.456) 9.313 2.298 ( 3.719 5.466 -1.554) 6.791 2.513 ( 6.668 -9.551 2.675) 11.951 2.695 ( 8.096 -0.409 3.350) 8.772 2.932 ( -7.386 0.806 1.534) 7.586 3.164 ( 1.260 1.813 3.098) 3.804 3.191 ( -1.700 -1.078 0.891) 2.202 3.399 ( 3.432 -0.313 5.281) 6.306 3.568 ( 4.837 1.433 -3.122) 5.933 3.728 ( 10.110 -1.615 -4.584) 11.217 4.079 ( -5.074 2.415 -1.103) 5.727 4.274 ( -2.842 3.580 -0.485) 4.597 4.344 ( -4.086 -0.138 0.679) 4.144 4.553 ( 4.149 1.888 1.879) 4.930 4.645 ( 3.313 4.392 0.769) 5.555 4.732 ( 3.146 0.724 1.144) 3.424 4.795 ( 2.554 1.978 5.831) 6.666 4.937 ( -1.490 3.873 1.726) 4.494 4.966 ( 0.245 -7.103 -1.762) 7.323 5.117 ( 1.613 -4.195 0.159) 4.497 5.206 ( -1.250 4.964 -0.384) 5.133 5.246 ( 1.494 1.488 0.371) 2.141 5.394 ( -0.840 -1.921 -2.637) 3.369 5.477 ( -11.549 1.496 -3.217) 12.082 5.550 ( -0.956 -5.306 -1.751) 5.669 5.762 ( -0.040 -0.985 1.626) 1.901 5.920 ( -13.115 -7.662 -5.641) 16.203 6.303 ( 3.145 1.161 -4.414) 5.543 6.553 ( 5.161 -0.559 6.228) 8.107 6.629 ( 1.183 -0.938 5.040) 5.261 6.885 ( 4.562 2.518 -11.350) 12.489 ======================= Grid point 224 (108/160) ======================= q-point: (-0.22 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 5.121 4.187 3.017) 7.271 1.579 ( -0.153 6.786 0.155) 6.789 1.815 ( -0.645 -7.687 -4.126) 8.748 1.869 ( -4.580 -6.541 -1.570) 8.138 1.919 ( -7.915 2.907 -7.081) 11.011 2.083 ( 0.691 -6.356 -4.930) 8.073 2.334 ( 5.791 3.766 -0.710) 6.944 2.706 ( 4.593 -6.438 2.101) 8.183 2.746 ( -3.902 2.445 0.200) 4.609 2.869 ( 1.833 -1.431 -0.028) 2.326 3.139 ( -3.778 5.621 2.058) 7.079 3.179 ( 0.615 0.899 0.873) 1.396 3.463 ( 1.358 2.950 5.401) 6.303 3.579 ( -0.753 0.548 0.065) 0.933 3.864 ( 3.325 -1.066 -2.345) 4.206 3.931 ( -5.233 1.781 -1.183) 5.653 4.188 ( -1.516 4.944 -1.584) 5.408 4.264 ( -6.139 -1.882 1.528) 6.601 4.548 ( 0.205 6.110 0.157) 6.116 4.652 ( -0.323 0.863 1.145) 1.470 4.724 ( -1.474 4.309 -2.867) 5.382 4.832 ( 0.083 0.840 -0.164) 0.860 4.933 ( 4.638 4.880 2.009) 7.026 4.995 ( -1.293 -5.017 -2.780) 5.880 5.105 ( -1.817 4.382 -1.288) 4.915 5.231 ( 3.862 -0.940 2.517) 4.705 5.250 ( -0.834 -2.283 0.466) 2.474 5.338 ( 1.413 3.152 -0.048) 3.455 5.442 ( 4.114 -2.360 -1.176) 4.886 5.601 ( -0.790 -7.152 -0.161) 7.197 5.734 ( -2.785 -2.422 -4.159) 5.560 5.912 ( -1.047 -16.499 -1.150) 16.572 6.299 ( 0.415 1.651 -2.681) 3.176 6.630 ( -1.073 0.831 7.436) 7.559 6.706 ( 2.111 -0.199 9.920) 10.144 6.871 ( 6.109 3.217 -12.339) 14.139 ======================= Grid point 225 (109/160) ======================= q-point: (-0.11 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -7.267 1.647 -3.383) 8.183 1.615 ( -3.662 0.567 2.316) 4.370 1.704 ( 0.556 0.445 -1.087) 1.300 1.859 ( -0.328 -8.107 -3.567) 8.864 1.935 ( 3.285 -3.898 -6.912) 8.589 2.204 ( 7.755 -10.202 -3.309) 13.235 2.387 ( 5.145 4.034 -0.194) 6.540 2.625 ( -6.664 -0.222 -5.042) 8.360 2.759 ( 1.554 3.965 -0.807) 4.334 2.916 ( 1.521 4.963 -6.236) 8.113 2.992 ( -4.113 5.016 1.182) 6.594 3.193 ( -0.068 0.520 3.772) 3.809 3.451 ( -5.908 1.802 7.199) 9.486 3.531 ( -4.826 0.228 4.666) 6.717 3.766 ( -4.246 0.231 1.116) 4.397 3.948 ( -1.058 0.191 -0.951) 1.436 4.164 ( 3.555 1.426 -0.838) 3.920 4.210 ( -3.617 -1.365 2.056) 4.379 4.478 ( -2.161 5.124 -2.583) 6.131 4.582 ( -3.420 2.762 -0.781) 4.465 4.678 ( -0.006 0.481 0.607) 0.775 4.761 ( -4.244 0.874 -5.805) 7.244 4.986 ( 0.102 -0.742 -0.151) 0.764 5.014 ( 4.767 1.752 -1.405) 5.270 5.062 ( 1.684 6.423 0.400) 6.652 5.218 ( 1.816 -0.527 -0.579) 1.977 5.334 ( 3.510 0.936 2.089) 4.191 5.402 ( 4.953 0.539 3.821) 6.278 5.535 ( 2.472 -3.155 -1.935) 4.451 5.636 ( -0.755 -4.260 -0.274) 4.335 5.720 ( -0.268 -3.066 -3.333) 4.537 6.092 ( 2.324 -14.611 1.753) 14.899 6.264 ( 0.243 -0.068 -4.249) 4.257 6.558 ( -6.961 5.286 4.035) 9.626 6.808 ( 2.336 -1.251 10.375) 10.708 6.920 ( 8.598 -0.703 -8.676) 12.235 ======================= Grid point 232 (110/160) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 2.490 0.000 -0.630) 2.568 1.674 ( 0.915 0.000 -2.102) 2.293 1.692 ( -2.517 -0.000 0.230) 2.527 1.768 ( -2.944 -0.000 -0.504) 2.987 1.987 ( -10.898 -0.000 -10.100) 14.859 1.996 ( 0.637 0.000 -4.752) 4.795 2.377 ( 3.381 0.000 1.236) 3.600 2.619 ( 8.790 0.000 1.475) 8.913 2.805 ( -6.276 -0.000 -2.064) 6.607 2.825 ( 4.469 0.000 3.126) 5.454 3.189 ( -3.726 -0.000 3.523) 5.128 3.196 ( 2.566 0.000 3.040) 3.979 3.487 ( 2.702 0.000 6.742) 7.263 3.594 ( -1.892 -0.000 0.007) 1.892 3.850 ( 8.035 0.000 -4.388) 9.155 3.957 ( -9.884 -0.000 -0.906) 9.925 4.243 ( -5.607 -0.000 -3.107) 6.411 4.245 ( -2.699 -0.000 0.530) 2.750 4.587 ( -1.396 -0.000 1.113) 1.785 4.689 ( -0.554 -0.000 -1.918) 1.996 4.787 ( 0.264 0.000 -1.259) 1.286 4.829 ( -1.339 -0.000 -1.765) 2.216 4.920 ( 2.226 0.000 -2.107) 3.065 5.034 ( 1.532 0.000 1.891) 2.434 5.138 ( 2.736 0.000 2.676) 3.827 5.177 ( -0.175 -0.000 0.786) 0.805 5.262 ( -1.801 -0.000 -2.174) 2.823 5.375 ( 2.658 0.000 0.139) 2.662 5.409 ( 6.648 0.000 0.670) 6.682 5.512 ( -1.297 -0.000 0.938) 1.601 5.681 ( -6.413 -0.000 -5.966) 8.759 5.763 ( 0.589 0.000 -0.208) 0.625 6.313 ( 0.037 0.000 -2.619) 2.619 6.642 ( 0.825 0.000 7.713) 7.757 6.702 ( 2.298 0.000 10.088) 10.346 6.906 ( 4.835 0.000 -13.156) 14.016 ======================= Grid point 233 (111/160) ======================= q-point: (-0.22 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -11.832 2.418 -2.231) 12.281 1.646 ( -11.069 1.621 -2.343) 11.429 1.712 ( 3.567 -2.809 2.043) 4.979 1.758 ( 4.325 1.818 -2.542) 5.336 1.851 ( 3.744 -5.385 -6.330) 9.115 2.044 ( 5.008 -5.165 -3.931) 8.198 2.434 ( 3.226 1.170 1.042) 3.586 2.608 ( -6.182 -0.831 -8.588) 10.614 2.836 ( 7.702 4.148 3.205) 9.317 2.920 ( 5.986 -2.919 1.158) 6.760 3.085 ( -8.260 2.550 -0.529) 8.661 3.240 ( 1.104 3.384 3.447) 4.955 3.493 ( -10.672 1.693 5.880) 12.302 3.544 ( -0.574 0.772 5.639) 5.721 3.779 ( -7.935 1.297 -1.873) 8.255 3.920 ( 0.701 -2.421 -1.832) 3.116 4.186 ( 0.023 -0.059 -1.563) 1.564 4.209 ( 0.108 1.367 -0.538) 1.473 4.552 ( -2.604 2.065 0.893) 3.441 4.638 ( -4.168 2.699 -2.351) 5.494 4.677 ( -4.633 -0.009 -4.050) 6.154 4.768 ( -4.071 -0.352 -5.913) 7.188 4.960 ( 1.125 -0.945 -0.280) 1.496 5.039 ( 4.823 0.980 -1.979) 5.304 5.184 ( 3.365 2.503 2.431) 4.848 5.222 ( -0.372 2.398 -1.864) 3.060 5.308 ( 6.030 -0.604 4.713) 7.678 5.416 ( -2.565 -3.702 2.165) 4.997 5.500 ( 4.921 2.126 -1.809) 5.657 5.549 ( 4.476 -3.027 1.052) 5.505 5.660 ( 1.850 -3.222 -3.414) 5.046 5.859 ( 9.246 -7.236 1.835) 11.883 6.279 ( -2.588 0.476 -1.514) 3.036 6.646 ( -4.318 3.027 7.055) 8.808 6.792 ( 1.355 -0.545 10.244) 10.348 6.909 ( 5.249 -0.332 -12.835) 13.871 ======================= Grid point 234 (112/160) ======================= q-point: (-0.11 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -15.064 -1.160 -0.186) 15.110 1.412 ( -13.666 -3.819 -2.303) 14.375 1.811 ( 3.663 0.667 0.363) 3.741 1.858 ( 4.551 -1.915 1.459) 5.149 1.925 ( 5.445 -3.162 -6.610) 9.129 2.226 ( 7.070 -9.090 -0.203) 11.517 2.461 ( 1.469 0.670 -0.726) 1.770 2.485 ( -0.396 -0.322 -8.164) 8.180 2.895 ( -4.692 4.927 -5.061) 8.480 2.923 ( 6.047 7.090 0.893) 9.362 3.003 ( 2.528 4.686 -2.209) 5.765 3.210 ( -4.532 3.133 3.214) 6.378 3.307 ( -11.007 1.399 7.795) 13.559 3.533 ( -3.882 -0.188 6.629) 7.684 3.709 ( -1.605 -3.380 -0.141) 3.744 3.914 ( -2.124 -0.464 0.211) 2.184 4.167 ( -1.116 0.669 1.166) 1.747 4.244 ( 3.622 0.282 -2.066) 4.180 4.444 ( -4.257 4.330 -2.771) 6.675 4.547 ( -2.150 1.017 0.729) 2.488 4.654 ( -3.111 -1.466 -5.447) 6.442 4.686 ( 0.102 -1.011 -0.021) 1.016 4.944 ( -1.875 0.396 -3.761) 4.221 5.097 ( 4.877 2.904 -2.932) 6.389 5.195 ( 0.988 2.624 0.781) 2.911 5.246 ( 2.562 -1.828 1.617) 3.539 5.363 ( 0.026 0.824 1.272) 1.515 5.458 ( 0.480 -3.047 4.514) 5.467 5.551 ( 6.020 1.942 -2.359) 6.751 5.617 ( 0.598 -3.892 -3.629) 5.355 5.707 ( 2.570 0.372 -0.193) 2.604 6.139 ( 7.492 -1.663 5.335) 9.347 6.220 ( 1.217 -4.088 -2.650) 5.022 6.525 ( -7.536 6.684 3.559) 10.683 6.867 ( 0.634 -1.039 8.288) 8.377 6.966 ( 6.690 -5.399 -10.123) 13.280 ======================= Grid point 242 (113/160) ======================= q-point: (-0.22 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -16.217 -0.000 0.212) 16.219 1.354 ( -17.869 -0.000 -4.935) 18.538 1.822 ( -1.895 -0.000 -0.556) 1.975 1.846 ( 9.284 0.000 5.007) 10.548 1.879 ( 6.015 0.000 -5.807) 8.361 2.141 ( 10.672 0.000 2.655) 10.997 2.467 ( -1.829 -0.000 -12.081) 12.219 2.484 ( 2.040 0.000 1.338) 2.439 2.926 ( -11.066 -0.000 -1.784) 11.209 3.001 ( 9.442 0.000 -2.973) 9.899 3.049 ( 7.564 0.000 3.185) 8.207 3.266 ( -2.147 -0.000 1.528) 2.635 3.324 ( -12.330 -0.000 7.850) 14.617 3.536 ( -6.640 -0.000 6.214) 9.094 3.662 ( -2.729 -0.000 -5.306) 5.967 3.902 ( -1.302 -0.000 1.390) 1.905 4.174 ( -0.798 -0.000 1.734) 1.908 4.248 ( 3.489 0.000 -3.964) 5.280 4.503 ( -6.638 -0.000 -3.024) 7.294 4.565 ( -1.331 -0.000 2.703) 3.013 4.617 ( -0.624 -0.000 -4.288) 4.333 4.678 ( -2.528 -0.000 -3.367) 4.211 4.961 ( -0.900 -0.000 -2.647) 2.796 5.121 ( 6.014 0.000 -1.997) 6.337 5.155 ( -4.197 -0.000 -4.319) 6.022 5.275 ( 3.513 0.000 1.166) 3.702 5.376 ( -0.391 -0.000 8.106) 8.115 5.429 ( 3.088 0.000 1.103) 3.279 5.559 ( 3.636 0.000 -2.693) 4.524 5.583 ( 3.035 0.000 -2.958) 4.238 5.709 ( 5.313 0.000 -0.468) 5.334 6.097 ( 17.164 0.000 7.510) 18.735 6.207 ( -5.773 -0.000 -1.328) 5.924 6.605 ( -7.911 -0.000 6.750) 10.399 6.852 ( 2.345 0.000 3.701) 4.381 6.904 ( 3.176 0.000 -10.442) 10.915 ======================= Grid point 243 (114/160) ======================= q-point: (-0.11 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -15.149 -0.176 5.559) 16.137 1.115 ( -14.631 -7.967 2.331) 16.822 1.750 ( -6.222 -0.830 -1.393) 6.429 1.829 ( -12.227 -5.249 -1.580) 13.400 2.017 ( 9.285 3.119 3.637) 10.448 2.334 ( 10.450 2.824 1.872) 10.986 2.516 ( 6.500 0.449 -4.873) 8.137 2.531 ( 9.630 -3.369 -1.769) 10.354 2.745 ( -8.884 -1.187 -1.617) 9.108 3.030 ( -6.621 2.658 2.059) 7.426 3.149 ( 8.520 4.518 -0.587) 9.662 3.171 ( 2.182 7.911 -6.248) 10.314 3.293 ( -0.592 2.823 4.030) 4.956 3.441 ( -7.417 -3.967 2.789) 8.861 3.674 ( 3.537 -4.542 -0.347) 5.767 3.864 ( -4.925 -0.049 1.603) 5.180 4.196 ( 2.205 0.703 3.282) 4.016 4.257 ( 0.308 -0.071 -4.034) 4.046 4.395 ( -3.835 1.600 -0.888) 4.250 4.549 ( -0.796 1.554 -0.817) 1.928 4.578 ( -2.048 -0.906 0.025) 2.240 4.695 ( 2.626 -1.757 0.674) 3.230 4.895 ( -2.586 1.985 -5.508) 6.400 5.081 ( -4.567 -5.155 -3.929) 7.929 5.185 ( 2.655 2.052 -0.692) 3.426 5.327 ( 1.853 2.069 1.162) 3.010 5.404 ( 1.069 2.897 -0.395) 3.113 5.459 ( 0.723 -2.855 3.503) 4.576 5.592 ( 2.257 -0.982 -4.186) 4.856 5.655 ( 5.930 0.129 -0.164) 5.933 5.774 ( 3.626 2.370 -0.384) 4.349 6.067 ( -9.868 -0.165 -3.384) 10.433 6.359 ( 6.506 -1.474 6.369) 9.223 6.461 ( -9.847 4.599 4.011) 11.584 6.911 ( 0.212 -2.099 -1.186) 2.420 6.973 ( 12.218 -4.484 -4.549) 13.787 ======================= Grid point 252 (115/160) ======================= q-point: (-0.11 -0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -12.069 -0.000 12.126) 17.109 0.909 ( -10.242 -0.000 14.378) 17.653 1.503 ( -21.790 -0.000 8.210) 23.285 1.663 ( -4.202 -0.000 -0.988) 4.317 2.201 ( 9.281 0.000 -0.714) 9.309 2.511 ( 5.410 0.000 1.874) 5.725 2.552 ( -5.425 -0.000 -2.560) 5.999 2.582 ( 3.669 0.000 1.794) 4.084 2.749 ( 9.768 0.000 -2.352) 10.047 2.985 ( 3.065 0.000 0.166) 3.069 3.136 ( -5.532 -0.000 0.425) 5.548 3.243 ( -9.994 -0.000 2.525) 10.308 3.336 ( -0.406 -0.000 -9.165) 9.174 3.403 ( 17.764 0.000 -9.932) 20.352 3.782 ( -5.743 -0.000 3.223) 6.585 3.785 ( 10.472 0.000 6.280) 12.211 4.225 ( -0.624 -0.000 -4.291) 4.336 4.264 ( 2.788 0.000 3.419) 4.411 4.346 ( -2.752 -0.000 -0.023) 2.752 4.531 ( -0.375 -0.000 1.421) 1.470 4.568 ( -2.663 -0.000 3.561) 4.446 4.731 ( 2.710 0.000 -1.360) 3.032 4.828 ( -3.473 -0.000 -5.936) 6.877 4.979 ( -2.697 -0.000 -1.120) 2.920 5.156 ( -6.995 -0.000 -7.534) 10.280 5.342 ( 0.148 0.000 0.363) 0.392 5.421 ( -0.515 -0.000 -7.273) 7.291 5.467 ( -2.853 -0.000 4.185) 5.065 5.619 ( 4.526 0.000 -1.768) 4.859 5.736 ( 3.318 0.000 -1.747) 3.749 5.832 ( 2.014 0.000 -1.096) 2.293 5.843 ( -11.487 -0.000 -3.134) 11.907 6.330 ( -10.618 -0.000 2.598) 10.931 6.362 ( -6.548 -0.000 3.078) 7.235 6.876 ( 0.146 0.000 -2.912) 2.916 7.231 ( 19.127 0.000 2.306) 19.266 ======================= Grid point 253 (116/160) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 1.028 0.000 7.719) 7.787 1.180 ( 3.381 0.000 7.769) 8.473 1.597 ( -0.462 -0.000 0.282) 0.541 1.837 ( 0.689 0.000 10.663) 10.685 2.241 ( -2.643 -0.000 2.238) 3.463 2.402 ( 0.723 0.000 -3.486) 3.560 2.430 ( -1.544 -0.000 -2.782) 3.182 2.702 ( 0.273 0.000 0.465) 0.539 2.853 ( -4.625 -0.000 -1.396) 4.831 2.907 ( -4.573 -0.000 -0.001) 4.573 2.961 ( 6.562 0.000 -0.427) 6.576 3.040 ( -0.281 -0.000 -2.445) 2.461 3.275 ( 2.553 0.000 -1.975) 3.228 3.432 ( -0.937 -0.000 -1.223) 1.541 3.966 ( 4.701 0.000 -0.893) 4.785 4.138 ( -0.717 -0.000 -0.340) 0.794 4.235 ( -0.934 -0.000 0.790) 1.224 4.352 ( 2.670 0.000 -1.026) 2.861 4.424 ( 1.295 0.000 1.488) 1.973 4.431 ( 1.883 0.000 1.354) 2.319 4.517 ( 0.619 0.000 0.924) 1.112 4.579 ( -1.271 -0.000 -0.885) 1.549 4.713 ( -0.383 -0.000 -2.702) 2.729 4.753 ( 1.388 0.000 0.303) 1.420 5.054 ( 2.249 0.000 2.822) 3.608 5.099 ( -0.786 -0.000 -2.565) 2.683 5.204 ( -4.910 -0.000 -2.042) 5.318 5.413 ( 0.148 0.000 0.937) 0.949 5.683 ( -6.293 -0.000 1.379) 6.443 5.771 ( -0.846 -0.000 -0.591) 1.032 5.801 ( 5.418 0.000 -2.099) 5.810 5.895 ( 2.165 0.000 1.505) 2.637 6.098 ( -0.601 -0.000 -0.656) 0.890 6.173 ( -1.302 -0.000 0.154) 1.311 6.956 ( -0.308 -0.000 2.018) 2.042 7.621 ( 0.075 0.000 -0.345) 0.353 ======================= Grid point 254 (117/160) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 5.699 2.006 0.987) 6.122 1.351 ( 10.936 -8.278 -0.241) 13.718 1.604 ( -0.099 -1.518 1.242) 1.963 1.803 ( -6.210 4.189 2.438) 7.878 2.114 ( -6.629 2.733 1.509) 7.327 2.386 ( 0.074 3.607 -0.393) 3.629 2.516 ( 2.746 -7.614 0.531) 8.112 2.662 ( -4.672 1.629 0.236) 4.953 2.822 ( -1.387 -2.518 2.979) 4.140 2.862 ( -3.783 -2.154 5.143) 6.738 3.063 ( 3.506 -1.173 -1.112) 3.860 3.104 ( 7.633 1.868 -0.397) 7.868 3.234 ( 2.120 1.094 -8.383) 8.716 3.396 ( -4.374 -2.065 -0.740) 4.893 3.969 ( 1.997 5.900 -4.586) 7.735 4.073 ( -2.646 6.294 0.064) 6.828 4.231 ( -5.630 -2.879 0.016) 6.323 4.355 ( 2.217 1.141 -3.606) 4.384 4.426 ( 2.950 3.476 2.281) 5.098 4.464 ( 0.697 -1.023 -0.890) 1.524 4.625 ( 0.889 -7.097 1.388) 7.286 4.693 ( 1.429 -4.062 0.243) 4.313 4.704 ( 10.732 -4.387 -3.917) 12.237 4.771 ( 0.069 -3.391 -2.622) 4.287 5.037 ( -2.717 1.151 -0.505) 2.994 5.092 ( 0.790 -0.442 -0.851) 1.243 5.230 ( 4.220 -1.767 5.345) 7.036 5.395 ( -2.058 0.985 0.199) 2.290 5.601 ( -3.218 2.673 3.702) 5.586 5.741 ( -2.278 1.144 0.980) 2.731 5.856 ( -4.017 0.297 -1.585) 4.329 5.918 ( 6.710 -4.746 -3.534) 8.946 6.204 ( 9.048 -0.267 1.018) 9.109 6.222 ( 8.181 -0.850 0.905) 8.275 6.916 ( -4.302 1.818 1.351) 4.862 7.502 ( -10.379 6.194 -0.290) 12.090 ======================= Grid point 255 (118/160) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 4.437 0.655 -5.341) 6.974 1.565 ( 0.290 2.063 -6.842) 7.152 1.662 ( 10.713 -9.123 3.660) 14.539 1.727 ( -0.249 -4.940 -0.266) 4.953 2.019 ( -4.136 2.248 0.170) 4.711 2.341 ( -0.911 7.280 2.427) 7.728 2.537 ( -6.900 4.185 1.834) 8.275 2.571 ( -1.906 -3.608 -2.591) 4.834 2.826 ( -5.331 0.036 6.522) 8.424 2.875 ( -2.166 -3.436 2.175) 4.607 2.999 ( -6.499 -0.575 -0.435) 6.539 3.217 ( 9.496 -1.239 -2.444) 9.884 3.319 ( -2.130 -0.855 -2.932) 3.724 3.369 ( 11.959 -0.227 -5.280) 13.074 3.914 ( -1.434 5.162 -1.434) 5.546 3.978 ( -0.409 3.070 -2.850) 4.209 4.159 ( -5.934 -3.844 -0.577) 7.094 4.315 ( 0.586 4.186 -2.618) 4.972 4.426 ( -1.247 2.179 1.582) 2.968 4.516 ( 2.076 -2.082 -1.607) 3.351 4.665 ( -2.316 -0.871 0.310) 2.494 4.708 ( -0.572 -6.574 0.365) 6.609 4.777 ( -1.127 -5.244 -2.340) 5.852 4.927 ( 6.717 1.966 -1.028) 7.074 5.036 ( 2.263 -4.620 -0.093) 5.146 5.123 ( 1.927 -0.776 1.942) 2.844 5.336 ( -1.384 1.787 1.522) 2.725 5.360 ( 2.803 -1.904 5.038) 6.072 5.563 ( -0.441 3.031 2.839) 4.177 5.715 ( -0.779 -0.198 1.326) 1.550 5.784 ( -3.278 -0.310 -2.388) 4.067 6.024 ( 4.543 -3.680 -4.785) 7.555 6.371 ( 10.840 2.595 1.643) 11.266 6.423 ( 13.215 -1.559 -0.766) 13.329 6.832 ( -4.673 0.063 2.840) 5.469 7.203 ( -15.877 9.445 -0.407) 18.478 ======================= Grid point 256 (119/160) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 3.624 -0.527 -5.473) 6.585 1.518 ( 0.279 -2.990 -3.664) 4.737 1.789 ( 0.714 -4.182 -1.337) 4.448 1.901 ( -1.167 3.567 -2.301) 4.402 1.990 ( 11.116 -8.169 0.337) 13.799 2.194 ( -7.951 11.547 -1.696) 14.122 2.391 ( -4.425 4.892 1.589) 6.785 2.557 ( -1.937 -3.421 -1.506) 4.210 2.719 ( -4.878 2.393 -1.586) 5.660 2.882 ( -1.227 -3.139 2.545) 4.223 2.937 ( -6.593 0.001 1.681) 6.804 3.235 ( -0.471 0.653 -1.696) 1.877 3.428 ( 8.989 -3.983 1.694) 9.977 3.528 ( 9.204 0.854 -3.791) 9.991 3.815 ( -4.000 1.426 -1.848) 4.631 3.965 ( 0.569 1.310 -2.185) 2.611 4.123 ( -2.066 -2.779 0.649) 3.523 4.284 ( -1.220 1.592 -1.378) 2.433 4.400 ( -0.611 0.190 2.183) 2.275 4.534 ( 0.356 -0.907 -1.441) 1.739 4.629 ( -2.635 -1.290 -1.053) 3.117 4.739 ( -2.255 -3.833 0.825) 4.523 4.803 ( -0.438 -6.350 -3.227) 7.137 4.977 ( 2.904 0.514 3.414) 4.512 5.055 ( -1.392 2.525 -1.308) 3.166 5.204 ( 4.051 -2.121 4.585) 6.476 5.279 ( -1.951 2.013 0.989) 2.972 5.458 ( 1.697 -2.061 4.721) 5.424 5.553 ( 1.211 3.567 0.591) 3.813 5.701 ( -2.308 -0.038 -1.293) 2.646 5.736 ( -1.394 -0.016 -2.430) 2.801 6.107 ( 4.966 -2.906 -3.087) 6.529 6.441 ( 3.527 7.921 -1.154) 8.747 6.608 ( 6.528 1.853 -6.409) 9.334 6.811 ( -7.191 -3.558 6.958) 10.620 6.927 ( -1.321 4.843 3.113) 5.906 ======================= Grid point 257 (120/160) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 1.044 0.120 -1.733) 2.027 1.585 ( 2.910 -7.675 -3.082) 8.768 1.730 ( -4.336 8.441 -0.903) 9.532 1.840 ( 0.266 0.055 -2.976) 2.988 1.944 ( -5.182 8.373 -4.463) 10.811 2.255 ( 9.873 -1.399 0.700) 9.997 2.351 ( -0.130 -7.416 0.105) 7.417 2.566 ( -0.003 -2.862 -0.302) 2.878 2.645 ( -1.298 2.544 -1.253) 3.118 2.722 ( -8.540 8.059 -3.814) 12.346 2.964 ( 0.750 -4.461 2.113) 4.993 3.239 ( -0.171 -1.142 0.988) 1.520 3.556 ( -2.506 1.875 -1.096) 3.317 3.607 ( 5.817 -1.560 6.222) 8.659 3.769 ( -1.913 -2.796 -0.791) 3.479 3.939 ( -1.439 0.268 -0.245) 1.484 4.149 ( 2.111 -0.460 0.969) 2.368 4.227 ( -1.533 1.535 -1.920) 2.897 4.389 ( -1.813 0.227 0.672) 1.947 4.514 ( -2.344 -0.774 -5.446) 5.979 4.639 ( 1.440 -1.260 2.569) 3.203 4.725 ( -2.158 -1.061 0.973) 2.594 4.847 ( 0.207 -6.961 -2.561) 7.420 4.975 ( -2.504 1.864 -1.316) 3.388 5.080 ( 4.901 -0.732 4.531) 6.714 5.249 ( 1.925 1.180 0.897) 2.430 5.330 ( 3.212 -2.104 2.908) 4.817 5.503 ( -1.332 1.209 0.728) 1.941 5.530 ( 0.151 -0.376 -0.282) 0.494 5.645 ( -1.152 1.535 -0.921) 2.129 5.700 ( -0.713 0.460 -3.017) 3.134 6.178 ( -0.817 -3.666 0.751) 3.830 6.342 ( 0.183 12.876 -4.891) 13.775 6.502 ( -5.961 -1.960 -1.245) 6.397 6.874 ( 5.525 -0.329 0.670) 5.575 6.999 ( 3.710 0.597 4.848) 6.134 ======================= Grid point 258 (121/160) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -5.114 3.445 2.455) 6.637 1.537 ( -4.972 10.391 1.802) 11.659 1.733 ( 5.352 -6.774 -2.339) 8.944 1.846 ( 1.838 1.873 -3.248) 4.176 1.887 ( 4.618 -2.819 0.822) 5.473 2.320 ( -0.605 -3.431 -4.556) 5.736 2.364 ( -3.846 11.399 -2.371) 12.261 2.574 ( 2.982 -1.765 3.007) 4.589 2.613 ( 1.393 0.202 -2.853) 3.181 2.703 ( 6.067 -11.144 -1.257) 12.750 2.992 ( 0.014 1.421 -0.264) 1.445 3.230 ( -3.806 -0.850 1.800) 4.295 3.457 ( -9.297 -0.380 7.334) 11.848 3.670 ( -3.227 1.365 3.100) 4.678 3.759 ( 1.533 1.942 -1.315) 2.802 3.916 ( -2.967 -1.913 1.376) 3.789 4.184 ( 2.024 0.587 1.103) 2.379 4.202 ( -0.060 -0.215 -2.003) 2.015 4.379 ( -0.714 -0.445 1.382) 1.618 4.470 ( 0.957 -1.043 -2.820) 3.156 4.655 ( -0.642 1.309 1.504) 2.095 4.730 ( 1.559 0.311 0.770) 1.766 4.852 ( -2.349 1.244 -3.299) 4.237 4.976 ( 3.360 -3.689 -1.116) 5.113 5.157 ( 0.947 -0.396 -1.607) 1.907 5.276 ( -1.505 0.310 -1.232) 1.969 5.354 ( -0.421 -0.585 0.149) 0.736 5.469 ( 2.601 -1.182 -0.578) 2.915 5.579 ( 2.561 -0.690 2.270) 3.491 5.620 ( -0.709 2.119 -1.886) 2.924 5.678 ( -0.380 -0.461 -0.810) 1.006 6.140 ( -7.907 -5.539 3.303) 10.204 6.319 ( 9.264 4.530 -2.561) 10.626 6.462 ( -3.447 -2.924 2.295) 5.070 6.929 ( 4.528 3.640 -3.727) 6.902 7.031 ( -0.528 2.359 1.608) 2.904 ======================= Grid point 259 (122/160) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -7.186 3.885 7.181) 10.876 1.395 ( -2.984 10.328 6.780) 12.710 1.783 ( -2.082 4.268 -0.873) 4.828 1.879 ( 3.826 -2.269 -1.046) 4.570 2.016 ( -6.026 4.203 0.928) 7.405 2.178 ( 10.009 -6.312 -2.837) 12.168 2.415 ( 4.367 -3.593 -1.214) 5.784 2.600 ( -0.319 -2.614 -5.361) 5.973 2.681 ( 6.196 -0.147 2.011) 6.516 2.930 ( 3.386 -3.795 1.107) 5.205 2.980 ( 6.873 -3.431 -4.426) 8.866 3.161 ( -6.353 -0.203 5.811) 8.612 3.345 ( -10.393 -0.395 6.626) 12.332 3.537 ( -8.749 3.890 -1.783) 9.740 3.779 ( 4.449 3.237 0.814) 5.562 3.893 ( -3.853 -2.448 3.492) 5.747 4.175 ( 0.366 1.084 -3.629) 3.805 4.251 ( 2.927 -1.669 2.156) 4.001 4.380 ( -0.679 -0.051 3.338) 3.406 4.516 ( 2.305 -0.410 -0.787) 2.470 4.637 ( 0.123 1.909 1.183) 2.249 4.743 ( 0.377 3.154 -0.003) 3.176 4.781 ( -0.815 1.363 -2.060) 2.601 5.054 ( -5.878 -4.559 -2.997) 8.020 5.078 ( 3.274 2.194 -4.124) 5.704 5.285 ( 0.588 -1.609 -1.546) 2.308 5.317 ( -2.130 0.186 -3.047) 3.722 5.530 ( -0.931 -1.103 -0.551) 1.545 5.567 ( 3.311 0.798 -1.873) 3.887 5.672 ( 2.104 1.749 1.290) 3.025 5.697 ( 3.119 -4.230 0.664) 5.298 6.052 ( -7.977 0.392 1.602) 8.145 6.416 ( -3.268 -5.393 1.455) 6.472 6.478 ( 0.668 -1.299 4.885) 5.099 6.959 ( 5.423 8.636 -6.479) 12.082 6.973 ( 2.256 -1.853 -0.861) 3.043 ======================= Grid point 260 (123/160) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -4.425 3.324 11.121) 12.422 1.318 ( -5.535 6.383 13.667) 16.067 1.691 ( -2.012 6.154 1.715) 6.698 1.721 ( -7.865 7.513 1.540) 10.985 2.068 ( 7.526 -3.743 -4.409) 9.492 2.402 ( 3.108 -7.258 -2.757) 8.363 2.521 ( 2.780 -2.656 2.198) 4.429 2.593 ( 1.851 -2.352 -3.114) 4.319 2.837 ( 11.791 -2.252 2.371) 12.236 2.957 ( 2.206 -1.198 -3.021) 3.928 3.024 ( -5.483 0.532 2.051) 5.878 3.158 ( -6.273 -0.889 -1.407) 6.490 3.282 ( 7.497 -1.134 0.059) 7.583 3.332 ( -9.965 4.468 -1.783) 11.065 3.844 ( -1.983 -3.536 4.790) 6.275 3.901 ( 4.424 -0.989 3.844) 5.943 4.167 ( 3.034 2.661 -1.892) 4.457 4.297 ( -0.526 -1.852 -0.124) 1.930 4.396 ( 1.100 1.718 4.429) 4.876 4.520 ( -1.328 -2.820 -2.059) 3.735 4.649 ( 1.814 3.729 4.344) 6.006 4.710 ( -1.100 0.284 -2.003) 2.303 4.753 ( -1.646 1.883 -0.450) 2.541 4.937 ( -7.359 -0.864 -2.348) 7.773 5.076 ( -0.561 5.719 -3.512) 6.734 5.214 ( -3.662 -1.248 -5.944) 7.092 5.350 ( 1.826 -1.754 -0.367) 2.558 5.464 ( -4.247 1.531 -3.897) 5.964 5.627 ( 2.674 -3.429 -2.366) 4.950 5.704 ( 3.127 1.643 1.714) 3.926 5.766 ( 1.603 -1.087 -0.867) 2.122 5.933 ( -4.464 3.914 3.314) 6.799 6.356 ( -9.443 -2.258 2.331) 9.985 6.418 ( -8.991 0.948 0.282) 9.046 6.888 ( 0.981 3.162 -2.325) 4.046 7.210 ( 16.675 -5.524 -0.779) 17.583 ======================= Grid point 261 (124/160) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -0.209 3.367 12.431) 12.881 1.200 ( -10.223 3.399 12.770) 16.707 1.619 ( -1.279 2.425 0.034) 2.742 1.713 ( 4.337 0.968 11.372) 12.209 2.180 ( 5.752 -2.476 -4.538) 7.734 2.428 ( -2.035 -4.255 -3.225) 5.714 2.513 ( -1.726 3.665 -0.277) 4.061 2.667 ( 3.170 -0.953 0.020) 3.310 2.927 ( -4.390 0.076 5.039) 6.684 2.974 ( -2.024 -0.747 -4.439) 4.935 2.978 ( -4.370 0.702 -5.254) 6.870 3.113 ( -0.403 -1.874 -1.528) 2.452 3.150 ( 3.480 2.294 0.101) 4.169 3.416 ( 6.667 1.245 -3.363) 7.571 3.872 ( 1.144 -3.249 4.511) 5.676 4.068 ( 4.698 -8.871 1.288) 10.120 4.211 ( 7.906 5.016 1.633) 9.504 4.292 ( -3.533 -2.756 1.243) 4.650 4.412 ( 1.570 3.843 3.289) 5.296 4.500 ( -4.590 -4.430 -3.814) 7.432 4.603 ( -12.228 -0.316 2.369) 12.460 4.652 ( -1.223 6.089 2.374) 6.649 4.720 ( 0.759 1.274 -0.268) 1.507 4.772 ( -0.944 7.928 -5.260) 9.560 5.016 ( 1.449 3.207 1.324) 3.760 5.138 ( -2.966 -1.639 -4.958) 6.005 5.337 ( -6.468 1.568 -4.476) 8.020 5.389 ( 1.072 -1.300 0.790) 1.861 5.693 ( 2.360 -4.523 -4.663) 6.911 5.747 ( 1.475 -1.843 1.502) 2.798 5.806 ( 2.846 1.280 3.488) 4.680 5.853 ( -1.933 5.925 0.813) 6.285 6.206 ( -9.051 1.302 0.283) 9.149 6.255 ( -8.453 -0.136 -1.038) 8.517 6.915 ( 2.780 -0.649 1.255) 3.119 7.501 ( 11.161 -5.394 -0.103) 12.396 ======================= Grid point 263 (125/160) ======================= q-point: ( 0.11 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 5.154 0.000 -7.831) 9.375 1.540 ( 16.536 0.000 -1.658) 16.619 1.624 ( 3.008 0.000 0.297) 3.023 1.658 ( -10.616 -0.000 -5.181) 11.813 2.042 ( -3.519 -0.000 0.696) 3.587 2.453 ( 2.026 0.000 3.905) 4.399 2.498 ( -1.480 -0.000 -0.133) 1.486 2.578 ( -7.122 -0.000 3.192) 7.805 2.810 ( -5.379 -0.000 6.615) 8.526 2.845 ( 0.897 0.000 8.220) 8.269 3.003 ( -8.657 -0.000 -3.496) 9.336 3.198 ( 10.161 0.000 -5.634) 11.618 3.310 ( -4.660 -0.000 -1.413) 4.869 3.369 ( 13.815 0.000 -5.393) 14.831 3.983 ( 0.440 0.000 -5.634) 5.651 4.046 ( -9.342 -0.000 -4.150) 10.222 4.065 ( -3.504 -0.000 2.772) 4.468 4.411 ( 1.674 0.000 -3.830) 4.179 4.436 ( -0.548 -0.000 -4.691) 4.723 4.501 ( 1.032 0.000 5.873) 5.963 4.604 ( 1.342 0.000 2.694) 3.010 4.655 ( -1.601 -0.000 2.471) 2.945 4.715 ( -1.853 -0.000 -4.120) 4.517 4.958 ( 17.166 0.000 -2.271) 17.316 4.982 ( -3.120 -0.000 -0.606) 3.179 5.120 ( 1.801 0.000 2.809) 3.337 5.335 ( 4.235 0.000 5.836) 7.210 5.359 ( -3.061 -0.000 0.800) 3.164 5.590 ( -1.632 -0.000 3.252) 3.639 5.716 ( -2.550 -0.000 1.445) 2.931 5.778 ( -3.276 -0.000 -2.531) 4.140 5.980 ( 6.233 0.000 -4.466) 7.668 6.403 ( 13.077 0.000 1.915) 13.217 6.406 ( 14.014 0.000 -0.193) 14.015 6.832 ( -7.493 -0.000 1.312) 7.607 7.296 ( -16.714 -0.000 -1.861) 16.817 ======================= Grid point 264 (126/160) ======================= q-point: ( 0.22 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 6.199 2.135 -7.942) 10.299 1.480 ( -4.236 -1.328 -9.389) 10.385 1.707 ( 4.592 -3.062 -0.934) 5.597 1.819 ( 14.125 -5.087 -0.315) 15.016 1.998 ( -0.290 2.333 -2.045) 3.116 2.381 ( -7.024 7.534 0.460) 10.311 2.460 ( -8.754 2.249 3.262) 9.609 2.519 ( 0.045 -2.035 2.444) 3.180 2.758 ( -5.409 0.171 2.695) 6.046 2.820 ( -3.446 -0.605 -5.260) 6.318 2.930 ( -1.674 -1.173 8.841) 9.074 3.233 ( -3.612 -0.442 -1.453) 3.918 3.369 ( 11.534 -1.984 -2.951) 12.069 3.544 ( 9.923 0.479 -1.663) 10.073 3.865 ( -6.895 2.942 -5.136) 9.087 3.959 ( -1.239 -0.976 -1.234) 2.003 4.067 ( -0.362 -2.490 2.878) 3.823 4.352 ( -0.789 4.698 -3.438) 5.875 4.420 ( -0.840 0.109 -0.784) 1.154 4.527 ( 0.813 0.732 0.296) 1.133 4.635 ( -1.582 0.575 0.676) 1.814 4.652 ( -1.234 -3.637 3.395) 5.126 4.698 ( -0.541 -4.100 -2.571) 4.870 4.951 ( -1.644 -2.108 1.607) 3.119 5.126 ( 3.880 3.314 -0.406) 5.119 5.177 ( 3.605 -0.540 5.187) 6.339 5.308 ( -2.997 0.912 0.688) 3.208 5.411 ( 0.395 -2.299 4.126) 4.740 5.596 ( 0.924 1.081 1.677) 2.199 5.691 ( -1.259 -0.561 -0.525) 1.475 5.730 ( -1.622 -0.344 -1.356) 2.142 6.058 ( 4.359 -1.609 -1.966) 5.045 6.565 ( 6.394 5.241 -2.144) 8.541 6.633 ( 12.269 0.626 -3.100) 12.670 6.727 ( -7.125 -4.421 2.623) 8.786 7.021 ( -9.218 3.453 -1.001) 9.894 ======================= Grid point 265 (127/160) ======================= q-point: ( 0.33 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 4.360 1.648 -2.740) 5.406 1.466 ( 4.381 -3.627 -9.362) 10.954 1.790 ( 3.021 -0.953 -0.610) 3.226 1.912 ( 0.365 4.742 -5.342) 7.152 2.116 ( 10.234 -6.544 -0.048) 12.148 2.129 ( -8.564 10.046 -4.651) 13.996 2.313 ( -7.399 0.390 0.756) 7.448 2.546 ( 0.297 -0.693 2.231) 2.355 2.676 ( -1.427 1.840 -3.271) 4.015 2.855 ( 1.803 -5.694 2.779) 6.587 2.885 ( -6.088 6.107 3.806) 9.426 3.209 ( -1.018 -2.071 2.470) 3.381 3.557 ( 9.047 -3.525 1.228) 9.786 3.620 ( -0.441 4.029 0.473) 4.080 3.733 ( -2.860 0.145 -2.714) 3.945 3.933 ( -3.609 -0.830 1.874) 4.150 4.126 ( 2.852 -1.677 2.282) 4.019 4.270 ( -2.653 2.290 -4.031) 5.341 4.418 ( 0.618 1.842 1.991) 2.783 4.511 ( -0.691 0.791 -3.579) 3.730 4.638 ( 2.768 1.245 2.300) 3.808 4.674 ( -2.045 -3.605 1.973) 4.591 4.716 ( -1.076 -5.838 -0.539) 5.961 4.977 ( -0.138 -1.630 1.923) 2.525 5.108 ( 0.486 2.080 1.507) 2.614 5.263 ( -1.363 0.364 0.031) 1.411 5.291 ( 4.700 -1.732 4.779) 6.923 5.436 ( -2.394 -4.145 2.143) 5.244 5.583 ( -1.073 2.969 -2.625) 4.105 5.669 ( -0.868 0.970 0.440) 1.374 5.702 ( -0.711 -0.150 -3.509) 3.583 6.096 ( -5.419 -4.050 3.797) 7.758 6.476 ( -11.086 -0.757 -1.315) 11.189 6.556 ( 2.256 8.668 -9.488) 13.048 6.858 ( 9.925 -1.215 -1.642) 10.133 7.021 ( 5.692 1.520 2.947) 6.588 ======================= Grid point 266 (128/160) ======================= q-point: (-0.56 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 1.919 6.661 0.240) 6.936 1.560 ( 5.911 -6.469 -3.475) 9.426 1.773 ( -0.866 8.652 -1.157) 8.772 1.865 ( 2.550 1.731 -3.454) 4.629 1.922 ( -0.956 5.654 -6.249) 8.481 2.198 ( -5.063 -8.938 -3.292) 10.787 2.413 ( 11.080 -5.051 3.412) 12.646 2.569 ( -0.195 -2.675 -0.739) 2.782 2.623 ( -0.916 4.120 -3.145) 5.264 2.704 ( -4.233 9.944 0.872) 10.842 2.966 ( 2.525 -3.837 2.757) 5.357 3.226 ( -1.608 -0.461 3.282) 3.684 3.489 ( -9.547 3.805 5.257) 11.544 3.700 ( -3.056 1.350 1.162) 3.537 3.729 ( 5.709 -3.578 3.257) 7.484 3.886 ( -4.395 -1.084 2.219) 5.041 4.184 ( 0.469 -1.259 -0.741) 1.534 4.199 ( -0.972 0.371 -1.567) 1.881 4.419 ( 1.876 3.693 2.716) 4.953 4.473 ( 0.667 1.680 -2.626) 3.188 4.673 ( 0.122 0.362 0.944) 1.018 4.704 ( 1.688 -2.814 0.049) 3.282 4.786 ( 0.821 -6.191 3.607) 7.212 4.972 ( 0.442 1.991 -0.981) 2.263 5.149 ( 2.783 -0.794 1.737) 3.376 5.270 ( -0.450 -1.755 -0.892) 2.020 5.346 ( -1.636 0.070 -0.203) 1.650 5.480 ( 0.683 1.286 -1.764) 2.287 5.492 ( -1.521 -4.809 1.931) 5.401 5.664 ( 0.512 1.457 -1.975) 2.507 5.674 ( -0.536 -0.291 -1.450) 1.573 6.004 ( -11.330 -7.914 3.693) 14.305 6.359 ( -2.873 -0.837 -2.987) 4.228 6.504 ( 3.385 6.513 -3.341) 8.065 6.970 ( 5.231 1.089 -3.700) 6.499 7.088 ( 3.889 3.185 -1.069) 5.140 ======================= Grid point 267 (129/160) ======================= q-point: (-0.44 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -3.502 9.918 3.408) 11.057 1.598 ( -2.988 9.980 3.885) 11.119 1.766 ( 7.372 -4.776 -2.800) 9.220 1.870 ( 0.532 1.720 -2.087) 2.756 1.968 ( 8.044 -4.416 -0.446) 9.187 2.197 ( -0.893 -3.064 -7.147) 7.827 2.404 ( -4.725 5.014 -3.801) 7.869 2.593 ( 0.844 3.634 2.485) 4.482 2.666 ( 3.316 -1.295 1.583) 3.896 2.741 ( 11.554 -9.552 1.186) 15.038 3.010 ( 0.156 0.935 0.480) 1.063 3.181 ( -4.825 1.999 3.398) 6.231 3.344 ( -10.297 1.046 9.082) 13.769 3.600 ( -7.150 2.823 0.041) 7.688 3.817 ( 1.975 0.135 0.016) 1.979 3.844 ( -3.870 -2.567 2.057) 5.080 4.177 ( 0.540 -1.300 -1.012) 1.733 4.230 ( 2.884 0.075 2.317) 3.700 4.417 ( 1.500 3.969 2.638) 4.996 4.512 ( 3.074 -0.094 1.001) 3.234 4.672 ( 1.119 1.758 -0.132) 2.088 4.746 ( -0.334 -3.105 0.102) 3.124 4.832 ( -1.017 2.470 3.355) 4.288 4.971 ( -0.791 -2.065 -0.135) 2.216 5.139 ( -1.737 3.967 -6.717) 7.992 5.244 ( 2.497 -2.753 -0.672) 3.777 5.322 ( -3.730 -0.118 -0.715) 3.799 5.467 ( -0.960 -4.093 -0.593) 4.246 5.598 ( -1.752 1.390 -5.329) 5.779 5.611 ( 4.564 -4.568 2.967) 7.107 5.693 ( 1.721 -0.004 0.801) 1.898 5.996 ( -3.253 -7.058 3.364) 8.468 6.329 ( -2.844 -3.404 0.189) 4.440 6.496 ( 2.232 3.263 -0.665) 4.008 6.965 ( -1.436 0.961 -3.053) 3.507 7.086 ( 4.360 4.883 -7.723) 10.124 ======================= Grid point 268 (130/160) ======================= q-point: (-0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -2.400 7.690 7.076) 10.722 1.467 ( -5.158 8.700 6.478) 12.011 1.807 ( -1.743 5.472 0.383) 5.756 1.890 ( -3.599 6.116 0.060) 7.096 1.994 ( 2.764 -1.996 -1.542) 3.742 2.280 ( 9.528 -4.607 -5.202) 11.793 2.411 ( 4.529 -8.611 -0.512) 9.742 2.573 ( -0.731 1.890 0.795) 2.177 2.783 ( 8.335 -2.556 0.342) 8.725 2.975 ( -2.310 -1.442 -1.195) 2.974 3.002 ( 4.100 -2.608 3.777) 6.155 3.115 ( -5.008 -0.234 8.821) 10.146 3.257 ( 0.424 -0.998 -0.264) 1.116 3.428 ( -8.277 5.000 -2.288) 9.937 3.802 ( -3.213 -0.882 2.838) 4.377 3.860 ( 0.263 -3.638 0.409) 3.670 4.208 ( 3.437 1.081 -0.049) 3.603 4.288 ( 1.930 1.144 1.690) 2.809 4.429 ( 1.331 2.637 1.795) 3.456 4.517 ( -0.889 1.362 0.467) 1.692 4.690 ( 0.395 -0.080 -0.889) 0.976 4.736 ( -3.672 -1.678 1.673) 4.370 4.775 ( -1.507 6.125 4.954) 8.020 4.945 ( -0.187 1.161 -1.821) 2.168 5.129 ( 3.126 -0.727 -3.173) 4.513 5.217 ( -5.179 1.702 -2.801) 6.130 5.316 ( 2.988 -1.508 -1.334) 3.604 5.472 ( -3.141 -2.129 -1.365) 4.032 5.558 ( 0.668 -2.146 -4.862) 5.356 5.706 ( 1.838 -1.310 1.573) 2.751 5.756 ( 4.278 -1.002 0.489) 4.421 5.988 ( -2.581 1.210 2.132) 3.560 6.311 ( -4.215 -2.617 1.626) 5.221 6.453 ( -5.560 3.000 -1.048) 6.404 6.919 ( -1.963 -0.675 -2.660) 3.374 7.116 ( 8.488 -3.000 -7.347) 11.620 ======================= Grid point 269 (131/160) ======================= q-point: (-0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.465 4.681 7.627) 8.960 1.338 ( -6.329 9.444 12.320) 16.764 1.686 ( -4.182 4.745 0.966) 6.398 1.772 ( -0.706 5.461 1.946) 5.840 2.106 ( 3.262 -4.578 -2.137) 6.014 2.369 ( 3.399 -2.228 -4.733) 6.239 2.559 ( 0.122 0.799 2.227) 2.369 2.597 ( 5.163 -6.114 0.568) 8.023 2.911 ( -7.562 -1.973 5.139) 9.353 2.979 ( 8.472 -1.414 -2.838) 9.046 2.988 ( -0.882 -0.306 1.823) 2.049 3.066 ( -2.251 1.853 -0.220) 2.924 3.235 ( -6.235 5.117 -2.931) 8.582 3.428 ( 11.818 -1.432 -2.793) 12.227 3.782 ( -3.703 -4.275 4.453) 7.199 3.924 ( 1.624 -6.690 0.553) 6.906 4.257 ( 0.414 -0.471 -1.670) 1.784 4.276 ( 2.139 2.356 1.683) 3.600 4.432 ( -0.376 -0.337 0.204) 0.544 4.504 ( 1.208 3.351 0.187) 3.567 4.596 ( -9.062 0.287 3.394) 9.681 4.740 ( 1.022 0.675 1.373) 1.840 4.765 ( 2.991 6.270 4.388) 8.217 4.935 ( 2.432 5.138 -1.852) 5.978 5.111 ( -3.941 -0.165 -3.423) 5.222 5.128 ( 0.578 7.245 -3.316) 7.988 5.343 ( -0.317 -1.930 -0.683) 2.071 5.385 ( -4.417 1.888 -3.205) 5.774 5.599 ( 1.632 -4.363 -3.786) 6.003 5.736 ( 1.344 0.347 0.999) 1.711 5.814 ( 1.771 -0.961 1.176) 2.333 5.952 ( -0.399 3.701 1.593) 4.049 6.242 ( -5.660 1.070 -1.077) 5.860 6.278 ( -7.796 4.506 -1.188) 9.083 6.894 ( 0.003 -1.518 -1.582) 2.193 7.320 ( 7.568 -12.983 -1.589) 15.112 ======================= Grid point 270 (132/160) ======================= q-point: (-0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -1.057 2.629 7.438) 7.959 1.292 ( 5.338 10.411 7.401) 13.843 1.628 ( -1.383 2.387 1.851) 3.322 1.777 ( -0.901 -4.527 4.741) 6.617 2.142 ( -2.439 -4.966 -0.488) 5.554 2.395 ( 0.346 -0.721 -3.236) 3.333 2.559 ( 0.766 6.795 2.790) 7.385 2.673 ( -0.149 -3.991 -1.501) 4.266 2.862 ( -1.839 0.278 3.781) 4.214 2.937 ( -2.794 5.289 -2.215) 6.379 2.985 ( 2.855 1.502 0.665) 3.294 3.055 ( -0.282 1.940 -4.427) 4.842 3.220 ( 2.512 -4.656 -0.878) 5.362 3.487 ( -0.301 4.818 -2.002) 5.226 3.862 ( 3.755 -8.812 -1.450) 9.688 4.020 ( 0.132 -8.421 0.474) 8.436 4.250 ( -0.213 -1.225 0.394) 1.304 4.335 ( 3.166 -1.339 1.925) 3.940 4.407 ( -2.257 0.973 -1.570) 2.916 4.479 ( -3.796 -0.697 1.970) 4.333 4.538 ( 6.987 5.403 -0.468) 8.844 4.744 ( 0.535 5.975 0.278) 6.006 4.762 ( 1.052 6.907 3.125) 7.654 4.843 ( 0.204 12.281 -4.859) 13.209 5.053 ( -2.334 -2.452 -1.722) 3.798 5.081 ( 2.117 2.381 0.244) 3.196 5.251 ( -3.844 4.119 -2.310) 6.089 5.387 ( 0.323 -2.922 1.020) 3.112 5.609 ( -2.781 -4.146 -1.029) 5.098 5.768 ( -1.286 -0.696 2.066) 2.531 5.861 ( 1.870 -2.105 1.076) 3.014 5.906 ( 1.977 6.416 -1.912) 6.980 6.153 ( -2.183 -0.378 -0.133) 2.220 6.168 ( 1.097 5.463 -1.188) 5.697 6.920 ( -0.723 -3.529 1.259) 3.816 7.503 ( -0.428 -12.085 -0.058) 12.093 ======================= Grid point 273 (133/160) ======================= q-point: ( 0.22 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 1.308 0.000 -7.634) 7.745 1.462 ( 9.455 0.000 -7.828) 12.275 1.777 ( 4.981 0.000 -0.593) 5.016 1.927 ( 2.277 0.000 -6.034) 6.449 2.080 ( 10.623 0.000 -0.216) 10.626 2.259 ( -9.882 -0.000 -3.012) 10.331 2.314 ( -12.018 -0.000 0.629) 12.035 2.518 ( -0.394 -0.000 -0.298) 0.494 2.742 ( -0.598 -0.000 5.160) 5.195 2.754 ( 1.986 0.000 -2.930) 3.540 2.944 ( -3.547 -0.000 8.411) 9.128 3.181 ( -2.317 -0.000 1.738) 2.896 3.515 ( 8.184 0.000 -1.155) 8.265 3.667 ( 3.154 0.000 1.557) 3.517 3.749 ( -3.300 -0.000 -5.030) 6.016 3.919 ( -3.296 -0.000 3.020) 4.471 4.105 ( 2.662 0.000 3.976) 4.785 4.292 ( -4.611 -0.000 -5.716) 7.344 4.436 ( 1.906 0.000 1.366) 2.345 4.565 ( 1.406 0.000 1.228) 1.867 4.566 ( -2.079 -0.000 -2.335) 3.126 4.652 ( -1.627 -0.000 -1.718) 2.366 4.699 ( 2.715 0.000 5.284) 5.940 4.944 ( 1.070 0.000 3.731) 3.881 5.122 ( -3.814 -0.000 0.060) 3.815 5.266 ( -1.679 -0.000 -0.012) 1.679 5.280 ( 4.081 0.000 3.804) 5.579 5.395 ( -2.224 -0.000 2.971) 3.711 5.614 ( -0.441 -0.000 -0.943) 1.041 5.677 ( 0.197 0.000 -2.536) 2.544 5.701 ( -1.024 -0.000 -1.048) 1.465 6.054 ( -7.299 -0.000 4.409) 8.527 6.468 ( -12.292 -0.000 -0.827) 12.320 6.642 ( 2.322 0.000 -12.114) 12.334 6.842 ( 11.716 0.000 -1.868) 11.864 7.039 ( 6.002 0.000 2.143) 6.373 ======================= Grid point 274 (134/160) ======================= q-point: ( 0.33 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 7.220 -2.447 -1.186) 7.715 1.560 ( 8.655 4.710 -5.354) 11.214 1.833 ( 2.268 0.377 -1.037) 2.522 1.909 ( 1.487 -1.268 -8.928) 9.139 2.043 ( -4.452 5.833 -9.885) 12.311 2.097 ( -10.686 -0.045 -2.320) 10.936 2.315 ( 9.556 -4.205 3.793) 11.108 2.508 ( -1.914 -2.925 -2.104) 4.079 2.739 ( 2.550 6.973 4.573) 8.720 2.869 ( -4.478 4.041 4.311) 7.414 2.877 ( 3.744 -3.213 4.186) 6.470 3.188 ( -1.049 -2.846 3.992) 5.014 3.549 ( -7.260 0.365 -0.763) 7.309 3.659 ( 3.063 -0.070 3.703) 4.806 3.757 ( 0.969 2.226 2.401) 3.415 3.872 ( -4.982 -0.485 2.526) 5.607 4.149 ( -1.775 -1.697 -1.378) 2.816 4.208 ( -0.593 0.319 0.087) 0.679 4.478 ( 2.825 2.193 2.910) 4.611 4.521 ( 0.723 2.842 -1.174) 3.158 4.620 ( 0.386 -4.507 0.406) 4.542 4.634 ( -0.795 -3.595 0.006) 3.682 4.777 ( 4.959 3.950 5.529) 8.413 5.000 ( 1.871 0.906 1.339) 2.472 5.086 ( -1.146 -5.387 1.019) 5.601 5.237 ( -0.487 -0.731 -1.121) 1.424 5.362 ( 0.379 1.441 1.718) 2.274 5.400 ( 1.397 -2.962 4.049) 5.208 5.551 ( -3.357 3.365 -4.172) 6.324 5.663 ( -0.397 -0.746 -2.600) 2.733 5.680 ( 0.074 0.345 -3.314) 3.332 5.879 ( -15.431 -4.468 4.335) 16.640 6.343 ( -4.192 -0.500 -1.044) 4.349 6.606 ( 2.692 3.236 -8.782) 9.738 6.978 ( 6.512 0.073 -3.707) 7.494 7.134 ( 5.071 1.406 -1.951) 5.612 ======================= Grid point 275 (135/160) ======================= q-point: (-0.56 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 1.380 11.256 1.118) 11.395 1.639 ( 9.146 -2.157 1.611) 9.534 1.802 ( -2.905 5.295 -4.147) 7.326 1.853 ( 0.193 -1.076 -3.481) 3.649 1.958 ( -0.979 -0.184 -4.864) 4.965 2.052 ( 6.670 -7.661 -8.104) 12.994 2.462 ( -3.805 -0.295 -5.832) 6.969 2.531 ( 4.977 -7.976 5.632) 10.959 2.720 ( -0.254 8.004 5.948) 9.975 2.770 ( 2.930 6.498 0.925) 7.188 3.006 ( 3.552 -0.436 4.496) 5.747 3.197 ( -2.762 -0.841 0.496) 2.930 3.391 ( -10.862 2.999 7.678) 13.636 3.647 ( -6.356 2.129 2.599) 7.190 3.799 ( -1.464 -1.056 0.510) 1.875 3.802 ( -1.377 -1.598 2.488) 3.262 4.128 ( -0.303 -3.548 0.244) 3.569 4.245 ( 3.035 0.745 3.280) 4.530 4.500 ( 1.514 4.260 0.817) 4.594 4.523 ( 2.468 1.672 2.614) 3.965 4.662 ( -1.147 -4.306 1.109) 4.593 4.688 ( 2.248 -2.013 0.862) 3.138 4.845 ( 3.696 1.997 5.581) 6.985 4.988 ( -0.967 1.982 -0.461) 2.253 5.172 ( 1.100 -5.250 -0.276) 5.371 5.227 ( 0.212 3.907 -4.419) 5.902 5.291 ( -5.523 -1.970 0.778) 5.915 5.419 ( -1.745 -0.751 0.155) 1.906 5.549 ( 4.894 -1.478 0.694) 5.159 5.622 ( -1.620 1.466 -4.752) 5.231 5.669 ( -0.082 -2.162 -1.392) 2.572 5.826 ( -0.808 -9.511 1.878) 9.728 6.290 ( -3.449 -1.077 0.565) 3.657 6.571 ( 1.736 3.847 -5.023) 6.560 6.993 ( -0.952 1.582 -4.908) 5.243 7.147 ( 1.981 1.903 -7.273) 7.774 ======================= Grid point 276 (136/160) ======================= q-point: (-0.44 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -2.896 11.683 2.710) 12.338 1.619 ( -5.845 7.407 0.664) 9.459 1.858 ( -0.553 -1.227 -3.669) 3.908 1.870 ( 9.882 -2.062 2.746) 10.461 2.000 ( 1.155 -2.196 0.887) 2.635 2.207 ( 7.617 -4.775 -6.703) 11.214 2.335 ( 0.955 2.518 -6.947) 7.450 2.650 ( -3.337 4.730 3.815) 6.933 2.688 ( 1.073 -9.180 4.673) 10.356 2.886 ( 9.328 -0.568 1.419) 9.453 3.041 ( -1.573 2.962 4.548) 5.650 3.127 ( -2.124 0.639 2.185) 3.114 3.266 ( -5.195 2.354 4.635) 7.349 3.508 ( -8.561 3.383 1.604) 9.344 3.740 ( -5.220 -5.446 -0.395) 7.553 3.840 ( 1.393 1.739 1.434) 2.650 4.198 ( 3.194 -2.187 2.054) 4.382 4.316 ( 3.582 1.107 3.381) 5.048 4.494 ( 1.151 3.709 0.080) 3.884 4.547 ( 0.497 1.984 3.447) 4.008 4.659 ( -4.467 -2.623 1.440) 5.376 4.720 ( 0.130 -0.043 1.647) 1.653 4.906 ( 1.745 6.503 5.312) 8.576 4.952 ( 0.873 -0.856 0.957) 1.553 5.108 ( -0.567 0.363 -5.605) 5.645 5.232 ( -4.829 -0.744 -0.796) 4.951 5.291 ( 4.147 -1.780 -1.200) 4.670 5.411 ( 0.494 -1.547 -1.088) 1.955 5.556 ( -0.043 0.302 -5.141) 5.150 5.670 ( 2.324 -2.417 1.145) 3.543 5.713 ( 4.285 -2.932 0.368) 5.205 5.947 ( 2.551 -5.935 1.155) 6.563 6.260 ( -2.403 -2.369 0.684) 3.443 6.526 ( -1.174 4.332 -2.369) 5.075 6.898 ( -4.291 -0.185 -4.397) 6.147 7.094 ( -0.870 -0.389 -10.840) 10.882 ======================= Grid point 277 (137/160) ======================= q-point: (-0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -0.968 7.266 3.355) 8.062 1.485 ( -3.909 6.433 7.017) 10.291 1.800 ( -4.124 4.874 0.249) 6.389 1.888 ( -3.743 7.687 -5.604) 10.223 2.045 ( 5.912 -1.219 3.719) 7.090 2.313 ( 4.723 -5.360 -3.651) 8.024 2.454 ( 5.732 -5.224 -1.370) 7.875 2.584 ( -2.208 0.554 3.808) 4.436 2.806 ( 1.038 -8.956 -0.633) 9.038 2.944 ( -4.588 -1.833 5.084) 7.089 3.005 ( 4.324 1.728 -0.099) 4.658 3.157 ( -0.976 6.885 3.562) 7.813 3.311 ( 1.340 -0.408 -1.127) 1.798 3.360 ( 3.348 -1.612 0.589) 3.762 3.711 ( -6.159 -5.532 1.746) 8.461 3.858 ( 2.226 1.264 1.376) 2.906 4.257 ( 1.255 0.262 -2.640) 2.935 4.329 ( -0.262 3.209 1.715) 3.648 4.451 ( -1.269 1.861 -0.255) 2.267 4.546 ( -1.590 2.174 -0.385) 2.720 4.619 ( -1.317 0.844 5.095) 5.330 4.739 ( 0.538 -0.795 4.289) 4.396 4.895 ( 3.025 7.860 3.895) 9.279 4.980 ( 1.590 1.616 -3.404) 4.090 5.110 ( 0.118 -2.413 -0.276) 2.431 5.180 ( -0.018 0.194 -0.032) 0.198 5.323 ( -1.504 -2.575 -2.153) 3.678 5.412 ( -1.488 2.226 -1.614) 3.126 5.569 ( 5.876 1.082 -3.221) 6.787 5.718 ( 0.616 -3.667 0.227) 3.726 5.796 ( 1.571 0.023 0.612) 1.686 5.986 ( 0.173 0.593 -0.073) 0.622 6.248 ( -2.796 -0.807 -2.014) 3.539 6.399 ( -4.443 7.479 -0.898) 8.746 6.859 ( -1.519 -2.590 -3.698) 4.764 7.070 ( -0.596 -12.109 -6.010) 13.532 ======================= Grid point 278 (138/160) ======================= q-point: (-0.22 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -1.341 4.391 4.384) 6.348 1.483 ( 3.678 6.005 12.240) 14.121 1.662 ( -3.166 6.047 -2.163) 7.161 1.778 ( -0.985 3.708 -3.946) 5.504 2.105 ( -0.704 0.880 2.366) 2.620 2.371 ( -0.611 -2.176 -2.373) 3.277 2.519 ( -1.751 -7.826 0.962) 8.077 2.633 ( 2.720 -2.379 1.664) 3.979 2.874 ( -0.128 -0.247 3.511) 3.522 2.952 ( 2.730 -5.017 -3.182) 6.538 3.057 ( -4.996 5.288 2.307) 7.632 3.110 ( 7.801 2.524 -3.244) 8.818 3.190 ( -2.800 4.056 0.426) 4.947 3.546 ( 1.203 -0.671 -2.802) 3.123 3.704 ( 3.032 -7.478 0.389) 8.078 3.904 ( 1.345 -2.222 1.332) 2.919 4.195 ( -2.894 -1.505 -2.772) 4.281 4.351 ( 2.432 1.970 1.296) 3.387 4.429 ( -0.762 0.322 1.467) 1.684 4.476 ( -2.298 1.492 -0.904) 2.885 4.638 ( 2.885 4.038 2.225) 5.439 4.786 ( 1.721 0.806 1.969) 2.736 4.883 ( 1.552 6.406 1.568) 6.776 4.957 ( -1.163 -0.678 -2.523) 2.860 5.111 ( 1.095 4.076 2.223) 4.770 5.188 ( 1.253 6.909 -4.619) 8.405 5.306 ( -1.929 -4.863 0.302) 5.241 5.328 ( -1.298 4.013 -1.416) 4.449 5.595 ( -0.558 3.999 -2.595) 4.800 5.768 ( -0.925 0.765 2.508) 2.780 5.780 ( -0.585 -5.710 0.384) 5.753 5.997 ( 2.786 1.467 -1.688) 3.573 6.148 ( -2.918 1.889 -1.712) 3.874 6.314 ( 2.293 8.386 -1.252) 8.784 6.842 ( -1.925 -4.308 -0.889) 4.801 7.206 ( -1.718 -18.773 0.091) 18.852 ======================= Grid point 279 (139/160) ======================= q-point: (-0.11 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 3.100 2.032 2.337) 4.382 1.553 ( 9.837 12.508 -3.423) 16.277 1.606 ( -3.030 -3.484 7.060) 8.435 1.740 ( 0.419 1.353 0.761) 1.608 2.070 ( -4.187 -1.220 1.422) 4.587 2.334 ( -3.795 -2.458 -1.132) 4.661 2.566 ( -3.607 -7.979 0.856) 8.798 2.644 ( 0.101 4.862 -2.564) 5.498 2.900 ( -2.702 0.217 3.565) 4.478 2.920 ( -2.933 5.058 2.336) 6.296 3.040 ( 1.837 -2.932 -0.013) 3.460 3.121 ( 4.954 5.079 -1.049) 7.173 3.217 ( 6.889 -0.108 -5.951) 9.104 3.442 ( -6.520 1.690 -3.082) 7.407 3.857 ( 5.533 -4.270 -2.943) 7.583 3.941 ( -1.246 -6.584 -0.566) 6.725 4.209 ( -0.953 -4.785 1.903) 5.237 4.334 ( -1.907 1.010 -3.148) 3.816 4.419 ( 0.140 1.387 1.599) 2.121 4.491 ( 3.597 1.102 0.787) 3.843 4.663 ( 3.508 1.201 -1.591) 4.035 4.770 ( -0.373 4.137 -2.120) 4.664 4.843 ( -0.305 5.170 0.080) 5.180 4.914 ( -1.860 3.568 -1.339) 4.241 5.065 ( 1.886 9.787 -1.578) 10.091 5.118 ( 0.782 2.072 -1.296) 2.566 5.281 ( 1.670 2.784 3.807) 5.003 5.365 ( 0.035 -1.712 -0.130) 1.717 5.532 ( -3.218 -3.502 2.164) 5.225 5.731 ( -2.324 0.440 1.437) 2.767 5.828 ( -1.699 -3.097 -0.259) 3.542 6.017 ( 4.516 3.917 -3.979) 7.181 6.185 ( 7.055 -0.789 3.088) 7.742 6.300 ( 7.336 6.723 -2.463) 10.251 6.856 ( -2.751 -4.349 1.992) 5.517 7.291 ( -9.062 -15.446 1.211) 17.949 ======================= Grid point 283 (140/160) ======================= q-point: (-0.67 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 10.968 0.000 5.076) 12.085 1.695 ( 4.377 0.000 -3.459) 5.579 1.846 ( -0.478 -0.000 -1.510) 1.584 1.873 ( 0.766 0.000 -9.092) 9.125 1.884 ( -7.893 -0.000 -2.909) 8.412 2.008 ( 5.873 0.000 -13.242) 14.486 2.449 ( -2.167 -0.000 -1.884) 2.871 2.451 ( 4.288 0.000 5.740) 7.164 2.806 ( -2.342 -0.000 4.435) 5.016 2.843 ( -1.027 -0.000 0.174) 1.042 3.009 ( 7.781 0.000 8.464) 11.497 3.179 ( -1.481 -0.000 3.249) 3.571 3.414 ( -9.720 -0.000 2.557) 10.050 3.673 ( -5.737 -0.000 3.524) 6.733 3.775 ( -6.832 -0.000 -1.662) 7.031 3.808 ( 2.906 0.000 6.448) 7.072 4.082 ( -1.431 -0.000 0.040) 1.431 4.249 ( 2.363 0.000 3.412) 4.150 4.550 ( 0.204 0.000 2.083) 2.093 4.563 ( 2.023 0.000 1.797) 2.706 4.620 ( 0.391 0.000 4.251) 4.269 4.623 ( 3.953 0.000 0.446) 3.978 4.907 ( 2.405 0.000 3.325) 4.104 5.008 ( -0.029 -0.000 -1.065) 1.066 5.079 ( 2.994 0.000 2.322) 3.789 5.239 ( 1.830 0.000 -1.006) 2.089 5.314 ( -9.277 -0.000 -2.933) 9.730 5.407 ( 1.599 0.000 4.182) 4.477 5.551 ( 1.838 0.000 -3.053) 3.564 5.626 ( -0.838 -0.000 -3.658) 3.753 5.674 ( 2.765 0.000 -6.033) 6.636 5.698 ( -4.139 -0.000 3.575) 5.469 6.281 ( -3.523 -0.000 0.803) 3.613 6.611 ( 1.457 0.000 -6.418) 6.581 7.010 ( 0.053 0.000 -5.658) 5.658 7.164 ( 0.592 0.000 -6.854) 6.879 ======================= Grid point 285 (141/160) ======================= q-point: (-0.56 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -6.986 5.291 -3.293) 9.361 1.749 ( -3.006 6.732 0.237) 7.376 1.815 ( 1.779 -1.603 -4.310) 4.930 1.848 ( 7.697 -2.073 3.766) 8.816 1.925 ( 5.345 -2.762 2.716) 6.601 2.151 ( 14.704 -2.258 -10.727) 18.340 2.393 ( -1.576 2.590 -5.342) 6.143 2.499 ( -3.302 -7.205 4.401) 9.065 2.736 ( -7.167 2.505 3.409) 8.322 2.903 ( 8.200 0.821 0.273) 8.246 3.087 ( -5.809 1.317 4.910) 7.719 3.149 ( -0.617 1.564 0.111) 1.685 3.319 ( -2.409 2.086 7.911) 8.528 3.548 ( -9.719 1.079 3.781) 10.485 3.656 ( -7.059 -2.944 -3.392) 8.367 3.892 ( 3.845 3.117 5.786) 7.614 4.136 ( 3.652 -3.495 4.251) 6.605 4.323 ( 4.051 -0.112 3.912) 5.633 4.545 ( -0.679 1.581 1.425) 2.235 4.579 ( -0.495 0.122 3.202) 3.242 4.642 ( 0.587 2.339 3.006) 3.853 4.704 ( -0.861 -2.396 2.756) 3.752 4.891 ( -0.948 -2.238 0.003) 2.430 5.036 ( 3.014 5.452 3.830) 7.312 5.131 ( -0.454 -1.074 -1.834) 2.173 5.182 ( -1.849 -1.733 -1.783) 3.098 5.282 ( 2.352 0.592 -1.879) 3.068 5.432 ( 0.875 2.490 0.282) 2.654 5.538 ( 0.726 -1.997 -4.113) 4.629 5.611 ( -0.562 -2.891 -2.900) 4.133 5.706 ( 7.182 2.690 0.438) 7.682 5.805 ( 6.766 -7.621 -0.170) 10.192 6.234 ( -3.154 -0.559 0.795) 3.300 6.590 ( 0.583 1.982 -3.604) 4.154 6.911 ( -6.972 0.867 -6.656) 9.678 7.086 ( -4.065 -0.402 -10.623) 11.381 ======================= Grid point 286 (142/160) ======================= q-point: (-0.44 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -3.783 5.335 -1.260) 6.661 1.612 ( -4.036 7.523 2.500) 8.896 1.806 ( -1.141 -2.476 -2.808) 3.913 2.034 ( 3.681 2.726 3.898) 6.014 2.054 ( 7.113 1.833 3.176) 8.003 2.215 ( 2.612 0.110 -2.529) 3.637 2.416 ( 5.459 -0.339 -4.638) 7.171 2.572 ( -3.569 -5.691 -0.838) 6.769 2.621 ( 0.223 -6.496 -0.060) 6.501 2.899 ( -12.805 -2.189 4.021) 13.599 3.052 ( 7.082 2.781 1.269) 7.714 3.221 ( 6.797 -4.750 0.008) 8.293 3.302 ( 0.547 7.800 4.431) 8.987 3.401 ( -8.311 1.986 2.375) 8.869 3.591 ( -5.243 -6.380 -0.662) 8.284 3.935 ( 3.573 5.564 3.778) 7.616 4.250 ( 4.061 -1.344 1.541) 4.547 4.390 ( 2.028 3.121 3.471) 5.090 4.488 ( -4.688 1.935 -0.349) 5.083 4.592 ( -2.023 1.023 4.359) 4.913 4.615 ( 0.560 -0.010 -0.817) 0.991 4.722 ( 0.562 -0.161 6.223) 6.250 4.958 ( 2.068 -6.155 1.088) 6.584 5.038 ( 1.417 6.000 0.201) 6.168 5.085 ( 0.356 3.874 -1.606) 4.209 5.189 ( 0.399 -0.464 -0.581) 0.844 5.262 ( -2.776 -1.816 -1.935) 3.841 5.443 ( 0.569 0.253 -0.977) 1.158 5.592 ( 5.911 0.129 -1.977) 6.234 5.630 ( 1.627 -3.915 -1.264) 4.424 5.800 ( 3.934 0.521 2.319) 4.596 5.984 ( 6.837 -1.267 -0.552) 6.975 6.206 ( -1.317 -2.890 -1.328) 3.442 6.529 ( -2.923 5.991 -1.825) 6.912 6.774 ( -5.103 -5.764 -4.263) 8.800 6.938 ( -7.659 -2.371 -11.107) 13.698 ======================= Grid point 287 (143/160) ======================= q-point: (-0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -1.733 4.937 0.899) 5.309 1.545 ( -0.299 4.084 5.918) 7.197 1.788 ( -1.216 0.706 0.362) 1.452 1.918 ( 0.355 13.497 -5.048) 14.415 2.159 ( 1.235 3.550 5.834) 6.940 2.299 ( 0.625 -5.064 -2.783) 5.812 2.402 ( -5.598 -3.493 2.946) 7.226 2.548 ( 1.294 -6.108 1.823) 6.504 2.780 ( -6.747 -10.115 -0.924) 12.194 2.847 ( 11.468 -4.222 -4.188) 12.918 3.144 ( 6.542 3.060 1.455) 7.367 3.161 ( -6.999 4.464 -0.149) 8.303 3.305 ( -0.685 5.581 1.256) 5.761 3.452 ( 5.543 -6.927 0.026) 8.872 3.578 ( -1.066 -6.589 0.368) 6.685 3.951 ( 3.012 5.606 1.296) 6.494 4.242 ( -2.245 5.883 -3.059) 7.001 4.394 ( 2.086 2.401 3.195) 4.508 4.425 ( -1.578 0.388 0.927) 1.871 4.531 ( -1.754 3.552 -0.854) 4.053 4.664 ( 2.166 -0.917 1.303) 2.689 4.784 ( 1.943 -0.600 4.753) 5.170 4.960 ( -2.383 2.571 -2.933) 4.571 5.015 ( 1.597 4.044 0.386) 4.365 5.129 ( 3.199 -2.416 3.360) 5.230 5.196 ( 1.017 -0.876 -1.531) 2.037 5.222 ( -3.319 -2.724 -1.603) 4.583 5.417 ( -0.957 2.845 -1.057) 3.182 5.650 ( -0.140 -6.314 -0.784) 6.364 5.710 ( 3.535 3.962 0.140) 5.312 5.803 ( -3.548 2.644 1.667) 4.728 6.009 ( 2.621 2.214 -3.282) 4.748 6.195 ( -1.152 1.706 -2.931) 3.581 6.448 ( 2.198 5.241 0.169) 5.685 6.782 ( -2.998 -1.859 -4.111) 5.417 6.852 ( -3.771 -17.766 -0.735) 18.177 ======================= Grid point 288 (144/160) ======================= q-point: (-0.22 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 1.982 3.598 3.157) 5.181 1.552 ( -1.376 0.391 3.849) 4.106 1.775 ( 2.881 4.758 2.580) 6.132 1.820 ( 4.961 10.474 -3.232) 12.032 2.081 ( -6.500 2.518 0.820) 7.018 2.283 ( -5.259 -3.495 -1.047) 6.401 2.403 ( -4.581 -8.288 2.497) 9.793 2.671 ( 4.070 -2.457 -2.213) 5.243 2.796 ( 0.050 -9.155 -0.090) 9.155 2.984 ( -6.252 1.354 1.576) 6.588 3.027 ( 4.460 1.311 -2.363) 5.214 3.233 ( 5.741 1.410 -0.538) 5.936 3.260 ( 3.063 8.663 -0.469) 9.201 3.428 ( -5.426 -3.038 -5.242) 8.133 3.752 ( 7.692 -7.890 -0.917) 11.057 3.921 ( -0.675 4.152 -3.262) 5.323 4.166 ( -0.359 2.008 3.305) 3.884 4.381 ( -0.653 3.850 -2.392) 4.579 4.430 ( -0.358 -0.381 1.635) 1.716 4.518 ( 4.118 2.361 2.019) 5.158 4.688 ( 0.147 0.712 -1.370) 1.551 4.818 ( 0.949 0.836 -0.903) 1.554 4.903 ( -2.550 0.752 2.148) 3.418 4.969 ( 0.188 6.602 -2.823) 7.183 5.150 ( -1.234 -0.341 -1.874) 2.270 5.175 ( -1.486 -0.511 -1.047) 1.888 5.296 ( 3.943 -3.481 1.373) 5.436 5.373 ( 0.764 4.021 1.482) 4.353 5.538 ( -10.275 4.145 -1.391) 11.166 5.719 ( -0.063 -5.006 -0.199) 5.010 5.781 ( -0.951 1.379 1.990) 2.601 6.031 ( 3.187 -0.991 -4.273) 5.422 6.199 ( 4.919 1.218 1.784) 5.372 6.442 ( 5.449 7.612 -3.855) 10.124 6.772 ( -1.158 -4.237 3.230) 5.452 6.975 ( -5.188 -16.940 3.389) 18.038 ======================= Grid point 289 (145/160) ======================= q-point: (-0.11 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 3.598 3.679 -2.884) 5.899 1.536 ( -1.157 -0.267 1.288) 1.752 1.807 ( 2.497 3.180 1.261) 4.235 1.852 ( 9.434 8.962 2.071) 13.176 1.978 ( -4.040 -0.838 -1.699) 4.462 2.216 ( -6.802 -6.019 0.643) 9.106 2.400 ( -6.447 -9.457 -0.064) 11.446 2.655 ( -0.385 5.001 -5.640) 7.548 2.831 ( -8.074 0.801 -1.439) 8.240 2.889 ( -0.195 -2.361 3.620) 4.326 3.045 ( -2.750 2.995 0.693) 4.125 3.212 ( 0.071 -1.588 -0.275) 1.614 3.357 ( 8.763 3.214 -5.406) 10.786 3.384 ( 6.267 1.780 -2.577) 7.006 3.856 ( -2.338 -0.807 -2.209) 3.316 3.905 ( 4.750 -4.826 -2.793) 7.325 4.181 ( -2.037 -0.119 3.434) 3.994 4.317 ( -0.541 3.779 -1.755) 4.202 4.415 ( -2.053 0.552 1.027) 2.361 4.560 ( 1.119 2.862 -1.872) 3.598 4.669 ( -0.198 -0.303 0.089) 0.373 4.798 ( -0.170 3.046 -2.603) 4.010 4.870 ( -0.682 3.955 0.278) 4.023 4.909 ( 0.906 1.148 -1.297) 1.955 5.107 ( -2.070 0.973 -2.662) 3.510 5.163 ( 1.372 3.269 2.195) 4.170 5.298 ( -3.295 -1.185 0.199) 3.507 5.405 ( 2.535 2.422 4.760) 5.912 5.478 ( 0.961 -5.689 2.306) 6.213 5.726 ( -0.724 0.291 -0.266) 0.824 5.769 ( -1.911 -2.040 -0.679) 2.877 6.072 ( 4.337 0.456 -5.587) 7.087 6.313 ( 5.334 -3.539 1.847) 6.662 6.481 ( 10.064 4.736 -3.421) 11.638 6.823 ( 0.622 -1.149 5.625) 5.775 6.990 ( -12.307 -11.575 4.203) 17.410 ======================= Grid point 294 (146/160) ======================= q-point: (-0.56 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -4.406 -0.000 -2.395) 5.015 1.733 ( -4.002 -0.000 1.325) 4.216 1.740 ( -1.919 -0.000 -4.306) 4.714 2.040 ( 6.214 0.000 4.475) 7.657 2.043 ( 9.586 0.000 7.609) 12.239 2.343 ( 3.188 0.000 -1.014) 3.345 2.382 ( 0.018 0.000 -2.781) 2.781 2.418 ( 10.575 0.000 -8.980) 13.874 2.600 ( -10.663 -0.000 -0.148) 10.664 2.878 ( -15.442 -0.000 4.685) 16.137 3.087 ( 8.587 0.000 2.484) 8.940 3.168 ( 3.199 0.000 -1.580) 3.568 3.404 ( -0.469 -0.000 5.189) 5.210 3.419 ( -6.513 -0.000 3.988) 7.637 3.505 ( -6.368 -0.000 -3.690) 7.360 4.006 ( 3.700 0.000 4.080) 5.508 4.224 ( 5.517 0.000 5.823) 8.022 4.424 ( 5.264 0.000 3.277) 6.201 4.515 ( -4.597 -0.000 2.658) 5.310 4.585 ( -1.554 -0.000 3.360) 3.702 4.615 ( -3.140 -0.000 -0.631) 3.203 4.746 ( 2.449 0.000 8.258) 8.613 4.863 ( 0.599 0.000 -2.169) 2.250 5.098 ( -0.699 -0.000 -3.757) 3.821 5.145 ( 1.620 0.000 3.026) 3.432 5.174 ( 2.204 0.000 -3.371) 4.027 5.259 ( -3.371 -0.000 -0.252) 3.381 5.433 ( -0.998 -0.000 -1.923) 2.167 5.568 ( -0.802 -0.000 -3.522) 3.612 5.614 ( 10.084 0.000 0.720) 10.110 5.813 ( 2.744 0.000 1.848) 3.308 5.955 ( 15.261 0.000 0.893) 15.287 6.177 ( -3.782 -0.000 -1.345) 4.014 6.597 ( 0.956 0.000 -1.843) 2.077 6.707 ( -13.451 -0.000 -6.720) 15.036 6.923 ( -7.147 -0.000 -11.258) 13.335 ======================= Grid point 296 (147/160) ======================= q-point: (-0.44 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -0.710 3.208 -0.882) 3.402 1.644 ( -1.296 5.894 2.175) 6.415 1.745 ( -1.261 -4.440 -0.052) 4.615 2.140 ( 2.330 4.348 1.538) 5.167 2.167 ( 3.039 1.876 0.891) 3.681 2.283 ( 0.186 2.868 1.589) 3.284 2.386 ( -3.106 1.748 3.463) 4.970 2.441 ( -5.698 -3.490 -1.322) 6.811 2.564 ( -6.616 -11.823 -0.789) 13.572 2.795 ( 11.972 -1.268 -5.060) 13.059 3.193 ( 3.588 2.405 -1.003) 4.434 3.237 ( -3.301 2.255 3.584) 5.369 3.302 ( 0.427 -3.347 -0.844) 3.478 3.419 ( 2.697 1.710 2.725) 4.198 3.469 ( -1.435 -4.095 -2.042) 4.795 4.049 ( 2.464 3.546 0.482) 4.345 4.336 ( 4.172 1.870 2.994) 5.465 4.418 ( -5.359 1.675 0.031) 5.615 4.492 ( 2.814 5.252 3.326) 6.824 4.568 ( -1.450 -0.727 2.632) 3.091 4.633 ( 2.578 -1.496 -1.271) 3.241 4.796 ( 1.576 3.072 5.105) 6.163 4.923 ( 1.561 -8.463 0.970) 8.660 5.033 ( -2.082 4.251 -4.176) 6.312 5.124 ( -1.780 -2.734 -3.193) 4.565 5.193 ( 1.004 2.622 0.635) 2.879 5.235 ( -0.193 1.483 2.425) 2.849 5.417 ( -0.756 -1.683 -1.841) 2.607 5.550 ( -0.969 -3.141 -1.853) 3.773 5.749 ( 3.124 0.665 1.572) 3.560 5.849 ( -0.916 1.918 2.474) 3.261 6.083 ( 1.548 4.040 -3.866) 5.802 6.193 ( 4.411 -1.594 -2.060) 5.123 6.473 ( -6.461 -2.637 0.155) 6.980 6.627 ( -0.116 -4.238 -0.543) 4.274 6.771 ( -4.004 0.066 -7.425) 8.436 ======================= Grid point 297 (148/160) ======================= q-point: (-0.33 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 1.784 4.966 2.170) 5.706 1.615 ( 1.065 4.865 2.600) 5.618 1.770 ( -0.077 -2.779 0.696) 2.866 2.053 ( 0.130 11.936 -1.439) 12.023 2.137 ( -9.408 2.344 2.069) 9.914 2.188 ( -4.130 -5.366 -4.033) 7.881 2.305 ( -8.571 -2.259 4.295) 9.849 2.557 ( 6.060 -9.657 1.960) 11.568 2.629 ( 4.400 -6.738 -0.221) 8.050 2.996 ( 8.494 0.733 -4.272) 9.536 3.076 ( -4.538 3.190 -1.301) 5.698 3.227 ( -0.811 -2.802 -0.591) 2.977 3.382 ( 5.633 1.236 1.187) 5.888 3.409 ( -0.239 5.026 -3.276) 6.004 3.594 ( 7.677 -8.149 0.209) 11.198 4.022 ( -0.206 5.186 -3.885) 6.483 4.260 ( -3.224 6.050 -0.518) 6.875 4.414 ( -0.731 -0.731 1.893) 2.156 4.487 ( 2.422 6.971 0.185) 7.382 4.565 ( 2.269 1.986 1.535) 3.384 4.681 ( 2.200 -1.030 -2.125) 3.228 4.818 ( 0.547 -0.040 0.002) 0.548 4.949 ( -1.720 4.297 1.649) 4.913 5.008 ( -0.567 -6.466 -1.855) 6.751 5.126 ( -1.218 0.245 -1.954) 2.315 5.169 ( 0.282 0.523 0.501) 0.777 5.243 ( 2.086 0.387 1.668) 2.699 5.412 ( -0.798 -0.438 0.654) 1.121 5.574 ( -2.950 -3.831 -0.333) 4.846 5.638 ( -9.968 0.546 -2.621) 10.321 5.808 ( -1.723 0.585 1.741) 2.518 6.032 ( -4.600 0.620 -5.716) 7.363 6.192 ( 3.062 -1.786 -0.410) 3.569 6.549 ( 6.280 2.774 -0.229) 6.869 6.685 ( 0.363 -5.722 3.636) 6.789 6.755 ( 1.836 -4.089 3.108) 5.455 ======================= Grid point 298 (149/160) ======================= q-point: (-0.22 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 4.722 4.946 2.220) 7.190 1.580 ( -0.703 5.312 3.279) 6.283 1.810 ( 1.602 -2.761 0.594) 3.247 1.925 ( -7.796 1.101 -1.351) 7.988 2.040 ( 2.550 2.906 -3.030) 4.912 2.112 ( -11.326 -5.364 0.982) 12.570 2.252 ( -1.610 -3.365 0.939) 3.847 2.720 ( 3.757 -1.656 -1.351) 4.322 2.762 ( 4.762 -5.362 -1.276) 7.284 2.885 ( -8.859 2.145 0.630) 9.137 3.103 ( 2.635 3.579 -1.646) 4.740 3.181 ( -5.669 -0.812 -3.568) 6.747 3.409 ( 10.485 2.745 -6.924) 12.861 3.459 ( 5.068 4.976 4.483) 8.399 3.774 ( 5.713 -7.221 -2.221) 9.471 3.912 ( -2.571 4.943 -5.220) 7.635 4.197 ( -1.751 1.575 2.103) 3.157 4.371 ( -3.629 0.181 -1.705) 4.014 4.465 ( 1.315 5.900 1.678) 6.273 4.620 ( 3.059 2.967 -0.428) 4.283 4.666 ( -0.550 0.285 -2.499) 2.575 4.817 ( -0.158 -0.587 -3.643) 3.693 4.915 ( -0.231 3.330 4.895) 5.924 5.002 ( -0.770 4.433 -3.536) 5.723 5.063 ( -1.993 -2.878 -2.766) 4.462 5.200 ( 2.673 0.601 2.094) 3.448 5.298 ( -2.947 -1.408 -1.533) 3.608 5.385 ( -2.206 -1.713 1.057) 2.986 5.440 ( -1.236 0.702 4.373) 4.598 5.665 ( 0.155 -6.110 0.516) 6.134 5.750 ( -4.062 -0.405 -2.162) 4.619 6.003 ( 0.071 -8.335 -4.428) 9.439 6.259 ( 2.306 -1.474 0.736) 2.834 6.580 ( 5.967 5.050 -6.307) 10.045 6.773 ( 1.217 -3.651 6.699) 7.726 6.856 ( -0.676 -2.459 10.852) 11.148 ======================= Grid point 299 (150/160) ======================= q-point: (-0.11 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.479 5.736 -3.130) 6.552 1.590 ( 3.352 4.434 3.813) 6.741 1.790 ( -7.742 -3.397 -3.378) 9.105 1.859 ( 0.701 -0.763 -1.418) 1.756 1.989 ( -9.597 -9.323 -1.546) 13.469 2.111 ( 7.374 0.289 0.246) 7.383 2.306 ( 3.601 -1.280 3.833) 5.413 2.670 ( -2.772 7.701 -3.662) 8.967 2.723 ( -5.506 2.577 -3.262) 6.899 2.813 ( -6.028 -6.423 -4.487) 9.886 3.005 ( -2.557 4.390 0.149) 5.083 3.206 ( 3.315 -2.009 0.337) 3.891 3.514 ( 5.111 5.080 5.413) 9.012 3.527 ( 7.830 0.769 -5.213) 9.438 3.815 ( -1.873 0.860 -0.316) 2.084 3.907 ( 3.702 -4.009 -3.276) 6.365 4.158 ( -2.667 0.927 1.193) 3.065 4.286 ( -4.537 0.678 -2.449) 5.200 4.433 ( -0.850 3.753 0.843) 3.940 4.564 ( -0.683 2.093 -2.287) 3.175 4.668 ( -1.336 2.451 -1.027) 2.974 4.770 ( -2.918 -0.524 -1.752) 3.444 4.923 ( 0.023 5.444 -4.150) 6.846 4.958 ( 5.086 0.663 3.077) 5.981 5.037 ( -3.370 -0.290 0.128) 3.385 5.221 ( -1.890 -1.378 0.818) 2.478 5.268 ( 4.510 2.189 3.533) 6.133 5.460 ( 1.146 -4.445 2.840) 5.398 5.488 ( 3.523 -0.509 2.407) 4.297 5.676 ( -2.929 -2.738 -2.660) 4.812 5.716 ( -1.040 -2.503 -1.691) 3.195 6.096 ( 5.331 -7.531 -6.374) 11.214 6.300 ( -1.576 -4.192 2.396) 5.079 6.587 ( 1.726 0.307 -8.076) 8.264 6.831 ( -2.371 -0.180 8.786) 9.102 6.909 ( 2.683 1.891 8.862) 9.451 ======================= Grid point 305 (151/160) ======================= q-point: ( 0.56 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 2.625 0.000 0.149) 2.629 1.675 ( -1.304 -0.000 1.792) 2.216 1.723 ( 2.229 0.000 2.285) 3.192 2.119 ( -5.068 -0.000 -2.384) 5.601 2.167 ( -9.409 -0.000 -0.591) 9.428 2.194 ( -15.437 -0.000 2.179) 15.590 2.345 ( -1.587 -0.000 0.310) 1.617 2.369 ( 5.254 0.000 2.122) 5.666 2.570 ( 11.613 0.000 2.476) 11.874 3.006 ( 12.701 0.000 -5.654) 13.903 3.124 ( -7.667 -0.000 -0.991) 7.731 3.174 ( -2.033 -0.000 -2.127) 2.943 3.410 ( 7.602 0.000 4.173) 8.672 3.468 ( 1.345 0.000 -0.584) 1.466 3.493 ( 8.084 0.000 -2.473) 8.454 4.075 ( -0.149 -0.000 -3.136) 3.140 4.327 ( -4.998 -0.000 -3.410) 6.050 4.406 ( -0.702 -0.000 3.016) 3.097 4.564 ( 0.183 0.000 3.105) 3.111 4.593 ( 4.345 0.000 -2.155) 4.850 4.672 ( 4.097 0.000 -1.740) 4.451 4.861 ( 0.574 0.000 -2.534) 2.598 4.866 ( -0.849 -0.000 0.410) 0.943 5.041 ( 1.399 0.000 -0.894) 1.660 5.057 ( -2.081 -0.000 3.742) 4.282 5.208 ( -0.370 -0.000 -1.729) 1.768 5.265 ( 0.893 0.000 1.729) 1.946 5.393 ( -0.411 -0.000 0.639) 0.760 5.516 ( -0.604 -0.000 0.557) 0.822 5.658 ( -13.345 -0.000 -4.003) 13.932 5.814 ( -2.856 -0.000 1.841) 3.398 6.028 ( -15.423 -0.000 -6.072) 16.576 6.172 ( 7.045 0.000 -1.397) 7.182 6.548 ( 10.002 0.000 8.329) 13.016 6.649 ( 2.738 0.000 -2.027) 3.407 6.732 ( 1.844 0.000 1.793) 2.572 ======================= Grid point 307 (152/160) ======================= q-point: (-0.33 0.56 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 5.146 3.711 3.327) 7.164 1.681 ( 0.494 1.458 3.411) 3.742 1.761 ( 0.077 0.963 1.109) 1.471 1.925 ( -13.500 -1.361 3.514) 14.016 2.013 ( -7.678 -4.089 -2.065) 8.941 2.025 ( -9.605 -1.415 -7.259) 12.122 2.315 ( 3.655 6.618 2.333) 7.912 2.549 ( 6.105 -9.589 0.011) 11.367 2.761 ( 8.840 0.430 1.637) 9.000 2.916 ( -9.983 0.750 -1.412) 10.110 3.151 ( 3.129 1.950 -1.374) 3.935 3.193 ( 3.323 0.409 -2.846) 4.394 3.467 ( 4.069 2.891 -5.672) 7.556 3.530 ( 6.119 2.541 4.685) 8.114 3.654 ( 8.766 -4.892 -2.315) 10.302 4.007 ( -3.523 3.723 -4.968) 7.138 4.223 ( -3.885 0.883 -3.704) 5.440 4.361 ( -5.109 -0.411 0.104) 5.126 4.573 ( 0.679 3.546 -0.400) 3.633 4.630 ( 3.379 -0.073 -1.379) 3.650 4.709 ( 1.400 2.779 -3.737) 4.862 4.807 ( -0.678 0.471 -4.325) 4.403 4.908 ( 0.149 -6.472 -2.339) 6.883 5.016 ( 0.300 6.262 5.101) 8.083 5.135 ( 3.290 -2.282 0.670) 4.060 5.158 ( -1.895 0.784 -2.245) 3.041 5.278 ( -0.682 0.665 -0.457) 1.057 5.403 ( -2.049 1.280 1.947) 3.102 5.436 ( -5.490 -0.395 3.418) 6.480 5.550 ( 0.714 -4.858 2.083) 5.334 5.748 ( -7.779 0.747 -3.223) 8.454 5.826 ( -6.362 -7.982 -1.857) 10.375 6.252 ( 3.629 0.097 -1.031) 3.774 6.646 ( 2.703 1.827 -7.926) 8.572 6.737 ( 5.369 -0.517 9.421) 10.856 6.838 ( 4.061 -0.205 11.670) 12.358 ======================= Grid point 308 (153/160) ======================= q-point: (-0.22 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -2.384 7.175 1.029) 7.631 1.672 ( 3.096 4.302 7.332) 9.047 1.756 ( -9.267 0.082 -6.583) 11.368 1.786 ( -0.274 -5.416 0.426) 5.440 1.879 ( -7.388 -4.151 2.368) 8.799 1.999 ( 0.846 -8.166 -2.139) 8.484 2.361 ( 5.736 4.221 3.182) 7.800 2.649 ( -5.380 -6.777 -5.337) 10.167 2.774 ( -1.996 3.544 0.975) 4.183 2.842 ( 3.138 3.616 -3.732) 6.071 3.097 ( -5.214 6.067 -4.319) 9.091 3.192 ( 3.974 1.191 0.533) 4.183 3.532 ( 6.477 -0.872 -4.659) 8.026 3.604 ( 3.023 4.100 6.193) 8.019 3.806 ( 5.320 -2.468 -2.349) 6.318 3.879 ( -2.616 1.988 -3.352) 4.693 4.155 ( -3.106 -1.213 -1.606) 3.701 4.287 ( -4.364 -0.404 -0.180) 4.386 4.522 ( -1.053 5.042 -1.770) 5.446 4.617 ( -2.904 3.903 -5.270) 7.172 4.680 ( 0.766 -2.317 0.270) 2.455 4.754 ( -3.799 -0.219 -5.431) 6.632 4.945 ( -0.097 -1.814 -2.981) 3.491 4.981 ( -1.211 1.295 0.275) 1.794 5.108 ( 4.672 6.558 3.580) 8.812 5.199 ( -3.863 -0.508 -1.603) 4.213 5.291 ( 6.371 -2.836 1.479) 7.129 5.395 ( 2.690 1.453 1.593) 3.447 5.482 ( 2.417 -0.636 6.351) 6.825 5.609 ( -3.582 -4.331 -1.413) 5.795 5.647 ( -0.662 -4.391 -1.440) 4.668 5.872 ( 1.102 -12.241 -2.166) 12.480 6.284 ( 0.745 0.296 0.580) 0.989 6.617 ( 1.560 2.202 -8.440) 8.861 6.837 ( 0.644 0.466 9.213) 9.247 6.944 ( 1.729 1.522 11.448) 11.678 ======================= Grid point 309 (154/160) ======================= q-point: (-0.11 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -5.863 3.060 0.978) 6.685 1.583 ( -9.058 -5.299 -4.097) 11.265 1.724 ( 3.589 5.592 2.766) 7.198 1.833 ( -0.758 -2.239 0.256) 2.378 1.849 ( 0.719 -0.912 -0.298) 1.199 2.169 ( 8.567 -8.804 -0.090) 12.285 2.445 ( 4.445 1.312 4.646) 6.562 2.515 ( -10.689 -5.793 -4.160) 12.850 2.712 ( -0.458 9.190 -5.261) 10.600 2.748 ( 0.981 8.877 -5.486) 10.481 3.003 ( -1.883 0.120 -0.645) 1.995 3.250 ( 1.821 -0.098 1.057) 2.108 3.554 ( -2.869 1.282 0.034) 3.143 3.637 ( 1.425 1.710 5.920) 6.325 3.783 ( -3.299 -1.405 -0.551) 3.628 3.925 ( 2.573 -1.231 -1.138) 3.071 4.142 ( 1.107 -0.994 -0.179) 1.498 4.223 ( -2.195 0.745 -0.980) 2.517 4.429 ( -2.910 4.272 -0.478) 5.191 4.533 ( -2.407 1.237 -5.147) 5.815 4.662 ( -2.058 0.853 -0.562) 2.298 4.708 ( -0.822 -2.569 0.373) 2.723 4.905 ( -1.977 -1.018 -6.176) 6.564 4.970 ( 1.278 2.270 -0.878) 2.749 5.145 ( 2.695 4.781 2.802) 6.162 5.219 ( 4.675 -1.471 2.257) 5.396 5.362 ( 1.233 0.541 -0.208) 1.362 5.450 ( 1.811 -1.459 -0.489) 2.377 5.537 ( -0.567 -1.092 2.615) 2.890 5.600 ( 1.047 -3.429 -1.618) 3.934 5.686 ( 0.320 -1.342 -0.429) 1.445 6.068 ( 10.175 -11.685 -2.616) 15.714 6.264 ( -3.954 1.838 3.365) 5.508 6.555 ( -1.718 3.578 -4.666) 6.125 6.868 ( -0.098 -0.846 4.154) 4.240 7.002 ( 0.659 0.806 7.154) 7.229 ======================= Grid point 316 (155/160) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -0.406 -0.000 3.821) 3.843 1.716 ( 0.792 0.000 5.436) 5.494 1.746 ( -8.902 -0.000 -1.169) 8.979 1.782 ( -0.356 -0.000 2.112) 2.142 1.793 ( -10.150 -0.000 -1.143) 10.215 1.908 ( 0.975 0.000 -3.345) 3.485 2.409 ( 3.188 0.000 1.804) 3.663 2.575 ( -1.075 -0.000 -5.255) 5.364 2.810 ( 0.786 0.000 2.411) 2.536 2.861 ( 2.788 0.000 -0.271) 2.801 3.166 ( -5.595 -0.000 -5.267) 7.684 3.229 ( 4.501 0.000 -0.550) 4.534 3.512 ( 4.284 0.000 -5.244) 6.771 3.648 ( 2.889 0.000 5.197) 5.946 3.771 ( 9.219 0.000 -2.073) 9.449 3.915 ( -7.456 -0.000 -3.386) 8.189 4.134 ( -2.729 -0.000 -4.524) 5.284 4.282 ( -3.976 -0.000 0.479) 4.005 4.600 ( 0.190 0.000 -0.488) 0.524 4.620 ( -0.745 -0.000 -4.086) 4.153 4.684 ( -4.273 -0.000 -5.946) 7.323 4.732 ( -3.197 -0.000 -5.989) 6.789 4.918 ( 3.363 0.000 1.531) 3.696 5.024 ( -5.877 -0.000 -2.169) 6.265 5.132 ( 2.200 0.000 -2.339) 3.211 5.223 ( 0.951 0.000 0.661) 1.158 5.244 ( 6.432 0.000 2.944) 7.074 5.455 ( 1.971 0.000 3.623) 4.125 5.473 ( 4.796 0.000 4.258) 6.413 5.549 ( -4.487 -0.000 1.086) 4.617 5.582 ( -1.375 -0.000 0.292) 1.406 5.747 ( 0.833 0.000 -1.348) 1.585 6.287 ( 1.174 0.000 -0.172) 1.186 6.642 ( 1.972 0.000 -8.762) 8.981 6.841 ( 0.173 0.000 9.810) 9.811 6.959 ( 2.036 0.000 11.818) 11.992 ======================= Grid point 317 (156/160) ======================= q-point: (-0.22 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -12.024 3.979 1.365) 12.739 1.524 ( -11.611 -2.215 -5.738) 13.139 1.763 ( 1.741 -1.692 4.262) 4.905 1.818 ( 3.082 1.303 3.928) 5.160 1.841 ( 2.542 -0.416 5.047) 5.666 2.024 ( 10.941 -4.475 2.547) 12.092 2.434 ( -9.538 -2.071 -7.215) 12.137 2.465 ( 2.715 0.495 1.679) 3.230 2.854 ( 1.084 4.713 -3.052) 5.719 2.915 ( 6.928 5.333 -1.368) 8.849 2.998 ( -7.265 0.217 -5.975) 9.409 3.251 ( 1.229 0.960 -1.805) 2.385 3.561 ( 1.604 -1.627 -0.362) 2.313 3.659 ( -4.600 0.772 3.958) 6.117 3.761 ( -8.348 -0.059 0.469) 8.361 3.898 ( 5.518 -1.203 -0.076) 5.648 4.123 ( 2.342 -0.723 -1.513) 2.880 4.236 ( -2.201 0.318 0.112) 2.227 4.523 ( -3.593 5.004 -2.329) 6.586 4.564 ( -2.866 1.915 -4.378) 5.572 4.629 ( -1.854 -4.184 -0.981) 4.680 4.669 ( -1.739 -1.421 -2.723) 3.529 4.908 ( -2.280 1.663 -5.842) 6.487 5.004 ( 3.878 1.407 0.462) 4.151 5.138 ( -0.442 -3.558 -3.779) 5.209 5.228 ( 2.046 -0.518 -0.025) 2.111 5.376 ( 3.928 3.418 1.894) 5.541 5.467 ( 2.668 -0.254 -1.387) 3.018 5.504 ( -1.978 0.122 0.530) 2.051 5.546 ( 1.137 -2.282 4.073) 4.805 5.648 ( 3.241 -1.985 1.389) 4.047 5.910 ( 15.566 -4.606 1.752) 16.327 6.285 ( -2.142 0.448 2.342) 3.205 6.614 ( 1.403 2.077 -8.150) 8.527 6.850 ( -4.914 -0.792 7.751) 9.211 7.018 ( -1.228 0.643 8.629) 8.740 ======================= Grid point 318 (157/160) ======================= q-point: (-0.11 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -10.345 -0.694 6.337) 12.152 1.379 ( -7.918 -5.915 -0.472) 9.895 1.803 ( -1.450 -0.497 -0.940) 1.798 1.836 ( 3.195 0.563 0.269) 3.256 1.966 ( 8.409 4.552 7.032) 11.870 2.201 ( -3.061 -2.935 -4.072) 5.879 2.338 ( 5.707 -1.904 -2.174) 6.397 2.529 ( 3.381 -2.951 4.019) 6.025 2.724 ( -1.999 8.031 -8.228) 11.670 2.921 ( 5.891 6.003 -1.122) 8.485 2.944 ( 0.314 1.963 -3.760) 4.253 3.246 ( -2.957 0.034 -0.021) 2.957 3.486 ( -10.845 1.753 7.753) 13.446 3.651 ( -8.146 -1.647 1.114) 8.386 3.666 ( 2.666 -5.307 -0.179) 5.941 3.946 ( -0.738 1.044 1.366) 1.871 4.171 ( 2.555 -0.655 -0.595) 2.704 4.210 ( 0.377 0.697 -0.318) 0.854 4.424 ( -3.058 3.079 0.570) 4.377 4.501 ( 0.393 2.150 -2.610) 3.404 4.624 ( -1.040 -1.960 1.209) 2.527 4.694 ( 1.397 -3.194 -0.161) 3.490 4.825 ( -2.204 0.043 -6.925) 7.267 5.035 ( 3.692 1.698 -3.286) 5.226 5.150 ( -1.291 -1.762 -2.373) 3.226 5.273 ( 2.118 -0.266 -0.595) 2.216 5.369 ( -1.025 1.108 -1.727) 2.294 5.493 ( 2.007 -2.161 -1.331) 3.236 5.524 ( 2.891 0.791 -0.036) 2.998 5.609 ( 1.825 -1.169 4.357) 4.866 5.697 ( 1.843 1.100 -1.014) 2.373 6.165 ( -0.893 -1.740 -2.677) 3.315 6.294 ( 10.180 1.276 9.230) 13.801 6.549 ( -2.050 5.424 -1.826) 6.079 6.833 ( -1.071 -6.068 -0.709) 6.203 7.012 ( -3.149 -0.005 3.848) 4.973 ======================= Grid point 326 (158/160) ======================= q-point: (-0.22 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -9.391 -0.000 0.377) 9.398 1.304 ( -13.227 -0.000 6.392) 14.691 1.794 ( -3.551 -0.000 -1.686) 3.931 1.825 ( 3.213 0.000 2.094) 3.835 2.019 ( 6.028 0.000 8.272) 10.235 2.240 ( 13.132 0.000 5.821) 14.364 2.257 ( -1.387 -0.000 -6.651) 6.794 2.511 ( 1.881 0.000 0.897) 2.084 2.815 ( -8.325 -0.000 -6.469) 10.543 2.892 ( 4.928 0.000 -7.489) 8.965 3.072 ( 6.588 0.000 -2.358) 6.997 3.230 ( -1.059 -0.000 -2.976) 3.159 3.484 ( -15.301 -0.000 3.653) 15.731 3.596 ( 1.816 0.000 2.840) 3.371 3.658 ( -6.809 -0.000 4.753) 8.304 3.953 ( 0.333 0.000 1.318) 1.359 4.165 ( 2.537 0.000 -1.289) 2.846 4.219 ( 0.413 0.000 0.224) 0.470 4.456 ( -4.495 -0.000 -1.222) 4.658 4.535 ( -0.698 -0.000 -1.002) 1.221 4.597 ( 0.609 0.000 -0.453) 0.759 4.649 ( 1.492 0.000 -0.727) 1.660 4.842 ( -2.210 -0.000 -7.403) 7.726 5.043 ( -2.974 -0.000 -5.539) 6.287 5.117 ( 6.080 0.000 0.539) 6.104 5.268 ( 3.898 0.000 -0.776) 3.975 5.382 ( -3.467 -0.000 -4.722) 5.858 5.462 ( 2.998 0.000 -2.688) 4.027 5.562 ( -0.238 -0.000 5.968) 5.972 5.582 ( 4.351 0.000 1.844) 4.726 5.707 ( 4.000 0.000 -0.090) 4.001 6.143 ( 3.194 0.000 -3.410) 4.673 6.310 ( 9.182 0.000 10.645) 14.058 6.621 ( 4.377 0.000 -8.128) 9.232 6.752 ( -10.631 -0.000 6.323) 12.369 7.014 ( -3.324 -0.000 4.462) 5.564 ======================= Grid point 327 (159/160) ======================= q-point: (-0.11 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -10.012 -0.883 10.701) 14.681 1.247 ( -3.588 -4.857 9.999) 11.681 1.718 ( -4.771 -1.594 -1.453) 5.236 1.818 ( -8.813 -4.012 0.676) 9.707 2.022 ( 2.661 1.920 -3.535) 4.823 2.354 ( 12.914 9.996 2.589) 16.534 2.476 ( 7.895 0.767 0.316) 7.938 2.566 ( 3.797 -4.639 0.497) 6.015 2.694 ( -1.198 -0.096 0.152) 1.211 2.943 ( 7.245 2.749 -10.302) 12.891 3.091 ( 2.163 3.085 -3.036) 4.839 3.190 ( -3.322 2.871 3.394) 5.550 3.304 ( -9.705 -5.442 -0.153) 11.128 3.491 ( -11.728 -0.191 3.054) 12.121 3.738 ( 7.304 -0.740 5.778) 9.342 3.922 ( -4.224 0.513 2.578) 4.975 4.157 ( -0.033 -0.584 -4.983) 5.017 4.271 ( 3.201 0.393 3.886) 5.050 4.391 ( -2.833 0.478 0.643) 2.944 4.541 ( 2.075 2.127 1.070) 3.158 4.608 ( -0.234 -0.704 0.780) 1.076 4.692 ( 1.966 -2.898 -1.107) 3.673 4.768 ( -1.243 0.735 -5.851) 6.027 5.000 ( -1.323 -3.586 -3.255) 5.021 5.150 ( -1.960 3.122 -2.337) 4.365 5.301 ( -2.391 0.286 -5.727) 6.212 5.324 ( 3.336 0.603 -1.150) 3.580 5.499 ( 1.614 -1.681 -4.413) 4.990 5.588 ( 1.601 0.975 5.499) 5.809 5.645 ( 2.230 -0.798 -0.806) 2.502 5.754 ( 3.212 1.613 -1.508) 3.898 6.028 ( -10.438 -1.213 0.114) 10.508 6.483 ( -0.399 1.185 5.303) 5.448 6.549 ( -9.301 5.728 4.210) 11.707 6.788 ( 9.059 -8.318 -4.022) 12.939 7.013 ( 5.546 1.615 1.255) 5.911 ======================= Grid point 336 (160/160) ======================= q-point: (-0.11 -0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.43e-04 3.43e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -6.471 -0.000 14.140) 15.551 1.258 ( -5.558 -0.000 17.447) 18.311 1.639 ( -2.923 -0.000 -1.059) 3.109 1.640 ( -5.978 -0.000 3.524) 6.939 2.105 ( 7.572 0.000 -5.728) 9.495 2.512 ( -1.648 -0.000 -1.426) 2.179 2.517 ( 0.078 0.000 -1.504) 1.506 2.608 ( 4.617 0.000 0.199) 4.622 2.846 ( 13.246 0.000 8.730) 15.864 3.014 ( 3.900 0.000 -11.058) 11.725 3.027 ( -5.646 -0.000 0.087) 5.647 3.120 ( -4.680 -0.000 -6.422) 7.946 3.290 ( 8.369 0.000 -0.253) 8.372 3.296 ( -13.642 -0.000 2.338) 13.841 3.873 ( -3.552 -0.000 4.847) 6.009 3.929 ( 11.224 0.000 6.735) 13.090 4.134 ( 1.034 0.000 -3.933) 4.067 4.338 ( 2.077 0.000 4.155) 4.645 4.355 ( -2.394 -0.000 1.245) 2.698 4.598 ( -1.100 -0.000 -1.709) 2.033 4.612 ( 1.335 0.000 4.945) 5.122 4.677 ( 1.097 0.000 -3.290) 3.468 4.723 ( -1.453 -0.000 -3.931) 4.191 4.972 ( 0.791 0.000 0.293) 0.843 4.985 ( -17.150 -0.000 -6.077) 18.195 5.230 ( -3.124 -0.000 -7.309) 7.949 5.368 ( 1.987 0.000 0.068) 1.988 5.445 ( -3.923 -0.000 -4.474) 5.951 5.668 ( 4.447 0.000 4.585) 6.387 5.669 ( 3.526 0.000 -3.985) 5.321 5.792 ( 2.064 0.000 -2.458) 3.210 5.880 ( -7.490 -0.000 4.484) 8.730 6.382 ( -13.087 -0.000 2.055) 13.248 6.411 ( -9.410 -0.000 1.234) 9.491 6.850 ( 4.518 0.000 -0.554) 4.552 7.268 ( 18.529 0.000 1.225) 18.570 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/20412 10.0 286.431 293.151 264.976 0.000 86.565 0.000 3/20412 20.0 77.904 78.114 59.151 0.000 16.065 0.000 3/20412 30.0 31.610 30.857 21.456 0.000 5.927 0.000 3/20412 40.0 17.033 16.194 10.980 0.000 2.850 0.000 3/20412 50.0 10.967 10.206 6.912 0.000 1.643 0.000 3/20412 60.0 7.925 7.254 4.943 0.000 1.079 0.000 3/20412 70.0 6.175 5.583 3.833 0.000 0.777 0.000 3/20412 80.0 5.062 4.534 3.135 0.000 0.599 0.000 3/20412 90.0 4.298 3.822 2.659 0.000 0.484 0.000 3/20412 100.0 3.742 3.309 2.315 0.000 0.405 0.000 3/20412 110.0 3.320 2.922 2.054 0.000 0.348 0.000 3/20412 120.0 2.988 2.620 1.849 0.000 0.305 0.000 3/20412 130.0 2.719 2.378 1.683 0.000 0.272 0.000 3/20412 140.0 2.497 2.178 1.546 0.000 0.245 0.000 3/20412 150.0 2.310 2.011 1.431 0.000 0.224 0.000 3/20412 160.0 2.150 1.869 1.333 0.000 0.206 0.000 3/20412 170.0 2.012 1.746 1.248 0.000 0.191 0.000 3/20412 180.0 1.891 1.639 1.173 0.000 0.177 0.000 3/20412 190.0 1.784 1.545 1.107 0.000 0.166 0.000 3/20412 200.0 1.690 1.462 1.049 0.000 0.156 0.000 3/20412 210.0 1.604 1.387 0.996 0.000 0.148 0.000 3/20412 220.0 1.528 1.320 0.949 0.000 0.140 0.000 3/20412 230.0 1.458 1.259 0.906 0.000 0.133 0.000 3/20412 240.0 1.395 1.204 0.867 0.000 0.127 0.000 3/20412 250.0 1.337 1.153 0.831 0.000 0.121 0.000 3/20412 260.0 1.284 1.107 0.798 0.000 0.116 0.000 3/20412 270.0 1.235 1.064 0.767 0.000 0.111 0.000 3/20412 280.0 1.190 1.025 0.739 0.000 0.107 0.000 3/20412 290.0 1.147 0.988 0.713 0.000 0.103 0.000 3/20412 300.0 1.108 0.954 0.689 0.000 0.099 0.000 3/20412 310.0 1.072 0.922 0.666 0.000 0.095 0.000 3/20412 320.0 1.038 0.893 0.645 0.000 0.092 0.000 3/20412 330.0 1.006 0.865 0.625 0.000 0.089 0.000 3/20412 340.0 0.975 0.839 0.607 0.000 0.086 0.000 3/20412 350.0 0.947 0.815 0.589 0.000 0.084 0.000 3/20412 360.0 0.920 0.791 0.572 0.000 0.081 0.000 3/20412 370.0 0.895 0.770 0.557 0.000 0.079 0.000 3/20412 380.0 0.871 0.749 0.542 0.000 0.077 0.000 3/20412 390.0 0.849 0.729 0.528 0.000 0.075 0.000 3/20412 400.0 0.827 0.711 0.515 0.000 0.073 0.000 3/20412 410.0 0.807 0.693 0.502 0.000 0.071 0.000 3/20412 420.0 0.787 0.677 0.490 0.000 0.069 0.000 3/20412 430.0 0.769 0.661 0.478 0.000 0.067 0.000 3/20412 440.0 0.751 0.645 0.467 0.000 0.066 0.000 3/20412 450.0 0.734 0.631 0.457 0.000 0.064 0.000 3/20412 460.0 0.718 0.617 0.447 0.000 0.063 0.000 3/20412 470.0 0.703 0.604 0.437 0.000 0.061 0.000 3/20412 480.0 0.688 0.591 0.428 0.000 0.060 0.000 3/20412 490.0 0.674 0.579 0.420 0.000 0.059 0.000 3/20412 500.0 0.661 0.567 0.411 0.000 0.058 0.000 3/20412 510.0 0.648 0.556 0.403 0.000 0.056 0.000 3/20412 520.0 0.635 0.545 0.395 0.000 0.055 0.000 3/20412 530.0 0.623 0.535 0.388 0.000 0.054 0.000 3/20412 540.0 0.611 0.525 0.380 0.000 0.053 0.000 3/20412 550.0 0.600 0.515 0.374 0.000 0.052 0.000 3/20412 560.0 0.589 0.506 0.367 0.000 0.051 0.000 3/20412 570.0 0.579 0.497 0.360 0.000 0.050 0.000 3/20412 580.0 0.569 0.488 0.354 0.000 0.049 0.000 3/20412 590.0 0.559 0.480 0.348 0.000 0.049 0.000 3/20412 600.0 0.550 0.472 0.342 0.000 0.048 0.000 3/20412 610.0 0.541 0.464 0.337 0.000 0.047 0.000 3/20412 620.0 0.532 0.457 0.331 0.000 0.046 0.000 3/20412 630.0 0.524 0.449 0.326 0.000 0.045 0.000 3/20412 640.0 0.516 0.442 0.321 0.000 0.045 0.000 3/20412 650.0 0.508 0.435 0.316 0.000 0.044 0.000 3/20412 660.0 0.500 0.429 0.311 0.000 0.043 0.000 3/20412 670.0 0.492 0.422 0.306 0.000 0.043 0.000 3/20412 680.0 0.485 0.416 0.302 0.000 0.042 0.000 3/20412 690.0 0.478 0.410 0.298 0.000 0.041 0.000 3/20412 700.0 0.471 0.404 0.293 0.000 0.041 0.000 3/20412 710.0 0.465 0.399 0.289 0.000 0.040 0.000 3/20412 720.0 0.458 0.393 0.285 0.000 0.040 0.000 3/20412 730.0 0.452 0.388 0.281 0.000 0.039 0.000 3/20412 740.0 0.446 0.382 0.277 0.000 0.039 0.000 3/20412 750.0 0.440 0.377 0.274 0.000 0.038 0.000 3/20412 760.0 0.434 0.372 0.270 0.000 0.038 0.000 3/20412 770.0 0.428 0.367 0.267 0.000 0.037 0.000 3/20412 780.0 0.423 0.363 0.263 0.000 0.037 0.000 3/20412 790.0 0.417 0.358 0.260 0.000 0.036 0.000 3/20412 800.0 0.412 0.354 0.257 0.000 0.036 0.000 3/20412 810.0 0.407 0.349 0.253 0.000 0.035 0.000 3/20412 820.0 0.402 0.345 0.250 0.000 0.035 0.000 3/20412 830.0 0.397 0.341 0.247 0.000 0.034 0.000 3/20412 840.0 0.393 0.337 0.244 0.000 0.034 0.000 3/20412 850.0 0.388 0.333 0.242 0.000 0.034 0.000 3/20412 860.0 0.383 0.329 0.239 0.000 0.033 0.000 3/20412 870.0 0.379 0.325 0.236 0.000 0.033 0.000 3/20412 880.0 0.375 0.321 0.233 0.000 0.032 0.000 3/20412 890.0 0.371 0.318 0.231 0.000 0.032 0.000 3/20412 900.0 0.366 0.314 0.228 0.000 0.032 0.000 3/20412 910.0 0.362 0.311 0.226 0.000 0.031 0.000 3/20412 920.0 0.358 0.307 0.223 0.000 0.031 0.000 3/20412 930.0 0.355 0.304 0.221 0.000 0.031 0.000 3/20412 940.0 0.351 0.301 0.218 0.000 0.030 0.000 3/20412 950.0 0.347 0.298 0.216 0.000 0.030 0.000 3/20412 960.0 0.344 0.295 0.214 0.000 0.030 0.000 3/20412 970.0 0.340 0.292 0.212 0.000 0.029 0.000 3/20412 980.0 0.337 0.289 0.210 0.000 0.029 0.000 3/20412 990.0 0.333 0.286 0.207 0.000 0.029 0.000 3/20412 1000.0 0.330 0.283 0.205 0.000 0.028 0.000 3/20412 Thermal conductivity related properties were written into "kappa-m997.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:19:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|