----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:02:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.783267225000000 -6.605348200000000 0.000000000000000 b 2.783267225000000 6.605348200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.105163279999999 Atomic positions (fractional): *1 Li 0.21436175330986 0.78563824669014 0.75000000000000 6.941 2 Li 0.78563824669014 0.21436175330986 0.25000000000000 6.941 *3 Bi 0.84313673380254 0.15686326619746 0.75000000000000 208.980 *4 Bi 0.33515333161896 0.66484666838104 0.00506880308597 208.980 5 Bi 0.66484666838104 0.33515333161896 0.99493119691403 208.980 6 Bi 0.15686326619746 0.84313673380254 0.25000000000000 208.980 7 Bi 0.33515333161896 0.66484666838104 0.49493119691403 208.980 8 Bi 0.66484666838104 0.33515333161896 0.50506880308597 208.980 *9 I 0.49549823995558 0.50450176004442 0.75000000000000 126.904 *10 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 11 I 0.50450176004442 0.49549823995558 0.25000000000000 126.904 12 I 0.00000000000000 0.00000000000000 0.50000000000000 126.904 *13 O 0.00338749658679 0.49123735980647 0.87622081550872 15.999 14 O 0.50876264019353 0.99661250341321 0.87622081550872 15.999 15 O 0.99661250341321 0.50876264019353 0.12377918449127 15.999 16 O 0.49123735980647 0.00338749658679 0.12377918449127 15.999 17 O 0.99661250341321 0.50876264019353 0.37622081550872 15.999 18 O 0.00338749658679 0.49123735980647 0.62377918449128 15.999 19 O 0.49123735980647 0.00338749658679 0.37622081550872 15.999 20 O 0.50876264019353 0.99661250341321 0.62377918449128 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.566534450000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.210696400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.105163279999999 Atomic positions (fractional): *1 Li 0.50000000000000 0.28563824669014 0.75000000000000 6.941 > 1 2 Li 0.00000000000000 0.21436175330986 0.25000000000000 6.941 > 2 3 Li 0.00000000000000 0.78563824669014 0.75000000000000 6.941 > 1 4 Li 0.50000000000000 0.71436175330986 0.25000000000000 6.941 > 2 *5 Bi 0.00000000000000 0.15686326619746 0.75000000000000 208.980 > 3 *6 Bi 0.50000000000000 0.16484666838104 0.00506880308597 208.980 > 4 7 Bi 0.00000000000000 0.33515333161896 0.99493119691403 208.980 > 5 8 Bi 0.50000000000000 0.34313673380254 0.25000000000000 208.980 > 6 9 Bi 0.50000000000000 0.16484666838104 0.49493119691403 208.980 > 7 10 Bi 0.00000000000000 0.33515333161896 0.50506880308597 208.980 > 8 11 Bi 0.50000000000000 0.65686326619747 0.75000000000000 208.980 > 3 12 Bi 0.00000000000000 0.66484666838104 0.00506880308597 208.980 > 4 13 Bi 0.50000000000000 0.83515333161896 0.99493119691403 208.980 > 5 14 Bi 0.00000000000000 0.84313673380253 0.25000000000000 208.980 > 6 15 Bi 0.00000000000000 0.66484666838104 0.49493119691403 208.980 > 7 16 Bi 0.50000000000000 0.83515333161896 0.50506880308597 208.980 > 8 *17 I 0.50000000000000 0.00450176004442 0.75000000000000 126.904 > 9 *18 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 > 10 19 I 0.00000000000000 0.49549823995558 0.25000000000000 126.904 > 11 20 I 0.00000000000000 0.00000000000000 0.50000000000000 126.904 > 12 21 I 0.00000000000000 0.50450176004442 0.75000000000000 126.904 > 9 22 I 0.50000000000000 0.50000000000000 0.00000000000000 126.904 > 10 23 I 0.50000000000000 0.99549823995558 0.25000000000000 126.904 > 11 24 I 0.50000000000000 0.50000000000000 0.50000000000000 126.904 > 12 *25 O 0.24731242819663 0.24392493160984 0.87622081550872 15.999 > 13 26 O 0.75268757180337 0.24392493160984 0.87622081550872 15.999 > 14 27 O 0.25268757180337 0.25607506839016 0.12377918449127 15.999 > 15 28 O 0.74731242819663 0.25607506839016 0.12377918449127 15.999 > 16 29 O 0.25268757180337 0.25607506839016 0.37622081550872 15.999 > 17 30 O 0.24731242819663 0.24392493160984 0.62377918449128 15.999 > 18 31 O 0.74731242819663 0.25607506839016 0.37622081550872 15.999 > 19 32 O 0.75268757180337 0.24392493160984 0.62377918449128 15.999 > 20 33 O 0.74731242819663 0.74392493160984 0.87622081550872 15.999 > 13 34 O 0.25268757180337 0.74392493160984 0.87622081550872 15.999 > 14 35 O 0.75268757180337 0.75607506839016 0.12377918449127 15.999 > 15 36 O 0.24731242819663 0.75607506839016 0.12377918449127 15.999 > 16 37 O 0.75268757180337 0.75607506839016 0.37622081550872 15.999 > 17 38 O 0.74731242819663 0.74392493160984 0.62377918449128 15.999 > 18 39 O 0.24731242819663 0.75607506839016 0.37622081550872 15.999 > 19 40 O 0.25268757180337 0.74392493160984 0.62377918449128 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.133068900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.210696400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.105163279999999 Atomic positions (fractional): *1 Li 0.25000000000000 0.28563824669014 0.75000000000000 6.941 > 1 2 Li 0.75000000000000 0.28563824669014 0.75000000000000 6.941 > 1 3 Li 0.00000000000000 0.21436175330986 0.25000000000000 6.941 > 2 4 Li 0.50000000000000 0.21436175330986 0.25000000000000 6.941 > 2 5 Li 0.00000000000000 0.78563824669014 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.78563824669014 0.75000000000000 6.941 > 1 7 Li 0.25000000000000 0.71436175330986 0.25000000000000 6.941 > 2 8 Li 0.75000000000000 0.71436175330986 0.25000000000000 6.941 > 2 *9 Bi 0.00000000000000 0.15686326619746 0.75000000000000 208.980 > 3 10 Bi 0.50000000000000 0.15686326619746 0.75000000000000 208.980 > 3 *11 Bi 0.25000000000000 0.16484666838104 0.00506880308597 208.980 > 4 12 Bi 0.75000000000000 0.16484666838104 0.00506880308597 208.980 > 4 13 Bi 0.00000000000000 0.33515333161896 0.99493119691403 208.980 > 5 14 Bi 0.50000000000000 0.33515333161896 0.99493119691403 208.980 > 5 15 Bi 0.25000000000000 0.34313673380254 0.25000000000000 208.980 > 6 16 Bi 0.75000000000000 0.34313673380254 0.25000000000000 208.980 > 6 17 Bi 0.25000000000000 0.16484666838104 0.49493119691403 208.980 > 7 18 Bi 0.75000000000000 0.16484666838104 0.49493119691403 208.980 > 7 19 Bi 0.00000000000000 0.33515333161896 0.50506880308597 208.980 > 8 20 Bi 0.50000000000000 0.33515333161896 0.50506880308597 208.980 > 8 21 Bi 0.25000000000000 0.65686326619747 0.75000000000000 208.980 > 3 22 Bi 0.75000000000000 0.65686326619747 0.75000000000000 208.980 > 3 23 Bi 0.00000000000000 0.66484666838104 0.00506880308597 208.980 > 4 24 Bi 0.50000000000000 0.66484666838104 0.00506880308597 208.980 > 4 25 Bi 0.25000000000000 0.83515333161896 0.99493119691403 208.980 > 5 26 Bi 0.75000000000000 0.83515333161896 0.99493119691403 208.980 > 5 27 Bi 0.00000000000000 0.84313673380253 0.25000000000000 208.980 > 6 28 Bi 0.50000000000000 0.84313673380253 0.25000000000000 208.980 > 6 29 Bi 0.00000000000000 0.66484666838104 0.49493119691403 208.980 > 7 30 Bi 0.50000000000000 0.66484666838104 0.49493119691403 208.980 > 7 31 Bi 0.25000000000000 0.83515333161896 0.50506880308597 208.980 > 8 32 Bi 0.75000000000000 0.83515333161896 0.50506880308597 208.980 > 8 *33 I 0.25000000000000 0.00450176004442 0.75000000000000 126.904 > 9 34 I 0.75000000000000 0.00450176004442 0.75000000000000 126.904 > 9 *35 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 > 10 36 I 0.50000000000000 0.00000000000000 0.00000000000000 126.904 > 10 37 I 0.00000000000000 0.49549823995558 0.25000000000000 126.904 > 11 38 I 0.50000000000000 0.49549823995558 0.25000000000000 126.904 > 11 39 I 0.00000000000000 0.00000000000000 0.50000000000000 126.904 > 12 40 I 0.50000000000000 0.00000000000000 0.50000000000000 126.904 > 12 41 I 0.00000000000000 0.50450176004442 0.75000000000000 126.904 > 9 42 I 0.50000000000000 0.50450176004442 0.75000000000000 126.904 > 9 43 I 0.25000000000000 0.50000000000000 0.00000000000000 126.904 > 10 44 I 0.75000000000000 0.50000000000000 0.00000000000000 126.904 > 10 45 I 0.25000000000000 0.99549823995558 0.25000000000000 126.904 > 11 46 I 0.75000000000000 0.99549823995558 0.25000000000000 126.904 > 11 47 I 0.25000000000000 0.50000000000000 0.50000000000000 126.904 > 12 48 I 0.75000000000000 0.50000000000000 0.50000000000000 126.904 > 12 *49 O 0.12365621409831 0.24392493160984 0.87622081550872 15.999 > 13 50 O 0.62365621409831 0.24392493160984 0.87622081550872 15.999 > 13 51 O 0.37634378590168 0.24392493160984 0.87622081550872 15.999 > 14 52 O 0.87634378590168 0.24392493160984 0.87622081550872 15.999 > 14 53 O 0.12634378590168 0.25607506839016 0.12377918449127 15.999 > 15 54 O 0.62634378590168 0.25607506839016 0.12377918449127 15.999 > 15 55 O 0.37365621409832 0.25607506839016 0.12377918449127 15.999 > 16 56 O 0.87365621409832 0.25607506839016 0.12377918449127 15.999 > 16 57 O 0.12634378590168 0.25607506839016 0.37622081550872 15.999 > 17 58 O 0.62634378590168 0.25607506839016 0.37622081550872 15.999 > 17 59 O 0.12365621409831 0.24392493160984 0.62377918449128 15.999 > 18 60 O 0.62365621409831 0.24392493160984 0.62377918449128 15.999 > 18 61 O 0.37365621409832 0.25607506839016 0.37622081550872 15.999 > 19 62 O 0.87365621409832 0.25607506839016 0.37622081550872 15.999 > 19 63 O 0.37634378590168 0.24392493160984 0.62377918449128 15.999 > 20 64 O 0.87634378590168 0.24392493160984 0.62377918449128 15.999 > 20 65 O 0.37365621409832 0.74392493160984 0.87622081550872 15.999 > 13 66 O 0.87365621409832 0.74392493160984 0.87622081550872 15.999 > 13 67 O 0.12634378590168 0.74392493160984 0.87622081550872 15.999 > 14 68 O 0.62634378590168 0.74392493160984 0.87622081550872 15.999 > 14 69 O 0.37634378590168 0.75607506839016 0.12377918449127 15.999 > 15 70 O 0.87634378590168 0.75607506839016 0.12377918449127 15.999 > 15 71 O 0.12365621409831 0.75607506839016 0.12377918449127 15.999 > 16 72 O 0.62365621409831 0.75607506839016 0.12377918449127 15.999 > 16 73 O 0.37634378590168 0.75607506839016 0.37622081550872 15.999 > 17 74 O 0.87634378590168 0.75607506839016 0.37622081550872 15.999 > 17 75 O 0.37365621409832 0.74392493160984 0.62377918449128 15.999 > 18 76 O 0.87365621409832 0.74392493160984 0.62377918449128 15.999 > 18 77 O 0.12365621409831 0.75607506839016 0.37622081550872 15.999 > 19 78 O 0.62365621409831 0.75607506839016 0.37622081550872 15.999 > 19 79 O 0.12634378590168 0.74392493160984 0.62377918449128 15.999 > 20 80 O 0.62634378590168 0.74392493160984 0.62377918449128 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3485074 0.0000000 0.0000000 0.0000000 6.2139692 0.0000000 0.0000000 0.0000000 7.3409849 -------------------------- Born effective charges -------------------------- 1 Li 1.3632566 0.0000000 0.0000000 0.0000000 1.0617370 0.0000000 0.0000000 -0.0000000 1.3870890 2 Li 1.3632566 0.0000000 0.0000000 0.0000000 1.0617370 0.0000000 0.0000000 -0.0000000 1.3870890 3 Bi 4.7415839 0.0000000 0.0000000 0.0000000 3.6700160 0.0000000 0.0000000 -0.0000000 6.4944508 4 Bi 5.3357110 0.0000000 0.0000000 0.0000000 4.3817999 0.6345595 0.0000000 -0.0103190 4.2847189 5 Bi 5.3357110 0.0000000 0.0000000 0.0000000 4.3817999 0.6345595 0.0000000 -0.0103190 4.2847189 6 Bi 4.7415839 0.0000000 0.0000000 0.0000000 3.6700160 0.0000000 0.0000000 -0.0000000 6.4944508 7 Bi 5.3357110 0.0000000 0.0000000 0.0000000 4.3817999 -0.6345595 0.0000000 0.0103190 4.2847189 8 Bi 5.3357110 0.0000000 0.0000000 0.0000000 4.3817999 -0.6345595 0.0000000 0.0103190 4.2847189 9 I -1.6005911 0.0000000 0.0000000 0.0000000 -1.9039541 0.0000000 0.0000000 -0.0000000 -2.1535419 10 I -2.2395240 0.0000000 0.0000000 0.0000000 -1.8033815 0.5884295 0.0000000 0.6700260 -1.5835602 11 I -1.6005911 0.0000000 0.0000000 0.0000000 -1.9039541 0.0000000 0.0000000 -0.0000000 -2.1535419 12 I -2.2395240 0.0000000 0.0000000 0.0000000 -1.8033815 -0.5884295 0.0000000 -0.6700260 -1.5835602 13 O -3.2340369 0.7581219 -0.9250586 0.5503395 -2.4470043 -0.7759164 -0.7001683 -0.8369305 -3.1784689 14 O -3.2340369 -0.7581219 0.9250586 -0.5503395 -2.4470043 -0.7759164 0.7001683 -0.8369305 -3.1784689 15 O -3.2340369 0.7581219 -0.9250586 0.5503395 -2.4470043 -0.7759164 -0.7001683 -0.8369305 -3.1784689 16 O -3.2340369 -0.7581219 0.9250586 -0.5503395 -2.4470043 -0.7759164 0.7001683 -0.8369305 -3.1784689 17 O -3.2340369 0.7581219 0.9250586 0.5503395 -2.4470043 0.7759164 0.7001683 0.8369305 -3.1784689 18 O -3.2340369 0.7581219 0.9250586 0.5503395 -2.4470043 0.7759164 0.7001683 0.8369305 -3.1784689 19 O -3.2340369 -0.7581219 -0.9250586 -0.5503395 -2.4470043 0.7759164 -0.7001683 0.8369305 -3.1784689 20 O -3.2340369 -0.7581219 -0.9250586 -0.5503395 -2.4470043 0.7759164 -0.7001683 0.8369305 -3.1784689 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 8340/8340 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1027 Number of blocks in projector: 1027 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: 212 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 163 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 163 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 163 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 154 Use standard eigh solver. Tree of FC basis block matrices: - (1027, 999), data: False |-- (154, 152), data: True |-- (163, 157), data: True |-- (163, 157), data: True |-- (163, 157), data: True |-- (172, 170), data: True |-- (212, 206), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.774 Solver_block: 200 / 320 - Time: 0.789 Solver_block: 300 / 320 - Time: 0.789 Solver_block: 320 / 320 - Time: 0.220 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.598 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 8340/8340 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1027 Number of blocks in projector: 1027 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: 212 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 163 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 163 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 163 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 154 Use standard eigh solver. Tree of FC basis block matrices: - (1027, 999), data: False |-- (154, 152), data: True |-- (163, 157), data: True |-- (163, 157), data: True |-- (163, 157), data: True |-- (172, 170), data: True |-- (212, 206), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:02:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:02:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.783267225000000 -6.605348200000000 0.000000000000000 b 2.783267225000000 6.605348200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.105163279999999 Atomic positions (fractional): 1 Li 0.21436175330986 0.78563824669014 0.75000000000000 6.941 2 Li 0.78563824669014 0.21436175330986 0.25000000000000 6.941 3 Bi 0.84313673380254 0.15686326619746 0.75000000000000 208.980 4 Bi 0.33515333161896 0.66484666838104 0.00506880308597 208.980 5 Bi 0.66484666838104 0.33515333161896 0.99493119691403 208.980 6 Bi 0.15686326619746 0.84313673380254 0.25000000000000 208.980 7 Bi 0.33515333161896 0.66484666838104 0.49493119691403 208.980 8 Bi 0.66484666838104 0.33515333161896 0.50506880308597 208.980 9 I 0.49549823995558 0.50450176004442 0.75000000000000 126.904 10 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 11 I 0.50450176004442 0.49549823995558 0.25000000000000 126.904 12 I 0.00000000000000 0.00000000000000 0.50000000000000 126.904 13 O 0.00338749658679 0.49123735980647 0.87622081550872 15.999 14 O 0.50876264019353 0.99661250341321 0.87622081550872 15.999 15 O 0.99661250341321 0.50876264019353 0.12377918449127 15.999 16 O 0.49123735980647 0.00338749658679 0.12377918449127 15.999 17 O 0.99661250341321 0.50876264019353 0.37622081550872 15.999 18 O 0.00338749658679 0.49123735980647 0.62377918449128 15.999 19 O 0.49123735980647 0.00338749658679 0.37622081550872 15.999 20 O 0.50876264019353 0.99661250341321 0.62377918449128 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.133068900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.210696400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.105163279999999 Atomic positions (fractional): 1 Li 0.25000000000000 0.28563824669014 0.75000000000000 6.941 > 1 2 Li 0.75000000000000 0.28563824669014 0.75000000000000 6.941 > 1 3 Li 0.00000000000000 0.21436175330986 0.25000000000000 6.941 > 3 4 Li 0.50000000000000 0.21436175330986 0.25000000000000 6.941 > 3 5 Li 0.00000000000000 0.78563824669014 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.78563824669014 0.75000000000000 6.941 > 1 7 Li 0.25000000000000 0.71436175330986 0.25000000000000 6.941 > 3 8 Li 0.75000000000000 0.71436175330986 0.25000000000000 6.941 > 3 9 Bi 0.00000000000000 0.15686326619746 0.75000000000000 208.980 > 9 10 Bi 0.50000000000000 0.15686326619746 0.75000000000000 208.980 > 9 11 Bi 0.25000000000000 0.16484666838104 0.00506880308597 208.980 > 11 12 Bi 0.75000000000000 0.16484666838104 0.00506880308597 208.980 > 11 13 Bi 0.00000000000000 0.33515333161896 0.99493119691403 208.980 > 13 14 Bi 0.50000000000000 0.33515333161896 0.99493119691403 208.980 > 13 15 Bi 0.25000000000000 0.34313673380254 0.25000000000000 208.980 > 15 16 Bi 0.75000000000000 0.34313673380254 0.25000000000000 208.980 > 15 17 Bi 0.25000000000000 0.16484666838104 0.49493119691403 208.980 > 17 18 Bi 0.75000000000000 0.16484666838104 0.49493119691403 208.980 > 17 19 Bi 0.00000000000000 0.33515333161896 0.50506880308597 208.980 > 19 20 Bi 0.50000000000000 0.33515333161896 0.50506880308597 208.980 > 19 21 Bi 0.25000000000000 0.65686326619747 0.75000000000000 208.980 > 9 22 Bi 0.75000000000000 0.65686326619747 0.75000000000000 208.980 > 9 23 Bi 0.00000000000000 0.66484666838104 0.00506880308597 208.980 > 11 24 Bi 0.50000000000000 0.66484666838104 0.00506880308597 208.980 > 11 25 Bi 0.25000000000000 0.83515333161896 0.99493119691403 208.980 > 13 26 Bi 0.75000000000000 0.83515333161896 0.99493119691403 208.980 > 13 27 Bi 0.00000000000000 0.84313673380253 0.25000000000000 208.980 > 15 28 Bi 0.50000000000000 0.84313673380253 0.25000000000000 208.980 > 15 29 Bi 0.00000000000000 0.66484666838104 0.49493119691403 208.980 > 17 30 Bi 0.50000000000000 0.66484666838104 0.49493119691403 208.980 > 17 31 Bi 0.25000000000000 0.83515333161896 0.50506880308597 208.980 > 19 32 Bi 0.75000000000000 0.83515333161896 0.50506880308597 208.980 > 19 33 I 0.25000000000000 0.00450176004442 0.75000000000000 126.904 > 33 34 I 0.75000000000000 0.00450176004442 0.75000000000000 126.904 > 33 35 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 > 35 36 I 0.50000000000000 0.00000000000000 0.00000000000000 126.904 > 35 37 I 0.00000000000000 0.49549823995558 0.25000000000000 126.904 > 37 38 I 0.50000000000000 0.49549823995558 0.25000000000000 126.904 > 37 39 I 0.00000000000000 0.00000000000000 0.50000000000000 126.904 > 39 40 I 0.50000000000000 0.00000000000000 0.50000000000000 126.904 > 39 41 I 0.00000000000000 0.50450176004442 0.75000000000000 126.904 > 33 42 I 0.50000000000000 0.50450176004442 0.75000000000000 126.904 > 33 43 I 0.25000000000000 0.50000000000000 0.00000000000000 126.904 > 35 44 I 0.75000000000000 0.50000000000000 0.00000000000000 126.904 > 35 45 I 0.25000000000000 0.99549823995558 0.25000000000000 126.904 > 37 46 I 0.75000000000000 0.99549823995558 0.25000000000000 126.904 > 37 47 I 0.25000000000000 0.50000000000000 0.50000000000000 126.904 > 39 48 I 0.75000000000000 0.50000000000000 0.50000000000000 126.904 > 39 49 O 0.12365621409831 0.24392493160984 0.87622081550872 15.999 > 49 50 O 0.62365621409831 0.24392493160984 0.87622081550872 15.999 > 49 51 O 0.37634378590168 0.24392493160984 0.87622081550872 15.999 > 51 52 O 0.87634378590168 0.24392493160984 0.87622081550872 15.999 > 51 53 O 0.12634378590168 0.25607506839016 0.12377918449127 15.999 > 53 54 O 0.62634378590168 0.25607506839016 0.12377918449127 15.999 > 53 55 O 0.37365621409832 0.25607506839016 0.12377918449127 15.999 > 55 56 O 0.87365621409832 0.25607506839016 0.12377918449127 15.999 > 55 57 O 0.12634378590168 0.25607506839016 0.37622081550872 15.999 > 57 58 O 0.62634378590168 0.25607506839016 0.37622081550872 15.999 > 57 59 O 0.12365621409831 0.24392493160984 0.62377918449128 15.999 > 59 60 O 0.62365621409831 0.24392493160984 0.62377918449128 15.999 > 59 61 O 0.37365621409832 0.25607506839016 0.37622081550872 15.999 > 61 62 O 0.87365621409832 0.25607506839016 0.37622081550872 15.999 > 61 63 O 0.37634378590168 0.24392493160984 0.62377918449128 15.999 > 63 64 O 0.87634378590168 0.24392493160984 0.62377918449128 15.999 > 63 65 O 0.37365621409832 0.74392493160984 0.87622081550872 15.999 > 49 66 O 0.87365621409832 0.74392493160984 0.87622081550872 15.999 > 49 67 O 0.12634378590168 0.74392493160984 0.87622081550872 15.999 > 51 68 O 0.62634378590168 0.74392493160984 0.87622081550872 15.999 > 51 69 O 0.37634378590168 0.75607506839016 0.12377918449127 15.999 > 53 70 O 0.87634378590168 0.75607506839016 0.12377918449127 15.999 > 53 71 O 0.12365621409831 0.75607506839016 0.12377918449127 15.999 > 55 72 O 0.62365621409831 0.75607506839016 0.12377918449127 15.999 > 55 73 O 0.37634378590168 0.75607506839016 0.37622081550872 15.999 > 57 74 O 0.87634378590168 0.75607506839016 0.37622081550872 15.999 > 57 75 O 0.37365621409832 0.74392493160984 0.62377918449128 15.999 > 59 76 O 0.87365621409832 0.74392493160984 0.62377918449128 15.999 > 59 77 O 0.12365621409831 0.75607506839016 0.37622081550872 15.999 > 61 78 O 0.62365621409831 0.75607506839016 0.37622081550872 15.999 > 61 79 O 0.12634378590168 0.74392493160984 0.62377918449128 15.999 > 63 80 O 0.62634378590168 0.74392493160984 0.62377918449128 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3485074 0.0000000 0.0000000 0.0000000 6.2139692 0.0000000 0.0000000 0.0000000 7.3409849 -------------------------- Born effective charges -------------------------- 1 Li 1.3632566 0.0000000 0.0000000 0.0000000 1.0617370 0.0000000 0.0000000 -0.0000000 1.3870890 2 Li 1.3632566 0.0000000 0.0000000 0.0000000 1.0617370 0.0000000 0.0000000 -0.0000000 1.3870890 3 Bi 4.7415839 0.0000000 0.0000000 0.0000000 3.6700160 0.0000000 0.0000000 -0.0000000 6.4944508 4 Bi 5.3357110 0.0000000 0.0000000 0.0000000 4.3817999 0.6345595 0.0000000 -0.0103190 4.2847189 5 Bi 5.3357110 0.0000000 0.0000000 0.0000000 4.3817999 0.6345595 0.0000000 -0.0103190 4.2847189 6 Bi 4.7415839 0.0000000 0.0000000 0.0000000 3.6700160 0.0000000 0.0000000 -0.0000000 6.4944508 7 Bi 5.3357110 0.0000000 0.0000000 0.0000000 4.3817999 -0.6345595 0.0000000 0.0103190 4.2847189 8 Bi 5.3357110 0.0000000 0.0000000 0.0000000 4.3817999 -0.6345595 0.0000000 0.0103190 4.2847189 9 I -1.6005911 0.0000000 0.0000000 0.0000000 -1.9039541 0.0000000 0.0000000 -0.0000000 -2.1535419 10 I -2.2395240 0.0000000 0.0000000 0.0000000 -1.8033815 0.5884295 0.0000000 0.6700260 -1.5835602 11 I -1.6005911 0.0000000 0.0000000 0.0000000 -1.9039541 0.0000000 0.0000000 -0.0000000 -2.1535419 12 I -2.2395240 0.0000000 0.0000000 0.0000000 -1.8033815 -0.5884295 0.0000000 -0.6700260 -1.5835602 13 O -3.2340369 0.7581219 -0.9250586 0.5503395 -2.4470043 -0.7759164 -0.7001683 -0.8369305 -3.1784689 14 O -3.2340369 -0.7581219 0.9250586 -0.5503395 -2.4470043 -0.7759164 0.7001683 -0.8369305 -3.1784689 15 O -3.2340369 0.7581219 -0.9250586 0.5503395 -2.4470043 -0.7759164 -0.7001683 -0.8369305 -3.1784689 16 O -3.2340369 -0.7581219 0.9250586 -0.5503395 -2.4470043 -0.7759164 0.7001683 -0.8369305 -3.1784689 17 O -3.2340369 0.7581219 0.9250586 0.5503395 -2.4470043 0.7759164 0.7001683 0.8369305 -3.1784689 18 O -3.2340369 0.7581219 0.9250586 0.5503395 -2.4470043 0.7759164 0.7001683 0.8369305 -3.1784689 19 O -3.2340369 -0.7581219 -0.9250586 -0.5503395 -2.4470043 0.7759164 -0.7001683 0.8369305 -3.1784689 20 O -3.2340369 -0.7581219 -0.9250586 -0.5503395 -2.4470043 0.7759164 -0.7001683 0.8369305 -3.1784689 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 11, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xyx) -0.00000003 (xyx) -0.00000003 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 2026-01-09 03:02:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:02:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.783267225000000 -6.605348200000000 0.000000000000000 b 2.783267225000000 6.605348200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.105163279999999 Atomic positions (fractional): 1 Li 0.21436175330986 0.78563824669014 0.75000000000000 6.941 2 Li 0.78563824669014 0.21436175330986 0.25000000000000 6.941 3 Bi 0.84313673380254 0.15686326619746 0.75000000000000 208.980 4 Bi 0.33515333161896 0.66484666838104 0.00506880308597 208.980 5 Bi 0.66484666838104 0.33515333161896 0.99493119691403 208.980 6 Bi 0.15686326619746 0.84313673380254 0.25000000000000 208.980 7 Bi 0.33515333161896 0.66484666838104 0.49493119691403 208.980 8 Bi 0.66484666838104 0.33515333161896 0.50506880308597 208.980 9 I 0.49549823995558 0.50450176004442 0.75000000000000 126.904 10 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 11 I 0.50450176004442 0.49549823995558 0.25000000000000 126.904 12 I 0.00000000000000 0.00000000000000 0.50000000000000 126.904 13 O 0.00338749658679 0.49123735980647 0.87622081550872 15.999 14 O 0.50876264019353 0.99661250341321 0.87622081550872 15.999 15 O 0.99661250341321 0.50876264019353 0.12377918449127 15.999 16 O 0.49123735980647 0.00338749658679 0.12377918449127 15.999 17 O 0.99661250341321 0.50876264019353 0.37622081550872 15.999 18 O 0.00338749658679 0.49123735980647 0.62377918449128 15.999 19 O 0.49123735980647 0.00338749658679 0.37622081550872 15.999 20 O 0.50876264019353 0.99661250341321 0.62377918449128 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.133068900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.210696400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.105163279999999 Atomic positions (fractional): 1 Li 0.25000000000000 0.28563824669014 0.75000000000000 6.941 > 1 2 Li 0.75000000000000 0.28563824669014 0.75000000000000 6.941 > 1 3 Li 0.00000000000000 0.21436175330986 0.25000000000000 6.941 > 3 4 Li 0.50000000000000 0.21436175330986 0.25000000000000 6.941 > 3 5 Li 0.00000000000000 0.78563824669014 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.78563824669014 0.75000000000000 6.941 > 1 7 Li 0.25000000000000 0.71436175330986 0.25000000000000 6.941 > 3 8 Li 0.75000000000000 0.71436175330986 0.25000000000000 6.941 > 3 9 Bi 0.00000000000000 0.15686326619746 0.75000000000000 208.980 > 9 10 Bi 0.50000000000000 0.15686326619746 0.75000000000000 208.980 > 9 11 Bi 0.25000000000000 0.16484666838104 0.00506880308597 208.980 > 11 12 Bi 0.75000000000000 0.16484666838104 0.00506880308597 208.980 > 11 13 Bi 0.00000000000000 0.33515333161896 0.99493119691403 208.980 > 13 14 Bi 0.50000000000000 0.33515333161896 0.99493119691403 208.980 > 13 15 Bi 0.25000000000000 0.34313673380254 0.25000000000000 208.980 > 15 16 Bi 0.75000000000000 0.34313673380254 0.25000000000000 208.980 > 15 17 Bi 0.25000000000000 0.16484666838104 0.49493119691403 208.980 > 17 18 Bi 0.75000000000000 0.16484666838104 0.49493119691403 208.980 > 17 19 Bi 0.00000000000000 0.33515333161896 0.50506880308597 208.980 > 19 20 Bi 0.50000000000000 0.33515333161896 0.50506880308597 208.980 > 19 21 Bi 0.25000000000000 0.65686326619747 0.75000000000000 208.980 > 9 22 Bi 0.75000000000000 0.65686326619747 0.75000000000000 208.980 > 9 23 Bi 0.00000000000000 0.66484666838104 0.00506880308597 208.980 > 11 24 Bi 0.50000000000000 0.66484666838104 0.00506880308597 208.980 > 11 25 Bi 0.25000000000000 0.83515333161896 0.99493119691403 208.980 > 13 26 Bi 0.75000000000000 0.83515333161896 0.99493119691403 208.980 > 13 27 Bi 0.00000000000000 0.84313673380253 0.25000000000000 208.980 > 15 28 Bi 0.50000000000000 0.84313673380253 0.25000000000000 208.980 > 15 29 Bi 0.00000000000000 0.66484666838104 0.49493119691403 208.980 > 17 30 Bi 0.50000000000000 0.66484666838104 0.49493119691403 208.980 > 17 31 Bi 0.25000000000000 0.83515333161896 0.50506880308597 208.980 > 19 32 Bi 0.75000000000000 0.83515333161896 0.50506880308597 208.980 > 19 33 I 0.25000000000000 0.00450176004442 0.75000000000000 126.904 > 33 34 I 0.75000000000000 0.00450176004442 0.75000000000000 126.904 > 33 35 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 > 35 36 I 0.50000000000000 0.00000000000000 0.00000000000000 126.904 > 35 37 I 0.00000000000000 0.49549823995558 0.25000000000000 126.904 > 37 38 I 0.50000000000000 0.49549823995558 0.25000000000000 126.904 > 37 39 I 0.00000000000000 0.00000000000000 0.50000000000000 126.904 > 39 40 I 0.50000000000000 0.00000000000000 0.50000000000000 126.904 > 39 41 I 0.00000000000000 0.50450176004442 0.75000000000000 126.904 > 33 42 I 0.50000000000000 0.50450176004442 0.75000000000000 126.904 > 33 43 I 0.25000000000000 0.50000000000000 0.00000000000000 126.904 > 35 44 I 0.75000000000000 0.50000000000000 0.00000000000000 126.904 > 35 45 I 0.25000000000000 0.99549823995558 0.25000000000000 126.904 > 37 46 I 0.75000000000000 0.99549823995558 0.25000000000000 126.904 > 37 47 I 0.25000000000000 0.50000000000000 0.50000000000000 126.904 > 39 48 I 0.75000000000000 0.50000000000000 0.50000000000000 126.904 > 39 49 O 0.12365621409831 0.24392493160984 0.87622081550872 15.999 > 49 50 O 0.62365621409831 0.24392493160984 0.87622081550872 15.999 > 49 51 O 0.37634378590168 0.24392493160984 0.87622081550872 15.999 > 51 52 O 0.87634378590168 0.24392493160984 0.87622081550872 15.999 > 51 53 O 0.12634378590168 0.25607506839016 0.12377918449127 15.999 > 53 54 O 0.62634378590168 0.25607506839016 0.12377918449127 15.999 > 53 55 O 0.37365621409832 0.25607506839016 0.12377918449127 15.999 > 55 56 O 0.87365621409832 0.25607506839016 0.12377918449127 15.999 > 55 57 O 0.12634378590168 0.25607506839016 0.37622081550872 15.999 > 57 58 O 0.62634378590168 0.25607506839016 0.37622081550872 15.999 > 57 59 O 0.12365621409831 0.24392493160984 0.62377918449128 15.999 > 59 60 O 0.62365621409831 0.24392493160984 0.62377918449128 15.999 > 59 61 O 0.37365621409832 0.25607506839016 0.37622081550872 15.999 > 61 62 O 0.87365621409832 0.25607506839016 0.37622081550872 15.999 > 61 63 O 0.37634378590168 0.24392493160984 0.62377918449128 15.999 > 63 64 O 0.87634378590168 0.24392493160984 0.62377918449128 15.999 > 63 65 O 0.37365621409832 0.74392493160984 0.87622081550872 15.999 > 49 66 O 0.87365621409832 0.74392493160984 0.87622081550872 15.999 > 49 67 O 0.12634378590168 0.74392493160984 0.87622081550872 15.999 > 51 68 O 0.62634378590168 0.74392493160984 0.87622081550872 15.999 > 51 69 O 0.37634378590168 0.75607506839016 0.12377918449127 15.999 > 53 70 O 0.87634378590168 0.75607506839016 0.12377918449127 15.999 > 53 71 O 0.12365621409831 0.75607506839016 0.12377918449127 15.999 > 55 72 O 0.62365621409831 0.75607506839016 0.12377918449127 15.999 > 55 73 O 0.37634378590168 0.75607506839016 0.37622081550872 15.999 > 57 74 O 0.87634378590168 0.75607506839016 0.37622081550872 15.999 > 57 75 O 0.37365621409832 0.74392493160984 0.62377918449128 15.999 > 59 76 O 0.87365621409832 0.74392493160984 0.62377918449128 15.999 > 59 77 O 0.12365621409831 0.75607506839016 0.37622081550872 15.999 > 61 78 O 0.62365621409831 0.75607506839016 0.37622081550872 15.999 > 61 79 O 0.12634378590168 0.74392493160984 0.62377918449128 15.999 > 63 80 O 0.62634378590168 0.74392493160984 0.62377918449128 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.3485074 0.0000000 0.0000000 0.0000000 6.2139692 0.0000000 0.0000000 0.0000000 7.3409849 -------------------------- Born effective charges -------------------------- 1 Li 1.3632566 0.0000000 0.0000000 0.0000000 1.0617370 0.0000000 0.0000000 -0.0000000 1.3870890 2 Li 1.3632566 0.0000000 0.0000000 0.0000000 1.0617370 0.0000000 0.0000000 -0.0000000 1.3870890 3 Bi 4.7415839 0.0000000 0.0000000 0.0000000 3.6700160 0.0000000 0.0000000 -0.0000000 6.4944508 4 Bi 5.3357110 0.0000000 0.0000000 0.0000000 4.3817999 0.6345595 0.0000000 -0.0103190 4.2847189 5 Bi 5.3357110 0.0000000 0.0000000 0.0000000 4.3817999 0.6345595 0.0000000 -0.0103190 4.2847189 6 Bi 4.7415839 0.0000000 0.0000000 0.0000000 3.6700160 0.0000000 0.0000000 -0.0000000 6.4944508 7 Bi 5.3357110 0.0000000 0.0000000 0.0000000 4.3817999 -0.6345595 0.0000000 0.0103190 4.2847189 8 Bi 5.3357110 0.0000000 0.0000000 0.0000000 4.3817999 -0.6345595 0.0000000 0.0103190 4.2847189 9 I -1.6005911 0.0000000 0.0000000 0.0000000 -1.9039541 0.0000000 0.0000000 -0.0000000 -2.1535419 10 I -2.2395240 0.0000000 0.0000000 0.0000000 -1.8033815 0.5884295 0.0000000 0.6700260 -1.5835602 11 I -1.6005911 0.0000000 0.0000000 0.0000000 -1.9039541 0.0000000 0.0000000 -0.0000000 -2.1535419 12 I -2.2395240 0.0000000 0.0000000 0.0000000 -1.8033815 -0.5884295 0.0000000 -0.6700260 -1.5835602 13 O -3.2340369 0.7581219 -0.9250586 0.5503395 -2.4470043 -0.7759164 -0.7001683 -0.8369305 -3.1784689 14 O -3.2340369 -0.7581219 0.9250586 -0.5503395 -2.4470043 -0.7759164 0.7001683 -0.8369305 -3.1784689 15 O -3.2340369 0.7581219 -0.9250586 0.5503395 -2.4470043 -0.7759164 -0.7001683 -0.8369305 -3.1784689 16 O -3.2340369 -0.7581219 0.9250586 -0.5503395 -2.4470043 -0.7759164 0.7001683 -0.8369305 -3.1784689 17 O -3.2340369 0.7581219 0.9250586 0.5503395 -2.4470043 0.7759164 0.7001683 0.8369305 -3.1784689 18 O -3.2340369 0.7581219 0.9250586 0.5503395 -2.4470043 0.7759164 0.7001683 0.8369305 -3.1784689 19 O -3.2340369 -0.7581219 -0.9250586 -0.5503395 -2.4470043 0.7759164 -0.7001683 0.8369305 -3.1784689 20 O -3.2340369 -0.7581219 -0.9250586 -0.5503395 -2.4470043 0.7759164 -0.7001683 0.8369305 -3.1784689 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xyx) -0.00000003 (xyx) -0.00000003 (xxy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 5 ] 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: 0.56, Number of G-points: 293, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 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 1.036 ( 0.000 0.000 0.000) 0.000 1.362 ( 0.000 0.000 0.000) 0.000 1.514 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.633 ( 0.000 0.000 0.000) 0.000 1.651 ( 0.000 0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.383 ( 0.000 0.000 0.000) 0.000 2.427 ( 0.000 0.000 0.000) 0.000 2.471 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 4.016 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 6.964 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.759 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 8.097 ( 0.000 0.000 0.000) 0.000 8.169 ( 0.000 0.000 0.000) 0.000 8.262 ( 0.000 0.000 0.000) 0.000 8.626 ( 0.000 0.000 0.000) 0.000 9.036 ( 0.000 0.000 0.000) 0.000 9.053 ( 0.000 0.000 0.000) 0.000 10.107 ( 0.000 0.000 0.000) 0.000 10.290 ( 0.000 0.000 0.000) 0.000 10.341 ( 0.000 0.000 0.000) 0.000 10.452 ( 0.000 0.000 0.000) 0.000 10.461 ( 0.000 0.000 0.000) 0.000 10.526 ( 0.000 0.000 0.000) 0.000 10.723 ( 0.000 0.000 0.000) 0.000 10.848 ( 0.000 0.000 0.000) 0.000 11.447 ( 0.000 0.000 0.000) 0.000 11.657 ( 0.000 0.000 0.000) 0.000 11.679 ( 0.000 0.000 0.000) 0.000 12.836 ( 0.000 0.000 0.000) 0.000 13.075 ( 0.000 0.000 0.000) 0.000 13.401 ( 0.000 0.000 0.000) 0.000 13.712 ( 0.000 0.000 0.000) 0.000 14.455 ( 0.000 0.000 0.000) 0.000 15.165 ( 0.000 0.000 0.000) 0.000 15.292 ( 0.000 0.000 0.000) 0.000 15.326 ( 0.000 0.000 0.000) 0.000 15.719 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 15.203 -5.309 0.000) 16.103 0.323 ( 14.975 -6.525 0.000) 16.334 0.735 ( 36.672 -4.862 0.000) 36.993 1.076 ( 3.699 -1.249 0.000) 3.904 1.450 ( -3.929 0.553 0.000) 3.968 1.471 ( 10.505 -0.788 0.000) 10.535 1.641 ( 1.230 0.608 0.000) 1.372 1.665 ( 1.606 0.461 0.000) 1.671 1.695 ( 8.567 -1.718 0.000) 8.737 1.938 ( -0.133 3.538 0.000) 3.541 1.993 ( 1.437 0.806 0.000) 1.648 2.148 ( 1.001 0.789 0.000) 1.275 2.221 ( -1.084 6.805 0.000) 6.890 2.288 ( -7.508 0.249 0.000) 7.512 2.374 ( -2.394 -9.358 0.000) 9.660 2.390 ( -3.718 0.513 0.000) 3.754 2.492 ( 3.814 4.239 0.000) 5.702 2.594 ( -0.337 -8.216 0.000) 8.223 2.604 ( 5.970 0.367 0.000) 5.981 2.718 ( -1.454 -0.280 0.000) 1.481 2.746 ( -5.473 1.093 0.000) 5.581 2.767 ( -2.883 0.188 0.000) 2.889 2.980 ( -1.928 -1.966 0.000) 2.754 3.009 ( -4.087 2.680 0.000) 4.887 3.634 ( 1.772 -0.463 0.000) 1.832 3.716 ( -15.016 -0.220 0.000) 15.017 3.953 ( 0.508 -0.417 0.000) 0.657 4.232 ( 11.932 -1.526 0.000) 12.030 4.276 ( -1.581 0.366 0.000) 1.623 4.295 ( 2.603 0.273 0.000) 2.617 7.040 ( 8.242 -0.226 0.000) 8.245 7.409 ( 13.319 -0.007 0.000) 13.319 7.924 ( 17.133 0.263 0.000) 17.135 7.934 ( -5.689 0.212 0.000) 5.692 8.170 ( 0.478 -0.433 0.000) 0.645 8.190 ( -4.819 0.356 0.000) 4.832 8.400 ( 19.050 2.127 0.000) 19.168 8.958 ( 23.235 0.925 0.000) 23.254 8.992 ( 4.258 -2.599 0.000) 4.989 9.828 ( 4.442 7.310 0.000) 8.553 10.123 ( 1.978 0.255 0.000) 1.994 10.289 ( -0.024 0.051 0.000) 0.057 10.385 ( 1.733 0.156 0.000) 1.740 10.393 ( -2.700 -1.022 0.000) 2.887 10.476 ( 1.270 -0.609 0.000) 1.409 10.633 ( -4.909 -1.031 0.000) 5.016 11.053 ( 15.753 0.063 0.000) 15.753 11.326 ( 10.288 10.853 0.000) 14.955 11.590 ( -1.398 4.128 0.000) 4.358 11.651 ( -0.804 -0.129 0.000) 0.815 12.847 ( 1.252 0.245 0.000) 1.276 13.036 ( -4.121 0.400 0.000) 4.140 13.403 ( 6.750 16.272 0.000) 17.617 13.562 ( 31.423 68.247 0.000) 75.134 13.690 ( 6.055 16.563 0.000) 17.635 14.832 ( -14.497 -23.938 0.000) 27.986 15.101 ( -5.895 4.761 0.000) 7.578 15.221 ( -10.754 -0.462 0.000) 10.764 15.463 ( -27.035 -49.688 0.000) 56.566 15.680 ( -3.908 1.044 0.000) 4.045 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 14.050 -4.128 0.000) 14.644 0.634 ( 14.361 -5.880 0.000) 15.518 1.177 ( 6.248 -1.278 0.000) 6.377 1.347 ( 19.139 -1.763 0.000) 19.220 1.379 ( 4.323 -1.449 0.000) 4.559 1.663 ( 2.241 1.457 0.000) 2.673 1.682 ( 9.797 0.311 0.000) 9.802 1.698 ( 3.365 0.804 0.000) 3.459 1.834 ( 2.881 -2.909 0.000) 4.095 1.918 ( 0.417 0.910 0.000) 1.001 2.008 ( 0.803 -0.090 0.000) 0.808 2.150 ( -7.238 0.679 0.000) 7.270 2.166 ( 2.072 1.891 0.000) 2.805 2.177 ( 1.530 6.162 0.000) 6.349 2.299 ( -4.934 0.802 0.000) 4.999 2.381 ( -2.658 -5.535 0.000) 6.140 2.547 ( 5.383 3.961 0.000) 6.683 2.604 ( -6.786 2.654 0.000) 7.287 2.662 ( 0.369 -2.334 0.000) 2.363 2.679 ( -2.161 -0.223 0.000) 2.172 2.701 ( 3.781 0.093 0.000) 3.782 2.704 ( -2.218 -0.544 0.000) 2.284 2.874 ( -7.396 4.363 0.000) 8.587 2.945 ( -2.958 -1.127 0.000) 3.166 3.446 ( -14.886 0.024 0.000) 14.886 3.663 ( 0.108 -0.904 0.000) 0.910 3.982 ( 2.273 -1.120 0.000) 2.534 4.243 ( -1.495 0.600 0.000) 1.611 4.348 ( 4.963 1.643 0.000) 5.228 4.454 ( 9.092 -4.576 0.000) 10.179 7.251 ( 14.401 -0.458 0.000) 14.409 7.707 ( 17.682 -0.200 0.000) 17.683 7.861 ( -1.871 0.358 0.000) 1.905 8.120 ( -2.310 0.499 0.000) 2.363 8.121 ( 0.232 0.018 0.000) 0.233 8.412 ( 28.907 -0.840 0.000) 28.919 8.788 ( 25.316 2.101 0.000) 25.403 8.864 ( -7.486 -1.631 0.000) 7.661 9.711 ( 42.837 -1.657 0.000) 42.869 9.866 ( 3.521 1.378 0.000) 3.781 10.198 ( 9.674 0.998 0.000) 9.726 10.287 ( -0.144 0.059 0.000) 0.155 10.302 ( -3.959 -1.595 0.000) 4.268 10.503 ( 0.992 -0.213 0.000) 1.014 10.504 ( 7.402 -0.283 0.000) 7.407 10.570 ( -3.603 -1.709 0.000) 3.988 11.346 ( 16.574 0.746 0.000) 16.591 11.422 ( -1.504 -0.015 0.000) 1.504 11.542 ( 1.981 -3.714 0.000) 4.210 11.639 ( -0.357 -0.574 0.000) 0.676 12.872 ( 1.642 0.889 0.000) 1.867 12.929 ( -6.947 0.167 0.000) 6.949 13.382 ( 3.468 15.135 0.000) 15.527 13.511 ( -6.377 1.772 0.000) 6.618 13.787 ( 24.890 33.752 0.000) 41.937 14.737 ( -8.356 -7.437 0.000) 11.187 14.845 ( -16.386 8.071 0.000) 18.266 15.007 ( -13.857 -1.080 0.000) 13.899 15.310 ( -19.460 -21.087 0.000) 28.694 15.565 ( -7.526 1.998 0.000) 7.786 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 12.578 -3.083 0.000) 12.951 0.926 ( 13.641 -4.833 0.000) 14.472 1.283 ( -4.593 -0.343 0.000) 4.606 1.310 ( 6.989 -1.330 0.000) 7.114 1.686 ( 2.039 1.752 0.000) 2.688 1.724 ( 1.952 2.048 0.000) 2.829 1.771 ( 12.297 -0.773 0.000) 12.321 1.798 ( 1.602 1.465 0.000) 2.170 1.849 ( 0.089 -0.601 0.000) 0.608 1.936 ( 2.149 -1.859 0.000) 2.841 2.008 ( -7.792 0.886 0.000) 7.842 2.029 ( 1.081 -0.482 0.000) 1.184 2.147 ( -1.300 3.908 0.000) 4.118 2.190 ( 2.410 3.672 0.000) 4.393 2.251 ( 1.183 1.325 0.000) 1.777 2.381 ( -1.291 -2.732 0.000) 3.021 2.471 ( -4.168 2.143 0.000) 4.686 2.595 ( -5.403 -2.202 0.000) 5.835 2.606 ( 2.838 2.997 0.000) 4.127 2.620 ( -4.477 -0.661 0.000) 4.526 2.683 ( -6.671 1.753 0.000) 6.898 2.752 ( 1.505 0.211 0.000) 1.520 2.785 ( 2.706 1.358 0.000) 3.027 2.936 ( 4.723 1.500 0.000) 4.955 3.189 ( -13.498 0.195 0.000) 13.500 3.634 ( -4.096 -0.625 0.000) 4.143 4.050 ( 3.544 -2.233 0.000) 4.188 4.218 ( -0.644 0.896 0.000) 1.103 4.430 ( 5.540 2.406 0.000) 6.040 4.630 ( 5.965 -5.888 0.000) 8.382 7.535 ( 15.720 -0.045 0.000) 15.720 7.859 ( 1.673 0.086 0.000) 1.675 7.961 ( 8.285 -0.788 0.000) 8.323 8.102 ( -1.824 -0.164 0.000) 1.832 8.117 ( 2.993 0.158 0.000) 2.997 8.763 ( -5.167 -2.048 0.000) 5.558 8.988 ( 31.507 -1.652 0.000) 31.550 9.251 ( 26.936 1.935 0.000) 27.005 9.939 ( 5.377 -0.457 0.000) 5.396 10.117 ( 6.329 -0.311 0.000) 6.336 10.270 ( 0.123 -0.634 0.000) 0.646 10.283 ( -0.178 0.041 0.000) 0.183 10.504 ( -0.829 0.891 0.000) 1.217 10.524 ( -1.503 -1.944 0.000) 2.457 10.592 ( 8.863 0.728 0.000) 8.893 10.848 ( 46.126 -1.921 0.000) 46.166 11.238 ( -18.403 -7.413 0.000) 19.840 11.626 ( 15.257 1.045 0.000) 15.292 11.663 ( 2.655 -1.166 0.000) 2.900 11.720 ( 11.425 -0.667 0.000) 11.445 12.777 ( -8.155 -0.002 0.000) 8.155 12.908 ( 1.681 0.778 0.000) 1.852 13.264 ( -7.072 6.684 0.000) 9.731 13.378 ( -6.960 1.115 0.000) 7.049 14.012 ( 23.307 23.127 0.000) 32.834 14.457 ( -19.793 4.908 0.000) 20.392 14.677 ( -1.516 -1.964 0.000) 2.481 14.711 ( -18.592 2.579 0.000) 18.770 15.098 ( -17.503 -11.810 0.000) 21.115 15.385 ( -10.327 2.420 0.000) 10.607 ======================= Grid point 4 (5/93) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 5.531 -1.825 0.000) 5.824 1.195 ( 12.788 -3.494 0.000) 13.256 1.252 ( 3.625 -1.002 0.000) 3.761 1.428 ( 4.443 -1.077 0.000) 4.572 1.631 ( -7.294 2.096 0.000) 7.589 1.662 ( -8.182 3.278 0.000) 8.814 1.812 ( 4.218 0.023 0.000) 4.218 1.815 ( -0.302 0.451 0.000) 0.543 1.863 ( 0.313 -0.210 0.000) 0.377 1.895 ( -3.803 -0.125 0.000) 3.805 2.031 ( 1.796 0.115 0.000) 1.800 2.083 ( 1.738 -0.043 0.000) 1.739 2.129 ( -5.500 6.445 0.000) 8.473 2.145 ( 7.797 -0.306 0.000) 7.803 2.315 ( 5.947 1.059 0.000) 6.040 2.316 ( -5.703 0.391 0.000) 5.716 2.443 ( -1.222 -0.441 0.000) 1.299 2.529 ( -5.624 -0.517 0.000) 5.647 2.538 ( -2.067 -2.849 0.000) 3.520 2.600 ( -0.697 3.649 0.000) 3.715 2.631 ( 1.692 -1.317 0.000) 2.144 2.735 ( -1.460 -0.446 0.000) 1.527 2.822 ( 1.708 0.934 0.000) 1.946 2.967 ( -10.772 0.024 0.000) 10.772 3.090 ( 11.545 2.313 0.000) 11.774 3.531 ( -7.298 -0.348 0.000) 7.306 4.126 ( 2.458 -2.727 0.000) 3.672 4.203 ( -0.166 1.472 0.000) 1.481 4.498 ( 3.485 1.852 0.000) 3.947 4.751 ( 2.979 -4.103 0.000) 5.070 7.770 ( 10.230 1.146 0.000) 10.294 7.907 ( 3.241 -0.043 0.000) 3.242 8.009 ( -2.607 -1.385 0.000) 2.951 8.064 ( -2.397 -0.186 0.000) 2.405 8.249 ( 11.593 -0.276 0.000) 11.597 8.674 ( -7.768 -1.786 0.000) 7.971 9.481 ( 19.503 -1.503 0.000) 19.561 9.667 ( 17.983 0.583 0.000) 17.993 10.104 ( 14.715 0.647 0.000) 14.729 10.197 ( 3.688 0.492 0.000) 3.720 10.283 ( -0.008 -0.043 0.000) 0.043 10.289 ( 1.181 -0.213 0.000) 1.200 10.455 ( -3.457 1.802 0.000) 3.899 10.547 ( 3.240 -1.256 0.000) 3.475 10.666 ( 1.086 -0.063 0.000) 1.088 10.907 ( -23.650 -6.167 0.000) 24.441 11.667 ( 35.472 -0.893 0.000) 35.484 11.759 ( 6.847 -1.160 0.000) 6.945 11.880 ( 13.985 0.316 0.000) 13.989 11.893 ( 5.556 -0.673 0.000) 5.596 12.667 ( -2.100 -0.444 0.000) 2.146 12.911 ( -1.977 0.056 0.000) 1.977 13.095 ( -5.561 3.009 0.000) 6.323 13.223 ( -9.477 0.111 0.000) 9.478 14.114 ( -14.671 -0.435 0.000) 14.677 14.254 ( 19.529 16.086 0.000) 25.301 14.322 ( -19.363 5.982 0.000) 20.265 14.711 ( 0.675 -3.997 0.000) 4.053 14.890 ( -10.768 -5.866 0.000) 12.262 15.169 ( -11.457 1.952 0.000) 11.622 ======================= Grid point 5 (6/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.000 -0.000 0.000) 0.000 1.410 ( 0.000 -0.000 0.000) 0.000 1.427 ( -0.000 0.000 0.000) 0.000 1.436 ( 0.000 -0.000 0.000) 0.000 1.474 ( 0.000 -0.000 0.000) 0.000 1.477 ( -0.000 0.000 0.000) 0.000 1.810 ( 0.000 -0.000 0.000) 0.000 1.862 ( 0.000 -0.000 0.000) 0.000 1.870 ( 0.000 -0.000 0.000) 0.000 1.929 ( 0.000 -0.000 0.000) 0.000 1.969 ( -0.000 0.000 0.000) 0.000 2.043 ( 0.000 -0.000 0.000) 0.000 2.109 ( 0.000 -0.000 0.000) 0.000 2.238 ( -0.000 -0.000 0.000) 0.000 2.261 ( -0.000 -0.000 0.000) 0.000 2.406 ( 0.000 -0.000 0.000) 0.000 2.407 ( 0.000 -0.000 0.000) 0.000 2.441 ( -0.000 -0.000 0.000) 0.000 2.555 ( -0.000 0.000 0.000) 0.000 2.557 ( 0.000 -0.000 0.000) 0.000 2.694 ( -0.000 -0.000 0.000) 0.000 2.725 ( 0.000 -0.000 0.000) 0.000 2.812 ( 0.000 -0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 3.224 ( -0.000 -0.000 0.000) 0.000 3.431 ( 0.000 -0.000 0.000) 0.000 4.166 ( 0.000 -0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.522 ( -0.000 -0.000 0.000) 0.000 4.794 ( 0.000 -0.000 0.000) 0.000 7.877 ( 0.000 -0.000 0.000) 0.000 7.948 ( 0.000 -0.000 0.000) 0.000 7.958 ( -0.000 -0.000 0.000) 0.000 8.034 ( 0.000 -0.000 0.000) 0.000 8.471 ( -0.000 -0.000 0.000) 0.000 8.507 ( 0.000 -0.000 0.000) 0.000 9.659 ( 0.000 -0.000 0.000) 0.000 9.831 ( 0.000 -0.000 0.000) 0.000 10.241 ( -0.000 -0.000 0.000) 0.000 10.268 ( 0.000 -0.000 0.000) 0.000 10.333 ( -0.000 0.000 0.000) 0.000 10.354 ( 0.000 -0.000 0.000) 0.000 10.423 ( 0.000 -0.000 0.000) 0.000 10.566 ( -0.000 -0.000 0.000) 0.000 10.616 ( 0.000 -0.000 0.000) 0.000 10.651 ( -0.000 -0.000 0.000) 0.000 11.883 ( -0.000 0.000 0.000) 0.000 11.899 ( 0.000 -0.000 0.000) 0.000 11.952 ( 0.000 -0.000 0.000) 0.000 12.064 ( 0.000 -0.000 0.000) 0.000 12.776 ( -0.000 -0.000 0.000) 0.000 12.795 ( 0.000 0.000 0.000) 0.000 13.067 ( 0.000 -0.000 0.000) 0.000 13.088 ( -0.000 -0.000 0.000) 0.000 13.997 ( 0.000 -0.000 0.000) 0.000 14.061 ( 0.000 -0.000 0.000) 0.000 14.408 ( 0.000 -0.000 0.000) 0.000 14.667 ( 0.000 -0.000 0.000) 0.000 14.904 ( -0.000 -0.000 0.000) 0.000 14.996 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/93) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 15.870 -0.000 0.000) 15.870 0.592 ( 15.626 -0.000 0.000) 15.626 1.168 ( 6.546 -0.000 0.000) 6.546 1.329 ( 29.605 -0.000 0.000) 29.605 1.371 ( -5.011 0.000 0.000) 5.011 1.678 ( 2.392 -0.000 0.000) 2.392 1.683 ( 11.484 -0.000 0.000) 11.484 1.704 ( 2.415 -0.000 0.000) 2.415 1.805 ( 3.919 -0.000 0.000) 3.919 1.925 ( -1.681 0.000 0.000) 1.681 2.007 ( 1.011 -0.000 0.000) 1.011 2.155 ( -7.157 0.000 0.000) 7.157 2.182 ( 2.475 -0.000 0.000) 2.475 2.280 ( -1.523 0.000 0.000) 1.523 2.285 ( 1.165 -0.000 0.000) 1.165 2.305 ( -5.196 0.000 0.000) 5.196 2.592 ( 2.803 -0.000 0.000) 2.803 2.608 ( -1.098 0.000 0.000) 1.098 2.668 ( 1.032 -0.000 0.000) 1.032 2.677 ( -2.973 0.000 0.000) 2.973 2.678 ( -5.803 0.000 0.000) 5.803 2.703 ( 4.448 -0.000 0.000) 4.448 2.910 ( -7.788 0.000 0.000) 7.788 2.938 ( -1.715 0.000 0.000) 1.715 3.446 ( -14.773 0.000 0.000) 14.773 3.655 ( 0.193 -0.000 0.000) 0.193 3.973 ( 2.028 -0.000 0.000) 2.028 4.247 ( -1.535 0.000 0.000) 1.535 4.367 ( 5.594 -0.000 0.000) 5.594 4.411 ( 8.313 -0.000 0.000) 8.313 7.248 ( 14.453 -0.000 0.000) 14.453 7.706 ( 17.558 -0.000 0.000) 17.558 7.864 ( -1.996 0.000 0.000) 1.996 8.121 ( -0.011 0.000 0.000) 0.011 8.124 ( -2.424 0.000 0.000) 2.424 8.406 ( 28.888 -0.000 0.000) 28.888 8.805 ( 24.958 -0.000 0.000) 24.958 8.851 ( -7.469 0.000 0.000) 7.469 9.698 ( 42.810 -0.000 0.000) 42.810 9.878 ( 1.847 -0.000 0.000) 1.847 10.207 ( 10.296 -0.000 0.000) 10.296 10.288 ( -0.155 0.000 0.000) 0.155 10.289 ( -4.066 0.000 0.000) 4.066 10.502 ( 1.431 -0.000 0.000) 1.431 10.502 ( 7.312 -0.000 0.000) 7.312 10.557 ( -3.615 0.000 0.000) 3.615 11.351 ( 16.722 -0.000 0.000) 16.722 11.422 ( -13.160 0.000 0.000) 13.160 11.512 ( 10.195 -0.000 0.000) 10.195 11.635 ( -0.478 0.000 0.000) 0.478 12.879 ( 2.164 -0.000 0.000) 2.164 12.930 ( -7.597 0.000 0.000) 7.597 13.454 ( -0.043 0.000 0.000) 0.043 13.527 ( -9.639 0.000 0.000) 9.639 14.416 ( 7.463 -0.000 0.000) 7.463 14.417 ( 0.224 -0.000 0.000) 0.224 14.926 ( -20.202 0.000 0.000) 20.202 14.980 ( -10.653 0.000 0.000) 10.653 15.103 ( -10.074 0.000 0.000) 10.074 15.580 ( -7.547 0.000 0.000) 7.547 ======================= Grid point 13 (8/93) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 13.806 -0.720 0.000) 13.825 0.874 ( 15.095 -1.845 0.000) 15.207 1.279 ( -4.759 -0.133 0.000) 4.760 1.296 ( 7.179 -0.440 0.000) 7.192 1.707 ( 2.138 0.866 0.000) 2.307 1.745 ( 2.286 0.692 0.000) 2.388 1.761 ( 14.443 -0.409 0.000) 14.449 1.812 ( 1.748 0.429 0.000) 1.800 1.842 ( 0.519 -0.376 0.000) 0.641 1.913 ( 2.202 -0.854 0.000) 2.362 2.019 ( -8.275 0.407 0.000) 8.285 2.021 ( 0.417 -0.360 0.000) 0.551 2.205 ( -4.077 2.976 0.000) 5.047 2.234 ( 3.762 1.969 0.000) 4.246 2.260 ( 1.271 -0.169 0.000) 1.282 2.336 ( 1.295 -2.481 0.000) 2.799 2.504 ( -4.856 2.030 0.000) 5.263 2.556 ( -6.370 -2.342 0.000) 6.787 2.611 ( -4.488 -0.347 0.000) 4.501 2.644 ( 2.218 1.615 0.000) 2.743 2.703 ( -7.318 0.704 0.000) 7.352 2.749 ( 0.984 -0.434 0.000) 1.075 2.805 ( 0.927 0.936 0.000) 1.317 2.962 ( 6.958 1.251 0.000) 7.070 3.191 ( -13.499 0.065 0.000) 13.499 3.626 ( -3.852 -0.362 0.000) 3.869 4.025 ( 3.119 -0.934 0.000) 3.256 4.228 ( -0.450 0.351 0.000) 0.571 4.474 ( 6.624 3.336 0.000) 7.417 4.547 ( 5.495 -4.842 0.000) 7.324 7.534 ( 16.352 -0.020 0.000) 16.352 7.860 ( 1.499 0.049 0.000) 1.500 7.952 ( 7.893 -0.317 0.000) 7.899 8.099 ( -1.908 -0.116 0.000) 1.911 8.119 ( 2.637 0.084 0.000) 2.639 8.741 ( -4.982 -0.785 0.000) 5.044 8.971 ( 31.272 -0.636 0.000) 31.279 9.274 ( 26.583 0.919 0.000) 26.598 9.934 ( 5.045 -0.159 0.000) 5.048 10.113 ( 7.224 -0.158 0.000) 7.226 10.263 ( 0.962 -0.217 0.000) 0.986 10.284 ( -0.203 0.023 0.000) 0.204 10.504 ( -1.859 -0.657 0.000) 1.972 10.514 ( -0.251 0.357 0.000) 0.436 10.599 ( 7.779 0.232 0.000) 7.783 10.827 ( 47.199 -0.759 0.000) 47.205 11.156 ( -17.739 -3.016 0.000) 17.993 11.637 ( 14.949 0.368 0.000) 14.953 11.651 ( 2.564 -0.407 0.000) 2.596 11.713 ( 11.337 -0.254 0.000) 11.340 12.777 ( -8.683 0.034 0.000) 8.683 12.916 ( 1.636 0.269 0.000) 1.658 13.324 ( -11.318 1.675 0.000) 11.441 13.393 ( -6.649 0.633 0.000) 6.679 14.364 ( 12.785 20.735 0.000) 24.360 14.514 ( -23.325 2.165 0.000) 23.426 14.619 ( 3.173 -7.087 0.000) 7.765 14.735 ( -16.439 0.710 0.000) 16.454 14.922 ( -14.283 -8.968 0.000) 16.865 15.412 ( -10.549 0.983 0.000) 10.595 ======================= Grid point 14 (9/93) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 7.200 -0.690 0.000) 7.233 1.152 ( 14.069 -2.090 0.000) 14.223 1.241 ( 2.709 -0.505 0.000) 2.755 1.415 ( 5.091 -0.557 0.000) 5.121 1.658 ( -6.921 1.396 0.000) 7.061 1.713 ( -8.290 3.108 0.000) 8.853 1.804 ( 2.224 -0.996 0.000) 2.437 1.823 ( -0.601 0.539 0.000) 0.808 1.856 ( 0.273 -0.580 0.000) 0.641 1.893 ( -4.121 -0.158 0.000) 4.124 2.030 ( 0.916 -0.241 0.000) 0.947 2.084 ( 7.172 0.047 0.000) 7.172 2.149 ( 3.506 0.690 0.000) 3.573 2.212 ( -6.271 4.167 0.000) 7.529 2.318 ( -5.272 -0.054 0.000) 5.273 2.328 ( 5.613 0.549 0.000) 5.640 2.440 ( -1.278 0.173 0.000) 1.290 2.490 ( -3.080 -3.145 0.000) 4.402 2.521 ( -5.849 -0.530 0.000) 5.873 2.616 ( 1.209 -0.695 0.000) 1.394 2.652 ( -0.156 3.099 0.000) 3.103 2.723 ( -1.933 -1.210 0.000) 2.281 2.835 ( 1.799 0.745 0.000) 1.947 2.967 ( -11.116 0.024 0.000) 11.116 3.133 ( 11.621 2.794 0.000) 11.952 3.522 ( -7.853 -0.736 0.000) 7.888 4.088 ( 2.474 -1.978 0.000) 3.167 4.223 ( 0.414 1.076 0.000) 1.153 4.531 ( 2.263 2.461 0.000) 3.343 4.687 ( 5.750 -4.006 0.000) 7.008 7.787 ( 11.093 0.948 0.000) 11.134 7.908 ( 3.493 0.104 0.000) 3.495 7.989 ( -2.932 -1.048 0.000) 3.113 8.059 ( -2.720 -0.405 0.000) 2.750 8.246 ( 11.682 -0.176 0.000) 11.683 8.652 ( -7.159 -1.135 0.000) 7.248 9.464 ( 21.057 -0.727 0.000) 21.070 9.674 ( 15.630 0.348 0.000) 15.634 10.113 ( 16.958 0.519 0.000) 16.966 10.203 ( 4.033 0.333 0.000) 4.047 10.282 ( -0.415 -0.066 0.000) 0.420 10.287 ( 0.819 -0.087 0.000) 0.824 10.478 ( -3.223 1.122 0.000) 3.413 10.532 ( 4.691 -0.663 0.000) 4.738 10.665 ( 0.664 -0.147 0.000) 0.680 10.827 ( -21.770 -4.062 0.000) 22.146 11.657 ( 37.271 -0.432 0.000) 37.274 11.744 ( 7.179 -0.734 0.000) 7.217 11.881 ( 12.554 -0.036 0.000) 12.554 11.884 ( 5.944 -0.442 0.000) 5.960 12.662 ( -1.896 -0.248 0.000) 1.912 12.912 ( -2.980 0.010 0.000) 2.980 13.132 ( -6.957 1.789 0.000) 7.184 13.228 ( -10.305 0.384 0.000) 10.313 14.109 ( -19.026 -0.238 0.000) 19.027 14.398 ( -17.862 3.722 0.000) 18.245 14.478 ( 10.005 12.739 0.000) 16.198 14.646 ( -5.778 -3.754 0.000) 6.891 14.806 ( 0.101 -5.439 0.000) 5.440 15.196 ( -12.089 1.445 0.000) 12.175 ======================= Grid point 15 (10/93) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.992 0.144 0.000) 1.002 1.399 ( 10.285 -1.011 0.000) 10.334 1.403 ( 11.131 -1.464 0.000) 11.227 1.466 ( -11.405 2.083 0.000) 11.594 1.472 ( 1.000 0.013 0.000) 1.000 1.500 ( -9.918 2.148 0.000) 10.148 1.811 ( -0.362 0.071 0.000) 0.369 1.862 ( 0.130 -0.026 0.000) 0.133 1.866 ( 0.135 -0.454 0.000) 0.473 1.891 ( 5.177 -3.101 0.000) 6.035 2.002 ( -11.588 2.519 0.000) 11.859 2.043 ( 0.334 -0.092 0.000) 0.346 2.122 ( -0.409 1.683 0.000) 1.732 2.229 ( -1.078 -1.180 0.000) 1.598 2.262 ( 1.535 0.230 0.000) 1.552 2.401 ( -3.948 -0.699 0.000) 4.010 2.409 ( 0.199 0.368 0.000) 0.418 2.443 ( 3.334 0.258 0.000) 3.343 2.497 ( 0.265 -3.815 0.000) 3.824 2.603 ( -1.898 2.453 0.000) 3.102 2.700 ( 3.611 0.697 0.000) 3.677 2.722 ( 0.521 -0.364 0.000) 0.636 2.805 ( -4.335 -0.761 0.000) 4.401 2.862 ( 1.642 0.519 0.000) 1.722 3.249 ( -1.785 3.043 0.000) 3.528 3.417 ( 0.485 -1.902 0.000) 1.963 4.137 ( 1.102 -2.171 0.000) 2.434 4.218 ( 0.033 2.050 0.000) 2.050 4.525 ( -1.563 0.337 0.000) 1.599 4.790 ( 3.454 -0.369 0.000) 3.474 7.879 ( -3.677 0.242 0.000) 3.685 7.955 ( 0.418 0.885 0.000) 0.979 7.957 ( 3.807 -0.067 0.000) 3.808 8.025 ( -0.311 -1.171 0.000) 1.212 8.471 ( -5.983 0.046 0.000) 5.983 8.505 ( 8.040 -0.174 0.000) 8.042 9.672 ( 1.896 1.670 0.000) 2.527 9.816 ( 0.010 -1.813 0.000) 1.813 10.241 ( -1.936 -0.043 0.000) 1.937 10.268 ( 1.506 0.051 0.000) 1.507 10.322 ( 1.204 -0.846 0.000) 1.472 10.366 ( -3.821 1.033 0.000) 3.958 10.418 ( -12.654 -0.531 0.000) 12.665 10.572 ( 17.722 0.747 0.000) 17.738 10.619 ( 0.003 0.359 0.000) 0.359 10.647 ( 0.856 -0.420 0.000) 0.953 11.882 ( 4.043 -0.127 0.000) 4.045 11.899 ( -2.355 -0.087 0.000) 2.357 11.962 ( 0.120 1.236 0.000) 1.242 12.054 ( 0.227 -1.286 0.000) 1.306 12.774 ( -8.848 -0.259 0.000) 8.852 12.798 ( 10.301 0.292 0.000) 10.305 13.061 ( -6.004 -0.482 0.000) 6.023 13.100 ( 4.027 1.173 0.000) 4.195 13.932 ( 0.276 -4.985 0.000) 4.993 14.126 ( -5.893 4.906 0.000) 7.668 14.324 ( -19.254 -7.856 0.000) 20.796 14.741 ( 13.410 6.638 0.000) 14.963 14.905 ( 1.360 0.122 0.000) 1.365 15.000 ( -2.914 0.511 0.000) 2.959 ======================= Grid point 16 (11/93) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -1.860 2.599 0.000) 3.196 1.251 ( -11.430 3.668 0.000) 12.004 1.271 ( -5.590 1.435 0.000) 5.772 1.446 ( -3.372 1.303 0.000) 3.615 1.599 ( 7.752 -1.898 0.000) 7.981 1.619 ( 8.044 -2.246 0.000) 8.352 1.803 ( -7.469 -1.010 0.000) 7.537 1.810 ( 0.112 -0.267 0.000) 0.289 1.860 ( -0.926 -0.551 0.000) 1.078 1.896 ( 3.522 0.056 0.000) 3.522 2.025 ( -2.616 -0.639 0.000) 2.693 2.030 ( 4.852 -6.145 0.000) 7.830 2.090 ( 0.578 0.873 0.000) 1.047 2.157 ( -9.226 1.171 0.000) 9.300 2.297 ( -6.293 -1.261 0.000) 6.418 2.304 ( 5.530 -1.265 0.000) 5.673 2.452 ( 1.336 0.683 0.000) 1.500 2.535 ( 5.181 0.271 0.000) 5.188 2.545 ( 1.695 -3.214 0.000) 3.634 2.568 ( 0.214 0.776 0.000) 0.804 2.654 ( -2.273 1.555 0.000) 2.754 2.739 ( 1.245 0.097 0.000) 1.249 2.809 ( -1.144 -0.799 0.000) 1.395 2.967 ( 10.300 0.015 0.000) 10.300 3.074 ( -11.566 0.135 0.000) 11.566 3.532 ( 7.314 -0.307 0.000) 7.320 4.153 ( -1.111 0.028 0.000) 1.111 4.194 ( -0.525 1.030 0.000) 1.156 4.475 ( -4.179 -1.127 0.000) 4.329 4.806 ( -0.705 3.124 0.000) 3.203 7.755 ( -9.649 -0.852 0.000) 9.687 7.910 ( -3.331 0.287 0.000) 3.343 8.029 ( 2.496 1.203 0.000) 2.771 8.063 ( 2.477 -0.355 0.000) 2.502 8.253 ( -11.376 0.257 0.000) 11.379 8.702 ( 8.575 1.727 0.000) 8.747 9.510 ( -18.514 2.269 0.000) 18.653 9.655 ( -19.361 -1.011 0.000) 19.387 10.094 ( -12.509 -0.563 0.000) 12.521 10.189 ( -3.416 -0.460 0.000) 3.447 10.283 ( -0.247 0.035 0.000) 0.249 10.293 ( -1.720 0.317 0.000) 1.749 10.427 ( 3.689 -1.806 0.000) 4.107 10.567 ( -1.519 1.366 0.000) 2.042 10.666 ( -1.569 -0.101 0.000) 1.572 11.002 ( 25.997 5.916 0.000) 26.661 11.684 ( -34.209 1.317 0.000) 34.235 11.777 ( -6.298 1.146 0.000) 6.402 11.870 ( -14.879 -0.952 0.000) 14.909 11.903 ( -4.959 0.593 0.000) 4.995 12.675 ( 2.516 0.518 0.000) 2.569 12.910 ( 0.554 -0.164 0.000) 0.578 13.045 ( 2.587 -3.425 0.000) 4.292 13.229 ( 8.979 0.960 0.000) 9.030 14.012 ( -24.333 -15.098 0.000) 28.636 14.120 ( 10.790 0.186 0.000) 10.792 14.230 ( 19.830 -5.592 0.000) 20.603 14.754 ( -6.197 1.754 0.000) 6.440 14.981 ( 15.486 5.479 0.000) 16.426 15.146 ( 11.056 -0.714 0.000) 11.079 ======================= Grid point 17 (12/93) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -9.699 6.374 0.000) 11.606 1.011 ( -11.380 6.019 0.000) 12.874 1.288 ( 4.416 0.301 0.000) 4.427 1.337 ( -6.545 2.228 0.000) 6.914 1.660 ( -1.851 -1.534 0.000) 2.404 1.684 ( -1.967 -3.111 0.000) 3.681 1.767 ( -1.224 -2.594 0.000) 2.869 1.778 ( -8.750 0.064 0.000) 8.750 1.858 ( -0.148 0.233 0.000) 0.276 1.960 ( -2.565 1.085 0.000) 2.785 1.995 ( 6.974 -0.735 0.000) 7.013 2.024 ( -3.174 -1.267 0.000) 3.417 2.109 ( 0.695 -0.513 0.000) 0.864 2.126 ( 0.398 -4.481 0.000) 4.499 2.224 ( -1.771 -2.048 0.000) 2.707 2.407 ( 3.695 0.488 0.000) 3.727 2.443 ( 1.348 -1.480 0.000) 2.002 2.554 ( -4.080 -3.769 0.000) 5.554 2.618 ( 4.805 0.794 0.000) 4.870 2.624 ( 4.914 -0.352 0.000) 4.927 2.662 ( 3.533 -0.601 0.000) 3.583 2.749 ( -1.531 0.147 0.000) 1.538 2.770 ( -3.388 -0.650 0.000) 3.450 2.928 ( -1.787 0.498 0.000) 1.855 3.185 ( 13.437 -0.269 0.000) 13.440 3.642 ( 4.559 0.378 0.000) 4.574 4.087 ( -3.995 2.475 0.000) 4.699 4.202 ( 0.734 -1.106 0.000) 1.328 4.399 ( -5.234 -1.742 0.000) 5.516 4.717 ( -5.566 5.307 0.000) 7.691 7.535 ( -14.806 0.035 0.000) 14.806 7.858 ( -1.934 -0.074 0.000) 1.935 7.974 ( -8.843 0.905 0.000) 8.889 8.103 ( 1.772 -0.007 0.000) 1.772 8.115 ( -3.550 -0.087 0.000) 3.551 8.799 ( 5.526 2.541 0.000) 6.082 9.017 ( -31.953 2.037 0.000) 32.018 9.222 ( -27.354 -1.689 0.000) 27.406 9.947 ( -5.656 0.589 0.000) 5.686 10.121 ( -5.100 0.206 0.000) 5.105 10.281 ( 1.213 0.858 0.000) 1.486 10.283 ( 0.121 -0.015 0.000) 0.122 10.489 ( 1.853 -1.023 0.000) 2.117 10.560 ( -0.773 2.375 0.000) 2.498 10.579 ( -8.108 -0.612 0.000) 8.131 10.880 ( -44.958 2.208 0.000) 45.012 11.363 ( 19.215 8.527 0.000) 21.022 11.606 ( -15.726 -1.477 0.000) 15.795 11.685 ( -2.549 1.836 0.000) 3.141 11.732 ( -11.524 0.845 0.000) 11.555 12.779 ( 7.369 0.232 0.000) 7.373 12.893 ( -1.802 -1.163 0.000) 2.145 13.107 ( -7.703 -14.051 0.000) 16.024 13.366 ( 7.181 -0.260 0.000) 7.186 13.718 ( -19.453 -14.771 0.000) 24.426 14.379 ( 15.386 -4.988 0.000) 16.175 14.659 ( 20.708 -4.172 0.000) 21.124 14.696 ( 1.432 0.616 0.000) 1.559 15.246 ( 19.066 6.699 0.000) 20.208 15.352 ( 10.958 -0.776 0.000) 10.985 ======================= Grid point 18 (13/93) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -9.899 9.368 0.000) 13.629 0.750 ( -11.238 8.993 0.000) 14.393 1.207 ( -5.366 2.621 0.000) 5.972 1.361 ( 1.003 0.302 0.000) 1.048 1.425 ( -21.782 4.051 0.000) 22.155 1.642 ( -1.709 -1.410 0.000) 2.215 1.664 ( -3.371 -2.253 0.000) 4.055 1.687 ( -7.761 -0.502 0.000) 7.777 1.867 ( -2.535 0.710 0.000) 2.633 1.890 ( -5.775 -3.116 0.000) 6.562 2.017 ( 1.488 1.614 0.000) 2.196 2.112 ( -0.665 -2.193 0.000) 2.292 2.125 ( 0.091 -2.900 0.000) 2.902 2.140 ( 5.729 -1.131 0.000) 5.840 2.280 ( 4.778 -1.726 0.000) 5.080 2.439 ( 2.359 1.056 0.000) 2.585 2.484 ( -4.143 -3.338 0.000) 5.321 2.565 ( 7.154 -2.198 0.000) 7.484 2.681 ( -0.970 -0.018 0.000) 0.970 2.693 ( -0.241 -1.011 0.000) 1.040 2.702 ( -0.024 0.857 0.000) 0.857 2.702 ( 1.310 1.688 0.000) 2.137 2.794 ( 6.250 -5.653 0.000) 8.427 2.973 ( 5.224 2.363 0.000) 5.733 3.445 ( 15.066 -0.201 0.000) 15.068 3.678 ( -0.117 0.916 0.000) 0.924 4.004 ( -2.787 1.751 0.000) 3.292 4.230 ( 1.536 -0.964 0.000) 1.814 4.323 ( -4.366 -1.603 0.000) 4.651 4.533 ( -10.041 5.506 0.000) 11.452 7.261 ( -14.250 0.699 0.000) 14.268 7.711 ( -17.998 0.303 0.000) 18.000 7.855 ( 1.669 -0.392 0.000) 1.714 8.110 ( 2.033 -0.688 0.000) 2.146 8.120 ( -0.899 -0.226 0.000) 0.927 8.430 ( -28.911 1.385 0.000) 28.945 8.751 ( -25.950 -2.471 0.000) 26.067 8.898 ( 7.590 2.738 0.000) 8.069 9.744 ( -43.024 2.476 0.000) 43.095 9.844 ( -6.905 -1.372 0.000) 7.040 10.180 ( -8.875 -1.272 0.000) 8.965 10.286 ( 0.103 -0.084 0.000) 0.133 10.331 ( 4.408 2.010 0.000) 4.844 10.508 ( 0.184 0.508 0.000) 0.540 10.510 ( -7.688 0.450 0.000) 7.701 10.607 ( 3.720 3.105 0.000) 4.845 11.330 ( -16.130 -1.286 0.000) 16.181 11.424 ( -12.513 0.170 0.000) 12.514 11.610 ( 3.417 4.442 0.000) 5.604 11.655 ( -0.161 1.940 0.000) 1.946 12.856 ( -1.042 -1.175 0.000) 1.570 12.919 ( -31.110 -35.018 0.000) 46.841 12.924 ( 5.967 -0.546 0.000) 5.992 13.488 ( 1.566 -1.204 0.000) 1.975 13.575 ( -2.002 -3.701 0.000) 4.208 14.707 ( 13.880 -9.628 0.000) 16.892 14.784 ( 7.787 0.696 0.000) 7.818 15.001 ( 14.759 -1.658 0.000) 14.852 15.519 ( 8.800 -2.833 0.000) 9.245 15.590 ( 25.079 13.775 0.000) 28.613 ======================= Grid point 19 (14/93) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -9.425 12.622 0.000) 15.753 0.478 ( -9.576 12.574 0.000) 15.805 0.859 ( -29.494 10.588 0.000) 31.336 1.113 ( -2.425 3.545 0.000) 4.295 1.434 ( 3.049 -1.358 0.000) 3.337 1.493 ( -9.618 1.994 0.000) 9.823 1.635 ( -0.534 -0.537 0.000) 0.757 1.650 ( -1.514 -1.557 0.000) 2.172 1.687 ( -12.093 -3.438 0.000) 12.572 1.896 ( -0.151 -0.274 0.000) 0.313 1.990 ( -2.884 0.546 0.000) 2.935 2.124 ( -0.842 -2.297 0.000) 2.447 2.170 ( 5.477 -1.454 0.000) 5.666 2.281 ( 7.517 -0.651 0.000) 7.545 2.376 ( 3.827 -1.348 0.000) 4.057 2.407 ( -4.953 -2.999 0.000) 5.790 2.504 ( 3.255 4.236 0.000) 5.342 2.595 ( -6.146 -0.840 0.000) 6.203 2.670 ( 3.559 0.311 0.000) 3.573 2.725 ( 1.366 0.603 0.000) 1.493 2.744 ( 8.765 1.630 0.000) 8.916 2.755 ( 2.963 -1.472 0.000) 3.308 2.938 ( 3.942 -6.190 0.000) 7.339 3.031 ( 3.517 4.307 0.000) 5.560 3.641 ( -2.618 0.181 0.000) 2.625 3.720 ( 15.271 0.202 0.000) 15.272 3.966 ( -0.544 1.238 0.000) 1.352 4.263 ( -6.607 1.012 0.000) 6.684 4.269 ( 1.999 -0.431 0.000) 2.045 4.298 ( -8.525 1.921 0.000) 8.739 7.047 ( -8.331 0.586 0.000) 8.352 7.409 ( -13.407 0.016 0.000) 13.407 7.917 ( -15.873 -0.708 0.000) 15.889 7.930 ( 4.747 -0.282 0.000) 4.755 8.180 ( 4.776 -0.819 0.000) 4.846 8.182 ( -0.856 1.030 0.000) 1.339 8.353 ( -20.292 -3.368 0.000) 20.569 8.956 ( -20.095 0.787 0.000) 20.110 9.040 ( -7.467 3.482 0.000) 8.239 9.668 ( -21.940 -11.060 0.000) 24.570 10.117 ( -1.766 -0.555 0.000) 1.851 10.288 ( -0.017 -0.144 0.000) 0.144 10.385 ( -3.465 0.121 0.000) 3.467 10.416 ( 3.796 1.782 0.000) 4.194 10.494 ( -0.590 1.695 0.000) 1.795 10.663 ( 5.338 2.879 0.000) 6.065 11.052 ( -15.071 -0.069 0.000) 15.071 11.064 ( -37.274 -17.067 0.000) 40.995 11.545 ( -8.548 -1.338 0.000) 8.652 11.657 ( 0.792 0.602 0.000) 0.994 12.621 ( -27.301 -28.416 0.000) 39.405 12.840 ( -1.049 -0.629 0.000) 1.223 13.024 ( 3.831 -1.129 0.000) 3.993 13.434 ( -3.673 -0.394 0.000) 3.694 13.658 ( 4.307 -1.011 0.000) 4.424 14.921 ( 6.849 0.116 0.000) 6.850 14.982 ( 7.357 -10.271 0.000) 12.634 15.219 ( 8.561 -0.957 0.000) 8.614 15.650 ( 3.944 -2.784 0.000) 4.828 16.013 ( 36.500 20.051 0.000) 41.645 ======================= Grid point 20 (15/93) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.229 ( 0.000 14.857 0.000) 14.857 0.256 ( 0.000 16.747 0.000) 16.747 0.356 ( 0.000 23.237 0.000) 23.237 1.063 ( 0.000 3.553 0.000) 3.553 1.377 ( 0.000 1.902 0.000) 1.902 1.509 ( -0.000 -1.611 0.000) 1.611 1.540 ( -0.000 -3.798 0.000) 3.798 1.639 ( 0.000 0.666 0.000) 0.666 1.644 ( -0.000 -0.910 0.000) 0.910 1.856 ( 0.000 2.846 0.000) 2.846 1.960 ( -0.000 -0.411 0.000) 0.411 2.131 ( -0.000 -1.466 0.000) 1.466 2.310 ( 0.000 -1.980 0.000) 1.980 2.310 ( 0.000 -0.899 0.000) 0.899 2.377 ( -0.000 -0.774 0.000) 0.774 2.425 ( -0.000 -0.304 0.000) 0.304 2.500 ( 0.000 3.248 0.000) 3.248 2.517 ( -0.000 -1.066 0.000) 1.066 2.734 ( 0.000 0.439 0.000) 0.439 2.753 ( -0.000 -0.004 0.000) 0.004 2.759 ( -0.000 -3.562 0.000) 3.562 2.980 ( -0.000 -2.749 0.000) 2.749 3.016 ( -0.000 -4.895 0.000) 4.895 3.035 ( 0.000 4.246 0.000) 4.246 3.609 ( -0.000 -0.621 0.000) 0.621 3.945 ( -0.000 -0.638 0.000) 0.638 3.955 ( 0.000 0.822 0.000) 0.822 4.047 ( 0.000 3.852 0.000) 3.852 4.269 ( -0.000 -0.887 0.000) 0.887 4.296 ( 0.000 0.234 0.000) 0.234 6.967 ( 0.000 0.357 0.000) 0.357 7.282 ( -0.000 -0.037 0.000) 0.037 7.755 ( -0.000 -0.546 0.000) 0.546 8.038 ( -0.000 -0.134 0.000) 0.134 8.095 ( -0.000 -0.274 0.000) 0.274 8.184 ( 0.000 0.436 0.000) 0.436 8.256 ( -0.000 -0.712 0.000) 0.712 8.633 ( 0.000 0.935 0.000) 0.935 9.053 ( 0.000 2.235 0.000) 2.235 9.058 ( 0.000 0.536 0.000) 0.536 10.105 ( -0.000 -0.330 0.000) 0.330 10.288 ( -0.000 -0.137 0.000) 0.137 10.341 ( 0.000 0.080 0.000) 0.080 10.459 ( 0.000 0.858 0.000) 0.858 10.473 ( 0.000 1.637 0.000) 1.637 10.528 ( 0.000 0.252 0.000) 0.252 10.747 ( 0.000 3.037 0.000) 3.037 10.846 ( -0.000 -0.216 0.000) 0.216 11.448 ( 0.000 0.167 0.000) 0.167 11.661 ( 0.000 0.449 0.000) 0.449 12.427 ( -0.000 -1.162 0.000) 1.162 12.833 ( -0.000 -0.336 0.000) 0.336 13.068 ( -0.000 -0.955 0.000) 0.955 13.401 ( -0.000 -0.077 0.000) 0.077 13.705 ( -0.000 -0.778 0.000) 0.778 14.996 ( -0.000 -1.049 0.000) 1.049 15.112 ( -0.000 -7.008 0.000) 7.008 15.312 ( -0.000 -1.624 0.000) 1.624 15.704 ( -0.000 -1.976 0.000) 1.976 16.478 ( 0.000 0.093 0.000) 0.093 ======================= Grid point 23 (16/93) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 7.583 -0.000 0.000) 7.583 1.136 ( 14.582 -0.000 0.000) 14.582 1.237 ( 2.473 -0.000 0.000) 2.473 1.411 ( 5.305 -0.000 0.000) 5.305 1.669 ( -6.770 0.000 0.000) 6.770 1.742 ( -9.411 0.000 0.000) 9.411 1.791 ( 2.643 -0.000 0.000) 2.643 1.829 ( -0.918 0.000 0.000) 0.918 1.850 ( 0.475 -0.000 0.000) 0.475 1.891 ( -4.223 0.000 0.000) 4.223 2.027 ( 0.671 -0.000 0.000) 0.671 2.084 ( 9.686 -0.000 0.000) 9.686 2.156 ( 1.355 -0.000 0.000) 1.355 2.245 ( -6.644 0.000 0.000) 6.644 2.317 ( -4.640 0.000 0.000) 4.640 2.332 ( 5.521 -0.000 0.000) 5.521 2.449 ( -2.361 0.000 0.000) 2.361 2.456 ( -2.661 0.000 0.000) 2.661 2.516 ( -5.844 0.000 0.000) 5.844 2.610 ( 0.945 -0.000 0.000) 0.945 2.686 ( 1.842 -0.000 0.000) 1.842 2.704 ( -3.980 0.000 0.000) 3.980 2.841 ( 1.741 -0.000 0.000) 1.741 2.967 ( -11.246 0.000 0.000) 11.246 3.158 ( 11.801 -0.000 0.000) 11.801 3.515 ( -8.324 0.000 0.000) 8.324 4.073 ( 2.506 -0.000 0.000) 2.506 4.232 ( 0.632 -0.000 0.000) 0.632 4.557 ( 0.138 -0.000 0.000) 0.138 4.648 ( 8.542 -0.000 0.000) 8.542 7.795 ( 11.611 -0.000 0.000) 11.611 7.909 ( 3.682 -0.000 0.000) 3.682 7.981 ( -3.203 0.000 0.000) 3.203 8.055 ( -2.949 0.000 0.000) 2.949 8.244 ( 11.689 -0.000 0.000) 11.689 8.643 ( -6.934 0.000 0.000) 6.934 9.459 ( 21.805 -0.000 0.000) 21.805 9.677 ( 14.437 -0.000 0.000) 14.437 10.117 ( 17.974 -0.000 0.000) 17.974 10.206 ( 4.216 -0.000 0.000) 4.216 10.281 ( -0.641 0.000 0.000) 0.641 10.286 ( 0.694 -0.000 0.000) 0.694 10.487 ( -3.111 0.000 0.000) 3.111 10.527 ( 5.265 -0.000 0.000) 5.265 10.663 ( 0.491 -0.000 0.000) 0.491 10.794 ( -21.082 0.000 0.000) 21.082 11.653 ( 38.122 -0.000 0.000) 38.122 11.738 ( 7.282 -0.000 0.000) 7.282 11.880 ( 6.073 -0.000 0.000) 6.073 11.881 ( 11.855 -0.000 0.000) 11.855 12.660 ( -1.849 0.000 0.000) 1.849 12.912 ( -3.333 0.000 0.000) 3.333 13.146 ( -7.285 0.000 0.000) 7.285 13.232 ( -10.694 0.000 0.000) 10.694 14.107 ( -20.750 0.000 0.000) 20.750 14.427 ( -17.242 0.000 0.000) 17.242 14.590 ( -15.261 0.000 0.000) 15.261 14.625 ( 7.263 -0.000 0.000) 7.263 14.742 ( 10.112 -0.000 0.000) 10.112 15.208 ( -12.303 0.000 0.000) 12.303 ======================= Grid point 24 (17/93) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 1.580 0.084 0.000) 1.583 1.388 ( 12.839 -0.419 0.000) 12.846 1.388 ( 10.950 -0.501 0.000) 10.961 1.473 ( 1.414 0.028 0.000) 1.414 1.490 ( -11.336 0.898 0.000) 11.371 1.528 ( -12.277 1.187 0.000) 12.335 1.812 ( -0.627 0.070 0.000) 0.631 1.854 ( 3.815 -1.384 0.000) 4.058 1.859 ( 0.201 -0.322 0.000) 0.379 1.862 ( 0.432 -0.060 0.000) 0.436 2.029 ( -14.130 0.984 0.000) 14.164 2.041 ( 0.400 -0.075 0.000) 0.407 2.156 ( 1.188 2.442 0.000) 2.716 2.203 ( -3.931 -2.068 0.000) 4.442 2.266 ( 2.716 0.165 0.000) 2.721 2.392 ( -5.088 -0.377 0.000) 5.102 2.414 ( 0.261 0.238 0.000) 0.353 2.446 ( 4.130 0.102 0.000) 4.131 2.452 ( 0.785 -1.745 0.000) 1.913 2.629 ( -3.543 0.907 0.000) 3.657 2.711 ( 6.958 0.513 0.000) 6.977 2.716 ( 1.246 -0.287 0.000) 1.279 2.794 ( -7.489 -0.502 0.000) 7.506 2.869 ( 1.945 0.270 0.000) 1.963 3.306 ( -5.434 4.012 0.000) 6.754 3.375 ( 3.349 -3.323 0.000) 4.718 4.113 ( 1.578 -0.867 0.000) 1.800 4.240 ( 0.279 0.795 0.000) 0.842 4.530 ( -2.742 0.221 0.000) 2.751 4.785 ( 5.814 -0.240 0.000) 5.819 7.883 ( -6.389 0.167 0.000) 6.391 7.956 ( 6.600 -0.059 0.000) 6.600 7.973 ( 1.541 1.474 0.000) 2.132 8.002 ( -1.357 -1.650 0.000) 2.137 8.472 ( -10.819 0.035 0.000) 10.819 8.503 ( 14.154 -0.115 0.000) 14.155 9.703 ( 4.449 1.830 0.000) 4.811 9.784 ( -1.409 -1.918 0.000) 2.379 10.240 ( -3.047 -0.025 0.000) 3.047 10.269 ( 2.370 0.029 0.000) 2.370 10.313 ( 0.420 -0.332 0.000) 0.535 10.378 ( -4.426 0.449 0.000) 4.449 10.411 ( -18.247 -0.294 0.000) 18.249 10.583 ( 26.280 0.426 0.000) 26.283 10.627 ( -1.289 0.556 0.000) 1.404 10.639 ( 2.652 -0.593 0.000) 2.718 11.880 ( 6.428 -0.083 0.000) 6.428 11.897 ( -3.714 -0.051 0.000) 3.715 11.985 ( 0.141 1.620 0.000) 1.626 12.029 ( 0.432 -1.652 0.000) 1.708 12.771 ( -10.863 -0.120 0.000) 10.863 12.802 ( 13.246 0.141 0.000) 13.247 13.056 ( -7.455 -0.174 0.000) 7.457 13.115 ( 4.386 0.629 0.000) 4.431 13.876 ( -1.604 -1.976 0.000) 2.545 14.180 ( -7.527 1.928 0.000) 7.770 14.231 ( -23.414 -3.566 0.000) 23.684 14.815 ( 12.438 2.613 0.000) 12.709 14.907 ( 2.822 0.070 0.000) 2.823 15.009 ( -3.960 0.494 0.000) 3.991 ======================= Grid point 25 (18/93) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 2.557 1.787 0.000) 3.119 1.294 ( -7.888 1.411 0.000) 8.013 1.299 ( -10.787 2.432 0.000) 11.058 1.463 ( -2.170 0.793 0.000) 2.311 1.576 ( 8.136 -1.081 0.000) 8.208 1.596 ( 8.424 -0.810 0.000) 8.462 1.786 ( -11.145 -1.114 0.000) 11.200 1.808 ( 0.081 -0.029 0.000) 0.086 1.848 ( -2.117 -0.896 0.000) 2.299 1.897 ( 3.438 0.091 0.000) 3.440 1.954 ( 4.613 -3.742 0.000) 5.940 2.016 ( -2.961 -0.492 0.000) 3.001 2.108 ( 0.322 1.317 0.000) 1.356 2.175 ( -9.173 0.924 0.000) 9.220 2.279 ( 5.630 -1.708 0.000) 5.884 2.280 ( -6.494 -0.895 0.000) 6.556 2.461 ( 0.894 0.538 0.000) 1.044 2.504 ( 2.655 -1.996 0.000) 3.321 2.538 ( 4.862 0.096 0.000) 4.863 2.572 ( -1.010 -0.087 0.000) 1.014 2.675 ( -3.114 1.131 0.000) 3.313 2.739 ( 1.227 -0.086 0.000) 1.230 2.798 ( -0.179 -0.548 0.000) 0.577 2.967 ( 9.848 0.042 0.000) 9.848 3.087 ( -11.757 1.224 0.000) 11.821 3.524 ( 7.804 -0.514 0.000) 7.821 4.142 ( 0.797 -0.876 0.000) 1.185 4.218 ( -1.934 1.459 0.000) 2.423 4.463 ( -4.715 -0.542 0.000) 4.746 4.843 ( 0.886 1.672 0.000) 1.892 7.745 ( -9.387 -0.417 0.000) 9.397 7.915 ( -3.795 0.337 0.000) 3.810 8.043 ( 2.478 0.696 0.000) 2.574 8.055 ( 3.004 -0.516 0.000) 3.048 8.257 ( -11.136 0.148 0.000) 11.137 8.724 ( 9.280 1.041 0.000) 9.338 9.547 ( -18.996 2.502 0.000) 19.160 9.635 ( -18.797 -1.569 0.000) 18.862 10.087 ( -11.021 -0.365 0.000) 11.027 10.183 ( -3.260 -0.274 0.000) 3.272 10.284 ( -0.330 0.036 0.000) 0.332 10.298 ( -2.273 0.263 0.000) 2.288 10.404 ( 3.861 -1.128 0.000) 4.023 10.585 ( -0.168 0.867 0.000) 0.883 10.664 ( -1.933 -0.135 0.000) 1.937 11.076 ( 27.898 3.630 0.000) 28.134 11.704 ( -34.473 1.249 0.000) 34.496 11.791 ( -5.708 0.722 0.000) 5.753 11.853 ( -14.405 -1.125 0.000) 14.449 11.910 ( -4.362 0.301 0.000) 4.372 12.682 ( 3.001 0.378 0.000) 3.024 12.907 ( -0.789 -0.199 0.000) 0.814 12.998 ( -1.063 -2.443 0.000) 2.664 13.251 ( 9.496 1.645 0.000) 9.637 13.819 ( -26.581 -9.694 0.000) 28.294 14.112 ( 17.224 -1.410 0.000) 17.281 14.171 ( 10.775 -1.842 0.000) 10.931 14.770 ( -7.776 0.544 0.000) 7.795 15.033 ( 13.215 1.318 0.000) 13.281 15.157 ( 12.719 1.868 0.000) 12.856 ======================= Grid point 26 (19/93) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -5.769 7.990 0.000) 9.855 1.096 ( -9.067 4.869 0.000) 10.291 1.290 ( 4.441 -0.251 0.000) 4.448 1.376 ( -5.561 2.923 0.000) 6.283 1.634 ( -3.566 -3.340 0.000) 4.886 1.641 ( -1.672 -0.882 0.000) 1.890 1.724 ( -0.382 -2.859 0.000) 2.885 1.772 ( -7.247 -0.843 0.000) 7.296 1.846 ( 0.956 -1.784 0.000) 2.024 1.971 ( -6.200 0.695 0.000) 6.239 1.987 ( 6.316 -0.319 0.000) 6.324 2.005 ( -3.072 -0.906 0.000) 3.202 2.062 ( 3.217 -3.733 0.000) 4.928 2.121 ( 1.196 1.315 0.000) 1.777 2.195 ( -2.805 -1.677 0.000) 3.268 2.398 ( 5.858 -1.165 0.000) 5.973 2.426 ( -2.846 -0.972 0.000) 3.007 2.497 ( -4.121 -3.383 0.000) 5.331 2.613 ( 3.720 -0.799 0.000) 3.805 2.628 ( 4.681 0.706 0.000) 4.734 2.663 ( 2.092 0.443 0.000) 2.138 2.755 ( -0.332 0.383 0.000) 0.507 2.764 ( -3.333 -0.166 0.000) 3.337 2.946 ( -0.734 1.484 0.000) 1.656 3.181 ( 13.326 -0.229 0.000) 13.328 3.645 ( 5.092 0.087 0.000) 5.093 4.122 ( -3.773 2.055 0.000) 4.296 4.186 ( 0.181 -1.100 0.000) 1.115 4.377 ( -5.298 -1.189 0.000) 5.430 4.786 ( -5.059 3.602 0.000) 6.210 7.536 ( -14.012 0.012 0.000) 14.012 7.857 ( -2.210 -0.064 0.000) 2.211 7.987 ( -9.334 0.689 0.000) 9.360 8.102 ( 1.848 -0.128 0.000) 1.852 8.114 ( -4.078 0.001 0.000) 4.078 8.835 ( 5.974 2.084 0.000) 6.327 9.046 ( -32.577 1.681 0.000) 32.620 9.202 ( -27.536 -0.979 0.000) 27.553 9.956 ( -5.750 0.460 0.000) 5.768 10.123 ( -4.132 0.066 0.000) 4.133 10.283 ( 0.048 0.017 0.000) 0.051 10.294 ( 2.438 0.703 0.000) 2.537 10.475 ( 2.998 -0.773 0.000) 3.096 10.560 ( -12.665 -0.898 0.000) 12.697 10.606 ( 3.256 2.529 0.000) 4.122 10.910 ( -44.443 1.664 0.000) 44.474 11.480 ( 19.421 6.451 0.000) 20.464 11.584 ( -16.133 -1.374 0.000) 16.191 11.718 ( -1.456 2.437 0.000) 2.839 11.744 ( -11.169 0.737 0.000) 11.193 12.784 ( 6.753 0.493 0.000) 6.771 12.875 ( -2.043 -1.234 0.000) 2.387 12.875 ( -25.535 -14.795 0.000) 29.512 13.374 ( 6.499 1.279 0.000) 6.624 13.556 ( -7.695 -7.625 0.000) 10.833 14.315 ( 11.311 -3.245 0.000) 11.768 14.594 ( 22.387 -4.069 0.000) 22.754 14.699 ( 0.739 -0.045 0.000) 0.741 15.266 ( 11.938 -1.796 0.000) 12.072 15.401 ( 18.097 5.044 0.000) 18.786 ======================= Grid point 27 (20/93) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -8.118 8.963 0.000) 12.093 0.895 ( -5.399 12.735 0.000) 13.832 1.257 ( -4.087 3.938 0.000) 5.675 1.363 ( 2.765 0.073 0.000) 2.766 1.486 ( -20.433 3.598 0.000) 20.748 1.615 ( -1.966 -2.409 0.000) 3.109 1.617 ( -2.075 -3.924 0.000) 4.439 1.677 ( -6.417 -0.970 0.000) 6.490 1.810 ( -12.416 -5.480 0.000) 13.572 1.882 ( 1.751 0.539 0.000) 1.833 2.047 ( 4.387 1.354 0.000) 4.591 2.079 ( -1.448 -2.891 0.000) 3.233 2.107 ( -1.721 1.532 0.000) 2.304 2.124 ( 7.248 -0.937 0.000) 7.309 2.249 ( 5.080 -2.283 0.000) 5.570 2.386 ( -4.343 -5.484 0.000) 6.996 2.476 ( 3.468 -0.000 0.000) 3.468 2.537 ( 6.844 -1.653 0.000) 7.041 2.681 ( -3.176 -0.025 0.000) 3.176 2.685 ( 0.993 0.310 0.000) 1.040 2.706 ( 1.153 -0.379 0.000) 1.214 2.719 ( 4.248 -3.505 0.000) 5.507 2.733 ( 0.642 1.458 0.000) 1.593 3.009 ( 6.754 2.272 0.000) 7.126 3.441 ( 15.160 -0.306 0.000) 15.163 3.689 ( -0.374 0.523 0.000) 0.643 4.032 ( -3.270 1.823 0.000) 3.744 4.215 ( 1.847 -1.053 0.000) 2.126 4.300 ( -4.201 -1.477 0.000) 4.453 4.611 ( -10.571 4.589 0.000) 11.524 7.271 ( -14.035 0.644 0.000) 14.050 7.716 ( -18.371 0.281 0.000) 18.373 7.850 ( 1.566 -0.295 0.000) 1.594 8.100 ( 1.721 -0.559 0.000) 1.810 8.115 ( -1.728 -0.361 0.000) 1.766 8.452 ( -28.870 1.402 0.000) 28.904 8.719 ( -26.404 -1.691 0.000) 26.458 8.942 ( 7.866 2.908 0.000) 8.386 9.780 ( -43.480 2.120 0.000) 43.532 9.827 ( -9.825 -0.819 0.000) 9.859 10.162 ( -8.003 -1.119 0.000) 8.081 10.285 ( 0.036 -0.066 0.000) 0.075 10.359 ( 4.973 1.702 0.000) 5.256 10.516 ( -8.277 0.411 0.000) 8.287 10.518 ( 1.703 0.724 0.000) 1.851 10.659 ( 4.166 3.501 0.000) 5.442 11.309 ( -15.435 -1.380 0.000) 15.496 11.427 ( -21.081 0.267 0.000) 21.082 11.649 ( 1.870 1.179 0.000) 2.211 11.718 ( -2.376 5.744 0.000) 6.216 12.465 ( -27.128 -24.618 0.000) 36.633 12.839 ( -0.910 -0.959 0.000) 1.322 12.913 ( 5.259 -0.784 0.000) 5.317 13.473 ( 0.401 -0.778 0.000) 0.875 13.544 ( 3.553 -1.171 0.000) 3.741 14.567 ( 10.965 -8.512 0.000) 13.881 14.782 ( 6.842 -0.640 0.000) 6.872 14.965 ( 15.686 -2.747 0.000) 15.925 15.466 ( 7.873 -3.530 0.000) 8.628 15.753 ( 26.467 7.965 0.000) 27.640 ======================= Grid point 28 (21/93) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -7.848 14.477 0.000) 16.467 0.676 ( -5.996 13.034 0.000) 14.347 1.032 ( -20.083 11.650 0.000) 23.217 1.180 ( -0.691 5.148 0.000) 5.194 1.412 ( 1.582 -1.432 0.000) 2.134 1.526 ( -7.996 2.185 0.000) 8.289 1.584 ( -9.774 -6.167 0.000) 11.557 1.616 ( -1.367 -2.874 0.000) 3.183 1.648 ( -2.712 -1.047 0.000) 2.907 1.910 ( 1.645 1.246 0.000) 2.064 2.013 ( -4.205 2.453 0.000) 4.869 2.080 ( -0.777 -3.383 0.000) 3.471 2.153 ( 5.672 -1.103 0.000) 5.778 2.270 ( 7.628 -0.755 0.000) 7.665 2.351 ( 4.004 -1.901 0.000) 4.432 2.355 ( -3.446 -3.594 0.000) 4.979 2.557 ( 4.029 2.523 0.000) 4.754 2.582 ( -6.538 -0.803 0.000) 6.587 2.656 ( 2.612 -0.832 0.000) 2.741 2.720 ( 5.732 -3.013 0.000) 6.475 2.734 ( 1.288 0.550 0.000) 1.400 2.762 ( 3.846 0.392 0.000) 3.866 2.839 ( 3.572 -6.374 0.000) 7.306 3.096 ( 4.786 4.017 0.000) 6.249 3.638 ( -4.006 -0.443 0.000) 4.030 3.721 ( 15.378 -0.135 0.000) 15.379 3.989 ( -0.396 1.810 0.000) 1.853 4.253 ( -2.254 -1.331 0.000) 2.618 4.264 ( 2.844 -0.300 0.000) 2.860 4.354 ( -13.434 4.373 0.000) 14.128 7.057 ( -8.457 0.712 0.000) 8.487 7.409 ( -13.542 0.013 0.000) 13.542 7.905 ( -16.130 -0.852 0.000) 16.153 7.926 ( 5.388 -0.218 0.000) 5.393 8.167 ( 4.759 -0.821 0.000) 4.829 8.199 ( -1.477 1.190 0.000) 1.897 8.310 ( -19.885 -2.271 0.000) 20.014 8.980 ( -22.129 2.159 0.000) 22.234 9.090 ( -5.611 2.914 0.000) 6.322 9.538 ( -28.610 -5.943 0.000) 29.220 10.108 ( -1.464 -0.531 0.000) 1.558 10.285 ( -0.090 -0.177 0.000) 0.198 10.388 ( -4.220 0.236 0.000) 4.226 10.442 ( 3.682 1.586 0.000) 4.009 10.525 ( 0.473 2.309 0.000) 2.357 10.715 ( 5.505 3.706 0.000) 6.636 10.888 ( -36.730 -7.020 0.000) 37.395 11.052 ( -13.552 0.234 0.000) 13.554 11.535 ( -9.158 -0.190 0.000) 9.160 11.668 ( 0.803 0.737 0.000) 1.090 12.377 ( -2.227 -9.006 0.000) 9.277 12.829 ( -0.760 -0.753 0.000) 1.069 13.003 ( 3.318 -1.596 0.000) 3.682 13.428 ( -3.126 -0.338 0.000) 3.144 13.644 ( 4.364 -0.789 0.000) 4.435 14.810 ( 6.704 -11.886 0.000) 13.646 14.908 ( 5.340 -1.487 0.000) 5.543 15.196 ( 8.057 -1.933 0.000) 8.285 15.600 ( 4.030 -3.548 0.000) 5.369 16.197 ( 27.394 7.116 0.000) 28.303 ======================= Grid point 29 (22/93) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 0.000 13.697 0.000) 13.697 0.504 ( 0.000 15.761 0.000) 15.761 0.698 ( 0.000 21.718 0.000) 21.718 1.137 ( 0.000 5.867 0.000) 5.867 1.416 ( 0.000 3.111 0.000) 3.111 1.467 ( -0.000 -5.544 0.000) 5.544 1.478 ( -0.000 -2.237 0.000) 2.237 1.622 ( -0.000 -2.106 0.000) 2.106 1.647 ( 0.000 0.218 0.000) 0.218 1.907 ( 0.000 3.670 0.000) 3.670 1.955 ( -0.000 -0.169 0.000) 0.169 2.098 ( -0.000 -2.875 0.000) 2.875 2.259 ( -0.000 -3.527 0.000) 3.527 2.308 ( -0.000 -0.336 0.000) 0.336 2.363 ( -0.000 -1.086 0.000) 1.086 2.418 ( -0.000 -0.589 0.000) 0.589 2.496 ( -0.000 -1.694 0.000) 1.694 2.556 ( 0.000 3.944 0.000) 3.944 2.706 ( -0.000 -3.122 0.000) 3.122 2.742 ( 0.000 0.563 0.000) 0.563 2.752 ( -0.000 -0.169 0.000) 0.169 2.915 ( -0.000 -5.688 0.000) 5.688 2.923 ( -0.000 -6.836 0.000) 6.836 3.108 ( 0.000 4.875 0.000) 4.875 3.596 ( -0.000 -1.002 0.000) 1.002 3.933 ( -0.000 -1.010 0.000) 1.010 3.974 ( 0.000 1.706 0.000) 1.706 4.120 ( 0.000 5.317 0.000) 5.317 4.251 ( -0.000 -1.421 0.000) 1.421 4.300 ( 0.000 0.221 0.000) 0.221 6.974 ( 0.000 0.579 0.000) 0.579 7.281 ( -0.000 -0.062 0.000) 0.062 7.744 ( -0.000 -0.882 0.000) 0.882 8.034 ( -0.000 -0.271 0.000) 0.271 8.090 ( -0.000 -0.451 0.000) 0.451 8.193 ( 0.000 0.712 0.000) 0.712 8.243 ( -0.000 -0.901 0.000) 0.901 8.652 ( 0.000 1.509 0.000) 1.509 9.068 ( 0.000 0.851 0.000) 0.851 9.097 ( 0.000 3.344 0.000) 3.344 10.099 ( -0.000 -0.402 0.000) 0.402 10.286 ( -0.000 -0.218 0.000) 0.218 10.343 ( 0.000 0.132 0.000) 0.132 10.475 ( 0.000 1.106 0.000) 1.106 10.508 ( 0.000 2.813 0.000) 2.813 10.534 ( 0.000 0.421 0.000) 0.421 10.811 ( 0.000 5.129 0.000) 5.129 10.841 ( -0.000 -0.355 0.000) 0.355 11.452 ( 0.000 0.272 0.000) 0.272 11.670 ( 0.000 0.721 0.000) 0.721 12.400 ( -0.000 -2.322 0.000) 2.322 12.826 ( -0.000 -0.545 0.000) 0.545 13.047 ( -0.000 -1.724 0.000) 1.724 13.399 ( -0.000 -0.125 0.000) 0.125 13.691 ( -0.000 -0.969 0.000) 0.969 14.964 ( -0.000 -11.899 0.000) 11.899 14.973 ( -0.000 -1.908 0.000) 1.908 15.284 ( -0.000 -2.001 0.000) 2.001 15.663 ( -0.000 -3.263 0.000) 3.263 16.481 ( 0.000 0.446 0.000) 0.446 ======================= Grid point 34 (23/93) ======================= q-point: (-0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 4.404 -0.000 0.000) 4.404 1.306 ( -8.700 0.000 0.000) 8.700 1.319 ( -10.778 0.000 0.000) 10.778 1.469 ( -1.634 0.000 0.000) 1.634 1.568 ( 8.282 -0.000 0.000) 8.282 1.591 ( 9.050 -0.000 0.000) 9.050 1.776 ( -13.013 0.000 0.000) 13.013 1.808 ( 0.237 -0.000 0.000) 0.237 1.840 ( -2.925 0.000 0.000) 2.925 1.899 ( 3.417 -0.000 0.000) 3.417 1.924 ( 4.601 -0.000 0.000) 4.601 2.012 ( -3.059 0.000 0.000) 3.059 2.120 ( -0.206 0.000 0.000) 0.206 2.182 ( -9.236 0.000 0.000) 9.236 2.264 ( 6.058 -0.000 0.000) 6.058 2.273 ( -6.554 0.000 0.000) 6.554 2.466 ( 0.815 -0.000 0.000) 0.815 2.488 ( 2.693 -0.000 0.000) 2.693 2.539 ( 4.762 -0.000 0.000) 4.762 2.571 ( -1.161 0.000 0.000) 1.161 2.684 ( -3.645 0.000 0.000) 3.645 2.738 ( 1.207 -0.000 0.000) 1.207 2.794 ( 0.413 -0.000 0.000) 0.413 2.968 ( 9.654 -0.000 0.000) 9.654 3.098 ( -11.973 0.000 0.000) 11.973 3.520 ( 8.149 -0.000 0.000) 8.149 4.134 ( 1.217 -0.000 0.000) 1.217 4.230 ( -2.168 0.000 0.000) 2.168 4.459 ( -4.934 0.000 0.000) 4.934 4.856 ( 1.464 -0.000 0.000) 1.464 7.742 ( -9.322 0.000 0.000) 9.322 7.918 ( -4.120 0.000 0.000) 4.120 8.049 ( 2.476 -0.000 0.000) 2.476 8.051 ( 3.371 -0.000 0.000) 3.371 8.258 ( -11.032 0.000 0.000) 11.032 8.732 ( 9.564 -0.000 0.000) 9.564 9.573 ( -20.837 0.000 0.000) 20.837 9.617 ( -16.841 0.000 0.000) 16.841 10.084 ( -10.503 0.000 0.000) 10.503 10.181 ( -3.209 0.000 0.000) 3.209 10.284 ( -0.344 0.000 0.000) 0.344 10.300 ( -2.530 0.000 0.000) 2.530 10.395 ( 3.936 -0.000 0.000) 3.936 10.592 ( 0.341 -0.000 0.000) 0.341 10.663 ( -2.067 0.000 0.000) 2.067 11.105 ( 28.634 -0.000 0.000) 28.634 11.715 ( -35.320 0.000 0.000) 35.320 11.797 ( -5.434 0.000 0.000) 5.434 11.843 ( -13.501 0.000 0.000) 13.501 11.912 ( -4.103 0.000 0.000) 4.103 12.685 ( 3.228 -0.000 0.000) 3.228 12.905 ( -1.362 0.000 0.000) 1.362 12.979 ( -2.812 0.000 0.000) 2.812 13.266 ( 10.334 -0.000 0.000) 10.334 13.741 ( -27.594 0.000 0.000) 27.594 14.096 ( 23.186 -0.000 0.000) 23.186 14.161 ( 3.855 -0.000 0.000) 3.855 14.774 ( -8.111 0.000 0.000) 8.111 15.039 ( 11.689 -0.000 0.000) 11.689 15.176 ( 13.598 -0.000 0.000) 13.598 ======================= Grid point 36 (24/93) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -7.539 1.819 0.000) 7.755 1.179 ( -2.908 5.008 0.000) 5.791 1.278 ( 5.115 -1.229 0.000) 5.261 1.417 ( -3.613 1.895 0.000) 4.080 1.592 ( -6.962 -1.841 0.000) 7.201 1.632 ( -2.113 -0.320 0.000) 2.137 1.690 ( 0.806 -1.334 0.000) 1.559 1.755 ( -7.317 -1.024 0.000) 7.388 1.821 ( 0.552 -0.918 0.000) 1.071 1.983 ( -7.836 0.779 0.000) 7.875 1.985 ( 6.039 -0.034 0.000) 6.040 1.995 ( -2.294 -0.625 0.000) 2.378 2.021 ( 4.709 -1.478 0.000) 4.935 2.137 ( 1.668 0.629 0.000) 1.783 2.177 ( -3.399 -0.644 0.000) 3.459 2.383 ( 6.693 -0.609 0.000) 6.720 2.413 ( -6.991 -0.566 0.000) 7.014 2.461 ( -1.823 -1.199 0.000) 2.182 2.605 ( 2.688 -0.271 0.000) 2.701 2.638 ( 4.996 0.446 0.000) 5.016 2.669 ( 1.791 0.210 0.000) 1.804 2.757 ( 0.306 0.019 0.000) 0.307 2.763 ( -3.229 -0.010 0.000) 3.229 2.964 ( -0.768 0.763 0.000) 1.082 3.179 ( 13.237 -0.089 0.000) 13.238 3.646 ( 5.468 -0.013 0.000) 5.468 4.148 ( -2.169 1.494 0.000) 2.633 4.169 ( -1.611 -1.153 0.000) 1.981 4.364 ( -5.429 -0.440 0.000) 5.447 4.823 ( -4.757 1.268 0.000) 4.923 7.536 ( -13.579 0.002 0.000) 13.579 7.856 ( -2.404 -0.028 0.000) 2.404 7.994 ( -9.615 0.255 0.000) 9.618 8.100 ( 1.967 -0.071 0.000) 1.968 8.115 ( -4.387 0.014 0.000) 4.387 8.858 ( 6.301 0.807 0.000) 6.352 9.065 ( -33.141 0.662 0.000) 33.148 9.192 ( -27.459 -0.314 0.000) 27.461 9.961 ( -5.752 0.167 0.000) 5.754 10.124 ( -3.640 0.009 0.000) 3.640 10.283 ( -0.006 0.014 0.000) 0.015 10.301 ( 3.107 0.264 0.000) 3.118 10.467 ( 3.771 -0.284 0.000) 3.782 10.550 ( -13.350 -0.375 0.000) 13.355 10.635 ( 4.076 1.038 0.000) 4.206 10.928 ( -44.426 0.614 0.000) 44.430 11.547 ( 18.128 2.216 0.000) 18.263 11.568 ( -16.336 -0.574 0.000) 16.346 11.749 ( -9.823 0.805 0.000) 9.856 11.756 ( 0.960 1.082 0.000) 1.446 12.706 ( -35.282 -6.310 0.000) 35.842 12.791 ( 6.696 0.343 0.000) 6.704 12.859 ( -2.474 -0.626 0.000) 2.552 13.406 ( 4.927 2.868 0.000) 5.701 13.466 ( -0.724 -4.624 0.000) 4.680 14.283 ( 8.525 -1.028 0.000) 8.587 14.547 ( 23.620 -1.739 0.000) 23.684 14.698 ( 0.278 -0.096 0.000) 0.294 15.242 ( 10.429 -0.953 0.000) 10.472 15.457 ( 19.043 1.999 0.000) 19.147 ======================= Grid point 37 (25/93) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -5.525 5.813 0.000) 8.020 1.087 ( -1.572 11.684 0.000) 11.789 1.323 ( -2.990 4.590 0.000) 5.478 1.364 ( 2.986 -0.034 0.000) 2.986 1.506 ( -18.049 -2.523 0.000) 18.225 1.549 ( -1.821 -4.699 0.000) 5.039 1.586 ( -3.744 0.375 0.000) 3.762 1.659 ( -4.671 -1.178 0.000) 4.817 1.737 ( -12.476 -3.815 0.000) 13.046 1.890 ( 1.832 0.454 0.000) 1.888 2.043 ( -2.255 -1.686 0.000) 2.816 2.051 ( 4.233 -0.267 0.000) 4.242 2.113 ( 7.641 -0.462 0.000) 7.654 2.148 ( -0.361 3.232 0.000) 3.252 2.217 ( 5.319 -1.706 0.000) 5.586 2.303 ( -5.609 -4.986 0.000) 7.505 2.472 ( 3.800 -0.216 0.000) 3.806 2.514 ( 6.504 -1.258 0.000) 6.625 2.667 ( 3.589 -1.883 0.000) 4.053 2.683 ( -5.105 0.025 0.000) 5.105 2.699 ( 1.750 1.178 0.000) 2.110 2.712 ( 2.063 0.101 0.000) 2.066 2.745 ( -0.283 0.265 0.000) 0.387 3.038 ( 7.420 1.390 0.000) 7.549 3.437 ( 15.182 -0.220 0.000) 15.183 3.694 ( -0.685 0.188 0.000) 0.710 4.056 ( -3.717 1.268 0.000) 3.927 4.200 ( 2.389 -0.787 0.000) 2.516 4.281 ( -4.199 -0.930 0.000) 4.301 4.666 ( -10.819 2.539 0.000) 11.113 7.279 ( -13.840 0.369 0.000) 13.845 7.719 ( -18.660 0.163 0.000) 18.661 7.846 ( 1.547 -0.173 0.000) 1.557 8.094 ( 1.488 -0.288 0.000) 1.516 8.110 ( -2.385 -0.260 0.000) 2.400 8.469 ( -28.817 0.872 0.000) 28.830 8.700 ( -26.667 -0.774 0.000) 26.678 8.980 ( 8.239 1.905 0.000) 8.456 9.804 ( -44.049 1.083 0.000) 44.063 9.818 ( -11.582 -0.363 0.000) 11.588 10.148 ( -7.109 -0.643 0.000) 7.138 10.284 ( -0.029 -0.030 0.000) 0.042 10.380 ( 5.322 0.981 0.000) 5.412 10.521 ( -9.030 0.223 0.000) 9.033 10.528 ( 3.002 0.563 0.000) 3.054 10.705 ( 4.662 2.350 0.000) 5.221 11.291 ( -14.707 -0.896 0.000) 14.735 11.431 ( -26.093 0.227 0.000) 26.094 11.661 ( 1.417 0.537 0.000) 1.515 11.813 ( -12.660 6.764 0.000) 14.354 12.164 ( -11.919 -15.483 0.000) 19.539 12.828 ( -1.043 -0.500 0.000) 1.157 12.902 ( 4.821 -0.593 0.000) 4.857 13.464 ( -0.631 -0.358 0.000) 0.725 13.532 ( 5.973 -0.475 0.000) 5.992 14.462 ( 8.394 -4.992 0.000) 9.767 14.771 ( 6.220 -0.640 0.000) 6.253 14.927 ( 16.642 -1.957 0.000) 16.757 15.421 ( 7.815 -2.270 0.000) 8.138 15.841 ( 25.658 3.716 0.000) 25.926 ======================= Grid point 38 (26/93) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -3.744 10.580 0.000) 11.223 0.885 ( -11.213 12.638 0.000) 16.895 1.194 ( -9.764 8.731 0.000) 13.098 1.262 ( 0.318 5.321 0.000) 5.331 1.394 ( -0.869 -0.837 0.000) 1.206 1.490 ( -9.779 -5.317 0.000) 11.131 1.549 ( -4.368 -0.257 0.000) 4.376 1.568 ( -2.557 -2.312 0.000) 3.447 1.627 ( -0.764 -2.070 0.000) 2.207 1.929 ( 2.507 1.320 0.000) 2.833 2.028 ( -1.163 -3.298 0.000) 3.497 2.056 ( -5.076 3.035 0.000) 5.915 2.134 ( 4.224 -1.304 0.000) 4.421 2.260 ( 7.880 -0.426 0.000) 7.891 2.299 ( -0.994 -3.828 0.000) 3.955 2.320 ( 4.123 -2.028 0.000) 4.595 2.572 ( -7.017 -0.449 0.000) 7.031 2.575 ( 5.945 0.089 0.000) 5.945 2.645 ( 5.896 -1.916 0.000) 6.200 2.688 ( 0.195 0.286 0.000) 0.347 2.741 ( 1.273 0.313 0.000) 1.311 2.756 ( 3.004 -4.251 0.000) 5.205 2.759 ( 0.816 -0.740 0.000) 1.102 3.148 ( 5.524 2.689 0.000) 6.144 3.630 ( -5.004 -0.558 0.000) 5.035 3.717 ( 15.314 -0.264 0.000) 15.316 4.017 ( -0.074 1.692 0.000) 1.694 4.233 ( -2.038 -1.220 0.000) 2.375 4.260 ( 3.483 -0.273 0.000) 3.493 4.414 ( -13.894 3.305 0.000) 14.281 7.067 ( -8.555 0.565 0.000) 8.574 7.409 ( -13.670 0.006 0.000) 13.670 7.892 ( -16.781 -0.689 0.000) 16.795 7.923 ( 6.247 -0.183 0.000) 6.250 8.157 ( 4.789 -0.536 0.000) 4.819 8.216 ( -2.041 0.966 0.000) 2.258 8.284 ( -19.223 -1.217 0.000) 19.261 9.016 ( -26.794 2.469 0.000) 26.908 9.124 ( -1.165 1.484 0.000) 1.887 9.477 ( -28.756 -2.482 0.000) 28.863 10.101 ( -1.199 -0.338 0.000) 1.246 10.283 ( -0.167 -0.138 0.000) 0.217 10.392 ( -4.725 0.233 0.000) 4.731 10.462 ( 3.526 0.958 0.000) 3.654 10.560 ( 1.481 2.068 0.000) 2.544 10.767 ( 4.655 2.832 0.000) 5.448 10.821 ( -31.761 -2.542 0.000) 31.863 11.059 ( -11.184 0.669 0.000) 11.204 11.535 ( -9.025 0.039 0.000) 9.025 11.678 ( 0.840 0.580 0.000) 1.021 12.281 ( 5.604 -4.409 0.000) 7.131 12.818 ( -0.522 -0.586 0.000) 0.785 12.979 ( 2.722 -1.504 0.000) 3.110 13.424 ( -2.758 -0.282 0.000) 2.773 13.636 ( 4.278 -0.336 0.000) 4.291 14.643 ( 5.290 -9.387 0.000) 10.775 14.884 ( 4.625 -1.474 0.000) 4.855 15.166 ( 8.359 -1.738 0.000) 8.537 15.549 ( 4.140 -2.980 0.000) 5.101 16.271 ( 22.675 3.198 0.000) 22.899 ======================= Grid point 39 (27/93) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 0.000 11.647 0.000) 11.647 0.728 ( 0.000 13.604 0.000) 13.604 1.006 ( 0.000 18.547 0.000) 18.547 1.231 ( 0.000 6.132 0.000) 6.132 1.378 ( -0.000 -6.075 0.000) 6.075 1.445 ( -0.000 -2.056 0.000) 2.056 1.465 ( 0.000 3.172 0.000) 3.172 1.581 ( -0.000 -3.219 0.000) 3.219 1.641 ( -0.000 -1.145 0.000) 1.145 1.960 ( 0.000 0.926 0.000) 0.926 1.962 ( 0.000 3.508 0.000) 3.508 2.046 ( -0.000 -3.771 0.000) 3.771 2.206 ( -0.000 -3.374 0.000) 3.374 2.297 ( -0.000 -1.229 0.000) 1.229 2.346 ( -0.000 -1.096 0.000) 1.096 2.408 ( -0.000 -0.726 0.000) 0.726 2.470 ( -0.000 -1.608 0.000) 1.608 2.615 ( 0.000 3.725 0.000) 3.725 2.669 ( -0.000 -1.667 0.000) 1.667 2.747 ( -0.000 -0.588 0.000) 0.588 2.750 ( 0.000 0.419 0.000) 0.419 2.816 ( -0.000 -7.034 0.000) 7.034 2.825 ( -0.000 -5.786 0.000) 5.786 3.175 ( 0.000 3.808 0.000) 3.808 3.580 ( -0.000 -1.001 0.000) 1.001 3.917 ( -0.000 -0.982 0.000) 0.982 4.004 ( 0.000 2.108 0.000) 2.108 4.196 ( 0.000 4.198 0.000) 4.198 4.230 ( -0.000 -1.005 0.000) 1.005 4.302 ( 0.000 0.014 0.000) 0.014 6.983 ( 0.000 0.582 0.000) 0.582 7.280 ( -0.000 -0.065 0.000) 0.065 7.730 ( -0.000 -0.881 0.000) 0.881 8.030 ( -0.000 -0.344 0.000) 0.344 8.083 ( -0.000 -0.461 0.000) 0.461 8.204 ( 0.000 0.723 0.000) 0.723 8.231 ( -0.000 -0.656 0.000) 0.656 8.676 ( 0.000 1.505 0.000) 1.505 9.082 ( 0.000 0.831 0.000) 0.831 9.148 ( 0.000 3.076 0.000) 3.076 10.093 ( -0.000 -0.294 0.000) 0.294 10.282 ( -0.000 -0.214 0.000) 0.214 10.345 ( 0.000 0.136 0.000) 0.136 10.491 ( 0.000 0.900 0.000) 0.900 10.540 ( 0.000 0.438 0.000) 0.438 10.554 ( 0.000 3.064 0.000) 3.064 10.836 ( -0.000 -0.360 0.000) 0.360 10.893 ( 0.000 5.357 0.000) 5.357 11.456 ( 0.000 0.275 0.000) 0.275 11.681 ( 0.000 0.715 0.000) 0.715 12.359 ( -0.000 -2.931 0.000) 2.931 12.818 ( -0.000 -0.548 0.000) 0.548 13.018 ( -0.000 -2.018 0.000) 2.018 13.397 ( -0.000 -0.125 0.000) 0.125 13.679 ( -0.000 -0.626 0.000) 0.626 14.776 ( -0.000 -12.001 0.000) 12.001 14.941 ( -0.000 -2.068 0.000) 2.068 15.254 ( -0.000 -1.801 0.000) 1.801 15.611 ( -0.000 -3.364 0.000) 3.364 16.491 ( 0.000 0.759 0.000) 0.759 ======================= Grid point 46 (28/93) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -4.339 0.000 0.000) 4.339 1.196 ( 1.964 -0.000 0.000) 1.964 1.362 ( 3.729 -0.000 0.000) 3.729 1.371 ( -2.649 0.000 0.000) 2.649 1.461 ( -18.871 0.000 0.000) 18.871 1.501 ( -1.733 0.000 0.000) 1.733 1.602 ( -4.374 0.000 0.000) 4.374 1.649 ( -4.118 0.000 0.000) 4.118 1.704 ( -13.567 0.000 0.000) 13.567 1.894 ( 1.896 -0.000 0.000) 1.896 2.030 ( -2.538 0.000 0.000) 2.538 2.048 ( 3.878 -0.000 0.000) 3.878 2.110 ( 7.751 -0.000 0.000) 7.751 2.183 ( 3.223 -0.000 0.000) 3.223 2.203 ( 5.336 -0.000 0.000) 5.336 2.255 ( -8.986 0.000 0.000) 8.986 2.471 ( 3.496 -0.000 0.000) 3.496 2.503 ( 6.627 -0.000 0.000) 6.627 2.653 ( 3.128 -0.000 0.000) 3.128 2.684 ( -5.525 0.000 0.000) 5.525 2.710 ( 2.523 -0.000 0.000) 2.523 2.712 ( 2.328 -0.000 0.000) 2.328 2.746 ( -1.058 0.000 0.000) 1.058 3.049 ( 7.573 -0.000 0.000) 7.573 3.435 ( 15.182 -0.000 0.000) 15.182 3.695 ( -0.819 0.000 0.000) 0.819 4.067 ( -3.984 0.000 0.000) 3.984 4.194 ( 2.735 -0.000 0.000) 2.735 4.274 ( -4.210 0.000 0.000) 4.210 4.686 ( -10.891 0.000 0.000) 10.891 7.282 ( -13.761 0.000 0.000) 13.761 7.720 ( -18.768 0.000 0.000) 18.768 7.845 ( 1.549 -0.000 0.000) 1.549 8.092 ( 1.403 -0.000 0.000) 1.403 8.108 ( -2.633 0.000 0.000) 2.633 8.476 ( -28.793 0.000 0.000) 28.793 8.694 ( -26.760 0.000 0.000) 26.760 8.995 ( 8.424 -0.000 0.000) 8.424 9.813 ( -44.321 0.000 0.000) 44.321 9.816 ( -12.156 0.000 0.000) 12.156 10.143 ( -6.711 0.000 0.000) 6.711 10.284 ( -0.056 0.000 0.000) 0.056 10.388 ( 5.457 -0.000 0.000) 5.457 10.523 ( -9.398 0.000 0.000) 9.398 10.533 ( 3.518 -0.000 0.000) 3.518 10.724 ( 4.853 -0.000 0.000) 4.853 11.284 ( -14.377 0.000 0.000) 14.377 11.433 ( -27.846 0.000 0.000) 27.846 11.665 ( 1.360 -0.000 0.000) 1.360 11.898 ( -38.303 0.000 0.000) 38.303 12.014 ( 15.799 -0.000 0.000) 15.799 12.824 ( -1.138 0.000 0.000) 1.138 12.897 ( 4.669 -0.000 0.000) 4.669 13.462 ( -1.165 0.000 0.000) 1.165 13.529 ( 6.910 -0.000 0.000) 6.910 14.423 ( 7.359 -0.000 0.000) 7.359 14.765 ( 6.010 -0.000 0.000) 6.010 14.912 ( 17.059 -0.000 0.000) 17.059 15.403 ( 7.797 -0.000 0.000) 7.797 15.868 ( 25.252 -0.000 0.000) 25.252 ======================= Grid point 48 (29/93) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -2.273 4.493 0.000) 5.035 1.042 ( -17.875 7.113 0.000) 19.239 1.249 ( -0.346 -1.196 0.000) 1.245 1.327 ( -0.435 2.729 0.000) 2.763 1.398 ( -0.330 0.740 0.000) 0.810 1.453 ( -10.916 0.817 0.000) 10.947 1.509 ( 0.450 -2.277 0.000) 2.321 1.566 ( -4.507 0.080 0.000) 4.508 1.588 ( 0.004 -2.481 0.000) 2.481 1.947 ( 3.370 0.802 0.000) 3.465 1.990 ( -1.868 -1.416 0.000) 2.344 2.097 ( -4.249 2.059 0.000) 4.721 2.117 ( 0.943 -0.973 0.000) 1.354 2.248 ( 1.544 -2.349 0.000) 2.811 2.258 ( 8.412 0.055 0.000) 8.412 2.295 ( 3.820 -1.087 0.000) 3.971 2.568 ( -7.348 -0.122 0.000) 7.349 2.570 ( 6.583 -0.439 0.000) 6.597 2.615 ( 5.302 -1.141 0.000) 5.423 2.713 ( -0.974 2.074 0.000) 2.292 2.713 ( 2.639 -1.425 0.000) 2.999 2.741 ( -0.428 -1.556 0.000) 1.614 2.744 ( 1.225 0.099 0.000) 1.229 3.176 ( 5.865 0.950 0.000) 5.941 3.624 ( -5.474 -0.242 0.000) 5.479 3.714 ( 15.234 -0.123 0.000) 15.235 4.036 ( 0.185 0.706 0.000) 0.730 4.219 ( -1.987 -0.482 0.000) 2.045 4.256 ( 3.787 -0.134 0.000) 3.790 4.449 ( -13.983 1.204 0.000) 14.035 7.073 ( -8.602 0.213 0.000) 8.604 7.409 ( -13.745 0.001 0.000) 13.745 7.885 ( -17.134 -0.264 0.000) 17.136 7.921 ( 6.670 -0.082 0.000) 6.670 8.151 ( 4.826 -0.179 0.000) 4.829 8.226 ( -2.225 0.388 0.000) 2.258 8.272 ( -19.064 -0.399 0.000) 19.068 9.046 ( -33.166 1.206 0.000) 33.188 9.136 ( 5.068 0.271 0.000) 5.075 9.455 ( -28.190 -0.671 0.000) 28.197 10.098 ( -1.054 -0.111 0.000) 1.060 10.281 ( -0.218 -0.051 0.000) 0.224 10.395 ( -5.036 0.099 0.000) 5.036 10.471 ( 3.512 0.309 0.000) 3.526 10.583 ( 2.060 0.843 0.000) 2.226 10.796 ( 3.438 0.974 0.000) 3.573 10.798 ( -29.258 -0.641 0.000) 29.265 11.069 ( -9.092 0.433 0.000) 9.102 11.536 ( -8.913 0.033 0.000) 8.913 11.684 ( 0.881 0.217 0.000) 0.908 12.236 ( 7.774 -1.507 0.000) 7.919 12.812 ( -0.404 -0.217 0.000) 0.458 12.962 ( 2.292 -0.639 0.000) 2.379 13.420 ( -2.535 -0.111 0.000) 2.538 13.633 ( 4.197 -0.064 0.000) 4.197 14.542 ( 4.293 -3.551 0.000) 5.571 14.868 ( 4.304 -0.587 0.000) 4.344 15.147 ( 8.703 -0.683 0.000) 8.730 15.517 ( 4.221 -1.170 0.000) 4.380 16.302 ( 20.779 0.999 0.000) 20.803 ======================= Grid point 49 (30/93) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 7.857 0.000) 7.857 0.904 ( 0.000 9.033 0.000) 9.033 1.246 ( 0.000 12.569 0.000) 12.569 1.291 ( -0.000 -5.002 0.000) 5.002 1.308 ( 0.000 3.592 0.000) 3.592 1.419 ( -0.000 -1.366 0.000) 1.366 1.506 ( 0.000 2.004 0.000) 2.004 1.533 ( -0.000 -2.681 0.000) 2.681 1.612 ( -0.000 -2.458 0.000) 2.458 1.982 ( 0.000 1.797 0.000) 1.797 1.992 ( -0.000 -3.092 0.000) 3.092 2.011 ( 0.000 2.714 0.000) 2.714 2.159 ( -0.000 -2.657 0.000) 2.657 2.272 ( -0.000 -1.832 0.000) 1.832 2.331 ( -0.000 -0.833 0.000) 0.833 2.398 ( -0.000 -0.528 0.000) 0.528 2.450 ( -0.000 -0.886 0.000) 0.886 2.654 ( -0.000 -0.356 0.000) 0.356 2.666 ( 0.000 3.029 0.000) 3.029 2.717 ( -0.000 -5.391 0.000) 5.391 2.733 ( -0.000 -1.257 0.000) 1.257 2.754 ( -0.000 -0.380 0.000) 0.380 2.757 ( -0.000 -2.505 0.000) 2.505 3.220 ( 0.000 2.062 0.000) 2.062 3.568 ( -0.000 -0.618 0.000) 0.618 3.905 ( -0.000 -0.592 0.000) 0.592 4.033 ( 0.000 1.494 0.000) 1.494 4.207 ( -0.000 -0.792 0.000) 0.792 4.257 ( 0.000 2.525 0.000) 2.525 4.301 ( -0.000 -0.115 0.000) 0.115 6.991 ( 0.000 0.362 0.000) 0.362 7.279 ( -0.000 -0.042 0.000) 0.042 7.719 ( -0.000 -0.544 0.000) 0.544 8.025 ( -0.000 -0.252 0.000) 0.252 8.077 ( -0.000 -0.289 0.000) 0.289 8.213 ( 0.000 0.454 0.000) 0.454 8.224 ( -0.000 -0.306 0.000) 0.306 8.695 ( 0.000 0.928 0.000) 0.928 9.092 ( 0.000 0.504 0.000) 0.504 9.185 ( 0.000 1.792 0.000) 1.792 10.090 ( -0.000 -0.144 0.000) 0.144 10.280 ( -0.000 -0.131 0.000) 0.131 10.347 ( 0.000 0.086 0.000) 0.086 10.501 ( 0.000 0.491 0.000) 0.491 10.546 ( 0.000 0.279 0.000) 0.279 10.594 ( 0.000 2.051 0.000) 2.051 10.831 ( -0.000 -0.225 0.000) 0.225 10.962 ( 0.000 3.437 0.000) 3.437 11.460 ( 0.000 0.171 0.000) 0.171 11.690 ( 0.000 0.439 0.000) 0.439 12.319 ( -0.000 -2.150 0.000) 2.150 12.811 ( -0.000 -0.340 0.000) 0.340 12.991 ( -0.000 -1.446 0.000) 1.446 13.395 ( -0.000 -0.078 0.000) 0.078 13.673 ( -0.000 -0.229 0.000) 0.229 14.625 ( -0.000 -7.388 0.000) 7.388 14.915 ( -0.000 -1.306 0.000) 1.306 15.232 ( -0.000 -1.078 0.000) 1.078 15.568 ( -0.000 -2.144 0.000) 2.144 16.502 ( 0.000 0.601 0.000) 0.601 ======================= Grid point 59 (31/93) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 0.000 0.000 0.000) 0.000 0.978 ( 0.000 0.000 0.000) 0.000 1.248 ( 0.000 0.000 0.000) 0.000 1.333 ( 0.000 0.000 0.000) 0.000 1.355 ( 0.000 0.000 0.000) 0.000 1.405 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.522 ( 0.000 0.000 0.000) 0.000 1.585 ( 0.000 0.000 0.000) 0.000 1.966 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.668 ( -0.000 -0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.715 ( 0.000 0.000 0.000) 0.000 8.023 ( 0.000 0.000 0.000) 0.000 8.074 ( 0.000 0.000 0.000) 0.000 8.217 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 8.702 ( 0.000 0.000 0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.199 ( 0.000 0.000 0.000) 0.000 10.089 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 10.348 ( 0.000 0.000 0.000) 0.000 10.505 ( 0.000 0.000 0.000) 0.000 10.548 ( 0.000 0.000 0.000) 0.000 10.611 ( 0.000 0.000 0.000) 0.000 10.830 ( 0.000 0.000 0.000) 0.000 10.989 ( 0.000 0.000 0.000) 0.000 11.461 ( 0.000 0.000 0.000) 0.000 11.694 ( 0.000 0.000 0.000) 0.000 12.301 ( 0.000 0.000 0.000) 0.000 12.808 ( 0.000 0.000 0.000) 0.000 12.979 ( 0.000 0.000 0.000) 0.000 13.395 ( 0.000 0.000 0.000) 0.000 13.671 ( 0.000 0.000 0.000) 0.000 14.567 ( 0.000 0.000 0.000) 0.000 14.905 ( 0.000 0.000 0.000) 0.000 15.224 ( 0.000 0.000 0.000) 0.000 15.551 ( 0.000 0.000 0.000) 0.000 16.507 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 107 (32/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.302 ( 0.000 0.000 16.654) 16.654 0.346 ( 0.000 0.000 18.431) 18.431 0.708 ( 0.000 0.000 33.846) 33.846 1.046 ( 0.000 0.000 0.734) 0.734 1.164 ( 0.000 0.000 -14.917) 14.917 1.508 ( 0.000 0.000 -0.666) 0.666 1.604 ( 0.000 0.000 -1.522) 1.522 1.754 ( 0.000 0.000 12.785) 12.785 1.828 ( 0.000 0.000 7.981) 7.981 1.855 ( 0.000 0.000 2.514) 2.514 1.971 ( 0.000 0.000 0.792) 0.792 1.997 ( 0.000 0.000 -0.383) 0.383 2.249 ( 0.000 0.000 -5.918) 5.918 2.286 ( 0.000 0.000 -11.778) 11.778 2.369 ( 0.000 0.000 -6.940) 6.940 2.426 ( 0.000 0.000 -4.931) 4.931 2.511 ( 0.000 0.000 5.916) 5.916 2.561 ( 0.000 0.000 1.801) 1.801 2.577 ( 0.000 0.000 1.633) 1.633 2.722 ( 0.000 0.000 -1.805) 1.805 2.736 ( 0.000 0.000 -1.870) 1.870 2.806 ( 0.000 0.000 -0.132) 0.132 3.001 ( 0.000 0.000 1.118) 1.118 3.035 ( 0.000 0.000 -1.865) 1.865 3.642 ( 0.000 0.000 3.107) 3.107 3.915 ( 0.000 0.000 -3.749) 3.749 3.948 ( 0.000 0.000 0.462) 0.462 4.138 ( 0.000 0.000 -3.982) 3.982 4.290 ( 0.000 0.000 1.320) 1.320 4.307 ( 0.000 0.000 1.004) 1.004 7.056 ( 0.000 0.000 8.810) 8.810 7.277 ( 0.000 0.000 -0.472) 0.472 7.771 ( 0.000 0.000 2.090) 2.090 8.024 ( 0.000 0.000 -1.443) 1.443 8.044 ( 0.000 0.000 -5.684) 5.684 8.094 ( 0.000 0.000 -1.033) 1.033 8.515 ( 0.000 0.000 19.423) 19.423 8.662 ( 0.000 0.000 3.764) 3.764 8.999 ( 0.000 0.000 -5.792) 5.792 9.691 ( 0.000 0.000 -12.801) 12.801 10.100 ( 0.000 0.000 -0.787) 0.787 10.172 ( 0.000 0.000 -10.751) 10.751 10.290 ( 0.000 0.000 0.235) 0.235 10.365 ( 0.000 0.000 2.797) 2.797 10.471 ( 0.000 0.000 -5.284) 5.284 10.777 ( 0.000 0.000 -7.730) 7.730 10.820 ( 0.000 0.000 19.236) 19.236 11.460 ( 0.000 0.000 1.983) 1.983 11.607 ( 0.000 0.000 -7.709) 7.709 11.641 ( 0.000 0.000 -1.819) 1.819 12.924 ( 0.000 0.000 8.746) 8.746 13.139 ( 0.000 0.000 6.665) 6.665 13.367 ( 0.000 0.000 -3.753) 3.753 13.640 ( 0.000 0.000 -7.157) 7.157 14.089 ( 0.000 0.000 5.144) 5.144 14.415 ( 0.000 0.000 -4.140) 4.140 15.293 ( 0.000 0.000 0.153) 0.153 15.301 ( 0.000 0.000 -0.025) 0.025 15.371 ( 0.000 0.000 4.619) 4.619 15.686 ( 0.000 0.000 -3.593) 3.593 ======================= Grid point 108 (33/93) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 10.570 -1.599 13.695) 17.374 0.614 ( 15.690 -3.123 14.620) 21.672 0.920 ( 23.022 -3.813 18.529) 29.797 1.079 ( 3.822 -1.137 3.533) 5.327 1.273 ( 8.695 -0.731 -12.181) 14.984 1.504 ( 1.637 0.457 0.028) 1.700 1.591 ( -0.004 0.309 -1.977) 2.000 1.766 ( 0.731 2.025 7.760) 8.054 1.824 ( 4.152 -2.450 9.663) 10.799 1.932 ( 0.890 3.067 0.199) 3.200 1.989 ( 0.633 -0.265 -0.297) 0.748 2.023 ( 2.705 -1.699 -4.325) 5.377 2.199 ( -1.580 0.600 -3.734) 4.098 2.320 ( -1.892 0.601 -4.489) 4.908 2.360 ( -1.561 2.737 -5.146) 6.034 2.397 ( 0.757 -0.983 -4.695) 4.856 2.433 ( -5.212 -2.636 2.030) 6.183 2.540 ( 1.946 2.374 1.380) 3.365 2.633 ( 0.252 -1.972 -0.993) 2.222 2.672 ( -2.529 -0.552 -3.807) 4.604 2.739 ( -2.389 1.978 -0.422) 3.130 2.796 ( -0.284 0.636 1.324) 1.496 2.982 ( -2.681 0.025 0.409) 2.712 3.007 ( -3.202 -1.319 -0.347) 3.481 3.647 ( 0.296 0.007 1.502) 1.531 3.745 ( -14.311 0.354 0.553) 14.326 3.956 ( 0.851 -0.357 0.860) 1.262 4.187 ( 4.069 0.041 -4.300) 5.920 4.311 ( 2.524 0.343 1.862) 3.156 4.325 ( 3.525 -1.031 2.557) 4.475 7.138 ( 8.841 -0.199 9.629) 13.073 7.415 ( 13.999 0.074 -0.022) 13.999 7.910 ( 12.075 0.297 -1.475) 12.168 7.925 ( -5.162 0.318 -0.768) 5.228 8.051 ( 4.511 -0.047 -2.450) 5.134 8.325 ( 18.812 0.925 -4.882) 19.457 8.454 ( -3.924 -0.003 18.738) 19.145 9.009 ( 33.101 -0.284 4.543) 33.413 9.185 ( 4.634 -0.805 9.190) 10.323 9.686 ( 3.919 3.080 -15.755) 16.525 10.110 ( 1.184 0.173 -1.470) 1.896 10.141 ( -1.743 0.337 -11.203) 11.343 10.297 ( 0.729 0.042 0.884) 1.147 10.414 ( 5.228 -0.007 3.182) 6.120 10.530 ( 2.453 0.005 -3.530) 4.298 10.808 ( 1.420 -0.691 3.974) 4.276 10.921 ( 9.881 -0.361 2.216) 10.133 11.286 ( -4.280 6.473 -1.819) 7.970 11.557 ( -4.860 -2.821 -5.633) 7.957 11.615 ( -2.781 -0.206 -3.927) 4.816 12.943 ( 2.076 0.225 9.426) 9.655 13.098 ( -4.112 0.468 6.462) 7.674 13.394 ( 2.670 1.303 -2.582) 3.936 13.619 ( -2.704 1.628 -6.384) 7.121 13.781 ( 18.340 64.511 16.613) 69.095 14.598 ( -7.653 -20.594 -17.367) 28.005 15.177 ( -6.028 2.223 4.260) 7.709 15.276 ( -9.860 0.282 5.786) 11.436 15.371 ( -12.993 -27.405 -5.891) 30.896 15.641 ( -4.448 0.769 -4.039) 6.057 ======================= Grid point 109 (34/93) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 12.527 -1.182 8.953) 15.443 0.869 ( 11.436 -4.617 16.069) 20.256 1.166 ( 6.016 -1.019 -0.200) 6.105 1.330 ( 0.297 0.028 -3.258) 3.271 1.437 ( 22.617 -3.326 8.625) 24.433 1.603 ( 2.319 1.849 -3.287) 4.427 1.636 ( 10.880 -0.137 -3.217) 11.346 1.779 ( 1.691 0.669 5.735) 6.016 1.879 ( -1.174 -1.217 2.352) 2.896 1.931 ( 0.511 -0.903 2.134) 2.373 1.988 ( 0.010 -0.260 -1.666) 1.686 2.072 ( 3.550 3.521 -3.832) 6.300 2.185 ( -1.315 0.593 2.857) 3.201 2.252 ( -4.503 1.321 -3.641) 5.939 2.269 ( -1.994 2.309 3.570) 4.696 2.386 ( -2.458 -3.155 -0.722) 4.064 2.458 ( 2.364 0.400 -11.471) 11.718 2.567 ( -0.500 2.154 -0.660) 2.308 2.592 ( -3.546 0.422 -4.785) 5.971 2.636 ( 1.821 2.570 -1.564) 3.517 2.684 ( -3.021 -1.785 -0.662) 3.571 2.776 ( -1.583 2.473 0.838) 3.053 2.899 ( -4.090 1.098 3.043) 5.214 2.963 ( -2.909 -1.053 1.279) 3.348 3.481 ( -14.034 0.382 3.083) 14.373 3.645 ( -1.689 -0.720 -1.982) 2.702 3.989 ( 2.249 -0.977 1.209) 2.734 4.205 ( -0.645 0.326 -3.769) 3.837 4.379 ( 5.251 0.803 2.865) 6.035 4.466 ( 8.080 -3.819 0.754) 8.968 7.360 ( 14.947 -0.489 10.823) 18.461 7.726 ( 18.573 -0.077 0.911) 18.595 7.860 ( -1.363 0.373 0.100) 1.417 7.991 ( 1.441 0.392 -5.413) 5.615 8.334 ( 4.849 0.313 12.009) 12.955 8.453 ( 20.213 -0.698 7.525) 21.580 8.713 ( 24.828 1.224 -5.135) 25.383 9.101 ( -9.590 -0.785 18.399) 20.764 9.733 ( 40.428 -1.150 1.890) 40.489 9.781 ( 6.415 0.871 -10.151) 12.040 10.129 ( 1.254 0.281 -9.413) 9.500 10.156 ( 4.821 0.186 -5.003) 6.951 10.326 ( 4.188 0.150 3.341) 5.360 10.517 ( -0.952 0.582 1.745) 2.071 10.544 ( 6.769 -0.498 4.334) 8.053 10.782 ( -4.770 -2.611 15.686) 16.602 11.117 ( 12.251 0.227 -16.777) 20.775 11.349 ( 5.042 1.963 -7.951) 9.618 11.496 ( -0.383 -5.218 -7.629) 9.250 11.564 ( -2.398 -1.218 -7.929) 8.373 12.979 ( -2.027 1.243 8.830) 9.145 13.002 ( -1.827 -0.086 8.775) 8.964 13.408 ( 0.896 6.135 1.007) 6.282 13.485 ( -8.852 1.309 -3.342) 9.552 13.804 ( 22.255 34.567 3.488) 41.260 14.512 ( -8.237 -0.097 -16.340) 18.299 15.007 ( -11.562 1.702 8.762) 14.607 15.050 ( -14.757 -1.432 5.636) 15.861 15.263 ( -16.543 -16.637 -4.383) 23.868 15.519 ( -7.935 1.724 -4.869) 9.468 ======================= Grid point 110 (35/93) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 12.123 -1.077 5.613) 13.403 1.101 ( 10.335 -3.532 12.133) 16.325 1.270 ( 2.750 -0.147 -1.841) 3.313 1.319 ( 1.945 -1.904 3.700) 4.594 1.613 ( 2.363 2.618 -5.800) 6.788 1.767 ( 6.003 0.370 2.093) 6.368 1.803 ( 6.197 -0.317 1.113) 6.305 1.804 ( 1.676 1.308 2.970) 3.653 1.862 ( -0.106 -0.624 1.220) 1.374 1.936 ( 1.363 -0.913 0.081) 1.643 1.969 ( -2.471 -0.842 -0.600) 2.679 2.084 ( 0.122 3.293 -1.415) 3.587 2.116 ( -4.422 0.260 3.132) 5.425 2.182 ( -1.637 2.239 -2.753) 3.908 2.269 ( 2.406 2.159 1.202) 3.449 2.372 ( -2.891 -1.478 -1.281) 3.490 2.449 ( 1.586 3.332 -3.374) 5.000 2.486 ( -5.244 -0.708 -6.922) 8.713 2.578 ( 0.747 -0.458 -2.758) 2.894 2.638 ( -3.172 -2.236 -0.333) 3.896 2.667 ( -1.390 4.040 -1.262) 4.455 2.727 ( 1.912 1.162 0.285) 2.256 2.864 ( -0.133 0.730 4.577) 4.637 2.942 ( 2.380 1.002 0.552) 2.641 3.237 ( -12.711 0.190 4.968) 13.649 3.591 ( -4.876 -0.530 -4.532) 6.678 4.047 ( 2.863 -1.620 0.123) 3.292 4.189 ( -0.556 0.548 -2.939) 3.040 4.475 ( 5.814 1.147 4.225) 7.278 4.631 ( 6.022 -5.201 -0.199) 7.959 7.657 ( 16.656 -0.472 11.717) 20.370 7.861 ( 2.008 -0.264 0.697) 2.142 8.018 ( 10.971 -0.286 3.380) 11.483 8.026 ( 3.485 0.320 -2.952) 4.579 8.285 ( -3.000 0.420 14.094) 14.416 8.906 ( -9.915 -1.593 14.183) 17.378 9.007 ( 31.604 -1.456 2.399) 31.729 9.200 ( 27.195 1.390 -5.254) 27.733 9.893 ( 7.176 0.064 -5.471) 9.024 10.104 ( 5.158 -0.474 -1.268) 5.333 10.176 ( 4.078 0.189 -6.949) 8.059 10.258 ( 2.302 0.001 -3.499) 4.188 10.453 ( -3.897 0.491 -0.418) 3.950 10.555 ( 8.612 0.798 -4.097) 9.570 10.701 ( -4.750 -2.310 11.466) 12.624 10.875 ( 30.928 -2.123 2.648) 31.113 11.237 ( -9.188 -6.256 0.414) 11.123 11.371 ( 15.801 0.163 -17.291) 23.424 11.559 ( 2.999 -1.061 -10.615) 11.082 11.718 ( 14.127 -0.251 -6.055) 15.372 12.837 ( -9.127 0.268 6.183) 11.027 13.038 ( 0.927 0.497 10.879) 10.930 13.264 ( -8.678 4.262 -0.382) 9.675 13.377 ( -3.948 2.292 0.508) 4.593 13.985 ( 20.359 21.058 -1.879) 29.350 14.344 ( -7.851 5.623 -10.011) 13.910 14.761 ( -17.856 0.955 5.800) 18.798 14.795 ( -9.190 -0.693 9.488) 13.227 15.058 ( -16.986 -10.225 -4.077) 20.241 15.336 ( -10.580 2.091 -5.362) 12.044 ======================= Grid point 111 (36/93) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 6.039 -1.561 2.923) 6.888 1.241 ( 6.176 0.172 4.812) 7.831 1.353 ( 7.286 -2.258 3.173) 8.262 1.415 ( 5.055 -1.503 5.236) 7.432 1.601 ( -3.359 2.834 -2.616) 5.114 1.737 ( -6.465 1.880 5.840) 8.913 1.793 ( 0.071 0.339 0.006) 0.346 1.828 ( 0.007 0.340 0.572) 0.665 1.863 ( 1.026 -0.201 -0.322) 1.094 1.899 ( -2.257 -0.711 0.310) 2.387 2.031 ( -3.674 1.722 -4.794) 6.281 2.056 ( -0.281 0.183 2.618) 2.639 2.103 ( 7.615 -0.424 -2.914) 8.164 2.111 ( -3.482 2.471 -2.732) 5.069 2.254 ( -3.339 2.531 -5.461) 6.883 2.346 ( -1.453 -0.267 -1.494) 2.101 2.409 ( -1.070 -0.457 -2.547) 2.800 2.495 ( 3.124 0.660 2.900) 4.313 2.588 ( -0.447 -0.892 -0.397) 1.074 2.613 ( 0.205 0.787 2.731) 2.849 2.658 ( 2.251 -0.949 0.541) 2.502 2.713 ( -2.511 0.310 -0.089) 2.532 2.860 ( 0.427 1.005 3.135) 3.320 3.011 ( -7.126 0.615 2.898) 7.717 3.076 ( 6.925 1.372 0.285) 7.066 3.481 ( -7.460 -0.307 -5.420) 9.226 4.106 ( 2.043 -1.704 -1.521) 3.064 4.176 ( -0.305 0.872 -2.579) 2.739 4.555 ( 3.610 0.812 5.363) 6.516 4.749 ( 3.128 -3.660 -0.394) 4.831 7.892 ( 6.381 -0.227 5.094) 8.168 7.942 ( 7.589 -0.271 7.701) 10.816 8.065 ( 0.626 1.005 3.918) 4.093 8.138 ( 1.841 -0.931 10.571) 10.771 8.292 ( 6.334 -0.148 5.151) 8.166 8.724 ( -11.620 -1.329 5.761) 13.038 9.504 ( 19.797 -0.999 2.658) 20.000 9.642 ( 19.955 0.326 -2.074) 20.065 10.075 ( 14.767 1.059 -3.944) 15.321 10.176 ( 3.915 0.138 -2.258) 4.521 10.254 ( 3.839 0.360 -3.839) 5.441 10.286 ( 1.707 -0.307 -0.778) 1.901 10.388 ( -2.175 0.763 -4.031) 4.644 10.577 ( -3.318 -0.138 -7.242) 7.967 10.613 ( -5.557 -1.087 2.226) 6.085 10.858 ( -20.503 -5.358 -4.753) 21.718 11.595 ( 17.856 -0.440 -7.580) 19.403 11.658 ( 12.792 -0.441 -13.453) 18.569 11.765 ( 24.226 -1.600 0.938) 24.297 11.930 ( 9.092 -0.454 -1.332) 9.200 12.676 ( -7.309 -0.223 1.412) 7.447 12.919 ( -12.186 0.898 -2.287) 12.431 13.195 ( 2.592 1.997 10.557) 11.053 13.281 ( -4.170 0.905 5.892) 7.275 14.143 ( -5.890 1.198 1.755) 6.261 14.192 ( 10.265 13.694 -3.299) 17.429 14.424 ( -13.414 4.885 8.004) 16.367 14.729 ( -2.228 -3.522 2.587) 4.905 14.840 ( -11.137 -5.365 -5.220) 13.418 15.120 ( -11.385 1.670 -5.280) 12.661 ======================= Grid point 112 (37/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -0.000 -0.000 3.441) 3.441 1.407 ( -0.000 0.000 1.582) 1.582 1.413 ( 0.000 -0.000 -2.210) 2.210 1.469 ( 0.000 -0.000 1.224) 1.224 1.519 ( 0.000 -0.000 8.893) 8.893 1.617 ( 0.000 -0.000 10.585) 10.585 1.809 ( 0.000 -0.000 -0.285) 0.285 1.858 ( 0.000 -0.000 -1.689) 1.689 1.883 ( -0.000 -0.000 1.965) 1.965 1.900 ( 0.000 -0.000 -5.536) 5.536 1.908 ( -0.000 0.000 -1.583) 1.583 2.051 ( 0.000 -0.000 0.266) 0.266 2.091 ( 0.000 -0.000 -2.838) 2.838 2.189 ( 0.000 -0.000 -4.846) 4.846 2.222 ( -0.000 -0.000 -3.943) 3.943 2.275 ( 0.000 -0.000 -7.471) 7.471 2.435 ( 0.000 -0.000 0.617) 0.617 2.528 ( 0.000 -0.000 6.766) 6.766 2.586 ( 0.000 0.000 2.170) 2.170 2.600 ( 0.000 -0.000 3.631) 3.631 2.684 ( 0.000 -0.000 -3.007) 3.007 2.716 ( -0.000 -0.000 1.324) 1.324 2.872 ( -0.000 -0.000 5.550) 5.550 2.885 ( 0.000 0.000 3.222) 3.222 3.195 ( -0.000 -0.000 -2.952) 2.952 3.378 ( 0.000 -0.000 -5.685) 5.685 4.135 ( 0.000 -0.000 -2.419) 2.419 4.167 ( 0.000 -0.000 -2.285) 2.285 4.585 ( 0.000 -0.000 5.811) 5.811 4.792 ( 0.000 -0.000 -0.427) 0.427 7.953 ( 0.000 -0.000 0.646) 0.646 8.020 ( 0.000 -0.000 -0.099) 0.099 8.053 ( 0.000 -0.000 16.526) 16.526 8.138 ( 0.000 -0.000 17.957) 17.957 8.488 ( -0.000 -0.000 1.875) 1.875 8.510 ( 0.000 -0.000 0.425) 0.425 9.681 ( 0.000 -0.000 2.621) 2.621 9.832 ( 0.000 -0.000 0.332) 0.332 10.233 ( -0.000 -0.000 -0.866) 0.866 10.243 ( 0.000 -0.000 -2.993) 2.993 10.342 ( -0.000 0.000 -0.095) 0.095 10.350 ( 0.000 -0.000 -1.629) 1.629 10.386 ( 0.000 -0.000 -4.912) 4.912 10.485 ( -0.000 -0.000 -10.248) 10.248 10.548 ( 0.000 -0.000 -5.287) 5.287 10.590 ( -0.000 -0.000 -4.084) 4.084 11.761 ( -0.000 -0.000 -10.272) 10.272 11.778 ( 0.000 -0.000 -10.477) 10.477 11.984 ( 0.000 -0.000 3.362) 3.362 12.078 ( 0.000 -0.000 1.294) 1.294 12.689 ( -0.000 0.000 -6.372) 6.372 12.701 ( 0.000 -0.000 -7.049) 7.049 13.218 ( 0.000 -0.000 11.936) 11.936 13.245 ( 0.000 -0.000 12.083) 12.083 14.061 ( 0.000 -0.000 6.320) 6.320 14.139 ( 0.000 -0.000 7.665) 7.665 14.395 ( 0.000 -0.000 -1.100) 1.100 14.644 ( 0.000 -0.000 -2.531) 2.531 14.860 ( -0.000 -0.000 -4.271) 4.271 14.953 ( 0.000 -0.000 -4.501) 4.501 ======================= Grid point 119 (38/93) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 13.326 -0.000 9.200) 16.193 0.832 ( 12.085 -0.000 18.014) 21.692 1.158 ( 6.443 -0.000 -0.159) 6.445 1.333 ( -1.549 0.000 -3.917) 4.212 1.407 ( 25.612 -0.000 9.548) 27.333 1.618 ( 2.730 -0.000 -3.212) 4.215 1.635 ( 10.947 -0.000 -3.291) 11.431 1.786 ( 1.168 -0.000 5.722) 5.841 1.864 ( 0.511 -0.000 3.796) 3.831 1.926 ( -1.493 0.000 0.434) 1.554 1.986 ( 0.601 -0.000 -1.594) 1.704 2.105 ( 3.827 -0.000 -4.312) 5.766 2.186 ( -1.863 0.000 2.978) 3.513 2.256 ( -4.040 0.000 -4.452) 6.012 2.319 ( -2.523 0.000 2.666) 3.671 2.334 ( -2.148 0.000 2.033) 2.957 2.462 ( 3.863 -0.000 -13.033) 13.593 2.575 ( -4.043 0.000 -3.807) 5.553 2.612 ( -2.464 0.000 -1.449) 2.858 2.639 ( 1.770 -0.000 -2.540) 3.096 2.682 ( -1.694 0.000 1.301) 2.136 2.795 ( -0.761 0.000 2.528) 2.640 2.912 ( -5.276 0.000 0.934) 5.358 2.951 ( -1.619 0.000 1.201) 2.016 3.484 ( -14.250 0.000 3.249) 14.616 3.639 ( -1.604 0.000 -1.825) 2.430 3.981 ( 2.069 -0.000 1.318) 2.453 4.207 ( -0.639 0.000 -3.948) 3.999 4.388 ( 5.754 -0.000 2.017) 6.097 4.432 ( 7.206 -0.000 1.486) 7.357 7.356 ( 14.922 -0.000 10.801) 18.421 7.725 ( 18.419 -0.000 0.937) 18.443 7.863 ( -1.496 0.000 0.087) 1.498 7.994 ( 1.358 -0.000 -5.316) 5.487 8.336 ( 5.271 -0.000 11.724) 12.855 8.448 ( 19.630 -0.000 7.985) 21.192 8.723 ( 24.510 -0.000 -5.335) 25.084 9.096 ( -9.547 0.000 18.399) 20.729 9.724 ( 40.471 -0.000 2.320) 40.537 9.788 ( 5.417 -0.000 -10.430) 11.753 10.131 ( 0.917 -0.000 -9.469) 9.514 10.157 ( 5.147 -0.000 -4.566) 6.880 10.327 ( 4.333 -0.000 3.356) 5.480 10.523 ( -2.511 0.000 1.690) 3.027 10.539 ( 8.335 -0.000 4.677) 9.558 10.762 ( -4.761 0.000 15.564) 16.276 11.119 ( 12.555 -0.000 -17.299) 21.375 11.375 ( -11.826 0.000 -5.032) 12.852 11.441 ( 14.671 -0.000 -10.260) 17.903 11.557 ( -2.789 0.000 -8.372) 8.824 12.995 ( 3.371 -0.000 10.922) 11.431 12.995 ( -7.354 0.000 6.813) 10.025 13.439 ( 0.925 -0.000 -1.673) 1.911 13.496 ( -9.569 0.000 -3.774) 10.286 14.303 ( 7.468 -0.000 -8.725) 11.484 14.343 ( -2.084 0.000 -6.600) 6.921 15.019 ( -16.447 0.000 8.062) 18.316 15.027 ( -11.326 0.000 3.449) 11.840 15.110 ( -10.356 0.000 1.276) 10.434 15.533 ( -7.945 0.000 -5.073) 9.426 ======================= Grid point 120 (39/93) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 12.323 0.181 6.082) 13.743 1.061 ( 12.343 -1.544 14.708) 19.263 1.274 ( 3.701 0.706 -0.422) 3.792 1.293 ( 0.551 -1.386 1.643) 2.219 1.641 ( 2.811 0.973 -5.676) 6.408 1.775 ( 6.497 0.659 3.545) 7.430 1.792 ( 5.469 -0.846 -0.537) 5.560 1.817 ( 4.310 0.393 2.890) 5.204 1.855 ( -0.752 -0.227 0.768) 1.098 1.921 ( 3.399 -0.653 1.229) 3.673 1.963 ( -4.226 -0.084 -1.548) 4.501 2.110 ( -4.506 0.261 5.322) 6.978 2.134 ( -1.129 1.544 -3.709) 4.173 2.203 ( -1.451 0.538 -4.912) 5.150 2.300 ( 1.688 2.158 2.303) 3.579 2.340 ( -0.311 -2.399 0.267) 2.434 2.471 ( -5.557 -0.208 -4.527) 7.170 2.504 ( 1.306 2.207 -6.492) 6.980 2.574 ( 0.081 0.105 -3.200) 3.202 2.599 ( -3.254 -2.223 -0.560) 3.981 2.712 ( -6.112 1.483 0.696) 6.328 2.753 ( 3.008 1.516 0.163) 3.372 2.868 ( -0.057 0.049 4.392) 4.393 2.956 ( 4.276 0.638 -0.234) 4.330 3.239 ( -12.846 0.078 4.919) 13.756 3.584 ( -4.704 -0.314 -4.416) 6.460 4.028 ( 2.645 -0.751 0.639) 2.822 4.194 ( -0.475 0.157 -3.342) 3.380 4.501 ( 6.759 2.233 2.503) 7.546 4.559 ( 5.614 -3.906 1.022) 6.915 7.651 ( 17.005 -0.184 11.198) 20.362 7.858 ( 1.609 -0.140 0.317) 1.646 8.015 ( 11.212 -0.089 4.088) 11.935 8.029 ( 2.883 0.104 -2.950) 4.126 8.290 ( -3.067 0.181 14.616) 14.935 8.889 ( -9.941 -0.578 14.929) 17.946 8.991 ( 31.658 -0.573 2.530) 31.764 9.217 ( 26.850 0.661 -5.929) 27.505 9.894 ( 7.157 0.003 -4.748) 8.589 10.099 ( 5.739 -0.217 -1.391) 5.910 10.178 ( 4.225 0.065 -6.622) 7.856 10.258 ( 2.174 -0.000 -3.582) 4.190 10.459 ( -4.050 0.212 -0.025) 4.056 10.564 ( 8.211 0.289 -4.118) 9.191 10.678 ( -4.660 -0.713 10.508) 11.517 10.850 ( 29.841 -0.918 2.365) 29.949 11.168 ( -6.463 -2.526 2.138) 7.261 11.373 ( 15.472 0.066 -18.075) 23.793 11.549 ( 2.783 -0.341 -10.385) 10.756 11.715 ( 14.188 -0.099 -6.097) 15.443 12.840 ( -9.519 0.134 6.465) 11.508 13.043 ( 0.638 0.168 10.601) 10.622 13.302 ( -9.841 1.124 -1.775) 10.062 13.403 ( -4.558 0.929 1.032) 4.765 14.268 ( 5.458 12.599 -6.576) 15.224 14.419 ( -0.189 4.227 -9.601) 10.492 14.742 ( -13.674 -3.406 10.870) 17.797 14.792 ( -13.380 0.239 4.527) 14.127 14.914 ( -14.485 -6.510 -0.521) 15.889 15.360 ( -10.802 0.844 -5.754) 12.268 ======================= Grid point 121 (40/93) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 6.398 -0.506 3.082) 7.120 1.253 ( 7.088 1.358 7.014) 10.064 1.317 ( 7.935 -2.479 6.659) 10.652 1.396 ( 5.095 -0.940 1.639) 5.434 1.642 ( -3.160 2.210 -2.523) 4.608 1.762 ( -6.346 1.376 4.530) 7.917 1.792 ( -1.513 -0.470 0.423) 1.640 1.834 ( -0.152 0.454 0.486) 0.683 1.857 ( 0.453 -0.502 -0.061) 0.680 1.886 ( -2.016 -0.820 -0.872) 2.345 2.045 ( -3.092 0.160 -0.029) 3.096 2.069 ( 1.061 1.625 -0.919) 2.147 2.099 ( 6.586 -0.135 -3.130) 7.293 2.134 ( -5.732 0.400 -5.642) 8.053 2.287 ( -3.938 1.559 -3.681) 5.611 2.342 ( -2.229 -0.212 -3.156) 3.869 2.406 ( 0.744 0.013 -0.744) 1.052 2.514 ( 1.092 1.756 4.277) 4.750 2.572 ( -1.821 -1.299 0.987) 2.444 2.603 ( 3.026 -1.159 0.795) 3.336 2.660 ( 1.849 0.437 -0.443) 1.951 2.723 ( -3.711 0.833 1.258) 4.006 2.871 ( 0.447 0.509 3.142) 3.215 3.018 ( -9.695 0.273 4.345) 10.627 3.105 ( 9.500 2.028 -1.930) 9.904 3.473 ( -7.922 -0.632 -5.284) 9.543 4.080 ( 2.098 -1.448 -0.543) 2.607 4.188 ( -0.066 0.549 -3.355) 3.400 4.575 ( 3.106 1.704 4.012) 5.353 4.693 ( 5.518 -3.511 0.396) 6.552 7.894 ( 5.874 0.567 3.527) 6.875 7.931 ( 7.905 -1.162 6.006) 9.996 8.081 ( 1.837 1.102 6.699) 7.033 8.124 ( 1.503 -0.992 10.433) 10.587 8.290 ( 5.763 -0.020 5.805) 8.180 8.707 ( -11.003 -0.822 6.535) 12.824 9.494 ( 21.391 -0.417 3.343) 21.655 9.646 ( 18.098 0.157 -2.467) 18.266 10.089 ( 16.375 0.708 -3.247) 16.709 10.176 ( 4.173 -0.021 -2.841) 5.048 10.259 ( 3.352 0.192 -3.441) 4.807 10.282 ( 1.400 -0.132 -0.971) 1.709 10.397 ( -1.518 0.474 -4.951) 5.200 10.578 ( -3.887 0.264 -5.735) 6.933 10.599 ( -4.626 -0.867 0.375) 4.722 10.788 ( -18.818 -3.521 -3.680) 19.495 11.592 ( 18.289 0.012 -6.964) 19.570 11.651 ( 13.268 -0.378 -14.336) 19.537 11.744 ( 24.950 -1.148 0.916) 24.993 11.923 ( 8.745 -0.364 -1.524) 8.885 12.673 ( -7.512 -0.074 1.759) 7.716 12.930 ( -12.014 0.483 -1.648) 12.136 13.219 ( 0.827 1.134 9.879) 9.978 13.295 ( -5.177 0.791 6.588) 8.416 14.156 ( -11.757 0.657 3.996) 12.435 14.367 ( -3.923 7.826 -3.198) 9.320 14.510 ( -4.966 6.833 3.026) 8.972 14.670 ( -8.635 -3.345 2.761) 9.663 14.762 ( -0.560 -5.355 -3.730) 6.550 15.143 ( -11.943 1.214 -5.741) 13.307 ======================= Grid point 122 (41/93) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 1.036 0.022 3.348) 3.505 1.406 ( 7.941 0.222 2.820) 8.430 1.417 ( -1.354 0.214 -3.126) 3.413 1.480 ( -4.666 0.629 0.908) 4.795 1.521 ( 2.449 0.868 9.612) 9.957 1.616 ( -4.568 -0.277 9.623) 10.656 1.806 ( 0.304 -0.420 -0.713) 0.882 1.853 ( 0.312 -0.633 -1.777) 1.912 1.874 ( 2.167 -1.823 -1.380) 3.150 1.882 ( 0.817 -0.187 1.401) 1.633 1.921 ( -7.579 0.689 -5.311) 9.280 2.051 ( -0.184 -0.036 0.477) 0.513 2.097 ( 0.475 0.531 -4.177) 4.237 2.193 ( -2.534 0.522 -3.513) 4.363 2.220 ( -1.717 -0.226 -4.292) 4.628 2.278 ( 2.233 0.384 -6.787) 7.155 2.441 ( 0.129 0.774 1.047) 1.309 2.530 ( 1.409 0.021 6.776) 6.921 2.552 ( -1.675 -2.484 4.029) 5.021 2.626 ( -2.127 1.614 2.138) 3.420 2.677 ( 1.217 -0.683 -2.749) 3.083 2.728 ( 2.847 1.221 0.957) 3.243 2.864 ( -5.265 -0.770 5.412) 7.590 2.890 ( 2.856 0.433 3.403) 4.464 3.216 ( -1.512 2.622 -3.338) 4.506 3.365 ( 0.455 -1.730 -5.528) 5.811 4.120 ( 0.971 -1.432 -1.503) 2.291 4.178 ( -0.479 0.932 -3.407) 3.564 4.589 ( -0.502 0.502 5.817) 5.860 4.789 ( 3.064 -0.376 -0.408) 3.114 7.956 ( 1.034 0.436 0.592) 1.269 8.012 ( 0.762 -1.148 -0.754) 1.571 8.053 ( -3.618 0.129 17.184) 17.561 8.142 ( 1.715 0.355 17.896) 17.981 8.489 ( -3.576 0.154 1.929) 4.066 8.508 ( 5.362 -0.261 0.391) 5.383 9.693 ( 1.131 1.476 2.456) 3.081 9.819 ( 0.063 -1.539 0.573) 1.644 10.233 ( -1.779 0.022 -0.839) 1.967 10.242 ( -0.012 -0.106 -3.062) 3.064 10.330 ( 2.927 -0.762 -0.665) 3.097 10.364 ( -3.967 1.027 -1.087) 4.239 10.383 ( -11.769 -0.292 -4.417) 12.573 10.488 ( 10.525 0.264 -10.798) 15.081 10.549 ( 0.541 0.189 -5.482) 5.512 10.589 ( 6.902 -0.067 -3.815) 7.886 11.763 ( 0.026 0.156 -10.310) 10.311 11.776 ( 1.215 -0.201 -10.297) 10.371 11.992 ( 0.541 1.010 3.134) 3.337 12.069 ( 0.877 -1.187 1.389) 2.027 12.684 ( 8.536 -0.418 -7.293) 11.235 12.706 ( -9.193 0.458 -6.066) 11.023 13.222 ( -1.034 0.428 11.723) 11.776 13.244 ( -0.426 -0.105 11.925) 11.933 14.024 ( -0.867 -3.262 9.157) 9.760 14.172 ( -5.884 2.960 4.532) 7.996 14.331 ( -15.833 -6.083 1.139) 17.000 14.710 ( 12.449 6.382 -3.735) 14.480 14.857 ( 1.644 -0.519 -4.530) 4.847 14.955 ( -2.975 0.289 -4.599) 5.485 ======================= Grid point 123 (42/93) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -3.229 2.542 2.422) 4.770 1.248 ( -7.079 1.143 2.754) 7.681 1.385 ( -5.981 1.952 0.544) 6.315 1.436 ( -4.931 1.079 7.260) 8.842 1.561 ( 2.300 -2.365 -2.920) 4.406 1.707 ( 5.744 -2.074 6.261) 8.747 1.780 ( -0.846 -1.351 -0.405) 1.645 1.822 ( 0.338 -0.458 0.725) 0.922 1.864 ( -2.082 -0.000 -0.065) 2.083 1.906 ( 2.204 0.275 0.853) 2.379 1.992 ( 4.873 -3.572 -3.329) 6.898 2.050 ( -0.547 -0.694 2.537) 2.687 2.085 ( 1.504 -0.097 -1.993) 2.499 2.111 ( -7.039 0.463 -3.317) 7.795 2.218 ( 2.122 -2.127 -6.318) 6.996 2.351 ( 0.277 0.453 0.498) 0.728 2.418 ( 2.368 0.765 -3.893) 4.620 2.491 ( -3.900 -0.041 2.253) 4.504 2.580 ( 0.175 -2.847 2.674) 3.910 2.602 ( 0.056 0.888 0.759) 1.169 2.683 ( -1.942 1.420 -0.592) 2.477 2.717 ( 1.803 0.910 0.896) 2.209 2.840 ( -0.530 -1.508 2.682) 3.122 3.003 ( 4.783 -0.312 1.690) 5.082 3.068 ( -4.927 0.188 1.547) 5.168 3.481 ( 7.461 -0.278 -5.433) 9.234 4.125 ( -1.396 0.591 -2.315) 2.767 4.165 ( -0.075 -0.436 -2.456) 2.496 4.549 ( -3.654 0.025 6.716) 7.646 4.799 ( -1.054 2.795 -0.993) 3.148 7.899 ( -6.940 0.685 6.993) 9.876 7.939 ( -7.010 -0.522 8.981) 11.405 8.050 ( 0.080 -1.001 1.018) 1.430 8.152 ( -1.821 0.859 10.678) 10.867 8.295 ( -6.863 0.268 4.584) 8.257 8.745 ( 12.487 1.322 4.886) 13.474 9.525 ( -18.767 1.726 1.736) 18.926 9.635 ( -20.937 -0.775 -1.620) 21.014 10.058 ( -13.532 -1.153 -4.921) 14.445 10.172 ( -3.536 -0.257 -1.848) 3.998 10.248 ( -4.202 -0.396 -4.070) 5.863 10.291 ( -2.221 0.407 -0.613) 2.340 10.376 ( 2.790 -0.715 -2.760) 3.989 10.580 ( 2.182 0.089 -8.919) 9.183 10.632 ( 7.550 1.336 4.386) 8.833 10.940 ( 22.344 5.119 -5.984) 23.691 11.606 ( -16.680 1.022 -7.869) 18.471 11.663 ( -12.849 0.168 -12.799) 18.137 11.789 ( -23.559 1.429 1.183) 23.632 11.935 ( -8.861 0.232 -1.103) 8.932 12.680 ( 7.122 0.394 1.060) 7.211 12.903 ( 12.026 -1.235 -2.907) 12.434 13.163 ( -5.445 -2.115 11.111) 12.553 13.272 ( 3.449 -0.262 4.572) 5.733 13.970 ( -20.542 -13.814 -1.875) 24.826 14.140 ( 4.982 0.037 0.911) 5.065 14.352 ( 16.331 -4.672 10.911) 20.188 14.763 ( -2.924 1.075 1.465) 3.443 14.928 ( 15.836 5.811 -5.634) 17.784 15.098 ( 10.907 -1.079 -5.074) 12.078 ======================= Grid point 124 (43/93) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -10.611 4.452 3.632) 12.067 1.159 ( -6.934 3.692 8.702) 11.723 1.280 ( -3.099 1.273 -3.002) 4.498 1.348 ( -2.254 1.920 6.071) 6.754 1.565 ( -2.364 -3.660 -6.080) 7.481 1.755 ( -5.018 -1.884 0.611) 5.394 1.782 ( -2.489 -0.987 3.175) 4.153 1.803 ( -3.925 -0.295 3.144) 5.037 1.868 ( 0.916 -0.159 1.000) 1.365 1.941 ( 0.788 -0.095 -1.351) 1.567 1.987 ( -1.299 0.762 1.067) 1.846 2.037 ( -0.374 -1.905 -1.898) 2.715 2.113 ( 3.778 -0.524 3.120) 4.927 2.143 ( 2.540 -2.323 0.154) 3.446 2.229 ( -2.012 -3.034 -0.891) 3.748 2.369 ( 3.710 -1.770 -4.189) 5.869 2.420 ( -3.145 -0.250 -1.427) 3.463 2.501 ( 5.516 1.036 -6.538) 8.617 2.569 ( -4.386 -3.233 1.412) 5.629 2.611 ( 1.119 -0.485 -2.944) 3.187 2.670 ( 1.652 0.997 -2.002) 2.781 2.728 ( -0.122 1.201 0.802) 1.450 2.844 ( -0.412 -1.770 4.484) 4.838 2.933 ( -0.544 -0.071 0.408) 0.684 3.234 ( 12.568 -0.254 5.027) 13.539 3.598 ( 5.206 0.275 -4.683) 7.008 4.072 ( -3.020 1.545 -0.838) 3.495 4.177 ( 0.553 -0.960 -2.540) 2.771 4.464 ( -5.610 -0.304 6.073) 8.273 4.709 ( -5.666 4.793 -1.132) 7.507 7.665 ( -16.224 0.525 12.581) 20.537 7.864 ( -2.371 0.111 1.021) 2.584 8.018 ( -3.113 -0.472 -3.722) 4.876 8.025 ( -11.877 0.468 3.266) 12.327 8.278 ( 2.867 -0.399 13.248) 13.561 8.935 ( 10.071 2.124 13.294) 16.813 9.032 ( -31.767 1.768 2.021) 31.880 9.180 ( -27.524 -1.211 -4.446) 27.907 9.891 ( -6.988 -0.259 -6.911) 9.832 10.111 ( -4.247 0.391 -1.053) 4.393 10.172 ( -3.903 -0.280 -7.388) 8.360 10.258 ( -2.595 -0.008 -3.433) 4.303 10.445 ( 3.894 -0.497 -0.705) 3.989 10.541 ( -9.372 -1.077 -3.989) 10.243 10.747 ( 5.687 3.698 12.914) 14.587 10.909 ( -31.885 2.197 2.809) 32.084 11.337 ( 5.179 5.190 -6.376) 9.717 11.374 ( -10.005 1.607 -11.622) 15.419 11.582 ( -2.847 2.033 -10.692) 11.250 11.722 ( -13.954 0.266 -6.088) 15.227 12.834 ( 8.513 -0.140 5.690) 10.241 13.028 ( -1.856 -0.827 11.374) 11.554 13.158 ( 0.571 -9.953 4.275) 10.847 13.345 ( 3.670 -1.612 -1.314) 4.218 13.697 ( -20.213 -15.745 -1.034) 25.643 14.258 ( 5.563 -5.438 -11.292) 13.712 14.731 ( 19.511 -2.766 7.267) 21.004 14.802 ( 7.555 0.096 9.443) 12.094 15.191 ( 18.426 6.608 -5.825) 20.424 15.306 ( 10.841 -1.243 -5.063) 12.029 ======================= Grid point 125 (44/93) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -9.916 5.555 6.513) 13.100 0.960 ( -9.641 7.012 12.323) 17.146 1.190 ( -4.731 2.179 -0.246) 5.215 1.337 ( -1.018 0.841 -2.499) 2.827 1.492 ( -19.084 3.478 7.165) 20.679 1.565 ( -1.790 -3.068 -3.553) 5.024 1.634 ( -10.672 -0.587 -3.087) 11.125 1.769 ( -2.073 -0.637 6.080) 6.455 1.887 ( 1.552 0.029 0.735) 1.718 1.937 ( -5.181 -1.729 5.053) 7.441 1.995 ( 2.598 0.570 -2.744) 3.821 2.032 ( -1.170 -0.262 -2.772) 3.020 2.158 ( -0.514 -2.870 2.028) 3.551 2.219 ( 5.239 -1.696 3.390) 6.466 2.254 ( 2.592 -1.040 -1.560) 3.199 2.404 ( 0.865 -0.885 -7.578) 7.679 2.462 ( 2.434 0.535 -3.654) 4.423 2.508 ( -3.482 -4.692 -0.699) 5.885 2.591 ( 4.634 -0.669 -3.489) 5.839 2.609 ( 0.418 0.302 -5.336) 5.360 2.704 ( 0.740 -0.434 -1.703) 1.907 2.746 ( 2.399 -0.010 0.529) 2.456 2.876 ( 3.089 -2.148 5.616) 6.760 2.982 ( 4.631 1.432 0.667) 4.894 3.474 ( 13.769 -0.408 2.863) 14.069 3.656 ( 1.661 0.676 -2.307) 2.922 4.007 ( -2.541 1.391 0.823) 3.011 4.196 ( 0.707 -0.744 -3.438) 3.588 4.368 ( -5.070 -0.639 4.238) 6.639 4.534 ( -9.174 4.815 -0.276) 10.365 7.369 ( -14.995 0.742 10.878) 18.540 7.727 ( -18.955 0.139 0.834) 18.974 7.854 ( 1.142 -0.417 0.113) 1.221 7.983 ( -1.646 -0.673 -5.596) 5.872 8.328 ( -4.085 -0.461 12.540) 13.197 8.468 ( -21.359 1.156 6.538) 22.367 8.690 ( -25.376 -1.568 -4.588) 25.835 9.121 ( 9.622 1.767 18.200) 20.663 9.756 ( -40.164 1.680 0.884) 40.209 9.766 ( -8.700 -0.895 -9.824) 13.153 10.123 ( -1.826 -0.419 -9.111) 9.302 10.151 ( -4.004 -0.407 -6.269) 7.450 10.323 ( -3.856 -0.196 3.313) 5.087 10.509 ( 0.990 -0.350 1.145) 1.554 10.551 ( -6.997 0.440 4.246) 8.197 10.835 ( 4.108 4.104 15.398) 16.457 11.115 ( -10.731 0.095 -14.718) 18.214 11.327 ( -16.347 -0.904 -9.356) 18.856 11.547 ( 4.579 1.260 -9.241) 10.390 11.625 ( 4.483 6.744 -4.386) 9.209 12.959 ( 1.349 -1.528 8.639) 8.876 12.995 ( 1.696 -1.508 7.952) 8.269 13.106 ( -21.939 -28.976 18.625) 40.839 13.461 ( 4.266 -1.655 -3.053) 5.501 13.524 ( -5.716 -4.884 -4.763) 8.900 14.434 ( 8.055 -8.175 -19.701) 22.800 14.981 ( 10.220 -1.724 11.181) 15.246 15.054 ( 14.576 -0.701 5.798) 15.703 15.465 ( 12.653 1.472 -6.425) 14.267 15.513 ( 17.474 8.275 -6.803) 20.496 ======================= Grid point 126 (45/93) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -7.730 7.114 10.785) 15.056 0.700 ( -14.469 7.689 11.595) 20.073 1.016 ( -17.826 8.006 11.679) 22.766 1.114 ( -3.407 3.496 5.186) 7.122 1.292 ( -8.193 1.754 -10.306) 13.282 1.489 ( -3.055 -1.499 -1.167) 3.598 1.581 ( 0.678 -1.125 -1.742) 2.182 1.737 ( -2.791 -1.958 7.044) 7.825 1.825 ( -6.438 -2.589 9.306) 11.609 1.916 ( 1.146 1.453 2.569) 3.166 1.992 ( -2.416 0.640 0.127) 2.503 2.048 ( 3.239 1.417 -4.782) 5.947 2.177 ( 0.965 -2.494 -0.051) 2.675 2.302 ( 0.532 -1.714 -4.659) 4.992 2.327 ( 3.973 -1.514 -4.380) 6.105 2.400 ( -0.569 -0.076 -2.125) 2.201 2.484 ( 0.206 2.637 -3.462) 4.357 2.494 ( 1.275 -2.565 0.320) 2.882 2.655 ( 3.695 0.353 -5.385) 6.540 2.684 ( -0.525 0.430 -2.027) 2.138 2.699 ( 3.181 -2.727 -1.109) 4.334 2.776 ( 0.186 -1.096 -0.279) 1.146 2.974 ( 4.937 -1.808 2.302) 5.740 3.040 ( 3.283 3.164 0.565) 4.595 3.647 ( -0.573 -0.033 1.104) 1.244 3.736 ( 13.227 -0.751 0.252) 13.250 3.967 ( -0.941 1.055 0.634) 1.549 4.187 ( -3.831 0.097 -5.034) 6.326 4.304 ( -2.411 -0.679 2.613) 3.619 4.351 ( -5.550 2.404 2.511) 6.549 7.144 ( -8.940 0.514 9.536) 13.082 7.413 ( -14.068 -0.129 -0.027) 14.069 7.902 ( -11.110 -0.751 -1.441) 11.228 7.918 ( 4.368 -0.573 -0.902) 4.497 8.052 ( -4.951 0.090 -2.652) 5.617 8.302 ( -18.585 -1.751 -3.751) 19.040 8.454 ( 3.957 0.094 18.697) 19.112 9.018 ( -32.170 0.944 4.608) 32.512 9.206 ( -6.108 1.852 8.196) 10.388 9.613 ( -7.877 -5.464 -8.172) 12.597 10.104 ( -0.932 -0.576 -2.056) 2.329 10.136 ( 0.920 -0.208 -12.588) 12.623 10.295 ( -0.744 -0.110 0.913) 1.183 10.414 ( -5.187 0.061 3.133) 6.060 10.529 ( -2.526 -0.031 -4.076) 4.795 10.818 ( -3.529 0.076 -1.185) 3.723 10.931 ( -11.567 0.594 9.744) 15.136 11.173 ( 3.216 -5.534 3.597) 7.342 11.603 ( -1.613 2.345 -1.028) 3.026 11.624 ( 1.342 1.296 -2.469) 3.094 12.912 ( -24.247 -37.915 27.622) 52.806 12.938 ( -3.403 -2.489 11.463) 12.214 13.086 ( 3.810 -1.481 6.357) 7.557 13.404 ( -4.231 -0.722 -3.171) 5.336 13.610 ( 4.778 -1.071 -4.741) 6.816 14.637 ( 6.850 -7.159 -21.827) 23.970 15.149 ( 5.924 -2.317 8.783) 10.845 15.266 ( 8.445 -0.749 5.148) 9.918 15.608 ( 4.360 -2.266 -4.782) 6.857 15.792 ( 22.670 20.417 -17.832) 35.338 ======================= Grid point 127 (46/93) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 0.000 8.665 13.072) 15.683 0.410 ( 0.000 8.159 15.125) 17.185 0.783 ( 0.000 9.187 27.909) 29.382 1.067 ( 0.000 3.048 1.766) 3.523 1.174 ( 0.000 1.333 -14.636) 14.697 1.493 ( -0.000 -1.879 -1.004) 2.130 1.602 ( -0.000 -0.517 -1.363) 1.458 1.715 ( -0.000 -3.990 11.051) 11.749 1.789 ( -0.000 -2.429 9.952) 10.244 1.893 ( 0.000 3.768 4.003) 5.497 1.968 ( -0.000 -0.300 0.763) 0.820 2.058 ( 0.000 4.346 -3.170) 5.379 2.231 ( -0.000 -2.147 -5.544) 5.946 2.279 ( -0.000 -1.194 -7.289) 7.387 2.361 ( -0.000 -0.710 -9.718) 9.744 2.437 ( 0.000 1.130 -3.815) 3.979 2.475 ( -0.000 -4.333 4.663) 6.365 2.520 ( 0.000 1.179 4.686) 4.832 2.660 ( 0.000 2.292 -4.661) 5.194 2.715 ( -0.000 -0.579 -5.296) 5.328 2.736 ( -0.000 -0.029 -1.884) 1.884 2.785 ( -0.000 -1.895 -0.867) 2.084 3.029 ( 0.000 2.613 -0.301) 2.630 3.050 ( 0.000 1.508 0.072) 1.509 3.637 ( -0.000 -0.623 3.104) 3.166 3.910 ( -0.000 -0.637 -3.748) 3.801 3.953 ( 0.000 0.664 0.299) 0.729 4.109 ( -0.000 -2.164 -1.520) 2.644 4.289 ( -0.000 -0.403 1.665) 1.713 4.313 ( 0.000 0.719 1.196) 1.396 7.058 ( 0.000 0.309 8.764) 8.770 7.277 ( -0.000 -0.040 -0.470) 0.472 7.767 ( -0.000 -0.500 2.132) 2.190 8.015 ( -0.000 -0.962 -1.489) 1.773 8.044 ( -0.000 -0.065 -5.937) 5.937 8.092 ( -0.000 -0.246 -1.015) 1.045 8.515 ( 0.000 0.034 19.583) 19.583 8.669 ( 0.000 0.882 3.722) 3.825 9.003 ( 0.000 0.559 -5.772) 5.799 9.623 ( -0.000 -7.188 0.525) 7.207 10.098 ( -0.000 -0.263 -0.721) 0.767 10.159 ( -0.000 -1.250 -11.722) 11.789 10.289 ( -0.000 -0.096 0.255) 0.273 10.366 ( 0.000 0.044 2.783) 2.783 10.472 ( 0.000 0.121 -5.366) 5.368 10.777 ( -0.000 -0.062 -7.643) 7.643 10.819 ( -0.000 -0.604 21.217) 21.225 11.429 ( -0.000 -17.132 20.368) 26.615 11.461 ( 0.000 0.143 1.982) 1.987 11.644 ( 0.000 0.415 -1.848) 1.894 12.922 ( -0.000 -0.291 8.779) 8.783 12.941 ( -0.000 -52.137 47.731) 70.687 13.133 ( -0.000 -1.466 6.948) 7.101 13.367 ( -0.000 -0.094 -3.767) 3.769 13.664 ( -0.000 -1.503 -3.573) 3.876 14.743 ( -0.000 -1.237 -21.658) 21.693 15.217 ( -0.000 -1.675 6.155) 6.378 15.356 ( -0.000 -1.568 4.638) 4.896 15.661 ( -0.000 -0.706 -5.439) 5.485 15.862 ( 0.000 31.668 -31.706) 44.812 ======================= Grid point 130 (47/93) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 6.253 -0.000 3.024) 6.946 1.278 ( 11.842 -0.000 10.988) 16.154 1.283 ( 3.862 -0.000 5.035) 6.346 1.388 ( 5.156 -0.000 0.136) 5.158 1.660 ( -2.794 0.000 -2.402) 3.684 1.779 ( -7.478 0.000 3.562) 8.283 1.780 ( -1.137 0.000 0.775) 1.376 1.841 ( -0.591 0.000 0.759) 0.961 1.850 ( 0.309 -0.000 0.074) 0.317 1.879 ( -1.520 0.000 -1.728) 2.302 2.045 ( -2.453 0.000 1.563) 2.908 2.086 ( 4.971 -0.000 -0.185) 4.975 2.099 ( 3.449 -0.000 -4.159) 5.403 2.132 ( -7.889 0.000 -7.575) 10.937 2.299 ( -3.829 0.000 -2.873) 4.787 2.340 ( -2.302 0.000 -3.755) 4.404 2.406 ( 1.541 -0.000 0.042) 1.542 2.537 ( -1.250 0.000 5.089) 5.241 2.553 ( -1.018 0.000 2.590) 2.783 2.594 ( 3.505 -0.000 -0.989) 3.642 2.664 ( 2.107 -0.000 -1.199) 2.424 2.731 ( -4.290 0.000 2.049) 4.754 2.875 ( 0.476 -0.000 3.064) 3.101 3.020 ( -10.307 0.000 4.753) 11.350 3.123 ( 10.272 -0.000 -2.806) 10.649 3.467 ( -8.300 0.000 -5.175) 9.781 4.068 ( 2.134 -0.000 -0.203) 2.144 4.192 ( 0.045 -0.000 -3.724) 3.725 4.594 ( 1.532 -0.000 3.291) 3.630 4.659 ( 7.879 -0.000 0.929) 7.933 7.905 ( 3.568 -0.000 0.457) 3.598 7.915 ( 10.056 -0.000 7.809) 12.732 8.093 ( 3.544 -0.000 7.314) 8.127 8.113 ( 0.221 -0.000 10.782) 10.784 8.290 ( 5.518 -0.000 6.095) 8.222 8.701 ( -10.786 0.000 6.850) 12.777 9.491 ( 22.189 -0.000 3.604) 22.480 9.647 ( 17.113 -0.000 -2.640) 17.316 10.095 ( 17.231 -0.000 -2.984) 17.488 10.176 ( 4.195 -0.000 -3.163) 5.254 10.260 ( 3.094 -0.000 -3.231) 4.473 10.282 ( 1.321 -0.000 -1.069) 1.699 10.401 ( -1.220 0.000 -5.254) 5.393 10.584 ( -3.596 0.000 -9.106) 9.790 10.589 ( -4.865 0.000 3.617) 6.062 10.760 ( -18.143 0.000 -3.239) 18.430 11.593 ( 18.295 -0.000 -6.512) 19.420 11.648 ( 13.661 -0.000 -14.939) 20.244 11.734 ( 25.205 -0.000 0.998) 25.225 11.920 ( 8.517 -0.000 -1.596) 8.666 12.673 ( -7.600 0.000 1.904) 7.835 12.934 ( -11.920 0.000 -1.383) 12.000 13.228 ( 0.280 -0.000 9.529) 9.533 13.302 ( -5.611 0.000 6.822) 8.833 14.161 ( -13.498 0.000 4.854) 14.344 14.421 ( -12.438 0.000 -1.150) 12.491 14.587 ( -15.702 0.000 -0.331) 15.706 14.667 ( 2.777 -0.000 5.051) 5.764 14.680 ( 5.990 -0.000 -5.855) 8.376 15.153 ( -12.130 0.000 -5.937) 13.505 ======================= Grid point 131 (48/93) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 1.647 0.016 3.202) 3.601 1.414 ( 5.760 0.561 1.724) 6.039 1.419 ( 3.228 -0.010 -1.081) 3.404 1.475 ( 0.415 -0.611 3.194) 3.278 1.550 ( -0.983 2.075 7.984) 8.307 1.606 ( -8.910 -0.912 7.555) 11.717 1.797 ( 1.135 -0.607 -1.789) 2.204 1.845 ( 1.189 -0.133 -0.714) 1.394 1.854 ( -0.848 -0.812 -0.905) 1.482 1.880 ( 0.821 -0.069 1.245) 1.493 1.927 ( -9.066 0.226 -6.508) 11.162 2.050 ( -0.148 -0.060 0.740) 0.757 2.101 ( 1.923 0.086 -6.154) 6.448 2.201 ( -5.430 0.436 -1.438) 5.634 2.217 ( -1.727 -0.104 -4.750) 5.055 2.284 ( 3.344 0.260 -5.994) 6.869 2.456 ( 0.631 0.931 1.729) 2.063 2.509 ( -0.706 -1.714 4.992) 5.325 2.540 ( -0.363 0.147 7.104) 7.115 2.643 ( -3.729 0.662 1.469) 4.062 2.668 ( 2.346 -0.426 -2.710) 3.610 2.744 ( 5.142 0.676 0.738) 5.239 2.854 ( -7.358 -0.423 5.684) 9.307 2.895 ( 2.798 0.181 3.283) 4.317 3.266 ( -4.756 3.585 -4.149) 7.258 3.327 ( 3.037 -3.036 -5.071) 6.645 4.103 ( 1.371 -0.651 -0.890) 1.759 4.188 ( -0.543 0.345 -4.355) 4.402 4.597 ( -1.007 0.322 5.825) 5.921 4.783 ( 5.169 -0.248 -0.380) 5.189 7.967 ( 1.759 1.117 0.312) 2.107 7.989 ( 0.761 -1.591 -0.306) 1.790 8.056 ( -5.393 0.160 16.751) 17.599 8.146 ( 2.714 0.174 17.980) 18.184 8.492 ( -9.837 0.166 2.177) 10.077 8.504 ( 12.724 -0.232 0.175) 12.728 9.719 ( 2.571 1.587 2.057) 3.655 9.792 ( -0.669 -1.626 1.091) 2.070 10.234 ( -3.285 0.022 -0.751) 3.370 10.240 ( 0.308 -0.075 -3.214) 3.230 10.323 ( 2.564 -0.261 -0.763) 2.688 10.376 ( -4.327 0.430 -1.048) 4.472 10.379 ( -16.965 -0.161 -3.681) 17.361 10.491 ( 14.735 0.129 -11.567) 18.733 10.552 ( -0.651 0.117 -5.903) 5.939 10.588 ( 13.105 -0.030 -3.324) 13.520 11.766 ( -0.864 0.231 -10.601) 10.639 11.772 ( 2.864 -0.259 -9.772) 10.186 12.013 ( 0.570 1.527 2.700) 3.154 12.046 ( 1.741 -1.637 1.608) 2.881 12.680 ( 9.174 -0.177 -7.918) 12.120 12.711 ( -10.249 0.203 -5.337) 11.557 13.231 ( -1.577 0.682 11.637) 11.763 13.240 ( -0.731 -0.475 11.376) 11.409 13.986 ( -3.567 -1.467 10.875) 11.539 14.208 ( -7.795 1.605 2.681) 8.398 14.257 ( -18.365 -3.062 3.263) 18.902 14.794 ( 11.311 4.181 -3.585) 12.580 14.842 ( 5.117 -1.612 -5.699) 7.827 14.960 ( -5.324 0.202 -4.921) 7.252 ======================= Grid point 132 (49/93) ======================= q-point: (-0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 1.517 1.561 2.287) 3.157 1.276 ( -8.983 2.408 0.843) 9.339 1.411 ( -5.809 1.418 2.687) 6.556 1.444 ( -4.355 0.080 4.423) 6.207 1.531 ( 0.040 -1.696 -4.055) 4.396 1.678 ( 5.012 -1.573 6.364) 8.252 1.758 ( -1.367 -1.293 -0.728) 2.018 1.815 ( 0.885 -0.453 0.640) 1.182 1.864 ( -2.774 0.009 0.577) 2.833 1.908 ( 2.222 0.051 0.810) 2.366 1.937 ( 4.894 -2.990 -1.667) 5.973 2.042 ( -1.262 -0.323 2.974) 3.247 2.095 ( -2.153 0.651 -4.359) 4.906 2.120 ( -3.378 1.015 -1.994) 4.051 2.190 ( 1.599 -1.675 -5.913) 6.351 2.359 ( -0.844 0.568 1.845) 2.107 2.429 ( 2.331 0.571 -3.969) 4.639 2.491 ( -2.919 -0.039 2.568) 3.888 2.540 ( -1.172 -2.127 2.407) 3.419 2.615 ( 0.698 0.769 2.386) 2.602 2.692 ( -0.290 0.001 -3.131) 3.144 2.740 ( -0.540 1.790 3.686) 4.133 2.816 ( -0.289 -1.596 1.440) 2.169 3.001 ( 5.298 0.038 1.728) 5.573 3.077 ( -6.067 0.779 0.854) 6.176 3.475 ( 7.861 -0.464 -5.359) 9.525 4.125 ( 0.375 -0.323 -1.629) 1.703 4.164 ( -1.647 0.126 -3.913) 4.247 4.552 ( -3.695 0.264 7.688) 8.534 4.832 ( 0.420 1.481 -1.384) 2.070 7.910 ( -8.146 0.644 10.520) 13.321 7.930 ( -5.921 -0.568 7.050) 9.224 8.036 ( 0.707 -0.793 -0.533) 1.189 8.163 ( -1.824 0.552 10.631) 10.800 8.299 ( -7.131 0.215 4.325) 8.343 8.762 ( 13.278 0.811 4.230) 13.959 9.555 ( -18.861 2.220 0.778) 19.007 9.617 ( -20.544 -1.506 -1.129) 20.631 10.042 ( -12.950 -0.835 -5.825) 14.224 10.169 ( -3.263 -0.190 -1.648) 3.661 10.243 ( -4.386 -0.253 -4.049) 5.974 10.297 ( -2.714 0.300 -0.520) 2.779 10.368 ( 3.148 -0.386 -1.727) 3.611 10.580 ( 1.275 -0.042 -9.618) 9.703 10.650 ( 9.448 0.980 5.546) 10.999 11.004 ( 23.560 3.102 -6.974) 24.766 11.624 ( -14.764 1.219 -7.860) 16.770 11.662 ( -13.694 -0.320 -12.345) 18.440 11.807 ( -23.465 0.860 1.481) 23.528 11.937 ( -7.902 -0.006 -0.960) 7.960 12.687 ( 7.060 0.376 0.864) 7.122 12.884 ( 11.063 -1.120 -3.137) 11.554 13.137 ( -8.074 -1.208 11.602) 14.186 13.274 ( 3.828 0.376 2.460) 4.566 13.793 ( -23.933 -8.811 0.387) 25.506 14.149 ( 1.872 1.012 -0.032) 2.129 14.287 ( 17.401 -3.673 12.886) 21.962 14.770 ( -3.629 0.132 0.487) 3.664 14.996 ( 13.443 2.754 -4.167) 14.341 15.093 ( 12.134 0.439 -6.538) 13.790 ======================= Grid point 133 (50/93) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -7.805 7.465 1.388) 10.889 1.205 ( -3.122 2.237 5.631) 6.816 1.309 ( -3.342 2.336 -3.155) 5.156 1.370 ( -2.108 0.754 7.100) 7.445 1.504 ( -3.077 -4.348 -6.461) 8.374 1.713 ( -3.303 -2.883 -0.170) 4.387 1.770 ( -7.521 -1.329 0.475) 7.652 1.797 ( -0.314 -0.196 6.546) 6.557 1.856 ( 2.546 -1.113 0.921) 2.927 1.939 ( -0.267 -0.147 -1.653) 1.681 1.974 ( -3.511 -1.712 -0.985) 4.028 2.040 ( 2.019 1.183 1.871) 2.996 2.087 ( 3.796 -2.182 2.059) 4.838 2.134 ( 2.983 0.632 1.246) 3.294 2.188 ( -2.822 -2.119 -2.287) 4.205 2.343 ( 1.396 -1.428 -3.592) 4.110 2.420 ( -2.648 0.033 -0.487) 2.693 2.500 ( -1.969 -2.613 -1.812) 3.740 2.526 ( 2.148 -0.012 -2.924) 3.628 2.625 ( 1.626 1.343 -0.325) 2.134 2.678 ( -0.496 0.269 -3.055) 3.106 2.751 ( 1.433 1.413 2.034) 2.861 2.817 ( -0.788 -1.689 3.420) 3.895 2.937 ( -0.110 0.529 -0.796) 0.962 3.230 ( 12.450 -0.233 5.044) 13.435 3.600 ( 5.588 -0.001 -4.833) 7.388 4.093 ( -2.969 1.229 -1.889) 3.727 4.161 ( 0.501 -1.199 -2.297) 2.639 4.463 ( -5.843 0.057 7.648) 9.625 4.770 ( -5.224 3.245 -1.817) 6.412 7.671 ( -15.878 0.343 13.416) 20.790 7.864 ( -2.571 -0.062 1.021) 2.767 8.010 ( -2.864 -0.506 -4.373) 5.251 8.033 ( -12.526 0.533 3.348) 12.976 8.274 ( 2.699 -0.214 12.430) 12.721 8.966 ( 10.400 1.833 12.771) 16.572 9.058 ( -32.330 1.502 1.503) 32.399 9.165 ( -27.450 -0.737 -3.956) 27.743 9.886 ( -6.566 -0.424 -8.732) 10.933 10.115 ( -3.459 0.178 -0.861) 3.569 10.168 ( -3.766 -0.279 -7.590) 8.477 10.258 ( -3.012 -0.014 -3.452) 4.581 10.439 ( 4.092 -0.307 -0.752) 4.172 10.525 ( -10.082 -0.929 -3.804) 10.816 10.805 ( 7.678 3.655 14.414) 16.736 10.937 ( -32.905 1.466 2.725) 33.050 11.354 ( -15.806 -0.268 -16.001) 22.493 11.444 ( 9.688 4.626 -3.556) 11.309 11.623 ( -0.205 3.389 -9.753) 10.327 11.725 ( -13.687 0.018 -6.321) 15.076 12.833 ( 7.803 0.071 5.147) 9.348 12.976 ( -16.125 -10.858 9.294) 21.548 13.022 ( -0.647 -1.742 12.735) 12.870 13.334 ( 3.655 0.298 -3.256) 4.904 13.516 ( -9.949 -8.796 -3.031) 13.621 14.188 ( 1.993 -3.543 -12.212) 12.871 14.686 ( 20.953 -2.857 9.378) 23.133 14.799 ( 6.348 -0.357 8.956) 10.983 15.227 ( 12.267 -0.916 -4.314) 13.036 15.332 ( 16.901 3.926 -7.267) 18.811 ======================= Grid point 134 (51/93) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -6.444 10.029 2.995) 12.291 1.070 ( -6.989 7.164 8.215) 12.949 1.232 ( -2.775 3.318 -0.383) 4.342 1.354 ( -1.500 1.407 -0.882) 2.238 1.507 ( -0.555 -3.895 -3.733) 5.423 1.533 ( -16.255 0.625 4.300) 16.826 1.613 ( -10.829 -2.275 -3.432) 11.585 1.759 ( -2.607 -0.547 7.222) 7.697 1.875 ( -5.786 -2.671 4.181) 7.622 1.900 ( 1.283 -0.776 2.296) 2.742 1.994 ( 2.326 -0.305 -3.887) 4.540 2.059 ( 1.151 1.816 -0.656) 2.248 2.115 ( -1.430 -1.851 1.459) 2.757 2.202 ( 4.928 -0.672 4.149) 6.477 2.228 ( 3.333 -2.358 -1.869) 4.490 2.375 ( 1.160 -2.956 -8.288) 8.876 2.425 ( -3.261 -3.164 1.283) 4.721 2.478 ( 4.847 -0.641 -3.703) 6.134 2.591 ( 1.881 0.775 -3.797) 4.307 2.623 ( 0.729 0.936 -5.986) 6.103 2.688 ( 0.776 -0.698 -0.427) 1.127 2.764 ( 1.214 1.260 0.551) 1.834 2.840 ( 2.326 -2.284 6.702) 7.452 3.003 ( 6.148 1.247 -0.692) 6.312 3.469 ( 13.674 -0.339 2.805) 13.963 3.664 ( 1.424 0.303 -2.623) 3.000 4.028 ( -2.633 1.322 0.203) 2.953 4.183 ( 0.999 -0.902 -3.147) 3.422 4.359 ( -5.471 -0.596 5.601) 7.852 4.603 ( -9.892 4.032 -1.226) 10.752 7.381 ( -15.010 0.673 10.932) 18.581 7.729 ( -19.301 0.105 0.682) 19.313 7.849 ( 0.950 -0.242 0.181) 0.997 7.972 ( -1.872 -0.685 -5.730) 6.067 8.321 ( -3.567 -0.396 12.925) 13.413 8.486 ( -22.301 1.183 5.599) 23.023 8.669 ( -25.760 -1.137 -3.997) 26.093 9.152 ( 9.703 2.232 17.833) 20.424 9.754 ( -10.461 -0.630 -9.637) 14.238 9.782 ( -40.244 1.456 -0.463) 40.273 10.117 ( -2.080 -0.282 -8.724) 8.973 10.143 ( -3.032 -0.677 -7.873) 8.464 10.321 ( -3.521 -0.144 3.291) 4.822 10.507 ( 1.899 -0.042 0.298) 1.923 10.557 ( -8.434 0.354 4.377) 9.509 10.895 ( 0.920 3.457 12.667) 13.163 11.124 ( -6.375 1.245 -9.646) 11.629 11.319 ( -22.438 -0.299 -9.569) 24.395 11.558 ( 4.020 0.479 -10.040) 10.825 11.739 ( 6.145 7.985 -2.721) 10.437 12.678 ( -26.996 -23.999 21.348) 41.958 12.946 ( 2.093 -0.774 8.625) 8.909 12.985 ( 0.272 -1.304 9.557) 9.649 13.439 ( 1.837 -1.265 -3.745) 4.359 13.487 ( 2.661 -1.386 -5.839) 6.564 14.303 ( 5.662 -8.370 -21.898) 24.117 14.954 ( 8.806 -1.722 11.782) 14.810 15.035 ( 15.324 -1.628 7.376) 17.085 15.427 ( 8.082 -3.142 -4.323) 9.689 15.653 ( 23.100 7.391 -10.121) 26.281 ======================= Grid point 135 (52/93) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -4.534 11.866 5.903) 14.008 0.832 ( -13.172 9.285 7.933) 17.962 1.138 ( -9.236 7.629 0.972) 12.018 1.181 ( -4.001 5.017 7.882) 10.164 1.322 ( -7.992 2.190 -5.730) 10.075 1.458 ( -4.354 -2.703 -2.806) 5.842 1.555 ( 1.181 -2.309 -1.066) 2.804 1.698 ( -5.779 -3.039 7.065) 9.620 1.794 ( -3.322 -1.165 9.805) 10.418 1.935 ( 2.011 0.851 2.231) 3.122 2.009 ( -1.622 1.077 -1.781) 2.639 2.070 ( 2.247 1.692 -1.244) 3.076 2.125 ( 1.246 -4.049 0.558) 4.273 2.271 ( -0.963 -2.375 -4.337) 5.037 2.310 ( 5.352 -0.832 -2.699) 6.052 2.395 ( -0.818 -0.962 0.977) 1.596 2.439 ( 1.997 -2.821 -6.314) 7.198 2.536 ( 1.415 2.914 -3.036) 4.440 2.626 ( 1.944 -3.653 -4.553) 6.152 2.677 ( -0.403 -0.014 -2.464) 2.496 2.683 ( 3.810 -0.515 -2.639) 4.663 2.775 ( 0.405 0.464 -0.574) 0.842 2.929 ( 4.486 -3.548 5.874) 8.199 3.091 ( 4.617 3.137 -0.683) 5.623 3.645 ( -1.571 -0.261 0.964) 1.861 3.724 ( 12.739 -0.752 -0.160) 12.762 3.987 ( -0.802 1.554 0.233) 1.764 4.190 ( -2.321 0.149 -5.583) 6.048 4.290 ( -2.700 -1.104 3.392) 4.474 4.394 ( -7.970 3.032 1.811) 8.717 7.153 ( -9.082 0.620 9.384) 13.073 7.411 ( -14.142 -0.098 -0.067) 14.143 7.889 ( -10.927 -0.879 -1.364) 11.047 7.910 ( 4.535 -0.439 -1.156) 4.701 8.054 ( -5.626 0.094 -2.818) 6.292 8.278 ( -18.053 -1.403 -2.775) 18.319 8.457 ( 4.075 0.282 18.682) 19.124 9.037 ( -31.717 1.541 4.400) 32.057 9.235 ( -8.153 1.727 6.339) 10.471 9.545 ( -9.460 -3.271 -0.345) 10.015 10.095 ( -0.826 -0.413 -3.021) 3.159 10.135 ( 0.625 -0.034 -14.756) 14.770 10.294 ( -0.781 -0.130 0.972) 1.254 10.416 ( -5.231 0.147 3.088) 6.077 10.529 ( -2.506 -0.050 -4.810) 5.424 10.805 ( -5.877 -1.439 -1.230) 6.174 10.926 ( -15.761 -1.045 8.749) 18.057 11.162 ( 7.348 3.543 10.536) 13.325 11.621 ( 1.559 0.715 -3.620) 4.005 11.658 ( -8.422 2.810 6.463) 10.982 12.487 ( -12.340 -19.408 17.293) 28.775 12.927 ( -1.612 -0.674 9.698) 9.854 13.062 ( 3.490 -1.765 5.855) 7.041 13.397 ( -3.329 -0.450 -3.463) 4.825 13.594 ( 4.660 -0.947 -5.098) 6.972 14.486 ( 5.243 -11.339 -25.454) 28.354 15.106 ( 5.450 -3.087 11.334) 12.949 15.254 ( 8.044 -0.838 6.328) 10.269 15.563 ( 4.222 -3.357 -4.112) 6.782 16.006 ( 21.096 9.180 -18.037) 29.235 ======================= Grid point 136 (53/93) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 0.000 10.952 8.595) 13.921 0.574 ( 0.000 12.791 8.952) 15.612 0.954 ( 0.000 12.428 17.019) 21.074 1.137 ( 0.000 5.840 3.311) 6.713 1.198 ( 0.000 1.584 -13.632) 13.723 1.456 ( -0.000 -2.801 -1.516) 3.185 1.585 ( -0.000 -1.691 -0.775) 1.860 1.653 ( -0.000 -3.908 10.095) 10.825 1.772 ( -0.000 -0.207 9.735) 9.737 1.951 ( 0.000 3.732 3.788) 5.318 1.964 ( -0.000 -0.146 0.924) 0.935 2.091 ( 0.000 0.038 -1.403) 1.404 2.192 ( -0.000 -2.746 -4.426) 5.209 2.249 ( -0.000 -2.468 -3.876) 4.595 2.358 ( 0.000 0.409 -12.646) 12.653 2.426 ( -0.000 -2.659 3.017) 4.021 2.449 ( 0.000 0.333 -0.493) 0.595 2.549 ( 0.000 2.693 1.223) 2.958 2.631 ( -0.000 -4.365 -3.022) 5.309 2.705 ( -0.000 -1.102 -8.061) 8.136 2.734 ( -0.000 -0.215 -1.921) 1.933 2.775 ( 0.000 0.243 -2.923) 2.933 3.013 ( -0.000 -3.603 2.800) 4.563 3.105 ( 0.000 4.288 -0.277) 4.297 3.625 ( -0.000 -1.003 3.101) 3.259 3.897 ( -0.000 -1.009 -3.746) 3.880 3.969 ( 0.000 1.492 -0.106) 1.496 4.101 ( 0.000 0.974 -2.639) 2.813 4.276 ( -0.000 -1.190 2.439) 2.714 4.328 ( 0.000 1.187 1.649) 2.031 7.064 ( 0.000 0.499 8.643) 8.657 7.276 ( -0.000 -0.070 -0.468) 0.473 7.757 ( -0.000 -0.806 2.244) 2.384 8.002 ( -0.000 -0.721 -2.010) 2.135 8.042 ( -0.000 -0.206 -6.357) 6.360 8.087 ( -0.000 -0.402 -0.966) 1.046 8.517 ( 0.000 0.289 19.987) 19.989 8.687 ( 0.000 1.424 3.611) 3.881 9.014 ( 0.000 0.890 -5.716) 5.785 9.533 ( -0.000 -3.909 15.448) 15.935 10.092 ( -0.000 -0.517 -1.278) 1.378 10.146 ( -0.000 -0.392 -14.762) 14.768 10.287 ( -0.000 -0.155 0.309) 0.345 10.367 ( 0.000 0.078 2.745) 2.746 10.474 ( 0.000 0.200 -5.586) 5.590 10.775 ( -0.000 -0.098 -7.411) 7.411 10.790 ( -0.000 -2.902 24.007) 24.182 11.287 ( -0.000 -0.748 32.173) 32.182 11.464 ( 0.000 0.233 1.979) 1.993 11.653 ( 0.000 0.667 -1.923) 2.035 12.498 ( -0.000 -15.544 17.190) 23.176 12.916 ( -0.000 -0.473 8.864) 8.877 13.110 ( -0.000 -1.812 6.313) 6.568 13.365 ( -0.000 -0.153 -3.805) 3.808 13.645 ( -0.000 -1.151 -4.649) 4.789 14.626 ( -0.000 -11.365 -24.769) 27.252 15.181 ( -0.000 -3.143 10.087) 10.565 15.335 ( -0.000 -1.088 5.462) 5.569 15.626 ( -0.000 -3.092 -4.039) 5.087 16.157 ( 0.000 10.747 -27.524) 29.548 ======================= Grid point 141 (54/93) ======================= q-point: (-0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 3.020 -0.000 2.285) 3.787 1.301 ( -8.352 0.000 -0.173) 8.354 1.423 ( -8.760 0.000 10.013) 13.304 1.444 ( -1.703 0.000 -2.676) 3.172 1.515 ( -1.598 0.000 -5.231) 5.470 1.665 ( 4.795 -0.000 6.388) 7.988 1.747 ( -1.538 0.000 -0.591) 1.648 1.811 ( 1.204 -0.000 0.434) 1.280 1.864 ( -2.954 0.000 0.950) 3.103 1.909 ( 2.124 -0.000 0.734) 2.247 1.913 ( 4.891 -0.000 -1.129) 5.019 2.039 ( -1.243 0.000 3.174) 3.409 2.098 ( -5.108 0.000 -6.171) 8.011 2.134 ( -0.652 0.000 0.679) 0.941 2.173 ( 1.628 -0.000 -6.746) 6.940 2.365 ( -1.400 0.000 2.180) 2.591 2.434 ( 1.828 -0.000 -3.299) 3.771 2.489 ( -0.685 0.000 2.510) 2.602 2.523 ( -3.030 0.000 2.208) 3.749 2.621 ( 1.063 -0.000 3.371) 3.534 2.691 ( 0.172 -0.000 -4.009) 4.013 2.758 ( -2.201 0.000 5.840) 6.241 2.800 ( 0.628 -0.000 -0.513) 0.811 3.002 ( 5.833 -0.000 1.911) 6.138 3.084 ( -6.995 0.000 0.270) 7.000 3.470 ( 8.145 -0.000 -5.307) 9.721 4.122 ( 1.031 -0.000 -1.245) 1.616 4.165 ( -2.222 0.000 -4.628) 5.134 4.555 ( -3.729 0.000 8.030) 8.854 4.843 ( 0.957 -0.000 -1.526) 1.801 7.916 ( -10.435 0.000 17.196) 20.115 7.925 ( -3.792 0.000 0.772) 3.870 8.029 ( 1.051 -0.000 -0.966) 1.428 8.167 ( -1.837 0.000 10.591) 10.749 8.301 ( -7.195 0.000 4.273) 8.368 8.768 ( 13.604 -0.000 3.988) 14.176 9.587 ( -21.200 0.000 1.570) 21.258 9.592 ( -18.030 0.000 -2.124) 18.155 10.036 ( -12.815 0.000 -6.189) 14.231 10.167 ( -3.169 0.000 -1.586) 3.544 10.241 ( -4.440 0.000 -3.991) 5.970 10.299 ( -2.919 0.000 -0.495) 2.961 10.365 ( 3.255 -0.000 -1.349) 3.523 10.579 ( 0.966 -0.000 -9.782) 9.830 10.658 ( 10.199 -0.000 5.904) 11.785 11.028 ( 23.941 -0.000 -7.366) 25.049 11.636 ( -12.765 0.000 -7.255) 14.683 11.657 ( -15.212 0.000 -12.711) 19.823 11.813 ( -23.607 0.000 1.618) 23.662 11.937 ( -7.271 0.000 -0.928) 7.330 12.690 ( 7.079 -0.000 0.821) 7.126 12.875 ( 10.307 -0.000 -3.122) 10.769 13.127 ( -9.055 0.000 11.857) 14.919 13.278 ( 4.511 -0.000 1.116) 4.647 13.723 ( -25.283 0.000 1.555) 25.331 14.161 ( -0.515 0.000 -1.276) 1.376 14.255 ( 18.970 -0.000 14.520) 23.889 14.771 ( -3.685 0.000 0.144) 3.688 15.014 ( 11.188 -0.000 -2.695) 11.508 15.100 ( 13.583 -0.000 -8.014) 15.770 ======================= Grid point 143 (55/93) ======================= q-point: (-0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -4.543 5.981 0.079) 7.511 1.225 ( -1.677 0.504 4.314) 4.656 1.327 ( -0.442 -0.947 3.967) 4.102 1.383 ( -3.888 2.276 -1.166) 4.653 1.438 ( -4.224 -4.169 -6.290) 8.648 1.682 ( -3.238 -1.014 -0.527) 3.434 1.743 ( -9.410 -1.431 -0.822) 9.553 1.799 ( 1.075 0.185 7.702) 7.779 1.844 ( 2.160 -0.360 1.874) 2.882 1.939 ( -2.536 0.223 -2.120) 3.313 1.951 ( -0.869 -1.114 -1.649) 2.171 2.053 ( 3.086 0.415 3.755) 4.878 2.063 ( 4.118 -0.839 2.147) 4.719 2.149 ( 1.402 1.039 0.442) 1.800 2.166 ( -3.135 -0.968 -2.289) 4.001 2.328 ( 0.721 -0.581 -2.767) 2.918 2.422 ( -4.393 0.255 0.789) 4.471 2.463 ( -3.032 -1.589 0.177) 3.427 2.534 ( 4.661 0.375 -5.091) 6.912 2.642 ( 1.915 0.703 2.433) 3.175 2.680 ( -1.393 0.035 -4.788) 4.987 2.766 ( 2.113 0.580 4.550) 5.050 2.797 ( -1.039 -0.803 1.002) 1.651 2.945 ( -0.367 0.337 -1.950) 2.012 3.227 ( 12.370 -0.095 5.031) 13.354 3.599 ( 5.858 -0.049 -4.932) 7.658 4.109 ( -3.235 0.782 -2.808) 4.355 4.144 ( 0.857 -0.854 -1.922) 2.271 4.464 ( -6.125 0.061 8.521) 10.494 4.804 ( -4.964 1.135 -2.205) 5.549 7.675 ( -15.672 0.106 13.880) 20.935 7.863 ( -2.692 -0.051 0.903) 2.840 8.004 ( -2.780 -0.209 -4.602) 5.380 8.039 ( -12.760 0.223 3.362) 13.198 8.272 ( 2.577 -0.054 11.952) 12.227 8.986 ( 10.603 0.722 12.608) 16.489 9.075 ( -33.019 0.635 1.217) 33.047 9.157 ( -26.990 -0.272 -3.875) 27.268 9.880 ( -6.185 -0.227 -10.079) 11.827 10.117 ( -3.060 0.043 -0.765) 3.155 10.165 ( -3.697 -0.122 -7.537) 8.396 10.258 ( -3.339 -0.007 -3.510) 4.845 10.436 ( 4.278 -0.093 -0.724) 4.339 10.515 ( -10.469 -0.365 -3.663) 11.097 10.847 ( 10.077 1.575 15.569) 18.613 10.952 ( -34.417 0.464 2.455) 34.508 11.350 ( -16.781 -0.172 -15.453) 22.813 11.489 ( 7.419 1.364 -5.721) 9.467 11.674 ( 5.953 2.548 -8.173) 10.427 11.721 ( -15.149 -0.519 -6.869) 16.642 12.832 ( -4.634 -1.255 7.602) 8.991 12.844 ( -12.096 -3.799 9.706) 15.967 13.010 ( -1.892 -0.375 13.266) 13.405 13.355 ( 2.693 2.501 -4.526) 5.830 13.413 ( -2.670 -5.050 -4.299) 7.149 14.153 ( -0.457 -1.169 -12.700) 12.762 14.653 ( 21.946 -1.211 10.781) 24.481 14.794 ( 5.713 -0.213 8.639) 10.360 15.210 ( 10.258 -0.731 -3.483) 10.858 15.379 ( 18.325 1.717 -8.363) 20.216 ======================= Grid point 144 (56/93) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -3.968 10.894 1.408) 11.679 1.162 ( -3.218 4.232 4.598) 7.029 1.289 ( -1.302 4.230 -1.466) 4.663 1.375 ( -1.644 0.992 1.204) 2.267 1.436 ( 1.198 -5.027 -2.999) 5.975 1.508 ( -15.764 -3.878 0.033) 16.234 1.576 ( -10.692 -2.094 -3.995) 11.604 1.762 ( -3.851 1.172 8.992) 9.852 1.830 ( -6.188 -2.744 6.494) 9.380 1.898 ( 2.792 -0.202 0.864) 2.930 1.990 ( 2.291 -0.228 -3.818) 4.458 2.057 ( -2.885 -0.834 0.816) 3.112 2.123 ( 2.808 1.593 0.066) 3.229 2.190 ( 3.907 -2.151 -1.877) 4.839 2.200 ( 4.008 0.291 3.389) 5.257 2.322 ( -2.527 -3.290 -2.386) 4.785 2.403 ( 1.309 -0.385 -3.161) 3.443 2.464 ( 3.755 -1.065 -2.305) 4.533 2.606 ( 2.333 0.988 -4.730) 5.365 2.632 ( -1.421 0.178 -5.301) 5.491 2.689 ( 2.237 0.709 1.399) 2.732 2.771 ( -0.713 -0.350 1.029) 1.300 2.815 ( 2.336 -0.750 6.037) 6.516 3.018 ( 6.999 0.705 -2.035) 7.323 3.464 ( 13.672 -0.206 2.822) 13.961 3.666 ( 1.158 0.045 -2.867) 3.093 4.046 ( -2.607 0.860 -0.396) 2.774 4.171 ( 1.468 -0.655 -2.903) 3.319 4.351 ( -5.996 -0.391 6.580) 8.911 4.651 ( -10.274 2.216 -1.919) 10.684 7.389 ( -14.981 0.376 10.956) 18.564 7.730 ( -19.383 0.025 0.478) 19.389 7.846 ( 0.707 -0.075 0.350) 0.793 7.963 ( -2.034 -0.423 -5.794) 6.156 8.316 ( -3.363 -0.210 13.107) 13.533 8.501 ( -22.838 0.748 4.988) 23.388 8.657 ( -25.974 -0.533 -3.618) 26.230 9.183 ( 9.906 1.584 17.560) 20.223 9.747 ( -11.005 -0.298 -10.100) 14.941 9.798 ( -40.871 0.698 -1.055) 40.891 10.116 ( -2.069 0.114 -8.396) 8.648 10.132 ( -2.200 -0.779 -9.270) 9.560 10.319 ( -3.301 -0.065 3.281) 4.655 10.507 ( 2.895 0.080 -0.442) 2.930 10.562 ( -10.022 0.205 4.633) 11.043 10.933 ( -4.091 1.468 7.554) 8.716 11.150 ( -0.343 1.756 -2.561) 3.125 11.316 ( -25.443 -0.060 -9.257) 27.074 11.564 ( 3.816 0.228 -10.634) 11.300 11.861 ( 7.805 7.908 -3.274) 11.583 12.376 ( -27.554 -15.709 24.221) 39.908 12.941 ( 1.877 0.046 8.127) 8.341 12.965 ( 0.099 -1.306 9.386) 9.477 13.423 ( 0.362 -0.707 -4.464) 4.534 13.472 ( 6.140 -0.648 -6.150) 8.715 14.198 ( 3.299 -4.991 -22.995) 23.761 14.932 ( 7.825 -1.117 11.763) 14.172 15.011 ( 16.210 -1.241 8.870) 18.519 15.386 ( 7.816 -2.052 -3.838) 8.946 15.735 ( 22.994 3.502 -10.908) 25.690 ======================= Grid point 145 (57/93) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -3.950 12.723 2.856) 13.624 0.969 ( -12.402 8.432 4.910) 15.780 1.236 ( -5.700 1.984 0.509) 6.057 1.246 ( -0.212 5.922 -1.921) 6.229 1.359 ( -9.059 2.253 0.072) 9.335 1.408 ( -3.429 -3.575 -2.478) 5.539 1.512 ( 2.056 -3.208 -0.075) 3.811 1.660 ( -6.668 -1.527 7.078) 9.843 1.780 ( -1.430 -0.931 10.680) 10.816 1.947 ( 2.367 0.689 1.326) 2.799 2.012 ( 0.255 -0.692 -3.200) 3.284 2.059 ( -0.512 -3.361 -1.157) 3.591 2.109 ( 0.518 2.521 1.749) 3.111 2.233 ( -1.119 -2.454 -3.730) 4.603 2.300 ( 5.834 -0.591 -1.008) 5.950 2.355 ( 1.823 -3.493 0.836) 4.028 2.430 ( 1.873 0.903 -7.567) 7.848 2.563 ( -2.441 -1.642 -3.597) 4.647 2.577 ( 5.207 -0.446 -4.199) 6.704 2.675 ( 1.736 -0.140 -1.146) 2.085 2.687 ( 0.391 1.107 -2.594) 2.847 2.775 ( -0.138 -0.812 -0.104) 0.830 2.881 ( 3.453 -2.428 7.695) 8.777 3.130 ( 5.534 1.997 -1.923) 6.190 3.640 ( -2.783 -0.385 1.104) 3.019 3.714 ( 12.864 -0.544 -0.477) 12.885 4.011 ( -0.440 1.458 -0.189) 1.535 4.191 ( -0.810 0.041 -5.668) 5.726 4.274 ( -2.987 -0.991 3.968) 5.065 4.436 ( -9.627 2.369 0.784) 9.945 7.162 ( -9.194 0.487 9.227) 13.035 7.410 ( -14.206 -0.060 -0.117) 14.207 7.877 ( -11.178 -0.701 -1.259) 11.271 7.904 ( 5.079 -0.243 -1.333) 5.256 8.055 ( -6.225 0.082 -2.867) 6.854 8.261 ( -17.615 -0.810 -2.259) 17.778 8.462 ( 4.210 0.344 18.642) 19.114 9.062 ( -32.332 1.537 3.852) 32.597 9.255 ( -9.785 0.928 4.321) 10.737 9.513 ( -8.093 -1.096 4.971) 9.561 10.092 ( -0.743 -0.024 -2.565) 2.671 10.134 ( 0.804 -0.118 -18.271) 18.289 10.292 ( -0.833 -0.098 1.040) 1.336 10.418 ( -5.392 0.167 3.085) 6.215 10.528 ( -2.358 -0.037 -5.404) 5.896 10.784 ( -7.115 -1.199 1.599) 7.391 10.911 ( -15.797 -0.727 3.358) 16.166 11.237 ( 9.222 5.215 14.990) 18.356 11.631 ( 2.937 0.545 -4.796) 5.650 11.706 ( -14.342 3.528 15.373) 21.319 12.260 ( -2.019 -11.570 3.609) 12.287 12.918 ( -1.397 -0.503 9.813) 9.924 13.035 ( 3.074 -1.655 5.371) 6.406 13.390 ( -2.793 -0.387 -3.631) 4.597 13.583 ( 4.547 -0.479 -5.380) 7.061 14.324 ( 3.790 -9.176 -27.580) 29.312 15.063 ( 4.751 -2.458 11.892) 13.039 15.242 ( 8.374 -0.801 8.098) 11.676 15.514 ( 4.231 -2.839 -3.841) 6.381 16.102 ( 19.006 4.209 -16.766) 25.691 ======================= Grid point 146 (58/93) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 10.047 5.653) 11.528 0.777 ( 0.000 13.419 5.040) 14.335 1.136 ( 0.000 10.999 5.667) 12.373 1.214 ( 0.000 0.181 -11.339) 11.341 1.233 ( 0.000 6.429 5.502) 8.462 1.412 ( -0.000 -2.817 -1.479) 3.182 1.552 ( -0.000 -2.523 0.257) 2.536 1.603 ( -0.000 -2.534 8.756) 9.115 1.772 ( -0.000 -0.049 10.143) 10.143 1.966 ( 0.000 0.517 0.718) 0.885 2.002 ( 0.000 2.878 1.520) 3.254 2.063 ( -0.000 -3.535 1.001) 3.674 2.153 ( -0.000 -2.356 -1.873) 3.010 2.217 ( -0.000 -1.563 -5.845) 6.050 2.369 ( 0.000 0.217 -11.538) 11.540 2.387 ( -0.000 -1.808 1.439) 2.311 2.448 ( -0.000 -0.341 1.870) 1.900 2.563 ( -0.000 -4.135 -4.086) 5.813 2.595 ( 0.000 3.189 -1.232) 3.418 2.687 ( -0.000 -1.194 -6.500) 6.609 2.728 ( -0.000 -0.628 -1.949) 2.048 2.773 ( -0.000 -0.785 -2.114) 2.255 2.948 ( -0.000 -4.272 7.036) 8.231 3.162 ( 0.000 3.167 -1.398) 3.462 3.609 ( -0.000 -0.997 3.103) 3.259 3.882 ( -0.000 -0.983 -3.747) 3.874 3.996 ( 0.000 1.874 -0.518) 1.945 4.125 ( 0.000 1.814 -5.137) 5.448 4.257 ( -0.000 -1.290 2.948) 3.218 4.347 ( 0.000 1.266 1.995) 2.363 7.072 ( 0.000 0.500 8.488) 8.503 7.275 ( -0.000 -0.077 -0.472) 0.478 7.745 ( -0.000 -0.803 2.386) 2.517 7.993 ( -0.000 -0.431 -2.483) 2.521 8.038 ( -0.000 -0.214 -6.673) 6.676 8.081 ( -0.000 -0.407 -0.898) 0.987 8.523 ( 0.000 0.515 20.464) 20.470 8.710 ( 0.000 1.419 3.473) 3.752 9.028 ( 0.000 0.871 -5.646) 5.713 9.503 ( -0.000 -0.517 20.241) 20.248 10.086 ( -0.000 -0.152 -1.936) 1.942 10.144 ( -0.000 -0.016 -18.323) 18.323 10.284 ( -0.000 -0.155 0.376) 0.407 10.368 ( 0.000 0.086 2.698) 2.699 10.478 ( 0.000 0.204 -5.865) 5.869 10.751 ( -0.000 -1.959 21.554) 21.643 10.774 ( -0.000 -0.094 -7.120) 7.120 11.349 ( 0.000 7.039 33.101) 33.841 11.468 ( 0.000 0.236 1.976) 1.990 11.663 ( 0.000 0.663 -2.013) 2.119 12.325 ( -0.000 -9.117 0.742) 9.147 12.908 ( -0.000 -0.475 8.971) 8.983 13.080 ( -0.000 -2.059 5.941) 6.287 13.362 ( -0.000 -0.153 -3.852) 3.855 13.630 ( -0.000 -0.798 -5.007) 5.070 14.443 ( -0.000 -11.740 -28.004) 30.365 15.129 ( -0.000 -3.366 11.573) 12.053 15.322 ( -0.000 -0.670 7.335) 7.366 15.576 ( -0.000 -3.255 -3.784) 4.991 16.263 ( 0.000 4.360 -21.924) 22.353 ======================= Grid point 153 (59/93) ======================= q-point: (-0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -4.872 0.000 5.875) 7.632 1.178 ( 1.129 -0.000 -1.850) 2.168 1.353 ( -0.723 0.000 -3.699) 3.769 1.359 ( -1.718 0.000 -1.101) 2.040 1.387 ( 4.300 -0.000 1.841) 4.678 1.466 ( -19.562 0.000 0.095) 19.562 1.558 ( -10.016 0.000 -5.334) 11.348 1.785 ( -1.944 0.000 11.349) 11.514 1.798 ( -8.384 0.000 5.136) 9.832 1.895 ( 2.873 -0.000 0.520) 2.920 1.988 ( 2.444 -0.000 -3.738) 4.466 2.051 ( -4.348 0.000 1.442) 4.581 2.137 ( 5.019 -0.000 -0.112) 5.020 2.171 ( 3.722 -0.000 -2.426) 4.443 2.206 ( 3.817 -0.000 3.076) 4.902 2.293 ( -4.221 0.000 -0.345) 4.235 2.401 ( 2.932 -0.000 -4.361) 5.255 2.454 ( 2.706 -0.000 -1.470) 3.079 2.615 ( 3.919 -0.000 -5.306) 6.596 2.631 ( -3.514 0.000 -4.639) 5.819 2.698 ( 3.377 -0.000 2.612) 4.270 2.765 ( -1.929 0.000 0.970) 2.159 2.812 ( 2.348 -0.000 5.322) 5.816 3.023 ( 7.246 -0.000 -2.607) 7.701 3.463 ( 13.681 -0.000 2.833) 13.972 3.666 ( 1.046 -0.000 -2.964) 3.143 4.052 ( -2.612 0.000 -0.655) 2.692 4.166 ( 1.726 -0.000 -2.790) 3.281 4.348 ( -6.223 0.000 6.934) 9.317 4.668 ( -10.392 0.000 -2.177) 10.617 7.392 ( -14.959 0.000 10.959) 18.544 7.730 ( -19.352 0.000 0.377) 19.356 7.846 ( 0.569 -0.000 0.450) 0.726 7.960 ( -2.092 0.000 -5.814) 6.178 8.315 ( -3.324 0.000 13.156) 13.569 8.507 ( -23.006 0.000 4.782) 23.498 8.653 ( -26.045 0.000 -3.497) 26.279 9.195 ( 10.030 -0.000 17.470) 20.145 9.744 ( -11.109 0.000 -10.330) 15.170 9.803 ( -41.168 0.000 -1.240) 41.187 10.120 ( -3.174 0.000 -2.172) 3.846 10.122 ( -0.723 0.000 -15.934) 15.950 10.319 ( -3.227 0.000 3.279) 4.600 10.508 ( 3.337 -0.000 -0.743) 3.418 10.563 ( -10.717 0.000 4.770) 11.731 10.943 ( -6.244 0.000 5.181) 8.114 11.165 ( 2.207 -0.000 0.552) 2.275 11.316 ( -26.340 0.000 -9.018) 27.841 11.565 ( 3.753 -0.000 -10.902) 11.530 11.941 ( 13.429 -0.000 -7.651) 15.456 12.237 ( -32.493 0.000 29.144) 43.648 12.946 ( 4.750 -0.000 4.831) 6.775 12.950 ( -3.005 0.000 12.475) 12.832 13.418 ( -0.309 0.000 -4.794) 4.804 13.467 ( 7.474 -0.000 -6.275) 9.759 14.159 ( 2.325 -0.000 -23.278) 23.394 14.923 ( 7.492 -0.000 11.707) 13.899 15.001 ( 16.586 -0.000 9.448) 19.089 15.369 ( 7.735 -0.000 -3.660) 8.557 15.761 ( 22.812 -0.000 -11.138) 25.386 ======================= Grid point 155 (60/93) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -6.374 8.410 2.860) 10.933 1.072 ( -12.972 4.325 2.928) 13.984 1.217 ( -1.784 -3.211 -2.971) 4.725 1.332 ( 1.104 4.205 0.945) 4.448 1.345 ( -8.141 -2.164 -5.875) 10.271 1.386 ( -2.071 -0.714 0.370) 2.222 1.471 ( 3.236 -1.610 0.376) 3.634 1.651 ( -7.113 0.007 6.487) 9.626 1.765 ( -0.600 -0.752 12.237) 12.275 1.951 ( 2.780 -0.136 0.593) 2.846 1.997 ( -1.572 -0.668 -0.043) 1.708 2.030 ( 1.604 -0.691 -6.053) 6.300 2.145 ( -2.626 1.913 3.938) 5.106 2.200 ( 0.114 -1.741 -3.773) 4.157 2.294 ( 3.990 -0.160 -1.755) 4.362 2.313 ( 5.262 -1.658 1.389) 5.690 2.450 ( 2.217 1.395 -8.218) 8.626 2.519 ( -0.027 -2.363 -3.450) 4.182 2.586 ( 1.705 0.361 -1.645) 2.397 2.673 ( 2.506 -0.094 -3.169) 4.041 2.713 ( -1.429 2.102 -0.075) 2.543 2.751 ( -0.234 -2.047 0.588) 2.142 2.860 ( 2.785 -0.580 7.510) 8.031 3.150 ( 5.992 0.677 -2.728) 6.618 3.635 ( -3.508 -0.181 1.230) 3.722 3.709 ( 13.039 -0.200 -0.631) 13.056 4.027 ( -0.144 0.607 -0.464) 0.777 4.191 ( -0.007 -0.013 -5.575) 5.575 4.263 ( -3.128 -0.393 4.271) 5.308 4.462 ( -10.369 0.878 0.099) 10.407 7.167 ( -9.247 0.182 9.126) 12.994 7.409 ( -14.243 -0.022 -0.151) 14.244 7.869 ( -11.302 -0.267 -1.182) 11.366 7.902 ( 5.334 -0.080 -1.386) 5.512 8.056 ( -6.556 0.035 -2.861) 7.153 8.253 ( -17.421 -0.261 -2.046) 17.543 8.466 ( 4.290 0.155 18.595) 19.084 9.079 ( -33.265 0.659 3.341) 33.439 9.264 ( -10.399 0.249 3.158) 10.871 9.505 ( -6.641 -0.199 7.696) 10.168 10.093 ( -0.714 0.081 -0.900) 1.152 10.132 ( 1.098 -0.097 -21.827) 21.855 10.291 ( -0.872 -0.035 1.085) 1.393 10.420 ( -5.546 0.075 3.105) 6.356 10.528 ( -2.215 -0.012 -5.713) 6.127 10.772 ( -7.445 -0.401 2.700) 7.929 10.904 ( -15.309 -0.217 1.170) 15.356 11.297 ( 9.528 2.169 16.082) 18.818 11.637 ( 3.592 0.214 -5.417) 6.504 11.758 ( -18.702 2.570 26.858) 32.829 12.130 ( 4.239 -5.126 -9.414) 11.526 12.912 ( -1.329 -0.177 9.918) 10.009 13.016 ( 2.827 -0.704 4.999) 5.786 13.386 ( -2.439 -0.160 -3.759) 4.484 13.579 ( 4.460 -0.111 -5.530) 7.105 14.226 ( 2.904 -3.460 -28.314) 28.672 15.036 ( 4.365 -0.909 11.926) 12.732 15.232 ( 8.701 -0.340 9.158) 12.637 15.483 ( 4.251 -1.113 -3.686) 5.736 16.143 ( 17.972 1.281 -16.157) 24.201 ======================= Grid point 156 (61/93) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.000 6.813 3.633) 7.721 0.964 ( 0.000 10.613 3.875) 11.298 1.202 ( -0.000 -1.469 -7.881) 8.017 1.257 ( 0.000 3.020 -3.250) 4.437 1.315 ( 0.000 4.466 3.304) 5.555 1.387 ( 0.000 0.346 2.354) 2.380 1.515 ( -0.000 -2.071 0.883) 2.251 1.578 ( -0.000 -0.859 6.548) 6.604 1.766 ( -0.000 -0.587 11.640) 11.655 1.978 ( 0.000 0.856 -0.192) 0.878 2.003 ( -0.000 -3.591 0.964) 3.718 2.036 ( 0.000 1.516 -3.769) 4.062 2.124 ( -0.000 -1.296 3.510) 3.742 2.200 ( -0.000 -0.679 -6.044) 6.082 2.338 ( -0.000 -2.298 -3.653) 4.315 2.400 ( 0.000 1.828 -5.521) 5.815 2.442 ( -0.000 -0.390 2.838) 2.865 2.510 ( -0.000 -2.915 -6.739) 7.342 2.641 ( 0.000 2.691 -2.394) 3.602 2.670 ( -0.000 -0.922 -2.390) 2.562 2.714 ( -0.000 -1.152 -1.840) 2.171 2.752 ( -0.000 -1.619 -0.982) 1.893 2.900 ( -0.000 -1.884 8.701) 8.903 3.199 ( 0.000 1.635 -2.318) 2.836 3.596 ( -0.000 -0.614 3.109) 3.169 3.869 ( -0.000 -0.594 -3.750) 3.796 4.021 ( 0.000 1.328 -0.842) 1.573 4.147 ( 0.000 1.045 -6.452) 6.536 4.240 ( -0.000 -0.801 3.223) 3.321 4.364 ( 0.000 0.848 1.983) 2.157 7.079 ( 0.000 0.310 8.360) 8.365 7.274 ( -0.000 -0.052 -0.481) 0.483 7.735 ( -0.000 -0.495 2.504) 2.552 7.988 ( -0.000 -0.221 -2.672) 2.681 8.036 ( -0.000 -0.126 -6.865) 6.866 8.075 ( -0.000 -0.254 -0.839) 0.877 8.531 ( 0.000 0.409 20.842) 20.846 8.728 ( 0.000 0.875 3.361) 3.473 9.039 ( 0.000 0.529 -5.587) 5.612 9.504 ( 0.000 0.325 21.569) 21.571 10.086 ( 0.000 0.104 -1.080) 1.085 10.144 ( 0.000 0.030 -22.266) 22.266 10.282 ( -0.000 -0.096 0.431) 0.441 10.369 ( 0.000 0.057 2.659) 2.659 10.480 ( 0.000 0.128 -6.097) 6.098 10.731 ( -0.000 -0.794 18.760) 18.777 10.773 ( -0.000 -0.056 -6.882) 6.882 11.460 ( 0.000 6.511 38.191) 38.742 11.471 ( 0.000 0.147 1.973) 1.979 11.671 ( 0.000 0.408 -2.084) 2.123 12.207 ( -0.000 -6.262 -9.811) 11.639 12.902 ( -0.000 -0.294 9.058) 9.062 13.052 ( -0.000 -1.441 5.628) 5.809 13.360 ( -0.000 -0.095 -3.890) 3.891 13.622 ( -0.000 -0.328 -5.248) 5.258 14.296 ( -0.000 -7.149 -29.325) 30.183 15.088 ( -0.000 -1.990 11.842) 12.008 15.314 ( -0.000 -0.424 8.836) 8.846 15.534 ( -0.000 -2.075 -3.640) 4.190 16.308 ( 0.000 1.831 -19.455) 19.541 ======================= Grid point 166 (62/93) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 0.000 0.000 2.709) 2.709 1.060 ( 0.000 0.000 4.800) 4.800 1.186 ( 0.000 0.000 -5.994) 5.994 1.251 ( 0.000 0.000 -6.201) 6.201 1.360 ( 0.000 0.000 2.416) 2.416 1.399 ( 0.000 0.000 2.334) 2.334 1.498 ( 0.000 0.000 0.514) 0.514 1.572 ( 0.000 0.000 5.392) 5.392 1.760 ( 0.000 0.000 12.840) 12.840 1.971 ( 0.000 0.000 0.614) 0.614 1.988 ( 0.000 0.000 -0.825) 0.825 2.047 ( 0.000 0.000 -8.218) 8.218 2.115 ( 0.000 0.000 7.982) 7.982 2.195 ( 0.000 0.000 -5.562) 5.562 2.319 ( 0.000 0.000 -3.827) 3.827 2.421 ( 0.000 0.000 -2.920) 2.920 2.439 ( 0.000 0.000 3.093) 3.093 2.482 ( 0.000 0.000 -10.257) 10.257 2.662 ( 0.000 0.000 1.098) 1.098 2.667 ( 0.000 0.000 -3.228) 3.228 2.700 ( 0.000 0.000 -1.296) 1.296 2.738 ( 0.000 0.000 -1.260) 1.260 2.887 ( 0.000 0.000 8.674) 8.674 3.211 ( 0.000 0.000 -2.687) 2.687 3.591 ( 0.000 0.000 3.113) 3.113 3.865 ( 0.000 0.000 -3.751) 3.751 4.032 ( 0.000 0.000 -0.972) 0.972 4.155 ( 0.000 0.000 -6.763) 6.763 4.234 ( 0.000 0.000 3.307) 3.307 4.370 ( 0.000 0.000 1.890) 1.890 7.081 ( 0.000 0.000 8.309) 8.309 7.274 ( 0.000 0.000 -0.485) 0.485 7.731 ( 0.000 0.000 2.550) 2.550 7.986 ( 0.000 0.000 -2.709) 2.709 8.035 ( 0.000 0.000 -6.931) 6.931 8.073 ( 0.000 0.000 -0.815) 0.815 8.534 ( 0.000 0.000 20.987) 20.987 8.734 ( 0.000 0.000 3.318) 3.318 9.043 ( 0.000 0.000 -5.565) 5.565 9.507 ( 0.000 0.000 21.868) 21.868 10.087 ( 0.000 0.000 -0.246) 0.246 10.144 ( 0.000 0.000 -24.217) 24.217 10.282 ( 0.000 0.000 0.452) 0.452 10.370 ( 0.000 0.000 2.644) 2.644 10.481 ( 0.000 0.000 -6.186) 6.186 10.725 ( 0.000 0.000 17.761) 17.761 10.772 ( 0.000 0.000 -6.790) 6.790 11.472 ( 0.000 0.000 1.972) 1.972 11.515 ( 0.000 0.000 42.410) 42.410 11.675 ( 0.000 0.000 -2.110) 2.110 12.154 ( 0.000 0.000 -15.417) 15.417 12.900 ( 0.000 0.000 9.091) 9.091 13.041 ( 0.000 0.000 5.504) 5.504 13.360 ( 0.000 0.000 -3.905) 3.905 13.619 ( 0.000 0.000 -5.326) 5.326 14.240 ( 0.000 0.000 -29.584) 29.584 15.072 ( 0.000 0.000 11.855) 11.855 15.310 ( 0.000 0.000 9.368) 9.368 15.517 ( 0.000 0.000 -3.585) 3.585 16.321 ( 0.000 0.000 -18.782) 18.782 ======================= Grid point 214 (63/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 0.000 0.000 16.192) 16.192 0.649 ( 0.000 0.000 14.856) 14.856 0.862 ( 0.000 0.000 -7.991) 7.991 0.886 ( 0.000 0.000 -15.740) 15.740 1.351 ( 0.000 0.000 19.553) 19.553 1.488 ( 0.000 0.000 -1.923) 1.923 1.642 ( 0.000 0.000 9.952) 9.952 1.914 ( 0.000 0.000 3.560) 3.560 1.931 ( 0.000 0.000 4.443) 4.443 1.956 ( 0.000 0.000 -11.694) 11.694 1.975 ( 0.000 0.000 3.092) 3.092 2.019 ( 0.000 0.000 9.137) 9.137 2.022 ( 0.000 0.000 -9.337) 9.337 2.190 ( 0.000 0.000 1.628) 1.628 2.214 ( 0.000 0.000 -10.417) 10.417 2.303 ( 0.000 0.000 -8.092) 8.092 2.593 ( 0.000 0.000 0.575) 0.575 2.593 ( 0.000 0.000 1.028) 1.028 2.611 ( 0.000 0.000 4.946) 4.946 2.687 ( 0.000 0.000 -3.513) 3.513 2.710 ( 0.000 0.000 1.419) 1.419 2.770 ( 0.000 0.000 -3.847) 3.847 3.014 ( 0.000 0.000 -0.161) 0.161 3.015 ( 0.000 0.000 0.257) 0.257 3.721 ( 0.000 0.000 5.424) 5.424 3.826 ( 0.000 0.000 -5.811) 5.811 3.980 ( 0.000 0.000 3.164) 3.164 4.055 ( 0.000 0.000 -4.806) 4.806 4.312 ( 0.000 0.000 0.903) 0.903 4.319 ( 0.000 0.000 0.157) 0.157 7.205 ( 0.000 0.000 5.988) 5.988 7.264 ( 0.000 0.000 -1.338) 1.338 7.868 ( 0.000 0.000 8.695) 8.695 7.987 ( 0.000 0.000 -0.939) 0.939 7.995 ( 0.000 0.000 -1.417) 1.417 8.028 ( 0.000 0.000 -6.966) 6.966 8.749 ( 0.000 0.000 5.692) 5.692 8.869 ( 0.000 0.000 -7.588) 7.588 8.911 ( 0.000 0.000 23.903) 23.903 9.346 ( 0.000 0.000 -23.345) 23.345 10.081 ( 0.000 0.000 -1.200) 1.200 10.083 ( 0.000 0.000 -0.860) 0.860 10.309 ( 0.000 0.000 2.157) 2.157 10.372 ( 0.000 0.000 -4.885) 4.885 10.448 ( 0.000 0.000 6.620) 6.620 10.603 ( 0.000 0.000 -10.149) 10.149 11.145 ( 0.000 0.000 16.714) 16.714 11.416 ( 0.000 0.000 -13.105) 13.105 11.520 ( 0.000 0.000 4.168) 4.168 11.592 ( 0.000 0.000 -3.537) 3.537 13.104 ( 0.000 0.000 10.163) 10.163 13.266 ( 0.000 0.000 -7.473) 7.473 13.295 ( 0.000 0.000 10.048) 10.048 13.480 ( 0.000 0.000 -10.053) 10.053 14.199 ( 0.000 0.000 6.627) 6.627 14.318 ( 0.000 0.000 -6.327) 6.327 15.296 ( 0.000 0.000 0.212) 0.212 15.299 ( 0.000 0.000 -0.123) 0.123 15.477 ( 0.000 0.000 6.691) 6.691 15.596 ( 0.000 0.000 -6.125) 6.125 ======================= Grid point 215 (64/93) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 6.765 -0.839 13.085) 14.755 0.817 ( 14.206 -1.883 8.901) 16.870 0.939 ( 10.002 -1.349 -5.839) 11.660 1.050 ( 13.935 -1.303 -11.899) 18.370 1.425 ( 8.263 0.117 14.220) 16.447 1.496 ( 2.150 0.961 -0.741) 2.469 1.634 ( -0.609 -0.736 13.024) 13.059 1.893 ( -0.390 1.670 5.630) 5.885 1.925 ( -2.452 0.326 -6.790) 7.226 1.958 ( 1.128 -1.170 3.520) 3.877 1.989 ( -0.050 -0.599 -0.001) 0.601 2.014 ( 1.981 1.868 4.363) 5.143 2.061 ( 2.636 -2.190 -11.457) 11.958 2.192 ( -2.103 0.161 -9.309) 9.545 2.227 ( 2.959 0.195 1.798) 3.468 2.321 ( 0.913 -1.062 -6.205) 6.361 2.508 ( -6.602 -0.232 4.711) 8.114 2.583 ( -0.334 1.480 0.292) 1.545 2.591 ( -5.168 0.874 -1.748) 5.525 2.620 ( -1.019 -0.512 -1.419) 1.821 2.739 ( 0.241 2.217 0.882) 2.398 2.778 ( 1.128 2.428 -2.795) 3.871 2.993 ( -2.457 -0.962 0.932) 2.799 3.005 ( -2.045 -2.002 -0.232) 2.872 3.684 ( -3.823 0.218 2.365) 4.500 3.726 ( -9.147 0.330 -2.111) 9.393 4.000 ( 1.868 -0.154 4.101) 4.509 4.093 ( 2.807 0.101 -5.702) 6.356 4.341 ( 3.192 -0.327 1.246) 3.443 4.350 ( 3.697 -0.766 0.294) 3.787 7.314 ( 11.289 -0.098 7.855) 13.753 7.398 ( 13.906 0.019 -2.124) 14.067 7.891 ( 0.918 0.224 -0.022) 0.945 7.906 ( -3.850 0.266 -1.231) 4.051 8.089 ( 13.947 0.171 5.982) 15.177 8.221 ( 16.380 0.402 -7.155) 17.880 8.843 ( -1.570 0.023 23.797) 23.849 9.112 ( 30.413 -0.264 6.561) 31.114 9.199 ( 29.040 0.094 -6.721) 29.808 9.311 ( -3.910 -0.204 -22.415) 22.755 10.054 ( -2.186 0.369 -0.225) 2.228 10.077 ( -0.578 0.002 -1.974) 2.057 10.328 ( 2.177 0.038 2.894) 3.622 10.412 ( 4.240 0.095 -6.546) 7.799 10.513 ( 6.930 -0.007 7.906) 10.513 10.687 ( 8.803 -0.002 -10.410) 13.633 11.142 ( -0.834 -1.668 13.945) 14.070 11.331 ( -11.222 4.389 1.256) 12.115 11.413 ( -7.403 -5.967 -5.102) 10.791 11.513 ( -8.092 -0.475 -7.246) 10.873 13.128 ( 2.607 0.293 9.832) 10.176 13.227 ( -3.088 0.633 3.944) 5.049 13.334 ( 3.129 0.333 -0.669) 3.217 13.465 ( -1.464 1.636 -9.781) 10.024 14.059 ( 1.492 26.254 14.203) 29.887 14.312 ( -3.599 0.109 -14.459) 14.901 15.238 ( -6.185 -2.484 2.895) 7.267 15.292 ( -7.342 -10.277 -3.324) 13.060 15.405 ( -7.524 0.355 7.845) 10.875 15.541 ( -5.681 0.480 -6.865) 8.923 ======================= Grid point 216 (65/93) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 9.266 -0.642 9.907) 13.580 0.996 ( 7.880 -1.206 -2.078) 8.238 1.197 ( 11.929 -1.770 2.923) 12.409 1.259 ( 6.851 -1.089 -4.050) 8.032 1.565 ( 2.549 1.498 -0.037) 2.957 1.582 ( 8.736 0.784 -1.496) 8.898 1.715 ( 11.312 -0.840 17.219) 20.620 1.878 ( -1.883 0.367 -0.839) 2.094 1.891 ( 1.184 0.189 5.562) 5.690 1.965 ( -1.179 -0.291 1.628) 2.031 1.989 ( -0.541 -1.329 0.453) 1.505 2.048 ( 2.502 1.698 2.349) 3.829 2.133 ( 0.742 0.536 -11.334) 11.371 2.164 ( 2.897 -0.112 -12.262) 12.600 2.260 ( 0.790 0.752 3.400) 3.571 2.322 ( -1.628 0.550 -1.849) 2.524 2.400 ( -4.867 -1.403 3.037) 5.906 2.486 ( -5.978 -0.327 -5.543) 8.158 2.581 ( -0.158 1.847 0.802) 2.019 2.603 ( 0.996 1.763 -1.737) 2.668 2.699 ( -1.909 1.654 2.316) 3.427 2.751 ( -1.672 2.852 -2.820) 4.345 2.954 ( -2.117 -0.525 2.332) 3.193 2.976 ( -2.297 -0.872 -0.114) 2.460 3.539 ( -10.543 0.293 3.244) 11.035 3.597 ( -5.848 -0.260 -3.123) 6.635 4.036 ( 1.662 -0.577 4.008) 4.378 4.122 ( 0.526 -0.079 -5.072) 5.100 4.432 ( 6.116 -0.869 2.643) 6.719 4.465 ( 7.034 -2.479 -0.977) 7.522 7.572 ( 16.079 -0.482 10.769) 19.358 7.705 ( 18.151 -0.223 -3.842) 18.555 7.871 ( 0.542 0.378 1.310) 1.467 7.913 ( 2.364 0.494 -3.366) 4.143 8.466 ( 25.429 -0.131 6.450) 26.235 8.598 ( 25.440 0.546 -7.451) 26.515 8.784 ( -2.391 0.293 24.851) 24.967 9.208 ( -7.276 -0.271 -15.467) 17.095 9.655 ( 18.114 0.520 4.328) 18.631 9.745 ( 32.882 -0.149 -1.858) 32.934 10.032 ( 1.161 0.237 -1.344) 1.792 10.067 ( -0.502 -0.098 -4.511) 4.540 10.396 ( 5.961 0.184 4.618) 7.542 10.492 ( 2.875 0.508 -4.964) 5.759 10.686 ( 12.168 -0.109 11.002) 16.405 10.884 ( 11.336 -0.139 -9.177) 14.586 11.068 ( -10.377 -1.736 13.620) 17.211 11.204 ( 6.020 1.461 -4.255) 7.515 11.328 ( -6.134 -3.251 -8.450) 10.936 11.376 ( -6.107 -4.626 -11.607) 13.908 13.138 ( -6.001 1.156 8.774) 10.693 13.180 ( 2.315 0.839 7.069) 7.486 13.381 ( 1.521 1.220 -3.644) 4.133 13.386 ( -5.484 0.852 -5.902) 8.101 13.950 ( 8.057 23.015 12.174) 27.255 14.212 ( -2.333 8.296 -16.206) 18.355 15.101 ( -11.880 -3.549 4.224) 13.098 15.179 ( -13.583 -9.491 -4.324) 17.125 15.222 ( -11.490 0.899 10.291) 15.451 15.397 ( -9.340 1.203 -8.534) 12.709 ======================= Grid point 217 (66/93) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 9.079 -0.573 6.918) 11.428 1.149 ( 8.019 -1.124 -4.254) 9.147 1.309 ( 3.013 1.332 5.555) 6.459 1.410 ( 8.245 -0.750 -2.207) 8.568 1.577 ( 1.115 0.050 7.210) 7.296 1.722 ( 5.887 -1.041 -5.852) 8.366 1.832 ( 1.024 1.685 1.653) 2.573 1.853 ( -0.465 0.132 -0.208) 0.526 1.927 ( -2.507 -0.857 4.179) 4.948 1.953 ( -1.541 0.131 1.879) 2.434 2.002 ( 4.909 -0.436 5.560) 7.430 2.049 ( -1.650 2.667 0.364) 3.157 2.106 ( -2.228 0.394 -4.372) 4.923 2.190 ( -1.616 3.903 -7.705) 8.787 2.223 ( -3.797 0.707 3.104) 4.955 2.317 ( -0.401 0.382 -4.264) 4.300 2.389 ( 0.974 -0.430 -1.054) 1.498 2.401 ( 1.667 -1.120 -2.638) 3.316 2.563 ( 0.092 0.372 1.338) 1.392 2.606 ( 0.024 0.034 -2.824) 2.824 2.681 ( 0.937 2.576 2.258) 3.551 2.719 ( 0.943 1.156 -1.506) 2.120 2.927 ( -0.851 0.674 2.324) 2.565 2.948 ( -0.153 0.682 -0.152) 0.715 3.350 ( -10.197 -0.003 7.199) 12.483 3.483 ( -7.093 -0.305 -7.117) 10.053 4.068 ( 1.351 -0.752 2.338) 2.803 4.126 ( 0.034 -0.052 -3.715) 3.715 4.555 ( 6.171 -1.271 4.149) 7.544 4.612 ( 6.195 -3.533 -2.075) 7.427 7.848 ( 10.308 -1.229 6.436) 12.215 7.883 ( 4.153 -1.148 1.149) 4.459 7.991 ( 9.104 1.015 0.803) 9.196 8.039 ( 15.022 0.017 -1.766) 15.126 8.631 ( -4.169 1.195 22.941) 23.347 8.981 ( 0.741 0.728 -11.537) 11.584 9.086 ( 29.488 -1.039 4.548) 29.855 9.168 ( 20.221 -0.062 0.711) 20.234 9.837 ( 5.829 0.903 6.230) 8.579 10.060 ( 0.124 -0.067 -7.932) 7.933 10.098 ( 6.221 -0.173 -1.196) 6.337 10.131 ( 8.918 -0.503 -7.381) 11.588 10.457 ( -4.996 0.817 0.540) 5.091 10.481 ( -0.044 0.734 -2.758) 2.854 10.875 ( -9.908 -3.597 5.709) 11.987 10.908 ( 3.189 -2.801 0.388) 4.262 11.163 ( 15.857 -0.196 -0.661) 15.872 11.286 ( 6.462 -3.412 -4.125) 8.392 11.367 ( 13.809 -0.904 -0.718) 13.857 11.538 ( 18.694 -0.815 -12.082) 22.273 12.976 ( -11.369 0.687 8.483) 14.202 13.109 ( -11.761 0.571 -4.718) 12.685 13.316 ( 2.373 2.721 6.443) 7.386 13.388 ( 0.381 2.413 -0.795) 2.569 13.998 ( 12.728 15.490 4.539) 20.556 14.147 ( 2.764 8.653 -10.843) 14.146 14.865 ( -16.377 -1.905 5.689) 17.441 14.961 ( -16.052 -5.762 -3.269) 17.366 15.005 ( -12.158 -0.469 9.656) 15.533 15.199 ( -11.285 1.296 -9.666) 14.915 ======================= Grid point 218 (67/93) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 5.188 -1.233 4.928) 7.261 1.286 ( 5.446 -1.168 -5.431) 7.779 1.364 ( 5.669 1.914 8.238) 10.182 1.510 ( 3.690 2.578 -7.219) 8.508 1.637 ( 4.249 -2.097 12.778) 13.629 1.810 ( 2.340 -0.736 -4.280) 4.933 1.815 ( -1.448 1.040 1.937) 2.632 1.842 ( -1.182 0.740 -0.789) 1.602 1.857 ( -3.965 -0.145 4.940) 6.336 1.906 ( -2.995 -1.534 0.388) 3.388 1.955 ( -4.400 2.356 -1.536) 5.222 2.023 ( -4.483 1.019 -5.914) 7.490 2.081 ( 3.167 1.194 0.469) 3.417 2.123 ( -2.654 0.886 2.961) 4.074 2.145 ( -2.998 2.100 -3.688) 5.196 2.238 ( -5.802 -0.511 -6.958) 9.074 2.440 ( 3.611 -0.401 3.561) 5.087 2.514 ( 4.992 -0.801 -3.762) 6.302 2.588 ( 2.866 0.646 3.407) 4.498 2.640 ( 3.001 0.475 -1.842) 3.553 2.680 ( 0.825 -0.175 3.494) 3.594 2.721 ( -1.487 0.285 -0.613) 1.634 2.920 ( 1.230 1.137 3.439) 3.825 2.983 ( 4.266 1.293 -3.513) 5.676 3.183 ( -7.541 0.047 8.898) 11.664 3.348 ( -7.847 -0.156 -8.837) 11.819 4.095 ( 0.954 -0.603 0.569) 1.264 4.126 ( -0.017 0.106 -2.620) 2.623 4.655 ( 3.656 -0.959 5.097) 6.346 4.725 ( 3.447 -2.532 -2.536) 4.973 7.934 ( 3.097 -0.579 2.085) 3.778 7.972 ( 2.556 -0.827 -1.867) 3.271 8.242 ( 14.724 -0.438 6.084) 15.938 8.267 ( 10.685 -1.085 2.599) 11.050 8.530 ( -4.829 2.044 21.398) 22.032 8.804 ( -12.680 0.624 -3.220) 13.097 9.591 ( 21.624 -0.201 7.058) 22.748 9.637 ( 23.227 -0.006 2.075) 23.319 9.947 ( 8.837 1.364 -6.068) 10.806 10.070 ( 1.041 -0.362 -12.261) 12.310 10.196 ( 4.992 -0.125 -0.477) 5.017 10.234 ( 3.758 -0.354 -4.476) 5.855 10.358 ( -4.047 0.058 0.175) 4.051 10.399 ( -5.844 0.356 -6.084) 8.443 10.687 ( -13.227 -2.392 4.326) 14.121 10.768 ( -16.151 -3.798 -4.797) 17.271 11.468 ( 15.000 -0.556 -3.575) 15.430 11.489 ( 12.084 -0.680 -5.311) 13.217 11.809 ( 25.068 -1.399 3.448) 25.343 11.878 ( 16.635 -0.830 -3.831) 17.090 12.731 ( -14.112 0.414 4.763) 14.900 12.834 ( -16.193 1.020 -6.055) 17.318 13.364 ( 3.755 2.470 6.169) 7.633 13.388 ( 2.124 1.795 3.712) 4.638 14.141 ( 12.262 8.691 0.074) 15.030 14.165 ( 4.332 5.549 -1.495) 7.197 14.575 ( -15.008 0.044 8.222) 17.112 14.717 ( -14.681 -4.304 -7.518) 17.046 14.827 ( -6.594 -0.810 7.897) 10.320 14.989 ( -10.591 0.765 -8.895) 13.852 ======================= Grid point 219 (68/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -0.000 -0.000 5.619) 5.619 1.339 ( 0.000 -0.000 -5.405) 5.405 1.471 ( -0.000 0.000 4.010) 4.010 1.499 ( 0.000 -0.000 1.108) 1.108 1.704 ( 0.000 -0.000 9.245) 9.245 1.774 ( 0.000 -0.000 -1.478) 1.478 1.805 ( 0.000 0.000 -2.537) 2.537 1.806 ( -0.000 -0.000 6.696) 6.696 1.835 ( -0.000 -0.000 -0.681) 0.681 1.889 ( 0.000 -0.000 0.194) 0.194 1.919 ( -0.000 -0.000 0.049) 0.049 1.976 ( -0.000 -0.000 -6.959) 6.959 2.085 ( 0.000 -0.000 1.882) 1.882 2.104 ( 0.000 0.000 -2.594) 2.594 2.144 ( 0.000 -0.000 -3.944) 3.944 2.151 ( 0.000 -0.000 -5.725) 5.725 2.478 ( 0.000 -0.000 3.951) 3.951 2.560 ( 0.000 -0.000 -4.350) 4.350 2.639 ( -0.000 0.000 4.117) 4.117 2.653 ( 0.000 -0.000 1.676) 1.676 2.674 ( 0.000 0.000 1.691) 1.691 2.715 ( -0.000 -0.000 -1.600) 1.600 2.962 ( -0.000 -0.000 4.537) 4.537 2.982 ( 0.000 -0.000 4.620) 4.620 3.146 ( -0.000 -0.000 -0.431) 0.431 3.243 ( 0.000 -0.000 -8.483) 8.483 4.107 ( 0.000 -0.000 -0.346) 0.346 4.124 ( 0.000 -0.000 -2.010) 2.010 4.693 ( 0.000 -0.000 5.424) 5.424 4.767 ( 0.000 -0.000 -2.668) 2.668 7.970 ( 0.000 -0.000 1.262) 1.262 7.996 ( 0.000 -0.000 -1.553) 1.553 8.374 ( 0.000 -0.000 12.175) 12.175 8.431 ( 0.000 -0.000 6.129) 6.129 8.551 ( -0.000 -0.000 5.746) 5.746 8.553 ( 0.000 -0.000 6.489) 6.489 9.778 ( 0.000 -0.000 9.486) 9.486 9.864 ( 0.000 -0.000 4.225) 4.225 10.075 ( 0.000 -0.000 -14.819) 14.819 10.090 ( -0.000 -0.000 -19.449) 19.449 10.246 ( 0.000 -0.000 -0.818) 0.818 10.262 ( 0.000 -0.000 -2.529) 2.529 10.375 ( 0.000 0.000 1.138) 1.138 10.391 ( 0.000 -0.000 -0.810) 0.810 10.507 ( 0.000 -0.000 0.142) 0.142 10.532 ( -0.000 -0.000 -2.456) 2.456 11.620 ( -0.000 -0.000 -4.030) 4.030 11.627 ( 0.000 -0.000 -4.784) 4.784 12.055 ( 0.000 -0.000 3.741) 3.741 12.094 ( 0.000 -0.000 -0.267) 0.267 12.597 ( -0.000 0.000 -3.150) 3.150 12.598 ( 0.000 -0.000 -3.428) 3.428 13.395 ( 0.000 -0.000 6.202) 6.202 13.410 ( 0.000 -0.000 4.750) 4.750 14.184 ( 0.000 -0.000 6.211) 6.211 14.247 ( 0.000 -0.000 0.818) 0.818 14.421 ( 0.000 -0.000 6.403) 6.403 14.565 ( 0.000 -0.000 -6.885) 6.885 14.800 ( -0.000 -0.000 -0.596) 0.596 14.854 ( 0.000 -0.000 -5.518) 5.518 ======================= Grid point 226 (69/93) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 9.687 -0.000 9.895) 13.847 0.987 ( 8.236 -0.000 -1.199) 8.322 1.183 ( 13.133 -0.000 2.729) 13.413 1.250 ( 7.079 -0.000 -4.617) 8.452 1.578 ( 1.971 -0.000 -0.318) 1.996 1.590 ( 7.520 -0.000 -1.616) 7.692 1.706 ( 13.339 -0.000 19.538) 23.658 1.883 ( -2.013 0.000 -2.195) 2.979 1.892 ( 0.250 -0.000 6.583) 6.588 1.959 ( -1.875 0.000 3.130) 3.648 1.979 ( 0.860 -0.000 0.636) 1.070 2.065 ( 2.507 -0.000 0.410) 2.541 2.136 ( 0.205 -0.000 -10.548) 10.550 2.162 ( 4.394 -0.000 -13.855) 14.535 2.267 ( 0.560 -0.000 2.455) 2.519 2.326 ( 0.054 -0.000 -2.528) 2.529 2.388 ( -5.691 0.000 4.746) 7.410 2.484 ( -6.213 0.000 -5.593) 8.360 2.598 ( -1.296 0.000 -0.109) 1.301 2.607 ( 0.606 -0.000 -1.079) 1.237 2.721 ( -1.360 0.000 2.939) 3.238 2.779 ( -2.192 0.000 -2.987) 3.705 2.948 ( -1.709 0.000 2.021) 2.647 2.966 ( -1.411 0.000 0.059) 1.413 3.542 ( -10.825 0.000 3.031) 11.241 3.594 ( -5.909 0.000 -2.840) 6.556 4.031 ( 1.554 -0.000 4.215) 4.492 4.121 ( 0.456 -0.000 -5.276) 5.296 4.426 ( 6.149 -0.000 1.769) 6.399 4.445 ( 6.547 -0.000 -0.211) 6.550 7.568 ( 15.855 -0.000 10.822) 19.196 7.704 ( 17.833 -0.000 -3.982) 18.272 7.874 ( 0.594 -0.000 1.351) 1.476 7.917 ( 2.423 -0.000 -3.378) 4.158 8.465 ( 25.357 -0.000 6.634) 26.210 8.602 ( 25.366 -0.000 -7.821) 26.545 8.787 ( -2.383 0.000 24.935) 25.048 9.206 ( -7.189 0.000 -14.873) 16.520 9.659 ( 17.943 -0.000 3.915) 18.365 9.744 ( 33.072 -0.000 -1.476) 33.105 10.034 ( 0.911 -0.000 -1.625) 1.863 10.066 ( -0.574 0.000 -4.618) 4.654 10.398 ( 6.084 -0.000 4.678) 7.675 10.496 ( 3.057 -0.000 -5.160) 5.998 10.685 ( 12.031 -0.000 11.149) 16.403 10.883 ( 10.953 -0.000 -9.292) 14.364 11.052 ( -9.413 0.000 15.353) 18.008 11.250 ( 7.346 -0.000 -5.622) 9.250 11.258 ( -7.038 0.000 -7.311) 10.148 11.352 ( -7.274 0.000 -13.312) 15.170 13.147 ( -6.513 0.000 8.807) 10.954 13.185 ( 2.529 -0.000 7.471) 7.887 13.389 ( 2.557 -0.000 -3.698) 4.496 13.393 ( -6.218 0.000 -6.146) 8.743 14.200 ( 2.118 -0.000 -1.873) 2.828 14.232 ( -2.373 0.000 -4.783) 5.339 15.072 ( -11.283 0.000 1.495) 11.382 15.085 ( -11.244 0.000 0.108) 11.244 15.230 ( -11.694 0.000 10.269) 15.563 15.406 ( -9.374 0.000 -8.763) 12.832 ======================= Grid point 227 (70/93) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 8.899 -0.088 6.635) 11.101 1.137 ( 8.157 -0.384 -3.618) 8.932 1.329 ( 3.677 1.003 4.707) 6.057 1.393 ( 10.054 -0.984 2.391) 10.381 1.583 ( 0.255 0.392 3.732) 3.761 1.711 ( 5.269 -0.344 -6.338) 8.249 1.849 ( 0.887 0.578 0.884) 1.380 1.857 ( -0.664 0.253 0.052) 0.712 1.908 ( -2.318 -1.040 5.458) 6.020 1.953 ( -3.627 -0.058 -0.242) 3.636 1.995 ( 6.958 -0.243 8.271) 10.811 2.088 ( -0.858 1.985 -0.897) 2.341 2.108 ( -1.764 -0.426 -3.733) 4.151 2.217 ( -4.915 0.305 4.686) 6.798 2.245 ( -0.007 1.364 -9.786) 9.881 2.320 ( -1.911 0.033 -3.803) 4.256 2.385 ( 4.503 -0.124 -1.893) 4.887 2.389 ( -0.166 -0.444 -2.592) 2.635 2.572 ( -0.312 0.794 1.203) 1.475 2.592 ( -1.046 -1.205 -0.665) 1.729 2.723 ( -1.659 1.921 0.684) 2.629 2.741 ( 1.943 1.192 -1.190) 2.571 2.932 ( -0.369 0.043 2.396) 2.424 2.954 ( 0.724 0.163 -0.336) 0.815 3.350 ( -10.314 -0.029 6.989) 12.459 3.478 ( -7.053 -0.197 -6.916) 9.880 4.058 ( 1.293 -0.443 2.809) 3.124 4.123 ( -0.004 -0.149 -4.134) 4.137 4.546 ( 6.686 0.098 2.105) 7.011 4.568 ( 6.169 -2.036 -0.304) 6.503 7.835 ( 11.299 -0.462 6.417) 13.002 7.870 ( 3.005 -0.502 0.603) 3.106 8.002 ( 8.794 0.372 0.711) 8.830 8.040 ( 14.460 0.051 -1.427) 14.530 8.644 ( -3.689 0.455 23.034) 23.332 8.991 ( -0.920 0.508 -11.800) 11.846 9.072 ( 30.294 -0.590 6.190) 30.926 9.167 ( 21.092 -0.020 0.575) 21.100 9.847 ( 6.067 0.333 5.896) 8.467 10.058 ( -0.100 -0.083 -6.451) 6.452 10.098 ( 5.464 0.104 -1.904) 5.787 10.124 ( 9.547 -0.347 -8.349) 12.687 10.467 ( -5.282 0.395 0.552) 5.325 10.489 ( 0.170 0.296 -2.675) 2.696 10.837 ( -9.819 -1.299 5.380) 11.272 10.875 ( 0.362 -1.264 -0.182) 1.328 11.165 ( 15.920 0.249 -1.330) 15.977 11.248 ( 10.801 -1.452 0.845) 10.931 11.358 ( 12.221 -0.284 -3.170) 12.629 11.529 ( 19.571 -0.349 -12.824) 23.401 12.984 ( -11.676 0.283 8.610) 14.510 13.115 ( -11.643 0.235 -4.411) 12.453 13.341 ( 2.310 0.782 6.252) 6.711 13.413 ( 0.416 0.834 -0.940) 1.324 14.190 ( 4.403 8.000 -1.023) 9.188 14.251 ( 3.313 4.111 -7.460) 9.140 14.839 ( -14.879 -0.868 2.521) 15.116 14.871 ( -14.573 -4.667 -0.730) 15.319 15.004 ( -12.738 -0.002 12.003) 17.502 15.213 ( -11.608 0.496 -10.291) 15.521 ======================= Grid point 228 (71/93) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 5.300 -0.599 4.959) 7.283 1.272 ( 5.836 -0.631 -5.303) 7.910 1.394 ( 5.206 1.735 8.517) 10.132 1.544 ( 4.605 1.597 -6.982) 8.514 1.608 ( 3.714 -1.458 12.665) 13.279 1.794 ( 3.312 -0.848 -6.780) 7.593 1.832 ( -2.567 0.849 1.817) 3.258 1.844 ( -2.212 -0.246 1.411) 2.635 1.853 ( -3.008 -0.293 2.950) 4.224 1.880 ( -3.180 -1.639 0.847) 3.677 1.990 ( -6.361 1.970 -1.728) 6.880 2.024 ( -4.290 -0.343 -4.326) 6.103 2.103 ( 2.875 1.257 1.999) 3.720 2.127 ( -4.048 -0.034 4.831) 6.302 2.189 ( -2.889 2.713 -6.495) 7.609 2.233 ( -5.759 -0.262 -6.629) 8.785 2.439 ( 4.232 0.180 2.913) 5.141 2.505 ( 4.794 -0.394 -4.098) 6.319 2.598 ( 2.993 0.534 3.128) 4.362 2.637 ( 4.784 -0.539 -0.912) 4.900 2.683 ( -1.348 0.412 4.042) 4.281 2.734 ( -2.252 1.162 -0.980) 2.717 2.933 ( 1.066 0.587 3.622) 3.821 3.003 ( 3.994 1.123 -4.028) 5.783 3.183 ( -7.210 0.031 8.581) 11.208 3.344 ( -8.048 -0.347 -8.580) 11.769 4.084 ( 1.000 -0.725 1.196) 1.720 4.125 ( -0.026 -0.170 -3.192) 3.197 4.647 ( 4.278 -0.123 3.447) 5.495 4.689 ( 5.034 -2.100 -1.167) 5.578 7.926 ( 3.272 -0.374 1.766) 3.737 7.958 ( 3.023 -0.917 -1.389) 3.450 8.239 ( 14.450 -0.093 4.617) 15.170 8.253 ( 9.682 -0.641 2.802) 10.099 8.556 ( -4.643 1.233 21.873) 22.394 8.812 ( -12.593 0.384 -1.405) 12.677 9.590 ( 23.186 -0.011 7.012) 24.223 9.637 ( 22.530 -0.018 2.413) 22.658 9.965 ( 9.132 0.992 -7.222) 11.685 10.065 ( 0.845 -0.324 -11.759) 11.794 10.194 ( 5.458 -0.080 -0.971) 5.545 10.228 ( 3.836 -0.385 -4.344) 5.808 10.359 ( -4.852 0.096 0.225) 4.858 10.404 ( -6.479 0.315 -6.231) 8.995 10.657 ( -11.463 -1.410 3.341) 12.023 10.719 ( -14.481 -2.417 -3.657) 15.130 11.463 ( 15.143 -0.097 -3.952) 15.651 11.481 ( 12.622 -0.407 -5.030) 13.593 11.790 ( 25.638 -0.983 3.818) 25.939 11.866 ( 16.306 -0.602 -4.198) 16.849 12.737 ( -14.313 0.319 5.251) 15.249 12.847 ( -16.069 0.636 -6.281) 17.264 13.391 ( 2.617 1.083 6.488) 7.080 13.410 ( 0.680 1.068 4.141) 4.331 14.219 ( 2.053 3.695 3.186) 5.293 14.291 ( 5.703 7.842 -4.748) 10.796 14.571 ( -14.021 -0.181 3.715) 14.505 14.647 ( -13.304 -4.644 -4.597) 14.823 14.817 ( -6.495 -0.636 9.258) 11.327 14.999 ( -10.959 0.595 -9.799) 14.713 ======================= Grid point 229 (72/93) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 1.182 -0.142 5.563) 5.689 1.337 ( 0.892 -0.156 -5.458) 5.533 1.479 ( 1.609 0.873 4.045) 4.440 1.506 ( -4.938 0.855 1.096) 5.130 1.696 ( 2.249 -0.711 6.926) 7.316 1.766 ( -3.777 -2.807 -0.963) 4.803 1.778 ( -2.509 0.337 0.784) 2.650 1.818 ( 0.841 -0.765 4.765) 4.899 1.839 ( 1.049 0.897 -0.921) 1.659 1.880 ( 0.697 -0.928 0.227) 1.182 1.922 ( -0.266 0.239 0.286) 0.458 1.973 ( -1.179 -0.270 -7.015) 7.118 2.079 ( -0.096 -0.485 1.576) 1.651 2.123 ( -1.930 1.286 -3.099) 3.871 2.139 ( -3.588 0.373 -3.379) 4.942 2.167 ( 3.800 1.397 -5.009) 6.440 2.487 ( 0.966 1.010 3.789) 4.038 2.561 ( 1.303 0.007 -3.505) 3.739 2.637 ( 0.172 -0.130 3.833) 3.839 2.657 ( -4.558 0.477 1.388) 4.788 2.669 ( 1.109 -0.717 2.084) 2.468 2.720 ( 2.166 0.594 -1.981) 2.994 2.964 ( -3.049 0.141 4.898) 5.771 2.981 ( 0.872 -0.053 4.728) 4.808 3.156 ( -0.707 1.221 -1.492) 2.053 3.235 ( 0.377 -1.020 -7.982) 8.056 4.102 ( 0.367 -0.594 -0.071) 0.702 4.123 ( -0.317 -0.162 -2.337) 2.364 4.695 ( 0.946 0.238 5.210) 5.300 4.765 ( 2.145 -0.194 -2.505) 3.304 7.970 ( 0.517 -0.036 1.001) 1.127 7.991 ( 0.360 -0.661 -1.290) 1.494 8.370 ( 3.749 -0.415 12.062) 12.638 8.434 ( -1.997 0.375 5.508) 5.871 8.546 ( 12.315 -0.291 7.122) 14.229 8.560 ( -14.873 0.451 5.737) 15.947 9.786 ( -0.259 0.984 9.231) 9.287 9.858 ( 0.016 -0.785 4.715) 4.780 10.068 ( -3.154 -0.591 -15.344) 15.676 10.099 ( 1.437 0.811 -19.020) 19.091 10.247 ( -0.157 0.109 -1.004) 1.022 10.261 ( -0.771 -0.171 -2.413) 2.539 10.374 ( 0.184 -0.086 1.173) 1.190 10.392 ( -0.089 0.048 -0.804) 0.810 10.507 ( 1.354 -0.045 0.159) 1.364 10.533 ( 6.414 0.066 -2.505) 6.886 11.620 ( 0.251 0.030 -3.976) 3.985 11.629 ( 1.070 0.167 -4.772) 4.893 12.056 ( 1.385 0.214 3.288) 3.575 12.088 ( 1.454 -0.725 0.042) 1.625 12.589 ( 3.488 -0.419 -2.442) 4.279 12.608 ( -5.657 0.620 -4.051) 6.985 13.392 ( -2.504 -0.260 6.011) 6.516 13.408 ( -1.630 -0.269 4.596) 4.883 14.190 ( -4.211 0.366 6.923) 8.111 14.239 ( -9.186 -0.471 1.213) 9.277 14.404 ( -2.260 -1.974 8.094) 8.633 14.586 ( 6.925 2.167 -9.957) 12.320 14.802 ( 1.967 0.308 -0.101) 1.993 14.857 ( -1.213 0.297 -5.361) 5.504 ======================= Grid point 230 (73/93) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -4.256 1.836 4.558) 6.501 1.303 ( -4.315 0.788 -4.458) 6.254 1.345 ( -6.736 -0.196 5.946) 8.987 1.471 ( -4.375 -2.455 -6.722) 8.388 1.661 ( -3.814 0.673 12.983) 13.548 1.787 ( 0.604 -2.071 2.633) 3.403 1.807 ( 3.829 -2.403 0.434) 4.541 1.833 ( -1.692 0.302 -2.238) 2.822 1.860 ( 0.917 0.416 2.201) 2.420 1.919 ( 2.487 -0.104 -0.696) 2.585 1.925 ( 2.796 -1.517 -2.057) 3.788 1.988 ( 2.084 -2.581 -6.944) 7.696 2.077 ( -1.914 0.406 0.127) 1.961 2.113 ( 0.545 0.204 -1.429) 1.543 2.132 ( 4.414 -0.385 2.934) 5.314 2.247 ( 5.321 0.601 -7.491) 9.208 2.454 ( -3.120 1.501 4.251) 5.483 2.529 ( -5.542 1.202 -2.209) 6.086 2.581 ( -1.733 -0.402 1.770) 2.510 2.622 ( -2.557 -1.490 -0.714) 3.044 2.687 ( -1.114 0.434 2.577) 2.841 2.728 ( 0.872 1.160 -0.962) 1.741 2.899 ( -1.833 -1.581 3.676) 4.402 2.967 ( -4.734 -0.787 -3.680) 6.048 3.182 ( 7.462 -0.049 8.895) 11.610 3.348 ( 7.798 -0.202 -8.873) 11.814 4.100 ( -0.810 0.109 -0.079) 0.821 4.121 ( -0.113 -0.515 -2.133) 2.197 4.673 ( -2.812 1.224 6.243) 6.956 4.761 ( -1.882 2.087 -3.441) 4.443 7.942 ( -2.860 0.349 1.979) 3.496 7.980 ( -2.043 0.162 -2.090) 2.927 8.252 ( -15.809 0.769 7.913) 17.695 8.285 ( -11.032 1.252 2.712) 11.429 8.498 ( 5.149 -2.121 20.482) 21.226 8.794 ( 12.919 -0.669 -5.613) 14.102 9.596 ( -20.650 0.516 6.760) 21.734 9.636 ( -23.377 -0.123 2.031) 23.466 9.927 ( -8.790 -1.237 -4.577) 9.987 10.076 ( -1.176 0.373 -12.323) 12.384 10.198 ( -4.494 0.045 -0.307) 4.505 10.237 ( -3.575 0.089 -4.974) 6.127 10.358 ( 3.311 -0.010 0.214) 3.318 10.394 ( 5.001 -0.281 -5.802) 7.665 10.726 ( 15.556 2.597 5.438) 16.682 10.827 ( 17.988 3.753 -5.951) 19.315 11.480 ( -14.644 0.948 -3.456) 15.076 11.501 ( -11.073 0.805 -5.237) 12.276 11.829 ( -24.548 1.233 2.999) 24.762 11.889 ( -16.741 0.621 -3.373) 17.089 12.726 ( 13.900 -0.234 4.085) 14.490 12.818 ( 16.344 -1.030 -5.627) 17.316 13.321 ( -5.935 -2.874 5.556) 8.623 13.356 ( -3.807 -2.488 2.330) 5.110 13.999 ( -17.253 -8.622 5.194) 19.974 14.108 ( -7.251 -2.753 -4.916) 9.183 14.567 ( 15.793 -0.918 12.100) 19.917 14.763 ( 12.651 1.346 -8.030) 15.044 14.852 ( 8.529 2.783 4.155) 9.887 14.978 ( 9.982 -0.676 -7.723) 12.639 ======================= Grid point 231 (74/93) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -8.725 2.071 6.508) 11.080 1.171 ( -7.697 1.873 -5.111) 9.427 1.294 ( -1.625 -0.641 5.168) 5.455 1.408 ( -5.162 -0.992 -6.193) 8.123 1.588 ( -2.832 1.407 11.561) 11.986 1.739 ( -6.826 0.992 -4.408) 8.186 1.794 ( -2.174 -3.511 2.685) 4.926 1.851 ( 0.702 -0.332 -1.972) 2.120 1.922 ( 2.370 -1.286 3.371) 4.317 1.946 ( -0.441 -1.168 3.233) 3.465 1.986 ( 0.512 -2.144 -1.698) 2.783 2.032 ( -0.298 -0.200 2.681) 2.705 2.099 ( 4.602 -1.287 -4.092) 6.291 2.127 ( -0.024 -2.266 -6.764) 7.133 2.216 ( 4.070 -0.375 5.363) 6.743 2.309 ( -1.129 -0.579 -3.820) 4.025 2.398 ( -0.164 0.819 -0.271) 0.878 2.421 ( -1.436 1.436 -2.351) 3.106 2.562 ( -0.725 0.327 -0.786) 1.119 2.578 ( -3.680 -2.834 -1.473) 4.873 2.669 ( 0.303 0.515 2.438) 2.510 2.717 ( -0.461 0.946 -2.061) 2.314 2.909 ( 1.028 -1.681 2.536) 3.211 2.935 ( 0.860 -1.020 -0.464) 1.413 3.349 ( 10.124 -0.142 7.401) 12.541 3.486 ( 7.217 0.061 -7.335) 10.290 4.077 ( -1.359 0.431 1.592) 2.137 4.123 ( -0.089 -0.403 -3.138) 3.165 4.580 ( -5.960 1.785 6.037) 8.669 4.668 ( -5.905 3.529 -3.572) 7.751 7.869 ( -8.190 1.376 5.823) 10.142 7.901 ( -6.343 1.116 2.572) 6.935 7.973 ( -9.574 -1.335 1.002) 9.718 8.041 ( -15.936 0.338 -2.207) 16.092 8.610 ( 4.968 -1.479 22.753) 23.336 8.973 ( -0.959 -0.292 -12.775) 12.814 9.101 ( -30.101 0.825 3.459) 30.310 9.169 ( -19.254 0.069 0.581) 19.263 9.821 ( -5.521 -1.173 7.116) 9.083 10.061 ( -0.791 0.079 -9.242) 9.276 10.103 ( -6.087 0.389 -0.465) 6.117 10.137 ( -8.825 0.213 -6.583) 11.011 10.445 ( 4.677 -0.736 0.448) 4.755 10.469 ( 0.191 -0.840 -2.721) 2.854 10.940 ( 9.414 4.677 5.352) 11.796 10.951 ( -6.834 2.657 1.320) 7.450 11.173 ( -15.562 1.073 0.593) 15.610 11.344 ( -2.978 3.809 -12.627) 13.521 11.388 ( -13.186 2.206 4.748) 14.187 11.551 ( -17.185 0.831 -10.992) 20.417 12.965 ( 10.766 -0.715 8.252) 13.584 13.100 ( 11.849 -0.564 -5.192) 12.949 13.254 ( -3.126 -5.630 7.235) 9.686 13.343 ( -0.536 -3.286 -1.546) 3.671 13.767 ( -17.703 -13.990 10.433) 24.859 14.016 ( -6.423 -8.089 -14.884) 18.117 14.886 ( 17.881 0.793 9.242) 20.144 14.986 ( 11.984 -0.787 9.168) 15.109 15.060 ( 16.326 4.797 -7.049) 18.418 15.177 ( 10.871 -1.350 -8.932) 14.134 ======================= Grid point 232 (75/93) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -7.788 2.621 9.277) 12.393 1.024 ( -6.805 2.507 -3.786) 8.181 1.231 ( -7.945 2.509 2.781) 8.783 1.282 ( -7.072 1.909 -3.245) 8.012 1.539 ( -4.078 -1.770 1.067) 4.572 1.573 ( -10.556 -0.510 -2.114) 10.778 1.718 ( -7.535 -0.801 13.661) 15.622 1.874 ( 1.768 -0.319 -3.443) 3.884 1.887 ( -2.993 -0.273 7.701) 8.267 1.960 ( 0.708 -1.035 1.249) 1.770 1.994 ( -0.242 -0.976 -1.467) 1.778 2.047 ( 0.534 1.900 5.607) 5.944 2.114 ( -1.754 -2.056 -11.716) 12.024 2.162 ( 0.018 -0.458 -8.300) 8.313 2.247 ( -0.770 -0.867 3.680) 3.859 2.308 ( 3.193 -1.333 -1.494) 3.769 2.424 ( 4.557 1.509 1.095) 4.923 2.494 ( 5.512 0.736 -5.467) 7.799 2.533 ( -3.625 -4.460 1.480) 5.935 2.559 ( -0.016 -2.765 -1.737) 3.265 2.691 ( 1.590 -0.005 0.845) 1.801 2.726 ( 1.440 0.191 -2.259) 2.686 2.953 ( 2.875 -0.721 2.963) 4.191 2.985 ( 3.607 0.243 -0.618) 3.668 3.534 ( 10.139 -0.270 3.618) 10.768 3.601 ( 5.661 0.220 -3.606) 6.715 4.046 ( -1.770 0.609 3.418) 3.897 4.121 ( -0.580 -0.209 -4.560) 4.602 4.450 ( -6.534 1.348 4.299) 7.937 4.511 ( -7.915 3.309 -2.381) 8.903 7.582 ( -16.639 0.719 10.624) 19.755 7.710 ( -18.896 0.293 -3.503) 19.220 7.864 ( -0.402 -0.436 1.180) 1.321 7.903 ( -2.206 -0.701 -3.284) 4.018 8.469 ( -25.573 0.261 6.070) 26.285 8.588 ( -25.642 -0.625 -6.602) 26.485 8.779 ( 2.479 -0.450 24.577) 24.706 9.214 ( 7.552 0.519 -17.237) 18.826 9.646 ( -18.130 -0.675 5.376) 18.922 9.748 ( -32.456 0.255 -2.748) 32.573 10.027 ( -1.798 -0.346 -0.629) 1.936 10.068 ( 0.338 0.118 -4.204) 4.219 10.393 ( -5.644 -0.230 4.485) 7.213 10.482 ( -2.435 -0.642 -4.567) 5.215 10.689 ( -12.576 0.316 10.762) 16.555 10.887 ( -12.004 0.207 -8.709) 14.833 11.089 ( 5.984 0.796 6.916) 9.180 11.216 ( -3.689 2.808 -1.171) 4.781 11.357 ( 6.677 1.705 -5.719) 8.955 11.482 ( 7.624 8.075 -10.463) 15.258 13.114 ( 4.908 -1.989 8.192) 9.755 13.151 ( -2.769 -3.549 6.322) 7.761 13.349 ( -2.017 -3.185 -0.835) 3.861 13.370 ( 6.436 -1.293 -5.733) 8.715 13.599 ( -13.921 -20.826 21.114) 32.762 14.034 ( -0.480 -13.426 -24.200) 27.679 15.150 ( 12.043 2.146 8.348) 14.810 15.207 ( 11.724 -0.789 9.928) 15.383 15.310 ( 14.696 5.862 -9.185) 18.295 15.379 ( 10.912 0.051 -8.496) 13.830 ======================= Grid point 233 (76/93) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -5.599 3.643 12.184) 13.895 0.866 ( -10.901 4.236 5.861) 13.081 0.981 ( -10.553 4.164 -4.612) 12.246 1.084 ( -13.022 3.000 -10.167) 16.792 1.423 ( -6.301 -0.039 9.000) 10.986 1.471 ( -2.540 -2.225 -0.761) 3.462 1.652 ( 0.054 1.431 14.712) 14.781 1.860 ( -1.427 -2.424 6.369) 6.963 1.917 ( 2.379 -0.707 -6.506) 6.963 1.968 ( -0.770 -1.103 2.404) 2.754 1.979 ( -1.971 -0.084 2.923) 3.526 2.018 ( -0.700 1.614 -2.678) 3.204 2.097 ( 0.148 2.439 -8.461) 8.807 2.180 ( 1.308 -1.455 -5.873) 6.191 2.230 ( -1.861 0.688 3.116) 3.694 2.343 ( 0.085 1.582 -6.706) 6.891 2.514 ( 6.265 0.377 4.297) 7.607 2.531 ( -0.393 -5.187 3.492) 6.265 2.572 ( 3.211 -1.975 -3.569) 5.191 2.621 ( 3.671 -0.651 -4.556) 5.887 2.699 ( -1.706 -2.184 1.028) 2.956 2.739 ( -1.000 -1.380 -2.986) 3.438 3.014 ( 3.353 1.067 2.026) 4.060 3.040 ( 3.027 2.232 -0.742) 3.833 3.678 ( 3.621 -0.401 2.162) 4.236 3.718 ( 8.627 -0.704 -1.948) 8.872 4.005 ( -2.109 0.469 3.693) 4.279 4.091 ( -3.168 -0.109 -5.446) 6.301 4.348 ( -3.502 0.540 2.020) 4.079 4.370 ( -4.598 1.700 -0.253) 4.909 7.317 ( -11.393 0.253 7.647) 13.723 7.398 ( -13.935 -0.034 -1.999) 14.078 7.885 ( -0.705 -0.538 0.068) 0.890 7.900 ( 3.637 -0.573 -1.108) 3.845 8.084 ( -14.298 -0.364 5.672) 15.386 8.211 ( -16.322 -0.840 -6.749) 17.683 8.843 ( 1.794 0.039 23.626) 23.694 9.120 ( -29.632 0.802 6.636) 30.377 9.195 ( -28.250 -0.429 -8.484) 29.499 9.320 ( 3.930 1.183 -20.181) 20.594 10.044 ( 1.908 -0.892 0.813) 2.258 10.077 ( 0.503 -0.034 -2.048) 2.109 10.327 ( -2.163 -0.082 2.873) 3.597 10.409 ( -4.029 -0.193 -6.399) 7.564 10.513 ( -6.919 0.050 7.838) 10.455 10.687 ( -8.766 0.024 -10.460) 13.647 11.172 ( 1.683 0.995 14.011) 14.147 11.299 ( 12.506 1.106 5.815) 13.836 11.489 ( 6.681 2.794 -6.674) 9.848 11.542 ( 5.018 4.557 -7.036) 9.770 13.117 ( -2.044 -1.544 9.692) 10.025 13.207 ( 3.148 -2.078 4.009) 5.505 13.321 ( -3.172 -2.287 -0.324) 3.924 13.382 ( -6.518 -11.803 1.242) 13.540 13.646 ( -0.853 -20.048 22.930) 30.471 14.172 ( 2.456 -15.191 -28.978) 32.811 15.293 ( 6.033 2.731 7.890) 10.301 15.385 ( 7.165 0.183 6.118) 9.424 15.470 ( 7.711 5.327 -8.257) 12.490 15.550 ( 9.092 5.120 -8.970) 13.760 ======================= Grid point 234 (77/93) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 0.000 4.502 14.928) 15.592 0.683 ( 0.000 4.288 14.008) 14.649 0.888 ( 0.000 3.289 -7.948) 8.602 0.905 ( 0.000 2.462 -15.083) 15.282 1.359 ( 0.000 1.030 16.502) 16.534 1.472 ( -0.000 -1.898 -1.632) 2.503 1.650 ( 0.000 0.908 11.002) 11.040 1.872 ( -0.000 -3.662 6.642) 7.585 1.951 ( 0.000 0.654 -0.608) 0.893 1.953 ( -0.000 -0.466 -10.288) 10.298 1.961 ( -0.000 -1.104 6.555) 6.647 2.007 ( 0.000 0.762 -2.861) 2.961 2.077 ( 0.000 4.054 -2.189) 4.607 2.193 ( 0.000 0.593 3.639) 3.687 2.208 ( -0.000 -0.854 -9.162) 9.201 2.321 ( 0.000 2.145 -8.064) 8.344 2.565 ( -0.000 -3.172 4.243) 5.297 2.606 ( 0.000 0.285 -1.526) 1.553 2.611 ( 0.000 0.109 4.832) 4.833 2.670 ( -0.000 -4.054 -0.037) 4.054 2.687 ( -0.000 -0.031 -3.496) 3.497 2.728 ( -0.000 -4.063 -4.905) 6.369 3.034 ( 0.000 2.336 0.804) 2.470 3.047 ( 0.000 2.965 -0.474) 3.002 3.716 ( -0.000 -0.629 5.421) 5.457 3.821 ( -0.000 -0.634 -5.809) 5.843 3.980 ( 0.000 0.093 2.818) 2.819 4.047 ( -0.000 -0.786 -4.199) 4.272 4.316 ( 0.000 0.346 1.111) 1.164 4.325 ( 0.000 0.775 0.077) 0.779 7.206 ( 0.000 0.141 5.901) 5.903 7.264 ( -0.000 -0.005 -1.303) 1.303 7.865 ( -0.000 -0.350 8.771) 8.778 7.983 ( -0.000 -0.492 -1.090) 1.196 7.988 ( -0.000 -0.829 -1.264) 1.512 8.026 ( -0.000 -0.235 -6.985) 6.989 8.755 ( 0.000 0.762 5.635) 5.686 8.874 ( 0.000 0.637 -7.542) 7.569 8.914 ( 0.000 0.468 24.115) 24.119 9.351 ( 0.000 0.726 -23.023) 23.034 10.074 ( -0.000 -0.874 -0.484) 0.999 10.083 ( -0.000 -0.064 -0.970) 0.972 10.308 ( -0.000 -0.069 2.164) 2.165 10.372 ( -0.000 -0.027 -4.922) 4.922 10.449 ( 0.000 0.047 6.631) 6.631 10.604 ( 0.000 0.057 -10.134) 10.134 11.169 ( 0.000 2.820 17.472) 17.698 11.432 ( 0.000 2.252 -10.615) 10.852 11.521 ( 0.000 0.204 4.216) 4.221 11.595 ( 0.000 0.322 -3.586) 3.601 13.102 ( -0.000 -0.211 10.197) 10.199 13.265 ( -0.000 -0.141 -7.499) 7.501 13.281 ( -0.000 -1.858 9.305) 9.489 13.419 ( -0.000 -10.796 -2.369) 11.053 13.816 ( -0.000 -28.392 26.913) 39.121 14.304 ( -0.000 -11.080 -25.877) 28.149 15.322 ( 0.000 4.050 6.035) 7.268 15.440 ( 0.000 4.929 -2.329) 5.452 15.494 ( 0.000 6.757 -1.121) 6.850 15.600 ( 0.000 2.230 -7.053) 7.397 ======================= Grid point 237 (78/93) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 5.281 -0.000 4.933) 7.227 1.267 ( 5.937 -0.000 -5.265) 7.936 1.408 ( 4.968 -0.000 8.352) 9.718 1.555 ( 6.439 -0.000 -4.972) 8.135 1.598 ( 2.250 -0.000 10.963) 11.191 1.787 ( 3.492 -0.000 -7.281) 8.075 1.835 ( -4.613 0.000 3.117) 5.567 1.846 ( -3.465 0.000 0.485) 3.499 1.853 ( -0.416 0.000 1.267) 1.333 1.862 ( -2.906 0.000 1.672) 3.353 2.007 ( -7.668 0.000 -2.599) 8.097 2.020 ( -3.907 0.000 -3.358) 5.152 2.114 ( 3.338 -0.000 3.252) 4.660 2.126 ( -4.552 0.000 4.535) 6.426 2.212 ( -3.101 0.000 -6.354) 7.070 2.229 ( -5.706 0.000 -6.517) 8.662 2.441 ( 4.552 -0.000 2.615) 5.250 2.502 ( 4.762 -0.000 -4.076) 6.268 2.602 ( 2.597 -0.000 2.496) 3.602 2.632 ( 5.677 -0.000 -0.465) 5.696 2.687 ( -2.190 0.000 4.569) 5.066 2.745 ( -2.754 0.000 -1.113) 2.970 2.937 ( 1.072 -0.000 3.765) 3.915 3.012 ( 3.881 -0.000 -4.372) 5.846 3.184 ( -6.921 0.000 8.337) 10.835 3.341 ( -8.194 0.000 -8.400) 11.734 4.077 ( 1.035 -0.000 1.459) 1.789 4.123 ( -0.004 0.000 -3.467) 3.467 4.648 ( 3.982 -0.000 2.255) 4.576 4.669 ( 6.229 -0.000 -0.093) 6.229 7.924 ( 3.302 -0.000 1.468) 3.613 7.950 ( 3.229 -0.000 -1.061) 3.399 8.238 ( 15.075 -0.000 3.925) 15.577 8.248 ( 8.548 -0.000 3.073) 9.083 8.566 ( -4.580 0.000 22.010) 22.482 8.815 ( -12.591 0.000 -0.740) 12.612 9.590 ( 24.022 -0.000 6.933) 25.003 9.637 ( 22.073 -0.000 2.603) 22.226 9.974 ( 9.386 -0.000 -7.702) 12.142 10.062 ( 0.693 -0.000 -11.380) 11.401 10.194 ( 5.646 -0.000 -1.281) 5.790 10.224 ( 3.829 -0.000 -4.347) 5.792 10.360 ( -5.216 0.000 0.268) 5.222 10.407 ( -6.716 0.000 -6.281) 9.195 10.646 ( -10.814 0.000 2.945) 11.208 10.700 ( -13.801 0.000 -3.164) 14.159 11.463 ( 15.168 -0.000 -4.259) 15.755 11.477 ( 12.767 -0.000 -4.746) 13.621 11.782 ( 25.883 -0.000 3.973) 26.186 11.861 ( 16.147 -0.000 -4.347) 16.722 12.740 ( -14.394 0.000 5.424) 15.382 12.852 ( -16.026 0.000 -6.354) 17.240 13.398 ( 2.247 -0.000 6.593) 6.965 13.418 ( 0.160 -0.000 4.142) 4.145 14.250 ( 0.578 -0.000 5.180) 5.212 14.358 ( 2.256 -0.000 -5.974) 6.386 14.580 ( -15.470 0.000 -0.236) 15.472 14.593 ( -9.400 0.000 -2.475) 9.721 14.811 ( -6.600 0.000 10.356) 12.280 15.004 ( -11.046 0.000 -10.159) 15.007 ======================= Grid point 238 (79/93) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 1.832 -0.084 5.478) 5.777 1.335 ( 1.409 -0.081 -5.551) 5.728 1.491 ( 2.409 0.509 4.074) 4.760 1.519 ( -7.422 0.618 1.298) 7.559 1.692 ( 3.381 0.180 2.895) 4.455 1.727 ( -5.744 -1.955 0.357) 6.078 1.784 ( -3.504 0.451 1.084) 3.696 1.801 ( 0.865 -1.075 3.936) 4.170 1.851 ( 0.863 0.535 1.148) 1.533 1.868 ( 1.026 -0.496 0.188) 1.155 1.924 ( -0.363 0.084 0.616) 0.720 1.971 ( -1.149 -0.012 -7.046) 7.139 2.073 ( -0.427 -0.227 1.776) 1.841 2.127 ( -3.592 -0.045 -4.401) 5.681 2.156 ( -2.501 0.917 -1.996) 3.328 2.184 ( 3.292 0.655 -4.550) 5.654 2.503 ( 2.063 0.838 3.376) 4.045 2.558 ( 1.438 -0.253 -1.422) 2.038 2.638 ( -1.374 0.290 1.943) 2.397 2.655 ( 1.735 -0.795 2.302) 2.991 2.665 ( -5.198 0.357 2.113) 5.622 2.728 ( 3.186 0.351 -2.465) 4.044 2.966 ( -6.217 0.139 5.663) 8.411 2.980 ( 2.717 -0.087 4.713) 5.441 3.180 ( -2.775 1.862 -3.895) 5.132 3.213 ( 2.161 -1.729 -6.483) 7.049 4.094 ( 0.589 -0.345 0.257) 0.729 4.120 ( -0.422 -0.127 -2.756) 2.791 4.698 ( 1.423 0.155 4.852) 5.058 4.762 ( 3.560 -0.129 -2.227) 4.201 7.971 ( 0.931 0.293 0.304) 1.022 7.979 ( 0.484 -0.722 -0.592) 1.052 8.365 ( 5.033 -0.207 11.905) 12.927 8.439 ( -1.734 0.171 4.475) 4.802 8.543 ( 10.547 -0.065 8.217) 13.370 8.564 ( -15.149 0.174 5.653) 16.171 9.803 ( -0.675 1.068 8.716) 8.807 9.843 ( 0.270 -0.950 5.600) 5.687 10.062 ( -3.816 -0.227 -15.205) 15.678 10.109 ( 1.008 0.375 -19.332) 19.362 10.249 ( 0.173 0.131 -1.498) 1.514 10.258 ( -1.675 -0.178 -2.013) 2.625 10.373 ( 0.006 -0.064 1.285) 1.287 10.393 ( 0.118 0.042 -0.843) 0.852 10.506 ( 2.154 -0.030 0.194) 2.163 10.534 ( 10.492 0.041 -2.590) 10.807 11.621 ( 0.500 0.033 -3.898) 3.930 11.631 ( 1.627 0.090 -4.742) 5.015 12.062 ( 2.254 0.604 2.174) 3.189 12.074 ( 2.315 -0.920 0.929) 2.658 12.585 ( 2.714 -0.136 -1.886) 3.307 12.615 ( -6.182 0.259 -4.480) 7.639 13.389 ( -3.595 -0.072 5.575) 6.634 13.403 ( -3.122 -0.259 4.492) 5.477 14.186 ( -11.559 -0.542 8.289) 14.234 14.247 ( -9.544 0.981 0.536) 9.610 14.373 ( -1.408 -1.493 10.743) 10.937 14.613 ( 7.602 1.113 -13.712) 15.718 14.807 ( 4.768 0.236 0.636) 4.816 14.861 ( -2.760 0.137 -5.086) 5.788 ======================= Grid point 239 (80/93) ======================= q-point: (-0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -1.457 1.697 4.048) 4.625 1.305 ( -4.629 -0.169 -0.408) 4.650 1.362 ( -6.659 2.054 -0.175) 6.971 1.438 ( -6.043 -2.043 -5.683) 8.543 1.649 ( -3.706 -2.013 11.703) 12.440 1.754 ( -0.688 -2.470 0.644) 2.643 1.776 ( 3.618 -0.734 2.196) 4.295 1.834 ( 0.529 -0.178 0.036) 0.559 1.868 ( -1.130 0.534 0.621) 1.396 1.899 ( 2.737 -1.353 -2.185) 3.754 1.916 ( 0.796 -0.272 0.046) 0.842 1.967 ( 0.325 -0.550 -7.769) 7.795 2.089 ( -0.066 0.926 0.120) 0.936 2.121 ( 0.104 0.479 -1.571) 1.646 2.127 ( 4.230 -0.254 4.998) 6.552 2.254 ( 4.500 0.316 -7.865) 9.067 2.484 ( -2.921 2.238 4.922) 6.146 2.547 ( -6.538 0.823 1.222) 6.701 2.568 ( -0.725 -1.272 0.472) 1.539 2.608 ( -2.316 -0.217 -2.390) 3.335 2.689 ( 0.333 -0.107 3.325) 3.343 2.750 ( 0.551 1.447 -2.368) 2.829 2.874 ( -2.844 -1.457 4.613) 5.612 2.959 ( -5.326 -0.267 -4.469) 6.957 3.181 ( 7.099 -0.013 8.630) 11.175 3.344 ( 7.903 -0.297 -8.706) 11.762 4.100 ( -0.362 -0.026 -0.567) 0.673 4.112 ( -0.456 -0.586 -1.815) 1.961 4.689 ( -2.247 0.808 6.788) 7.196 4.786 ( -0.768 1.134 -3.897) 4.130 7.945 ( -2.762 0.083 1.629) 3.208 7.979 ( -1.629 -0.220 -2.057) 2.633 8.264 ( -17.048 0.679 9.560) 19.558 8.302 ( -10.895 0.866 3.047) 11.346 8.470 ( 5.600 -1.379 19.315) 20.158 8.785 ( 13.192 -0.458 -7.683) 15.273 9.606 ( -20.496 0.642 6.100) 21.394 9.633 ( -23.050 -0.317 2.449) 23.181 9.911 ( -8.874 -0.735 -3.215) 9.467 10.081 ( -1.246 0.284 -12.082) 12.150 10.198 ( -4.222 0.003 -0.418) 4.243 10.237 ( -3.374 -0.089 -5.703) 6.626 10.358 ( 2.877 0.009 0.281) 2.891 10.390 ( 4.299 -0.177 -5.426) 6.925 10.760 ( 17.549 1.724 6.256) 18.711 10.875 ( 19.241 2.320 -6.701) 20.506 11.494 ( -14.448 0.787 -3.571) 14.904 11.512 ( -9.644 0.573 -4.918) 10.841 11.844 ( -24.399 0.719 2.574) 24.545 11.896 ( -16.386 0.248 -2.944) 16.650 12.724 ( 13.814 -0.005 3.455) 14.239 12.805 ( 16.389 -0.671 -5.041) 17.160 13.285 ( -8.473 -1.618 4.424) 9.695 13.317 ( -5.156 -2.353 0.945) 5.746 13.895 ( -19.573 -4.780 10.181) 22.574 14.078 ( -10.005 -1.194 -8.023) 12.880 14.552 ( 16.478 -0.908 15.094) 22.365 14.767 ( 10.003 -0.208 -5.068) 11.215 14.901 ( 10.146 3.188 -2.315) 10.884 14.966 ( 9.587 -0.964 -6.363) 11.547 ======================= Grid point 240 (81/93) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -7.201 4.241 4.531) 9.506 1.206 ( -7.010 2.596 -5.530) 9.299 1.289 ( -0.268 -0.072 4.227) 4.236 1.385 ( -2.870 -1.923 -6.015) 6.936 1.605 ( -2.640 0.029 13.726) 13.977 1.727 ( -4.868 -4.617 0.788) 6.755 1.743 ( -7.886 -0.892 -0.890) 7.986 1.841 ( 1.187 -0.739 -4.396) 4.613 1.899 ( 2.293 -1.372 3.339) 4.277 1.926 ( -0.924 -1.233 0.080) 1.542 1.958 ( 1.695 -1.375 -0.799) 2.324 2.005 ( 1.979 -2.383 -6.799) 7.471 2.095 ( 2.108 1.311 2.019) 3.200 2.129 ( 0.903 0.757 -1.128) 1.632 2.211 ( 3.820 -0.194 5.036) 6.324 2.300 ( -1.971 -0.563 -3.600) 4.142 2.414 ( -0.511 1.209 0.755) 1.514 2.442 ( -2.034 1.184 -1.791) 2.957 2.539 ( -3.970 -2.048 0.975) 4.572 2.572 ( -1.409 0.800 -3.379) 3.747 2.682 ( 0.638 1.139 2.750) 3.045 2.740 ( 0.140 1.696 -2.656) 3.154 2.879 ( 1.081 -2.071 2.968) 3.777 2.918 ( 0.901 -1.138 -1.447) 2.049 3.346 ( 10.092 -0.228 7.478) 12.563 3.485 ( 7.367 -0.160 -7.480) 10.500 4.082 ( -1.278 0.189 0.793) 1.516 4.114 ( -0.029 -0.643 -2.522) 2.603 4.604 ( -6.021 1.371 7.346) 9.596 4.714 ( -5.663 2.418 -4.616) 7.695 7.885 ( -4.758 0.602 3.635) 6.018 7.917 ( -9.589 0.952 5.061) 10.885 7.954 ( -10.324 -1.132 1.524) 10.497 8.049 ( -16.584 0.639 -2.371) 16.765 8.589 ( 5.787 -1.191 22.458) 23.222 8.971 ( -0.044 0.058 -14.901) 14.901 9.110 ( -31.055 0.450 3.060) 31.208 9.170 ( -18.980 0.021 0.157) 18.981 9.804 ( -5.268 -0.984 8.456) 10.011 10.063 ( -1.215 0.223 -9.953) 10.029 10.108 ( -5.794 0.238 -0.277) 5.806 10.138 ( -9.050 -0.103 -5.960) 10.837 10.436 ( 4.446 -0.447 0.296) 4.478 10.457 ( 0.300 -0.639 -2.534) 2.631 10.983 ( -11.061 1.621 2.364) 11.427 11.006 ( 9.424 3.699 2.725) 10.484 11.195 ( -14.249 1.666 3.726) 14.822 11.379 ( -13.088 1.025 -9.066) 15.954 11.447 ( 0.163 4.908 -1.417) 5.112 11.561 ( -15.358 0.367 -9.840) 18.243 12.956 ( 9.873 -0.382 8.015) 12.722 13.094 ( 11.879 -0.220 -5.600) 13.135 13.153 ( -6.512 -6.980 9.491) 13.461 13.292 ( -0.193 -3.350 -4.817) 5.871 13.596 ( -18.698 -8.267 15.096) 25.413 13.915 ( -9.851 -5.012 -17.552) 20.742 14.890 ( 19.077 -0.081 12.138) 22.611 14.969 ( 11.102 -1.244 8.603) 14.100 15.113 ( 13.920 1.888 -7.851) 16.092 15.167 ( 12.875 0.326 -9.923) 16.258 ======================= Grid point 241 (82/93) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -5.448 5.739 6.950) 10.532 1.072 ( -5.085 3.877 -4.809) 8.001 1.268 ( -2.915 2.317 1.891) 4.176 1.313 ( -6.773 1.911 -3.360) 7.798 1.517 ( -7.183 -1.145 2.733) 7.770 1.559 ( -11.932 -1.638 -2.326) 12.266 1.684 ( -3.421 -3.698 12.387) 13.373 1.865 ( 0.336 -0.856 -4.747) 4.835 1.883 ( -2.832 -0.343 5.219) 5.947 1.936 ( 0.394 -1.839 1.741) 2.563 1.983 ( 0.781 -0.359 0.759) 1.147 2.057 ( 2.264 -2.200 -3.656) 4.830 2.098 ( -2.201 1.477 -2.489) 3.636 2.150 ( 0.981 -0.875 -3.897) 4.113 2.237 ( -0.442 -0.459 2.210) 2.299 2.284 ( 2.751 -1.656 -1.556) 3.568 2.441 ( 4.848 0.658 0.819) 4.961 2.473 ( -3.219 -2.829 2.594) 5.009 2.508 ( 4.686 0.836 -5.141) 7.007 2.532 ( -2.335 -0.626 -3.649) 4.377 2.698 ( 1.266 1.081 1.886) 2.516 2.744 ( 1.179 1.564 -2.447) 3.134 2.934 ( 3.347 -1.732 3.806) 5.356 2.982 ( 4.726 -0.536 -1.756) 5.070 3.531 ( 9.963 -0.238 3.867) 10.690 3.602 ( 5.480 -0.010 -3.927) 6.742 4.054 ( -1.638 0.445 2.640) 3.139 4.116 ( -0.414 -0.394 -3.956) 3.997 4.468 ( -7.361 1.060 5.956) 9.528 4.558 ( -8.770 2.733 -3.801) 9.941 7.592 ( -17.244 0.605 10.401) 20.147 7.713 ( -19.460 0.123 -3.133) 19.711 7.859 ( -0.422 -0.168 1.003) 1.101 7.894 ( -2.045 -0.558 -3.053) 3.716 8.474 ( -25.659 0.311 5.785) 26.305 8.580 ( -25.951 -0.364 -5.753) 26.583 8.772 ( 2.687 -0.444 24.101) 24.254 9.223 ( 7.981 0.523 -19.849) 21.400 9.636 ( -17.528 -0.512 6.733) 18.784 9.752 ( -31.989 0.252 -3.648) 32.198 10.022 ( -2.520 -0.371 0.266) 2.561 10.070 ( 0.153 0.077 -3.797) 3.801 10.390 ( -5.266 -0.152 4.372) 6.846 10.474 ( -1.940 -0.446 -4.230) 4.675 10.695 ( -13.143 0.428 10.618) 16.902 10.890 ( -12.440 0.196 -7.953) 14.766 11.096 ( -1.833 0.260 2.268) 2.928 11.265 ( 2.519 2.920 -7.380) 8.327 11.394 ( 6.218 3.299 5.617) 9.006 11.605 ( 8.960 7.837 -11.103) 16.278 13.038 ( -9.303 -11.716 12.903) 19.756 13.080 ( 3.654 -2.581 6.004) 7.488 13.281 ( -6.949 -4.584 14.993) 17.149 13.349 ( 9.251 -1.394 -5.461) 10.832 13.392 ( -7.524 -6.416 5.048) 11.102 13.843 ( -3.890 -10.924 -28.273) 30.559 15.152 ( 9.135 -1.356 10.094) 13.681 15.211 ( 14.937 0.988 11.584) 18.928 15.315 ( 8.731 -2.136 -7.831) 11.921 15.436 ( 17.660 4.724 -12.940) 22.398 ======================= Grid point 242 (83/93) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -3.540 6.952 9.757) 12.492 0.940 ( -7.910 5.484 2.387) 9.917 1.059 ( -10.389 5.759 -3.737) 12.452 1.132 ( -11.688 3.050 -7.757) 14.356 1.422 ( -3.794 -0.445 3.157) 4.955 1.437 ( -2.486 -1.838 0.054) 3.092 1.669 ( 0.126 0.489 15.636) 15.645 1.823 ( -3.370 -2.434 7.275) 8.379 1.901 ( 1.722 -1.376 -7.332) 7.656 1.952 ( 0.247 -0.562 4.493) 4.535 1.983 ( -1.558 0.122 1.049) 1.882 2.040 ( -1.550 1.147 -6.621) 6.896 2.121 ( 2.977 -0.427 -3.751) 4.808 2.155 ( -0.209 -1.115 -3.857) 4.020 2.242 ( -0.473 0.819 4.003) 4.113 2.357 ( 2.569 -0.247 -6.150) 6.670 2.450 ( -1.313 -4.444 2.526) 5.277 2.504 ( 1.084 -2.360 -2.106) 3.344 2.541 ( 4.313 -0.540 0.035) 4.347 2.611 ( 5.340 -0.326 -4.538) 7.015 2.688 ( -1.972 0.466 2.156) 2.959 2.739 ( -0.961 0.820 -2.978) 3.235 3.016 ( 4.044 -0.714 3.769) 5.574 3.067 ( 4.236 1.325 -2.016) 4.875 3.672 ( 3.035 -0.380 1.900) 3.600 3.707 ( 8.063 -0.723 -1.673) 8.266 4.015 ( -2.053 0.789 3.003) 3.723 4.091 ( -3.008 0.079 -5.150) 5.964 4.354 ( -4.227 0.163 3.268) 5.345 4.397 ( -5.884 1.744 -1.324) 6.278 7.321 ( -11.544 0.296 7.317) 13.671 7.397 ( -13.983 -0.032 -1.832) 14.102 7.877 ( -0.563 -0.566 0.269) 0.843 7.891 ( 3.453 -0.512 -1.002) 3.632 8.079 ( -14.812 -0.317 5.252) 15.718 8.198 ( -16.257 -0.752 -6.290) 17.448 8.844 ( 2.244 0.185 23.383) 23.491 9.135 ( -28.671 1.179 6.712) 29.469 9.188 ( -25.941 -0.480 -9.849) 27.752 9.346 ( 3.228 2.001 -18.726) 19.107 10.029 ( 1.492 -1.036 2.325) 2.950 10.076 ( 0.375 -0.096 -2.125) 2.160 10.326 ( -2.174 -0.068 2.866) 3.598 10.407 ( -3.791 -0.141 -6.244) 7.306 10.514 ( -6.959 0.111 7.791) 10.447 10.688 ( -8.739 0.066 -10.448) 13.621 11.161 ( 5.869 -1.666 16.547) 17.636 11.360 ( 9.660 5.504 3.657) 11.704 11.512 ( 6.977 1.151 -2.865) 7.629 11.635 ( 0.488 6.744 -8.017) 10.487 12.992 ( -8.100 -19.462 25.917) 33.408 13.151 ( -4.419 -4.711 14.069) 15.481 13.167 ( -0.219 -3.688 5.859) 6.927 13.319 ( -4.297 -0.835 -3.646) 5.697 13.509 ( 5.000 -3.448 0.113) 6.075 13.927 ( 0.813 -15.466 -35.104) 38.369 15.293 ( 4.995 -2.025 9.520) 10.940 15.404 ( 7.261 1.524 6.864) 10.107 15.468 ( 6.151 -1.717 -3.052) 7.078 15.674 ( 12.616 7.507 -16.711) 22.243 ======================= Grid point 243 (84/93) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 0.000 6.843 12.135) 13.932 0.773 ( 0.000 7.428 11.637) 13.806 0.954 ( 0.000 3.778 -13.331) 13.856 0.958 ( 0.000 5.750 -8.098) 9.931 1.381 ( 0.000 1.689 9.625) 9.772 1.439 ( -0.000 -2.210 -0.692) 2.316 1.666 ( 0.000 1.124 13.469) 13.515 1.814 ( -0.000 -3.831 8.131) 8.989 1.944 ( -0.000 -1.347 -5.508) 5.670 1.945 ( -0.000 -0.172 -3.078) 3.083 1.955 ( -0.000 -0.045 2.830) 2.830 2.024 ( 0.000 1.227 -3.690) 3.888 2.132 ( 0.000 2.917 -4.706) 5.537 2.183 ( -0.000 -2.574 -5.973) 6.504 2.212 ( 0.000 1.859 7.031) 7.273 2.360 ( 0.000 2.710 -7.787) 8.245 2.487 ( -0.000 -6.320 3.562) 7.255 2.569 ( -0.000 -6.306 -5.624) 8.450 2.614 ( 0.000 0.230 4.383) 4.389 2.628 ( 0.000 0.262 1.947) 1.964 2.686 ( -0.000 -0.178 -3.418) 3.422 2.701 ( 0.000 0.448 -5.015) 5.035 3.058 ( 0.000 0.583 2.307) 2.380 3.092 ( 0.000 2.667 -1.307) 2.970 3.703 ( -0.000 -1.006 5.416) 5.509 3.808 ( -0.000 -1.008 -5.806) 5.893 3.986 ( 0.000 0.700 2.076) 2.191 4.040 ( -0.000 -0.041 -3.610) 3.610 4.318 ( -0.000 -0.093 1.910) 1.912 4.339 ( 0.000 0.975 -0.356) 1.038 7.209 ( 0.000 0.220 5.670) 5.675 7.263 ( -0.000 -0.019 -1.213) 1.213 7.858 ( -0.000 -0.558 8.971) 8.988 7.973 ( -0.000 -0.868 -1.042) 1.356 7.975 ( -0.000 -0.731 -1.438) 1.613 8.021 ( -0.000 -0.376 -7.028) 7.038 8.770 ( 0.000 1.227 5.483) 5.618 8.887 ( 0.000 1.019 -7.417) 7.487 8.925 ( 0.000 0.948 24.679) 24.697 9.370 ( 0.000 1.726 -22.824) 22.889 10.057 ( -0.000 -1.298 1.171) 1.749 10.081 ( -0.000 -0.156 -1.197) 1.207 10.307 ( -0.000 -0.108 2.185) 2.187 10.372 ( -0.000 -0.039 -5.018) 5.018 10.450 ( 0.000 0.077 6.658) 6.659 10.605 ( 0.000 0.093 -10.097) 10.098 11.212 ( 0.000 2.283 20.756) 20.881 11.489 ( 0.000 5.510 -7.447) 9.264 11.525 ( 0.000 0.331 4.340) 4.352 11.601 ( 0.000 0.521 -3.714) 3.751 13.091 ( -0.000 -26.900 34.283) 43.577 13.098 ( -0.000 -0.343 10.286) 10.291 13.239 ( -0.000 -3.717 6.360) 7.366 13.262 ( -0.000 -0.229 -7.568) 7.571 13.586 ( -0.000 -5.642 4.137) 6.996 14.067 ( -0.000 -17.515 -36.084) 40.111 15.352 ( -0.000 -0.863 9.067) 9.108 15.459 ( 0.000 1.158 4.902) 5.037 15.535 ( -0.000 -0.792 -2.540) 2.661 15.729 ( 0.000 10.067 -18.039) 20.658 ======================= Grid point 248 (85/93) ======================= q-point: (-0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 1.057 -0.000 4.116) 4.250 1.304 ( -5.873 0.000 -0.181) 5.876 1.388 ( -4.165 0.000 -2.350) 4.782 1.414 ( -9.099 0.000 -4.581) 10.187 1.628 ( -4.170 0.000 10.547) 11.342 1.731 ( -0.629 0.000 -0.733) 0.965 1.773 ( 2.848 -0.000 3.544) 4.547 1.832 ( 1.289 -0.000 0.793) 1.514 1.873 ( -1.864 0.000 0.413) 1.909 1.888 ( 2.481 -0.000 -1.323) 2.811 1.914 ( 0.608 -0.000 -0.109) 0.618 1.963 ( -0.101 0.000 -7.866) 7.866 2.097 ( 0.944 -0.000 -0.419) 1.033 2.122 ( 3.704 -0.000 -0.758) 3.781 2.126 ( 0.077 -0.000 5.170) 5.170 2.257 ( 4.082 -0.000 -7.956) 8.942 2.509 ( -3.290 0.000 5.858) 6.719 2.542 ( -3.066 0.000 2.641) 4.047 2.561 ( -4.415 0.000 0.878) 4.501 2.608 ( -1.631 0.000 -5.053) 5.310 2.687 ( 1.053 -0.000 4.192) 4.323 2.763 ( 0.796 -0.000 -3.528) 3.617 2.862 ( -3.581 0.000 5.557) 6.611 2.958 ( -5.621 0.000 -4.923) 7.471 3.181 ( 6.883 -0.000 8.458) 10.905 3.341 ( 7.993 -0.000 -8.587) 11.732 4.100 ( 0.298 -0.000 -0.758) 0.815 4.106 ( -1.040 0.000 -1.696) 1.990 4.695 ( -2.064 0.000 6.931) 7.232 4.794 ( -0.369 0.000 -4.031) 4.047 7.945 ( -2.777 0.000 1.438) 3.128 7.976 ( -1.442 0.000 -1.987) 2.456 8.269 ( -17.675 0.000 10.253) 20.433 8.308 ( -10.732 0.000 3.254) 11.215 8.459 ( 5.873 -0.000 18.712) 19.612 8.781 ( 13.310 -0.000 -8.510) 15.798 9.612 ( -20.562 0.000 5.674) 21.330 9.629 ( -22.840 0.000 2.797) 23.011 9.906 ( -8.924 0.000 -2.652) 9.310 10.083 ( -1.263 0.000 -11.927) 11.993 10.198 ( -4.165 0.000 -0.505) 4.195 10.236 ( -3.277 0.000 -6.077) 6.904 10.358 ( 2.740 -0.000 0.306) 2.757 10.389 ( 4.033 -0.000 -5.237) 6.610 10.773 ( 18.332 -0.000 6.551) 19.467 10.893 ( 19.648 -0.000 -6.947) 20.840 11.500 ( -14.556 0.000 -3.686) 15.015 11.516 ( -8.766 0.000 -4.718) 9.955 11.850 ( -24.469 0.000 2.380) 24.584 11.897 ( -16.068 0.000 -2.751) 16.302 12.725 ( 13.830 -0.000 3.183) 14.191 12.800 ( 16.350 -0.000 -4.719) 17.018 13.274 ( -10.155 0.000 3.759) 10.828 13.296 ( -5.192 0.000 0.463) 5.212 13.859 ( -20.211 0.000 12.142) 23.577 14.070 ( -11.050 0.000 -9.256) 14.415 14.544 ( 16.786 -0.000 16.288) 23.389 14.765 ( 9.300 -0.000 -4.299) 10.246 14.936 ( 10.342 -0.000 -6.260) 12.089 14.950 ( 9.403 -0.000 -3.951) 10.200 ======================= Grid point 250 (86/93) ======================= q-point: (-0.60 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -5.132 3.523 1.794) 6.478 1.242 ( -6.486 1.726 -5.360) 8.589 1.288 ( 0.716 -0.168 3.282) 3.364 1.354 ( -1.699 -1.674 -3.985) 4.644 1.579 ( -1.941 -2.318 13.197) 13.539 1.676 ( -6.612 -1.755 -0.388) 6.852 1.730 ( -8.559 -0.449 0.661) 8.596 1.836 ( 0.299 0.024 -4.948) 4.957 1.882 ( 2.152 -0.756 1.994) 3.030 1.914 ( -0.619 -0.333 -1.031) 1.248 1.947 ( 2.170 -0.234 0.406) 2.220 1.983 ( 2.018 -0.653 -6.971) 7.286 2.116 ( 0.992 1.034 2.758) 3.108 2.135 ( 1.792 0.003 0.649) 1.906 2.210 ( 3.813 0.002 4.459) 5.867 2.294 ( -2.278 -0.253 -3.518) 4.199 2.431 ( -0.627 0.840 1.048) 1.482 2.454 ( -4.102 0.301 -0.803) 4.190 2.518 ( -2.677 -0.751 2.316) 3.619 2.582 ( -1.650 0.399 -4.818) 5.108 2.698 ( 1.233 0.700 3.318) 3.608 2.761 ( 0.075 0.915 -3.043) 3.178 2.853 ( 1.313 -1.144 3.406) 3.825 2.904 ( 0.540 -0.586 -2.464) 2.589 3.344 ( 10.067 -0.113 7.473) 12.538 3.482 ( 7.466 -0.108 -7.545) 10.615 4.084 ( -1.278 0.107 0.147) 1.291 4.106 ( 0.171 -0.359 -1.979) 2.019 4.619 ( -6.150 0.494 7.980) 10.087 4.739 ( -5.553 0.839 -5.156) 7.624 7.889 ( -3.264 0.050 2.122) 3.893 7.928 ( -9.185 0.401 4.904) 10.420 7.942 ( -12.649 -0.408 3.584) 13.154 8.057 ( -16.797 0.325 -2.291) 16.955 8.576 ( 6.298 -0.452 22.192) 23.073 8.972 ( 0.966 0.072 -16.616) 16.644 9.114 ( -31.641 0.129 3.059) 31.789 9.170 ( -19.229 -0.006 -0.167) 19.229 9.793 ( -5.120 -0.380 9.514) 10.811 10.066 ( -1.229 0.151 -10.409) 10.483 10.110 ( -5.764 0.052 -0.261) 5.770 10.135 ( -9.270 -0.110 -5.521) 10.790 10.432 ( 4.335 -0.143 0.179) 4.341 10.451 ( 0.391 -0.236 -2.362) 2.405 10.999 ( -12.513 0.530 2.565) 12.785 11.045 ( 7.327 1.264 0.098) 7.436 11.217 ( -11.839 0.962 7.008) 13.792 11.387 ( -16.150 0.204 -5.999) 17.229 11.511 ( 6.643 2.969 -6.376) 9.675 11.559 ( -15.958 -0.551 -8.689) 18.179 12.954 ( 9.116 0.032 7.873) 12.045 13.068 ( -8.599 -3.361 11.749) 14.942 13.093 ( 10.257 0.046 -5.807) 11.787 13.251 ( 0.407 -1.666 -8.360) 8.534 13.516 ( -17.931 -2.495 17.830) 25.410 13.865 ( -11.568 -1.618 -18.639) 21.997 14.888 ( 19.830 -0.140 13.744) 24.128 14.954 ( 10.632 -0.603 7.826) 13.216 15.122 ( 9.722 -0.010 -5.741) 11.290 15.181 ( 16.372 0.811 -12.422) 20.567 ======================= Grid point 251 (87/93) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -3.419 7.133 3.063) 8.482 1.133 ( -3.410 3.432 -4.441) 6.567 1.303 ( 0.131 2.412 1.089) 2.650 1.335 ( -2.815 0.962 -2.762) 4.059 1.497 ( -12.792 -2.056 0.852) 12.984 1.514 ( -11.894 -4.151 -1.234) 12.657 1.623 ( -0.207 -3.329 14.705) 15.078 1.850 ( -0.753 -0.918 -3.025) 3.250 1.879 ( -2.103 -0.029 -1.190) 2.416 1.910 ( 0.704 -1.622 0.028) 1.769 1.980 ( 1.258 -0.121 2.231) 2.564 2.023 ( 1.066 -1.593 -4.694) 5.070 2.124 ( -0.671 1.357 0.454) 1.581 2.143 ( -0.492 -0.089 -0.422) 0.654 2.234 ( 0.046 0.162 0.781) 0.799 2.261 ( 1.515 -1.394 -1.283) 2.426 2.445 ( 1.270 -0.280 2.627) 2.931 2.448 ( 0.526 -0.435 2.513) 2.604 2.517 ( 4.458 0.457 -4.698) 6.492 2.534 ( -2.918 0.519 -4.992) 5.806 2.721 ( 1.424 1.685 2.280) 3.173 2.763 ( 0.371 0.739 -1.838) 2.016 2.907 ( 3.685 -1.487 4.184) 5.771 2.971 ( 5.559 -0.760 -3.046) 6.384 3.527 ( 9.954 -0.179 3.949) 10.710 3.601 ( 5.365 -0.124 -4.073) 6.737 4.059 ( -1.394 0.266 1.972) 2.430 4.111 ( -0.110 -0.297 -3.443) 3.457 4.480 ( -8.103 0.516 7.114) 10.796 4.590 ( -9.358 1.456 -4.841) 10.636 7.599 ( -17.614 0.297 10.151) 20.332 7.713 ( -19.463 -0.041 -2.878) 19.674 7.859 ( -0.781 0.054 0.871) 1.171 7.887 ( -1.991 -0.269 -2.727) 3.387 8.478 ( -25.649 0.212 5.686) 26.273 8.577 ( -26.287 -0.118 -5.199) 26.796 8.766 ( 2.910 -0.279 23.576) 23.756 9.229 ( 8.369 0.269 -22.264) 23.787 9.631 ( -16.626 -0.224 7.908) 18.412 9.755 ( -31.671 0.146 -4.211) 31.950 10.017 ( -3.014 -0.266 1.045) 3.201 10.071 ( -0.007 0.034 -3.471) 3.471 10.388 ( -4.972 -0.059 4.319) 6.586 10.469 ( -1.567 -0.188 -4.044) 4.341 10.700 ( -13.619 0.303 10.553) 17.232 10.893 ( -12.619 0.119 -7.276) 14.567 11.099 ( -6.075 0.165 0.663) 6.113 11.295 ( 4.511 1.086 -14.738) 15.452 11.448 ( 6.872 3.235 14.896) 16.720 11.709 ( 9.843 5.405 -12.247) 16.616 12.856 ( -15.695 -10.027 23.416) 29.920 13.042 ( 1.615 -2.175 2.445) 3.649 13.240 ( -6.907 -1.218 18.294) 19.592 13.323 ( 5.201 -1.946 -4.035) 6.864 13.343 ( 3.508 -1.160 -6.162) 7.185 13.718 ( -6.445 -5.486 -28.816) 30.033 15.130 ( 8.142 -1.226 9.916) 12.889 15.222 ( 16.404 0.377 13.721) 21.390 15.286 ( 7.665 -1.477 -7.021) 10.499 15.490 ( 18.390 2.401 -15.100) 23.916 ======================= Grid point 252 (88/93) ======================= q-point: (-0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -2.457 8.632 6.064) 10.831 1.026 ( -7.127 5.512 0.777) 9.043 1.141 ( -8.953 4.265 -4.550) 10.911 1.171 ( -11.333 2.345 -5.491) 12.809 1.400 ( -1.050 -1.550 1.900) 2.668 1.425 ( -0.736 -0.559 -0.281) 0.966 1.660 ( 1.187 -1.700 15.684) 15.820 1.790 ( -4.726 -1.806 7.601) 9.131 1.882 ( 1.090 -0.889 -6.955) 7.096 1.942 ( 0.903 -1.194 -1.842) 2.373 1.985 ( -1.252 0.212 4.136) 4.327 2.041 ( -0.637 -1.598 -2.933) 3.400 2.096 ( 0.275 -0.774 -1.876) 2.048 2.148 ( 0.618 -0.747 -7.240) 7.304 2.254 ( 0.980 0.680 4.679) 4.829 2.333 ( 3.887 -2.134 -3.101) 5.412 2.411 ( -1.288 -1.108 1.027) 1.985 2.477 ( -2.780 -0.755 -5.334) 6.062 2.546 ( 5.648 0.652 1.942) 6.009 2.609 ( 5.183 -0.041 -4.013) 6.555 2.704 ( -1.859 1.521 2.348) 3.359 2.751 ( -1.348 0.512 -2.343) 2.751 2.998 ( 4.451 -1.350 5.401) 7.128 3.079 ( 5.238 0.345 -3.666) 6.403 3.667 ( 2.219 -0.336 1.737) 2.838 3.697 ( 7.845 -0.554 -1.433) 7.994 4.027 ( -1.633 0.823 2.280) 2.923 4.093 ( -2.399 0.189 -4.822) 5.389 4.354 ( -4.958 -0.109 4.465) 6.673 4.420 ( -7.000 1.184 -2.538) 7.540 7.325 ( -11.665 0.220 6.991) 13.602 7.397 ( -14.018 -0.032 -1.695) 14.120 7.869 ( -0.627 -0.389 0.541) 0.914 7.885 ( 3.389 -0.292 -0.954) 3.533 8.075 ( -15.278 -0.176 4.894) 16.044 8.189 ( -16.263 -0.463 -5.970) 17.330 8.848 ( 2.769 0.215 23.135) 23.301 9.153 ( -27.968 1.086 6.710) 28.782 9.182 ( -23.847 -0.276 -10.259) 25.962 9.376 ( 2.976 1.782 -18.727) 19.045 10.014 ( 1.115 -0.828 3.764) 4.012 10.074 ( 0.239 -0.119 -2.154) 2.171 10.325 ( -2.222 -0.028 2.892) 3.647 10.405 ( -3.667 -0.043 -6.159) 7.168 10.516 ( -7.054 0.122 7.790) 10.509 10.689 ( -8.751 0.083 -10.368) 13.568 11.136 ( 7.154 -1.375 19.412) 20.734 11.432 ( 10.006 3.442 -6.484) 12.410 11.534 ( 4.194 1.875 6.462) 7.928 11.738 ( -1.396 6.699 -10.105) 12.205 12.701 ( -11.416 -16.440 37.590) 42.587 13.098 ( 2.195 -3.962 -1.819) 4.882 13.130 ( -4.292 -0.942 12.192) 12.960 13.309 ( -3.886 -0.534 -4.385) 5.883 13.476 ( 5.198 -1.295 -4.346) 6.898 13.733 ( 0.270 -9.827 -34.474) 35.849 15.257 ( 4.457 -2.239 9.664) 10.875 15.402 ( 4.523 -1.505 -3.807) 6.101 15.459 ( 9.155 0.581 11.176) 14.458 15.759 ( 12.873 3.964 -19.183) 23.440 ======================= Grid point 253 (89/93) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.000 6.736 9.123) 11.341 0.898 ( 0.000 8.665 8.068) 11.840 1.011 ( 0.000 3.432 -10.893) 11.421 1.051 ( 0.000 6.080 -8.335) 10.317 1.402 ( 0.000 0.405 3.496) 3.520 1.418 ( 0.000 0.416 1.077) 1.154 1.678 ( 0.000 0.131 15.485) 15.486 1.759 ( -0.000 -3.253 8.795) 9.377 1.917 ( -0.000 -2.026 -8.295) 8.539 1.944 ( -0.000 -0.287 -7.442) 7.447 1.959 ( 0.000 0.582 8.597) 8.617 2.039 ( 0.000 0.423 -1.906) 1.953 2.130 ( -0.000 -3.980 -3.367) 5.213 2.159 ( 0.000 0.406 -7.995) 8.005 2.244 ( 0.000 2.176 8.924) 9.186 2.398 ( 0.000 2.192 -6.991) 7.326 2.401 ( -0.000 -4.389 1.270) 4.569 2.474 ( -0.000 -5.367 -6.170) 8.177 2.619 ( 0.000 0.428 3.329) 3.356 2.647 ( 0.000 1.721 2.466) 3.007 2.681 ( -0.000 -0.440 -3.190) 3.221 2.715 ( 0.000 0.887 -4.057) 4.153 3.054 ( -0.000 -0.964 4.782) 4.878 3.123 ( 0.000 1.439 -2.994) 3.321 3.688 ( -0.000 -0.991 5.417) 5.507 3.792 ( -0.000 -0.986 -5.807) 5.890 4.001 ( 0.000 1.214 1.331) 1.801 4.046 ( 0.000 0.701 -3.548) 3.616 4.313 ( -0.000 -0.457 2.950) 2.986 4.353 ( 0.000 0.729 -1.171) 1.380 7.212 ( 0.000 0.210 5.377) 5.381 7.263 ( -0.000 -0.033 -1.104) 1.104 7.849 ( -0.000 -0.548 9.220) 9.236 7.961 ( -0.000 -0.662 -0.948) 1.156 7.966 ( -0.000 -0.517 -1.773) 1.847 8.015 ( -0.000 -0.372 -7.075) 7.084 8.790 ( 0.000 1.219 5.290) 5.428 8.903 ( 0.000 1.005 -7.259) 7.328 8.942 ( 0.000 1.133 25.369) 25.394 9.400 ( 0.000 2.139 -23.378) 23.475 10.037 ( -0.000 -1.232 2.986) 3.230 10.078 ( -0.000 -0.213 -1.404) 1.420 10.305 ( -0.000 -0.103 2.213) 2.216 10.371 ( -0.000 -0.033 -5.137) 5.137 10.451 ( 0.000 0.079 6.690) 6.691 10.606 ( 0.000 0.095 -10.055) 10.056 11.231 ( 0.000 0.297 26.593) 26.595 11.531 ( 0.000 0.333 4.491) 4.504 11.595 ( 0.000 7.996 -9.974) 12.783 11.609 ( 0.000 0.519 -3.871) 3.905 12.729 ( -0.000 -20.074 42.053) 46.599 13.093 ( -0.000 -0.344 10.396) 10.402 13.171 ( -0.000 -4.965 0.084) 4.966 13.258 ( -0.000 -0.230 -7.653) 7.656 13.535 ( -0.000 -2.023 -2.963) 3.588 13.827 ( -0.000 -13.152 -36.681) 38.968 15.318 ( -0.000 -2.772 9.381) 9.782 15.457 ( -0.000 -1.654 -3.419) 3.798 15.536 ( 0.000 1.133 10.541) 10.602 15.847 ( 0.000 5.648 -21.464) 22.195 ======================= Grid point 260 (90/93) ======================= q-point: (-0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -1.357 0.000 -1.447) 1.984 1.146 ( -4.293 0.000 -1.827) 4.665 1.334 ( 3.700 -0.000 0.075) 3.701 1.341 ( 1.007 -0.000 -0.713) 1.234 1.452 ( -15.730 0.000 1.104) 15.769 1.484 ( -13.666 0.000 -2.812) 13.952 1.599 ( -0.525 0.000 16.099) 16.108 1.842 ( -1.259 0.000 -2.484) 2.785 1.884 ( -0.702 0.000 -4.034) 4.094 1.891 ( -0.483 0.000 -0.795) 0.931 1.979 ( 1.390 -0.000 2.858) 3.178 2.011 ( 0.838 -0.000 -3.567) 3.665 2.135 ( -0.365 0.000 0.863) 0.937 2.143 ( -1.331 0.000 0.554) 1.441 2.242 ( -0.319 0.000 -1.068) 1.115 2.243 ( 1.547 -0.000 0.155) 1.555 2.441 ( -1.895 0.000 4.297) 4.697 2.448 ( 3.797 -0.000 1.534) 4.095 2.521 ( 4.233 -0.000 -4.611) 6.259 2.539 ( -2.812 0.000 -5.151) 5.868 2.738 ( 1.855 -0.000 1.992) 2.722 2.766 ( -0.459 0.000 -0.894) 1.005 2.895 ( 3.845 -0.000 4.064) 5.595 2.964 ( 5.941 -0.000 -3.692) 6.995 3.526 ( 9.971 -0.000 3.956) 10.727 3.600 ( 5.325 -0.000 -4.113) 6.728 4.061 ( -1.283 0.000 1.701) 2.131 4.108 ( 0.047 -0.000 -3.228) 3.228 4.484 ( -8.389 0.000 7.522) 11.268 4.602 ( -9.562 0.000 -5.221) 10.895 7.601 ( -17.717 0.000 10.033) 20.360 7.713 ( -19.342 0.000 -2.792) 19.543 7.859 ( -1.018 0.000 0.828) 1.312 7.885 ( -2.000 0.000 -2.563) 3.251 8.480 ( -25.625 0.000 5.678) 26.247 8.576 ( -26.442 0.000 -5.015) 26.913 8.764 ( 3.005 -0.000 23.336) 23.529 9.231 ( 8.519 -0.000 -23.239) 24.751 9.629 ( -16.185 0.000 8.363) 18.218 9.756 ( -31.574 0.000 -4.385) 31.877 10.015 ( -3.174 0.000 1.364) 3.454 10.071 ( -0.073 0.000 -3.351) 3.352 10.388 ( -4.861 0.000 4.308) 6.496 10.468 ( -1.429 0.000 -3.989) 4.237 10.703 ( -13.798 0.000 10.534) 17.360 10.894 ( -12.663 0.000 -7.011) 14.474 11.100 ( -7.365 0.000 0.252) 7.369 11.303 ( 4.730 -0.000 -16.440) 17.107 11.475 ( 7.304 -0.000 17.149) 18.640 11.753 ( 10.373 -0.000 -13.108) 16.716 12.775 ( -17.479 0.000 26.718) 31.927 13.024 ( 0.691 -0.000 0.423) 0.811 13.232 ( -6.922 0.000 19.091) 20.307 13.306 ( 3.673 -0.000 -5.589) 6.688 13.336 ( 7.212 -0.000 -6.829) 9.932 13.677 ( -7.386 0.000 -28.418) 29.362 15.120 ( 7.898 -0.000 9.803) 12.589 15.224 ( 16.846 -0.000 13.852) 21.810 15.274 ( 7.339 -0.000 -6.100) 9.543 15.508 ( 18.490 -0.000 -15.775) 24.305 ======================= Grid point 262 (91/93) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -1.549 5.713 1.358) 6.073 1.096 ( -9.225 3.782 0.493) 9.982 1.153 ( -8.550 -2.176 -1.628) 8.971 1.214 ( -12.481 2.074 -6.248) 14.111 1.387 ( 2.803 -0.070 1.965) 3.424 1.412 ( 2.871 -0.945 -0.495) 3.063 1.628 ( 1.725 -1.681 16.824) 16.995 1.769 ( -5.253 -0.822 6.554) 8.439 1.878 ( 0.066 0.343 -5.930) 5.941 1.917 ( 1.382 -1.609 -8.290) 8.557 1.988 ( -0.620 0.192 6.662) 6.694 2.012 ( -0.464 -1.231 2.172) 2.539 2.100 ( -1.673 0.534 -4.553) 4.880 2.133 ( 0.209 -0.774 -7.932) 7.972 2.263 ( 1.718 0.438 4.569) 4.901 2.310 ( 4.421 -0.856 -1.604) 4.780 2.404 ( -1.648 -0.079 1.061) 1.962 2.473 ( -2.739 -0.015 -4.191) 5.007 2.555 ( 5.512 0.386 1.053) 5.625 2.608 ( 4.780 -0.085 -3.678) 6.032 2.729 ( -2.061 1.628 1.380) 2.967 2.750 ( -1.587 -0.706 -0.674) 1.864 2.982 ( 4.696 -0.640 6.134) 7.751 3.081 ( 5.831 -0.009 -4.819) 7.564 3.663 ( 1.635 -0.147 1.679) 2.348 3.691 ( 7.877 -0.213 -1.319) 7.989 4.037 ( -1.258 0.357 1.815) 2.237 4.095 ( -1.902 0.093 -4.561) 4.942 4.352 ( -5.381 -0.080 5.163) 7.458 4.432 ( -7.611 0.408 -3.321) 8.314 7.327 ( -11.721 0.078 6.788) 13.545 7.396 ( -14.028 -0.016 -1.622) 14.121 7.865 ( -0.733 -0.134 0.748) 1.056 7.882 ( 3.364 -0.089 -0.936) 3.493 8.074 ( -15.551 -0.052 4.688) 16.243 8.184 ( -16.303 -0.153 -5.813) 17.309 8.850 ( 3.123 0.091 22.959) 23.170 9.165 ( -27.621 0.448 6.668) 28.418 9.179 ( -22.709 -0.090 -10.322) 24.945 9.395 ( 3.062 0.701 -19.078) 19.335 10.005 ( 0.901 -0.318 4.661) 4.758 10.073 ( 0.150 -0.055 -2.149) 2.155 10.325 ( -2.269 -0.005 2.923) 3.701 10.405 ( -3.641 -0.000 -6.134) 7.133 10.517 ( -7.135 0.054 7.804) 10.575 10.690 ( -8.775 0.038 -10.297) 13.529 11.122 ( 7.310 -0.501 20.867) 22.116 11.462 ( 11.213 0.787 -13.887) 17.866 11.560 ( 1.100 1.114 13.360) 13.451 11.822 ( -1.333 3.555 -14.989) 15.462 12.520 ( -11.672 -6.669 43.229) 45.271 13.049 ( 1.923 -1.908 -7.564) 8.034 13.123 ( -4.045 -0.221 12.652) 13.284 13.303 ( -3.548 -0.203 -4.481) 5.719 13.465 ( 5.075 -0.296 -5.555) 7.530 13.634 ( 0.363 -3.224 -31.714) 31.879 15.232 ( 4.199 -0.882 9.693) 10.600 15.381 ( 4.044 -0.852 -6.237) 7.482 15.468 ( 9.796 0.352 15.344) 18.208 15.798 ( 12.863 1.235 -20.096) 23.893 ======================= Grid point 263 (92/93) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 0.000 4.438 6.494) 7.866 1.021 ( 0.000 6.912 3.800) 7.888 1.051 ( 0.000 1.748 -8.283) 8.465 1.124 ( 0.000 2.928 -7.522) 8.072 1.411 ( 0.000 1.558 2.969) 3.353 1.437 ( 0.000 1.248 0.298) 1.283 1.663 ( -0.000 -1.993 16.357) 16.478 1.719 ( -0.000 -1.913 8.946) 9.148 1.890 ( -0.000 -1.418 -9.574) 9.679 1.934 ( -0.000 -0.892 -8.841) 8.886 1.969 ( 0.000 0.683 9.840) 9.864 2.024 ( -0.000 -2.171 2.366) 3.211 2.091 ( -0.000 -0.789 -5.172) 5.231 2.147 ( -0.000 -1.448 -10.586) 10.685 2.273 ( 0.000 1.422 9.647) 9.752 2.364 ( -0.000 -0.604 -0.073) 0.609 2.413 ( -0.000 -2.864 -4.857) 5.638 2.423 ( 0.000 1.121 -5.811) 5.919 2.627 ( 0.000 0.582 1.673) 1.771 2.673 ( -0.000 -0.588 -2.703) 2.766 2.675 ( 0.000 1.806 2.314) 2.935 2.721 ( -0.000 -0.103 -2.351) 2.353 3.037 ( -0.000 -0.986 6.548) 6.622 3.137 ( 0.000 0.473 -4.536) 4.560 3.675 ( -0.000 -0.605 5.424) 5.458 3.780 ( -0.000 -0.598 -5.812) 5.842 4.018 ( 0.000 0.943 0.805) 1.240 4.057 ( 0.000 0.636 -3.550) 3.607 4.307 ( -0.000 -0.378 3.724) 3.744 4.361 ( 0.000 0.360 -1.953) 1.985 7.215 ( 0.000 0.126 5.133) 5.135 7.263 ( -0.000 -0.028 -1.016) 1.016 7.842 ( -0.000 -0.334 9.423) 9.429 7.954 ( -0.000 -0.323 -0.972) 1.024 7.960 ( -0.000 -0.270 -1.935) 1.954 8.010 ( -0.000 -0.228 -7.106) 7.109 8.805 ( 0.000 0.749 5.129) 5.184 8.916 ( 0.000 0.614 -7.128) 7.154 8.957 ( 0.000 0.776 25.906) 25.918 9.429 ( 0.000 1.459 -24.224) 24.267 10.022 ( -0.000 -0.747 4.373) 4.437 10.075 ( -0.000 -0.159 -1.519) 1.527 10.304 ( -0.000 -0.061 2.239) 2.240 10.371 ( -0.000 -0.018 -5.233) 5.233 10.452 ( 0.000 0.049 6.715) 6.715 10.608 ( 0.000 0.059 -10.024) 10.024 11.229 ( -0.000 -0.362 31.410) 31.412 11.535 ( 0.000 0.207 4.613) 4.617 11.616 ( 0.000 0.320 -3.995) 4.007 11.714 ( 0.000 6.959 -18.804) 20.050 12.486 ( -0.000 -11.900 46.479) 47.978 13.088 ( -0.000 -0.213 10.486) 10.488 13.101 ( -0.000 -3.800 -7.533) 8.437 13.255 ( -0.000 -0.143 -7.722) 7.723 13.515 ( -0.000 -0.795 -4.874) 4.939 13.680 ( -0.000 -6.284 -31.754) 32.370 15.281 ( -0.000 -1.822 9.564) 9.736 15.428 ( -0.000 -1.642 -6.137) 6.353 15.554 ( 0.000 0.893 15.719) 15.744 15.907 ( 0.000 2.481 -22.459) 22.596 ======================= Grid point 273 (93/93) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.000 0.000 5.244) 5.244 1.064 ( 0.000 0.000 -6.927) 6.927 1.082 ( 0.000 0.000 0.736) 0.736 1.139 ( 0.000 0.000 -5.405) 5.405 1.434 ( 0.000 0.000 1.465) 1.465 1.446 ( 0.000 0.000 0.730) 0.730 1.639 ( 0.000 0.000 17.191) 17.191 1.705 ( 0.000 0.000 8.914) 8.914 1.878 ( 0.000 0.000 -9.959) 9.959 1.926 ( 0.000 0.000 -9.688) 9.688 1.975 ( 0.000 0.000 10.019) 10.019 2.003 ( 0.000 0.000 3.316) 3.316 2.088 ( 0.000 0.000 -5.739) 5.739 2.133 ( 0.000 0.000 -10.686) 10.686 2.284 ( 0.000 0.000 9.829) 9.829 2.367 ( -0.000 -0.000 -1.640) 1.640 2.387 ( 0.000 0.000 -3.109) 3.109 2.432 ( 0.000 0.000 -5.188) 5.188 2.632 ( 0.000 0.000 0.621) 0.621 2.667 ( 0.000 0.000 -2.263) 2.263 2.693 ( 0.000 0.000 1.748) 1.748 2.717 ( 0.000 0.000 -1.054) 1.054 3.029 ( 0.000 0.000 7.089) 7.089 3.140 ( 0.000 0.000 -5.162) 5.162 3.670 ( 0.000 0.000 5.428) 5.428 3.775 ( 0.000 0.000 -5.815) 5.815 4.026 ( 0.000 0.000 0.614) 0.614 4.062 ( 0.000 0.000 -3.526) 3.526 4.303 ( 0.000 0.000 4.001) 4.001 4.364 ( 0.000 0.000 -2.270) 2.270 7.216 ( 0.000 0.000 5.039) 5.039 7.262 ( 0.000 0.000 -0.982) 0.982 7.840 ( 0.000 0.000 9.500) 9.500 7.951 ( 0.000 0.000 -0.986) 0.986 7.958 ( 0.000 0.000 -1.984) 1.984 8.009 ( 0.000 0.000 -7.116) 7.116 8.811 ( 0.000 0.000 5.067) 5.067 8.921 ( 0.000 0.000 -7.076) 7.076 8.963 ( 0.000 0.000 26.105) 26.105 9.440 ( 0.000 0.000 -24.617) 24.617 10.016 ( 0.000 0.000 4.897) 4.897 10.074 ( 0.000 0.000 -1.550) 1.550 10.303 ( 0.000 0.000 2.249) 2.249 10.371 ( 0.000 0.000 -5.269) 5.269 10.452 ( 0.000 0.000 6.724) 6.724 10.608 ( 0.000 0.000 -10.012) 10.012 11.225 ( 0.000 0.000 33.107) 33.107 11.537 ( 0.000 0.000 4.659) 4.659 11.618 ( 0.000 0.000 -4.042) 4.042 11.774 ( 0.000 0.000 -26.352) 26.352 12.389 ( 0.000 0.000 51.803) 51.803 13.070 ( 0.000 0.000 -10.835) 10.835 13.087 ( 0.000 0.000 10.520) 10.520 13.254 ( 0.000 0.000 -7.748) 7.748 13.509 ( 0.000 0.000 -5.353) 5.353 13.633 ( 0.000 0.000 -29.089) 29.089 15.267 ( 0.000 0.000 9.612) 9.612 15.415 ( 0.000 0.000 -6.434) 6.434 15.560 ( 0.000 0.000 16.815) 16.815 15.925 ( 0.000 0.000 -22.707) 22.707 =================== 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 3/30000 10.0 279.041 173.267 281.404 0.000 0.000 0.000 3/30000 20.0 51.290 19.461 43.955 0.000 0.000 0.000 3/30000 30.0 27.324 8.513 23.790 0.000 0.000 0.000 3/30000 40.0 19.143 5.468 16.925 0.000 0.000 0.000 3/30000 50.0 14.983 4.072 13.268 0.000 0.000 0.000 3/30000 60.0 12.403 3.259 10.926 0.000 0.000 0.000 3/30000 70.0 10.607 2.720 9.269 0.000 0.000 0.000 3/30000 80.0 9.267 2.332 8.026 0.000 0.000 0.000 3/30000 90.0 8.223 2.039 7.059 0.000 0.000 0.000 3/30000 100.0 7.387 1.810 6.286 0.000 0.000 0.000 3/30000 110.0 6.703 1.627 5.659 0.000 0.000 0.000 3/30000 120.0 6.134 1.478 5.141 0.000 0.000 0.000 3/30000 130.0 5.655 1.355 4.709 0.000 0.000 0.000 3/30000 140.0 5.247 1.251 4.343 0.000 0.000 0.000 3/30000 150.0 4.894 1.163 4.030 0.000 0.000 0.000 3/30000 160.0 4.587 1.086 3.760 0.000 0.000 0.000 3/30000 170.0 4.318 1.020 3.525 0.000 0.000 0.000 3/30000 180.0 4.079 0.962 3.318 0.000 0.000 0.000 3/30000 190.0 3.866 0.910 3.134 0.000 0.000 0.000 3/30000 200.0 3.674 0.864 2.971 0.000 0.000 0.000 3/30000 210.0 3.501 0.823 2.824 0.000 0.000 0.000 3/30000 220.0 3.345 0.785 2.691 0.000 0.000 0.000 3/30000 230.0 3.201 0.751 2.571 0.000 0.000 0.000 3/30000 240.0 3.070 0.720 2.461 0.000 0.000 0.000 3/30000 250.0 2.950 0.692 2.361 0.000 0.000 0.000 3/30000 260.0 2.838 0.665 2.268 0.000 0.000 0.000 3/30000 270.0 2.735 0.641 2.183 0.000 0.000 0.000 3/30000 280.0 2.639 0.618 2.104 0.000 0.000 0.000 3/30000 290.0 2.550 0.597 2.031 0.000 0.000 0.000 3/30000 300.0 2.467 0.578 1.962 0.000 0.000 0.000 3/30000 310.0 2.389 0.559 1.899 0.000 0.000 0.000 3/30000 320.0 2.315 0.542 1.839 0.000 0.000 0.000 3/30000 330.0 2.246 0.526 1.783 0.000 0.000 0.000 3/30000 340.0 2.182 0.511 1.730 0.000 0.000 0.000 3/30000 350.0 2.120 0.497 1.681 0.000 0.000 0.000 3/30000 360.0 2.063 0.483 1.634 0.000 0.000 0.000 3/30000 370.0 2.008 0.470 1.590 0.000 0.000 0.000 3/30000 380.0 1.956 0.458 1.548 0.000 0.000 0.000 3/30000 390.0 1.907 0.446 1.508 0.000 0.000 0.000 3/30000 400.0 1.860 0.436 1.470 0.000 0.000 0.000 3/30000 410.0 1.815 0.425 1.435 0.000 0.000 0.000 3/30000 420.0 1.773 0.415 1.400 0.000 0.000 0.000 3/30000 430.0 1.732 0.406 1.368 0.000 0.000 0.000 3/30000 440.0 1.693 0.397 1.337 0.000 0.000 0.000 3/30000 450.0 1.656 0.388 1.307 0.000 0.000 0.000 3/30000 460.0 1.621 0.380 1.279 0.000 0.000 0.000 3/30000 470.0 1.587 0.372 1.252 0.000 0.000 0.000 3/30000 480.0 1.554 0.364 1.226 0.000 0.000 0.000 3/30000 490.0 1.523 0.357 1.201 0.000 0.000 0.000 3/30000 500.0 1.493 0.350 1.177 0.000 0.000 0.000 3/30000 510.0 1.464 0.343 1.154 0.000 0.000 0.000 3/30000 520.0 1.436 0.336 1.132 0.000 0.000 0.000 3/30000 530.0 1.409 0.330 1.110 0.000 0.000 0.000 3/30000 540.0 1.384 0.324 1.090 0.000 0.000 0.000 3/30000 550.0 1.359 0.318 1.070 0.000 0.000 0.000 3/30000 560.0 1.335 0.313 1.051 0.000 0.000 0.000 3/30000 570.0 1.312 0.307 1.033 0.000 0.000 0.000 3/30000 580.0 1.289 0.302 1.015 0.000 0.000 0.000 3/30000 590.0 1.268 0.297 0.998 0.000 0.000 0.000 3/30000 600.0 1.247 0.292 0.981 0.000 0.000 0.000 3/30000 610.0 1.227 0.287 0.965 0.000 0.000 0.000 3/30000 620.0 1.207 0.283 0.950 0.000 0.000 0.000 3/30000 630.0 1.188 0.278 0.935 0.000 0.000 0.000 3/30000 640.0 1.170 0.274 0.920 0.000 0.000 0.000 3/30000 650.0 1.152 0.270 0.906 0.000 0.000 0.000 3/30000 660.0 1.135 0.266 0.892 0.000 0.000 0.000 3/30000 670.0 1.118 0.262 0.879 0.000 0.000 0.000 3/30000 680.0 1.101 0.258 0.866 0.000 0.000 0.000 3/30000 690.0 1.086 0.254 0.854 0.000 0.000 0.000 3/30000 700.0 1.070 0.251 0.842 0.000 0.000 0.000 3/30000 710.0 1.055 0.247 0.830 0.000 0.000 0.000 3/30000 720.0 1.041 0.244 0.818 0.000 0.000 0.000 3/30000 730.0 1.027 0.240 0.807 0.000 0.000 0.000 3/30000 740.0 1.013 0.237 0.796 0.000 0.000 0.000 3/30000 750.0 1.000 0.234 0.786 0.000 0.000 0.000 3/30000 760.0 0.986 0.231 0.775 0.000 0.000 0.000 3/30000 770.0 0.974 0.228 0.765 0.000 0.000 0.000 3/30000 780.0 0.961 0.225 0.756 0.000 0.000 0.000 3/30000 790.0 0.949 0.222 0.746 0.000 0.000 0.000 3/30000 800.0 0.938 0.220 0.737 0.000 0.000 0.000 3/30000 810.0 0.926 0.217 0.728 0.000 0.000 0.000 3/30000 820.0 0.915 0.214 0.719 0.000 0.000 0.000 3/30000 830.0 0.904 0.212 0.710 0.000 0.000 0.000 3/30000 840.0 0.893 0.209 0.702 0.000 0.000 0.000 3/30000 850.0 0.883 0.207 0.694 0.000 0.000 0.000 3/30000 860.0 0.873 0.204 0.685 0.000 0.000 0.000 3/30000 870.0 0.863 0.202 0.678 0.000 0.000 0.000 3/30000 880.0 0.853 0.200 0.670 0.000 0.000 0.000 3/30000 890.0 0.843 0.197 0.662 0.000 0.000 0.000 3/30000 900.0 0.834 0.195 0.655 0.000 0.000 0.000 3/30000 910.0 0.825 0.193 0.648 0.000 0.000 0.000 3/30000 920.0 0.816 0.191 0.641 0.000 0.000 0.000 3/30000 930.0 0.807 0.189 0.634 0.000 0.000 0.000 3/30000 940.0 0.799 0.187 0.627 0.000 0.000 0.000 3/30000 950.0 0.790 0.185 0.621 0.000 0.000 0.000 3/30000 960.0 0.782 0.183 0.614 0.000 0.000 0.000 3/30000 970.0 0.774 0.181 0.608 0.000 0.000 0.000 3/30000 980.0 0.766 0.179 0.602 0.000 0.000 0.000 3/30000 990.0 0.759 0.178 0.596 0.000 0.000 0.000 3/30000 1000.0 0.751 0.176 0.590 0.000 0.000 0.000 3/30000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:04:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|