----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:21:03]------------------------- 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 2.718025580000000 -6.014946760000000 0.000000000000000 b 2.718025580000000 6.014946760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.823919510000000 Atomic positions (fractional): *1 Li 0.21461332497345 0.78538667502655 0.75000000000000 6.941 2 Li 0.78538667502655 0.21461332497345 0.25000000000000 6.941 *3 Bi 0.34556545912661 0.65443454087339 0.00877991118088 208.980 *4 Bi 0.85967576587500 0.14032423412500 0.75000000000000 208.980 5 Bi 0.14032423412500 0.85967576587500 0.25000000000000 208.980 6 Bi 0.65443454087339 0.34556545912661 0.99122008881912 208.980 7 Bi 0.34556545912661 0.65443454087339 0.49122008881912 208.980 8 Bi 0.65443454087339 0.34556545912661 0.50877991118088 208.980 *9 Cl 0.49308352222484 0.50691647777516 0.75000000000000 35.453 10 Cl 0.50691647777516 0.49308352222484 0.25000000000000 35.453 *11 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 12 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 *13 O 0.00642412232188 0.48713180817615 0.87596682023076 15.999 14 O 0.99357587767812 0.51286819182385 0.12403317976924 15.999 15 O 0.51286819182385 0.99357587767812 0.87596682023076 15.999 16 O 0.48713180817615 0.00642412232188 0.12403317976924 15.999 17 O 0.99357587767812 0.51286819182385 0.37596682023076 15.999 18 O 0.00642412232188 0.48713180817615 0.62403317976924 15.999 19 O 0.48713180817615 0.00642412232188 0.37596682023076 15.999 20 O 0.51286819182385 0.99357587767812 0.62403317976924 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.436051160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.029893520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.823919510000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.28538667502655 0.75000000000000 6.941 > 1 2 Li 0.00000000000000 0.21461332497345 0.25000000000000 6.941 > 2 3 Li 0.00000000000000 0.78538667502655 0.75000000000000 6.941 > 1 4 Li 0.50000000000000 0.71461332497345 0.25000000000000 6.941 > 2 *5 Bi 0.50000000000000 0.15443454087339 0.00877991118088 208.980 > 3 *6 Bi 0.00000000000000 0.14032423412500 0.75000000000000 208.980 > 4 7 Bi 0.50000000000000 0.35967576587500 0.25000000000000 208.980 > 5 8 Bi 0.00000000000000 0.34556545912661 0.99122008881912 208.980 > 6 9 Bi 0.50000000000000 0.15443454087339 0.49122008881912 208.980 > 7 10 Bi 0.00000000000000 0.34556545912661 0.50877991118088 208.980 > 8 11 Bi 0.00000000000000 0.65443454087339 0.00877991118088 208.980 > 3 12 Bi 0.50000000000000 0.64032423412500 0.75000000000000 208.980 > 4 13 Bi 0.00000000000000 0.85967576587500 0.25000000000000 208.980 > 5 14 Bi 0.50000000000000 0.84556545912661 0.99122008881912 208.980 > 6 15 Bi 0.00000000000000 0.65443454087339 0.49122008881912 208.980 > 7 16 Bi 0.50000000000000 0.84556545912661 0.50877991118088 208.980 > 8 *17 Cl 0.50000000000000 0.00691647777516 0.75000000000000 35.453 > 9 18 Cl 0.00000000000000 0.49308352222484 0.25000000000000 35.453 > 10 *19 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 11 20 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 12 21 Cl 0.00000000000000 0.50691647777516 0.75000000000000 35.453 > 9 22 Cl 0.50000000000000 0.99308352222484 0.25000000000000 35.453 > 10 23 Cl 0.50000000000000 0.50000000000000 0.00000000000000 35.453 > 11 24 Cl 0.50000000000000 0.50000000000000 0.50000000000000 35.453 > 12 *25 O 0.24677796524902 0.24035384292713 0.87596682023076 15.999 > 13 26 O 0.25322203475098 0.25964615707287 0.12403317976924 15.999 > 14 27 O 0.75322203475098 0.24035384292713 0.87596682023076 15.999 > 15 28 O 0.74677796524902 0.25964615707287 0.12403317976924 15.999 > 16 29 O 0.25322203475098 0.25964615707287 0.37596682023076 15.999 > 17 30 O 0.24677796524902 0.24035384292713 0.62403317976924 15.999 > 18 31 O 0.74677796524902 0.25964615707287 0.37596682023076 15.999 > 19 32 O 0.75322203475098 0.24035384292713 0.62403317976924 15.999 > 20 33 O 0.74677796524902 0.74035384292713 0.87596682023076 15.999 > 13 34 O 0.75322203475098 0.75964615707287 0.12403317976924 15.999 > 14 35 O 0.25322203475098 0.74035384292713 0.87596682023076 15.999 > 15 36 O 0.24677796524902 0.75964615707287 0.12403317976924 15.999 > 16 37 O 0.75322203475098 0.75964615707287 0.37596682023076 15.999 > 17 38 O 0.74677796524902 0.74035384292713 0.62403317976924 15.999 > 18 39 O 0.24677796524902 0.75964615707287 0.37596682023076 15.999 > 19 40 O 0.25322203475098 0.74035384292713 0.62403317976924 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.872102320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.029893520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.823919510000000 Atomic positions (fractional): *1 Li 0.25000000000000 0.28538667502655 0.75000000000000 6.941 > 1 2 Li 0.75000000000000 0.28538667502655 0.75000000000000 6.941 > 1 3 Li 0.00000000000000 0.21461332497345 0.25000000000000 6.941 > 2 4 Li 0.50000000000000 0.21461332497345 0.25000000000000 6.941 > 2 5 Li 0.00000000000000 0.78538667502655 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.78538667502655 0.75000000000000 6.941 > 1 7 Li 0.25000000000000 0.71461332497345 0.25000000000000 6.941 > 2 8 Li 0.75000000000000 0.71461332497345 0.25000000000000 6.941 > 2 *9 Bi 0.25000000000000 0.15443454087339 0.00877991118088 208.980 > 3 10 Bi 0.75000000000000 0.15443454087339 0.00877991118088 208.980 > 3 *11 Bi 0.00000000000000 0.14032423412500 0.75000000000000 208.980 > 4 12 Bi 0.50000000000000 0.14032423412500 0.75000000000000 208.980 > 4 13 Bi 0.25000000000000 0.35967576587500 0.25000000000000 208.980 > 5 14 Bi 0.75000000000000 0.35967576587500 0.25000000000000 208.980 > 5 15 Bi 0.00000000000000 0.34556545912661 0.99122008881912 208.980 > 6 16 Bi 0.50000000000000 0.34556545912661 0.99122008881912 208.980 > 6 17 Bi 0.25000000000000 0.15443454087339 0.49122008881912 208.980 > 7 18 Bi 0.75000000000000 0.15443454087339 0.49122008881912 208.980 > 7 19 Bi 0.00000000000000 0.34556545912661 0.50877991118088 208.980 > 8 20 Bi 0.50000000000000 0.34556545912661 0.50877991118088 208.980 > 8 21 Bi 0.00000000000000 0.65443454087339 0.00877991118088 208.980 > 3 22 Bi 0.50000000000000 0.65443454087339 0.00877991118088 208.980 > 3 23 Bi 0.25000000000000 0.64032423412500 0.75000000000000 208.980 > 4 24 Bi 0.75000000000000 0.64032423412500 0.75000000000000 208.980 > 4 25 Bi 0.00000000000000 0.85967576587500 0.25000000000000 208.980 > 5 26 Bi 0.50000000000000 0.85967576587500 0.25000000000000 208.980 > 5 27 Bi 0.25000000000000 0.84556545912661 0.99122008881912 208.980 > 6 28 Bi 0.75000000000000 0.84556545912661 0.99122008881912 208.980 > 6 29 Bi 0.00000000000000 0.65443454087339 0.49122008881912 208.980 > 7 30 Bi 0.50000000000000 0.65443454087339 0.49122008881912 208.980 > 7 31 Bi 0.25000000000000 0.84556545912661 0.50877991118088 208.980 > 8 32 Bi 0.75000000000000 0.84556545912661 0.50877991118088 208.980 > 8 *33 Cl 0.25000000000000 0.00691647777516 0.75000000000000 35.453 > 9 34 Cl 0.75000000000000 0.00691647777516 0.75000000000000 35.453 > 9 35 Cl 0.00000000000000 0.49308352222484 0.25000000000000 35.453 > 10 36 Cl 0.50000000000000 0.49308352222484 0.25000000000000 35.453 > 10 *37 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 11 38 Cl 0.50000000000000 0.00000000000000 0.00000000000000 35.453 > 11 39 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 12 40 Cl 0.50000000000000 0.00000000000000 0.50000000000000 35.453 > 12 41 Cl 0.00000000000000 0.50691647777516 0.75000000000000 35.453 > 9 42 Cl 0.50000000000000 0.50691647777516 0.75000000000000 35.453 > 9 43 Cl 0.25000000000000 0.99308352222484 0.25000000000000 35.453 > 10 44 Cl 0.75000000000000 0.99308352222484 0.25000000000000 35.453 > 10 45 Cl 0.25000000000000 0.50000000000000 0.00000000000000 35.453 > 11 46 Cl 0.75000000000000 0.50000000000000 0.00000000000000 35.453 > 11 47 Cl 0.25000000000000 0.50000000000000 0.50000000000000 35.453 > 12 48 Cl 0.75000000000000 0.50000000000000 0.50000000000000 35.453 > 12 *49 O 0.12338898262451 0.24035384292713 0.87596682023076 15.999 > 13 50 O 0.62338898262451 0.24035384292713 0.87596682023076 15.999 > 13 51 O 0.12661101737549 0.25964615707287 0.12403317976924 15.999 > 14 52 O 0.62661101737549 0.25964615707287 0.12403317976924 15.999 > 14 53 O 0.37661101737549 0.24035384292713 0.87596682023076 15.999 > 15 54 O 0.87661101737549 0.24035384292713 0.87596682023076 15.999 > 15 55 O 0.37338898262451 0.25964615707287 0.12403317976924 15.999 > 16 56 O 0.87338898262451 0.25964615707287 0.12403317976924 15.999 > 16 57 O 0.12661101737549 0.25964615707287 0.37596682023076 15.999 > 17 58 O 0.62661101737549 0.25964615707287 0.37596682023076 15.999 > 17 59 O 0.12338898262451 0.24035384292713 0.62403317976924 15.999 > 18 60 O 0.62338898262451 0.24035384292713 0.62403317976924 15.999 > 18 61 O 0.37338898262451 0.25964615707287 0.37596682023076 15.999 > 19 62 O 0.87338898262451 0.25964615707287 0.37596682023076 15.999 > 19 63 O 0.37661101737549 0.24035384292713 0.62403317976924 15.999 > 20 64 O 0.87661101737549 0.24035384292713 0.62403317976924 15.999 > 20 65 O 0.37338898262451 0.74035384292713 0.87596682023076 15.999 > 13 66 O 0.87338898262451 0.74035384292713 0.87596682023076 15.999 > 13 67 O 0.37661101737549 0.75964615707287 0.12403317976924 15.999 > 14 68 O 0.87661101737549 0.75964615707287 0.12403317976924 15.999 > 14 69 O 0.12661101737549 0.74035384292713 0.87596682023076 15.999 > 15 70 O 0.62661101737549 0.74035384292713 0.87596682023076 15.999 > 15 71 O 0.12338898262451 0.75964615707287 0.12403317976924 15.999 > 16 72 O 0.62338898262451 0.75964615707287 0.12403317976924 15.999 > 16 73 O 0.37661101737549 0.75964615707287 0.37596682023076 15.999 > 17 74 O 0.87661101737549 0.75964615707287 0.37596682023076 15.999 > 17 75 O 0.37338898262451 0.74035384292713 0.62403317976924 15.999 > 18 76 O 0.87338898262451 0.74035384292713 0.62403317976924 15.999 > 18 77 O 0.12338898262451 0.75964615707287 0.37596682023076 15.999 > 19 78 O 0.62338898262451 0.75964615707287 0.37596682023076 15.999 > 19 79 O 0.12661101737549 0.74035384292713 0.62403317976924 15.999 > 20 80 O 0.62661101737549 0.74035384292713 0.62403317976924 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6574160 0.0000000 0.0000000 0.0000000 4.9021318 0.0000000 0.0000000 0.0000000 5.6558946 -------------------------- Born effective charges -------------------------- 1 Li 1.2952830 0.0000000 0.0000000 0.0000000 0.9143950 0.0000000 0.0000000 0.0000000 1.3232665 2 Li 1.2952830 0.0000000 0.0000000 0.0000000 0.9143950 0.0000000 0.0000000 0.0000000 1.3232665 3 Bi 4.9159333 0.0000000 0.0000000 0.0000000 3.7679834 0.3074315 0.0000000 -0.0051296 3.9690134 4 Bi 4.3950408 0.0000000 0.0000000 0.0000000 3.0794498 0.0000000 0.0000000 0.0000000 5.9843916 5 Bi 4.3950408 0.0000000 0.0000000 0.0000000 3.0794498 0.0000000 0.0000000 0.0000000 5.9843916 6 Bi 4.9159333 0.0000000 0.0000000 0.0000000 3.7679834 0.3074315 0.0000000 -0.0051296 3.9690134 7 Bi 4.9159333 0.0000000 0.0000000 0.0000000 3.7679834 -0.3074315 0.0000000 0.0051296 3.9690134 8 Bi 4.9159333 0.0000000 0.0000000 0.0000000 3.7679834 -0.3074315 0.0000000 0.0051296 3.9690134 9 Cl -1.6707804 0.0000000 0.0000000 0.0000000 -1.7527117 0.0000000 0.0000000 0.0000000 -2.1367521 10 Cl -1.6707804 0.0000000 0.0000000 0.0000000 -1.7527117 0.0000000 0.0000000 0.0000000 -2.1367521 11 Cl -2.1639018 0.0000000 0.0000000 0.0000000 -1.7214370 0.6356639 0.0000000 0.4884413 -1.6301531 12 Cl -2.1639018 0.0000000 0.0000000 0.0000000 -1.7214370 -0.6356639 0.0000000 -0.4884413 -1.6301531 13 O -2.9218771 0.7084394 -0.8124501 0.4467665 -2.0139157 -0.5297487 -0.6331441 -0.7975459 -2.8696949 14 O -2.9218771 0.7084394 -0.8124501 0.4467665 -2.0139157 -0.5297487 -0.6331441 -0.7975459 -2.8696949 15 O -2.9218771 -0.7084394 0.8124501 -0.4467665 -2.0139157 -0.5297487 0.6331441 -0.7975459 -2.8696949 16 O -2.9218771 -0.7084394 0.8124501 -0.4467665 -2.0139157 -0.5297487 0.6331441 -0.7975459 -2.8696949 17 O -2.9218771 0.7084394 0.8124501 0.4467665 -2.0139157 0.5297487 0.6331441 0.7975459 -2.8696949 18 O -2.9218771 0.7084394 0.8124501 0.4467665 -2.0139157 0.5297487 0.6331441 0.7975459 -2.8696949 19 O -2.9218771 -0.7084394 -0.8124501 -0.4467665 -2.0139157 0.5297487 -0.6331441 0.7975459 -2.8696949 20 O -2.9218771 -0.7084394 -0.8124501 -0.4467665 -2.0139157 0.5297487 -0.6331441 0.7975459 -2.8696949 ---------------------------------------------------------------------------- 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: 0.762 Solver_block: 200 / 320 - Time: 0.770 Solver_block: 300 / 320 - Time: 0.771 Solver_block: 320 / 320 - Time: 0.203 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.530 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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 2026-01-08 23:21:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:21:16]------------------------- 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 2.718025580000000 -6.014946760000000 0.000000000000000 b 2.718025580000000 6.014946760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.823919510000000 Atomic positions (fractional): 1 Li 0.21461332497345 0.78538667502655 0.75000000000000 6.941 2 Li 0.78538667502655 0.21461332497345 0.25000000000000 6.941 3 Bi 0.34556545912661 0.65443454087339 0.00877991118088 208.980 4 Bi 0.85967576587500 0.14032423412500 0.75000000000000 208.980 5 Bi 0.14032423412500 0.85967576587500 0.25000000000000 208.980 6 Bi 0.65443454087339 0.34556545912661 0.99122008881912 208.980 7 Bi 0.34556545912661 0.65443454087339 0.49122008881912 208.980 8 Bi 0.65443454087339 0.34556545912661 0.50877991118088 208.980 9 Cl 0.49308352222484 0.50691647777516 0.75000000000000 35.453 10 Cl 0.50691647777516 0.49308352222484 0.25000000000000 35.453 11 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 12 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 13 O 0.00642412232188 0.48713180817615 0.87596682023076 15.999 14 O 0.99357587767812 0.51286819182385 0.12403317976924 15.999 15 O 0.51286819182385 0.99357587767812 0.87596682023076 15.999 16 O 0.48713180817615 0.00642412232188 0.12403317976924 15.999 17 O 0.99357587767812 0.51286819182385 0.37596682023076 15.999 18 O 0.00642412232188 0.48713180817615 0.62403317976924 15.999 19 O 0.48713180817615 0.00642412232188 0.37596682023076 15.999 20 O 0.51286819182385 0.99357587767812 0.62403317976924 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.872102320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.029893520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.823919510000000 Atomic positions (fractional): 1 Li 0.25000000000000 0.28538667502655 0.75000000000000 6.941 > 1 2 Li 0.75000000000000 0.28538667502655 0.75000000000000 6.941 > 1 3 Li 0.00000000000000 0.21461332497345 0.25000000000000 6.941 > 3 4 Li 0.50000000000000 0.21461332497345 0.25000000000000 6.941 > 3 5 Li 0.00000000000000 0.78538667502655 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.78538667502655 0.75000000000000 6.941 > 1 7 Li 0.25000000000000 0.71461332497345 0.25000000000000 6.941 > 3 8 Li 0.75000000000000 0.71461332497345 0.25000000000000 6.941 > 3 9 Bi 0.25000000000000 0.15443454087339 0.00877991118088 208.980 > 9 10 Bi 0.75000000000000 0.15443454087339 0.00877991118088 208.980 > 9 11 Bi 0.00000000000000 0.14032423412500 0.75000000000000 208.980 > 11 12 Bi 0.50000000000000 0.14032423412500 0.75000000000000 208.980 > 11 13 Bi 0.25000000000000 0.35967576587500 0.25000000000000 208.980 > 13 14 Bi 0.75000000000000 0.35967576587500 0.25000000000000 208.980 > 13 15 Bi 0.00000000000000 0.34556545912661 0.99122008881912 208.980 > 15 16 Bi 0.50000000000000 0.34556545912661 0.99122008881912 208.980 > 15 17 Bi 0.25000000000000 0.15443454087339 0.49122008881912 208.980 > 17 18 Bi 0.75000000000000 0.15443454087339 0.49122008881912 208.980 > 17 19 Bi 0.00000000000000 0.34556545912661 0.50877991118088 208.980 > 19 20 Bi 0.50000000000000 0.34556545912661 0.50877991118088 208.980 > 19 21 Bi 0.00000000000000 0.65443454087339 0.00877991118088 208.980 > 9 22 Bi 0.50000000000000 0.65443454087339 0.00877991118088 208.980 > 9 23 Bi 0.25000000000000 0.64032423412500 0.75000000000000 208.980 > 11 24 Bi 0.75000000000000 0.64032423412500 0.75000000000000 208.980 > 11 25 Bi 0.00000000000000 0.85967576587500 0.25000000000000 208.980 > 13 26 Bi 0.50000000000000 0.85967576587500 0.25000000000000 208.980 > 13 27 Bi 0.25000000000000 0.84556545912661 0.99122008881912 208.980 > 15 28 Bi 0.75000000000000 0.84556545912661 0.99122008881912 208.980 > 15 29 Bi 0.00000000000000 0.65443454087339 0.49122008881912 208.980 > 17 30 Bi 0.50000000000000 0.65443454087339 0.49122008881912 208.980 > 17 31 Bi 0.25000000000000 0.84556545912661 0.50877991118088 208.980 > 19 32 Bi 0.75000000000000 0.84556545912661 0.50877991118088 208.980 > 19 33 Cl 0.25000000000000 0.00691647777516 0.75000000000000 35.453 > 33 34 Cl 0.75000000000000 0.00691647777516 0.75000000000000 35.453 > 33 35 Cl 0.00000000000000 0.49308352222484 0.25000000000000 35.453 > 35 36 Cl 0.50000000000000 0.49308352222484 0.25000000000000 35.453 > 35 37 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 37 38 Cl 0.50000000000000 0.00000000000000 0.00000000000000 35.453 > 37 39 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 39 40 Cl 0.50000000000000 0.00000000000000 0.50000000000000 35.453 > 39 41 Cl 0.00000000000000 0.50691647777516 0.75000000000000 35.453 > 33 42 Cl 0.50000000000000 0.50691647777516 0.75000000000000 35.453 > 33 43 Cl 0.25000000000000 0.99308352222484 0.25000000000000 35.453 > 35 44 Cl 0.75000000000000 0.99308352222484 0.25000000000000 35.453 > 35 45 Cl 0.25000000000000 0.50000000000000 0.00000000000000 35.453 > 37 46 Cl 0.75000000000000 0.50000000000000 0.00000000000000 35.453 > 37 47 Cl 0.25000000000000 0.50000000000000 0.50000000000000 35.453 > 39 48 Cl 0.75000000000000 0.50000000000000 0.50000000000000 35.453 > 39 49 O 0.12338898262451 0.24035384292713 0.87596682023076 15.999 > 49 50 O 0.62338898262451 0.24035384292713 0.87596682023076 15.999 > 49 51 O 0.12661101737549 0.25964615707287 0.12403317976924 15.999 > 51 52 O 0.62661101737549 0.25964615707287 0.12403317976924 15.999 > 51 53 O 0.37661101737549 0.24035384292713 0.87596682023076 15.999 > 53 54 O 0.87661101737549 0.24035384292713 0.87596682023076 15.999 > 53 55 O 0.37338898262451 0.25964615707287 0.12403317976924 15.999 > 55 56 O 0.87338898262451 0.25964615707287 0.12403317976924 15.999 > 55 57 O 0.12661101737549 0.25964615707287 0.37596682023076 15.999 > 57 58 O 0.62661101737549 0.25964615707287 0.37596682023076 15.999 > 57 59 O 0.12338898262451 0.24035384292713 0.62403317976924 15.999 > 59 60 O 0.62338898262451 0.24035384292713 0.62403317976924 15.999 > 59 61 O 0.37338898262451 0.25964615707287 0.37596682023076 15.999 > 61 62 O 0.87338898262451 0.25964615707287 0.37596682023076 15.999 > 61 63 O 0.37661101737549 0.24035384292713 0.62403317976924 15.999 > 63 64 O 0.87661101737549 0.24035384292713 0.62403317976924 15.999 > 63 65 O 0.37338898262451 0.74035384292713 0.87596682023076 15.999 > 49 66 O 0.87338898262451 0.74035384292713 0.87596682023076 15.999 > 49 67 O 0.37661101737549 0.75964615707287 0.12403317976924 15.999 > 51 68 O 0.87661101737549 0.75964615707287 0.12403317976924 15.999 > 51 69 O 0.12661101737549 0.74035384292713 0.87596682023076 15.999 > 53 70 O 0.62661101737549 0.74035384292713 0.87596682023076 15.999 > 53 71 O 0.12338898262451 0.75964615707287 0.12403317976924 15.999 > 55 72 O 0.62338898262451 0.75964615707287 0.12403317976924 15.999 > 55 73 O 0.37661101737549 0.75964615707287 0.37596682023076 15.999 > 57 74 O 0.87661101737549 0.75964615707287 0.37596682023076 15.999 > 57 75 O 0.37338898262451 0.74035384292713 0.62403317976924 15.999 > 59 76 O 0.87338898262451 0.74035384292713 0.62403317976924 15.999 > 59 77 O 0.12338898262451 0.75964615707287 0.37596682023076 15.999 > 61 78 O 0.62338898262451 0.75964615707287 0.37596682023076 15.999 > 61 79 O 0.12661101737549 0.74035384292713 0.62403317976924 15.999 > 63 80 O 0.62661101737549 0.74035384292713 0.62403317976924 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6574160 0.0000000 0.0000000 0.0000000 4.9021318 0.0000000 0.0000000 0.0000000 5.6558946 -------------------------- Born effective charges -------------------------- 1 Li 1.2952830 0.0000000 0.0000000 0.0000000 0.9143950 0.0000000 0.0000000 0.0000000 1.3232665 2 Li 1.2952830 0.0000000 0.0000000 0.0000000 0.9143950 0.0000000 0.0000000 0.0000000 1.3232665 3 Bi 4.9159333 0.0000000 0.0000000 0.0000000 3.7679834 0.3074315 0.0000000 -0.0051296 3.9690134 4 Bi 4.3950408 0.0000000 0.0000000 0.0000000 3.0794498 0.0000000 0.0000000 0.0000000 5.9843916 5 Bi 4.3950408 0.0000000 0.0000000 0.0000000 3.0794498 0.0000000 0.0000000 0.0000000 5.9843916 6 Bi 4.9159333 0.0000000 0.0000000 0.0000000 3.7679834 0.3074315 0.0000000 -0.0051296 3.9690134 7 Bi 4.9159333 0.0000000 0.0000000 0.0000000 3.7679834 -0.3074315 0.0000000 0.0051296 3.9690134 8 Bi 4.9159333 0.0000000 0.0000000 0.0000000 3.7679834 -0.3074315 0.0000000 0.0051296 3.9690134 9 Cl -1.6707804 0.0000000 0.0000000 0.0000000 -1.7527117 0.0000000 0.0000000 0.0000000 -2.1367521 10 Cl -1.6707804 0.0000000 0.0000000 0.0000000 -1.7527117 0.0000000 0.0000000 0.0000000 -2.1367521 11 Cl -2.1639018 0.0000000 0.0000000 0.0000000 -1.7214370 0.6356639 0.0000000 0.4884413 -1.6301531 12 Cl -2.1639018 0.0000000 0.0000000 0.0000000 -1.7214370 -0.6356639 0.0000000 -0.4884413 -1.6301531 13 O -2.9218771 0.7084394 -0.8124501 0.4467665 -2.0139157 -0.5297487 -0.6331441 -0.7975459 -2.8696949 14 O -2.9218771 0.7084394 -0.8124501 0.4467665 -2.0139157 -0.5297487 -0.6331441 -0.7975459 -2.8696949 15 O -2.9218771 -0.7084394 0.8124501 -0.4467665 -2.0139157 -0.5297487 0.6331441 -0.7975459 -2.8696949 16 O -2.9218771 -0.7084394 0.8124501 -0.4467665 -2.0139157 -0.5297487 0.6331441 -0.7975459 -2.8696949 17 O -2.9218771 0.7084394 0.8124501 0.4467665 -2.0139157 0.5297487 0.6331441 0.7975459 -2.8696949 18 O -2.9218771 0.7084394 0.8124501 0.4467665 -2.0139157 0.5297487 0.6331441 0.7975459 -2.8696949 19 O -2.9218771 -0.7084394 -0.8124501 -0.4467665 -2.0139157 0.5297487 -0.6331441 0.7975459 -2.8696949 20 O -2.9218771 -0.7084394 -0.8124501 -0.4467665 -2.0139157 0.5297487 -0.6331441 0.7975459 -2.8696949 ---------------------------------------------------------------------------- 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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:21:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:21:27]------------------------- 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 2.718025580000000 -6.014946760000000 0.000000000000000 b 2.718025580000000 6.014946760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.823919510000000 Atomic positions (fractional): 1 Li 0.21461332497345 0.78538667502655 0.75000000000000 6.941 2 Li 0.78538667502655 0.21461332497345 0.25000000000000 6.941 3 Bi 0.34556545912661 0.65443454087339 0.00877991118088 208.980 4 Bi 0.85967576587500 0.14032423412500 0.75000000000000 208.980 5 Bi 0.14032423412500 0.85967576587500 0.25000000000000 208.980 6 Bi 0.65443454087339 0.34556545912661 0.99122008881912 208.980 7 Bi 0.34556545912661 0.65443454087339 0.49122008881912 208.980 8 Bi 0.65443454087339 0.34556545912661 0.50877991118088 208.980 9 Cl 0.49308352222484 0.50691647777516 0.75000000000000 35.453 10 Cl 0.50691647777516 0.49308352222484 0.25000000000000 35.453 11 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 12 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 13 O 0.00642412232188 0.48713180817615 0.87596682023076 15.999 14 O 0.99357587767812 0.51286819182385 0.12403317976924 15.999 15 O 0.51286819182385 0.99357587767812 0.87596682023076 15.999 16 O 0.48713180817615 0.00642412232188 0.12403317976924 15.999 17 O 0.99357587767812 0.51286819182385 0.37596682023076 15.999 18 O 0.00642412232188 0.48713180817615 0.62403317976924 15.999 19 O 0.48713180817615 0.00642412232188 0.37596682023076 15.999 20 O 0.51286819182385 0.99357587767812 0.62403317976924 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.872102320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.029893520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.823919510000000 Atomic positions (fractional): 1 Li 0.25000000000000 0.28538667502655 0.75000000000000 6.941 > 1 2 Li 0.75000000000000 0.28538667502655 0.75000000000000 6.941 > 1 3 Li 0.00000000000000 0.21461332497345 0.25000000000000 6.941 > 3 4 Li 0.50000000000000 0.21461332497345 0.25000000000000 6.941 > 3 5 Li 0.00000000000000 0.78538667502655 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.78538667502655 0.75000000000000 6.941 > 1 7 Li 0.25000000000000 0.71461332497345 0.25000000000000 6.941 > 3 8 Li 0.75000000000000 0.71461332497345 0.25000000000000 6.941 > 3 9 Bi 0.25000000000000 0.15443454087339 0.00877991118088 208.980 > 9 10 Bi 0.75000000000000 0.15443454087339 0.00877991118088 208.980 > 9 11 Bi 0.00000000000000 0.14032423412500 0.75000000000000 208.980 > 11 12 Bi 0.50000000000000 0.14032423412500 0.75000000000000 208.980 > 11 13 Bi 0.25000000000000 0.35967576587500 0.25000000000000 208.980 > 13 14 Bi 0.75000000000000 0.35967576587500 0.25000000000000 208.980 > 13 15 Bi 0.00000000000000 0.34556545912661 0.99122008881912 208.980 > 15 16 Bi 0.50000000000000 0.34556545912661 0.99122008881912 208.980 > 15 17 Bi 0.25000000000000 0.15443454087339 0.49122008881912 208.980 > 17 18 Bi 0.75000000000000 0.15443454087339 0.49122008881912 208.980 > 17 19 Bi 0.00000000000000 0.34556545912661 0.50877991118088 208.980 > 19 20 Bi 0.50000000000000 0.34556545912661 0.50877991118088 208.980 > 19 21 Bi 0.00000000000000 0.65443454087339 0.00877991118088 208.980 > 9 22 Bi 0.50000000000000 0.65443454087339 0.00877991118088 208.980 > 9 23 Bi 0.25000000000000 0.64032423412500 0.75000000000000 208.980 > 11 24 Bi 0.75000000000000 0.64032423412500 0.75000000000000 208.980 > 11 25 Bi 0.00000000000000 0.85967576587500 0.25000000000000 208.980 > 13 26 Bi 0.50000000000000 0.85967576587500 0.25000000000000 208.980 > 13 27 Bi 0.25000000000000 0.84556545912661 0.99122008881912 208.980 > 15 28 Bi 0.75000000000000 0.84556545912661 0.99122008881912 208.980 > 15 29 Bi 0.00000000000000 0.65443454087339 0.49122008881912 208.980 > 17 30 Bi 0.50000000000000 0.65443454087339 0.49122008881912 208.980 > 17 31 Bi 0.25000000000000 0.84556545912661 0.50877991118088 208.980 > 19 32 Bi 0.75000000000000 0.84556545912661 0.50877991118088 208.980 > 19 33 Cl 0.25000000000000 0.00691647777516 0.75000000000000 35.453 > 33 34 Cl 0.75000000000000 0.00691647777516 0.75000000000000 35.453 > 33 35 Cl 0.00000000000000 0.49308352222484 0.25000000000000 35.453 > 35 36 Cl 0.50000000000000 0.49308352222484 0.25000000000000 35.453 > 35 37 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 37 38 Cl 0.50000000000000 0.00000000000000 0.00000000000000 35.453 > 37 39 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 39 40 Cl 0.50000000000000 0.00000000000000 0.50000000000000 35.453 > 39 41 Cl 0.00000000000000 0.50691647777516 0.75000000000000 35.453 > 33 42 Cl 0.50000000000000 0.50691647777516 0.75000000000000 35.453 > 33 43 Cl 0.25000000000000 0.99308352222484 0.25000000000000 35.453 > 35 44 Cl 0.75000000000000 0.99308352222484 0.25000000000000 35.453 > 35 45 Cl 0.25000000000000 0.50000000000000 0.00000000000000 35.453 > 37 46 Cl 0.75000000000000 0.50000000000000 0.00000000000000 35.453 > 37 47 Cl 0.25000000000000 0.50000000000000 0.50000000000000 35.453 > 39 48 Cl 0.75000000000000 0.50000000000000 0.50000000000000 35.453 > 39 49 O 0.12338898262451 0.24035384292713 0.87596682023076 15.999 > 49 50 O 0.62338898262451 0.24035384292713 0.87596682023076 15.999 > 49 51 O 0.12661101737549 0.25964615707287 0.12403317976924 15.999 > 51 52 O 0.62661101737549 0.25964615707287 0.12403317976924 15.999 > 51 53 O 0.37661101737549 0.24035384292713 0.87596682023076 15.999 > 53 54 O 0.87661101737549 0.24035384292713 0.87596682023076 15.999 > 53 55 O 0.37338898262451 0.25964615707287 0.12403317976924 15.999 > 55 56 O 0.87338898262451 0.25964615707287 0.12403317976924 15.999 > 55 57 O 0.12661101737549 0.25964615707287 0.37596682023076 15.999 > 57 58 O 0.62661101737549 0.25964615707287 0.37596682023076 15.999 > 57 59 O 0.12338898262451 0.24035384292713 0.62403317976924 15.999 > 59 60 O 0.62338898262451 0.24035384292713 0.62403317976924 15.999 > 59 61 O 0.37338898262451 0.25964615707287 0.37596682023076 15.999 > 61 62 O 0.87338898262451 0.25964615707287 0.37596682023076 15.999 > 61 63 O 0.37661101737549 0.24035384292713 0.62403317976924 15.999 > 63 64 O 0.87661101737549 0.24035384292713 0.62403317976924 15.999 > 63 65 O 0.37338898262451 0.74035384292713 0.87596682023076 15.999 > 49 66 O 0.87338898262451 0.74035384292713 0.87596682023076 15.999 > 49 67 O 0.37661101737549 0.75964615707287 0.12403317976924 15.999 > 51 68 O 0.87661101737549 0.75964615707287 0.12403317976924 15.999 > 51 69 O 0.12661101737549 0.74035384292713 0.87596682023076 15.999 > 53 70 O 0.62661101737549 0.74035384292713 0.87596682023076 15.999 > 53 71 O 0.12338898262451 0.75964615707287 0.12403317976924 15.999 > 55 72 O 0.62338898262451 0.75964615707287 0.12403317976924 15.999 > 55 73 O 0.37661101737549 0.75964615707287 0.37596682023076 15.999 > 57 74 O 0.87661101737549 0.75964615707287 0.37596682023076 15.999 > 57 75 O 0.37338898262451 0.74035384292713 0.62403317976924 15.999 > 59 76 O 0.87338898262451 0.74035384292713 0.62403317976924 15.999 > 59 77 O 0.12338898262451 0.75964615707287 0.37596682023076 15.999 > 61 78 O 0.62338898262451 0.75964615707287 0.37596682023076 15.999 > 61 79 O 0.12661101737549 0.74035384292713 0.62403317976924 15.999 > 63 80 O 0.62661101737549 0.74035384292713 0.62403317976924 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6574160 0.0000000 0.0000000 0.0000000 4.9021318 0.0000000 0.0000000 0.0000000 5.6558946 -------------------------- Born effective charges -------------------------- 1 Li 1.2952830 0.0000000 0.0000000 0.0000000 0.9143950 0.0000000 0.0000000 0.0000000 1.3232665 2 Li 1.2952830 0.0000000 0.0000000 0.0000000 0.9143950 0.0000000 0.0000000 0.0000000 1.3232665 3 Bi 4.9159333 0.0000000 0.0000000 0.0000000 3.7679834 0.3074315 0.0000000 -0.0051296 3.9690134 4 Bi 4.3950408 0.0000000 0.0000000 0.0000000 3.0794498 0.0000000 0.0000000 0.0000000 5.9843916 5 Bi 4.3950408 0.0000000 0.0000000 0.0000000 3.0794498 0.0000000 0.0000000 0.0000000 5.9843916 6 Bi 4.9159333 0.0000000 0.0000000 0.0000000 3.7679834 0.3074315 0.0000000 -0.0051296 3.9690134 7 Bi 4.9159333 0.0000000 0.0000000 0.0000000 3.7679834 -0.3074315 0.0000000 0.0051296 3.9690134 8 Bi 4.9159333 0.0000000 0.0000000 0.0000000 3.7679834 -0.3074315 0.0000000 0.0051296 3.9690134 9 Cl -1.6707804 0.0000000 0.0000000 0.0000000 -1.7527117 0.0000000 0.0000000 0.0000000 -2.1367521 10 Cl -1.6707804 0.0000000 0.0000000 0.0000000 -1.7527117 0.0000000 0.0000000 0.0000000 -2.1367521 11 Cl -2.1639018 0.0000000 0.0000000 0.0000000 -1.7214370 0.6356639 0.0000000 0.4884413 -1.6301531 12 Cl -2.1639018 0.0000000 0.0000000 0.0000000 -1.7214370 -0.6356639 0.0000000 -0.4884413 -1.6301531 13 O -2.9218771 0.7084394 -0.8124501 0.4467665 -2.0139157 -0.5297487 -0.6331441 -0.7975459 -2.8696949 14 O -2.9218771 0.7084394 -0.8124501 0.4467665 -2.0139157 -0.5297487 -0.6331441 -0.7975459 -2.8696949 15 O -2.9218771 -0.7084394 0.8124501 -0.4467665 -2.0139157 -0.5297487 0.6331441 -0.7975459 -2.8696949 16 O -2.9218771 -0.7084394 0.8124501 -0.4467665 -2.0139157 -0.5297487 0.6331441 -0.7975459 -2.8696949 17 O -2.9218771 0.7084394 0.8124501 0.4467665 -2.0139157 0.5297487 0.6331441 0.7975459 -2.8696949 18 O -2.9218771 0.7084394 0.8124501 0.4467665 -2.0139157 0.5297487 0.6331441 0.7975459 -2.8696949 19 O -2.9218771 -0.7084394 -0.8124501 -0.4467665 -2.0139157 0.5297487 -0.6331441 0.7975459 -2.8696949 20 O -2.9218771 -0.7084394 -0.8124501 -0.4467665 -2.0139157 0.5297487 -0.6331441 0.7975459 -2.8696949 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) 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: 0.59, Number of G-points: 293, Lambda: 0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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 1.148 ( 0.000 0.000 0.000) 0.000 1.441 ( 0.000 0.000 0.000) 0.000 1.599 ( 0.000 0.000 0.000) 0.000 1.732 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.527 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.803 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 3.879 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 4.690 ( 0.000 0.000 0.000) 0.000 7.368 ( 0.000 0.000 0.000) 0.000 7.742 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.421 ( 0.000 0.000 0.000) 0.000 8.499 ( 0.000 0.000 0.000) 0.000 8.644 ( 0.000 0.000 0.000) 0.000 9.399 ( 0.000 0.000 0.000) 0.000 9.662 ( 0.000 0.000 0.000) 0.000 9.934 ( 0.000 0.000 0.000) 0.000 10.705 ( 0.000 0.000 0.000) 0.000 11.206 ( 0.000 0.000 0.000) 0.000 11.287 ( 0.000 0.000 0.000) 0.000 11.304 ( 0.000 0.000 0.000) 0.000 11.586 ( 0.000 0.000 0.000) 0.000 11.631 ( 0.000 0.000 0.000) 0.000 11.997 ( 0.000 0.000 0.000) 0.000 12.218 ( 0.000 0.000 0.000) 0.000 12.470 ( 0.000 0.000 0.000) 0.000 12.562 ( 0.000 0.000 0.000) 0.000 12.735 ( 0.000 0.000 0.000) 0.000 13.783 ( 0.000 0.000 0.000) 0.000 14.653 ( 0.000 0.000 0.000) 0.000 14.723 ( 0.000 0.000 0.000) 0.000 15.023 ( 0.000 0.000 0.000) 0.000 15.757 ( 0.000 0.000 0.000) 0.000 16.336 ( 0.000 0.000 0.000) 0.000 16.661 ( 0.000 0.000 0.000) 0.000 16.818 ( 0.000 0.000 0.000) 0.000 16.999 ( 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.300 ( 10.043 -13.461 0.000) 16.795 0.342 ( 15.724 -5.524 0.000) 16.666 0.822 ( 41.445 -2.669 0.000) 41.531 1.199 ( 3.789 -3.409 0.000) 5.097 1.547 ( 10.230 0.033 0.000) 10.230 1.618 ( 2.273 0.647 0.000) 2.364 1.843 ( 10.910 0.174 0.000) 10.911 2.288 ( 0.954 -0.483 0.000) 1.069 2.292 ( -1.137 -1.612 0.000) 1.973 2.420 ( -3.440 -0.106 0.000) 3.442 2.575 ( -2.124 0.979 0.000) 2.339 2.974 ( -1.377 3.596 0.000) 3.851 3.016 ( 0.788 2.185 0.000) 2.323 3.095 ( -0.695 -2.607 0.000) 2.698 3.128 ( -2.679 2.964 0.000) 3.995 3.225 ( 5.590 -0.277 0.000) 5.597 3.239 ( -0.780 -2.003 0.000) 2.150 3.275 ( 2.698 -0.396 0.000) 2.727 3.418 ( -2.576 0.034 0.000) 2.577 3.679 ( -1.751 -0.484 0.000) 1.817 3.759 ( -9.202 0.694 0.000) 9.228 3.818 ( 1.459 1.078 0.000) 1.815 3.847 ( 2.251 3.726 0.000) 4.353 3.991 ( -2.939 0.893 0.000) 3.071 4.140 ( -1.989 -3.809 0.000) 4.298 4.267 ( -5.091 2.472 0.000) 5.659 4.448 ( -8.361 -9.018 0.000) 12.298 4.511 ( 8.657 -0.792 0.000) 8.694 4.584 ( 1.356 -0.056 0.000) 1.357 4.687 ( -1.956 -3.205 0.000) 3.754 7.459 ( 9.570 -0.106 0.000) 9.570 7.901 ( 16.150 0.001 0.000) 16.150 8.300 ( -5.151 0.007 0.000) 5.151 8.343 ( 12.901 -0.133 0.000) 12.902 8.522 ( 5.608 0.018 0.000) 5.608 8.582 ( -4.231 0.168 0.000) 4.234 8.766 ( 20.584 2.038 0.000) 20.685 9.613 ( -5.144 -0.531 0.000) 5.171 9.769 ( 36.189 0.018 0.000) 36.189 10.789 ( 9.214 -0.069 0.000) 9.214 10.904 ( 2.991 9.352 0.000) 9.818 11.204 ( -6.191 -0.588 0.000) 6.219 11.285 ( 8.159 1.033 0.000) 8.224 11.331 ( 2.857 -0.037 0.000) 2.857 11.641 ( 0.946 -0.081 0.000) 0.949 11.734 ( 12.429 -0.786 0.000) 12.454 12.199 ( -2.078 -0.180 0.000) 2.085 12.476 ( 1.086 1.183 0.000) 1.606 12.543 ( 5.420 2.995 0.000) 6.192 12.669 ( -1.069 2.486 0.000) 2.706 13.808 ( 2.754 0.077 0.000) 2.755 14.596 ( -6.124 0.145 0.000) 6.126 14.729 ( 3.687 8.715 0.000) 9.463 14.891 ( 12.546 40.987 0.000) 42.864 15.080 ( 29.639 55.613 0.000) 63.018 16.183 ( -9.333 -9.347 0.000) 13.208 16.279 ( -6.310 0.289 0.000) 6.316 16.686 ( -12.254 3.275 0.000) 12.684 16.867 ( -23.406 -40.209 0.000) 46.526 16.966 ( -3.379 0.565 0.000) 3.426 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.593 ( 10.712 -11.416 0.000) 15.655 0.665 ( 14.940 -4.200 0.000) 15.519 1.334 ( 6.821 -5.203 0.000) 8.578 1.529 ( 32.091 -1.531 0.000) 32.128 1.673 ( 4.722 1.334 0.000) 4.907 1.745 ( 9.725 0.966 0.000) 9.773 2.062 ( 10.933 -0.812 0.000) 10.963 2.296 ( 0.718 -1.308 0.000) 1.492 2.310 ( -0.013 0.340 0.000) 0.340 2.346 ( -3.108 -0.894 0.000) 3.234 2.510 ( -3.976 -0.197 0.000) 3.981 2.892 ( -4.616 4.441 0.000) 6.406 2.991 ( -1.257 4.091 0.000) 4.279 3.014 ( -5.844 -1.539 0.000) 6.043 3.126 ( 0.350 -1.233 0.000) 1.282 3.225 ( -3.648 -2.574 0.000) 4.464 3.338 ( 3.471 -0.391 0.000) 3.493 3.346 ( 6.161 -0.739 0.000) 6.205 3.364 ( -2.842 0.052 0.000) 2.843 3.567 ( -9.441 1.046 0.000) 9.499 3.644 ( -2.658 -0.527 0.000) 2.710 3.828 ( 1.082 1.301 0.000) 1.692 3.871 ( 1.277 0.131 0.000) 1.283 3.925 ( -2.709 2.336 0.000) 3.577 4.125 ( -7.062 2.839 0.000) 7.611 4.136 ( -0.182 -0.475 0.000) 0.509 4.363 ( -3.316 1.898 0.000) 3.821 4.621 ( 4.016 1.112 0.000) 4.167 4.668 ( -2.753 -2.796 0.000) 3.924 4.690 ( 7.343 -3.288 0.000) 8.046 7.700 ( 15.724 -0.125 0.000) 15.725 8.238 ( -1.729 -0.118 0.000) 1.733 8.259 ( 19.761 -0.159 0.000) 19.761 8.424 ( -0.535 0.128 0.000) 0.550 8.537 ( 0.086 0.209 0.000) 0.226 8.904 ( 30.665 -0.090 0.000) 30.665 9.199 ( 27.806 2.244 0.000) 27.896 9.509 ( -5.762 -0.921 0.000) 5.835 10.535 ( 38.622 0.438 0.000) 38.624 10.892 ( 0.306 0.723 0.000) 0.785 11.095 ( 25.260 -0.036 0.000) 25.260 11.131 ( 1.439 -2.099 0.000) 2.545 11.409 ( 5.603 -0.076 0.000) 5.603 11.457 ( 10.516 0.630 0.000) 10.535 11.660 ( 0.701 -0.383 0.000) 0.799 11.984 ( 12.282 -0.315 0.000) 12.286 12.157 ( -1.095 -0.249 0.000) 1.123 12.453 ( -6.310 -2.898 0.000) 6.943 12.618 ( 2.936 0.106 0.000) 2.938 12.683 ( 6.539 -1.189 0.000) 6.646 13.880 ( 5.126 0.421 0.000) 5.143 14.427 ( -12.043 0.166 0.000) 12.044 14.654 ( -1.322 16.561 0.000) 16.614 14.780 ( -5.999 0.528 0.000) 6.023 15.200 ( 23.200 31.409 0.000) 39.048 16.071 ( -5.464 1.493 0.000) 5.665 16.085 ( -13.847 2.794 0.000) 14.126 16.353 ( -19.917 2.549 0.000) 20.079 16.733 ( -16.481 -16.554 0.000) 23.359 16.863 ( -6.917 1.325 0.000) 7.043 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.887 ( 11.838 -9.307 0.000) 15.058 0.959 ( 13.998 -2.456 0.000) 14.212 1.530 ( 9.031 -6.470 0.000) 11.110 1.731 ( 2.410 1.437 0.000) 2.806 1.823 ( -1.292 1.479 0.000) 1.964 1.979 ( 13.837 1.477 0.000) 13.915 2.227 ( 5.202 -3.486 0.000) 6.262 2.271 ( -0.128 2.619 0.000) 2.623 2.353 ( 5.263 0.194 0.000) 5.267 2.365 ( 2.049 -1.047 0.000) 2.301 2.484 ( 1.810 -1.769 0.000) 2.531 2.730 ( -8.178 3.269 0.000) 8.807 2.891 ( -5.199 5.039 0.000) 7.240 2.965 ( -0.258 -0.652 0.000) 0.701 3.118 ( -9.667 -1.479 0.000) 9.780 3.141 ( 0.469 -1.003 0.000) 1.107 3.310 ( -2.643 0.282 0.000) 2.658 3.399 ( 2.564 0.010 0.000) 2.564 3.443 ( -2.543 0.604 0.000) 2.614 3.455 ( 4.378 -1.100 0.000) 4.514 3.584 ( -3.988 0.645 0.000) 4.040 3.818 ( -0.978 3.747 0.000) 3.873 3.863 ( -1.724 2.003 0.000) 2.642 3.885 ( -0.845 -4.400 0.000) 4.481 3.984 ( -5.806 2.070 0.000) 6.164 4.135 ( -0.198 1.323 0.000) 1.338 4.328 ( 2.490 3.095 0.000) 3.972 4.636 ( -2.584 -1.584 0.000) 3.031 4.697 ( 5.354 2.052 0.000) 5.734 4.834 ( 4.415 -4.923 0.000) 6.613 7.996 ( 15.229 0.395 0.000) 15.234 8.231 ( 0.646 -0.078 0.000) 0.651 8.401 ( -1.556 -0.014 0.000) 1.556 8.520 ( 6.563 -0.542 0.000) 6.585 8.607 ( 8.188 -0.164 0.000) 8.190 9.440 ( -3.121 -1.228 0.000) 3.353 9.507 ( 32.480 -0.200 0.000) 32.480 9.721 ( 29.783 2.230 0.000) 29.866 10.902 ( 0.557 -1.427 0.000) 1.532 10.975 ( 14.433 0.581 0.000) 14.445 11.147 ( 3.255 -2.005 0.000) 3.823 11.533 ( 7.783 -0.038 0.000) 7.783 11.621 ( 3.289 0.277 0.000) 3.300 11.673 ( 3.217 -1.008 0.000) 3.371 11.959 ( 55.420 0.028 0.000) 55.420 12.027 ( -4.205 -0.401 0.000) 4.224 12.286 ( -14.564 -6.121 0.000) 15.798 12.329 ( 16.709 0.140 0.000) 16.710 12.724 ( 8.781 -0.100 0.000) 8.781 12.870 ( 12.069 -0.264 0.000) 12.072 13.984 ( 6.403 0.777 0.000) 6.450 14.158 ( -16.646 0.008 0.000) 16.646 14.436 ( -10.338 8.023 0.000) 13.086 14.616 ( -11.793 0.895 0.000) 11.827 15.409 ( 20.996 17.064 0.000) 27.056 15.724 ( -20.154 6.046 0.000) 21.041 15.950 ( -23.211 -1.130 0.000) 23.238 15.992 ( 0.778 5.673 0.000) 5.727 16.547 ( -14.885 -8.792 0.000) 17.288 16.693 ( -10.004 1.678 0.000) 10.144 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.181 ( 12.473 -7.357 0.000) 14.481 1.222 ( 13.101 -0.931 0.000) 13.135 1.675 ( -6.659 3.561 0.000) 7.551 1.684 ( -8.442 0.133 0.000) 8.443 1.780 ( 8.621 -7.227 0.000) 11.250 2.118 ( 6.766 0.734 0.000) 6.806 2.221 ( -2.758 7.139 0.000) 7.653 2.287 ( -0.063 -2.324 0.000) 2.325 2.425 ( -4.007 -0.052 0.000) 4.008 2.432 ( 3.755 -0.991 0.000) 3.884 2.550 ( 4.662 1.189 0.000) 4.811 2.633 ( 0.217 -1.300 0.000) 1.318 2.760 ( -3.160 3.322 0.000) 4.585 2.934 ( -10.313 -0.738 0.000) 10.339 3.029 ( 6.875 -0.345 0.000) 6.883 3.167 ( 1.459 -0.966 0.000) 1.750 3.259 ( -2.642 0.388 0.000) 2.670 3.415 ( 0.574 0.231 0.000) 0.618 3.452 ( 1.430 -0.269 0.000) 1.456 3.472 ( -6.050 2.687 0.000) 6.620 3.528 ( 1.847 -0.925 0.000) 2.065 3.748 ( -2.461 2.481 0.000) 3.494 3.830 ( -0.813 0.704 0.000) 1.076 3.883 ( -3.299 1.467 0.000) 3.610 3.914 ( -0.541 -4.662 0.000) 4.694 4.107 ( -0.329 3.061 0.000) 3.079 4.383 ( 3.843 0.638 0.000) 3.896 4.604 ( -1.802 -0.519 0.000) 1.875 4.768 ( 3.850 2.036 0.000) 4.355 4.929 ( 1.840 -4.019 0.000) 4.420 8.224 ( 10.301 1.036 0.000) 10.353 8.254 ( 1.526 0.079 0.000) 1.528 8.373 ( -1.492 -0.203 0.000) 1.506 8.526 ( -4.885 -0.954 0.000) 4.977 8.841 ( 16.102 -0.114 0.000) 16.103 9.359 ( -8.329 -1.359 0.000) 8.439 10.034 ( 23.124 -0.009 0.000) 23.124 10.191 ( 19.986 1.297 0.000) 20.028 10.957 ( 6.154 -0.189 0.000) 6.157 11.169 ( 7.791 0.608 0.000) 7.815 11.243 ( 4.211 -1.160 0.000) 4.368 11.514 ( -13.123 -2.363 0.000) 13.334 11.683 ( 8.154 -0.003 0.000) 8.154 11.804 ( 7.033 0.238 0.000) 7.037 11.934 ( -5.692 -0.291 0.000) 5.700 12.075 ( -11.520 -3.879 0.000) 12.156 12.682 ( 21.386 0.055 0.000) 21.387 12.895 ( 39.348 0.392 0.000) 39.350 12.931 ( 12.693 -0.547 0.000) 12.705 13.092 ( 9.907 -0.116 0.000) 9.908 13.861 ( -11.501 0.028 0.000) 11.501 14.079 ( 2.582 0.307 0.000) 2.601 14.184 ( -9.755 3.650 0.000) 10.416 14.349 ( -15.396 0.328 0.000) 15.400 15.314 ( -17.800 4.042 0.000) 18.253 15.525 ( -22.388 -1.125 0.000) 22.417 15.669 ( 19.160 10.872 0.000) 22.029 16.004 ( 2.916 1.565 0.000) 3.310 16.344 ( -11.744 -2.699 0.000) 12.050 16.487 ( -10.747 -0.191 0.000) 10.749 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.428 ( -0.000 0.000 0.000) 0.000 1.448 ( -0.000 0.000 0.000) 0.000 1.471 ( 0.000 -0.000 0.000) 0.000 1.508 ( 0.000 -0.000 0.000) 0.000 1.992 ( 0.000 -0.000 0.000) 0.000 2.073 ( -0.000 -0.000 0.000) 0.000 2.229 ( 0.000 -0.000 0.000) 0.000 2.296 ( 0.000 -0.000 0.000) 0.000 2.310 ( -0.000 0.000 0.000) 0.000 2.476 ( 0.000 -0.000 0.000) 0.000 2.614 ( 0.000 -0.000 0.000) 0.000 2.637 ( 0.000 -0.000 0.000) 0.000 2.761 ( -0.000 -0.000 0.000) 0.000 2.792 ( 0.000 -0.000 0.000) 0.000 3.161 ( -0.000 0.000 0.000) 0.000 3.170 ( 0.000 -0.000 0.000) 0.000 3.234 ( 0.000 -0.000 0.000) 0.000 3.356 ( 0.000 -0.000 0.000) 0.000 3.423 ( 0.000 -0.000 0.000) 0.000 3.468 ( 0.000 -0.000 0.000) 0.000 3.551 ( 0.000 -0.000 0.000) 0.000 3.714 ( 0.000 -0.000 0.000) 0.000 3.818 ( 0.000 -0.000 0.000) 0.000 3.847 ( 0.000 -0.000 0.000) 0.000 3.931 ( 0.000 -0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 -0.000 0.000) 0.000 4.587 ( 0.000 -0.000 0.000) 0.000 4.796 ( 0.000 -0.000 0.000) 0.000 4.964 ( 0.000 -0.000 0.000) 0.000 8.271 ( 0.000 -0.000 0.000) 0.000 8.352 ( 0.000 -0.000 0.000) 0.000 8.357 ( 0.000 -0.000 0.000) 0.000 8.436 ( -0.000 -0.000 0.000) 0.000 9.132 ( -0.000 -0.000 0.000) 0.000 9.154 ( 0.000 -0.000 0.000) 0.000 10.292 ( 0.000 -0.000 0.000) 0.000 10.340 ( 0.000 -0.000 0.000) 0.000 11.137 ( 0.000 -0.000 0.000) 0.000 11.246 ( 0.000 -0.000 0.000) 0.000 11.269 ( -0.000 -0.000 0.000) 0.000 11.285 ( 0.000 -0.000 0.000) 0.000 11.816 ( -0.000 -0.000 0.000) 0.000 11.828 ( 0.000 -0.000 0.000) 0.000 11.897 ( 0.000 -0.000 0.000) 0.000 11.958 ( -0.000 -0.000 0.000) 0.000 13.047 ( 0.000 -0.000 0.000) 0.000 13.080 ( -0.000 -0.000 0.000) 0.000 13.124 ( -0.000 -0.000 0.000) 0.000 13.151 ( 0.000 -0.000 0.000) 0.000 13.955 ( -0.000 -0.000 0.000) 0.000 13.981 ( 0.000 0.000 0.000) 0.000 14.113 ( -0.000 -0.000 0.000) 0.000 14.129 ( 0.000 0.000 0.000) 0.000 15.104 ( 0.000 0.000 0.000) 0.000 15.284 ( 0.000 -0.000 0.000) 0.000 15.857 ( 0.000 0.000 0.000) 0.000 16.011 ( 0.000 -0.000 0.000) 0.000 16.230 ( 0.000 -0.000 0.000) 0.000 16.364 ( 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.489 ( 14.292 0.000 0.000) 14.292 0.628 ( 16.555 0.000 0.000) 16.555 1.289 ( 7.218 0.000 0.000) 7.218 1.515 ( 32.813 0.000 0.000) 32.813 1.687 ( 5.038 0.000 0.000) 5.038 1.753 ( 10.069 0.000 0.000) 10.069 2.054 ( 10.386 0.000 0.000) 10.386 2.283 ( 1.198 0.000 0.000) 1.198 2.312 ( 1.759 0.000 0.000) 1.759 2.339 ( -4.489 -0.000 0.000) 4.489 2.509 ( -4.443 -0.000 0.000) 4.443 2.962 ( -1.518 -0.000 0.000) 1.518 2.966 ( -9.132 -0.000 0.000) 9.132 3.032 ( -0.876 -0.000 0.000) 0.876 3.116 ( -0.180 -0.000 0.000) 0.180 3.197 ( -3.303 -0.000 0.000) 3.303 3.335 ( 3.642 0.000 0.000) 3.642 3.340 ( 6.280 0.000 0.000) 6.280 3.364 ( -2.848 -0.000 0.000) 2.848 3.576 ( -9.497 -0.000 0.000) 9.497 3.639 ( -2.350 -0.000 0.000) 2.350 3.834 ( -0.470 -0.000 0.000) 0.470 3.877 ( 0.747 0.000 0.000) 0.747 3.945 ( -2.796 -0.000 0.000) 2.796 4.139 ( 1.326 0.000 0.000) 1.326 4.150 ( -7.942 -0.000 0.000) 7.942 4.369 ( -1.068 -0.000 0.000) 1.068 4.631 ( 3.976 0.000 0.000) 3.976 4.647 ( -1.921 -0.000 0.000) 1.921 4.660 ( 7.155 0.000 0.000) 7.155 7.699 ( 15.840 0.000 0.000) 15.840 8.237 ( -1.726 -0.000 0.000) 1.726 8.258 ( 19.655 0.000 0.000) 19.655 8.425 ( -0.574 -0.000 0.000) 0.574 8.539 ( -0.017 -0.000 0.000) 0.017 8.904 ( 30.655 0.000 0.000) 30.655 9.220 ( 27.503 0.000 0.000) 27.503 9.501 ( -5.721 -0.000 0.000) 5.721 10.539 ( 38.768 0.000 0.000) 38.768 10.899 ( -1.809 -0.000 0.000) 1.809 11.097 ( 29.459 0.000 0.000) 29.459 11.110 ( -2.798 -0.000 0.000) 2.798 11.409 ( 5.602 0.000 0.000) 5.602 11.464 ( 10.248 0.000 0.000) 10.248 11.656 ( 0.455 0.000 0.000) 0.455 11.981 ( 12.499 0.000 0.000) 12.499 12.155 ( -0.964 -0.000 0.000) 0.964 12.427 ( -8.982 -0.000 0.000) 8.982 12.619 ( 1.781 0.000 0.000) 1.781 12.673 ( 8.547 0.000 0.000) 8.547 13.883 ( 5.252 0.000 0.000) 5.252 14.428 ( -12.116 -0.000 0.000) 12.116 14.755 ( -1.914 -0.000 0.000) 1.914 14.785 ( -12.097 -0.000 0.000) 12.097 15.628 ( -3.239 -0.000 0.000) 3.239 16.088 ( 6.403 0.000 0.000) 6.403 16.103 ( -13.125 -0.000 0.000) 13.125 16.382 ( -21.423 -0.000 0.000) 21.423 16.503 ( -8.511 -0.000 0.000) 8.511 16.876 ( -6.740 -0.000 0.000) 6.740 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.776 ( 14.808 -3.546 0.000) 15.226 0.929 ( 15.485 -0.981 0.000) 15.516 1.454 ( 9.315 -2.450 0.000) 9.632 1.749 ( 3.079 0.604 0.000) 3.138 1.838 ( -2.045 0.447 0.000) 2.094 1.999 ( 15.804 0.792 0.000) 15.823 2.184 ( 3.622 -1.451 0.000) 3.902 2.302 ( 1.854 0.998 0.000) 2.106 2.351 ( 2.151 -0.502 0.000) 2.208 2.353 ( 5.652 -0.109 0.000) 5.653 2.463 ( 1.459 -0.639 0.000) 1.593 2.770 ( -10.453 1.300 0.000) 10.533 2.959 ( 1.387 -0.195 0.000) 1.401 2.962 ( -5.558 2.776 0.000) 6.213 3.095 ( -8.571 -1.092 0.000) 8.641 3.124 ( 0.659 -0.708 0.000) 0.967 3.316 ( -2.353 0.310 0.000) 2.373 3.399 ( 3.068 -0.004 0.000) 3.068 3.442 ( 4.514 -0.394 0.000) 4.531 3.450 ( -3.599 0.204 0.000) 3.605 3.594 ( -2.475 0.465 0.000) 2.518 3.824 ( -1.459 -1.980 0.000) 2.460 3.857 ( -2.912 0.683 0.000) 2.991 3.889 ( -2.721 0.883 0.000) 2.861 4.006 ( -6.811 0.615 0.000) 6.839 4.158 ( 1.145 1.098 0.000) 1.586 4.370 ( 1.826 1.447 0.000) 2.330 4.615 ( -1.928 -0.790 0.000) 2.084 4.725 ( 6.139 1.272 0.000) 6.269 4.769 ( 3.967 -2.518 0.000) 4.699 8.001 ( 15.742 0.177 0.000) 15.743 8.230 ( 0.749 -0.042 0.000) 0.750 8.401 ( -1.767 -0.026 0.000) 1.767 8.514 ( 6.307 -0.205 0.000) 6.311 8.605 ( 7.951 -0.067 0.000) 7.952 9.425 ( -3.160 -0.481 0.000) 3.197 9.504 ( 32.458 -0.079 0.000) 32.458 9.750 ( 29.441 1.036 0.000) 29.459 10.886 ( 0.539 -0.513 0.000) 0.744 10.983 ( 14.473 0.264 0.000) 14.475 11.123 ( 3.828 -0.790 0.000) 3.908 11.533 ( 7.791 -0.015 0.000) 7.791 11.629 ( -1.059 0.637 0.000) 1.235 11.655 ( 6.697 -0.986 0.000) 6.769 11.959 ( 55.939 0.017 0.000) 55.939 12.023 ( -4.295 -0.157 0.000) 4.298 12.213 ( -13.384 -2.365 0.000) 13.591 12.331 ( 16.743 0.056 0.000) 16.743 12.723 ( 8.627 -0.035 0.000) 8.627 12.867 ( 12.108 -0.119 0.000) 12.108 13.993 ( 6.389 0.301 0.000) 6.396 14.158 ( -16.813 -0.008 0.000) 16.813 14.518 ( -15.089 2.227 0.000) 15.253 14.630 ( -11.592 0.578 0.000) 11.607 15.615 ( 7.484 6.217 0.000) 9.729 15.788 ( -20.362 1.669 0.000) 20.430 15.945 ( -24.613 0.208 0.000) 24.614 16.143 ( 4.112 11.688 0.000) 12.390 16.377 ( -10.706 -11.112 0.000) 15.431 16.718 ( -9.910 0.892 0.000) 9.950 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.082 ( 14.676 -4.257 0.000) 15.280 1.209 ( 14.060 -0.624 0.000) 14.074 1.659 ( 7.174 -3.282 0.000) 7.889 1.707 ( -7.776 -1.089 0.000) 7.852 1.726 ( -5.022 2.316 0.000) 5.530 2.138 ( 5.631 1.603 0.000) 5.854 2.246 ( 1.250 -2.448 0.000) 2.749 2.323 ( 0.226 4.863 0.000) 4.868 2.412 ( 3.614 -1.341 0.000) 3.855 2.424 ( -1.431 -0.071 0.000) 1.433 2.560 ( 4.860 0.014 0.000) 4.860 2.613 ( -3.236 -0.824 0.000) 3.339 2.815 ( -5.656 2.918 0.000) 6.364 2.922 ( -10.043 -0.634 0.000) 10.063 3.037 ( 7.416 0.845 0.000) 7.464 3.151 ( 1.601 -0.808 0.000) 1.793 3.269 ( -2.404 0.664 0.000) 2.494 3.419 ( -0.036 0.144 0.000) 0.148 3.448 ( 1.706 -0.223 0.000) 1.720 3.513 ( 2.695 -0.590 0.000) 2.759 3.523 ( -4.432 3.228 0.000) 5.483 3.746 ( -7.202 -2.939 0.000) 7.778 3.839 ( -1.887 0.404 0.000) 1.929 3.847 ( 0.496 -2.251 0.000) 2.305 3.900 ( -4.189 0.528 0.000) 4.222 4.157 ( 0.187 2.447 0.000) 2.454 4.408 ( 3.412 1.878 0.000) 3.895 4.590 ( -1.581 -0.967 0.000) 1.853 4.787 ( 1.148 0.155 0.000) 1.159 4.880 ( 5.797 -1.631 0.000) 6.022 8.240 ( 10.640 0.806 0.000) 10.670 8.257 ( 1.950 0.230 0.000) 1.964 8.367 ( -1.964 -0.426 0.000) 2.010 8.511 ( -5.174 -0.716 0.000) 5.224 8.840 ( 16.544 -0.065 0.000) 16.544 9.340 ( -8.048 -0.849 0.000) 8.093 10.034 ( 23.543 0.009 0.000) 23.543 10.212 ( 18.416 1.012 0.000) 18.444 10.957 ( 8.676 0.114 0.000) 8.677 11.179 ( 7.870 0.632 0.000) 7.895 11.226 ( 4.826 -0.929 0.000) 4.914 11.477 ( -14.550 -1.865 0.000) 14.669 11.684 ( 8.231 0.015 0.000) 8.231 11.808 ( 7.665 0.228 0.000) 7.669 11.930 ( -5.542 -0.177 0.000) 5.545 12.022 ( -8.686 -2.252 0.000) 8.973 12.683 ( 21.309 0.048 0.000) 21.309 12.900 ( 39.340 0.252 0.000) 39.340 12.924 ( 12.335 -0.363 0.000) 12.340 13.089 ( 10.154 -0.156 0.000) 10.155 13.861 ( -11.226 0.029 0.000) 11.226 14.083 ( 1.836 0.172 0.000) 1.844 14.233 ( -12.092 2.097 0.000) 12.273 14.357 ( -15.986 0.526 0.000) 15.995 15.367 ( -21.213 2.152 0.000) 21.322 15.512 ( -21.137 -0.375 0.000) 21.140 15.776 ( 12.759 2.745 0.000) 13.051 16.032 ( -10.335 0.462 0.000) 10.345 16.324 ( 0.459 1.409 0.000) 1.482 16.509 ( -10.803 1.627 0.000) 10.924 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.376 ( 13.116 -4.074 0.000) 13.734 1.433 ( 2.463 0.607 0.000) 2.537 1.500 ( -2.623 -0.932 0.000) 2.784 1.550 ( -9.607 4.869 0.000) 10.770 1.896 ( 9.299 -6.178 0.000) 11.165 2.185 ( -8.810 8.069 0.000) 11.947 2.240 ( 1.234 1.170 0.000) 1.701 2.276 ( 3.004 -1.467 0.000) 3.343 2.321 ( -3.736 0.441 0.000) 3.762 2.466 ( 0.520 -1.262 0.000) 1.365 2.611 ( -0.887 -0.340 0.000) 0.950 2.622 ( 1.415 -1.440 0.000) 2.019 2.756 ( -5.964 -0.460 0.000) 5.981 2.799 ( 4.064 0.629 0.000) 4.112 3.176 ( -0.058 0.811 0.000) 0.813 3.178 ( 5.354 1.397 0.000) 5.534 3.239 ( 1.328 0.485 0.000) 1.413 3.371 ( -6.660 2.223 0.000) 7.022 3.422 ( -0.018 -0.109 0.000) 0.111 3.467 ( 0.205 -0.025 0.000) 0.206 3.548 ( 0.714 -0.246 0.000) 0.755 3.677 ( -3.414 -4.333 0.000) 5.516 3.815 ( -0.537 -0.279 0.000) 0.605 3.844 ( -1.699 -0.277 0.000) 1.722 3.888 ( 1.292 -3.495 0.000) 3.726 4.127 ( -0.613 3.236 0.000) 3.293 4.441 ( 1.128 2.132 0.000) 2.412 4.577 ( -0.375 -1.117 0.000) 1.178 4.779 ( -2.532 -1.656 0.000) 3.026 4.978 ( 4.217 1.370 0.000) 4.434 8.278 ( 0.196 0.831 0.000) 0.854 8.348 ( -0.176 -1.039 0.000) 1.053 8.357 ( -3.730 0.506 0.000) 3.765 8.432 ( 3.610 -0.483 0.000) 3.643 9.129 ( -11.263 -0.281 0.000) 11.267 9.158 ( 12.847 0.320 0.000) 12.851 10.297 ( -1.234 0.575 0.000) 1.361 10.336 ( 0.616 -0.436 0.000) 0.755 11.137 ( -10.073 -0.016 0.000) 10.073 11.246 ( -1.128 0.027 0.000) 1.128 11.271 ( 12.731 0.161 0.000) 12.732 11.285 ( 1.485 0.032 0.000) 1.485 11.817 ( -2.021 0.132 0.000) 2.025 11.828 ( 2.326 -0.080 0.000) 2.327 11.897 ( -2.967 0.014 0.000) 2.967 11.960 ( 5.872 0.205 0.000) 5.875 13.050 ( 0.324 0.368 0.000) 0.490 13.077 ( -0.596 -0.366 0.000) 0.700 13.121 ( 4.408 -0.284 0.000) 4.417 13.150 ( -3.644 -0.029 0.000) 3.644 13.954 ( -10.365 -0.050 0.000) 10.366 13.982 ( 10.053 0.107 0.000) 10.053 14.106 ( -7.887 -0.447 0.000) 7.900 14.141 ( 4.765 1.018 0.000) 4.873 15.101 ( -3.402 -0.343 0.000) 3.419 15.286 ( 0.647 0.267 0.000) 0.700 15.761 ( -19.363 -8.143 0.000) 21.006 16.028 ( 11.746 0.637 0.000) 11.763 16.239 ( -8.200 0.907 0.000) 8.249 16.430 ( 7.026 6.334 0.000) 9.460 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.237 ( -12.043 0.859 0.000) 12.073 1.314 ( -9.594 8.092 0.000) 12.551 1.616 ( 8.359 -3.347 0.000) 9.004 1.672 ( 8.881 -1.215 0.000) 8.964 1.915 ( -10.599 8.360 0.000) 13.500 2.103 ( 5.581 -6.523 0.000) 8.585 2.114 ( -7.971 0.306 0.000) 7.977 2.316 ( 1.047 0.946 0.000) 1.411 2.423 ( 7.876 -0.505 0.000) 7.892 2.443 ( -3.358 0.196 0.000) 3.364 2.530 ( -7.429 -0.657 0.000) 7.458 2.646 ( -0.618 0.116 0.000) 0.628 2.711 ( 1.052 -2.582 0.000) 2.788 2.945 ( 10.508 0.634 0.000) 10.527 3.058 ( -7.024 3.154 0.000) 7.700 3.182 ( -2.587 0.912 0.000) 2.743 3.258 ( 3.435 0.382 0.000) 3.456 3.412 ( -1.041 -0.154 0.000) 1.052 3.431 ( 7.091 -2.355 0.000) 7.472 3.456 ( -1.217 0.208 0.000) 1.235 3.541 ( -1.296 0.629 0.000) 1.440 3.679 ( -0.989 -5.415 0.000) 5.505 3.816 ( -0.349 -0.885 0.000) 0.952 3.853 ( 2.117 -1.962 0.000) 2.887 3.947 ( 2.359 -1.702 0.000) 2.909 4.089 ( -0.917 1.722 0.000) 1.951 4.397 ( -3.616 2.285 0.000) 4.277 4.603 ( 2.240 -0.602 0.000) 2.319 4.728 ( -4.596 -2.462 0.000) 5.214 4.999 ( 0.296 3.995 0.000) 4.006 8.208 ( -10.116 -0.774 0.000) 10.145 8.255 ( -1.520 0.299 0.000) 1.549 8.371 ( 1.458 -0.413 0.000) 1.516 8.540 ( 4.821 0.761 0.000) 4.881 8.843 ( -15.599 0.123 0.000) 15.599 9.382 ( 8.635 1.340 0.000) 8.738 10.034 ( -22.765 0.040 0.000) 22.765 10.172 ( -21.346 -0.935 0.000) 21.366 10.963 ( -3.568 0.520 0.000) 3.606 11.160 ( -7.870 -0.458 0.000) 7.884 11.263 ( -3.249 1.103 0.000) 3.431 11.550 ( 11.588 1.895 0.000) 11.741 11.684 ( -8.084 0.037 0.000) 8.084 11.800 ( -6.620 -0.215 0.000) 6.623 11.939 ( 5.866 0.297 0.000) 5.873 12.145 ( 15.329 4.270 0.000) 15.913 12.682 ( -21.492 -0.028 0.000) 21.492 12.888 ( -39.326 -0.371 0.000) 39.328 12.940 ( -13.078 0.499 0.000) 13.088 13.092 ( -9.535 -0.108 0.000) 9.535 13.860 ( 11.829 -0.002 0.000) 11.829 14.073 ( -3.543 -0.344 0.000) 3.560 14.117 ( 5.668 -4.100 0.000) 6.995 14.350 ( 15.101 0.502 0.000) 15.109 15.242 ( 13.856 -4.296 0.000) 14.506 15.443 ( -24.710 -14.621 0.000) 28.712 15.546 ( 23.691 1.324 0.000) 23.728 16.002 ( -7.011 1.077 0.000) 7.093 16.347 ( 13.405 -2.195 0.000) 13.583 16.552 ( 11.291 6.596 0.000) 13.076 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.005 ( -11.715 2.850 0.000) 12.057 1.068 ( -7.886 11.929 0.000) 14.300 1.657 ( -8.812 8.279 0.000) 12.091 1.705 ( -1.042 -1.552 0.000) 1.869 1.788 ( 0.289 -2.631 0.000) 2.647 1.955 ( -12.603 -1.312 0.000) 12.671 2.222 ( 3.547 -3.013 0.000) 4.654 2.291 ( -6.829 3.887 0.000) 7.857 2.346 ( -4.926 -0.618 0.000) 4.964 2.380 ( -2.114 0.665 0.000) 2.216 2.516 ( -0.760 1.764 0.000) 1.921 2.671 ( 5.448 -3.505 0.000) 6.478 2.810 ( 4.942 -4.508 0.000) 6.689 2.983 ( 0.973 1.517 0.000) 1.802 3.142 ( 10.731 1.425 0.000) 10.825 3.150 ( -0.716 0.045 0.000) 0.718 3.310 ( 2.489 0.326 0.000) 2.510 3.396 ( -1.460 -0.468 0.000) 1.534 3.435 ( 0.496 -0.280 0.000) 0.570 3.477 ( -3.574 1.478 0.000) 3.867 3.574 ( 5.432 -0.702 0.000) 5.477 3.728 ( 0.660 -6.551 0.000) 6.584 3.826 ( 0.209 -2.379 0.000) 2.388 3.940 ( 4.641 -2.996 0.000) 5.524 3.960 ( -0.822 4.019 0.000) 4.102 4.103 ( 2.220 -3.199 0.000) 3.894 4.299 ( -4.447 0.559 0.000) 4.482 4.659 ( -4.935 -2.413 0.000) 5.494 4.660 ( 4.077 1.140 0.000) 4.233 4.922 ( -4.400 5.305 0.000) 6.892 7.990 ( -14.479 -0.364 0.000) 14.484 8.232 ( -0.606 0.061 0.000) 0.609 8.400 ( 1.397 -0.131 0.000) 1.404 8.530 ( -6.915 0.684 0.000) 6.949 8.610 ( -8.534 0.176 0.000) 8.536 9.463 ( 3.045 1.456 0.000) 3.375 9.510 ( -32.496 0.238 0.000) 32.497 9.684 ( -30.198 -1.994 0.000) 30.264 10.931 ( -0.545 1.905 0.000) 1.981 10.965 ( -14.502 -0.622 0.000) 14.516 11.185 ( -2.208 2.490 0.000) 3.328 11.534 ( -7.809 0.039 0.000) 7.809 11.621 ( -5.092 0.352 0.000) 5.104 11.685 ( -2.272 0.402 0.000) 2.307 11.958 ( -54.793 -0.005 0.000) 54.793 12.035 ( 4.253 0.478 0.000) 4.280 12.327 ( -16.661 -0.156 0.000) 16.662 12.404 ( 15.979 7.702 0.000) 17.738 12.727 ( -8.907 0.163 0.000) 8.908 12.874 ( -11.949 0.167 0.000) 11.950 13.969 ( -6.477 -0.944 0.000) 6.545 14.157 ( 16.408 -0.067 0.000) 16.408 14.248 ( -3.368 -14.146 0.000) 14.541 14.606 ( 11.863 -0.174 0.000) 11.865 15.126 ( -22.025 -15.164 0.000) 26.740 15.600 ( 17.788 -8.339 0.000) 19.645 15.937 ( 0.567 -1.631 0.000) 1.727 15.980 ( 23.017 2.254 0.000) 23.127 16.611 ( 12.790 -1.866 0.000) 12.925 16.726 ( 13.623 6.607 0.000) 15.141 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.755 ( -11.477 6.118 0.000) 13.006 0.827 ( -5.957 15.674 0.000) 16.768 1.450 ( -6.010 8.210 0.000) 10.175 1.558 ( -29.632 1.647 0.000) 29.678 1.655 ( -3.752 -0.587 0.000) 3.797 1.723 ( -8.553 -1.575 0.000) 8.697 2.074 ( -12.913 0.320 0.000) 12.917 2.300 ( 2.157 -0.715 0.000) 2.272 2.320 ( 0.152 1.438 0.000) 1.446 2.364 ( 1.847 0.963 0.000) 2.083 2.521 ( 3.060 1.116 0.000) 3.257 2.816 ( 5.018 -4.635 0.000) 6.831 2.919 ( 2.307 -4.182 0.000) 4.776 3.022 ( 2.890 -0.021 0.000) 2.890 3.145 ( 0.060 0.661 0.000) 0.663 3.265 ( 4.005 2.153 0.000) 4.547 3.346 ( -0.073 -0.939 0.000) 0.942 3.348 ( -2.995 0.706 0.000) 3.077 3.380 ( -3.661 1.937 0.000) 4.142 3.543 ( 9.428 -1.692 0.000) 9.579 3.656 ( 3.513 0.865 0.000) 3.618 3.786 ( 0.265 -3.237 0.000) 3.248 3.873 ( 2.200 -3.726 0.000) 4.327 3.884 ( -3.475 1.433 0.000) 3.759 4.064 ( 5.439 -4.193 0.000) 6.868 4.165 ( 2.829 2.250 0.000) 3.615 4.293 ( 2.860 -5.610 0.000) 6.296 4.596 ( -3.709 -1.835 0.000) 4.138 4.734 ( 6.712 4.578 0.000) 8.125 4.759 ( -8.313 4.703 0.000) 9.551 7.703 ( -15.440 0.249 0.000) 15.442 8.240 ( 1.764 0.107 0.000) 1.768 8.262 ( -20.039 0.250 0.000) 20.041 8.422 ( 0.450 -0.189 0.000) 0.489 8.533 ( -0.339 -0.276 0.000) 0.437 8.906 ( -30.725 0.132 0.000) 30.725 9.156 ( -28.277 -2.679 0.000) 28.403 9.530 ( 5.875 1.447 0.000) 6.051 10.526 ( -38.281 -0.658 0.000) 38.286 10.878 ( -5.463 -0.809 0.000) 5.522 11.099 ( -26.692 0.426 0.000) 26.696 11.174 ( -0.160 2.910 0.000) 2.915 11.411 ( -5.623 0.124 0.000) 5.625 11.452 ( -10.082 0.242 0.000) 10.085 11.666 ( -1.142 0.275 0.000) 1.175 11.991 ( -11.654 0.556 0.000) 11.667 12.163 ( 1.425 0.402 0.000) 1.481 12.508 ( -0.381 3.211 0.000) 3.234 12.617 ( -5.614 0.035 0.000) 5.614 12.715 ( -2.107 2.785 0.000) 3.492 13.870 ( -4.797 -0.677 0.000) 4.845 14.149 ( -29.878 -35.763 0.000) 46.602 14.422 ( 11.832 -0.341 0.000) 11.837 14.769 ( 3.892 -0.756 0.000) 3.965 14.936 ( -6.224 -5.473 0.000) 8.288 15.985 ( 14.696 -9.274 0.000) 17.377 16.040 ( 7.655 -2.128 0.000) 7.945 16.334 ( 17.061 0.703 0.000) 17.075 16.824 ( 7.966 -2.446 0.000) 8.333 16.956 ( 19.098 9.819 0.000) 21.474 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.485 ( -9.965 10.412 0.000) 14.412 0.576 ( -7.655 16.733 0.000) 18.401 0.913 ( -33.426 8.422 0.000) 34.471 1.302 ( -2.528 8.421 0.000) 8.792 1.547 ( -9.596 0.101 0.000) 9.596 1.610 ( -1.085 -0.065 0.000) 1.087 1.829 ( -12.706 -1.625 0.000) 12.810 2.300 ( -0.685 0.713 0.000) 0.988 2.324 ( 1.790 1.828 0.000) 2.559 2.423 ( 3.334 0.335 0.000) 3.351 2.563 ( 0.920 -0.021 0.000) 0.920 2.913 ( 1.774 -3.510 0.000) 3.933 2.965 ( -0.123 -3.279 0.000) 3.281 3.041 ( -4.992 -5.116 0.000) 7.148 3.145 ( 2.009 1.664 0.000) 2.609 3.249 ( -4.516 2.445 0.000) 5.135 3.283 ( 0.396 2.342 0.000) 2.375 3.288 ( -1.933 1.500 0.000) 2.447 3.404 ( 1.763 -1.656 0.000) 2.419 3.692 ( 1.640 0.862 0.000) 1.853 3.736 ( 8.255 -2.006 0.000) 8.495 3.793 ( -0.137 -0.221 0.000) 0.260 3.833 ( -1.982 0.371 0.000) 2.016 3.964 ( 4.565 -2.301 0.000) 5.112 4.194 ( 2.930 3.082 0.000) 4.253 4.197 ( 4.128 -5.357 0.000) 6.763 4.461 ( 8.554 -6.710 0.000) 10.872 4.525 ( -7.531 0.472 0.000) 7.546 4.591 ( -3.444 1.006 0.000) 3.588 4.859 ( 17.087 12.899 0.000) 21.409 7.462 ( -9.597 0.289 0.000) 9.601 7.901 ( -16.231 -0.004 0.000) 16.231 8.300 ( 3.856 0.029 0.000) 3.856 8.346 ( -11.229 0.229 0.000) 11.232 8.521 ( -5.916 -0.137 0.000) 5.918 8.578 ( 4.220 -0.394 0.000) 4.238 8.718 ( -21.410 -3.126 0.000) 21.637 9.629 ( 4.947 1.360 0.000) 5.131 9.769 ( -35.647 -0.053 0.000) 35.648 10.670 ( -29.165 -14.786 0.000) 32.699 10.791 ( -9.267 0.186 0.000) 9.269 11.222 ( 4.807 1.398 0.000) 5.006 11.290 ( -5.516 1.986 0.000) 5.862 11.332 ( -2.904 0.082 0.000) 2.905 11.642 ( -1.140 0.012 0.000) 1.140 11.759 ( -10.784 2.134 0.000) 10.993 12.204 ( 2.103 0.472 0.000) 2.156 12.390 ( -18.823 -8.046 0.000) 20.471 12.502 ( -4.463 -0.718 0.000) 4.520 12.637 ( -7.197 -0.935 0.000) 7.258 13.793 ( -39.202 -35.648 0.000) 52.987 13.806 ( -2.548 -0.201 0.000) 2.556 14.591 ( 6.045 -0.441 0.000) 6.061 14.750 ( -2.933 -0.374 0.000) 2.957 14.977 ( 3.741 -0.747 0.000) 3.814 16.200 ( 6.644 -2.032 0.000) 6.948 16.248 ( 7.097 -4.634 0.000) 8.476 16.607 ( 10.531 -4.595 0.000) 11.490 16.947 ( 3.667 -1.614 0.000) 4.006 17.264 ( 23.991 11.622 0.000) 26.658 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.196 ( -0.000 11.604 0.000) 11.604 0.259 ( -0.000 15.153 0.000) 15.153 0.434 ( -0.000 25.632 0.000) 25.632 1.213 ( -0.000 7.435 0.000) 7.435 1.442 ( -0.000 0.157 0.000) 0.157 1.606 ( -0.000 0.760 0.000) 0.760 1.711 ( 0.000 -2.411 0.000) 2.411 2.285 ( -0.000 0.886 0.000) 0.886 2.353 ( -0.000 0.353 0.000) 0.353 2.454 ( -0.000 0.183 0.000) 0.183 2.536 ( -0.000 1.063 0.000) 1.063 2.933 ( 0.000 -1.708 0.000) 1.708 2.982 ( 0.000 -2.756 0.000) 2.756 2.987 ( 0.000 -2.832 0.000) 2.832 3.168 ( -0.000 0.240 0.000) 0.240 3.186 ( -0.000 2.153 0.000) 2.153 3.254 ( -0.000 0.948 0.000) 0.948 3.266 ( -0.000 2.923 0.000) 2.923 3.434 ( 0.000 -1.236 0.000) 1.236 3.715 ( 0.000 -0.551 0.000) 0.551 3.776 ( -0.000 2.637 0.000) 2.637 3.805 ( -0.000 0.190 0.000) 0.190 3.838 ( 0.000 -2.431 0.000) 2.431 4.033 ( -0.000 0.073 0.000) 0.073 4.207 ( -0.000 1.657 0.000) 1.657 4.281 ( 0.000 -4.897 0.000) 4.897 4.416 ( -0.000 0.737 0.000) 0.737 4.572 ( 0.000 -0.255 0.000) 0.255 4.623 ( 0.000 -7.572 0.000) 7.572 5.223 ( -0.000 2.957 0.000) 2.957 7.369 ( -0.000 0.172 0.000) 0.172 7.742 ( 0.000 -0.044 0.000) 0.044 8.187 ( -0.000 0.072 0.000) 0.072 8.409 ( 0.000 -0.247 0.000) 0.247 8.422 ( -0.000 0.179 0.000) 0.179 8.527 ( 0.000 -0.548 0.000) 0.548 8.641 ( 0.000 -0.304 0.000) 0.304 9.399 ( 0.000 -0.011 0.000) 0.011 9.672 ( -0.000 1.187 0.000) 1.187 9.934 ( -0.000 0.043 0.000) 0.043 10.706 ( -0.000 0.103 0.000) 0.103 11.228 ( -0.000 2.608 0.000) 2.608 11.285 ( 0.000 -0.257 0.000) 0.257 11.302 ( 0.000 -0.155 0.000) 0.155 11.614 ( -0.000 3.191 0.000) 3.191 11.630 ( 0.000 -0.082 0.000) 0.082 11.997 ( 0.000 -0.038 0.000) 0.038 12.221 ( -0.000 0.355 0.000) 0.355 12.470 ( -0.000 0.041 0.000) 0.041 12.563 ( -0.000 0.062 0.000) 0.062 13.472 ( 0.000 -0.887 0.000) 0.887 13.783 ( 0.000 -0.021 0.000) 0.021 14.650 ( 0.000 -0.336 0.000) 0.336 14.722 ( 0.000 -0.078 0.000) 0.078 15.020 ( 0.000 -0.412 0.000) 0.412 16.286 ( 0.000 -2.133 0.000) 2.133 16.332 ( 0.000 -1.079 0.000) 1.079 16.759 ( 0.000 -6.222 0.000) 6.222 16.990 ( 0.000 -0.996 0.000) 0.996 17.549 ( -0.000 0.474 0.000) 0.474 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.046 ( 15.492 0.000 0.000) 15.492 1.203 ( 14.441 0.000 0.000) 14.441 1.626 ( 10.275 0.000 0.000) 10.275 1.702 ( -11.099 -0.000 0.000) 11.099 1.746 ( -4.308 -0.000 0.000) 4.308 2.158 ( 5.046 0.000 0.000) 5.046 2.219 ( 1.916 0.000 0.000) 1.916 2.375 ( 2.775 0.000 0.000) 2.775 2.390 ( 2.267 0.000 0.000) 2.267 2.423 ( -0.599 -0.000 0.000) 0.599 2.558 ( 5.694 0.000 0.000) 5.694 2.607 ( -5.339 -0.000 0.000) 5.339 2.843 ( -6.931 -0.000 0.000) 6.931 2.915 ( -9.823 -0.000 0.000) 9.823 3.045 ( 7.701 0.000 0.000) 7.701 3.144 ( 1.838 0.000 0.000) 1.838 3.275 ( -2.432 -0.000 0.000) 2.432 3.420 ( -0.368 -0.000 0.000) 0.368 3.446 ( 1.905 0.000 0.000) 1.905 3.506 ( 2.661 0.000 0.000) 2.661 3.563 ( -1.372 -0.000 0.000) 1.372 3.702 ( -9.947 -0.000 0.000) 9.947 3.833 ( -0.147 -0.000 0.000) 0.147 3.843 ( -2.409 -0.000 0.000) 2.409 3.903 ( -4.436 -0.000 0.000) 4.436 4.178 ( 0.334 0.000 0.000) 0.334 4.427 ( 3.279 0.000 0.000) 3.279 4.580 ( -1.602 -0.000 0.000) 1.602 4.784 ( -0.315 -0.000 0.000) 0.315 4.870 ( 7.781 0.000 0.000) 7.781 8.247 ( 10.844 0.000 0.000) 10.844 8.259 ( 2.268 0.000 0.000) 2.268 8.363 ( -2.306 -0.000 0.000) 2.306 8.505 ( -5.373 -0.000 0.000) 5.373 8.839 ( 16.721 0.000 0.000) 16.721 9.333 ( -7.934 -0.000 0.000) 7.934 10.034 ( 23.730 0.000 0.000) 23.730 10.221 ( 17.684 0.000 0.000) 17.684 10.958 ( 9.802 0.000 0.000) 9.802 11.186 ( 8.135 0.000 0.000) 8.135 11.216 ( 4.821 0.000 0.000) 4.821 11.460 ( -15.125 -0.000 0.000) 15.125 11.684 ( 8.264 0.000 0.000) 8.264 11.810 ( 8.006 0.000 0.000) 8.006 11.928 ( -5.483 -0.000 0.000) 5.483 12.003 ( -7.721 -0.000 0.000) 7.721 12.684 ( 21.282 0.000 0.000) 21.282 12.902 ( 39.330 0.000 0.000) 39.330 12.920 ( 12.185 0.000 0.000) 12.185 13.088 ( 10.233 0.000 0.000) 10.233 13.861 ( -11.117 -0.000 0.000) 11.117 14.084 ( 1.557 0.000 0.000) 1.557 14.250 ( -12.753 -0.000 0.000) 12.753 14.362 ( -16.306 -0.000 0.000) 16.306 15.385 ( -22.507 -0.000 0.000) 22.507 15.510 ( -20.675 -0.000 0.000) 20.675 15.794 ( 10.867 0.000 0.000) 10.867 16.028 ( -17.627 -0.000 0.000) 17.627 16.349 ( 5.923 0.000 0.000) 5.923 16.524 ( -10.360 -0.000 0.000) 10.360 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.329 ( 14.118 -1.504 0.000) 14.198 1.446 ( 8.323 0.825 0.000) 8.364 1.481 ( -8.801 -1.059 0.000) 8.864 1.610 ( -8.388 2.017 0.000) 8.627 1.824 ( 9.890 -2.283 0.000) 10.150 2.255 ( -0.187 -0.327 0.000) 0.377 2.264 ( 6.763 0.666 0.000) 6.796 2.296 ( -9.146 4.493 0.000) 10.190 2.321 ( -6.027 -0.263 0.000) 6.033 2.437 ( 1.133 -1.786 0.000) 2.115 2.600 ( 1.354 -0.762 0.000) 1.554 2.606 ( -0.227 -0.257 0.000) 0.343 2.750 ( -7.513 -0.196 0.000) 7.516 2.808 ( 4.302 0.311 0.000) 4.313 3.191 ( 3.368 0.682 0.000) 3.436 3.194 ( 4.272 0.496 0.000) 4.301 3.242 ( 2.400 -0.139 0.000) 2.404 3.420 ( -0.007 -0.073 0.000) 0.073 3.435 ( -11.367 4.745 0.000) 12.318 3.467 ( 0.329 -0.014 0.000) 0.329 3.545 ( 0.872 -0.123 0.000) 0.881 3.585 ( -3.175 -5.703 0.000) 6.527 3.811 ( -0.922 -0.202 0.000) 0.944 3.840 ( -2.623 -0.153 0.000) 2.628 3.846 ( 1.055 -1.307 0.000) 1.680 4.168 ( -0.770 1.338 0.000) 1.544 4.480 ( 2.739 2.014 0.000) 3.400 4.553 ( -1.577 -1.418 0.000) 2.121 4.755 ( -3.047 -0.860 0.000) 3.166 4.997 ( 5.791 0.684 0.000) 5.831 8.297 ( 0.896 1.383 0.000) 1.648 8.326 ( -0.859 -1.510 0.000) 1.738 8.366 ( -7.790 0.405 0.000) 7.801 8.423 ( 7.594 -0.390 0.000) 7.604 9.125 ( -13.923 -0.133 0.000) 13.924 9.162 ( 16.483 0.157 0.000) 16.484 10.309 ( -3.956 0.717 0.000) 4.021 10.327 ( 2.951 -0.632 0.000) 3.018 11.136 ( -15.910 -0.019 0.000) 15.910 11.246 ( -1.860 0.017 0.000) 1.860 11.273 ( 20.226 0.110 0.000) 20.227 11.286 ( 2.439 0.020 0.000) 2.439 11.819 ( -5.299 0.120 0.000) 5.301 11.826 ( 5.794 -0.087 0.000) 5.794 11.897 ( -4.684 0.004 0.000) 4.684 11.964 ( 9.411 0.132 0.000) 9.412 13.058 ( 1.653 0.592 0.000) 1.756 13.068 ( -2.094 -0.591 0.000) 2.176 13.117 ( 6.319 -0.176 0.000) 6.322 13.150 ( -5.119 -0.020 0.000) 5.119 13.954 ( -15.477 -0.027 0.000) 15.477 13.984 ( 14.971 0.062 0.000) 14.971 14.101 ( -9.654 -0.154 0.000) 9.655 14.155 ( 4.677 0.525 0.000) 4.706 15.095 ( -5.353 -0.203 0.000) 5.356 15.290 ( 0.894 0.156 0.000) 0.907 15.654 ( -23.658 -3.714 0.000) 23.947 16.029 ( 13.239 -0.156 0.000) 13.240 16.253 ( -11.831 0.484 0.000) 11.841 16.519 ( 7.916 3.206 0.000) 8.540 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.249 ( -11.336 0.508 0.000) 11.347 1.432 ( -7.069 5.534 0.000) 8.978 1.570 ( 9.566 -2.012 0.000) 9.775 1.648 ( 7.746 -1.430 0.000) 7.877 2.018 ( 8.334 -3.227 0.000) 8.937 2.040 ( -12.049 5.870 0.000) 13.403 2.124 ( -9.191 0.638 0.000) 9.213 2.321 ( 1.912 -0.088 0.000) 1.914 2.404 ( 7.031 -1.469 0.000) 7.183 2.438 ( -2.561 -0.651 0.000) 2.642 2.537 ( -6.145 1.125 0.000) 6.247 2.638 ( 0.420 -0.818 0.000) 0.920 2.677 ( -0.308 -1.464 0.000) 1.496 2.954 ( 10.613 0.340 0.000) 10.618 3.124 ( -7.270 4.268 0.000) 8.430 3.195 ( -5.710 0.389 0.000) 5.723 3.272 ( 4.593 1.168 0.000) 4.739 3.391 ( 6.983 -2.411 0.000) 7.387 3.411 ( -1.156 -0.021 0.000) 1.156 3.459 ( -1.062 0.104 0.000) 1.067 3.547 ( -0.704 0.054 0.000) 0.706 3.588 ( -1.417 -4.696 0.000) 4.905 3.802 ( -1.540 -0.726 0.000) 1.703 3.824 ( 1.461 -1.336 0.000) 1.980 3.895 ( 2.374 -3.105 0.000) 3.909 4.131 ( -1.652 2.274 0.000) 2.811 4.448 ( -3.309 3.391 0.000) 4.738 4.584 ( 3.013 -1.683 0.000) 3.451 4.693 ( -4.600 -1.605 0.000) 4.872 5.053 ( 1.329 2.351 0.000) 2.701 8.199 ( -10.080 -0.368 0.000) 10.087 8.263 ( -1.991 0.513 0.000) 2.056 8.361 ( 1.932 -0.699 0.000) 2.054 8.550 ( 4.924 0.390 0.000) 4.940 8.845 ( -15.220 0.080 0.000) 15.220 9.401 ( 8.848 0.818 0.000) 8.885 10.035 ( -22.610 0.036 0.000) 22.610 10.161 ( -22.064 -0.418 0.000) 22.068 10.972 ( -1.732 0.449 0.000) 1.789 11.154 ( -7.982 -0.254 0.000) 7.986 11.278 ( -2.396 0.703 0.000) 2.497 11.575 ( 10.633 1.069 0.000) 10.687 11.684 ( -8.050 0.041 0.000) 8.050 11.797 ( -6.550 -0.175 0.000) 6.553 11.943 ( 5.998 0.187 0.000) 6.001 12.207 ( 18.585 2.896 0.000) 18.809 12.681 ( -21.583 -0.003 0.000) 21.583 12.883 ( -39.284 -0.219 0.000) 39.285 12.947 ( -13.358 0.284 0.000) 13.361 13.089 ( -9.210 -0.229 0.000) 9.213 13.860 ( 12.092 0.013 0.000) 12.092 14.057 ( 1.311 -2.821 0.000) 3.110 14.068 ( -4.357 -0.232 0.000) 4.363 14.363 ( 15.337 0.941 0.000) 15.366 15.182 ( 10.813 -2.722 0.000) 11.150 15.231 ( -26.933 -9.706 0.000) 28.629 15.565 ( 24.618 0.854 0.000) 24.633 16.027 ( -8.933 1.503 0.000) 9.059 16.303 ( 13.337 -2.418 0.000) 13.555 16.655 ( 10.601 4.917 0.000) 11.686 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.048 ( -9.491 2.198 0.000) 9.742 1.261 ( -4.300 10.486 0.000) 11.333 1.682 ( 0.664 -1.093 0.000) 1.279 1.738 ( -1.488 -2.835 0.000) 3.202 1.792 ( -7.570 7.137 0.000) 10.404 1.935 ( -12.973 -1.120 0.000) 13.021 2.178 ( 6.602 -2.089 0.000) 6.924 2.333 ( -11.429 -0.132 0.000) 11.430 2.346 ( -0.813 1.633 0.000) 1.825 2.385 ( -2.375 -0.090 0.000) 2.377 2.539 ( 2.749 1.182 0.000) 2.992 2.625 ( 1.232 -1.914 0.000) 2.276 2.746 ( 4.696 -3.008 0.000) 5.577 3.016 ( 0.598 2.319 0.000) 2.395 3.145 ( -1.541 -0.649 0.000) 1.672 3.164 ( 11.887 1.129 0.000) 11.940 3.323 ( 1.601 1.309 0.000) 2.068 3.386 ( -1.343 -0.548 0.000) 1.450 3.435 ( -0.765 0.160 0.000) 0.781 3.496 ( -2.261 0.273 0.000) 2.278 3.550 ( 5.595 -2.535 0.000) 6.142 3.630 ( 2.226 -3.995 0.000) 4.573 3.787 ( -1.186 -2.154 0.000) 2.459 3.892 ( 3.803 -2.527 0.000) 4.566 3.979 ( 2.987 -3.038 0.000) 4.261 4.065 ( -3.609 0.823 0.000) 3.701 4.339 ( -4.362 3.386 0.000) 5.522 4.621 ( -4.619 -1.974 0.000) 5.023 4.672 ( 5.934 0.256 0.000) 5.939 5.000 ( -4.354 3.873 0.000) 5.827 7.985 ( -13.821 -0.205 0.000) 13.822 8.233 ( -0.761 0.069 0.000) 0.764 8.397 ( 1.485 -0.278 0.000) 1.511 8.541 ( -7.192 0.568 0.000) 7.214 8.612 ( -8.852 0.113 0.000) 8.853 9.485 ( 2.962 1.131 0.000) 3.171 9.514 ( -32.464 0.196 0.000) 32.464 9.658 ( -30.538 -1.143 0.000) 30.559 10.956 ( -14.632 -0.480 0.000) 14.640 10.962 ( -0.566 1.634 0.000) 1.729 11.225 ( -1.094 2.099 0.000) 2.367 11.534 ( -7.900 0.014 0.000) 7.900 11.632 ( -6.259 0.852 0.000) 6.316 11.686 ( -1.492 -0.248 0.000) 1.512 11.959 ( -54.362 0.017 0.000) 54.362 12.042 ( 4.471 0.373 0.000) 4.487 12.325 ( -16.615 -0.108 0.000) 16.616 12.529 ( 17.321 6.912 0.000) 18.649 12.730 ( -8.460 0.281 0.000) 8.465 12.874 ( -11.888 -0.225 0.000) 11.891 13.954 ( -6.586 -0.756 0.000) 6.630 14.001 ( -19.841 -13.998 0.000) 24.282 14.156 ( 16.165 -0.101 0.000) 16.166 14.612 ( 11.459 0.918 0.000) 11.496 14.925 ( -12.294 -9.152 0.000) 15.327 15.468 ( 14.779 -6.925 0.000) 16.321 15.924 ( -0.554 -0.136 0.000) 0.571 16.017 ( 23.528 1.989 0.000) 23.612 16.564 ( 12.082 -2.887 0.000) 12.423 16.835 ( 14.006 5.619 0.000) 15.091 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.855 ( -8.040 5.666 0.000) 9.836 1.089 ( -3.464 15.187 0.000) 15.577 1.578 ( -24.567 0.683 0.000) 24.576 1.584 ( -6.123 6.685 0.000) 9.066 1.652 ( -4.000 0.070 0.000) 4.001 1.702 ( -5.855 -0.142 0.000) 5.857 2.070 ( -15.534 -0.665 0.000) 15.548 2.288 ( 3.234 -0.736 0.000) 3.316 2.343 ( 0.638 1.370 0.000) 1.511 2.372 ( 1.518 0.020 0.000) 1.518 2.544 ( 2.184 1.519 0.000) 2.660 2.742 ( 5.280 -4.106 0.000) 6.689 2.858 ( 3.791 -3.019 0.000) 4.846 3.026 ( -0.437 0.671 0.000) 0.801 3.146 ( 1.063 -0.378 0.000) 1.128 3.296 ( 3.197 1.645 0.000) 3.595 3.326 ( -0.262 -1.264 0.000) 1.290 3.358 ( -2.215 0.399 0.000) 2.250 3.410 ( -4.975 1.469 0.000) 5.187 3.516 ( 9.681 -1.318 0.000) 9.770 3.670 ( 4.761 0.763 0.000) 4.822 3.735 ( 5.594 -2.612 0.000) 6.174 3.808 ( 1.290 -3.861 0.000) 4.071 3.912 ( -6.688 1.782 0.000) 6.921 3.995 ( 4.280 -3.857 0.000) 5.761 4.126 ( 4.475 -7.151 0.000) 8.436 4.267 ( -0.386 2.943 0.000) 2.968 4.563 ( -3.297 -1.911 0.000) 3.811 4.805 ( 10.700 3.644 0.000) 11.304 4.835 ( -9.455 4.225 0.000) 10.356 7.708 ( -15.125 0.299 0.000) 15.128 8.241 ( 1.819 -0.014 0.000) 1.819 8.267 ( -20.387 0.242 0.000) 20.388 8.418 ( 0.398 -0.191 0.000) 0.441 8.528 ( -0.626 -0.217 0.000) 0.662 8.909 ( -30.846 0.150 0.000) 30.847 9.117 ( -28.542 -1.898 0.000) 28.605 9.554 ( 6.036 1.406 0.000) 6.198 10.515 ( -37.914 -0.627 0.000) 37.919 10.866 ( -11.093 -0.608 0.000) 11.109 11.107 ( -28.098 0.516 0.000) 28.103 11.222 ( 0.914 2.717 0.000) 2.867 11.413 ( -5.692 0.119 0.000) 5.693 11.465 ( -8.297 1.282 0.000) 8.396 11.669 ( -1.435 0.060 0.000) 1.437 12.001 ( -10.738 0.640 0.000) 10.757 12.170 ( 1.807 0.400 0.000) 1.851 12.550 ( -5.323 1.674 0.000) 5.580 12.620 ( -9.620 0.345 0.000) 9.626 12.779 ( 0.028 4.948 0.000) 4.949 13.628 ( -31.462 -26.122 0.000) 40.892 13.859 ( -4.392 -0.671 0.000) 4.443 14.416 ( 11.502 -0.472 0.000) 11.512 14.757 ( 3.014 -0.622 0.000) 3.077 14.884 ( 1.503 -1.834 0.000) 2.371 15.807 ( 13.145 -10.988 0.000) 17.133 16.005 ( 7.046 -1.907 0.000) 7.299 16.365 ( 16.240 2.518 0.000) 16.434 16.779 ( 8.456 -2.731 0.000) 8.886 17.085 ( 18.349 6.035 0.000) 19.316 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.659 ( -5.878 10.032 0.000) 11.627 0.805 ( -19.447 10.503 0.000) 22.102 1.106 ( -13.838 14.156 0.000) 19.796 1.449 ( -1.867 7.496 0.000) 7.725 1.562 ( -7.521 2.694 0.000) 7.989 1.612 ( -0.576 0.073 0.000) 0.581 1.792 ( -14.698 -2.683 0.000) 14.941 2.306 ( -0.360 -0.057 0.000) 0.364 2.351 ( 1.435 1.470 0.000) 2.055 2.429 ( 3.142 0.174 0.000) 3.147 2.574 ( 1.146 1.113 0.000) 1.598 2.852 ( 2.771 -3.881 0.000) 4.769 2.920 ( 0.913 -1.968 0.000) 2.169 2.970 ( -6.218 -3.299 0.000) 7.039 3.164 ( 1.157 0.986 0.000) 1.520 3.294 ( -3.869 2.587 0.000) 4.654 3.305 ( -1.391 1.179 0.000) 1.823 3.321 ( 0.356 1.371 0.000) 1.416 3.368 ( 1.284 -2.490 0.000) 2.802 3.695 ( 6.007 -2.853 0.000) 6.651 3.707 ( 0.097 0.933 0.000) 0.938 3.799 ( 0.600 0.470 0.000) 0.763 3.848 ( 1.118 1.335 0.000) 1.741 3.921 ( 7.667 -2.619 0.000) 8.102 4.105 ( 3.155 -5.395 0.000) 6.249 4.248 ( 2.584 3.033 0.000) 3.984 4.308 ( 4.595 -10.293 0.000) 11.273 4.521 ( -4.113 -0.822 0.000) 4.194 4.619 ( -8.517 2.172 0.000) 8.789 5.030 ( 19.510 7.674 0.000) 20.965 7.468 ( -9.662 0.377 0.000) 9.669 7.901 ( -16.361 -0.008 0.000) 16.361 8.301 ( 2.937 0.112 0.000) 2.940 8.348 ( -9.917 0.033 0.000) 9.917 8.518 ( -6.393 -0.209 0.000) 6.396 8.571 ( 4.196 -0.417 0.000) 4.216 8.674 ( -20.599 -2.144 0.000) 20.710 9.655 ( 4.554 1.676 0.000) 4.853 9.767 ( -34.740 -0.124 0.000) 34.741 10.480 ( -36.544 -8.071 0.000) 37.424 10.795 ( -9.363 0.241 0.000) 9.366 11.246 ( 2.657 1.461 0.000) 3.032 11.333 ( -2.969 0.095 0.000) 2.971 11.342 ( -2.639 3.864 0.000) 4.679 11.641 ( -1.334 -0.084 0.000) 1.336 11.801 ( -8.237 2.794 0.000) 8.698 12.213 ( 2.151 0.583 0.000) 2.229 12.283 ( -25.376 -4.463 0.000) 25.765 12.497 ( -2.972 -0.083 0.000) 2.973 12.629 ( -7.648 -0.195 0.000) 7.650 13.457 ( -6.540 -10.947 0.000) 12.752 13.802 ( -2.218 -0.247 0.000) 2.231 14.581 ( 5.886 -0.724 0.000) 5.931 14.744 ( -2.364 -0.351 0.000) 2.390 14.967 ( 4.160 -0.472 0.000) 4.186 16.102 ( 7.588 -12.110 0.000) 14.291 16.155 ( 5.697 -3.055 0.000) 6.465 16.577 ( 8.595 0.922 0.000) 8.644 16.915 ( 4.140 -2.052 0.000) 4.621 17.385 ( 17.659 4.638 0.000) 18.258 ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.382 ( -0.000 10.641 0.000) 10.641 0.497 ( -0.000 13.338 0.000) 13.338 0.844 ( -0.000 23.400 0.000) 23.400 1.375 ( -0.000 11.362 0.000) 11.362 1.446 ( -0.000 0.218 0.000) 0.218 1.622 ( -0.000 1.125 0.000) 1.125 1.654 ( 0.000 -4.320 0.000) 4.320 2.299 ( -0.000 0.533 0.000) 0.533 2.363 ( -0.000 0.819 0.000) 0.819 2.458 ( -0.000 0.245 0.000) 0.245 2.560 ( -0.000 1.722 0.000) 1.722 2.900 ( 0.000 -2.077 0.000) 2.077 2.922 ( 0.000 -4.220 0.000) 4.220 2.942 ( 0.000 -2.145 0.000) 2.145 3.173 ( -0.000 0.463 0.000) 0.463 3.229 ( -0.000 2.788 0.000) 2.788 3.276 ( -0.000 1.506 0.000) 1.506 3.312 ( -0.000 2.231 0.000) 2.231 3.405 ( 0.000 -2.185 0.000) 2.185 3.703 ( 0.000 -0.748 0.000) 0.748 3.780 ( 0.000 -4.309 0.000) 4.309 3.809 ( -0.000 0.170 0.000) 0.170 3.833 ( -0.000 3.932 0.000) 3.932 4.035 ( -0.000 0.139 0.000) 0.139 4.185 ( 0.000 -6.133 0.000) 6.133 4.245 ( -0.000 2.800 0.000) 2.800 4.426 ( -0.000 0.586 0.000) 0.586 4.460 ( 0.000 -11.492 0.000) 11.492 4.565 ( 0.000 -0.709 0.000) 0.709 5.278 ( -0.000 3.285 0.000) 3.285 7.373 ( -0.000 0.282 0.000) 0.282 7.741 ( 0.000 -0.073 0.000) 0.073 8.188 ( -0.000 0.125 0.000) 0.125 8.403 ( 0.000 -0.439 0.000) 0.439 8.426 ( -0.000 0.285 0.000) 0.285 8.515 ( 0.000 -0.890 0.000) 0.890 8.635 ( 0.000 -0.428 0.000) 0.428 9.399 ( 0.000 -0.014 0.000) 0.014 9.698 ( -0.000 1.830 0.000) 1.830 9.935 ( -0.000 0.070 0.000) 0.070 10.708 ( -0.000 0.172 0.000) 0.172 11.279 ( 0.000 -0.420 0.000) 0.420 11.289 ( -0.000 4.452 0.000) 4.452 11.302 ( -0.000 0.079 0.000) 0.079 11.628 ( 0.000 -0.132 0.000) 0.132 11.682 ( -0.000 4.710 0.000) 4.710 11.996 ( 0.000 -0.063 0.000) 0.063 12.229 ( -0.000 0.578 0.000) 0.578 12.471 ( -0.000 0.068 0.000) 0.068 12.564 ( -0.000 0.101 0.000) 0.101 13.449 ( 0.000 -1.850 0.000) 1.850 13.782 ( 0.000 -0.037 0.000) 0.037 14.642 ( 0.000 -0.678 0.000) 0.678 14.721 ( 0.000 -0.127 0.000) 0.127 15.011 ( 0.000 -0.522 0.000) 0.522 16.238 ( 0.000 -3.412 0.000) 3.412 16.261 ( 0.000 -8.627 0.000) 8.627 16.668 ( 0.000 -2.976 0.000) 2.976 16.968 ( 0.000 -1.641 0.000) 1.641 17.561 ( -0.000 0.977 0.000) 0.977 ======================= Grid point 34 (23/93) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.253 ( -11.115 -0.000 0.000) 11.115 1.481 ( -6.127 -0.000 0.000) 6.127 1.552 ( 10.092 0.000 0.000) 10.092 1.634 ( 7.172 0.000 0.000) 7.172 1.990 ( 9.136 0.000 0.000) 9.136 2.095 ( -12.590 -0.000 0.000) 12.590 2.130 ( -9.813 -0.000 0.000) 9.813 2.319 ( 2.535 0.000 0.000) 2.535 2.389 ( 5.418 0.000 0.000) 5.418 2.430 ( -1.894 -0.000 0.000) 1.894 2.550 ( -4.651 -0.000 0.000) 4.651 2.629 ( 1.053 0.000 0.000) 1.053 2.664 ( -0.835 -0.000 0.000) 0.835 2.956 ( 10.637 0.000 0.000) 10.637 3.172 ( -2.273 -0.000 0.000) 2.273 3.193 ( -13.119 -0.000 0.000) 13.119 3.287 ( 6.048 0.000 0.000) 6.048 3.364 ( 5.274 0.000 0.000) 5.274 3.411 ( -1.113 -0.000 0.000) 1.113 3.460 ( -1.006 -0.000 0.000) 1.006 3.536 ( 0.546 0.000 0.000) 0.546 3.555 ( -0.746 -0.000 0.000) 0.746 3.796 ( -2.176 -0.000 0.000) 2.176 3.813 ( 1.398 0.000 0.000) 1.398 3.867 ( 1.943 0.000 0.000) 1.943 4.151 ( -1.770 -0.000 0.000) 1.770 4.485 ( -4.445 -0.000 0.000) 4.445 4.562 ( 4.594 0.000 0.000) 4.594 4.679 ( -4.545 -0.000 0.000) 4.545 5.073 ( 1.648 0.000 0.000) 1.648 8.196 ( -10.087 -0.000 0.000) 10.087 8.268 ( -2.426 -0.000 0.000) 2.426 8.354 ( 2.375 0.000 0.000) 2.375 8.553 ( 4.992 0.000 0.000) 4.992 8.846 ( -15.082 -0.000 0.000) 15.082 9.408 ( 8.920 0.000 0.000) 8.920 10.035 ( -22.581 -0.000 0.000) 22.581 10.158 ( -22.262 -0.000 0.000) 22.262 10.976 ( -1.070 -0.000 0.000) 1.070 11.152 ( -8.032 -0.000 0.000) 8.032 11.284 ( -2.055 -0.000 0.000) 2.055 11.584 ( 10.358 0.000 0.000) 10.358 11.685 ( -8.043 -0.000 0.000) 8.043 11.795 ( -6.594 -0.000 0.000) 6.594 11.945 ( 6.046 0.000 0.000) 6.046 12.232 ( 19.893 0.000 0.000) 19.893 12.681 ( -21.618 -0.000 0.000) 21.618 12.881 ( -39.262 -0.000 0.000) 39.262 12.949 ( -13.460 -0.000 0.000) 13.460 13.086 ( -9.097 -0.000 0.000) 9.097 13.861 ( 12.193 0.000 0.000) 12.193 14.032 ( -0.638 -0.000 0.000) 0.638 14.066 ( -4.678 -0.000 0.000) 4.678 14.373 ( 15.659 0.000 0.000) 15.659 15.147 ( -27.540 -0.000 0.000) 27.540 15.158 ( 9.671 0.000 0.000) 9.671 15.573 ( 24.955 0.000 0.000) 24.955 16.041 ( -9.899 -0.000 0.000) 9.899 16.281 ( 13.709 0.000 0.000) 13.709 16.698 ( 10.052 0.000 0.000) 10.052 ======================= Grid point 35 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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 ( -8.095 0.825 0.000) 8.137 1.391 ( -1.778 4.411 0.000) 4.756 1.670 ( 1.907 -0.388 0.000) 1.947 1.699 ( -0.895 -1.359 0.000) 1.628 1.882 ( -8.374 3.080 0.000) 8.922 1.919 ( -14.300 -0.606 0.000) 14.313 2.154 ( 8.080 -0.755 0.000) 8.115 2.331 ( -10.723 0.060 0.000) 10.723 2.356 ( -0.156 -0.161 0.000) 0.224 2.381 ( -2.512 -0.227 0.000) 2.523 2.558 ( 5.249 0.940 0.000) 5.332 2.605 ( -2.729 -0.647 0.000) 2.805 2.712 ( 4.546 -1.111 0.000) 4.680 3.051 ( 0.041 1.514 0.000) 1.514 3.132 ( -2.489 -0.691 0.000) 2.583 3.177 ( 12.816 0.415 0.000) 12.823 3.357 ( -0.724 2.669 0.000) 2.765 3.380 ( -1.941 -0.121 0.000) 1.945 3.437 ( -0.960 0.090 0.000) 0.964 3.449 ( 4.721 -4.399 0.000) 6.453 3.530 ( -0.287 0.064 0.000) 0.294 3.603 ( 5.344 -0.282 0.000) 5.351 3.760 ( -1.988 -0.927 0.000) 2.194 3.862 ( 3.347 -0.958 0.000) 3.481 3.920 ( 2.757 -2.425 0.000) 3.672 4.090 ( -4.992 1.058 0.000) 5.102 4.386 ( -4.627 1.694 0.000) 4.928 4.597 ( -4.443 -0.765 0.000) 4.509 4.672 ( 7.516 -0.114 0.000) 7.517 5.045 ( -4.324 1.400 0.000) 4.545 7.983 ( -13.457 -0.059 0.000) 13.457 8.234 ( -0.984 0.045 0.000) 0.985 8.393 ( 1.687 -0.161 0.000) 1.694 8.548 ( -7.320 0.222 0.000) 7.324 8.614 ( -9.045 0.034 0.000) 9.045 9.498 ( 2.910 0.422 0.000) 2.941 9.516 ( -32.403 0.079 0.000) 32.404 9.646 ( -30.747 -0.347 0.000) 30.749 10.950 ( -14.725 -0.184 0.000) 14.726 10.981 ( -0.627 0.643 0.000) 0.898 11.250 ( -0.371 0.833 0.000) 0.911 11.534 ( -8.004 -0.002 0.000) 8.004 11.646 ( -8.187 0.685 0.000) 8.216 11.679 ( 0.383 -0.443 0.000) 0.586 11.959 ( -54.175 0.011 0.000) 54.175 12.047 ( 4.670 0.140 0.000) 4.672 12.323 ( -16.585 -0.035 0.000) 16.585 12.617 ( 17.684 2.988 0.000) 17.934 12.736 ( -5.938 0.371 0.000) 5.950 12.868 ( -12.620 -0.403 0.000) 12.626 13.827 ( -29.432 -5.857 0.000) 30.009 13.945 ( -6.663 -0.287 0.000) 6.669 14.154 ( 15.993 -0.051 0.000) 15.993 14.632 ( 11.052 1.063 0.000) 11.103 14.817 ( -5.897 -3.621 0.000) 6.920 15.385 ( 12.849 -2.665 0.000) 13.123 15.926 ( -1.648 0.139 0.000) 1.654 16.041 ( 23.951 0.775 0.000) 23.964 16.528 ( 12.283 -1.213 0.000) 12.343 16.901 ( 13.319 2.077 0.000) 13.480 ======================= Grid point 36 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.933 ( -5.576 3.425 0.000) 6.544 1.313 ( -2.093 11.273 0.000) 11.466 1.575 ( -21.708 -1.445 0.000) 21.756 1.627 ( -6.845 -0.331 0.000) 6.853 1.652 ( -3.341 -0.109 0.000) 3.343 1.751 ( -2.921 4.472 0.000) 5.341 2.058 ( -17.413 -0.612 0.000) 17.424 2.277 ( 3.612 -0.528 0.000) 3.651 2.361 ( 0.662 0.603 0.000) 0.896 2.367 ( 1.456 -0.474 0.000) 1.531 2.566 ( 1.328 0.969 0.000) 1.644 2.688 ( 5.399 -2.132 0.000) 5.804 2.819 ( 5.026 -1.718 0.000) 5.311 3.042 ( -3.839 1.050 0.000) 3.980 3.138 ( 3.667 -0.472 0.000) 3.697 3.308 ( -2.025 -0.746 0.000) 2.158 3.322 ( 1.506 1.510 0.000) 2.133 3.358 ( -1.161 -0.434 0.000) 1.239 3.426 ( -4.645 0.449 0.000) 4.667 3.502 ( 10.047 -0.388 0.000) 10.055 3.677 ( 8.520 -0.251 0.000) 8.524 3.704 ( 6.927 -0.781 0.000) 6.971 3.752 ( 0.503 -2.582 0.000) 2.630 3.938 ( -9.108 1.260 0.000) 9.195 3.943 ( 3.730 -2.266 0.000) 4.364 4.009 ( 2.762 -5.818 0.000) 6.440 4.319 ( -0.643 2.563 0.000) 2.643 4.536 ( -2.971 -1.223 0.000) 3.213 4.851 ( 13.123 1.885 0.000) 13.258 4.892 ( -10.239 2.440 0.000) 10.526 7.713 ( -14.895 0.205 0.000) 14.897 8.240 ( 1.834 -0.064 0.000) 1.835 8.270 ( -20.669 0.146 0.000) 20.670 8.415 ( 0.409 -0.138 0.000) 0.432 8.526 ( -0.844 -0.112 0.000) 0.851 8.911 ( -30.967 0.122 0.000) 30.967 9.094 ( -28.664 -0.907 0.000) 28.679 9.574 ( 6.192 0.854 0.000) 6.251 10.506 ( -37.645 -0.386 0.000) 37.647 10.858 ( -15.103 -0.349 0.000) 15.107 11.115 ( -28.948 0.341 0.000) 28.950 11.259 ( 1.362 1.623 0.000) 2.119 11.415 ( -5.792 0.064 0.000) 5.792 11.488 ( -6.408 1.224 0.000) 6.524 11.669 ( -1.523 -0.045 0.000) 1.524 12.011 ( -9.860 0.454 0.000) 9.870 12.176 ( 2.092 0.246 0.000) 2.107 12.566 ( -5.813 0.499 0.000) 5.835 12.627 ( -13.195 0.352 0.000) 13.200 12.882 ( -3.237 7.543 0.000) 8.208 13.272 ( -23.241 -17.254 0.000) 28.946 13.849 ( -4.065 -0.411 0.000) 4.086 14.408 ( 11.142 -0.390 0.000) 11.148 14.749 ( 2.014 -0.293 0.000) 2.035 14.862 ( 5.003 -0.927 0.000) 5.088 15.652 ( 11.214 -6.986 0.000) 13.212 15.980 ( 6.052 -0.997 0.000) 6.133 16.404 ( 16.366 1.816 0.000) 16.467 16.740 ( 9.093 -1.790 0.000) 9.268 17.161 ( 17.008 3.063 0.000) 17.282 ======================= Grid point 37 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.806 ( -3.429 7.240 0.000) 8.010 0.942 ( -26.165 6.341 0.000) 26.922 1.338 ( -1.149 12.364 0.000) 12.417 1.504 ( -5.333 0.607 0.000) 5.367 1.607 ( -2.168 -0.646 0.000) 2.262 1.665 ( -1.553 7.656 0.000) 7.812 1.749 ( -15.001 -2.171 0.000) 15.157 2.299 ( -0.346 -0.699 0.000) 0.780 2.372 ( 1.092 0.906 0.000) 1.419 2.427 ( 3.087 -0.295 0.000) 3.101 2.593 ( 1.484 1.009 0.000) 1.794 2.791 ( 3.137 -3.084 0.000) 4.399 2.899 ( 2.246 -0.763 0.000) 2.373 2.932 ( -6.912 -1.406 0.000) 7.054 3.186 ( 1.655 1.707 0.000) 2.378 3.321 ( 1.083 -1.709 0.000) 2.023 3.322 ( -0.405 0.689 0.000) 0.800 3.332 ( -0.576 0.181 0.000) 0.604 3.334 ( -3.643 0.749 0.000) 3.720 3.648 ( 2.915 -2.597 0.000) 3.904 3.722 ( -1.707 0.916 0.000) 1.937 3.804 ( -0.998 0.107 0.000) 1.003 3.871 ( 5.680 1.137 0.000) 5.793 3.884 ( 11.153 -1.709 0.000) 11.283 4.028 ( 2.540 -3.707 0.000) 4.494 4.129 ( 3.242 -9.708 0.000) 10.235 4.305 ( 1.050 2.809 0.000) 2.998 4.505 ( -2.055 -0.969 0.000) 2.272 4.655 ( -11.902 1.936 0.000) 12.059 5.124 ( 18.277 3.943 0.000) 18.698 7.474 ( -9.747 0.319 0.000) 9.752 7.900 ( -16.488 -0.010 0.000) 16.488 8.304 ( 3.410 0.177 0.000) 3.415 8.347 ( -10.139 -0.243 0.000) 10.142 8.515 ( -6.756 -0.104 0.000) 6.757 8.564 ( 4.160 -0.302 0.000) 4.171 8.646 ( -19.733 -1.166 0.000) 19.767 9.682 ( 4.442 1.452 0.000) 4.673 9.764 ( -34.154 -0.238 0.000) 34.154 10.387 ( -35.737 -3.604 0.000) 35.918 10.799 ( -9.470 0.204 0.000) 9.472 11.267 ( 0.572 0.965 0.000) 1.122 11.335 ( -2.935 0.103 0.000) 2.936 11.407 ( -0.891 3.610 0.000) 3.719 11.639 ( -1.426 -0.100 0.000) 1.430 11.846 ( -5.877 2.404 0.000) 6.350 12.222 ( 2.207 0.471 0.000) 2.257 12.233 ( -24.410 -1.895 0.000) 24.483 12.497 ( -2.640 -0.010 0.000) 2.640 12.627 ( -7.541 -0.022 0.000) 7.541 13.334 ( 5.149 -4.913 0.000) 7.117 13.798 ( -1.894 -0.199 0.000) 1.904 14.568 ( 5.662 -0.823 0.000) 5.721 14.739 ( -1.937 -0.305 0.000) 1.961 14.961 ( 4.216 -0.248 0.000) 4.223 15.896 ( 6.677 -11.236 0.000) 13.070 16.108 ( 5.026 -2.381 0.000) 5.562 16.611 ( 8.161 2.407 0.000) 8.509 16.883 ( 4.662 -1.724 0.000) 4.971 17.442 ( 14.538 2.487 0.000) 14.749 ======================= Grid point 38 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.546 ( -0.000 8.850 0.000) 8.850 0.696 ( -0.000 10.351 0.000) 10.351 1.200 ( -0.000 19.051 0.000) 19.051 1.449 ( -0.000 0.175 0.000) 0.175 1.567 ( -0.000 11.030 0.000) 11.030 1.574 ( 0.000 -5.095 0.000) 5.095 1.639 ( -0.000 0.796 0.000) 0.796 2.299 ( 0.000 -0.477 0.000) 0.477 2.378 ( -0.000 0.909 0.000) 0.909 2.459 ( 0.000 -0.123 0.000) 0.123 2.589 ( -0.000 1.742 0.000) 1.742 2.851 ( 0.000 -3.992 0.000) 3.992 2.868 ( 0.000 -1.687 0.000) 1.687 2.921 ( 0.000 -0.459 0.000) 0.459 3.188 ( -0.000 1.369 0.000) 1.369 3.273 ( -0.000 2.378 0.000) 2.378 3.301 ( -0.000 1.469 0.000) 1.469 3.333 ( -0.000 0.295 0.000) 0.295 3.364 ( 0.000 -2.736 0.000) 2.736 3.691 ( 0.000 -0.645 0.000) 0.645 3.702 ( 0.000 -4.732 0.000) 4.732 3.810 ( -0.000 0.066 0.000) 0.066 3.897 ( -0.000 3.610 0.000) 3.610 4.038 ( -0.000 0.166 0.000) 0.166 4.090 ( 0.000 -5.042 0.000) 5.042 4.259 ( 0.000 -11.910 0.000) 11.910 4.295 ( -0.000 2.803 0.000) 2.803 4.439 ( -0.000 1.141 0.000) 1.141 4.549 ( 0.000 -1.162 0.000) 1.162 5.326 ( -0.000 2.434 0.000) 2.434 7.378 ( -0.000 0.287 0.000) 0.287 7.740 ( 0.000 -0.076 0.000) 0.076 8.191 ( -0.000 0.135 0.000) 0.135 8.395 ( 0.000 -0.517 0.000) 0.517 8.431 ( -0.000 0.280 0.000) 0.280 8.499 ( 0.000 -0.865 0.000) 0.865 8.628 ( 0.000 -0.380 0.000) 0.380 9.399 ( 0.000 -0.008 0.000) 0.008 9.729 ( -0.000 1.741 0.000) 1.741 9.936 ( -0.000 0.071 0.000) 0.071 10.711 ( -0.000 0.179 0.000) 0.179 11.272 ( 0.000 -0.425 0.000) 0.425 11.305 ( -0.000 0.271 0.000) 0.271 11.368 ( -0.000 4.794 0.000) 4.794 11.626 ( 0.000 -0.133 0.000) 0.133 11.760 ( -0.000 4.420 0.000) 4.420 11.995 ( 0.000 -0.065 0.000) 0.065 12.239 ( -0.000 0.584 0.000) 0.584 12.473 ( -0.000 0.070 0.000) 0.070 12.566 ( -0.000 0.100 0.000) 0.100 13.412 ( 0.000 -2.435 0.000) 2.435 13.781 ( 0.000 -0.041 0.000) 0.041 14.628 ( 0.000 -0.946 0.000) 0.946 14.718 ( 0.000 -0.127 0.000) 0.127 15.004 ( 0.000 -0.370 0.000) 0.370 16.064 ( 0.000 -13.251 0.000) 13.251 16.180 ( 0.000 -3.264 0.000) 3.264 16.667 ( -0.000 1.952 0.000) 1.952 16.939 ( 0.000 -1.682 0.000) 1.682 17.580 ( -0.000 1.167 0.000) 1.167 ======================= Grid point 45 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.963 ( -4.667 -0.000 0.000) 4.667 1.429 ( 3.126 0.000 0.000) 3.126 1.543 ( -25.731 -0.000 0.000) 25.731 1.621 ( -6.120 -0.000 0.000) 6.120 1.651 ( -2.881 -0.000 0.000) 2.881 1.793 ( -2.784 -0.000 0.000) 2.784 2.053 ( -18.016 -0.000 0.000) 18.016 2.272 ( 3.659 0.000 0.000) 3.659 2.362 ( 1.478 0.000 0.000) 1.478 2.365 ( 0.652 0.000 0.000) 0.652 2.573 ( 0.852 0.000 0.000) 0.852 2.672 ( 5.503 0.000 0.000) 5.503 2.804 ( 5.464 0.000 0.000) 5.464 3.053 ( -6.093 -0.000 0.000) 6.093 3.134 ( 5.981 0.000 0.000) 5.981 3.302 ( -3.135 -0.000 0.000) 3.135 3.344 ( -1.678 -0.000 0.000) 1.678 3.346 ( 1.715 0.000 0.000) 1.715 3.429 ( -4.084 -0.000 0.000) 4.084 3.500 ( 10.208 0.000 0.000) 10.208 3.669 ( 12.221 0.000 0.000) 12.221 3.703 ( 4.658 0.000 0.000) 4.658 3.729 ( 0.205 0.000 0.000) 0.205 3.924 ( 3.571 0.000 0.000) 3.571 3.949 ( -10.009 -0.000 0.000) 10.009 3.957 ( 2.401 0.000 0.000) 2.401 4.341 ( -0.879 -0.000 0.000) 0.879 4.526 ( -2.847 -0.000 0.000) 2.847 4.867 ( 13.929 0.000 0.000) 13.929 4.913 ( -10.505 -0.000 0.000) 10.505 7.714 ( -14.813 -0.000 0.000) 14.813 8.239 ( 1.827 0.000 0.000) 1.827 8.271 ( -20.777 -0.000 0.000) 20.777 8.414 ( 0.427 0.000 0.000) 0.427 8.525 ( -0.925 -0.000 0.000) 0.925 8.912 ( -31.016 -0.000 0.000) 31.016 9.086 ( -28.703 -0.000 0.000) 28.703 9.581 ( 6.259 0.000 0.000) 6.259 10.503 ( -37.548 -0.000 0.000) 37.548 10.855 ( -16.516 -0.000 0.000) 16.516 11.118 ( -29.232 -0.000 0.000) 29.232 11.273 ( 1.461 0.000 0.000) 1.461 11.415 ( -5.845 -0.000 0.000) 5.845 11.499 ( -5.644 -0.000 0.000) 5.644 11.668 ( -1.523 -0.000 0.000) 1.523 12.015 ( -9.486 -0.000 0.000) 9.486 12.178 ( 2.196 0.000 0.000) 2.196 12.570 ( -5.619 -0.000 0.000) 5.619 12.630 ( -14.312 -0.000 0.000) 14.312 13.028 ( 17.254 0.000 0.000) 17.254 13.046 ( -41.945 -0.000 0.000) 41.945 13.846 ( -3.941 -0.000 0.000) 3.941 14.404 ( 10.970 0.000 0.000) 10.970 14.747 ( 1.466 0.000 0.000) 1.466 14.854 ( 6.318 0.000 0.000) 6.318 15.591 ( 10.443 0.000 0.000) 10.443 15.972 ( 5.604 0.000 0.000) 5.604 16.420 ( 16.483 0.000 0.000) 16.483 16.725 ( 9.364 0.000 0.000) 9.364 17.186 ( 16.460 0.000 0.000) 16.460 ======================= Grid point 47 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.890 ( -2.224 2.684 0.000) 3.486 1.017 ( -27.292 2.464 0.000) 27.403 1.479 ( 2.536 3.910 0.000) 4.660 1.506 ( -5.435 -0.038 0.000) 5.435 1.603 ( -2.731 0.452 0.000) 2.768 1.723 ( -14.871 -0.905 0.000) 14.899 1.762 ( 0.059 3.279 0.000) 3.279 2.288 ( -0.509 -0.444 0.000) 0.676 2.380 ( 0.803 0.116 0.000) 0.812 2.422 ( 3.139 -0.214 0.000) 3.146 2.604 ( 1.760 0.304 0.000) 1.786 2.758 ( 3.219 -0.911 0.000) 3.346 2.891 ( 3.298 -0.266 0.000) 3.308 2.918 ( -7.338 -0.344 0.000) 7.347 3.219 ( 2.978 1.987 0.000) 3.580 3.281 ( 0.278 -2.140 0.000) 2.158 3.325 ( -0.299 -0.115 0.000) 0.320 3.337 ( -0.980 0.274 0.000) 1.018 3.351 ( -3.578 0.582 0.000) 3.625 3.616 ( 0.803 -1.081 0.000) 1.347 3.735 ( -3.287 0.454 0.000) 3.318 3.805 ( -1.643 0.123 0.000) 1.647 3.866 ( 13.261 -0.498 0.000) 13.270 3.879 ( 8.623 -0.084 0.000) 8.623 3.985 ( 2.322 -1.316 0.000) 2.669 4.010 ( 1.725 -3.856 0.000) 4.225 4.339 ( 0.636 1.094 0.000) 1.266 4.493 ( -1.133 -0.403 0.000) 1.202 4.678 ( -13.451 0.760 0.000) 13.472 5.166 ( 17.433 1.230 0.000) 17.476 7.478 ( -9.808 0.125 0.000) 9.809 7.900 ( -16.566 -0.004 0.000) 16.566 8.307 ( 4.957 0.113 0.000) 4.958 8.342 ( -11.585 -0.190 0.000) 11.586 8.515 ( -6.901 -0.009 0.000) 6.901 8.561 ( 4.130 -0.110 0.000) 4.131 8.634 ( -19.356 -0.371 0.000) 19.360 9.700 ( 5.487 0.635 0.000) 5.524 9.760 ( -34.918 -0.179 0.000) 34.919 10.350 ( -34.651 -1.033 0.000) 34.666 10.801 ( -9.540 0.080 0.000) 9.541 11.278 ( -0.712 0.313 0.000) 0.778 11.336 ( -2.825 0.054 0.000) 2.826 11.451 ( -0.016 1.482 0.000) 1.482 11.638 ( -1.449 -0.044 0.000) 1.450 11.875 ( -4.521 0.957 0.000) 4.621 12.214 ( -23.502 -0.524 0.000) 23.508 12.228 ( 2.247 0.180 0.000) 2.254 12.497 ( -2.525 -0.001 0.000) 2.525 12.627 ( -7.492 0.008 0.000) 7.492 13.280 ( 8.766 -1.616 0.000) 8.914 13.796 ( -1.698 -0.076 0.000) 1.700 14.557 ( 5.466 -0.399 0.000) 5.481 14.735 ( -1.671 -0.122 0.000) 1.675 14.958 ( 4.235 -0.076 0.000) 4.236 15.762 ( 5.894 -4.362 0.000) 7.332 16.080 ( 4.633 -0.859 0.000) 4.712 16.642 ( 8.180 1.061 0.000) 8.249 16.862 ( 5.015 -0.678 0.000) 5.060 17.470 ( 13.206 0.843 0.000) 13.233 ======================= Grid point 48 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.668 ( -0.000 5.504 0.000) 5.504 0.833 ( -0.000 5.849 0.000) 5.849 1.451 ( -0.000 0.088 0.000) 0.088 1.463 ( -0.000 12.180 0.000) 12.180 1.496 ( 0.000 -3.809 0.000) 3.809 1.643 ( 0.000 -0.595 0.000) 0.595 1.721 ( -0.000 6.918 0.000) 6.918 2.287 ( 0.000 -0.808 0.000) 0.808 2.388 ( -0.000 0.167 0.000) 0.167 2.455 ( 0.000 -0.317 0.000) 0.317 2.614 ( -0.000 1.102 0.000) 1.102 2.800 ( 0.000 -1.978 0.000) 1.978 2.846 ( 0.000 -0.949 0.000) 0.949 2.920 ( -0.000 0.182 0.000) 0.182 3.221 ( -0.000 2.526 0.000) 2.526 3.305 ( -0.000 1.356 0.000) 1.356 3.317 ( 0.000 -2.908 0.000) 2.908 3.321 ( -0.000 0.888 0.000) 0.888 3.328 ( 0.000 -0.616 0.000) 0.616 3.635 ( 0.000 -3.084 0.000) 3.084 3.683 ( 0.000 -0.372 0.000) 0.372 3.811 ( -0.000 0.007 0.000) 0.007 3.946 ( -0.000 2.065 0.000) 2.065 4.024 ( 0.000 -2.693 0.000) 2.693 4.040 ( -0.000 0.117 0.000) 0.117 4.084 ( 0.000 -8.249 0.000) 8.249 4.335 ( -0.000 1.789 0.000) 1.789 4.463 ( -0.000 1.590 0.000) 1.590 4.527 ( 0.000 -1.425 0.000) 1.425 5.357 ( -0.000 1.261 0.000) 1.261 7.382 ( -0.000 0.180 0.000) 0.180 7.738 ( 0.000 -0.049 0.000) 0.049 8.192 ( -0.000 0.088 0.000) 0.088 8.387 ( 0.000 -0.379 0.000) 0.379 8.435 ( -0.000 0.171 0.000) 0.171 8.488 ( 0.000 -0.504 0.000) 0.504 8.623 ( 0.000 -0.224 0.000) 0.224 9.399 ( 0.000 -0.002 0.000) 0.002 9.753 ( -0.000 1.041 0.000) 1.041 9.937 ( -0.000 0.044 0.000) 0.044 10.714 ( -0.000 0.114 0.000) 0.114 11.266 ( 0.000 -0.266 0.000) 0.266 11.309 ( -0.000 0.211 0.000) 0.211 11.437 ( -0.000 3.172 0.000) 3.172 11.624 ( 0.000 -0.082 0.000) 0.082 11.821 ( -0.000 2.668 0.000) 2.668 11.994 ( 0.000 -0.041 0.000) 0.041 12.247 ( -0.000 0.365 0.000) 0.365 12.474 ( -0.000 0.044 0.000) 0.044 12.568 ( -0.000 0.062 0.000) 0.062 13.375 ( 0.000 -1.841 0.000) 1.841 13.781 ( 0.000 -0.027 0.000) 0.027 14.612 ( 0.000 -0.806 0.000) 0.806 14.717 ( 0.000 -0.079 0.000) 0.079 14.999 ( 0.000 -0.171 0.000) 0.171 15.873 ( 0.000 -8.722 0.000) 8.722 16.136 ( 0.000 -1.894 0.000) 1.894 16.704 ( -0.000 1.944 0.000) 1.944 16.915 ( 0.000 -1.067 0.000) 1.067 17.597 ( -0.000 0.792 0.000) 0.792 ======================= Grid point 58 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.716 ( -0.000 0.000 0.000) 0.000 0.883 ( -0.000 0.000 0.000) 0.000 1.452 ( -0.000 0.000 0.000) 0.000 1.462 ( -0.000 0.000 0.000) 0.000 1.591 ( -0.000 0.000 0.000) 0.000 1.614 ( 0.000 -0.000 0.000) 0.000 1.781 ( 0.000 -0.000 0.000) 0.000 2.279 ( -0.000 0.000 0.000) 0.000 2.387 ( -0.000 0.000 0.000) 0.000 2.452 ( -0.000 0.000 0.000) 0.000 2.623 ( -0.000 0.000 0.000) 0.000 2.785 ( -0.000 0.000 0.000) 0.000 2.838 ( -0.000 0.000 0.000) 0.000 2.922 ( -0.000 0.000 0.000) 0.000 3.267 ( -0.000 0.000 0.000) 0.000 3.268 ( 0.000 -0.000 0.000) 0.000 3.316 ( -0.000 0.000 0.000) 0.000 3.322 ( -0.000 0.000 0.000) 0.000 3.329 ( -0.000 0.000 0.000) 0.000 3.608 ( -0.000 0.000 0.000) 0.000 3.680 ( -0.000 0.000 0.000) 0.000 3.811 ( -0.000 0.000 0.000) 0.000 3.963 ( -0.000 0.000 0.000) 0.000 4.002 ( -0.000 0.000 0.000) 0.000 4.012 ( -0.000 0.000 0.000) 0.000 4.041 ( -0.000 0.000 0.000) 0.000 4.350 ( -0.000 0.000 0.000) 0.000 4.483 ( -0.000 0.000 0.000) 0.000 4.509 ( -0.000 0.000 0.000) 0.000 5.367 ( -0.000 0.000 0.000) 0.000 7.383 ( -0.000 0.000 0.000) 0.000 7.738 ( -0.000 0.000 0.000) 0.000 8.193 ( -0.000 0.000 0.000) 0.000 8.383 ( -0.000 0.000 0.000) 0.000 8.437 ( -0.000 0.000 0.000) 0.000 8.483 ( -0.000 0.000 0.000) 0.000 8.621 ( -0.000 0.000 0.000) 0.000 9.399 ( -0.000 0.000 0.000) 0.000 9.762 ( -0.000 0.000 0.000) 0.000 9.938 ( -0.000 0.000 0.000) 0.000 10.715 ( -0.000 0.000 0.000) 0.000 11.264 ( -0.000 0.000 0.000) 0.000 11.311 ( -0.000 0.000 0.000) 0.000 11.465 ( -0.000 0.000 0.000) 0.000 11.623 ( -0.000 0.000 0.000) 0.000 11.844 ( -0.000 0.000 0.000) 0.000 11.994 ( -0.000 0.000 0.000) 0.000 12.250 ( -0.000 0.000 0.000) 0.000 12.474 ( -0.000 0.000 0.000) 0.000 12.568 ( -0.000 0.000 0.000) 0.000 13.358 ( -0.000 0.000 0.000) 0.000 13.781 ( -0.000 0.000 0.000) 0.000 14.605 ( -0.000 0.000 0.000) 0.000 14.716 ( -0.000 0.000 0.000) 0.000 14.998 ( -0.000 0.000 0.000) 0.000 15.797 ( -0.000 0.000 0.000) 0.000 16.120 ( -0.000 0.000 0.000) 0.000 16.722 ( -0.000 0.000 0.000) 0.000 16.906 ( -0.000 0.000 0.000) 0.000 17.604 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 105 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.319 ( 0.000 0.000 17.178) 17.178 0.329 ( 0.000 0.000 17.075) 17.075 0.803 ( 0.000 0.000 36.224) 36.224 1.093 ( 0.000 0.000 -1.719) 1.719 1.240 ( 0.000 0.000 -15.424) 15.424 1.735 ( 0.000 0.000 12.433) 12.433 1.922 ( 0.000 0.000 14.193) 14.193 2.257 ( 0.000 0.000 -4.439) 4.439 2.401 ( 0.000 0.000 -5.727) 5.727 2.492 ( 0.000 0.000 -3.922) 3.922 2.496 ( 0.000 0.000 0.681) 0.681 2.872 ( 0.000 0.000 -12.188) 12.188 2.951 ( 0.000 0.000 0.419) 0.419 3.014 ( 0.000 0.000 0.886) 0.886 3.100 ( 0.000 0.000 -4.546) 4.546 3.116 ( 0.000 0.000 0.080) 0.080 3.206 ( 0.000 0.000 1.907) 1.907 3.328 ( 0.000 0.000 6.254) 6.254 3.413 ( 0.000 0.000 -3.251) 3.251 3.682 ( 0.000 0.000 -3.913) 3.913 3.823 ( 0.000 0.000 2.078) 2.078 3.847 ( 0.000 0.000 -0.057) 0.057 3.855 ( 0.000 0.000 -1.755) 1.755 4.007 ( 0.000 0.000 -2.605) 2.605 4.347 ( 0.000 0.000 1.564) 1.564 4.377 ( 0.000 0.000 0.085) 0.085 4.416 ( 0.000 0.000 0.096) 0.096 4.463 ( 0.000 0.000 -0.550) 0.550 4.589 ( 0.000 0.000 1.404) 1.404 4.679 ( 0.000 0.000 -1.171) 1.171 7.504 ( 0.000 0.000 13.039) 13.039 7.752 ( 0.000 0.000 1.032) 1.032 8.184 ( 0.000 0.000 0.461) 0.461 8.400 ( 0.000 0.000 -1.103) 1.103 8.407 ( 0.000 0.000 -4.343) 4.343 8.432 ( 0.000 0.000 0.553) 0.553 8.882 ( 0.000 0.000 19.603) 19.603 9.409 ( 0.000 0.000 1.234) 1.234 9.847 ( 0.000 0.000 -9.132) 9.132 10.200 ( 0.000 0.000 -17.481) 17.481 10.736 ( 0.000 0.000 3.336) 3.336 11.179 ( 0.000 0.000 -9.912) 9.912 11.200 ( 0.000 0.000 -0.061) 0.061 11.289 ( 0.000 0.000 -1.556) 1.556 11.673 ( 0.000 0.000 4.634) 4.634 12.070 ( 0.000 0.000 11.573) 11.573 12.082 ( 0.000 0.000 7.664) 7.664 12.374 ( 0.000 0.000 -16.886) 16.886 12.443 ( 0.000 0.000 -2.934) 2.934 12.683 ( 0.000 0.000 -5.601) 5.601 13.961 ( 0.000 0.000 15.955) 15.955 14.673 ( 0.000 0.000 -5.435) 5.435 14.686 ( 0.000 0.000 3.499) 3.499 14.985 ( 0.000 0.000 -3.962) 3.962 15.765 ( 0.000 0.000 0.754) 0.754 15.790 ( 0.000 0.000 0.092) 0.092 16.484 ( 0.000 0.000 2.185) 2.185 16.643 ( 0.000 0.000 -1.854) 1.854 16.834 ( 0.000 0.000 1.684) 1.684 16.980 ( 0.000 0.000 -1.934) 1.934 ======================= Grid point 106 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.449 ( 7.573 -7.701 13.206) 17.060 0.689 ( 18.068 -2.316 16.574) 24.627 1.015 ( 23.076 -2.556 16.345) 28.393 1.146 ( 6.557 -1.815 3.543) 7.671 1.388 ( 13.883 -0.060 -12.478) 18.666 1.744 ( 1.089 0.017 11.468) 11.520 1.994 ( 7.289 0.419 11.705) 13.795 2.257 ( 0.355 0.467 -3.390) 3.440 2.358 ( -3.131 0.927 0.094) 3.267 2.382 ( -3.704 -1.720 -0.430) 4.106 2.515 ( -1.319 0.407 -5.563) 5.731 2.840 ( -1.518 3.559 -12.641) 13.220 3.005 ( -1.490 -1.905 0.261) 2.433 3.066 ( 5.195 4.039 -2.647) 7.093 3.137 ( 1.543 -0.959 -3.037) 3.539 3.172 ( 1.408 -0.391 -0.970) 1.754 3.178 ( 0.045 -5.178 -0.568) 5.209 3.365 ( 3.159 -0.470 5.868) 6.681 3.399 ( -1.236 0.332 -2.906) 3.175 3.658 ( -2.387 -0.349 -2.706) 3.625 3.766 ( -8.172 0.617 0.608) 8.218 3.817 ( -0.658 0.721 -0.578) 1.135 3.854 ( 1.111 1.198 0.853) 1.843 3.962 ( -3.130 0.038 -1.326) 3.399 4.238 ( -4.940 3.500 4.676) 7.650 4.294 ( -5.986 1.149 2.502) 6.589 4.419 ( -4.037 -3.559 -1.973) 5.732 4.499 ( 5.028 0.146 -1.739) 5.322 4.604 ( 1.692 -0.348 1.846) 2.528 4.685 ( -0.127 -2.683 -0.319) 2.705 7.601 ( 10.007 -0.080 13.702) 16.967 7.922 ( 16.679 0.109 1.374) 16.736 8.293 ( -3.670 0.261 -0.536) 3.718 8.304 ( 6.323 -0.101 -2.930) 6.970 8.461 ( 11.320 0.264 -0.754) 11.349 8.700 ( 20.400 1.131 -3.699) 20.763 8.822 ( -4.134 -0.297 18.764) 19.216 9.780 ( 35.445 0.181 1.458) 35.476 9.844 ( -5.272 -0.325 10.241) 11.523 10.471 ( 19.316 2.640 -31.002) 36.622 10.824 ( 9.514 -0.047 3.672) 10.198 11.123 ( 0.748 2.338 -6.866) 7.292 11.308 ( 2.159 -0.090 -2.376) 3.211 11.325 ( 9.392 0.406 -4.568) 10.452 11.686 ( 1.492 -0.011 5.043) 5.259 11.838 ( -8.763 -1.476 13.831) 16.439 12.213 ( 1.543 -0.351 4.564) 4.831 12.426 ( 5.364 -0.042 -15.072) 15.999 12.443 ( -0.214 -0.155 -3.981) 3.990 12.630 ( -3.595 0.778 -3.838) 5.316 13.987 ( 3.255 0.126 16.632) 16.948 14.628 ( -5.933 0.575 3.441) 6.883 14.698 ( 2.246 0.557 -4.521) 5.079 14.923 ( -6.682 2.839 -2.243) 7.599 15.253 ( 16.757 66.994 16.165) 70.925 15.980 ( -7.818 -9.239 -13.556) 18.173 16.390 ( -6.441 -0.438 6.057) 8.853 16.718 ( -11.331 0.642 2.547) 11.631 16.739 ( -10.549 -23.879 -8.177) 27.356 16.941 ( -4.131 0.117 -2.548) 4.855 ======================= Grid point 107 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.682 ( 10.013 -8.093 9.495) 15.997 0.957 ( 11.539 -3.058 22.265) 25.263 1.259 ( 7.453 -3.872 -6.300) 10.499 1.595 ( 26.623 -0.210 7.071) 27.547 1.657 ( 14.064 -0.032 -6.049) 15.309 1.782 ( 3.578 -0.063 9.459) 10.113 2.141 ( 7.428 -0.317 6.529) 9.894 2.260 ( -0.763 0.835 -3.647) 3.818 2.309 ( -0.697 0.002 -2.054) 2.169 2.354 ( -0.523 -1.602 1.881) 2.526 2.472 ( -2.808 -0.323 -3.726) 4.677 2.763 ( -3.179 4.377 -11.718) 12.907 2.981 ( -2.256 -0.793 -0.070) 2.392 3.041 ( -5.037 1.569 0.091) 5.277 3.121 ( 0.615 0.594 0.167) 0.872 3.224 ( -0.963 -3.977 -0.268) 4.101 3.261 ( 5.182 -0.702 -3.508) 6.297 3.364 ( -1.261 0.740 -1.148) 1.859 3.438 ( 3.334 -0.677 5.104) 6.134 3.565 ( -9.441 0.169 0.862) 9.482 3.634 ( -3.060 -0.401 -0.968) 3.234 3.800 ( -0.289 0.697 -2.815) 2.915 3.862 ( -0.097 0.708 -0.321) 0.783 3.908 ( -2.288 1.026 -1.047) 2.717 4.136 ( -5.771 3.012 1.332) 6.644 4.176 ( -3.581 0.570 2.467) 4.386 4.353 ( -2.276 2.413 -0.516) 3.357 4.569 ( 0.974 -0.951 -5.839) 5.996 4.659 ( 3.903 -0.032 2.889) 4.856 4.747 ( 4.469 -3.164 2.151) 5.883 7.849 ( 16.091 -0.087 14.387) 21.585 8.238 ( -1.412 0.026 0.183) 1.424 8.289 ( 20.619 0.043 1.931) 20.709 8.352 ( 1.445 0.506 -3.987) 4.271 8.722 ( -0.029 0.008 15.305) 15.305 8.924 ( 28.493 -0.010 3.313) 28.684 9.139 ( 27.947 1.627 -4.638) 28.376 9.695 ( -9.547 -0.631 12.106) 15.430 10.528 ( 38.354 0.455 -0.552) 38.361 10.678 ( 6.192 0.110 -14.160) 15.455 11.110 ( 23.597 -0.095 1.047) 23.621 11.190 ( 6.820 1.481 0.660) 7.010 11.374 ( 5.450 -0.212 -3.296) 6.373 11.526 ( 11.429 -0.423 -0.450) 11.446 11.733 ( 4.216 -0.135 7.619) 8.709 11.792 ( 2.115 -1.610 -7.639) 8.089 12.198 ( -2.173 -0.255 4.219) 4.753 12.413 ( -6.221 -3.713 -4.916) 8.755 12.563 ( 8.482 -0.162 -10.849) 13.772 12.578 ( -0.037 -0.957 -5.964) 6.040 14.076 ( 6.350 0.322 17.716) 18.822 14.459 ( -11.912 0.623 3.416) 12.408 14.680 ( -5.045 8.929 1.427) 10.355 14.744 ( -5.967 0.840 -3.824) 7.136 15.201 ( 18.321 31.718 1.127) 36.647 15.823 ( -8.536 6.041 -15.674) 18.842 16.244 ( -10.479 -1.519 7.428) 12.934 16.431 ( -17.215 2.047 7.226) 18.782 16.661 ( -13.983 -14.063 -6.635) 20.912 16.828 ( -7.510 1.163 -3.721) 8.461 ======================= Grid point 108 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.943 ( 11.532 -6.859 6.924) 15.099 1.185 ( 10.849 -1.931 19.371) 22.286 1.445 ( 8.892 -4.090 -7.065) 12.072 1.802 ( 1.817 0.270 -2.004) 2.719 1.807 ( 2.325 -0.871 5.802) 6.311 1.998 ( 10.294 2.643 2.691) 10.963 2.197 ( -2.012 -0.930 -5.323) 5.766 2.268 ( 4.887 0.691 1.170) 5.073 2.364 ( 4.190 0.176 0.914) 4.292 2.373 ( 1.429 -0.522 0.759) 1.700 2.463 ( 2.850 -1.738 -1.970) 3.877 2.663 ( -3.324 3.564 -6.424) 8.064 2.904 ( -5.863 3.435 0.875) 6.851 2.963 ( -0.612 -0.830 -0.406) 1.108 3.126 ( -0.162 -0.121 0.662) 0.692 3.191 ( -5.359 -2.539 3.977) 7.141 3.312 ( -3.066 0.942 1.096) 3.390 3.364 ( 3.625 -0.775 -1.840) 4.139 3.426 ( -2.721 0.527 -1.223) 3.029 3.500 ( 2.271 -0.701 3.010) 3.835 3.577 ( -3.962 0.723 -0.853) 4.117 3.795 ( 0.455 2.382 -2.716) 3.641 3.835 ( -2.949 -2.644 -3.564) 5.328 3.863 ( -1.346 0.895 -0.564) 1.712 4.004 ( -5.352 2.347 1.820) 6.121 4.123 ( -1.888 2.149 -1.230) 3.114 4.325 ( 1.759 2.445 0.243) 3.022 4.566 ( -1.794 -1.514 -6.088) 6.525 4.746 ( 5.651 1.000 4.502) 7.294 4.866 ( 4.410 -3.956 2.057) 6.271 8.151 ( 14.971 0.340 13.539) 20.187 8.235 ( 1.016 -0.055 0.766) 1.274 8.381 ( 2.476 0.424 -0.243) 2.524 8.588 ( 9.980 -0.271 4.912) 11.127 8.727 ( 3.094 -0.214 12.435) 12.816 9.515 ( 19.590 -0.144 3.297) 19.866 9.540 ( 4.539 -1.129 5.602) 7.298 9.678 ( 30.919 1.879 -3.462) 31.169 10.773 ( 5.337 -0.247 -7.917) 9.552 10.978 ( 13.735 0.572 -0.078) 13.747 11.285 ( 2.572 -1.576 9.440) 9.910 11.454 ( 6.810 -0.614 -7.688) 10.288 11.589 ( 8.402 -0.349 -3.108) 8.965 11.698 ( 6.301 -1.050 5.038) 8.135 11.920 ( 6.854 0.034 -16.010) 17.415 12.058 ( 37.345 -0.127 7.155) 38.025 12.204 ( 5.603 -0.340 -4.114) 6.960 12.280 ( -7.535 -5.519 -1.425) 9.448 12.636 ( 6.678 0.198 -8.902) 11.130 12.762 ( 11.386 -0.584 -9.131) 14.607 14.178 ( -15.233 0.439 4.263) 15.824 14.206 ( 4.775 0.280 16.970) 17.631 14.420 ( -13.739 5.605 -2.274) 15.012 14.620 ( -8.189 2.562 1.271) 8.674 15.341 ( 17.195 15.873 -5.757) 24.099 15.604 ( -8.387 9.261 -10.665) 16.427 16.032 ( -15.252 -0.562 7.365) 16.946 16.109 ( -11.863 2.133 10.228) 15.808 16.487 ( -14.562 -8.513 -5.909) 17.873 16.649 ( -10.488 1.690 -4.747) 11.636 ======================= Grid point 109 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.216 ( 12.313 -5.699 4.733) 14.370 1.386 ( 9.934 -0.420 14.689) 17.738 1.606 ( 2.617 -0.547 -5.600) 6.205 1.732 ( -7.021 -0.043 4.159) 8.160 1.832 ( 0.690 -3.220 4.518) 5.590 2.066 ( 2.514 1.873 -4.569) 5.541 2.173 ( -0.779 2.069 -5.308) 5.750 2.277 ( -1.939 2.280 -4.779) 5.639 2.369 ( -1.781 0.230 0.011) 1.795 2.439 ( 1.684 -1.614 -0.146) 2.337 2.577 ( 5.233 -1.112 0.375) 5.363 2.630 ( 1.786 1.180 0.426) 2.182 2.794 ( -1.727 1.988 3.695) 4.537 3.017 ( 1.270 -0.373 0.954) 1.632 3.041 ( -3.770 -0.520 7.525) 8.432 3.162 ( 1.031 -0.682 -0.072) 1.238 3.247 ( -2.643 0.338 -1.046) 2.862 3.412 ( 1.051 0.295 -0.506) 1.203 3.430 ( -0.121 0.178 -1.389) 1.405 3.468 ( -4.485 2.049 -1.084) 5.048 3.540 ( 1.233 -0.802 1.280) 1.950 3.756 ( -1.453 1.975 1.089) 2.683 3.819 ( -1.021 -1.073 -2.718) 3.095 3.859 ( -0.402 -2.357 -3.743) 4.442 3.908 ( -3.083 1.267 1.824) 3.799 4.072 ( -0.950 2.984 -3.209) 4.484 4.359 ( 2.595 0.822 -1.438) 3.078 4.542 ( -1.637 -0.875 -5.569) 5.871 4.831 ( 4.049 1.096 5.545) 6.953 4.959 ( 2.197 -3.212 2.148) 4.445 8.257 ( 1.714 0.112 0.706) 1.857 8.328 ( 3.239 0.074 1.270) 3.480 8.452 ( 6.089 1.039 16.776) 17.877 8.661 ( -1.428 -0.823 11.988) 12.101 8.879 ( 13.023 -0.221 3.998) 13.624 9.372 ( -10.498 -1.227 0.805) 10.600 10.057 ( 23.463 0.123 2.687) 23.617 10.176 ( 21.760 1.290 -0.799) 21.813 10.896 ( 8.862 0.568 -5.242) 10.312 11.141 ( 5.714 0.547 -3.837) 6.905 11.305 ( -1.542 -1.738 5.085) 5.590 11.456 ( -9.670 -2.397 -5.320) 11.294 11.685 ( 6.213 -0.078 0.210) 6.217 11.797 ( 3.691 -0.088 -0.851) 3.789 11.935 ( -2.195 -0.136 -0.267) 2.215 12.062 ( -9.637 -3.432 -1.514) 10.341 12.550 ( 24.264 0.193 -13.352) 27.695 12.784 ( 12.511 -0.459 -13.828) 18.653 12.899 ( 34.091 0.210 -0.310) 34.093 12.967 ( 9.780 -0.581 -6.581) 11.802 13.827 ( -18.188 0.046 -1.743) 18.272 14.087 ( -16.568 2.374 -4.902) 17.440 14.336 ( 5.139 0.888 16.271) 17.087 14.439 ( -7.424 1.811 8.667) 11.554 15.356 ( -11.203 4.127 3.264) 12.377 15.482 ( 1.921 5.669 -3.825) 7.103 15.772 ( -2.607 4.388 9.641) 10.909 16.011 ( -0.086 0.713 1.420) 1.591 16.286 ( -12.011 -3.854 -5.951) 13.947 16.432 ( -11.321 0.400 -5.816) 12.734 ======================= Grid point 110 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.466 ( -0.000 0.000 2.004) 2.004 1.480 ( 0.000 -0.000 2.389) 2.389 1.548 ( 0.000 -0.000 11.472) 11.472 1.604 ( 0.000 -0.000 8.016) 8.016 1.967 ( 0.000 -0.000 -2.473) 2.473 1.991 ( -0.000 0.000 -6.555) 6.555 2.192 ( 0.000 -0.000 -4.787) 4.787 2.216 ( 0.000 -0.000 -8.301) 8.301 2.340 ( 0.000 -0.000 2.965) 2.965 2.462 ( 0.000 -0.000 -0.612) 0.612 2.627 ( 0.000 -0.000 0.933) 0.933 2.644 ( 0.000 0.000 0.218) 0.218 2.824 ( -0.000 -0.000 5.840) 5.840 2.896 ( 0.000 -0.000 9.865) 9.865 3.149 ( -0.000 0.000 -1.469) 1.469 3.175 ( 0.000 -0.000 0.535) 0.535 3.218 ( 0.000 -0.000 -1.338) 1.338 3.330 ( 0.000 -0.000 -2.419) 2.419 3.427 ( 0.000 -0.000 0.472) 0.472 3.465 ( 0.000 -0.000 -0.400) 0.400 3.556 ( 0.000 -0.000 0.748) 0.748 3.734 ( 0.000 -0.000 1.995) 1.995 3.813 ( 0.000 -0.000 -1.526) 1.526 3.856 ( 0.000 -0.000 -0.428) 0.428 3.885 ( 0.000 -0.000 -2.540) 2.540 4.049 ( 0.000 0.000 -3.760) 3.760 4.383 ( 0.000 -0.000 -2.569) 2.569 4.529 ( 0.000 -0.000 -5.281) 5.281 4.865 ( 0.000 -0.000 5.957) 5.957 4.993 ( 0.000 -0.000 2.242) 2.242 8.277 ( 0.000 -0.000 0.599) 0.599 8.344 ( 0.000 -0.000 -1.117) 1.117 8.532 ( 0.000 -0.000 17.553) 17.553 8.618 ( 0.000 -0.000 17.708) 17.708 9.134 ( -0.000 -0.000 -0.073) 0.073 9.160 ( 0.000 -0.000 0.380) 0.380 10.312 ( 0.000 -0.000 2.570) 2.570 10.357 ( 0.000 -0.000 2.140) 2.140 11.085 ( 0.000 -0.000 -6.040) 6.040 11.154 ( 0.000 -0.000 -8.658) 8.658 11.286 ( 0.000 -0.000 0.182) 0.182 11.290 ( -0.000 -0.000 0.731) 0.731 11.791 ( -0.000 -0.000 -2.102) 2.102 11.793 ( 0.000 -0.000 -2.596) 2.596 11.927 ( 0.000 0.000 2.074) 2.074 11.971 ( -0.000 -0.000 0.869) 0.869 12.890 ( 0.000 0.000 -18.772) 18.772 12.906 ( -0.000 -0.000 -17.823) 17.823 13.115 ( 0.000 -0.000 2.858) 2.858 13.123 ( -0.000 0.000 2.945) 2.945 13.765 ( -0.000 0.000 -11.019) 11.019 13.794 ( 0.000 -0.000 -11.100) 11.100 14.361 ( 0.000 -0.000 15.377) 15.377 14.379 ( 0.000 -0.000 15.344) 15.344 15.211 ( 0.000 0.000 10.280) 10.280 15.392 ( 0.000 -0.000 9.940) 9.940 15.836 ( 0.000 0.000 -1.551) 1.551 16.000 ( 0.000 -0.000 -0.872) 0.872 16.188 ( 0.000 -0.000 -4.360) 4.360 16.291 ( 0.000 -0.000 -7.689) 7.689 ======================= Grid point 117 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.610 ( 12.184 0.000 11.321) 16.632 0.931 ( 12.360 0.000 23.141) 26.235 1.225 ( 7.947 0.000 -5.631) 9.740 1.593 ( 28.032 0.000 9.363) 29.554 1.657 ( 13.055 0.000 -8.259) 15.448 1.783 ( 4.199 0.000 9.311) 10.214 2.137 ( 6.668 0.000 6.598) 9.380 2.268 ( -0.313 -0.000 -2.682) 2.701 2.309 ( -1.175 -0.000 -2.303) 2.585 2.338 ( 0.216 0.000 2.307) 2.317 2.469 ( -3.215 -0.000 -3.832) 5.002 2.810 ( -3.819 -0.000 -13.096) 13.641 2.960 ( -1.857 -0.000 0.099) 1.859 3.064 ( -4.755 -0.000 -0.131) 4.757 3.131 ( -0.501 -0.000 1.457) 1.541 3.181 ( 0.718 0.000 -1.344) 1.524 3.255 ( 5.592 0.000 -3.313) 6.500 3.370 ( -1.736 -0.000 -1.095) 2.053 3.433 ( 3.740 0.000 4.997) 6.242 3.566 ( -8.892 -0.000 0.232) 8.895 3.631 ( -3.463 -0.000 -0.785) 3.550 3.802 ( -1.218 -0.000 -3.187) 3.412 3.871 ( -0.147 -0.000 -0.112) 0.185 3.916 ( -2.230 -0.000 -1.456) 2.664 4.168 ( -7.599 -0.000 1.509) 7.748 4.179 ( -2.132 -0.000 2.423) 3.227 4.369 ( -1.298 -0.000 0.280) 1.328 4.564 ( 0.295 0.000 -5.266) 5.274 4.659 ( 4.552 0.000 2.656) 5.271 4.718 ( 4.716 0.000 2.357) 5.272 7.849 ( 16.174 0.000 14.406) 21.660 8.238 ( -1.450 -0.000 0.282) 1.477 8.289 ( 20.551 0.000 2.033) 20.651 8.356 ( 1.355 0.000 -3.862) 4.092 8.722 ( -0.157 -0.000 15.371) 15.372 8.924 ( 28.542 0.000 3.357) 28.739 9.154 ( 27.910 0.000 -4.961) 28.348 9.689 ( -9.680 -0.000 11.980) 15.402 10.533 ( 38.504 0.000 -0.524) 38.507 10.679 ( 5.438 0.000 -13.806) 14.839 11.109 ( 23.643 0.000 1.173) 23.672 11.204 ( 4.906 0.000 1.450) 5.115 11.372 ( 5.408 0.000 -3.447) 6.413 11.522 ( 10.884 0.000 0.639) 10.903 11.732 ( 4.201 0.000 7.731) 8.798 11.779 ( 3.454 0.000 -9.697) 10.294 12.197 ( -1.927 -0.000 4.252) 4.669 12.378 ( -8.229 -0.000 -5.313) 9.796 12.562 ( 9.222 0.000 -11.821) 14.992 12.571 ( 0.224 0.000 -4.971) 4.976 14.079 ( 6.393 0.000 17.590) 18.716 14.463 ( -12.155 -0.000 3.627) 12.685 14.732 ( -0.046 -0.000 -2.658) 2.659 14.753 ( -12.580 -0.000 -3.369) 13.024 15.592 ( -5.719 -0.000 -3.063) 6.488 15.852 ( 1.205 0.000 -14.076) 14.128 16.240 ( -8.422 -0.000 5.741) 10.193 16.424 ( -16.147 -0.000 2.472) 16.336 16.504 ( -10.862 -0.000 1.699) 10.994 16.839 ( -7.266 -0.000 -3.805) 8.202 ======================= Grid point 118 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.862 ( 13.513 -2.588 8.607) 16.229 1.163 ( 12.205 -0.706 20.496) 23.866 1.394 ( 9.358 -1.740 -5.660) 11.074 1.801 ( 2.692 -0.036 4.213) 4.999 1.804 ( 1.487 -0.012 -2.931) 3.287 2.033 ( 11.823 1.296 4.248) 12.630 2.173 ( -1.145 -1.094 -3.172) 3.546 2.285 ( 3.454 0.797 -0.015) 3.545 2.364 ( 4.143 -0.085 1.048) 4.275 2.366 ( 2.582 -0.250 1.005) 2.782 2.441 ( 2.173 -0.754 -1.875) 2.968 2.712 ( -4.827 1.841 -6.514) 8.314 2.950 ( -5.419 1.504 -1.048) 5.721 2.951 ( 0.027 -0.281 -0.544) 0.613 3.129 ( -0.225 0.438 1.247) 1.341 3.154 ( -4.224 -1.743 3.647) 5.846 3.324 ( -3.415 0.448 1.680) 3.832 3.353 ( 4.485 -0.433 -2.471) 5.139 3.433 ( -3.390 0.259 -1.483) 3.709 3.491 ( 2.352 -0.310 3.089) 3.894 3.587 ( -2.033 0.425 -0.779) 2.218 3.775 ( -2.763 -1.661 -5.270) 6.178 3.840 ( -2.443 0.759 -0.827) 2.688 3.873 ( -2.182 0.300 -1.232) 2.524 4.031 ( -6.332 0.871 2.284) 6.787 4.151 ( -0.848 1.061 -0.817) 1.585 4.361 ( 1.119 1.287 -0.506) 1.778 4.545 ( -1.814 -0.734 -5.705) 6.031 4.762 ( 6.477 0.824 3.382) 7.353 4.814 ( 4.185 -2.013 2.998) 5.528 8.155 ( 15.499 0.163 13.422) 20.503 8.234 ( 0.870 -0.047 0.652) 1.088 8.386 ( 2.281 0.149 0.193) 2.294 8.585 ( 9.776 -0.090 5.141) 11.046 8.724 ( 2.906 -0.081 12.582) 12.913 9.515 ( 1.793 0.097 5.859) 6.128 9.525 ( 22.366 -0.567 3.518) 22.649 9.703 ( 30.645 0.874 -4.084) 30.928 10.771 ( 5.565 -0.088 -6.852) 8.828 10.985 ( 13.720 0.235 -0.033) 13.722 11.266 ( 1.607 -0.632 10.261) 10.405 11.446 ( 6.097 -0.257 -8.527) 10.485 11.585 ( 8.251 -0.121 -3.047) 8.796 11.686 ( 6.995 -0.406 4.263) 8.202 11.920 ( 6.665 0.028 -15.648) 17.008 12.056 ( 35.584 -0.085 6.573) 36.186 12.194 ( -3.619 -0.957 -1.352) 3.980 12.221 ( 5.642 -1.259 -3.744) 6.887 12.638 ( 6.594 0.078 -8.555) 10.802 12.755 ( 11.319 -0.228 -9.246) 14.617 14.184 ( -17.472 0.194 3.096) 17.745 14.209 ( 6.586 0.049 18.150) 19.308 14.476 ( -16.144 1.502 -4.390) 16.797 14.653 ( -8.229 1.085 2.382) 8.635 15.525 ( 3.208 5.452 -6.586) 9.131 15.734 ( -11.989 4.631 -6.539) 14.421 16.064 ( -15.119 3.747 8.151) 17.580 16.147 ( -4.852 2.813 2.943) 6.334 16.336 ( -12.124 -8.486 -3.531) 15.214 16.673 ( -10.368 0.843 -4.859) 11.481 ======================= Grid point 119 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.139 ( 13.691 -3.349 6.062) 15.343 1.381 ( 10.917 -0.207 15.945) 19.325 1.579 ( 7.492 -2.012 -6.264) 9.971 1.731 ( -7.728 -0.123 2.981) 8.285 1.805 ( -2.061 -0.367 5.333) 5.729 2.102 ( 2.269 2.121 -3.233) 4.483 2.179 ( -0.019 -0.567 -7.329) 7.351 2.316 ( -0.601 1.337 -1.400) 2.027 2.375 ( -2.032 0.798 -2.321) 3.186 2.417 ( 1.379 -1.119 0.034) 1.777 2.555 ( 5.427 -0.961 -0.357) 5.523 2.657 ( 1.005 1.526 2.600) 3.178 2.826 ( -3.564 1.703 1.822) 4.350 3.013 ( -3.592 -0.301 4.104) 5.462 3.039 ( 2.296 0.265 4.078) 4.687 3.153 ( 1.254 -0.441 0.306) 1.364 3.256 ( -2.835 0.572 -0.941) 3.041 3.416 ( 0.927 0.167 -0.392) 1.020 3.427 ( 2.087 -0.311 -1.430) 2.549 3.512 ( -4.256 2.576 -1.299) 5.142 3.531 ( 0.793 0.344 1.288) 1.551 3.717 ( -5.709 -5.315 -3.274) 8.459 3.812 ( 0.147 0.463 -2.046) 2.103 3.839 ( -1.348 -0.512 -0.652) 1.582 3.928 ( -4.090 0.832 2.509) 4.870 4.121 ( -0.859 2.443 -3.292) 4.189 4.384 ( 2.457 1.817 -1.797) 3.545 4.521 ( -1.708 -1.465 -5.708) 6.135 4.847 ( 2.798 0.694 4.795) 5.595 4.915 ( 4.964 -1.913 2.783) 6.004 8.261 ( 1.943 0.241 0.637) 2.059 8.327 ( 2.386 -0.183 0.560) 2.458 8.468 ( 6.998 0.812 17.929) 19.264 8.648 ( -2.006 -0.674 12.104) 12.288 8.876 ( 13.381 -0.136 3.886) 13.935 9.355 ( -10.136 -0.751 1.089) 10.222 10.060 ( 23.822 0.126 2.947) 24.004 10.196 ( 20.588 0.974 -0.863) 20.629 10.905 ( 10.218 0.482 -4.603) 11.218 11.150 ( 5.571 0.423 -4.087) 6.922 11.281 ( -0.647 -1.088 4.702) 4.869 11.419 ( -10.620 -1.775 -5.178) 11.948 11.684 ( 6.381 -0.033 0.147) 6.382 11.796 ( 4.354 0.022 -1.202) 4.517 11.933 ( -1.977 -0.068 -0.212) 1.990 12.015 ( -7.070 -2.013 -0.968) 7.414 12.553 ( 24.143 0.130 -13.456) 27.640 12.777 ( 12.690 -0.306 -13.503) 18.533 12.903 ( 33.955 0.208 -0.716) 33.963 12.958 ( 9.718 -0.477 -7.002) 11.987 13.828 ( -18.351 0.076 -1.459) 18.409 14.117 ( -17.531 1.208 -4.476) 18.134 14.349 ( 4.195 0.632 15.302) 15.879 14.466 ( -8.642 1.286 9.878) 13.188 15.410 ( -16.227 2.149 3.801) 16.804 15.528 ( -6.662 0.934 0.313) 6.734 15.842 ( 0.305 2.870 7.160) 7.720 16.022 ( -9.954 -0.080 -0.295) 9.958 16.245 ( -0.486 -0.027 -7.861) 7.876 16.455 ( -11.455 1.544 -5.661) 12.871 ======================= Grid point 120 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.408 ( 11.758 -3.366 3.357) 12.683 1.535 ( -2.527 2.535 3.381) 4.923 1.549 ( -6.763 0.342 9.403) 11.587 1.608 ( 0.993 0.428 6.948) 7.032 1.882 ( 7.733 -4.776 -0.972) 9.141 2.068 ( -6.121 4.151 -8.599) 11.342 2.195 ( 3.068 -0.760 -7.708) 8.331 2.233 ( -5.480 2.909 -4.578) 7.711 2.334 ( -0.407 -0.816 2.372) 2.541 2.456 ( 1.438 -0.709 -0.338) 1.638 2.610 ( 0.177 -0.855 0.463) 0.988 2.663 ( -0.051 1.019 2.018) 2.261 2.829 ( -1.348 0.711 6.218) 6.402 2.889 ( 0.165 -0.816 9.372) 9.409 3.167 ( 2.403 1.697 -1.302) 3.217 3.181 ( 3.288 0.653 0.373) 3.373 3.220 ( 0.283 0.248 -1.617) 1.661 3.343 ( -6.107 1.693 -2.782) 6.921 3.426 ( -0.010 -0.112 0.487) 0.500 3.466 ( 0.048 0.165 -0.276) 0.325 3.552 ( 0.646 -0.388 0.540) 0.927 3.682 ( -3.084 -5.448 0.178) 6.263 3.814 ( 0.136 -0.077 -0.602) 0.622 3.839 ( -0.331 -1.829 -1.792) 2.582 3.878 ( -0.339 -0.235 0.895) 0.985 4.081 ( -0.981 2.848 -4.430) 5.357 4.400 ( 0.365 1.866 -2.947) 3.507 4.515 ( 0.062 -1.519 -5.170) 5.389 4.859 ( -1.224 -0.548 6.523) 6.660 5.001 ( 3.379 0.792 1.786) 3.903 8.282 ( 0.132 0.648 0.435) 0.791 8.337 ( -0.168 -0.808 -0.977) 1.279 8.536 ( -3.191 0.437 17.563) 17.856 8.614 ( 2.733 -0.431 17.750) 17.964 9.134 ( -8.145 -0.019 0.204) 8.147 9.161 ( 9.679 0.050 0.097) 9.679 10.317 ( -0.830 0.562 2.528) 2.720 10.353 ( -0.340 -0.443 2.161) 2.232 11.082 ( -9.678 -0.274 -6.280) 11.541 11.158 ( 5.978 0.381 -8.441) 10.350 11.287 ( 2.651 0.100 0.289) 2.668 11.290 ( 4.525 0.081 0.723) 4.583 11.791 ( 3.595 0.001 -2.324) 4.280 11.794 ( -3.734 0.093 -2.363) 4.420 11.927 ( -1.230 -0.021 2.055) 2.395 11.973 ( 4.339 0.165 0.852) 4.425 12.889 ( -2.683 -0.111 -18.396) 18.591 12.906 ( 3.384 -0.008 -18.283) 18.594 13.113 ( 7.802 -0.192 2.714) 8.262 13.124 ( -7.706 0.070 3.225) 8.354 13.763 ( 8.855 -0.182 -11.430) 14.460 13.798 ( -11.013 0.384 -10.645) 15.322 14.361 ( -1.578 0.073 14.852) 14.936 14.380 ( -0.849 0.099 15.562) 15.586 15.202 ( -3.072 -0.942 9.681) 10.200 15.393 ( -2.264 -0.064 9.433) 9.701 15.762 ( -14.737 -6.237 0.966) 16.031 16.016 ( 10.226 0.661 -1.084) 10.305 16.196 ( -7.115 0.775 -4.518) 8.464 16.348 ( 6.754 5.600 -8.562) 12.259 ======================= Grid point 121 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.315 ( -10.686 5.497 4.507) 12.834 1.398 ( -8.329 1.336 11.572) 14.320 1.594 ( 2.985 -1.594 -2.471) 4.190 1.731 ( 6.255 -0.449 5.548) 8.374 1.901 ( -4.686 4.328 -0.652) 6.412 2.039 ( 1.753 -1.783 -4.010) 4.726 2.122 ( -2.508 -2.256 -1.858) 3.851 2.255 ( 1.710 -0.955 -10.179) 10.366 2.361 ( 1.910 -0.690 1.771) 2.694 2.469 ( 0.065 1.766 -0.072) 1.768 2.572 ( -5.716 -1.060 2.560) 6.352 2.638 ( -1.881 1.431 -0.614) 2.442 2.763 ( -0.260 -1.650 5.202) 5.464 3.030 ( 5.261 0.822 4.310) 6.850 3.057 ( -2.310 1.856 3.219) 4.376 3.174 ( -1.640 0.735 -0.373) 1.836 3.248 ( 2.965 0.377 -1.145) 3.201 3.404 ( 2.085 -0.903 -1.162) 2.552 3.418 ( 2.637 -0.881 -0.666) 2.859 3.450 ( -0.621 -0.258 -0.853) 1.086 3.552 ( -0.724 0.515 1.150) 1.453 3.688 ( -1.388 -5.593 0.569) 5.790 3.817 ( -0.304 -0.853 -0.082) 0.910 3.862 ( 1.933 -1.928 -0.249) 2.741 3.910 ( 2.403 0.041 -2.473) 3.449 4.047 ( -0.659 0.620 -3.979) 4.081 4.364 ( -2.489 1.362 -1.868) 3.397 4.546 ( 2.093 -0.390 -5.186) 5.606 4.814 ( -4.229 -0.889 7.131) 8.338 5.014 ( -0.390 3.152 0.927) 3.308 8.258 ( -1.770 0.219 0.632) 1.892 8.324 ( -3.710 -0.442 1.953) 4.216 8.435 ( -5.569 -0.910 15.863) 16.837 8.673 ( 1.196 0.609 11.768) 11.844 8.883 ( -12.634 0.226 4.111) 13.287 9.393 ( 10.971 1.244 0.511) 11.053 10.056 ( -23.167 -0.019 2.477) 23.299 10.156 ( -22.703 -0.997 -0.830) 22.740 10.888 ( -7.642 -0.410 -6.249) 9.880 11.133 ( -5.958 -0.463 -3.697) 7.027 11.335 ( 2.709 1.795 5.722) 6.580 11.493 ( 8.506 2.030 -5.261) 10.205 11.687 ( -6.034 0.114 0.290) 6.042 11.799 ( -2.971 0.176 -0.384) 3.001 11.938 ( 2.386 0.155 -0.274) 2.406 12.124 ( 13.075 3.756 -2.265) 13.791 12.547 ( -24.420 -0.193 -13.275) 27.795 12.791 ( -12.198 0.411 -14.253) 18.764 12.897 ( -34.690 -0.077 0.367) 34.693 12.975 ( -9.322 0.369 -6.073) 11.131 13.828 ( 17.925 0.120 -2.021) 18.039 14.040 ( 13.741 -3.148 -4.788) 14.888 14.322 ( -5.752 -0.698 16.778) 17.750 14.412 ( 6.299 -1.324 6.638) 9.246 15.276 ( 1.989 -6.081 0.596) 6.426 15.336 ( -12.129 -9.788 -3.936) 16.075 15.734 ( 13.685 -0.281 13.827) 19.456 16.012 ( -3.098 0.695 1.513) 3.517 16.307 ( 13.385 -1.473 -4.169) 14.096 16.482 ( 11.757 5.916 -7.333) 15.066 ======================= Grid point 122 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.075 ( -8.967 8.304 5.566) 13.430 1.227 ( -8.402 3.203 16.255) 18.576 1.514 ( -7.400 3.757 -8.550) 11.915 1.791 ( -2.094 -1.175 0.233) 2.412 1.838 ( -2.215 2.862 7.299) 8.146 1.953 ( -9.785 -2.610 0.250) 10.130 2.182 ( 2.318 -2.275 -3.964) 5.125 2.273 ( -1.629 0.367 -4.925) 5.200 2.364 ( -7.533 0.567 2.267) 7.887 2.382 ( 0.148 0.626 1.591) 1.716 2.493 ( -2.554 1.652 -2.118) 3.707 2.613 ( 1.463 -1.995 -4.550) 5.179 2.845 ( 5.161 -3.460 2.689) 6.771 2.978 ( 1.355 1.052 -0.817) 1.900 3.131 ( -0.492 0.453 0.525) 0.850 3.231 ( 7.648 2.038 5.587) 9.688 3.298 ( 2.450 -0.505 -0.369) 2.529 3.372 ( -2.945 -0.085 -1.611) 3.358 3.420 ( 1.710 -0.082 -0.925) 1.945 3.514 ( -1.870 0.901 2.743) 3.440 3.564 ( 5.526 -0.834 -0.989) 5.676 3.722 ( -0.082 -5.598 -0.534) 5.624 3.829 ( 0.370 -2.472 0.013) 2.500 3.898 ( 0.227 2.779 -5.165) 5.870 3.962 ( 4.012 -1.996 1.392) 4.693 4.077 ( 2.651 -3.528 -2.394) 5.021 4.303 ( -2.773 0.272 1.043) 2.975 4.589 ( 2.593 1.134 -6.141) 6.762 4.730 ( -5.197 -0.909 6.072) 8.044 4.937 ( -4.313 4.305 0.724) 6.137 8.146 ( -14.331 -0.267 13.860) 19.939 8.235 ( -1.133 -0.038 0.731) 1.349 8.373 ( -2.697 -0.618 -0.889) 2.907 8.593 ( -10.325 0.389 4.581) 11.302 8.731 ( -3.276 0.265 12.247) 12.680 9.519 ( -27.375 0.338 2.129) 27.459 9.560 ( 3.178 1.309 6.076) 6.981 9.648 ( -31.085 -1.661 -2.484) 31.228 10.778 ( -4.905 0.346 -9.791) 10.957 10.967 ( -13.802 -0.678 -0.195) 13.820 11.314 ( -4.286 1.776 8.099) 9.334 11.465 ( -7.621 0.708 -6.610) 10.113 11.596 ( -8.487 0.505 -3.332) 9.132 11.719 ( -5.363 1.354 6.691) 8.681 11.920 ( -6.759 0.050 -16.390) 17.729 12.060 ( -38.541 0.073 7.618) 39.286 12.210 ( -6.445 0.344 -3.701) 7.440 12.389 ( 12.587 7.195 -1.992) 14.635 12.632 ( -6.743 -0.227 -9.490) 11.644 12.773 ( -11.424 0.686 -8.872) 14.481 14.167 ( 13.947 -1.325 3.535) 14.449 14.197 ( -6.175 -1.046 16.856) 17.982 14.283 ( 5.308 -10.036 3.343) 11.836 14.579 ( 8.764 -2.055 -1.752) 9.171 15.065 ( -20.302 -15.365 -5.475) 26.043 15.456 ( 5.740 -8.247 -12.434) 15.987 16.054 ( 11.850 0.602 9.232) 15.033 16.083 ( 16.683 0.137 10.332) 19.623 16.566 ( 13.093 -0.790 -4.785) 13.962 16.666 ( 13.233 5.576 -6.194) 15.639 ======================= Grid point 123 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.852 ( -6.442 11.318 7.102) 14.833 1.029 ( -9.420 5.510 18.973) 21.888 1.343 ( -6.119 5.831 -7.687) 11.425 1.599 ( -23.569 0.200 2.799) 23.736 1.656 ( -15.001 -0.291 -2.162) 15.159 1.794 ( -2.484 1.564 9.831) 10.259 2.139 ( -9.116 -0.836 5.651) 10.758 2.248 ( 1.127 -0.324 -4.917) 5.055 2.309 ( 0.816 -0.008 -2.207) 2.353 2.382 ( 1.161 1.591 1.769) 2.647 2.481 ( 2.097 0.859 -3.927) 4.534 2.691 ( 3.018 -3.915 -10.155) 11.294 2.955 ( 2.698 -3.024 1.858) 4.458 3.037 ( 4.710 0.393 0.362) 4.741 3.116 ( -1.240 -0.121 -1.256) 1.769 3.274 ( -4.512 0.842 -3.438) 5.734 3.291 ( 2.546 3.536 0.392) 4.375 3.348 ( 0.335 -1.013 -0.573) 1.211 3.455 ( -2.781 1.292 4.954) 5.826 3.558 ( 10.057 -0.697 2.107) 10.299 3.645 ( 3.120 0.839 -1.209) 3.450 3.766 ( 0.658 -3.078 -1.454) 3.467 3.864 ( -1.136 0.901 -1.836) 2.340 3.875 ( 1.924 -3.132 -0.176) 3.680 4.075 ( 4.971 -4.073 1.173) 6.533 4.170 ( 4.581 -0.798 -0.049) 4.651 4.291 ( 0.994 -3.797 0.602) 3.970 4.595 ( -1.691 1.686 -4.933) 5.481 4.663 ( -2.125 0.637 1.376) 2.611 4.811 ( -3.740 4.247 1.334) 5.814 7.852 ( -15.890 0.195 14.347) 21.409 8.237 ( 1.315 -0.104 -0.075) 1.322 8.288 ( -20.756 -0.000 1.688) 20.824 8.340 ( -1.648 -0.814 -4.330) 4.703 8.723 ( -0.258 0.096 15.193) 15.196 8.925 ( -28.365 0.103 3.273) 28.554 9.107 ( -27.950 -2.029 -3.934) 28.298 9.710 ( 9.282 1.212 12.431) 15.561 10.519 ( -38.020 -0.655 -0.591) 38.030 10.676 ( -8.049 -0.058 -15.105) 17.116 11.112 ( -23.449 0.209 0.638) 23.458 11.163 ( -10.408 -1.602 -0.795) 10.561 11.379 ( -5.632 0.262 -3.170) 6.469 11.533 ( -12.751 0.279 -3.656) 13.268 11.735 ( -4.333 0.096 7.385) 8.563 11.832 ( 1.022 3.083 -2.772) 4.270 12.207 ( 2.637 0.786 4.698) 5.444 12.476 ( 0.129 3.058 -4.858) 5.742 12.568 ( -8.866 0.490 -10.775) 13.962 12.614 ( 4.063 3.846 -5.329) 7.727 14.068 ( -6.557 -0.773 18.285) 19.441 14.286 ( -17.069 -30.092 12.925) 36.932 14.470 ( 10.142 -2.093 5.446) 11.701 14.727 ( 3.593 -1.255 -4.476) 5.875 14.890 ( -6.679 -6.689 -4.440) 10.443 15.672 ( 8.787 -11.227 -20.819) 25.233 16.263 ( 10.882 -0.362 11.386) 15.753 16.403 ( 15.829 -0.088 7.028) 17.319 16.783 ( 8.868 -1.571 -4.605) 10.115 16.876 ( 16.247 8.945 -7.572) 20.033 ======================= Grid point 124 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.644 ( -5.422 13.690 8.390) 16.947 0.759 ( -16.778 5.699 14.377) 22.818 1.093 ( -20.617 6.374 18.319) 28.307 1.209 ( -3.586 5.793 -3.816) 7.809 1.391 ( -13.613 0.269 -11.352) 17.727 1.751 ( -0.963 1.066 11.519) 11.608 1.977 ( -8.368 -1.718 11.659) 14.453 2.247 ( -0.530 -0.485 -4.580) 4.636 2.350 ( 2.280 -0.106 -1.999) 3.034 2.410 ( 3.157 1.515 0.642) 3.560 2.510 ( 0.789 0.095 -5.289) 5.348 2.769 ( 1.625 -4.231 -11.350) 12.222 2.981 ( -2.561 -2.921 1.138) 4.048 3.075 ( -1.743 2.099 -1.561) 3.143 3.121 ( 3.049 -2.249 1.290) 4.002 3.175 ( -4.449 1.565 -3.398) 5.813 3.286 ( 1.014 5.440 -0.985) 5.620 3.371 ( 0.018 -0.297 1.157) 1.195 3.398 ( -1.150 0.746 2.741) 3.065 3.669 ( 1.683 0.955 -2.529) 3.185 3.746 ( 7.199 -1.738 0.963) 7.468 3.797 ( 1.019 -1.091 0.127) 1.498 3.841 ( -1.397 -0.290 1.128) 1.818 3.950 ( 3.924 -1.533 -1.275) 4.402 4.189 ( 3.259 -3.398 1.327) 4.892 4.252 ( 3.675 -1.729 3.487) 5.353 4.413 ( 6.838 -5.790 -4.337) 9.954 4.500 ( -6.593 1.256 -3.133) 7.407 4.611 ( -1.834 0.269 2.283) 2.941 4.790 ( 6.248 8.586 -4.697) 11.611 7.603 ( -9.996 0.225 13.615) 16.892 7.919 ( -16.712 -0.185 1.352) 16.768 8.287 ( 1.424 -0.378 -1.217) 1.911 8.305 ( -3.368 -0.065 -2.881) 4.432 8.453 ( -12.084 -0.605 -1.045) 12.144 8.672 ( -19.493 -1.891 -2.303) 19.720 8.828 ( 3.897 0.455 18.739) 19.146 9.775 ( -34.052 -0.299 1.739) 34.097 9.855 ( 4.132 0.905 10.774) 11.575 10.398 ( -24.731 -5.346 -24.800) 35.429 10.825 ( -9.517 0.140 3.586) 10.171 11.069 ( -0.727 -3.256 -4.853) 5.889 11.311 ( -2.206 0.155 -2.505) 3.342 11.315 ( -10.313 -0.647 -6.614) 12.268 11.686 ( -1.608 -0.019 4.959) 5.213 11.885 ( 8.071 3.942 14.059) 16.684 12.226 ( -1.114 1.196 5.613) 5.846 12.427 ( -5.468 0.132 -15.140) 16.098 12.448 ( -0.801 0.353 -3.369) 3.481 12.610 ( -4.012 -1.432 3.789) 5.701 13.978 ( -3.982 -2.153 18.007) 18.567 14.177 ( -25.707 -44.655 34.141) 61.811 14.631 ( 5.639 -0.865 4.391) 7.199 14.703 ( -3.338 -0.645 -5.066) 6.101 14.935 ( 3.944 -0.900 -4.275) 5.885 15.923 ( 7.301 -10.286 -20.065) 23.701 16.418 ( 6.086 1.558 9.025) 10.996 16.656 ( 9.489 -3.773 4.830) 11.297 16.913 ( 4.102 -1.319 -3.806) 5.749 17.097 ( 16.679 13.494 -14.090) 25.667 ======================= Grid point 125 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.371 ( -0.000 5.654 14.345) 15.419 0.495 ( -0.000 15.687 11.309) 19.339 0.860 ( -0.000 6.801 33.175) 33.865 1.132 ( -0.000 5.056 -3.037) 5.898 1.240 ( 0.000 -0.016 -15.229) 15.229 1.737 ( -0.000 0.523 12.208) 12.220 1.907 ( 0.000 -1.809 14.398) 14.511 2.248 ( 0.000 -0.776 -4.527) 4.593 2.386 ( 0.000 -1.360 -3.771) 4.009 2.463 ( 0.000 -1.511 2.126) 2.608 2.498 ( -0.000 0.668 -4.277) 4.329 2.820 ( 0.000 -4.414 -10.901) 11.760 2.938 ( 0.000 -1.433 0.704) 1.597 3.042 ( -0.000 3.406 0.992) 3.548 3.112 ( -0.000 1.268 -4.933) 5.094 3.175 ( 0.000 -2.552 1.256) 2.844 3.240 ( -0.000 8.099 -1.729) 8.282 3.342 ( -0.000 1.562 6.356) 6.545 3.407 ( 0.000 -0.656 -2.893) 2.966 3.683 ( -0.000 0.080 -3.481) 3.482 3.817 ( 0.000 -1.998 1.395) 2.437 3.822 ( 0.000 -0.152 1.903) 1.909 3.838 ( 0.000 -1.814 -0.201) 1.825 4.007 ( -0.000 0.008 -2.664) 2.664 4.248 ( 0.000 -3.947 3.219) 5.093 4.317 ( 0.000 -4.555 3.165) 5.546 4.415 ( -0.000 0.456 -0.293) 0.542 4.546 ( 0.000 -4.248 -6.102) 7.435 4.602 ( 0.000 -0.113 0.768) 0.777 4.799 ( -0.000 14.762 -13.209) 19.809 7.506 ( -0.000 0.162 13.026) 13.027 7.752 ( 0.000 -0.023 1.050) 1.050 8.184 ( -0.000 0.073 0.466) 0.471 8.389 ( 0.000 -1.011 -1.316) 1.659 8.402 ( 0.000 -0.678 -4.830) 4.877 8.433 ( -0.000 0.165 0.543) 0.567 8.886 ( -0.000 0.451 19.753) 19.759 9.409 ( 0.000 -0.016 1.230) 1.230 9.847 ( -0.000 0.026 -9.146) 9.146 10.133 ( 0.000 -6.285 -5.178) 8.143 10.736 ( -0.000 0.091 3.324) 3.326 11.151 ( 0.000 -4.562 1.058) 4.683 11.178 ( 0.000 -0.172 -9.849) 9.851 11.291 ( -0.000 0.126 -1.589) 1.594 11.672 ( 0.000 -0.073 4.642) 4.642 12.081 ( 0.000 -0.063 7.652) 7.652 12.082 ( -0.000 1.870 16.132) 16.240 12.374 ( -0.000 0.043 -16.899) 16.899 12.443 ( -0.000 0.025 -2.948) 2.948 12.590 ( 0.000 -9.083 10.833) 14.137 13.960 ( 0.000 -0.025 15.950) 15.950 14.296 ( 0.000 -66.106 64.599) 92.429 14.672 ( 0.000 -0.073 -5.430) 5.431 14.689 ( 0.000 -1.077 4.730) 4.851 14.981 ( 0.000 -0.442 -3.984) 4.008 16.067 ( 0.000 -5.833 -16.446) 17.450 16.459 ( -0.000 1.790 7.109) 7.331 16.787 ( 0.000 -4.850 2.775) 5.588 16.958 ( 0.000 -0.086 -4.192) 4.193 17.156 ( -0.000 20.739 -23.584) 31.406 ======================= Grid point 128 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.111 ( 14.192 0.000 6.572) 15.640 1.379 ( 11.239 0.000 16.347) 19.838 1.560 ( 8.728 0.000 -5.791) 10.474 1.730 ( -8.102 -0.000 2.692) 8.537 1.804 ( -2.232 -0.000 4.636) 5.145 2.123 ( 1.749 0.000 -2.752) 3.261 2.172 ( 0.648 0.000 -6.682) 6.713 2.322 ( -0.253 -0.000 -2.280) 2.294 2.391 ( -2.649 -0.000 -3.090) 4.070 2.401 ( 1.836 0.000 0.607) 1.933 2.548 ( 5.875 0.000 0.123) 5.876 2.671 ( 0.420 0.000 3.507) 3.532 2.842 ( -4.429 -0.000 0.777) 4.496 3.009 ( -5.875 -0.000 5.781) 8.243 3.043 ( 5.139 0.000 2.132) 5.564 3.149 ( 1.493 0.000 0.500) 1.574 3.262 ( -2.972 -0.000 -0.921) 3.111 3.417 ( 0.388 0.000 -0.230) 0.450 3.424 ( 2.923 0.000 -1.638) 3.350 3.520 ( 0.707 0.000 0.750) 1.031 3.566 ( -0.934 -0.000 0.131) 0.943 3.651 ( -8.873 -0.000 -5.146) 10.258 3.816 ( -0.585 -0.000 -1.103) 1.249 3.835 ( -1.902 -0.000 -0.817) 2.070 3.935 ( -4.391 -0.000 2.784) 5.199 4.143 ( -0.786 -0.000 -3.341) 3.432 4.403 ( 2.646 0.000 -1.986) 3.308 4.505 ( -2.079 -0.000 -5.787) 6.149 4.852 ( 1.236 0.000 5.048) 5.198 4.899 ( 7.150 0.000 2.530) 7.584 8.263 ( 2.151 0.000 0.577) 2.227 8.325 ( 1.907 0.000 0.319) 1.934 8.475 ( 7.522 0.000 18.435) 19.911 8.641 ( -2.398 -0.000 12.104) 12.339 8.875 ( 13.531 0.000 3.837) 14.064 9.349 ( -10.004 -0.000 1.208) 10.076 10.061 ( 23.982 0.000 3.066) 24.177 10.205 ( 20.028 0.000 -0.908) 20.049 10.910 ( 10.867 0.000 -4.411) 11.728 11.154 ( 5.532 0.000 -4.258) 6.981 11.271 ( -0.338 -0.000 4.632) 4.644 11.403 ( -10.970 -0.000 -5.052) 12.077 11.684 ( 6.452 0.000 0.124) 6.453 11.797 ( 4.636 0.000 -1.346) 4.828 11.933 ( -1.851 -0.000 -0.174) 1.859 11.998 ( -6.187 -0.000 -0.777) 6.236 12.554 ( 24.095 0.000 -13.502) 27.621 12.775 ( 12.732 0.000 -13.386) 18.474 12.905 ( 34.168 0.000 -0.799) 34.177 12.953 ( 9.421 0.000 -7.211) 11.864 13.829 ( -18.401 -0.000 -1.342) 18.450 14.127 ( -17.639 -0.000 -4.182) 18.128 14.355 ( 3.737 0.000 14.799) 15.264 14.478 ( -9.146 -0.000 10.249) 13.736 15.427 ( -18.937 -0.000 4.041) 19.363 15.534 ( -6.770 -0.000 1.147) 6.866 15.863 ( -1.007 -0.000 7.572) 7.639 16.016 ( -16.488 -0.000 -0.783) 16.507 16.256 ( 6.113 0.000 -9.213) 11.056 16.470 ( -11.248 -0.000 -5.776) 12.645 ======================= Grid point 129 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.368 ( 12.657 -1.279 4.026) 13.343 1.551 ( -1.044 0.514 9.057) 9.131 1.558 ( -4.159 -0.076 6.726) 7.908 1.618 ( -1.376 0.557 1.531) 2.132 1.830 ( 7.331 -1.429 1.466) 7.612 2.118 ( -6.331 1.819 -10.710) 12.574 2.178 ( 3.067 -0.847 -8.127) 8.728 2.282 ( -5.818 1.957 -3.884) 7.264 2.318 ( -0.406 -0.729 1.714) 1.906 2.442 ( 2.136 -0.674 -0.092) 2.242 2.605 ( 0.771 0.111 1.066) 1.321 2.672 ( -0.780 0.161 3.672) 3.757 2.846 ( -3.875 1.167 7.599) 8.609 2.871 ( 2.029 -1.219 7.734) 8.088 3.188 ( 2.309 0.620 -0.422) 2.428 3.194 ( 5.661 0.523 -0.134) 5.687 3.224 ( 2.043 0.142 -1.816) 2.737 3.385 ( -10.314 2.548 -4.615) 11.583 3.424 ( -0.092 -0.115 0.487) 0.508 3.473 ( -0.830 0.825 -0.012) 1.171 3.547 ( 0.713 0.014 0.316) 0.780 3.584 ( -2.224 -5.212 -0.096) 5.667 3.811 ( -0.306 -0.226 -0.398) 0.550 3.814 ( -0.623 -0.898 -1.310) 1.706 3.877 ( -1.531 0.012 2.278) 2.745 4.119 ( -1.277 1.269 -4.799) 5.126 4.439 ( 0.836 2.564 -3.653) 4.541 4.482 ( -0.148 -2.372 -4.860) 5.410 4.852 ( -1.440 -0.278 7.275) 7.421 5.013 ( 4.911 0.427 1.197) 5.072 8.297 ( 0.626 1.088 0.005) 1.256 8.320 ( -0.676 -1.189 -0.575) 1.483 8.544 ( -6.315 0.338 17.548) 18.653 8.607 ( 5.563 -0.332 17.838) 18.689 9.134 ( -12.664 -0.011 0.626) 12.679 9.162 ( 15.147 0.030 -0.334) 15.150 10.329 ( -2.109 0.817 2.460) 3.342 10.343 ( 0.210 -0.743 2.195) 2.327 11.078 ( -13.922 -0.151 -6.578) 15.398 11.163 ( 7.724 0.213 -8.172) 11.246 11.289 ( 3.484 0.085 0.377) 3.505 11.291 ( 8.342 0.032 0.785) 8.379 11.791 ( 4.129 0.010 -2.476) 4.815 11.795 ( -4.366 0.048 -2.192) 4.886 11.927 ( -1.869 -0.012 2.030) 2.759 11.975 ( 6.947 0.103 0.818) 6.996 12.887 ( -3.983 -0.066 -17.859) 18.297 12.906 ( 5.104 -0.010 -18.955) 19.631 13.110 ( 9.789 -0.092 2.590) 10.127 13.125 ( -9.645 0.017 3.564) 10.282 13.760 ( 11.469 -0.083 -11.900) 16.528 13.803 ( -14.990 0.209 -10.098) 18.075 14.363 ( -2.109 0.134 13.995) 14.154 14.381 ( -1.760 -0.019 15.900) 15.997 15.188 ( -4.517 -0.521 8.858) 9.957 15.388 ( -6.157 -0.364 7.886) 10.012 15.684 ( -15.012 -2.457 4.707) 15.923 16.018 ( 11.568 -0.089 -0.956) 11.608 16.207 ( -10.526 0.418 -4.721) 11.544 16.427 ( 8.056 2.876 -9.576) 12.841 ======================= Grid point 130 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.370 ( -9.509 1.188 10.912) 14.522 1.445 ( -6.588 3.596 2.521) 7.918 1.567 ( 5.936 -1.356 -0.467) 6.107 1.715 ( 4.961 -1.208 6.000) 7.879 1.955 ( -6.259 1.960 -6.128) 8.976 2.004 ( 7.443 -1.957 -1.503) 7.842 2.127 ( -8.257 1.960 -1.295) 8.584 2.237 ( 1.671 -1.110 -11.442) 11.616 2.350 ( 2.071 -0.571 2.320) 3.162 2.484 ( 2.084 -0.094 -0.016) 2.086 2.569 ( -5.636 0.825 3.090) 6.480 2.655 ( -1.441 0.432 1.175) 1.909 2.741 ( -1.923 -0.918 6.292) 6.643 3.034 ( 10.587 -0.115 7.324) 12.874 3.109 ( -8.844 3.784 -1.825) 9.791 3.183 ( -2.774 0.160 -0.418) 2.810 3.259 ( 4.053 0.924 -1.338) 4.367 3.382 ( 6.434 -1.396 -0.790) 6.631 3.410 ( -0.683 -0.284 -0.374) 0.829 3.450 ( -1.738 0.058 -0.956) 1.984 3.556 ( -0.150 -0.091 0.865) 0.882 3.592 ( -1.477 -5.029 0.374) 5.255 3.799 ( -1.664 -1.215 -0.376) 2.095 3.830 ( 1.669 -1.501 0.129) 2.248 3.891 ( 2.152 -1.423 0.003) 2.580 4.076 ( -1.862 1.922 -5.256) 5.898 4.395 ( -2.468 1.980 -3.112) 4.438 4.533 ( 3.099 -1.031 -4.466) 5.533 4.803 ( -4.163 -0.443 8.531) 9.503 5.057 ( 0.633 1.888 -0.031) 1.992 8.264 ( -2.092 0.444 0.388) 2.173 8.315 ( -3.533 -0.564 2.034) 4.116 8.423 ( -5.570 -0.566 15.840) 16.801 8.680 ( 1.228 0.296 11.583) 11.652 8.886 ( -12.353 0.143 4.190) 13.045 9.411 ( 11.372 0.778 0.319) 11.403 10.056 ( -23.068 0.039 2.407) 23.194 10.144 ( -23.111 -0.493 -0.955) 23.136 10.883 ( -6.891 -0.204 -7.206) 9.973 11.127 ( -6.202 -0.264 -3.633) 7.192 11.361 ( 3.641 1.155 6.276) 7.347 11.520 ( 7.625 1.150 -5.146) 9.271 11.689 ( -5.901 0.090 0.360) 5.913 11.802 ( -2.417 0.136 0.092) 2.423 11.940 ( 2.521 0.106 -0.229) 2.534 12.178 ( 16.028 2.545 -2.931) 16.492 12.544 ( -24.591 -0.138 -13.289) 27.952 12.797 ( -11.938 0.232 -14.590) 18.853 12.896 ( -35.216 0.041 1.022) 35.231 12.979 ( -8.728 0.095 -5.594) 10.367 13.831 ( 17.776 0.277 -2.105) 17.903 13.990 ( 9.817 -2.548 -4.385) 11.050 14.314 ( -6.048 -0.259 16.996) 18.042 14.397 ( 6.119 -0.500 4.153) 7.412 15.136 ( -22.369 -7.986 -5.346) 24.347 15.239 ( 3.898 -3.038 3.381) 5.988 15.741 ( 17.864 0.684 15.058) 23.374 16.028 ( -5.032 1.014 0.601) 5.168 16.273 ( 13.143 -2.001 -3.203) 13.675 16.577 ( 11.271 4.574 -8.230) 14.686 ======================= Grid point 131 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.187 ( -7.686 4.423 10.861) 14.021 1.302 ( -4.763 5.901 6.634) 10.076 1.562 ( -4.772 2.065 -7.939) 9.490 1.761 ( -2.536 -2.307 2.108) 4.024 1.888 ( -1.119 1.359 5.230) 5.518 1.924 ( -12.086 0.659 -0.385) 12.110 2.143 ( 3.686 -1.966 -3.034) 5.163 2.262 ( 0.432 -1.322 -10.206) 10.300 2.373 ( -3.045 0.188 1.401) 3.357 2.402 ( -6.320 1.391 5.255) 8.336 2.516 ( 0.618 1.381 -2.261) 2.721 2.599 ( -1.876 -0.027 -1.940) 2.699 2.794 ( 4.559 -2.507 3.869) 6.483 2.998 ( 0.838 1.302 -2.080) 2.593 3.141 ( -1.279 0.655 1.232) 1.893 3.250 ( 10.140 0.167 7.064) 12.360 3.305 ( 1.432 1.464 -1.808) 2.732 3.365 ( -2.594 -0.350 -1.742) 3.145 3.422 ( 0.729 0.189 -0.817) 1.111 3.522 ( 1.638 -0.790 1.422) 2.308 3.547 ( 2.841 -0.942 0.328) 3.011 3.629 ( 1.454 -4.603 -0.089) 4.828 3.785 ( -1.316 -2.635 -0.322) 2.963 3.892 ( 2.741 -2.115 -1.046) 3.617 3.959 ( 2.801 -0.789 -1.383) 3.222 4.026 ( -1.599 -0.959 -3.301) 3.791 4.329 ( -2.481 2.255 0.117) 3.354 4.603 ( 4.058 0.610 -5.692) 7.017 4.716 ( -5.170 -0.772 7.537) 9.172 5.001 ( -4.265 3.200 -0.474) 5.353 8.142 ( -13.874 -0.110 14.303) 19.927 8.234 ( -1.209 -0.075 0.441) 1.289 8.362 ( -2.788 -0.616 -1.425) 3.191 8.600 ( -10.671 0.344 4.287) 11.505 8.735 ( -3.342 0.215 12.120) 12.574 9.525 ( -31.047 0.347 1.681) 31.094 9.580 ( 6.158 1.014 5.561) 8.359 9.626 ( -30.502 -0.899 -1.146) 30.537 10.784 ( -4.387 0.318 -11.861) 12.651 10.957 ( -13.918 -0.565 -0.332) 13.933 11.340 ( -6.159 1.306 6.856) 9.308 11.476 ( -8.244 0.529 -5.957) 10.185 11.604 ( -8.523 0.450 -3.723) 9.311 11.741 ( -4.766 1.212 8.583) 9.892 11.921 ( -6.040 0.144 -16.412) 17.489 12.060 ( -39.173 0.013 7.896) 39.960 12.216 ( -5.819 0.388 -2.836) 6.485 12.505 ( 15.432 6.404 -2.765) 16.935 12.629 ( -6.418 -0.132 -10.163) 12.021 12.783 ( -11.358 0.482 -8.436) 14.156 14.043 ( -11.311 -11.800 4.468) 16.945 14.179 ( 2.741 -0.289 12.223) 12.530 14.201 ( 5.758 -1.096 11.328) 12.755 14.556 ( 9.278 -0.779 -4.951) 10.545 14.857 ( -11.704 -9.537 -6.279) 16.351 15.338 ( 2.470 -5.734 -11.975) 13.505 16.042 ( 6.771 -0.884 10.190) 12.266 16.114 ( 20.963 2.146 9.535) 23.130 16.529 ( 12.113 -2.503 -3.754) 12.926 16.767 ( 13.970 5.368 -7.113) 16.571 ======================= Grid point 132 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.019 ( -5.060 7.677 11.648) 14.840 1.150 ( -6.012 9.301 8.677) 14.069 1.438 ( -4.598 5.192 -8.090) 10.655 1.598 ( -20.489 -0.489 -0.291) 20.497 1.646 ( -13.701 -0.929 -0.282) 13.735 1.835 ( -1.978 3.217 10.123) 10.805 2.112 ( -9.772 -2.147 3.435) 10.578 2.250 ( -0.588 0.302 -5.843) 5.880 2.309 ( 2.007 0.095 -1.707) 2.636 2.401 ( 1.363 0.454 2.210) 2.635 2.501 ( 1.201 1.481 -4.347) 4.747 2.640 ( 3.016 -2.208 -7.602) 8.472 2.903 ( 3.697 -2.912 2.684) 5.418 3.047 ( 2.749 0.874 0.859) 3.010 3.112 ( -0.867 -0.363 -1.635) 1.886 3.286 ( -3.112 0.564 -3.551) 4.755 3.320 ( -0.586 -0.719 -0.787) 1.216 3.349 ( 1.899 1.776 2.800) 3.821 3.479 ( -2.458 1.392 4.568) 5.370 3.545 ( 10.026 -0.751 3.078) 10.515 3.656 ( 4.584 0.331 -1.589) 4.863 3.713 ( 3.940 -2.876 -1.594) 5.132 3.809 ( 1.272 -4.453 -0.224) 4.637 3.883 ( -3.555 1.071 -2.910) 4.717 4.011 ( 3.572 -3.264 1.579) 5.090 4.106 ( 4.474 -6.187 -1.815) 7.848 4.281 ( -0.490 2.078 1.875) 2.841 4.609 ( -3.396 0.021 2.156) 4.023 4.687 ( 1.209 2.038 -5.778) 6.245 4.878 ( -3.382 3.576 0.369) 4.935 7.856 ( -15.674 0.251 14.314) 21.228 8.235 ( 1.218 -0.195 -0.399) 1.296 8.289 ( -20.901 0.065 1.455) 20.952 8.326 ( -1.828 -0.820 -4.771) 5.175 8.725 ( -0.549 0.194 15.160) 15.172 8.928 ( -28.180 0.218 3.368) 28.381 9.077 ( -27.942 -1.484 -3.306) 28.176 9.732 ( 9.085 1.333 12.883) 15.820 10.508 ( -37.690 -0.595 -0.576) 37.699 10.676 ( -10.184 0.038 -16.275) 19.199 11.116 ( -22.849 0.260 -0.170) 22.851 11.141 ( -13.364 -0.994 -1.971) 13.545 11.383 ( -5.901 0.209 -3.197) 6.714 11.534 ( -14.014 -0.098 -7.074) 15.699 11.736 ( -4.469 0.007 7.154) 8.435 11.888 ( 3.836 3.352 1.416) 5.288 12.224 ( 3.290 1.190 6.042) 6.982 12.505 ( -3.540 0.701 -5.717) 6.760 12.577 ( -9.561 0.561 -11.230) 14.759 12.710 ( 5.907 7.403 -3.149) 9.981 13.788 ( -27.761 -26.356 18.635) 42.575 14.064 ( -5.623 -0.632 17.674) 18.558 14.455 ( 11.334 -0.593 4.178) 12.095 14.703 ( 3.258 -1.486 -5.777) 6.797 14.832 ( 2.137 -1.852 -5.335) 6.038 15.479 ( 6.024 -11.071 -24.603) 27.644 16.231 ( 10.191 -2.624 13.863) 17.404 16.432 ( 15.398 2.704 6.803) 17.050 16.744 ( 8.664 -2.515 -3.822) 9.798 17.003 ( 16.703 6.149 -8.229) 19.609 ======================= Grid point 133 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.847 ( -19.064 8.693 4.572) 21.445 0.875 ( -4.025 9.191 15.031) 18.073 1.216 ( -11.675 8.048 12.962) 19.212 1.323 ( -3.636 6.813 -9.634) 12.347 1.403 ( -11.313 1.682 -8.567) 14.290 1.782 ( -0.873 2.655 11.326) 11.666 1.938 ( -9.487 -2.844 11.727) 15.350 2.241 ( -0.545 -0.250 -6.240) 6.269 2.352 ( 2.135 0.375 -2.377) 3.217 2.430 ( 2.238 0.722 0.800) 2.484 2.518 ( 0.792 0.714 -5.760) 5.858 2.710 ( 2.057 -2.722 -10.166) 10.723 2.940 ( -2.419 -2.096 1.440) 3.510 3.057 ( -0.409 -2.767 5.170) 5.878 3.125 ( 1.751 1.771 -3.233) 4.081 3.206 ( -3.786 1.774 -3.382) 5.378 3.334 ( 0.769 0.033 -0.741) 1.069 3.371 ( 1.922 0.770 1.662) 2.654 3.421 ( -2.077 1.783 6.059) 6.648 3.688 ( 0.591 1.230 -2.144) 2.542 3.709 ( 5.055 -2.646 1.341) 5.861 3.791 ( 2.689 0.288 -1.327) 3.012 3.838 ( -0.772 -0.179 0.094) 0.798 3.914 ( 6.401 -2.571 -0.895) 6.956 4.111 ( 2.947 -5.126 0.936) 5.987 4.252 ( 4.451 -2.163 -0.529) 4.976 4.287 ( 1.954 -5.288 -0.846) 5.701 4.522 ( -6.930 1.264 -2.177) 7.373 4.613 ( -3.516 0.109 1.284) 3.744 4.922 ( 10.433 6.739 -8.611) 15.113 7.608 ( -10.005 0.305 13.489) 16.797 7.916 ( -16.723 -0.125 1.293) 16.773 8.281 ( 0.646 -0.277 -1.869) 1.996 8.301 ( -1.462 -0.375 -3.238) 3.573 8.442 ( -13.360 -0.609 -1.235) 13.431 8.645 ( -18.559 -1.294 -1.489) 18.663 8.836 ( 4.128 0.393 19.435) 19.873 9.771 ( -33.712 -0.152 1.769) 33.758 9.873 ( 4.118 1.182 11.815) 12.568 10.316 ( -28.327 -4.174 -18.113) 33.881 10.828 ( -9.559 0.203 3.489) 10.178 11.031 ( -0.121 -1.292 -7.446) 7.558 11.304 ( -10.356 -0.639 -8.234) 13.246 11.313 ( -2.664 0.060 -3.296) 4.239 11.686 ( -1.713 -0.078 4.931) 5.221 11.957 ( 7.126 4.276 12.925) 15.366 12.254 ( 0.297 2.237 8.221) 8.525 12.430 ( -5.710 0.182 -15.661) 16.670 12.454 ( -1.610 0.356 -2.985) 3.410 12.594 ( -12.538 -0.164 14.556) 19.212 13.615 ( -12.510 -21.965 21.877) 33.430 13.988 ( -3.101 -0.450 16.373) 16.670 14.618 ( 5.699 -0.826 3.863) 6.934 14.695 ( -2.434 -0.471 -5.341) 5.889 14.924 ( 4.505 -0.502 -4.442) 6.347 15.708 ( 5.845 -14.347 -27.593) 31.644 16.410 ( 6.046 -2.598 12.761) 14.358 16.633 ( 8.306 1.182 5.726) 10.157 16.883 ( 4.334 -2.062 -3.502) 5.941 17.252 ( 14.546 6.301 -12.696) 20.310 ======================= Grid point 134 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.485 ( -0.000 7.627 9.938) 12.528 0.750 ( -0.000 13.490 12.771) 18.577 1.025 ( -0.000 12.759 21.720) 25.190 1.238 ( 0.000 -0.270 -14.672) 14.675 1.256 ( -0.000 9.113 -6.907) 11.435 1.757 ( -0.000 1.973 11.478) 11.646 1.865 ( 0.000 -3.072 14.946) 15.259 2.238 ( 0.000 -0.384 -5.778) 5.791 2.373 ( 0.000 -0.150 -2.326) 2.330 2.455 ( -0.000 0.098 0.461) 0.471 2.512 ( -0.000 0.993 -5.276) 5.369 2.754 ( 0.000 -3.254 -10.407) 10.904 2.911 ( 0.000 -1.651 1.370) 2.145 3.078 ( 0.000 -1.020 6.644) 6.721 3.136 ( -0.000 1.569 -5.740) 5.951 3.142 ( -0.000 0.830 -1.264) 1.512 3.331 ( -0.000 2.464 -0.248) 2.477 3.376 ( -0.000 2.416 6.580) 7.010 3.397 ( 0.000 -0.248 -0.761) 0.800 3.685 ( -0.000 0.124 -2.372) 2.375 3.785 ( 0.000 -3.462 0.406) 3.486 3.818 ( 0.000 -0.257 1.450) 1.473 3.821 ( -0.000 1.122 -0.850) 1.408 4.008 ( -0.000 0.032 -2.822) 2.822 4.186 ( 0.000 -5.182 0.800) 5.244 4.271 ( -0.000 0.115 2.229) 2.231 4.407 ( 0.000 -6.477 -2.957) 7.120 4.427 ( 0.000 -3.484 -2.450) 4.259 4.594 ( 0.000 -0.661 2.812) 2.888 5.002 ( -0.000 9.124 -18.383) 20.523 7.510 ( -0.000 0.267 12.992) 12.994 7.751 ( 0.000 -0.041 1.096) 1.096 8.186 ( -0.000 0.126 0.475) 0.491 8.371 ( 0.000 -1.036 -2.069) 2.314 8.386 ( 0.000 -1.141 -5.600) 5.715 8.437 ( -0.000 0.263 0.516) 0.579 8.895 ( -0.000 0.576 20.485) 20.493 9.408 ( 0.000 -0.022 1.220) 1.220 9.847 ( -0.000 0.044 -9.182) 9.182 10.047 ( 0.000 -3.455 8.063) 8.772 10.738 ( -0.000 0.152 3.293) 3.296 11.087 ( 0.000 -2.672 -3.452) 4.365 11.174 ( 0.000 -0.280 -9.683) 9.688 11.293 ( -0.000 0.070 -1.754) 1.755 11.670 ( 0.000 -0.118 4.663) 4.665 12.080 ( 0.000 -0.107 7.615) 7.616 12.145 ( -0.000 5.709 22.597) 23.307 12.375 ( -0.000 0.071 -16.933) 16.933 12.444 ( -0.000 0.042 -2.987) 2.987 12.463 ( 0.000 -5.191 23.261) 23.834 13.660 ( 0.000 -19.871 28.913) 35.083 13.960 ( 0.000 -0.043 15.937) 15.937 14.671 ( 0.000 -0.119 -5.419) 5.420 14.677 ( 0.000 -0.778 3.771) 3.850 14.972 ( 0.000 -0.566 -4.073) 4.112 15.888 ( 0.000 -14.054 -24.760) 28.471 16.480 ( 0.000 -0.470 10.758) 10.768 16.716 ( 0.000 -2.254 4.863) 5.360 16.938 ( 0.000 -1.705 -3.247) 3.668 17.356 ( -0.000 6.660 -18.136) 19.320 ======================= Grid point 139 (54/93) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.378 ( -8.940 -0.000 12.141) 15.077 1.479 ( -6.021 -0.000 0.362) 6.032 1.555 ( 6.992 0.000 0.127) 6.993 1.703 ( 4.288 0.000 5.807) 7.218 1.973 ( -7.588 -0.000 -8.108) 11.105 1.984 ( 8.739 0.000 -0.590) 8.759 2.149 ( -8.908 -0.000 -1.053) 8.970 2.226 ( 1.725 0.000 -11.429) 11.559 2.345 ( 2.231 0.000 2.358) 3.246 2.480 ( 1.987 0.000 0.132) 1.991 2.581 ( -4.668 -0.000 3.164) 5.639 2.656 ( -1.049 -0.000 2.020) 2.276 2.733 ( -2.647 -0.000 6.736) 7.238 3.032 ( 11.015 0.000 7.208) 13.164 3.153 ( -12.542 -0.000 -3.904) 13.135 3.178 ( -1.419 -0.000 0.709) 1.586 3.270 ( 5.245 0.000 -1.713) 5.517 3.368 ( 5.879 0.000 0.172) 5.881 3.406 ( -0.611 -0.000 -0.780) 0.990 3.451 ( -1.961 -0.000 -0.930) 2.171 3.539 ( -0.467 -0.000 0.642) 0.794 3.560 ( -0.026 -0.000 0.490) 0.490 3.786 ( -1.955 -0.000 -0.725) 2.085 3.818 ( 1.496 0.000 0.155) 1.504 3.878 ( 1.497 0.000 1.141) 1.882 4.094 ( -2.060 -0.000 -5.501) 5.874 4.415 ( -2.911 -0.000 -3.971) 4.924 4.522 ( 4.022 0.000 -3.891) 5.596 4.799 ( -4.142 -0.000 9.082) 9.982 5.073 ( 0.964 0.000 -0.377) 1.035 8.269 ( -2.377 -0.000 0.190) 2.384 8.309 ( -3.214 -0.000 1.948) 3.758 8.418 ( -5.681 -0.000 16.061) 17.036 8.683 ( 1.278 0.000 11.515) 11.585 8.887 ( -12.252 -0.000 4.220) 12.958 9.417 ( 11.528 0.000 0.257) 11.531 10.057 ( -23.068 -0.000 2.409) 23.193 10.140 ( -23.189 -0.000 -1.030) 23.212 10.881 ( -6.643 -0.000 -7.602) 10.096 11.124 ( -6.305 -0.000 -3.612) 7.267 11.371 ( 3.987 0.000 6.487) 7.615 11.530 ( 7.305 0.000 -5.110) 8.915 11.690 ( -5.851 -0.000 0.387) 5.864 11.803 ( -2.199 -0.000 0.312) 2.221 11.941 ( 2.571 0.000 -0.197) 2.579 12.200 ( 17.221 0.000 -3.199) 17.516 12.543 ( -24.688 -0.000 -13.324) 28.054 12.799 ( -11.853 -0.000 -14.711) 18.892 12.897 ( -35.406 -0.000 1.305) 35.430 12.979 ( -8.445 -0.000 -5.391) 10.019 13.834 ( 17.889 0.000 -2.046) 18.006 13.967 ( 7.762 0.000 -4.260) 8.854 14.312 ( -6.260 -0.000 17.254) 18.354 14.393 ( 6.411 0.000 2.750) 6.976 15.065 ( -25.077 -0.000 -4.826) 25.537 15.214 ( 4.447 0.000 3.754) 5.820 15.748 ( 18.742 0.000 15.389) 24.250 16.038 ( -5.949 -0.000 0.106) 5.950 16.254 ( 13.359 0.000 -2.785) 13.646 16.617 ( 10.815 0.000 -8.546) 13.784 ======================= Grid point 140 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.229 ( -6.796 1.088 14.701) 16.232 1.389 ( -2.270 3.313 0.186) 4.020 1.586 ( -2.584 0.784 -6.380) 6.928 1.726 ( -2.699 -1.405 2.553) 3.972 1.876 ( -7.407 -0.912 -1.367) 7.587 1.965 ( -7.768 1.904 3.658) 8.795 2.121 ( 4.631 -0.648 -2.849) 5.475 2.243 ( 0.537 -0.696 -11.541) 11.574 2.376 ( 0.358 0.157 1.995) 2.033 2.411 ( -9.161 -0.041 5.465) 10.668 2.540 ( 2.591 1.145 -1.791) 3.351 2.600 ( -4.481 0.025 -0.394) 4.498 2.765 ( 4.218 -0.908 4.454) 6.201 3.016 ( -0.226 0.671 -3.367) 3.441 3.150 ( -1.770 0.360 2.192) 2.840 3.247 ( 10.670 -0.222 6.092) 12.289 3.332 ( -1.985 1.032 -1.210) 2.544 3.371 ( 1.841 1.223 -2.609) 3.419 3.426 ( 0.904 0.481 -0.540) 1.157 3.466 ( 2.246 -4.174 1.845) 5.086 3.548 ( -0.848 0.288 1.682) 1.906 3.588 ( 5.305 -0.806 -1.440) 5.556 3.750 ( -2.258 -1.221 -0.800) 2.688 3.864 ( 2.845 -0.943 -0.380) 3.021 3.926 ( 2.888 -1.578 0.595) 3.345 4.037 ( -3.831 0.816 -4.643) 6.075 4.360 ( -2.297 1.094 -0.899) 2.698 4.611 ( 5.685 0.295 -5.639) 8.013 4.706 ( -5.705 -0.407 8.844) 10.532 5.038 ( -4.255 1.167 -1.150) 4.560 8.141 ( -13.664 -0.020 14.632) 20.020 8.233 ( -1.273 -0.027 0.120) 1.279 8.354 ( -2.765 -0.274 -1.682) 3.248 8.604 ( -10.877 0.136 4.120) 11.632 8.737 ( -3.340 0.083 12.073) 12.526 9.530 ( -32.521 0.147 1.576) 32.560 9.592 ( 4.921 0.344 3.973) 6.334 9.617 ( -27.819 -0.220 0.828) 27.832 10.788 ( -4.016 0.132 -13.253) 13.848 10.950 ( -14.023 -0.225 -0.407) 14.031 11.355 ( -7.353 0.474 6.243) 9.657 11.482 ( -8.595 0.185 -5.828) 10.386 11.610 ( -8.548 0.173 -4.017) 9.447 11.756 ( -4.749 0.498 9.634) 10.753 11.924 ( -5.173 0.089 -16.129) 16.939 12.060 ( -39.479 -0.005 8.036) 40.288 12.221 ( -5.205 0.186 -2.191) 5.650 12.585 ( 14.952 2.613 -3.384) 15.552 12.629 ( -3.430 0.136 -10.731) 11.266 12.788 ( -11.341 0.124 -7.934) 13.841 13.889 ( -21.913 -5.344 6.911) 23.590 14.180 ( 2.977 0.308 12.676) 13.025 14.188 ( 6.339 -0.604 10.607) 12.372 14.551 ( 9.036 0.002 -7.460) 11.717 14.748 ( -5.431 -3.455 -6.434) 9.101 15.272 ( 0.764 -2.030 -10.890) 11.104 16.033 ( 5.488 -0.236 9.607) 11.067 16.140 ( 21.401 0.843 9.737) 23.527 16.497 ( 12.224 -1.050 -3.221) 12.685 16.830 ( 13.451 1.993 -7.429) 15.495 ======================= Grid point 141 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.106 ( -4.585 3.323 15.632) 16.626 1.313 ( -2.857 9.064 0.370) 9.511 1.509 ( -3.895 3.304 -6.541) 8.299 1.577 ( -19.534 -2.085 -1.179) 19.680 1.624 ( -10.456 -1.615 -0.794) 10.610 1.891 ( -1.792 2.998 9.211) 9.851 2.078 ( -10.382 -1.644 1.828) 10.670 2.252 ( -1.397 -0.112 -7.869) 7.992 2.315 ( 2.635 0.647 0.215) 2.721 2.397 ( 1.140 -0.695 2.423) 2.767 2.527 ( -0.134 1.433 -3.858) 4.117 2.615 ( 3.249 -0.856 -5.294) 6.270 2.863 ( 4.326 -1.718 3.040) 5.559 3.066 ( 1.446 1.360 0.283) 2.005 3.103 ( -0.643 -0.708 -1.167) 1.509 3.293 ( -2.080 0.221 -2.752) 3.457 3.302 ( -1.320 -0.963 -0.408) 1.684 3.381 ( -0.162 2.009 3.624) 4.147 3.493 ( -1.429 0.060 4.494) 4.716 3.536 ( 9.606 -0.255 3.404) 10.194 3.642 ( 8.922 -1.931 -3.686) 9.845 3.689 ( 4.754 -0.051 -1.256) 4.918 3.741 ( 0.318 -3.236 -1.051) 3.418 3.891 ( -3.584 -0.137 -3.721) 5.168 3.975 ( 0.813 -1.011 2.095) 2.464 4.010 ( 3.100 -4.542 0.182) 5.502 4.320 ( -0.461 2.049 0.811) 2.251 4.605 ( -4.244 -0.268 6.155) 7.481 4.717 ( 3.362 1.404 -9.399) 10.081 4.925 ( -3.521 1.986 -0.346) 4.057 7.859 ( -15.524 0.179 14.298) 21.106 8.231 ( 1.060 -0.170 -0.664) 1.262 8.290 ( -21.007 0.087 1.359) 21.051 8.315 ( -1.842 -0.539 -5.165) 5.510 8.728 ( -0.761 0.153 15.201) 15.221 8.931 ( -27.963 0.202 3.562) 28.190 9.059 ( -28.027 -0.725 -2.969) 28.193 9.751 ( 9.004 0.857 13.300) 16.084 10.500 ( -37.470 -0.354 -0.515) 37.475 10.677 ( -11.847 0.050 -17.170) 20.861 11.120 ( -20.198 0.204 -1.924) 20.291 11.129 ( -16.935 -0.430 -1.884) 17.045 11.385 ( -6.140 0.112 -3.251) 6.948 11.531 ( -14.760 -0.181 -9.074) 17.327 11.736 ( -4.542 -0.025 7.020) 8.361 11.935 ( 5.203 2.049 3.076) 6.381 12.243 ( 4.020 0.997 7.756) 8.793 12.510 ( -4.030 0.091 -6.177) 7.375 12.585 ( -9.855 0.372 -11.384) 15.062 12.849 ( 7.359 8.858 -2.854) 11.864 13.419 ( -29.260 -17.828 19.832) 39.589 14.056 ( -5.511 -0.311 18.140) 18.961 14.447 ( 11.014 -0.421 4.055) 11.744 14.680 ( 3.134 -1.177 -7.746) 8.439 14.811 ( 5.872 -0.864 -5.240) 7.918 15.329 ( 3.035 -6.472 -25.644) 26.622 16.194 ( 9.306 -1.640 14.313) 17.151 16.473 ( 15.535 1.909 7.065) 17.173 16.708 ( 9.121 -1.616 -3.428) 9.877 17.081 ( 15.839 3.150 -8.160) 18.094 ======================= Grid point 142 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.956 ( -20.968 5.287 5.106) 22.219 1.018 ( -5.270 6.715 14.528) 16.850 1.322 ( -6.535 3.076 -3.930) 8.223 1.412 ( -7.900 5.559 -2.489) 9.976 1.468 ( -1.029 4.918 -7.173) 8.758 1.835 ( -1.213 3.336 11.014) 11.572 1.890 ( -9.605 -2.506 11.523) 15.209 2.237 ( -0.581 -0.311 -7.100) 7.130 2.362 ( 2.215 0.849 -2.338) 3.330 2.431 ( 1.655 -0.565 0.983) 2.006 2.530 ( 0.661 0.682 -6.476) 6.546 2.679 ( 2.463 -1.109 -8.173) 8.608 2.911 ( -1.530 -1.319 1.482) 2.505 3.019 ( -1.569 -1.696 5.876) 6.314 3.153 ( 2.373 1.419 -4.114) 4.957 3.230 ( -2.731 1.199 -2.992) 4.225 3.324 ( 1.203 -0.649 1.011) 1.700 3.373 ( 0.549 -0.470 3.525) 3.599 3.451 ( -1.627 1.566 6.315) 6.707 3.659 ( 2.043 -3.174 0.988) 3.902 3.708 ( -0.779 1.148 -1.759) 2.240 3.800 ( 2.919 0.630 -1.988) 3.588 3.833 ( 1.672 -0.478 -1.876) 2.558 3.873 ( 9.974 -2.168 -1.206) 10.277 4.037 ( 2.219 -3.500 1.161) 4.304 4.119 ( 2.952 -8.037 -0.891) 8.608 4.307 ( 0.771 2.332 0.560) 2.519 4.539 ( -4.784 0.715 1.613) 5.099 4.617 ( -7.402 0.311 -2.306) 7.759 5.010 ( 11.397 3.832 -9.928) 15.593 7.613 ( -10.039 0.265 13.376) 16.726 7.915 ( -16.739 -0.061 1.247) 16.785 8.278 ( 0.518 -0.091 -2.529) 2.583 8.293 ( -0.305 -0.543 -3.527) 3.582 8.434 ( -14.601 -0.407 -1.191) 14.656 8.630 ( -17.921 -0.597 -1.167) 17.969 8.841 ( 4.471 0.279 20.253) 20.743 9.770 ( -34.163 -0.018 1.585) 34.200 9.891 ( 4.829 0.964 12.911) 13.819 10.263 ( -29.110 -2.244 -14.419) 32.563 10.832 ( -9.646 0.184 3.464) 10.251 11.021 ( 0.498 -0.058 -11.667) 11.678 11.294 ( -10.728 -0.491 -10.114) 14.752 11.313 ( -2.443 -0.057 -3.127) 3.969 11.684 ( -1.770 -0.086 4.945) 5.253 12.015 ( 5.346 2.562 10.103) 11.714 12.295 ( 2.393 2.348 11.238) 11.727 12.433 ( -6.042 0.146 -16.033) 17.134 12.459 ( -1.711 0.164 -3.508) 3.906 12.612 ( -18.139 2.310 26.593) 32.273 13.346 ( 0.198 -11.789 5.797) 13.139 13.984 ( -2.702 -0.199 16.471) 16.692 14.603 ( 5.431 -0.950 3.600) 6.585 14.687 ( -1.668 -0.480 -5.650) 5.911 14.919 ( 4.550 -0.165 -4.425) 6.350 15.483 ( 4.238 -11.712 -32.126) 34.456 16.357 ( 5.670 -3.025 14.570) 15.924 16.671 ( 8.002 2.607 6.325) 10.528 16.850 ( 4.724 -1.690 -3.476) 6.103 17.329 ( 12.712 3.306 -11.209) 17.268 ======================= Grid point 143 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.610 ( -0.000 7.081 6.620) 9.694 0.930 ( -0.000 8.410 17.777) 19.666 1.230 ( 0.000 -0.758 -13.819) 13.840 1.256 ( -0.000 13.850 7.570) 15.784 1.408 ( -0.000 8.336 -8.744) 12.081 1.803 ( -0.000 3.387 10.965) 11.476 1.810 ( 0.000 -3.268 15.626) 15.964 2.234 ( 0.000 -0.255 -6.878) 6.883 2.377 ( -0.000 0.573 -2.054) 2.133 2.454 ( 0.000 -0.382 -0.071) 0.388 2.528 ( -0.000 0.875 -6.650) 6.708 2.714 ( 0.000 -1.587 -9.248) 9.383 2.886 ( 0.000 -1.199 2.165) 2.475 3.034 ( 0.000 -2.801 6.643) 7.210 3.161 ( -0.000 1.325 -6.494) 6.627 3.183 ( -0.000 2.889 0.618) 2.955 3.339 ( 0.000 -0.491 -0.114) 0.504 3.392 ( 0.000 -0.847 2.815) 2.940 3.417 ( -0.000 2.328 6.829) 7.215 3.687 ( -0.000 0.082 -1.058) 1.062 3.712 ( 0.000 -4.911 0.857) 4.985 3.814 ( 0.000 -0.259 0.900) 0.936 3.856 ( -0.000 2.537 -4.107) 4.827 4.009 ( -0.000 0.060 -3.021) 3.022 4.095 ( 0.000 -5.001 0.769) 5.060 4.233 ( 0.000 -10.827 -2.505) 11.113 4.296 ( -0.000 2.240 0.438) 2.282 4.431 ( -0.000 1.113 -1.546) 1.905 4.578 ( 0.000 -1.285 3.388) 3.624 5.115 ( -0.000 4.888 -17.236) 17.916 7.514 ( -0.000 0.274 12.953) 12.955 7.751 ( 0.000 -0.045 1.151) 1.152 8.188 ( -0.000 0.134 0.484) 0.502 8.355 ( 0.000 -0.852 -2.945) 3.065 8.367 ( 0.000 -1.110 -5.960) 6.062 8.442 ( -0.000 0.259 0.484) 0.549 8.905 ( -0.000 0.529 21.533) 21.539 9.408 ( 0.000 -0.017 1.207) 1.207 9.848 ( -0.000 0.045 -9.224) 9.224 10.015 ( 0.000 -0.706 12.914) 12.933 10.741 ( -0.000 0.158 3.252) 3.256 11.062 ( 0.000 -0.634 -10.859) 10.878 11.169 ( 0.000 -0.283 -9.475) 9.479 11.293 ( 0.000 -0.053 -2.097) 2.098 11.668 ( 0.000 -0.118 4.689) 4.691 12.078 ( 0.000 -0.112 7.564) 7.565 12.257 ( -0.000 7.029 24.567) 25.553 12.376 ( -0.000 0.073 -16.970) 16.971 12.413 ( 0.000 -1.031 26.325) 26.345 12.444 ( -0.000 0.042 -3.034) 3.034 13.438 ( 0.000 -9.343 6.701) 11.498 13.959 ( 0.000 -0.045 15.923) 15.923 14.662 ( 0.000 -1.080 3.505) 3.667 14.669 ( 0.000 -0.120 -5.405) 5.406 14.964 ( 0.000 -0.353 -4.150) 4.165 15.639 ( 0.000 -14.701 -31.760) 34.997 16.439 ( 0.000 -3.572 13.719) 14.176 16.724 ( -0.000 2.323 5.981) 6.416 16.908 ( 0.000 -1.754 -3.381) 3.808 17.433 ( -0.000 3.256 -14.141) 14.511 ======================= Grid point 150 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.134 ( -4.173 -0.000 15.960) 16.496 1.405 ( 1.397 0.000 -2.161) 2.573 1.538 ( -14.168 -0.000 -2.364) 14.364 1.548 ( -12.235 -0.000 -3.441) 12.709 1.605 ( -8.958 -0.000 -1.643) 9.108 1.918 ( -1.616 -0.000 8.459) 8.611 2.064 ( -10.732 -0.000 1.247) 10.804 2.250 ( -1.360 -0.000 -8.730) 8.835 2.323 ( 2.741 0.000 1.338) 3.050 2.388 ( 0.858 0.000 2.340) 2.492 2.540 ( -1.068 -0.000 -3.337) 3.504 2.609 ( 3.657 0.000 -4.574) 5.856 2.849 ( 4.540 0.000 3.163) 5.533 3.087 ( 5.642 0.000 -4.512) 7.224 3.089 ( -5.221 -0.000 3.469) 6.269 3.292 ( -0.510 -0.000 0.851) 0.992 3.296 ( -2.748 -0.000 -3.541) 4.482 3.404 ( -2.285 -0.000 4.724) 5.248 3.488 ( 0.821 0.000 3.793) 3.881 3.535 ( 9.049 0.000 3.286) 9.627 3.621 ( 10.379 0.000 -4.562) 11.337 3.691 ( 4.697 0.000 -1.253) 4.861 3.712 ( 0.136 0.000 -1.486) 1.492 3.887 ( -2.478 -0.000 -3.708) 4.460 3.969 ( -1.251 -0.000 1.923) 2.294 3.971 ( 2.774 0.000 1.304) 3.065 4.338 ( -0.505 -0.000 0.446) 0.674 4.603 ( -4.531 -0.000 7.261) 8.559 4.729 ( 4.139 0.000 -10.280) 11.082 4.942 ( -3.655 -0.000 -0.612) 3.706 7.861 ( -15.472 -0.000 14.294) 21.064 8.230 ( 0.958 0.000 -0.765) 1.226 8.291 ( -21.178 -0.000 1.406) 21.225 8.310 ( -1.663 -0.000 -5.387) 5.638 8.730 ( -0.842 -0.000 15.229) 15.252 8.933 ( -27.855 -0.000 3.668) 28.095 9.053 ( -28.095 -0.000 -2.882) 28.242 9.759 ( 8.988 0.000 13.471) 16.195 10.497 ( -37.395 -0.000 -0.481) 37.398 10.678 ( -12.479 -0.000 -17.490) 21.485 11.122 ( -13.376 -0.000 -5.506) 14.464 11.125 ( -23.934 -0.000 1.015) 23.956 11.386 ( -6.237 -0.000 -3.271) 7.043 11.529 ( -14.997 -0.000 -9.670) 17.844 11.735 ( -4.561 -0.000 6.979) 8.338 11.952 ( 5.511 0.000 3.311) 6.429 12.252 ( 4.353 0.000 8.560) 9.603 12.511 ( -4.071 -0.000 -6.315) 7.513 12.589 ( -9.941 -0.000 -11.378) 15.109 12.955 ( 16.425 0.000 -7.552) 18.078 13.239 ( -37.834 -0.000 24.868) 45.275 14.053 ( -5.459 -0.000 18.261) 19.059 14.443 ( 10.806 0.000 4.027) 11.532 14.669 ( 3.165 0.000 -8.854) 9.403 14.803 ( 7.165 0.000 -5.156) 8.827 15.274 ( 1.762 0.000 -25.501) 25.562 16.180 ( 8.934 0.000 14.337) 16.893 16.489 ( 15.630 0.000 7.084) 17.161 16.694 ( 9.335 0.000 -3.210) 9.872 17.107 ( 15.442 0.000 -8.117) 17.446 ======================= Grid point 152 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.020 ( -20.352 2.136 4.241) 20.898 1.093 ( -7.222 2.294 14.901) 16.717 1.338 ( -10.337 -0.008 -8.777) 13.561 1.498 ( 0.121 3.446 -2.961) 4.545 1.523 ( 0.360 1.414 -5.135) 5.338 1.851 ( -9.917 -0.859 11.748) 15.398 1.890 ( -0.859 1.624 9.694) 9.867 2.232 ( -0.638 -0.225 -7.243) 7.274 2.380 ( 2.471 1.151 -2.733) 3.860 2.414 ( 1.244 -1.236 1.707) 2.447 2.538 ( 0.425 0.238 -6.779) 6.796 2.670 ( 2.615 -0.166 -6.682) 7.178 2.896 ( -0.773 -0.451 1.336) 1.608 3.001 ( -2.478 -0.528 6.021) 6.533 3.170 ( 2.665 0.588 -5.774) 6.387 3.246 ( -1.581 0.604 -3.164) 3.588 3.312 ( 1.703 -0.675 4.179) 4.563 3.370 ( -0.970 0.246 4.200) 4.318 3.468 ( -1.079 0.495 6.241) 6.353 3.613 ( -0.425 -1.815 -0.509) 1.933 3.724 ( -1.824 0.575 -1.457) 2.404 3.809 ( 0.582 0.385 -0.828) 1.083 3.821 ( 6.137 -0.817 -4.703) 7.775 3.847 ( 11.927 -0.821 -1.505) 12.050 3.998 ( 1.799 -1.219 1.373) 2.570 4.025 ( 1.722 -2.825 1.347) 3.572 4.337 ( 0.551 0.994 0.152) 1.147 4.546 ( -2.058 0.176 5.167) 5.564 4.622 ( -10.957 0.222 -5.666) 12.337 5.052 ( 11.519 1.232 -10.311) 15.508 7.616 ( -10.069 0.105 13.311) 16.691 7.914 ( -16.755 -0.019 1.226) 16.799 8.279 ( 0.574 0.195 -3.087) 3.146 8.284 ( 0.210 -0.464 -3.507) 3.544 8.429 ( -15.328 -0.139 -1.093) 15.368 8.624 ( -17.646 -0.156 -1.066) 17.679 8.844 ( 4.692 0.102 20.764) 21.288 9.770 ( -34.580 0.011 1.425) 34.609 9.903 ( 5.378 0.364 13.580) 14.611 10.239 ( -29.048 -0.689 -12.926) 31.801 10.834 ( -9.718 0.074 3.486) 10.324 11.023 ( 0.857 0.126 -14.462) 14.488 11.288 ( -10.800 -0.186 -11.144) 15.519 11.312 ( -2.413 -0.047 -2.919) 3.787 11.683 ( -1.791 -0.036 4.960) 5.274 12.042 ( 3.900 0.754 8.069) 8.994 12.323 ( 3.147 0.887 12.355) 12.780 12.434 ( -6.351 0.053 -15.921) 17.142 12.460 ( -1.659 0.020 -3.892) 4.230 12.656 ( -21.058 2.108 38.197) 43.667 13.207 ( 7.470 -4.602 -6.761) 11.077 13.981 ( -2.534 -0.069 16.526) 16.719 14.589 ( 5.152 -0.494 3.223) 6.097 14.681 ( -1.053 -0.214 -5.948) 6.044 14.918 ( 4.570 0.012 -4.196) 6.204 15.345 ( 3.170 -4.399 -33.793) 34.225 16.321 ( 5.367 -1.131 15.152) 16.114 16.704 ( 8.030 1.077 6.426) 10.340 16.830 ( 4.998 -0.628 -3.312) 6.028 17.366 ( 11.805 1.088 -10.499) 15.835 ======================= Grid point 153 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.710 ( -0.000 4.543 4.443) 6.355 1.037 ( -0.000 4.437 17.978) 18.517 1.215 ( 0.000 -0.927 -12.847) 12.881 1.450 ( -0.000 8.676 -0.134) 8.677 1.514 ( -0.000 4.145 -7.839) 8.868 1.764 ( 0.000 -2.119 16.125) 16.264 1.862 ( -0.000 3.328 10.123) 10.656 2.229 ( 0.000 -0.347 -7.068) 7.076 2.391 ( -0.000 1.120 -1.713) 2.047 2.440 ( 0.000 -1.309 -0.233) 1.329 2.539 ( -0.000 0.476 -7.871) 7.885 2.698 ( 0.000 -0.458 -7.714) 7.728 2.872 ( 0.000 -0.583 2.835) 2.894 2.999 ( 0.000 -1.353 5.844) 5.998 3.179 ( -0.000 0.759 -6.984) 7.025 3.227 ( -0.000 2.177 -0.055) 2.178 3.333 ( 0.000 -0.139 3.301) 3.304 3.370 ( 0.000 -1.329 3.586) 3.825 3.449 ( -0.000 1.421 7.045) 7.187 3.633 ( 0.000 -4.189 -0.332) 4.202 3.687 ( -0.000 0.003 -0.060) 0.060 3.810 ( 0.000 -0.152 0.465) 0.489 3.892 ( -0.000 1.467 -5.920) 6.099 4.010 ( -0.000 0.053 -3.185) 3.186 4.030 ( 0.000 -2.695 0.660) 2.774 4.077 ( 0.000 -7.111 -0.464) 7.126 4.332 ( -0.000 1.746 -0.060) 1.747 4.456 ( -0.000 1.755 -2.044) 2.694 4.553 ( 0.000 -1.655 4.032) 4.358 5.173 ( -0.000 2.190 -16.206) 16.354 7.518 ( -0.000 0.173 12.924) 12.925 7.750 ( 0.000 -0.030 1.195) 1.195 8.190 ( -0.000 0.087 0.488) 0.496 8.344 ( 0.000 -0.441 -3.549) 3.576 8.351 ( 0.000 -0.735 -6.037) 6.081 8.445 ( -0.000 0.158 0.459) 0.485 8.912 ( -0.000 0.319 22.393) 22.395 9.408 ( 0.000 -0.008 1.196) 1.196 9.849 ( -0.000 0.029 -9.258) 9.258 10.012 ( -0.000 0.096 14.661) 14.661 10.743 ( -0.000 0.101 3.218) 3.219 11.059 ( -0.000 0.128 -16.427) 16.427 11.165 ( 0.000 -0.176 -9.303) 9.305 11.291 ( 0.000 -0.119 -2.345) 2.348 11.667 ( 0.000 -0.073 4.710) 4.711 12.076 ( 0.000 -0.072 7.518) 7.518 12.342 ( -0.000 2.252 14.788) 14.959 12.377 ( -0.000 0.046 -16.999) 16.999 12.432 ( -0.000 3.264 40.768) 40.898 12.445 ( -0.000 0.027 -3.072) 3.072 13.316 ( 0.000 -5.463 -4.840) 7.299 13.958 ( 0.000 -0.029 15.913) 15.913 14.644 ( 0.000 -0.976 3.081) 3.231 14.667 ( 0.000 -0.074 -5.394) 5.394 14.961 ( 0.000 -0.060 -4.029) 4.029 15.435 ( 0.000 -9.014 -35.115) 36.253 16.386 ( 0.000 -2.356 14.976) 15.160 16.765 ( -0.000 2.035 6.401) 6.717 16.884 ( 0.000 -1.054 -3.407) 3.567 17.473 ( -0.000 1.578 -12.311) 12.412 ======================= Grid point 163 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.750 ( -0.000 0.000 3.620) 3.620 1.074 ( -0.000 0.000 17.500) 17.500 1.206 ( -0.000 0.000 -12.353) 12.353 1.528 ( -0.000 0.000 -3.091) 3.091 1.544 ( -0.000 0.000 -6.470) 6.470 1.745 ( -0.000 0.000 16.283) 16.283 1.894 ( -0.000 0.000 9.530) 9.530 2.225 ( -0.000 0.000 -6.983) 6.983 2.413 ( 0.000 -0.000 -4.543) 4.543 2.416 ( -0.000 0.000 2.860) 2.860 2.543 ( -0.000 0.000 -8.361) 8.361 2.695 ( -0.000 0.000 -7.087) 7.087 2.867 ( -0.000 0.000 3.100) 3.100 2.988 ( -0.000 0.000 5.419) 5.419 3.185 ( -0.000 0.000 -7.150) 7.150 3.247 ( -0.000 0.000 -2.196) 2.196 3.329 ( -0.000 0.000 6.790) 6.790 3.362 ( -0.000 0.000 4.014) 4.014 3.461 ( -0.000 0.000 7.137) 7.137 3.593 ( -0.000 0.000 -1.813) 1.813 3.687 ( -0.000 0.000 0.299) 0.299 3.809 ( -0.000 0.000 0.304) 0.304 3.902 ( -0.000 0.000 -6.629) 6.629 4.009 ( -0.000 0.000 0.747) 0.747 4.010 ( -0.000 0.000 -3.248) 3.248 4.015 ( -0.000 0.000 0.557) 0.557 4.347 ( -0.000 0.000 -0.089) 0.089 4.477 ( -0.000 0.000 -3.270) 3.270 4.534 ( -0.000 0.000 5.319) 5.319 5.191 ( -0.000 0.000 -15.869) 15.869 7.520 ( -0.000 0.000 12.913) 12.913 7.750 ( -0.000 0.000 1.212) 1.212 8.191 ( -0.000 0.000 0.490) 0.490 8.341 ( -0.000 0.000 -3.314) 3.314 8.344 ( -0.000 0.000 -6.481) 6.481 8.447 ( -0.000 0.000 0.449) 0.449 8.915 ( -0.000 0.000 22.721) 22.721 9.408 ( -0.000 0.000 1.192) 1.192 9.849 ( -0.000 0.000 -9.270) 9.270 10.013 ( -0.000 0.000 15.139) 15.139 10.744 ( -0.000 0.000 3.204) 3.204 11.061 ( -0.000 0.000 -18.478) 18.478 11.164 ( -0.000 0.000 -9.237) 9.237 11.290 ( -0.000 0.000 -2.402) 2.402 11.666 ( -0.000 0.000 4.718) 4.718 12.075 ( -0.000 0.000 7.499) 7.499 12.355 ( -0.000 0.000 11.993) 11.993 12.378 ( -0.000 0.000 -17.009) 17.009 12.445 ( -0.000 0.000 -3.087) 3.087 12.470 ( -0.000 0.000 46.665) 46.665 13.267 ( -0.000 0.000 -9.707) 9.707 13.958 ( -0.000 0.000 15.909) 15.909 14.634 ( -0.000 0.000 2.786) 2.786 14.666 ( -0.000 0.000 -5.389) 5.389 14.961 ( -0.000 0.000 -3.841) 3.841 15.358 ( -0.000 0.000 -36.001) 36.001 16.366 ( -0.000 0.000 15.302) 15.302 16.782 ( -0.000 0.000 6.373) 6.373 16.875 ( -0.000 0.000 -3.300) 3.300 17.486 ( -0.000 0.000 -11.773) 11.773 ======================= Grid point 210 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.620 ( 0.000 0.000 14.226) 14.226 0.634 ( 0.000 0.000 16.870) 16.870 0.851 ( 0.000 0.000 -10.603) 10.603 0.942 ( 0.000 0.000 -16.508) 16.508 1.585 ( 0.000 0.000 33.598) 33.598 1.995 ( 0.000 0.000 14.596) 14.596 2.073 ( 0.000 0.000 -17.703) 17.703 2.176 ( 0.000 0.000 12.686) 12.686 2.240 ( 0.000 0.000 -11.328) 11.328 2.376 ( 0.000 0.000 -8.661) 8.661 2.527 ( 0.000 0.000 3.159) 3.159 2.644 ( 0.000 0.000 -10.252) 10.252 2.972 ( 0.000 0.000 1.936) 1.936 3.023 ( 0.000 0.000 -3.581) 3.581 3.041 ( 0.000 0.000 2.074) 2.074 3.088 ( 0.000 0.000 -2.666) 2.666 3.256 ( 0.000 0.000 3.770) 3.770 3.337 ( 0.000 0.000 -4.600) 4.600 3.454 ( 0.000 0.000 7.149) 7.149 3.583 ( 0.000 0.000 -6.525) 6.525 3.838 ( 0.000 0.000 -0.083) 0.083 3.843 ( 0.000 0.000 -0.394) 0.394 3.876 ( 0.000 0.000 3.489) 3.489 3.946 ( 0.000 0.000 -3.810) 3.810 4.369 ( 0.000 0.000 0.638) 0.638 4.376 ( 0.000 0.000 -0.234) 0.234 4.428 ( 0.000 0.000 1.113) 1.113 4.449 ( 0.000 0.000 -0.969) 0.969 4.619 ( 0.000 0.000 1.735) 1.735 4.651 ( 0.000 0.000 -1.700) 1.700 7.727 ( 0.000 0.000 7.512) 7.512 7.773 ( 0.000 0.000 0.617) 0.617 8.253 ( 0.000 0.000 7.886) 7.886 8.366 ( 0.000 0.000 -0.456) 0.456 8.376 ( 0.000 0.000 -1.218) 1.218 8.400 ( 0.000 0.000 -5.223) 5.223 9.307 ( 0.000 0.000 25.504) 25.504 9.463 ( 0.000 0.000 5.514) 5.514 9.633 ( 0.000 0.000 -12.167) 12.167 9.788 ( 0.000 0.000 -25.489) 25.489 10.829 ( 0.000 0.000 6.795) 6.795 10.985 ( 0.000 0.000 -9.980) 9.980 11.215 ( 0.000 0.000 1.608) 1.608 11.252 ( 0.000 0.000 -2.228) 2.228 11.808 ( 0.000 0.000 10.204) 10.204 12.052 ( 0.000 0.000 -16.063) 16.063 12.233 ( 0.000 0.000 7.969) 7.969 12.311 ( 0.000 0.000 13.264) 13.264 12.362 ( 0.000 0.000 -5.766) 5.766 12.533 ( 0.000 0.000 -10.366) 10.366 14.269 ( 0.000 0.000 15.921) 15.921 14.521 ( 0.000 0.000 -11.025) 11.025 14.775 ( 0.000 0.000 5.822) 5.822 14.889 ( 0.000 0.000 -6.095) 6.095 15.780 ( 0.000 0.000 0.747) 0.747 15.789 ( 0.000 0.000 -0.230) 0.230 16.536 ( 0.000 0.000 3.260) 3.260 16.596 ( 0.000 0.000 -3.043) 3.043 16.877 ( 0.000 0.000 2.827) 2.827 16.933 ( 0.000 0.000 -3.002) 3.002 ======================= Grid point 211 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.701 ( 6.198 -4.157 13.117) 15.091 0.894 ( 12.342 -1.914 0.498) 12.500 0.953 ( 16.758 -2.404 0.677) 16.943 1.151 ( 18.651 -0.648 -12.618) 22.528 1.661 ( 8.500 0.394 31.032) 32.178 1.984 ( -0.733 0.191 13.380) 13.401 2.108 ( 3.748 0.750 -15.014) 15.493 2.204 ( 1.853 -0.020 6.600) 6.855 2.222 ( -0.757 0.404 -6.642) 6.697 2.384 ( 0.545 0.104 -8.014) 8.034 2.457 ( -4.850 0.139 4.487) 6.609 2.594 ( -3.630 1.335 -11.443) 12.079 3.018 ( -0.085 -0.958 1.168) 1.513 3.042 ( 2.370 2.731 -0.748) 3.693 3.085 ( 3.873 -1.772 -1.033) 4.383 3.115 ( 1.950 -3.709 -3.159) 5.248 3.234 ( -1.732 -0.406 4.073) 4.444 3.319 ( -1.500 0.076 -4.840) 5.067 3.480 ( 2.121 -0.684 6.089) 6.484 3.585 ( -0.163 -0.515 -4.995) 5.024 3.779 ( -6.028 0.296 0.843) 6.094 3.797 ( -3.291 0.137 -1.153) 3.489 3.890 ( 0.558 0.379 2.620) 2.705 3.935 ( -1.260 0.403 -1.959) 2.363 4.291 ( -5.334 2.665 2.003) 6.290 4.319 ( -6.610 -0.233 -0.537) 6.636 4.409 ( -0.724 2.079 1.412) 2.615 4.453 ( 1.487 1.559 -2.835) 3.560 4.641 ( 2.240 -0.974 1.991) 3.151 4.672 ( 1.883 -1.806 -1.218) 2.879 7.852 ( 12.483 0.003 10.055) 16.029 7.935 ( 16.163 0.069 -0.497) 16.171 8.268 ( 0.821 0.191 -0.147) 0.856 8.283 ( -3.460 0.190 -0.965) 3.597 8.502 ( 16.194 0.416 5.236) 17.025 8.619 ( 17.758 0.545 -5.803) 18.690 9.248 ( -3.740 -0.270 26.743) 27.005 9.752 ( -3.876 -0.393 -22.732) 23.064 9.836 ( 34.139 0.074 5.157) 34.526 9.996 ( 32.301 0.534 -14.534) 35.424 10.916 ( 9.052 -0.019 5.907) 10.809 11.019 ( 3.629 0.070 -4.861) 6.067 11.239 ( 3.587 1.022 -2.092) 4.276 11.256 ( 0.850 0.048 -2.852) 2.976 11.832 ( 2.689 0.047 10.819) 11.148 12.058 ( -3.923 -0.288 -4.801) 6.206 12.157 ( 0.057 -1.046 1.646) 1.951 12.329 ( -3.351 -0.476 -7.593) 8.314 12.350 ( 0.077 -1.208 7.940) 8.032 12.513 ( -2.866 -1.549 -8.293) 8.910 14.307 ( 3.970 0.043 16.152) 16.632 14.555 ( 3.467 0.094 -10.544) 11.100 14.721 ( -5.713 0.423 5.940) 8.252 14.836 ( -5.802 0.322 -6.112) 8.434 15.524 ( -2.588 31.109 12.782) 33.732 15.746 ( -7.155 5.706 -11.876) 14.993 16.495 ( -5.970 -4.114 5.547) 9.129 16.601 ( -6.539 -11.217 -6.206) 14.391 16.793 ( -7.939 1.282 4.525) 9.228 16.876 ( -5.641 0.378 -4.216) 7.052 ======================= Grid point 212 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.887 ( 9.131 -5.102 11.487) 15.536 1.080 ( 9.149 -3.439 -8.733) 13.107 1.324 ( 15.291 -2.339 11.904) 19.519 1.503 ( 16.539 -1.190 -8.419) 18.597 1.860 ( 9.958 2.077 17.802) 20.503 1.996 ( 5.039 0.335 13.310) 14.236 2.128 ( -2.789 0.989 -10.161) 10.584 2.230 ( 5.090 2.161 -7.696) 9.476 2.270 ( 4.045 -0.142 5.510) 6.837 2.370 ( -1.444 -0.640 -3.721) 4.043 2.413 ( -0.565 -0.752 1.378) 1.669 2.525 ( -2.118 0.866 -11.263) 11.494 2.988 ( -3.150 -0.816 0.953) 3.390 3.017 ( -3.534 0.889 -1.987) 4.150 3.140 ( 1.261 0.381 1.889) 2.303 3.188 ( 1.566 -1.830 -3.068) 3.901 3.251 ( 3.145 -1.756 2.099) 4.169 3.310 ( 1.266 -0.373 -3.803) 4.026 3.524 ( 1.549 -0.721 4.015) 4.363 3.581 ( -1.280 -0.881 -1.638) 2.258 3.642 ( -8.014 0.143 3.622) 8.796 3.727 ( -4.102 -0.042 -4.739) 6.268 3.874 ( -1.572 1.215 1.308) 2.379 3.894 ( -2.208 0.936 -0.721) 2.504 4.164 ( -5.780 2.902 1.684) 6.684 4.192 ( -5.519 1.627 -0.838) 5.815 4.373 ( -0.753 2.045 3.174) 3.850 4.460 ( -0.113 0.382 -5.680) 5.694 4.719 ( 5.073 -0.968 3.029) 5.987 4.757 ( 5.234 -2.224 -0.916) 5.760 8.126 ( 15.174 -0.083 12.628) 19.742 8.244 ( 0.285 0.162 -0.230) 0.401 8.292 ( 19.195 0.187 -1.777) 19.278 8.296 ( 4.024 0.593 -2.179) 4.614 8.922 ( 25.987 0.504 5.980) 26.671 9.037 ( 27.766 1.158 -6.117) 28.456 9.197 ( 0.536 -0.298 25.511) 25.518 9.658 ( -6.240 -0.696 -18.331) 19.377 10.525 ( 34.460 0.599 0.406) 34.468 10.537 ( 22.195 0.706 -1.360) 22.248 11.126 ( 12.774 0.469 0.847) 12.810 11.162 ( 14.223 -0.201 -2.399) 14.425 11.305 ( 6.992 0.532 -2.631) 7.489 11.348 ( 7.782 0.374 -7.646) 10.916 11.912 ( 3.864 -0.045 11.097) 11.751 11.936 ( -4.408 -2.208 11.202) 12.239 12.252 ( -1.642 -1.851 -5.967) 6.460 12.291 ( 2.491 -3.200 -9.749) 10.559 12.338 ( 2.383 -0.171 0.575) 2.457 12.459 ( -3.622 -0.981 -7.382) 8.281 14.405 ( 6.372 0.337 15.645) 16.896 14.543 ( -11.514 0.986 4.719) 12.483 14.636 ( 2.792 0.597 -7.000) 7.560 14.658 ( -12.704 1.170 -4.646) 13.577 15.292 ( 4.285 25.497 9.339) 27.490 15.529 ( -5.307 13.445 -15.339) 21.077 16.378 ( -10.942 -4.948 7.279) 14.042 16.511 ( -12.564 -8.911 -6.163) 16.591 16.594 ( -11.755 1.002 6.857) 13.645 16.730 ( -9.314 1.180 -6.682) 11.523 ======================= Grid point 213 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.108 ( 10.346 -4.555 9.908) 15.032 1.285 ( 9.864 -3.191 -8.895) 13.660 1.553 ( 8.792 -1.344 16.275) 18.546 1.743 ( 7.938 -1.695 -5.162) 9.620 1.907 ( -0.306 -0.801 5.758) 5.821 2.055 ( -3.752 -0.024 -9.179) 9.916 2.101 ( 1.545 4.925 7.894) 9.432 2.239 ( -0.717 4.823 -5.260) 7.173 2.383 ( 5.123 -0.418 1.052) 5.247 2.398 ( 1.657 -1.223 0.491) 2.117 2.441 ( 5.855 -1.591 1.642) 6.285 2.530 ( 3.658 0.307 -6.834) 7.757 2.921 ( -3.886 1.362 1.108) 4.264 2.946 ( -1.752 -0.167 -1.377) 2.235 3.154 ( 0.550 -0.340 2.310) 2.399 3.201 ( -0.802 -1.503 -2.213) 2.793 3.341 ( 4.465 -0.838 0.755) 4.605 3.361 ( 3.054 -0.397 -0.772) 3.175 3.458 ( -9.379 0.777 6.722) 11.565 3.549 ( -4.338 1.108 -2.162) 4.971 3.556 ( 0.228 -1.144 3.239) 3.443 3.672 ( -1.526 -1.806 -8.543) 8.864 3.827 ( -2.051 1.080 1.174) 2.598 3.849 ( -1.645 0.858 -1.010) 2.112 4.043 ( -4.605 2.885 2.387) 5.936 4.089 ( -3.717 3.065 -2.384) 5.375 4.357 ( 0.220 0.781 3.453) 3.547 4.448 ( -1.101 -0.729 -6.078) 6.220 4.831 ( 5.868 -0.767 4.002) 7.144 4.879 ( 5.265 -2.491 -0.955) 5.902 8.251 ( 1.308 0.185 1.476) 1.981 8.276 ( 2.602 0.080 -0.531) 2.656 8.505 ( 17.112 0.292 10.479) 20.068 8.624 ( 15.060 -0.065 -1.959) 15.187 9.067 ( -2.104 0.236 23.134) 23.231 9.446 ( 0.864 0.173 -14.667) 14.693 9.588 ( 32.423 0.308 5.124) 32.827 9.681 ( 23.403 0.399 -2.042) 23.496 10.749 ( 5.927 0.856 6.957) 9.179 10.927 ( 9.165 0.731 -7.483) 11.855 11.336 ( 8.345 -0.676 0.485) 8.386 11.427 ( 2.772 -1.025 2.092) 3.621 11.522 ( 15.147 0.069 -5.612) 16.154 11.564 ( 17.571 -0.624 -12.649) 21.660 11.857 ( -0.714 -2.518 11.570) 11.862 12.061 ( 0.831 -2.633 -7.885) 8.355 12.242 ( 0.234 -0.416 5.095) 5.117 12.307 ( 8.075 -2.541 2.415) 8.803 12.470 ( 9.704 0.491 -4.132) 10.559 12.579 ( 16.708 -0.525 -10.159) 19.561 14.247 ( -19.047 1.073 4.654) 19.636 14.344 ( -17.866 2.471 -5.315) 18.803 14.525 ( 5.187 0.550 13.433) 14.410 14.650 ( -0.727 2.652 -0.366) 2.774 15.270 ( 11.280 14.986 0.378) 18.761 15.389 ( 2.356 12.221 -11.030) 16.630 16.182 ( -13.746 -3.548 8.422) 16.507 16.297 ( -13.887 -1.400 4.405) 14.636 16.372 ( -13.942 -3.990 -1.242) 14.555 16.522 ( -11.891 1.562 -8.789) 14.868 ======================= Grid point 214 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.336 ( 10.416 -3.809 7.607) 13.449 1.479 ( 7.777 -2.074 -7.386) 10.924 1.689 ( 5.826 0.233 15.544) 16.602 1.815 ( -0.932 -1.543 3.466) 3.907 1.914 ( -1.159 -2.458 1.931) 3.334 1.984 ( -4.060 2.300 -5.275) 7.042 2.037 ( -1.409 1.540 -4.274) 4.757 2.136 ( -4.303 5.713 -8.601) 11.186 2.408 ( -0.794 -1.114 2.443) 2.800 2.436 ( 0.773 -1.284 -0.524) 1.588 2.585 ( 5.161 -1.236 1.172) 5.435 2.617 ( 4.374 1.246 -1.814) 4.896 2.884 ( 2.052 0.721 5.405) 5.826 2.974 ( 4.717 0.058 -3.947) 6.151 3.170 ( 0.648 -0.742 1.770) 2.026 3.193 ( -1.503 -1.174 0.699) 2.032 3.269 ( -8.519 1.617 7.520) 11.478 3.385 ( -4.990 1.174 -3.020) 5.949 3.418 ( 2.049 0.114 0.016) 2.052 3.435 ( -0.246 0.799 -1.936) 2.109 3.579 ( 0.746 -1.207 3.488) 3.766 3.691 ( 0.753 -2.079 -8.172) 8.466 3.790 ( -1.310 0.039 2.044) 2.428 3.824 ( -0.648 0.172 -1.478) 1.623 3.951 ( -2.868 2.167 2.682) 4.485 4.008 ( -2.152 2.888 -3.425) 4.970 4.362 ( 0.550 0.173 2.127) 2.203 4.435 ( -0.954 -0.693 -5.372) 5.499 4.929 ( 3.835 -0.458 4.344) 5.813 4.977 ( 3.080 -1.900 -0.664) 3.680 8.278 ( 1.477 0.108 1.460) 2.079 8.308 ( 1.168 0.039 -1.718) 2.078 8.799 ( 12.427 0.421 11.496) 16.934 8.840 ( 9.713 -0.496 4.782) 10.838 9.030 ( -0.764 0.199 15.857) 15.877 9.318 ( -9.678 -0.366 -9.454) 13.534 10.135 ( 25.083 0.598 5.223) 25.628 10.187 ( 24.779 1.123 0.750) 24.816 10.830 ( 4.740 0.885 1.197) 4.969 10.988 ( 0.126 0.299 -12.191) 12.196 11.369 ( -5.817 -1.928 1.068) 6.220 11.386 ( -6.636 -2.129 -1.156) 7.064 11.697 ( 5.367 -0.137 1.408) 5.551 11.751 ( 2.667 -0.185 -4.122) 4.913 11.940 ( 2.478 -1.080 2.423) 3.630 12.012 ( -4.712 -2.554 -3.908) 6.633 12.379 ( 16.333 -0.042 -1.207) 16.377 12.504 ( 10.381 -0.019 -13.309) 16.879 12.895 ( 25.357 -0.489 0.021) 25.362 12.906 ( 19.870 -0.764 -1.340) 19.930 13.847 ( -22.351 0.828 4.081) 22.735 13.961 ( -20.950 1.843 -7.489) 22.324 14.581 ( 1.100 1.999 7.942) 8.263 14.600 ( -0.681 2.067 6.042) 6.422 15.391 ( 4.957 6.315 0.466) 8.042 15.413 ( 12.629 7.545 -2.705) 14.958 15.965 ( -10.469 -1.142 9.974) 14.505 16.092 ( -7.169 0.725 6.329) 9.590 16.147 ( -13.540 -4.905 -6.906) 15.972 16.283 ( -12.109 1.118 -9.810) 15.624 ======================= Grid point 215 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.512 ( -0.000 0.000 2.466) 2.466 1.528 ( 0.000 -0.000 1.379) 1.379 1.777 ( -0.000 -0.000 9.900) 9.900 1.779 ( 0.000 0.000 11.112) 11.112 1.895 ( 0.000 -0.000 -2.748) 2.748 1.919 ( -0.000 0.000 -1.933) 1.933 2.030 ( 0.000 -0.000 -10.014) 10.014 2.057 ( 0.000 0.000 -8.986) 8.986 2.403 ( 0.000 -0.000 3.327) 3.327 2.448 ( 0.000 -0.000 -1.390) 1.390 2.639 ( 0.000 -0.000 0.320) 0.320 2.643 ( 0.000 0.000 -0.199) 0.199 2.945 ( -0.000 -0.000 6.625) 6.625 3.037 ( 0.000 -0.000 -0.695) 0.695 3.149 ( 0.000 -0.000 5.689) 5.689 3.186 ( 0.000 -0.000 0.512) 0.512 3.199 ( 0.000 -0.000 -0.515) 0.515 3.269 ( 0.000 -0.000 -4.630) 4.630 3.439 ( 0.000 -0.000 0.739) 0.739 3.453 ( 0.000 -0.000 -0.770) 0.770 3.594 ( 0.000 -0.000 3.937) 3.937 3.709 ( 0.000 -0.000 -7.858) 7.858 3.778 ( 0.000 0.000 2.524) 2.524 3.818 ( 0.000 -0.000 -1.761) 1.761 3.913 ( 0.000 -0.000 2.731) 2.731 3.974 ( 0.000 0.000 -3.888) 3.888 4.368 ( 0.000 -0.000 1.278) 1.278 4.428 ( 0.000 -0.000 -4.887) 4.887 4.968 ( 0.000 -0.000 4.417) 4.417 5.014 ( 0.000 -0.000 -0.499) 0.499 8.293 ( 0.000 -0.000 1.185) 1.185 8.319 ( 0.000 -0.000 -1.488) 1.488 8.889 ( 0.000 -0.000 17.189) 17.189 8.961 ( 0.000 -0.000 15.059) 15.059 9.103 ( 0.000 -0.000 -4.158) 4.158 9.143 ( 0.000 -0.000 -3.341) 3.341 10.403 ( 0.000 -0.000 6.609) 6.609 10.427 ( 0.000 -0.000 4.474) 4.474 10.923 ( 0.000 0.000 -8.965) 8.965 10.944 ( -0.000 -0.000 -11.408) 11.408 11.292 ( 0.000 -0.000 0.347) 0.347 11.296 ( -0.000 -0.000 -0.003) 0.003 11.756 ( -0.000 -0.000 -1.065) 1.065 11.757 ( 0.000 -0.000 -1.161) 1.161 11.957 ( 0.000 0.000 1.201) 1.201 11.975 ( -0.000 -0.000 -0.568) 0.568 12.601 ( 0.000 -0.000 -8.953) 8.953 12.612 ( -0.000 -0.000 -9.998) 9.998 13.189 ( 0.001 -0.000 3.418) 3.418 13.189 ( -0.001 0.000 3.128) 3.128 13.605 ( -0.000 0.000 -5.173) 5.173 13.620 ( 0.000 -0.000 -6.593) 6.593 14.576 ( 0.000 -0.000 6.785) 6.785 14.585 ( 0.000 -0.000 5.864) 5.864 15.416 ( 0.000 0.000 10.126) 10.126 15.524 ( 0.000 -0.000 0.462) 0.462 15.870 ( 0.000 -0.000 7.670) 7.670 15.995 ( 0.000 -0.000 0.216) 0.216 16.090 ( -0.000 -0.000 -5.307) 5.307 16.104 ( 0.000 -0.000 -10.826) 10.826 ======================= Grid point 222 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.843 ( 10.281 0.000 12.656) 16.306 1.050 ( 9.770 0.000 -9.123) 13.367 1.304 ( 15.787 0.000 12.215) 19.961 1.493 ( 16.492 0.000 -9.179) 18.874 1.878 ( 8.563 0.000 18.458) 20.347 2.001 ( 7.452 0.000 14.378) 16.194 2.134 ( -3.884 -0.000 -9.580) 10.337 2.249 ( 7.852 0.000 -7.237) 10.678 2.271 ( 2.905 0.000 5.735) 6.429 2.363 ( -2.606 -0.000 -2.526) 3.629 2.407 ( -0.184 -0.000 0.577) 0.606 2.535 ( -2.670 -0.000 -13.790) 14.046 2.977 ( -2.720 -0.000 1.898) 3.317 3.026 ( -3.950 -0.000 -3.085) 5.012 3.152 ( 0.805 0.000 0.329) 0.870 3.159 ( 2.763 0.000 -0.798) 2.876 3.239 ( 3.748 0.000 2.057) 4.275 3.308 ( 0.969 0.000 -4.523) 4.625 3.517 ( 1.835 0.000 3.989) 4.390 3.573 ( -1.039 -0.000 -1.567) 1.880 3.643 ( -8.150 -0.000 3.445) 8.848 3.726 ( -4.356 -0.000 -4.738) 6.436 3.884 ( -1.529 -0.000 1.220) 1.956 3.902 ( -2.439 -0.000 -0.591) 2.510 4.193 ( -6.494 -0.000 1.002) 6.571 4.202 ( -4.748 -0.000 0.167) 4.751 4.393 ( -1.490 -0.000 2.624) 3.017 4.466 ( -0.935 -0.000 -4.983) 5.070 4.710 ( 5.397 0.000 2.403) 5.908 4.737 ( 5.500 0.000 -0.333) 5.510 8.126 ( 15.088 0.000 12.632) 19.678 8.245 ( 0.322 0.000 -0.311) 0.447 8.293 ( 19.356 0.000 -1.648) 19.426 8.301 ( 3.734 0.000 -2.191) 4.329 8.926 ( 25.969 0.000 6.232) 26.707 9.047 ( 27.876 0.000 -6.606) 28.648 9.195 ( 0.547 0.000 25.633) 25.639 9.652 ( -6.202 -0.000 -18.063) 19.098 10.531 ( 35.188 0.000 0.468) 35.191 10.543 ( 21.256 0.000 -1.380) 21.301 11.131 ( 12.697 0.000 0.887) 12.728 11.160 ( 14.185 0.000 -3.501) 14.611 11.309 ( 6.925 0.000 -2.067) 7.227 11.351 ( 7.123 0.000 -7.702) 10.491 11.909 ( -8.040 -0.000 12.321) 14.712 11.919 ( 7.261 0.000 10.978) 13.162 12.237 ( -5.376 -0.000 -8.779) 10.294 12.260 ( 4.234 0.000 -6.617) 7.856 12.338 ( 3.981 0.000 -0.724) 4.046 12.452 ( -2.384 -0.000 -7.333) 7.711 14.407 ( 6.555 0.000 15.845) 17.148 14.550 ( -11.739 -0.000 4.995) 12.758 14.640 ( 3.535 0.000 -7.475) 8.268 14.668 ( -12.740 -0.000 -5.560) 13.900 15.557 ( -7.688 -0.000 0.444) 7.701 15.636 ( -3.423 -0.000 -8.305) 8.982 16.332 ( -9.501 -0.000 4.505) 10.515 16.405 ( -9.904 -0.000 -3.201) 10.408 16.607 ( -12.362 -0.000 7.521) 14.471 16.741 ( -9.183 -0.000 -6.587) 11.301 ======================= Grid point 223 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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 ( 11.528 -1.689 11.164) 16.136 1.246 ( 10.539 -1.277 -9.117) 13.993 1.536 ( 10.001 -0.574 15.740) 18.657 1.723 ( 8.027 -0.664 -5.883) 9.974 1.899 ( -1.181 -0.192 6.534) 6.643 2.052 ( -4.273 -0.155 -8.811) 9.794 2.169 ( 1.516 2.567 9.492) 9.949 2.287 ( -0.523 1.093 -1.815) 2.182 2.382 ( 2.095 -0.395 0.743) 2.258 2.384 ( 4.454 0.054 0.724) 4.513 2.423 ( 5.755 -0.536 1.204) 5.904 2.540 ( 5.119 0.635 -10.504) 11.702 2.937 ( -3.270 0.499 -0.190) 3.314 2.941 ( -1.889 -0.240 -0.514) 1.972 3.153 ( 0.161 0.151 1.502) 1.518 3.179 ( -0.476 -0.938 -0.855) 1.356 3.329 ( 4.930 -0.404 0.375) 4.961 3.355 ( 3.263 -0.287 -1.382) 3.555 3.468 ( -9.014 0.410 7.449) 11.700 3.541 ( 0.265 -0.548 2.265) 2.346 3.566 ( -1.514 0.748 -1.566) 2.303 3.641 ( -4.783 -1.336 -8.618) 9.946 3.841 ( -2.432 0.444 0.687) 2.566 3.855 ( -2.328 0.054 -0.766) 2.451 4.079 ( -5.207 1.210 2.704) 5.990 4.125 ( -3.444 1.119 -2.072) 4.172 4.372 ( -0.317 0.640 2.082) 2.201 4.440 ( -1.516 -0.235 -5.125) 5.350 4.823 ( 6.347 -0.156 2.632) 6.873 4.846 ( 5.426 -1.180 0.261) 5.559 8.253 ( 1.159 0.070 1.429) 1.841 8.276 ( 2.716 0.002 -0.305) 2.733 8.509 ( 16.877 0.122 10.041) 19.639 8.623 ( 14.871 -0.009 -1.867) 14.988 9.070 ( -2.113 0.115 23.333) 23.429 9.449 ( -1.020 0.114 -14.581) 14.617 9.592 ( 32.692 0.155 5.485) 33.150 9.687 ( 25.379 0.233 -1.982) 25.458 10.758 ( 5.884 0.303 7.039) 9.180 10.936 ( 9.004 0.273 -7.435) 11.681 11.329 ( 7.721 -0.156 0.274) 7.727 11.413 ( 1.332 -0.528 3.132) 3.444 11.526 ( 13.299 0.262 -4.046) 13.903 11.553 ( 18.854 -0.470 -15.052) 24.130 11.828 ( 0.476 -0.942 10.819) 10.870 12.027 ( -1.829 -1.191 -8.567) 8.841 12.239 ( -0.289 -0.084 4.514) 4.524 12.279 ( 14.211 -0.833 4.717) 14.997 12.476 ( 8.906 0.202 -4.654) 10.051 12.573 ( 16.521 -0.182 -9.977) 19.301 14.259 ( -19.216 0.356 5.257) 19.925 14.370 ( -18.521 0.760 -6.354) 19.595 14.531 ( 5.918 0.192 14.052) 15.248 14.678 ( -0.155 0.791 -1.749) 1.925 15.453 ( 1.402 5.983 0.494) 6.165 15.563 ( -1.398 6.691 -9.984) 12.100 16.147 ( -10.413 0.001 3.879) 11.112 16.221 ( -12.291 -5.153 -2.732) 13.605 16.356 ( -14.330 0.280 9.657) 17.283 16.542 ( -11.903 0.726 -9.026) 14.956 ======================= Grid point 224 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.284 ( 11.327 -2.329 8.870) 14.574 1.445 ( 9.136 -1.728 -8.175) 12.380 1.692 ( 6.452 0.064 15.101) 16.422 1.793 ( -0.844 -0.988 2.792) 3.079 1.879 ( -1.551 -1.398 1.639) 2.655 1.996 ( -2.589 -0.185 -10.937) 11.241 2.087 ( -4.101 3.395 3.394) 6.314 2.217 ( -4.336 3.591 -8.106) 9.869 2.383 ( -0.929 -1.443 2.008) 2.642 2.413 ( 0.468 -1.455 -0.917) 1.783 2.579 ( 6.063 0.340 2.952) 6.752 2.645 ( 4.598 1.635 -3.263) 5.871 2.897 ( 1.716 0.700 5.008) 5.339 2.980 ( 5.066 0.536 -3.608) 6.242 3.160 ( 0.232 -0.400 1.807) 1.865 3.173 ( -0.849 -1.127 1.177) 1.837 3.292 ( -8.460 1.110 7.475) 11.343 3.398 ( -0.304 0.431 -1.526) 1.615 3.416 ( 2.639 -0.246 0.065) 2.651 3.459 ( -4.632 2.019 -4.591) 6.827 3.558 ( 0.416 -0.948 1.961) 2.217 3.624 ( -0.821 -4.651 -5.458) 7.218 3.802 ( -1.121 0.624 0.768) 1.495 3.822 ( -1.347 -0.361 -1.147) 1.806 3.984 ( -3.805 1.515 3.478) 5.373 4.053 ( -2.796 2.178 -3.880) 5.255 4.371 ( 0.641 0.722 0.844) 1.282 4.421 ( -0.963 -0.839 -4.452) 4.632 4.925 ( 4.096 -0.079 3.069) 5.119 4.949 ( 4.465 -1.306 0.464) 4.675 8.280 ( 1.499 0.097 1.344) 2.016 8.307 ( 0.911 -0.110 -1.546) 1.798 8.808 ( 13.083 0.574 9.796) 16.354 8.832 ( 9.294 -0.505 5.324) 10.722 9.033 ( -1.089 0.094 16.618) 16.654 9.313 ( -9.530 -0.203 -8.474) 12.755 10.144 ( 25.246 0.478 5.712) 25.888 10.204 ( 24.497 0.822 0.502) 24.516 10.842 ( 4.713 0.543 0.746) 4.803 10.992 ( -0.570 0.144 -12.138) 12.152 11.343 ( -5.760 -1.027 1.110) 5.956 11.355 ( -6.014 -1.499 -0.791) 6.248 11.695 ( 5.574 -0.076 1.358) 5.737 11.749 ( 3.092 -0.104 -4.058) 5.103 11.926 ( 3.801 -0.543 1.122) 4.000 11.978 ( -2.547 -1.482 -3.102) 4.278 12.378 ( 16.095 -0.058 -1.192) 16.140 12.504 ( 10.091 -0.039 -13.129) 16.559 12.889 ( 24.153 -0.198 -0.471) 24.158 12.895 ( 21.009 -0.554 -1.202) 21.051 13.858 ( -22.702 0.541 4.831) 23.217 13.986 ( -21.642 1.080 -8.078) 23.126 14.601 ( 1.354 0.649 8.956) 9.081 14.631 ( -2.735 1.425 5.456) 6.268 15.473 ( -2.184 3.502 2.464) 4.807 15.509 ( 5.296 3.414 -1.755) 6.541 15.964 ( -8.586 0.607 4.452) 9.690 16.080 ( -5.810 -2.212 -8.379) 10.434 16.102 ( -10.622 0.084 10.081) 14.645 16.306 ( -12.300 1.210 -10.231) 16.045 ======================= Grid point 225 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.486 ( 7.269 -1.823 4.510) 8.746 1.548 ( -1.160 1.125 -1.480) 2.191 1.752 ( -3.750 -1.714 10.669) 11.438 1.771 ( 3.270 -1.405 8.754) 9.450 1.888 ( 2.294 -1.559 -0.047) 2.774 1.915 ( -4.741 0.834 -7.285) 8.732 2.032 ( -0.349 1.057 -5.856) 5.961 2.110 ( -2.839 4.370 -8.187) 9.705 2.389 ( 0.394 -1.401 3.216) 3.530 2.439 ( 0.914 -1.109 -1.843) 2.337 2.635 ( 1.028 0.475 2.012) 2.309 2.668 ( 0.175 1.725 -1.131) 2.070 2.957 ( 0.968 1.478 6.909) 7.131 3.042 ( 0.368 0.247 1.464) 1.529 3.149 ( 0.685 0.302 3.148) 3.236 3.187 ( 1.327 0.053 0.182) 1.340 3.200 ( -0.489 0.185 -0.151) 0.544 3.271 ( -4.455 0.256 -5.201) 6.853 3.440 ( -0.085 0.081 0.907) 0.915 3.456 ( -0.064 0.343 -0.767) 0.843 3.579 ( 0.508 -1.475 2.736) 3.149 3.651 ( -1.086 -5.071 -3.994) 6.545 3.795 ( 0.937 0.610 0.025) 1.118 3.812 ( -0.286 -0.739 -1.178) 1.420 3.920 ( -1.736 0.784 3.154) 3.685 3.992 ( -1.775 1.847 -4.610) 5.274 4.374 ( 0.184 0.704 0.603) 0.945 4.422 ( 0.419 -0.660 -4.303) 4.374 4.968 ( 0.443 -0.009 4.548) 4.570 5.016 ( 1.934 0.219 -0.677) 2.061 8.295 ( -0.052 0.180 0.932) 0.950 8.315 ( -0.163 -0.370 -1.245) 1.309 8.893 ( 0.367 0.465 17.219) 17.229 8.958 ( -0.835 -0.347 15.158) 15.185 9.107 ( 0.901 0.440 -4.176) 4.295 9.140 ( -0.069 -0.444 -3.426) 3.456 10.406 ( -1.236 0.302 6.392) 6.517 10.425 ( -1.281 -0.232 4.668) 4.846 10.918 ( -5.853 -0.401 -8.727) 10.516 10.949 ( 4.611 0.441 -11.669) 12.555 11.294 ( 2.670 0.211 0.371) 2.703 11.297 ( 3.196 0.174 0.050) 3.201 11.756 ( 1.305 0.012 -1.029) 1.661 11.758 ( -1.196 0.067 -1.213) 1.705 11.957 ( 0.326 0.006 1.260) 1.301 11.976 ( 2.431 0.131 -0.610) 2.510 12.601 ( 0.322 0.027 -9.058) 9.063 12.610 ( 0.193 -0.197 -9.908) 9.912 13.183 ( 8.090 -0.322 3.608) 8.864 13.194 ( -5.729 0.252 2.888) 6.421 13.601 ( 5.639 -0.269 -4.818) 7.422 13.626 ( -9.075 0.537 -6.885) 11.403 14.570 ( -3.469 -0.478 6.843) 7.687 14.586 ( -1.439 -0.015 5.514) 5.699 15.394 ( -5.051 -2.171 9.430) 10.916 15.499 ( -9.696 -2.641 -0.634) 10.070 15.870 ( 0.905 0.455 11.721) 11.765 16.011 ( 4.567 0.923 1.152) 4.800 16.093 ( -2.595 0.362 -5.700) 6.274 16.136 ( 4.115 3.359 -13.379) 14.395 ======================= Grid point 226 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.405 ( -8.888 4.207 5.499) 11.267 1.508 ( -5.470 1.447 -5.108) 7.622 1.682 ( -4.862 -0.666 15.561) 16.317 1.837 ( 1.092 0.623 3.990) 4.183 1.912 ( 4.178 -3.259 1.248) 5.443 1.961 ( 1.233 -0.358 -5.643) 5.787 2.033 ( 1.141 0.555 -7.663) 7.767 2.058 ( 0.391 -1.870 -6.438) 6.716 2.413 ( 0.867 -0.425 2.920) 3.076 2.455 ( 0.344 0.708 -1.510) 1.703 2.606 ( -4.442 0.882 1.344) 4.724 2.625 ( -3.276 2.426 -0.805) 4.155 2.876 ( -3.362 -0.271 6.365) 7.204 2.983 ( -5.444 1.145 -4.855) 7.384 3.183 ( -0.431 0.796 1.503) 1.754 3.211 ( 2.551 0.887 0.471) 2.742 3.242 ( 8.095 -1.588 7.252) 10.984 3.363 ( 7.852 -1.381 -3.855) 8.856 3.414 ( -2.489 -0.341 0.277) 2.528 3.429 ( -2.006 -0.138 -1.233) 2.358 3.589 ( -0.352 -0.190 3.184) 3.209 3.666 ( -1.271 -4.017 -3.801) 5.674 3.811 ( 0.696 0.671 -0.525) 1.100 3.818 ( 0.379 -0.127 -1.533) 1.585 3.920 ( 1.657 -1.275 2.015) 2.903 3.971 ( 0.345 -1.135 -3.614) 3.803 4.366 ( -0.308 0.639 2.350) 2.454 4.442 ( 1.371 0.206 -5.406) 5.581 4.939 ( -3.273 0.627 5.642) 6.553 5.009 ( -1.847 1.852 -1.868) 3.214 8.276 ( -1.583 -0.058 1.332) 2.070 8.305 ( -1.327 -0.313 -1.698) 2.177 8.795 ( -12.588 -0.107 13.208) 18.246 8.848 ( -9.363 0.410 4.586) 10.434 9.026 ( 0.471 -0.252 14.943) 14.952 9.325 ( 9.992 0.410 -10.713) 14.655 10.126 ( -24.885 -0.388 4.664) 25.321 10.170 ( -24.885 -0.916 1.050) 24.924 10.815 ( -4.953 -0.916 1.626) 5.293 10.983 ( -0.920 -0.353 -12.321) 12.361 11.403 ( 6.051 2.107 0.937) 6.476 11.421 ( 6.707 1.928 -1.310) 7.101 11.699 ( -5.151 0.150 1.418) 5.344 11.755 ( -2.274 0.191 -4.301) 4.869 11.961 ( -0.546 1.357 4.180) 4.428 12.059 ( 7.704 2.862 -4.849) 9.543 12.379 ( -16.670 -0.069 -1.266) 16.719 12.504 ( -10.756 -0.042 -13.575) 17.320 12.904 ( -26.303 0.638 0.481) 26.315 12.919 ( -18.828 0.724 -1.278) 18.885 13.833 ( 21.764 -0.743 2.995) 21.981 13.927 ( 19.524 -2.125 -6.490) 20.684 14.535 ( -1.527 -3.189 6.828) 7.689 14.567 ( -1.786 -2.046 5.207) 5.873 15.251 ( -18.331 -9.147 0.961) 20.509 15.308 ( -9.587 -5.259 -2.908) 11.315 15.998 ( 13.012 2.438 13.438) 18.864 16.079 ( 5.975 -0.658 5.640) 8.242 16.205 ( 13.170 0.838 -5.985) 14.491 16.298 ( 12.880 3.639 -11.811) 17.850 ======================= Grid point 227 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.199 ( -8.310 6.185 7.581) 12.837 1.345 ( -8.449 3.741 -7.861) 12.131 1.577 ( -6.752 1.468 16.853) 18.215 1.774 ( -7.751 1.857 -3.721) 8.797 1.921 ( -2.981 0.247 3.171) 4.359 2.013 ( 1.088 -4.057 4.641) 6.260 2.059 ( 1.574 -0.565 -8.209) 8.377 2.142 ( 1.623 -6.020 -6.903) 9.302 2.396 ( -4.387 0.966 1.744) 4.819 2.426 ( -1.536 2.295 -0.305) 2.778 2.471 ( -6.002 1.805 2.096) 6.609 2.535 ( -2.891 1.008 -3.826) 4.900 2.894 ( 3.390 -1.734 2.693) 4.664 2.945 ( 1.832 -0.226 -2.593) 3.183 3.165 ( -0.743 1.044 2.932) 3.200 3.226 ( 0.805 1.561 -3.245) 3.690 3.351 ( -2.990 0.219 0.947) 3.144 3.364 ( -2.508 -0.061 0.056) 2.509 3.445 ( 9.651 -0.695 5.829) 11.296 3.531 ( 6.526 -1.079 -2.449) 7.054 3.574 ( -0.498 0.888 3.790) 3.925 3.676 ( 0.051 -1.872 -5.610) 5.914 3.819 ( 0.714 0.398 -1.307) 1.541 3.823 ( 0.094 -2.193 -0.827) 2.346 3.992 ( 3.929 -2.857 1.763) 5.168 4.030 ( 3.476 -3.724 -2.389) 5.627 4.354 ( -0.461 0.503 4.576) 4.627 4.463 ( 1.293 1.004 -6.837) 7.030 4.846 ( -5.650 0.967 5.691) 8.078 4.923 ( -5.033 2.717 -2.459) 6.226 8.248 ( -1.472 -0.243 1.401) 2.047 8.273 ( -2.466 -0.268 -0.816) 2.611 8.500 ( -17.482 -0.285 11.235) 20.783 8.625 ( -15.380 0.161 -2.106) 15.524 9.063 ( 2.225 -0.181 22.912) 23.021 9.445 ( -3.548 0.036 -14.732) 15.153 9.583 ( -32.125 -0.205 4.689) 32.466 9.676 ( -20.338 -0.182 -2.482) 20.490 10.731 ( -5.998 -1.170 6.824) 9.160 10.913 ( -9.386 -0.935 -7.654) 12.148 11.352 ( -9.233 1.215 0.575) 9.330 11.443 ( -4.957 0.774 1.484) 5.232 11.525 ( -15.864 0.383 -5.843) 16.911 11.572 ( -17.336 0.324 -11.653) 20.891 11.906 ( 1.740 3.120 12.277) 12.786 12.105 ( -6.826 2.341 -5.850) 9.290 12.253 ( 1.239 0.834 5.746) 5.937 12.362 ( 2.168 3.811 -2.587) 5.091 12.463 ( -11.903 -0.223 -2.371) 12.139 12.590 ( -16.832 0.814 -10.249) 19.723 14.220 ( 17.214 -2.484 3.683) 17.778 14.287 ( 15.933 -4.299 -2.371) 16.672 14.512 ( -2.996 -1.020 10.912) 11.362 14.590 ( 0.770 -4.377 1.713) 4.763 15.005 ( -18.214 -15.304 2.671) 23.940 15.198 ( -7.604 -10.082 -14.558) 19.272 16.240 ( 14.066 2.281 10.114) 17.474 16.289 ( 14.694 -0.260 10.080) 17.821 16.445 ( 13.438 1.816 -7.097) 15.306 16.516 ( 13.165 2.652 -9.520) 16.462 ======================= Grid point 228 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.002 ( -6.557 8.341 8.675) 13.705 1.157 ( -7.604 5.541 -7.447) 11.999 1.377 ( -13.888 3.750 11.005) 18.112 1.528 ( -16.747 1.652 -6.373) 17.994 1.812 ( -11.129 -3.588 15.281) 19.241 1.998 ( -1.581 0.622 11.129) 11.258 2.095 ( -0.297 -2.900 -11.935) 12.286 2.187 ( 0.043 -2.721 -6.327) 6.887 2.281 ( -4.993 1.302 4.029) 6.547 2.382 ( -0.150 0.913 -5.308) 5.388 2.431 ( 0.696 1.241 2.570) 2.938 2.517 ( 1.000 -0.022 -7.170) 7.239 2.980 ( 3.257 -1.663 1.207) 3.851 3.011 ( 3.720 0.009 -2.179) 4.311 3.138 ( -1.339 0.143 3.144) 3.420 3.207 ( -2.080 0.685 -3.846) 4.425 3.296 ( -0.795 2.873 0.844) 3.098 3.325 ( -0.817 1.592 -1.899) 2.609 3.539 ( -0.930 1.095 4.058) 4.305 3.598 ( 2.232 1.094 -1.564) 2.937 3.638 ( 7.443 -0.369 3.731) 8.334 3.721 ( 3.361 -1.056 -3.960) 5.300 3.846 ( 1.474 -1.945 0.470) 2.485 3.864 ( 1.764 -2.866 -0.965) 3.501 4.104 ( 5.028 -4.022 1.958) 6.730 4.146 ( 5.500 -3.895 -2.265) 7.110 4.345 ( -0.563 -0.827 5.146) 5.243 4.464 ( -0.570 1.044 -7.358) 7.454 4.736 ( -4.831 0.975 4.425) 6.623 4.801 ( -4.930 2.784 -2.273) 6.101 8.129 ( -15.429 0.224 12.647) 19.951 8.240 ( -0.073 -0.326 0.010) 0.334 8.281 ( -3.674 -1.025 -1.980) 4.298 8.289 ( -19.932 -0.221 -2.366) 20.073 8.913 ( -26.060 -0.487 5.429) 26.624 9.015 ( -27.659 -1.280 -5.272) 28.186 9.203 ( -0.264 0.417 25.564) 25.568 9.675 ( 6.429 1.254 -19.130) 20.220 10.512 ( -31.422 -0.920 0.207) 31.436 10.522 ( -25.433 -0.977 -1.192) 25.480 11.119 ( -13.117 -0.359 1.541) 13.212 11.166 ( -14.358 0.207 -0.446) 14.366 11.294 ( -7.468 -0.707 -4.121) 8.559 11.340 ( -9.066 -0.610 -7.634) 11.868 11.912 ( -6.602 -0.064 10.909) 12.751 11.979 ( 6.016 2.588 8.236) 10.523 12.298 ( -0.643 3.394 -4.224) 5.456 12.324 ( -6.813 0.195 -7.475) 10.116 12.365 ( 2.558 2.853 0.039) 3.832 12.499 ( 7.833 4.411 -7.859) 11.941 14.390 ( -4.943 -2.167 14.127) 15.123 14.506 ( 8.322 -4.560 7.370) 12.015 14.612 ( 5.670 -3.596 -4.988) 8.364 14.623 ( 4.865 -2.691 2.167) 5.967 14.866 ( -12.310 -20.663 10.259) 26.148 15.250 ( 0.722 -18.147 -24.133) 30.203 16.458 ( 11.431 3.268 10.209) 15.671 16.558 ( 13.365 -0.224 8.190) 15.676 16.651 ( 10.881 3.193 -8.647) 14.261 16.725 ( 11.691 2.731 -8.202) 14.540 ======================= Grid point 229 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.820 ( -5.357 9.099 10.053) 14.579 0.949 ( -14.954 4.578 4.916) 16.394 1.033 ( -11.067 6.880 -4.386) 13.749 1.172 ( -18.362 1.836 -10.920) 21.443 1.650 ( -6.863 -0.836 28.458) 29.286 1.982 ( -0.234 0.016 10.880) 10.882 2.085 ( -2.001 -1.819 -13.092) 13.368 2.193 ( -3.489 -1.564 10.266) 10.955 2.222 ( 1.419 0.778 -9.661) 9.796 2.380 ( -0.623 -0.373 -8.685) 8.715 2.457 ( 3.029 0.259 3.588) 4.703 2.564 ( 2.702 -1.758 -8.953) 9.515 3.003 ( -2.845 -1.759 1.352) 3.608 3.037 ( 0.215 0.888 -2.093) 2.283 3.126 ( -0.809 2.493 0.893) 2.769 3.159 ( -0.516 0.817 -1.133) 1.489 3.271 ( 1.036 4.214 0.991) 4.451 3.322 ( 1.595 0.945 -3.559) 4.013 3.501 ( -1.733 1.640 5.872) 6.338 3.600 ( 0.100 1.321 -4.730) 4.912 3.768 ( 5.240 -1.128 1.314) 5.519 3.790 ( 2.888 -0.922 -0.897) 3.161 3.877 ( -0.026 -1.104 2.491) 2.725 3.921 ( 1.947 -1.384 -1.989) 3.108 4.233 ( 4.394 -4.560 3.159) 7.077 4.293 ( 6.419 -3.241 -1.652) 7.379 4.355 ( 0.023 -3.825 1.180) 4.003 4.424 ( -2.997 -0.913 -4.510) 5.491 4.664 ( -1.936 1.370 3.119) 3.918 4.721 ( -0.823 3.745 -3.134) 4.952 7.852 ( -12.415 0.027 9.895) 15.876 7.933 ( -16.057 -0.132 -0.431) 16.064 8.262 ( -0.271 -0.538 -0.167) 0.625 8.277 ( 3.123 -0.535 -1.105) 3.356 8.491 ( -16.594 -0.847 5.129) 17.389 8.605 ( -17.377 -1.063 -5.455) 18.244 9.256 ( 4.017 0.739 26.824) 27.133 9.765 ( 3.483 1.141 -23.112) 23.401 9.834 ( -33.135 -0.118 4.607) 33.454 9.982 ( -31.652 -0.982 -12.599) 34.082 10.917 ( -9.000 0.074 5.981) 10.807 11.017 ( -3.437 -0.167 -3.551) 4.944 11.211 ( -4.086 -2.254 -1.273) 4.837 11.252 ( -0.969 -0.455 -3.739) 3.889 11.830 ( -2.623 -0.100 10.750) 11.066 12.063 ( 1.651 0.247 -9.065) 9.217 12.186 ( 0.453 1.984 4.561) 4.994 12.342 ( 2.088 0.888 -6.592) 6.972 12.390 ( 1.503 3.732 9.461) 10.281 12.566 ( 3.483 4.735 -7.458) 9.496 14.305 ( -3.864 -0.144 16.070) 16.528 14.552 ( -3.058 -0.474 -10.140) 10.601 14.693 ( 4.279 -5.471 8.881) 11.275 14.825 ( 6.430 -1.415 -4.868) 8.188 14.914 ( -5.724 -34.066 30.801) 46.281 15.481 ( 4.381 -21.987 -27.565) 35.531 16.587 ( 6.220 5.173 9.700) 12.631 16.762 ( 7.224 -1.134 5.342) 9.056 16.781 ( 7.160 5.186 -9.619) 13.065 16.885 ( 8.083 3.693 -7.581) 11.681 ======================= Grid point 230 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.654 ( -0.000 2.388 15.862) 16.041 0.712 ( -0.000 10.091 11.606) 15.379 0.910 ( -0.000 6.806 -9.572) 11.745 0.949 ( -0.000 0.807 -15.971) 15.991 1.587 ( -0.000 0.252 32.223) 32.224 1.985 ( 0.000 -0.959 10.643) 10.686 2.073 ( 0.000 -0.197 -13.717) 13.718 2.165 ( 0.000 -1.268 13.025) 13.086 2.239 ( 0.000 -0.051 -11.125) 11.125 2.373 ( 0.000 -0.335 -9.166) 9.172 2.507 ( 0.000 -1.715 3.261) 3.684 2.616 ( 0.000 -2.699 -9.215) 9.602 2.966 ( 0.000 -0.580 2.460) 2.528 3.027 ( -0.000 0.435 -4.063) 4.086 3.077 ( -0.000 4.117 2.914) 5.044 3.143 ( -0.000 4.002 -3.880) 5.574 3.262 ( -0.000 1.541 3.588) 3.905 3.338 ( -0.000 0.261 -4.239) 4.247 3.466 ( -0.000 1.471 6.982) 7.135 3.591 ( -0.000 0.921 -6.185) 6.254 3.830 ( 0.000 -1.149 0.296) 1.186 3.833 ( 0.000 -1.040 -0.174) 1.055 3.874 ( 0.000 -0.294 3.512) 3.525 3.944 ( 0.000 -0.158 -3.893) 3.896 4.312 ( 0.000 -4.132 3.848) 5.646 4.375 ( 0.000 -4.038 2.701) 4.858 4.388 ( 0.000 -1.005 -3.204) 3.358 4.431 ( 0.000 -3.809 -4.130) 5.618 4.636 ( -0.000 1.630 2.335) 2.847 4.685 ( -0.000 4.018 -3.175) 5.121 7.727 ( -0.000 0.095 7.469) 7.469 7.773 ( -0.000 0.025 0.643) 0.643 8.254 ( -0.000 0.108 7.912) 7.913 8.356 ( 0.000 -1.153 -0.584) 1.292 8.365 ( 0.000 -1.267 -1.199) 1.744 8.401 ( -0.000 0.144 -5.232) 5.234 9.315 ( -0.000 0.924 25.694) 25.710 9.463 ( 0.000 -0.021 5.516) 5.516 9.633 ( 0.000 -0.005 -12.179) 12.179 9.796 ( -0.000 0.904 -24.900) 24.916 10.830 ( -0.000 0.048 6.766) 6.766 10.985 ( 0.000 -0.041 -9.927) 9.927 11.197 ( 0.000 -1.998 2.961) 3.572 11.250 ( 0.000 -0.281 -2.660) 2.675 11.808 ( 0.000 -0.047 10.220) 10.220 12.052 ( 0.000 -0.012 -16.075) 16.075 12.233 ( 0.000 -0.047 7.974) 7.974 12.351 ( -0.000 4.625 13.517) 14.286 12.362 ( 0.000 -0.014 -5.786) 5.786 12.562 ( -0.000 3.287 -8.466) 9.082 14.269 ( 0.000 -0.041 15.912) 15.912 14.521 ( 0.000 -0.060 -11.017) 11.017 14.765 ( 0.000 -1.607 6.309) 6.511 14.883 ( 0.000 -0.764 -6.171) 6.218 15.208 ( 0.000 -43.599 33.754) 55.137 15.708 ( 0.000 -18.866 -22.333) 29.235 16.597 ( -0.000 6.124 8.177) 10.216 16.774 ( -0.000 11.076 -11.170) 15.730 16.857 ( 0.000 -1.736 3.733) 4.116 16.938 ( -0.000 1.733 -4.970) 5.264 ======================= Grid point 233 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.264 ( 11.618 0.000 9.260) 14.857 1.429 ( 9.508 0.000 -8.224) 12.571 1.692 ( 6.760 0.000 14.768) 16.241 1.785 ( -0.791 -0.000 2.501) 2.623 1.868 ( -1.895 -0.000 1.556) 2.452 1.993 ( -2.375 -0.000 -11.187) 11.436 2.120 ( -4.663 -0.000 4.202) 6.277 2.247 ( -3.714 -0.000 -7.156) 8.062 2.371 ( -1.506 -0.000 1.347) 2.020 2.398 ( 0.377 0.000 -1.003) 1.071 2.584 ( 6.375 0.000 3.557) 7.300 2.660 ( 4.433 0.000 -3.793) 5.834 2.904 ( 1.828 0.000 4.980) 5.304 2.986 ( 5.422 0.000 -3.473) 6.439 3.159 ( -1.394 -0.000 2.362) 2.743 3.160 ( 0.709 0.000 0.665) 0.972 3.302 ( -8.389 -0.000 7.552) 11.288 3.401 ( 1.521 0.000 -0.956) 1.797 3.414 ( 2.697 0.000 0.040) 2.697 3.485 ( -6.064 -0.000 -6.955) 9.227 3.563 ( -0.941 -0.000 -1.396) 1.684 3.563 ( -0.167 -0.000 -0.404) 0.437 3.807 ( -1.339 -0.000 0.156) 1.348 3.817 ( -1.587 -0.000 -0.895) 1.823 3.997 ( -4.131 -0.000 3.872) 5.662 4.072 ( -2.907 -0.000 -4.098) 5.024 4.379 ( 0.836 0.000 -0.072) 0.839 4.412 ( -1.254 -0.000 -3.702) 3.909 4.925 ( 3.586 0.000 2.409) 4.320 4.937 ( 5.651 0.000 1.049) 5.748 8.281 ( 1.555 0.000 1.241) 1.989 8.306 ( 0.759 0.000 -1.427) 1.617 8.815 ( 15.171 0.000 9.094) 17.688 8.826 ( 7.321 0.000 5.588) 9.209 9.034 ( -1.240 -0.000 16.925) 16.970 9.311 ( -9.501 -0.000 -8.107) 12.490 10.149 ( 25.304 0.000 5.913) 25.986 10.212 ( 24.335 0.000 0.401) 24.338 10.847 ( 4.750 0.000 0.537) 4.781 10.993 ( -0.855 -0.000 -12.127) 12.157 11.336 ( -6.233 -0.000 1.382) 6.384 11.341 ( -5.174 -0.000 -0.852) 5.244 11.694 ( 5.660 0.000 1.332) 5.814 11.748 ( 3.279 0.000 -4.055) 5.215 11.922 ( 4.283 0.000 0.640) 4.330 11.965 ( -1.798 -0.000 -2.774) 3.305 12.378 ( 16.004 0.000 -1.194) 16.048 12.503 ( 9.979 0.000 -13.064) 16.439 12.888 ( 27.792 0.000 -0.728) 27.802 12.889 ( 17.322 0.000 -1.069) 17.355 13.863 ( -22.812 -0.000 5.101) 23.375 13.995 ( -21.835 -0.000 -8.272) 23.349 14.607 ( 1.273 0.000 9.233) 9.320 14.644 ( -3.237 -0.000 5.151) 6.084 15.503 ( -7.587 -0.000 3.217) 8.241 15.534 ( 3.933 0.000 -0.695) 3.994 15.969 ( -10.989 -0.000 2.116) 11.191 16.067 ( 0.931 0.000 -9.134) 9.181 16.101 ( -11.747 -0.000 11.507) 16.444 16.317 ( -12.337 -0.000 -10.519) 16.213 ======================= Grid point 234 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.463 ( 8.757 -0.779 5.760) 10.510 1.559 ( 2.123 0.243 -3.979) 4.517 1.731 ( -4.216 -0.695 9.988) 10.864 1.748 ( 0.586 -0.871 8.568) 8.632 1.872 ( 2.810 -0.389 -1.358) 3.145 1.921 ( -5.446 -0.040 -9.965) 11.356 2.057 ( -1.124 1.268 -0.266) 1.716 2.169 ( -3.590 2.133 -7.750) 8.803 2.367 ( 0.881 -0.935 3.083) 3.340 2.419 ( 1.469 -0.887 -2.266) 2.843 2.647 ( 1.448 0.561 2.855) 3.250 2.690 ( 0.104 0.688 -1.231) 1.414 2.990 ( 3.716 2.105 7.241) 8.406 3.032 ( -2.433 -1.342 6.116) 6.717 3.163 ( 4.430 1.176 -1.405) 4.794 3.184 ( 2.340 -0.489 -0.826) 2.529 3.204 ( -1.467 0.149 0.472) 1.548 3.276 ( -9.267 0.221 -6.698) 11.436 3.441 ( -0.141 0.073 1.279) 1.289 3.464 ( -0.152 0.480 -0.963) 1.086 3.558 ( 0.539 -0.638 0.908) 1.234 3.577 ( -0.370 -3.095 -0.825) 3.224 3.794 ( -0.144 -0.351 -0.329) 0.502 3.801 ( -0.355 -0.389 -0.815) 0.970 3.933 ( -2.426 0.491 3.851) 4.578 4.019 ( -2.344 0.991 -5.359) 5.932 4.389 ( -0.013 0.947 -0.977) 1.361 4.408 ( 0.969 -0.921 -2.857) 3.154 4.968 ( 0.814 -0.001 4.739) 4.808 5.020 ( 3.013 0.128 -0.943) 3.160 8.299 ( 0.060 0.369 0.277) 0.465 8.308 ( -0.412 -0.485 -0.606) 0.879 8.901 ( 0.887 0.362 17.317) 17.344 8.952 ( -1.661 -0.292 15.249) 15.342 9.117 ( 2.707 0.716 -4.201) 5.049 9.130 ( -1.344 -0.717 -3.550) 3.863 10.412 ( -2.011 0.448 5.839) 6.192 10.420 ( -2.053 -0.405 5.182) 5.589 10.913 ( -7.098 -0.179 -8.385) 10.988 10.955 ( 5.053 0.204 -12.047) 13.065 11.297 ( 4.205 0.131 0.405) 4.227 11.300 ( 5.296 0.108 0.136) 5.299 11.756 ( 1.606 0.011 -0.993) 1.888 11.759 ( -1.437 0.038 -1.274) 1.921 11.957 ( 0.662 0.007 1.351) 1.504 11.978 ( 3.852 0.079 -0.673) 3.911 12.603 ( 0.597 0.141 -9.338) 9.358 12.606 ( 0.219 -0.248 -9.651) 9.657 13.179 ( 8.747 -0.130 3.781) 9.530 13.197 ( -4.917 0.087 2.635) 5.579 13.598 ( 5.588 -0.096 -4.380) 7.100 13.634 ( -11.146 0.264 -7.221) 13.283 14.564 ( -5.103 -0.228 6.781) 8.489 14.585 ( -2.995 -0.087 5.094) 5.910 15.363 ( -6.984 -1.136 8.499) 11.059 15.459 ( -14.812 -1.592 -1.161) 14.942 15.883 ( 3.171 0.644 15.635) 15.966 16.018 ( 4.314 0.105 1.839) 4.691 16.098 ( -5.108 0.204 -6.135) 7.986 16.187 ( 6.981 1.959 -15.675) 17.271 ======================= Grid point 235 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.470 ( -7.096 3.338 3.186) 8.464 1.528 ( -3.248 0.905 -2.407) 4.142 1.667 ( -3.436 -1.133 15.308) 15.730 1.818 ( 2.682 -2.523 4.130) 5.533 1.869 ( 0.865 -1.594 -3.018) 3.521 1.933 ( 2.738 -1.448 -10.069) 10.535 2.048 ( 0.906 1.042 -3.393) 3.663 2.079 ( -4.065 2.386 -3.653) 5.964 2.402 ( 1.600 -0.635 3.074) 3.523 2.456 ( 1.577 -0.414 -2.541) 3.018 2.629 ( -3.249 1.611 2.950) 4.675 2.663 ( -2.497 1.675 -0.574) 3.061 2.876 ( -5.314 0.235 7.695) 9.354 3.010 ( -7.191 1.854 -6.383) 9.793 3.194 ( 0.290 0.477 1.379) 1.488 3.215 ( 8.648 -0.859 8.534) 12.181 3.227 ( 2.542 0.395 -1.634) 3.047 3.341 ( 8.880 -1.105 -4.390) 9.967 3.408 ( -3.162 -0.331 0.635) 3.242 3.428 ( -2.735 0.031 -1.270) 3.015 3.577 ( 0.306 -0.936 1.321) 1.648 3.595 ( -0.754 -3.680 -0.350) 3.772 3.795 ( -0.963 -1.302 0.309) 1.649 3.815 ( 1.142 -0.788 -1.508) 2.050 3.911 ( 0.644 -0.069 2.124) 2.220 3.974 ( -1.387 0.985 -4.869) 5.158 4.380 ( -0.101 0.769 1.574) 1.755 4.442 ( 2.019 -0.137 -4.713) 5.129 4.948 ( -2.831 0.448 6.557) 7.156 5.034 ( -1.021 1.128 -2.762) 3.153 8.276 ( -1.790 0.041 0.955) 2.029 8.299 ( -1.324 -0.388 -1.441) 1.994 8.795 ( -13.093 0.073 14.498) 19.535 8.853 ( -8.757 0.225 4.660) 9.922 9.023 ( 0.294 -0.179 14.160) 14.165 9.330 ( 10.343 0.273 -11.779) 15.678 10.122 ( -24.756 -0.133 4.217) 25.113 10.158 ( -24.797 -0.488 1.319) 24.836 10.802 ( -5.227 -0.586 1.910) 5.596 10.978 ( -1.529 -0.237 -12.477) 12.573 11.434 ( 6.451 1.481 0.784) 6.666 11.446 ( 6.155 1.001 -1.256) 6.361 11.702 ( -5.003 0.098 1.376) 5.189 11.757 ( -2.065 0.116 -4.522) 4.972 11.982 ( 1.357 1.015 5.766) 6.010 12.101 ( 10.451 1.987 -5.584) 12.015 12.377 ( -17.101 -0.141 -1.337) 17.154 12.503 ( -11.094 -0.060 -13.863) 17.756 12.914 ( -27.132 0.521 0.778) 27.148 12.929 ( -17.693 0.416 -1.046) 17.729 13.824 ( 21.224 -0.340 1.831) 21.305 13.895 ( 17.497 -1.636 -5.257) 18.343 14.488 ( -3.022 -2.113 5.592) 6.699 14.532 ( -3.322 -1.920 3.297) 5.058 15.125 ( -22.019 -5.472 4.936) 23.219 15.238 ( -9.659 -2.931 -4.316) 10.978 16.033 ( 13.212 1.502 13.719) 19.105 16.071 ( 4.720 -0.343 4.313) 6.403 16.201 ( 12.654 -0.385 -2.666) 12.937 16.367 ( 13.116 3.555 -13.787) 19.359 ======================= Grid point 236 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.304 ( -6.027 6.175 4.704) 9.828 1.403 ( -6.685 3.000 -5.490) 9.156 1.600 ( -4.328 1.220 16.889) 17.477 1.796 ( -7.082 0.366 -0.443) 7.105 1.884 ( -6.551 -3.910 -0.713) 7.663 1.985 ( 2.533 -0.476 -1.656) 3.064 2.030 ( -0.280 -2.277 -7.901) 8.227 2.080 ( 2.771 -1.068 -3.747) 4.781 2.412 ( -1.615 0.868 2.608) 3.188 2.465 ( -1.007 1.620 -2.986) 3.543 2.500 ( -6.329 2.046 4.524) 8.044 2.561 ( -4.811 1.868 -2.317) 5.657 2.867 ( 2.721 -1.441 3.941) 5.001 2.940 ( 1.132 -0.240 -3.864) 4.033 3.187 ( -0.566 1.459 3.396) 3.739 3.254 ( 0.835 1.805 -3.557) 4.076 3.346 ( -2.046 -0.742 0.935) 2.369 3.361 ( -0.569 -0.353 0.442) 0.802 3.436 ( 9.043 -0.416 4.693) 10.197 3.514 ( 7.502 -1.030 -2.228) 7.893 3.580 ( -0.327 -0.232 2.432) 2.465 3.619 ( 0.340 -4.162 -1.327) 4.382 3.782 ( -1.643 -2.390 0.520) 2.946 3.828 ( -0.610 -0.023 -4.400) 4.442 3.958 ( 3.377 -1.232 0.750) 3.672 3.978 ( 2.143 -2.063 -1.647) 3.400 4.370 ( -0.135 1.193 4.394) 4.555 4.479 ( 2.106 0.840 -6.898) 7.261 4.861 ( -5.753 0.745 7.177) 9.228 4.964 ( -4.963 2.025 -3.786) 6.563 8.244 ( -1.608 -0.205 1.135) 1.979 8.267 ( -2.356 -0.386 -0.983) 2.582 8.496 ( -17.819 -0.148 12.032) 21.501 8.629 ( -15.701 0.194 -2.227) 15.859 9.061 ( 2.482 -0.074 22.793) 22.928 9.447 ( -5.816 0.217 -14.765) 15.871 9.581 ( -31.933 -0.039 4.369) 32.230 9.675 ( -17.520 0.030 -3.204) 17.811 10.712 ( -6.071 -1.027 6.715) 9.110 10.898 ( -9.589 -0.781 -7.889) 12.442 11.374 ( -9.835 1.350 0.459) 9.938 11.451 ( -7.229 0.181 2.042) 7.515 11.534 ( -15.436 0.690 -5.636) 16.447 11.574 ( -17.737 -0.071 -11.847) 21.329 11.954 ( 1.591 2.417 12.293) 12.629 12.135 ( -13.139 1.356 -3.546) 13.676 12.269 ( 4.267 0.997 6.321) 7.691 12.412 ( 7.547 1.391 -9.315) 12.068 12.477 ( -10.137 2.440 1.111) 10.486 12.605 ( -16.550 0.899 -9.902) 19.307 14.144 ( 6.242 -6.549 5.871) 10.785 14.226 ( 17.753 -2.525 -1.419) 17.988 14.486 ( 0.945 -2.252 3.824) 4.537 14.523 ( -0.166 -2.968 4.091) 5.057 14.797 ( -18.246 -9.148 6.434) 21.401 15.069 ( -11.210 -5.349 -16.585) 20.720 16.236 ( 11.487 -1.320 9.806) 15.161 16.313 ( 16.623 1.570 8.432) 18.705 16.443 ( 12.535 -0.360 -2.839) 12.858 16.590 ( 14.429 4.477 -11.400) 18.926 ======================= Grid point 237 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.150 ( -4.025 9.075 5.397) 11.300 1.253 ( -5.994 5.622 -4.977) 9.607 1.443 ( -11.952 4.141 9.304) 15.702 1.552 ( -17.286 1.007 -3.692) 17.705 1.746 ( -9.842 -4.197 12.203) 16.229 2.010 ( -0.486 0.133 2.593) 2.642 2.045 ( -0.246 -2.135 -8.719) 8.979 2.143 ( 1.773 -2.465 -3.108) 4.345 2.312 ( -5.042 2.256 2.957) 6.265 2.402 ( -1.950 1.458 -5.743) 6.237 2.451 ( 0.377 1.142 3.209) 3.427 2.523 ( 0.456 0.566 -4.817) 4.872 2.948 ( 3.278 -1.987 2.549) 4.603 3.006 ( 4.043 -0.563 -3.643) 5.471 3.145 ( -2.319 0.643 3.780) 4.481 3.218 ( -2.698 0.688 -3.816) 4.724 3.327 ( 0.543 1.171 1.711) 2.143 3.364 ( 1.718 2.685 -1.344) 3.460 3.557 ( -0.170 0.854 3.700) 3.801 3.609 ( 4.221 -0.184 -0.516) 4.257 3.629 ( 5.871 -0.751 2.554) 6.446 3.687 ( 3.212 -2.757 -1.814) 4.606 3.799 ( 1.128 -4.333 -0.342) 4.491 3.822 ( 0.614 -1.134 -2.925) 3.197 4.043 ( 3.906 -3.032 1.651) 5.213 4.073 ( 4.437 -4.349 -1.673) 6.434 4.351 ( -0.848 1.306 5.911) 6.113 4.491 ( -0.249 1.951 -8.742) 8.960 4.749 ( -5.083 0.498 6.068) 7.932 4.844 ( -4.932 2.252 -3.818) 6.631 8.134 ( -15.852 0.323 12.732) 20.335 8.233 ( 0.001 -0.488 0.210) 0.531 8.263 ( -3.191 -1.071 -2.007) 3.919 8.286 ( -20.531 -0.067 -2.810) 20.722 8.907 ( -26.199 -0.176 4.934) 26.660 8.998 ( -27.665 -0.747 -4.635) 28.061 9.210 ( 0.264 0.390 25.919) 25.923 9.697 ( 6.787 1.367 -20.280) 21.429 10.497 ( -26.509 -0.894 -0.111) 26.524 10.507 ( -30.029 -0.846 -0.782) 30.051 11.116 ( -13.820 0.019 2.824) 14.106 11.168 ( -14.587 -0.021 1.561) 14.670 11.284 ( -8.312 -0.346 -6.024) 10.271 11.328 ( -10.202 -0.775 -7.936) 12.948 11.910 ( -7.151 -0.078 10.919) 13.053 12.015 ( 4.759 1.585 4.405) 6.675 12.319 ( -8.606 -0.287 -7.652) 11.519 12.347 ( 0.061 1.594 -6.039) 6.246 12.418 ( 4.441 4.055 6.560) 8.900 12.601 ( 10.571 7.137 -8.986) 15.603 14.213 ( -7.457 -18.967 22.619) 30.446 14.426 ( -7.182 -1.693 19.492) 20.842 14.530 ( 5.879 -4.883 -6.134) 9.800 14.582 ( 5.301 -2.442 3.967) 7.057 14.706 ( 1.910 -2.622 -7.204) 7.901 14.979 ( -5.007 -13.155 -28.288) 31.596 16.460 ( 10.351 -1.862 10.801) 15.076 16.586 ( 13.911 1.892 6.103) 15.308 16.650 ( 9.447 -0.207 -3.038) 9.926 16.814 ( 14.090 5.552 -11.380) 18.944 ======================= Grid point 238 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.960 ( -13.686 6.668 7.370) 16.914 1.051 ( -7.491 7.761 3.500) 11.340 1.158 ( -10.628 6.817 -5.713) 13.859 1.218 ( -12.914 4.489 -7.096) 15.404 1.637 ( -4.354 -0.661 24.186) 24.584 1.986 ( -1.220 0.402 2.510) 2.819 2.057 ( 0.080 -1.152 -6.096) 6.204 2.158 ( -2.936 -2.485 8.843) 9.644 2.243 ( -0.064 1.562 -7.099) 7.269 2.373 ( -1.196 -0.364 -9.597) 9.678 2.464 ( 1.626 0.568 2.855) 3.335 2.546 ( 1.882 -0.309 -6.574) 6.845 2.978 ( -1.717 -1.307 2.894) 3.610 3.048 ( 0.048 0.393 -4.416) 4.433 3.132 ( 1.035 -0.988 3.185) 3.491 3.178 ( -0.599 1.183 -1.307) 1.862 3.328 ( 1.119 2.705 1.331) 3.216 3.370 ( 1.964 3.991 -1.963) 4.862 3.531 ( -1.070 1.869 5.674) 6.069 3.625 ( 0.085 1.573 -4.424) 4.696 3.737 ( 3.314 -2.725 1.534) 4.556 3.763 ( 2.633 -2.269 -1.350) 3.728 3.857 ( 0.998 -1.186 1.565) 2.203 3.889 ( 4.054 -2.322 -1.688) 4.968 4.146 ( 3.169 -5.371 2.731) 6.808 4.204 ( 4.588 -6.762 -3.389) 8.847 4.324 ( -0.996 0.199 4.181) 4.303 4.427 ( -4.284 1.060 -6.428) 7.797 4.681 ( -1.800 0.662 4.967) 5.324 4.784 ( 0.755 3.488 -6.250) 7.197 7.853 ( -12.343 0.089 9.660) 15.674 7.931 ( -15.921 -0.096 -0.345) 15.925 8.251 ( 0.301 -0.718 -0.271) 0.825 8.266 ( 2.801 -0.725 -1.306) 3.174 8.477 ( -17.170 -0.674 5.060) 17.913 8.588 ( -16.837 -0.804 -5.100) 17.611 9.271 ( 4.466 0.953 27.068) 27.450 9.788 ( 1.881 1.503 -23.335) 23.459 9.833 ( -31.087 -0.041 3.311) 31.263 9.968 ( -30.105 -0.596 -10.073) 31.751 10.919 ( -8.996 0.155 6.103) 10.872 11.014 ( -3.086 -0.269 -1.126) 3.296 11.169 ( -5.225 -2.512 -1.132) 5.907 11.242 ( -1.023 -0.723 -5.023) 5.177 11.829 ( -2.566 -0.105 10.685) 10.989 12.066 ( 0.194 0.052 -11.618) 11.620 12.212 ( -0.334 1.009 4.984) 5.096 12.352 ( 0.871 0.361 -6.975) 7.038 12.474 ( 4.026 5.949 12.848) 14.720 12.666 ( 3.354 7.206 -5.928) 9.916 14.262 ( -6.055 -24.815 34.615) 43.019 14.313 ( -6.097 -5.497 24.110) 25.469 14.546 ( -2.686 -1.004 -10.826) 11.199 14.719 ( 4.486 -2.119 6.949) 8.538 14.809 ( 5.286 -1.480 -8.399) 10.034 15.105 ( 1.343 -21.179 -36.430) 42.160 16.622 ( 5.627 -1.042 10.398) 11.869 16.775 ( 8.224 2.486 8.220) 11.890 16.787 ( 4.779 -1.082 -5.620) 7.456 16.993 ( 9.978 6.583 -13.704) 18.185 ======================= Grid point 239 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.707 ( -0.000 3.770 13.387) 13.908 0.917 ( -0.000 13.466 7.722) 15.523 0.967 ( -0.000 1.195 -14.504) 14.553 1.060 ( -0.000 10.523 -7.878) 13.145 1.594 ( -0.000 0.602 28.417) 28.424 1.973 ( 0.000 -0.231 3.537) 3.545 2.066 ( 0.000 -0.511 -6.990) 7.009 2.136 ( 0.000 -2.189 13.905) 14.076 2.243 ( -0.000 0.589 -10.752) 10.768 2.365 ( 0.000 -0.696 -10.486) 10.509 2.487 ( 0.000 -0.651 2.860) 2.933 2.577 ( 0.000 -1.629 -7.496) 7.671 2.956 ( 0.000 -0.547 3.523) 3.565 3.036 ( -0.000 0.604 -5.005) 5.041 3.148 ( -0.000 2.842 1.780) 3.353 3.164 ( 0.000 -0.124 1.480) 1.486 3.316 ( -0.000 3.241 0.517) 3.282 3.362 ( -0.000 3.342 -3.079) 4.544 3.499 ( -0.000 2.292 6.582) 6.969 3.611 ( -0.000 1.465 -5.327) 5.525 3.795 ( 0.000 -2.954 0.764) 3.051 3.809 ( 0.000 -1.991 -0.598) 2.079 3.867 ( 0.000 -0.507 3.578) 3.614 3.941 ( 0.000 -0.255 -4.126) 4.134 4.229 ( 0.000 -6.122 3.851) 7.232 4.318 ( 0.000 -6.308 -3.292) 7.115 4.321 ( 0.000 -3.144 0.875) 3.264 4.379 ( 0.000 -0.811 -3.066) 3.172 4.660 ( -0.000 1.137 4.304) 4.452 4.766 ( -0.000 4.996 -7.976) 9.411 7.730 ( -0.000 0.162 7.355) 7.357 7.773 ( -0.000 0.038 0.713) 0.714 8.256 ( -0.000 0.177 7.977) 7.979 8.331 ( 0.000 -1.659 -0.826) 1.853 8.339 ( 0.000 -1.643 -1.332) 2.115 8.404 ( -0.000 0.231 -5.254) 5.259 9.336 ( -0.000 1.552 26.298) 26.344 9.463 ( 0.000 -0.030 5.520) 5.520 9.632 ( 0.000 -0.005 -12.212) 12.212 9.820 ( -0.000 1.954 -23.983) 24.062 10.831 ( -0.000 0.080 6.688) 6.689 10.984 ( 0.000 -0.065 -9.787) 9.787 11.154 ( 0.000 -3.051 5.812) 6.564 11.242 ( 0.000 -0.652 -3.702) 3.759 11.807 ( 0.000 -0.077 10.260) 10.260 12.052 ( 0.000 -0.025 -16.101) 16.101 12.232 ( 0.000 -0.073 7.978) 7.978 12.362 ( 0.000 -0.022 -5.838) 5.838 12.453 ( -0.000 7.112 13.772) 15.500 12.637 ( -0.000 5.634 -4.028) 6.926 14.268 ( 0.000 -0.068 15.889) 15.889 14.468 ( 0.000 -35.710 46.545) 58.665 14.519 ( 0.000 -0.098 -10.997) 10.997 14.779 ( 0.000 -3.033 7.689) 8.266 14.873 ( 0.000 -1.265 -5.892) 6.026 15.320 ( 0.000 -24.914 -36.504) 44.195 16.673 ( -0.000 1.730 10.400) 10.543 16.829 ( -0.000 0.932 3.737) 3.851 16.849 ( 0.000 -0.910 -3.016) 3.151 17.034 ( -0.000 7.498 -14.605) 16.417 ======================= Grid point 244 (85/93) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.501 ( -6.139 -0.000 1.905) 6.427 1.536 ( -2.296 -0.000 -1.127) 2.557 1.654 ( -2.785 -0.000 15.181) 15.435 1.791 ( 2.912 0.000 3.022) 4.197 1.854 ( -0.198 -0.000 -4.112) 4.117 1.923 ( 2.281 0.000 -10.238) 10.489 2.059 ( 0.432 0.000 -1.604) 1.661 2.102 ( -4.815 -0.000 -3.494) 5.949 2.396 ( 2.123 0.000 3.042) 3.710 2.451 ( 2.069 0.000 -2.628) 3.345 2.645 ( -2.667 -0.000 3.089) 4.082 2.677 ( -2.096 -0.000 -0.172) 2.103 2.879 ( -6.407 -0.000 8.448) 10.602 3.029 ( -8.234 -0.000 -7.234) 10.961 3.198 ( 0.587 0.000 1.478) 1.590 3.206 ( 8.440 0.000 8.276) 11.820 3.232 ( 3.124 0.000 -2.109) 3.769 3.331 ( 9.383 0.000 -4.761) 10.522 3.405 ( -3.433 -0.000 1.032) 3.584 3.429 ( -3.143 -0.000 -1.364) 3.427 3.560 ( -0.395 -0.000 1.203) 1.266 3.569 ( 0.541 0.000 0.243) 0.593 3.782 ( -1.093 -0.000 0.580) 1.237 3.806 ( 0.888 0.000 -1.440) 1.692 3.911 ( 0.128 0.000 2.629) 2.632 3.984 ( -1.743 -0.000 -5.381) 5.656 4.387 ( -0.112 -0.000 1.027) 1.033 4.441 ( 2.410 0.000 -4.242) 4.879 4.952 ( -2.673 -0.000 6.879) 7.380 5.044 ( -0.736 -0.000 -3.087) 3.173 8.277 ( -1.951 -0.000 0.696) 2.071 8.295 ( -1.240 -0.000 -1.235) 1.750 8.796 ( -13.384 -0.000 14.996) 20.100 8.855 ( -8.432 -0.000 4.730) 9.668 9.021 ( 0.233 0.000 13.838) 13.839 9.333 ( 10.498 0.000 -12.199) 16.094 10.121 ( -24.722 -0.000 4.038) 25.049 10.154 ( -24.721 -0.000 1.437) 24.762 10.797 ( -5.351 -0.000 2.009) 5.715 10.976 ( -1.755 -0.000 -12.548) 12.670 11.448 ( 7.498 0.000 1.139) 7.584 11.453 ( 4.960 0.000 -1.622) 5.219 11.702 ( -4.951 -0.000 1.346) 5.131 11.758 ( -2.011 -0.000 -4.625) 5.043 11.991 ( 2.181 0.000 6.419) 6.779 12.118 ( 11.627 0.000 -5.862) 13.022 12.376 ( -17.361 -0.000 -1.366) 17.414 12.503 ( -11.237 -0.000 -14.001) 17.952 12.919 ( -27.737 -0.000 0.868) 27.750 12.932 ( -16.892 -0.000 -0.898) 16.916 13.821 ( 21.136 0.000 1.234) 21.172 13.880 ( 16.275 0.000 -4.592) 16.910 14.470 ( -3.518 -0.000 4.760) 5.919 14.514 ( -4.181 -0.000 2.521) 4.882 15.078 ( -22.635 -0.000 6.780) 23.629 15.213 ( -9.585 -0.000 -4.745) 10.695 16.046 ( 13.212 0.000 13.407) 18.823 16.068 ( 3.859 0.000 3.183) 5.002 16.199 ( 12.850 0.000 -0.591) 12.864 16.398 ( 12.902 0.000 -14.423) 19.352 ======================= Grid point 245 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.390 ( -4.167 3.446 1.827) 5.707 1.436 ( -5.796 0.770 -2.042) 6.193 1.615 ( -1.876 0.587 16.490) 16.607 1.781 ( -5.913 -1.437 3.022) 6.795 1.836 ( -7.242 -1.340 -2.760) 7.866 1.962 ( 1.549 -1.081 -16.402) 16.511 2.025 ( -0.859 0.482 2.199) 2.409 2.073 ( 1.294 -0.117 -2.902) 3.180 2.424 ( 0.573 0.506 2.981) 3.077 2.474 ( -1.006 -0.009 -1.561) 1.857 2.536 ( -5.783 1.494 3.382) 6.864 2.586 ( -6.770 0.824 -1.483) 6.979 2.850 ( 2.252 -0.559 4.624) 5.173 2.938 ( 0.246 -0.057 -4.802) 4.809 3.207 ( -0.207 0.770 3.787) 3.870 3.281 ( 0.411 1.063 -3.599) 3.775 3.334 ( -2.359 -0.396 0.913) 2.560 3.355 ( 3.103 -0.255 -0.117) 3.116 3.431 ( 8.279 -0.130 3.929) 9.165 3.497 ( 6.262 -0.786 -0.717) 6.352 3.563 ( 1.349 -1.863 -0.111) 2.303 3.572 ( -0.303 -0.536 0.274) 0.674 3.752 ( -2.448 -1.026 1.727) 3.166 3.819 ( -0.331 -0.566 -4.417) 4.466 3.941 ( 2.766 -0.614 1.055) 3.023 3.968 ( 0.637 0.169 -2.235) 2.330 4.386 ( 0.171 0.572 3.855) 3.901 4.489 ( 2.846 0.327 -6.720) 7.306 4.869 ( -5.934 0.274 8.049) 10.004 4.987 ( -4.978 0.741 -4.551) 6.785 8.241 ( -1.709 -0.073 0.853) 1.911 8.262 ( -2.287 -0.200 -0.995) 2.502 8.495 ( -18.000 -0.033 12.535) 21.935 8.631 ( -15.891 0.089 -2.276) 16.054 9.061 ( 2.695 -0.014 22.758) 22.917 9.450 ( -7.042 0.123 -14.788) 16.380 9.581 ( -31.851 0.012 4.206) 32.127 9.676 ( -15.903 0.044 -3.747) 16.339 10.700 ( -6.116 -0.410 6.670) 9.059 10.889 ( -9.715 -0.303 -8.051) 12.621 11.393 ( -9.926 0.694 0.061) 9.951 11.450 ( -8.857 -0.132 2.998) 9.352 11.545 ( -14.026 0.486 -4.107) 14.623 11.571 ( -18.902 -0.229 -13.573) 23.271 11.982 ( 0.934 0.871 11.929) 11.997 12.150 ( -16.739 0.433 -2.278) 16.899 12.282 ( 6.705 0.482 6.605) 9.424 12.418 ( 1.563 -0.042 -8.962) 9.097 12.521 ( -0.336 1.758 -1.105) 2.103 12.617 ( -16.009 0.434 -9.309) 18.524 14.049 ( -2.103 -3.525 9.507) 10.355 14.196 ( 17.473 -1.047 -4.150) 17.990 14.449 ( 0.861 -1.450 -0.105) 1.689 14.495 ( 2.824 -0.753 2.997) 4.187 14.703 ( -16.872 -2.570 10.799) 20.196 15.014 ( -12.006 -1.528 -16.724) 20.644 16.219 ( 10.885 -0.569 9.458) 14.431 16.324 ( 15.741 0.087 3.841) 16.203 16.445 ( 13.498 0.326 2.991) 13.830 16.643 ( 14.277 1.706 -12.154) 18.827 ======================= Grid point 246 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.288 ( -2.404 6.865 2.596) 7.723 1.332 ( -4.754 3.665 -1.817) 6.272 1.511 ( -10.846 3.879 6.033) 13.003 1.558 ( -18.217 -0.289 -1.146) 18.256 1.674 ( -6.945 -4.367 11.203) 13.885 1.988 ( -0.058 -1.580 -16.315) 16.391 2.043 ( 1.391 0.586 5.348) 5.557 2.108 ( 1.134 -1.672 -0.969) 2.241 2.351 ( -5.342 2.196 3.029) 6.522 2.423 ( -2.771 0.704 -3.237) 4.319 2.470 ( -0.941 1.168 1.591) 2.187 2.531 ( 0.769 0.284 -3.909) 3.994 2.920 ( 3.357 -1.270 3.395) 4.940 2.996 ( 4.148 -0.514 -4.775) 6.346 3.156 ( -3.540 0.564 4.024) 5.389 3.228 ( -3.454 0.401 -3.648) 5.040 3.343 ( 2.900 0.848 3.979) 4.996 3.412 ( 3.099 3.343 -1.666) 4.853 3.557 ( 0.309 -1.856 2.064) 2.793 3.579 ( 3.595 -2.665 -1.205) 4.635 3.610 ( 6.072 -1.017 3.183) 6.930 3.659 ( 4.227 -0.439 -2.099) 4.740 3.735 ( 0.636 -2.822 1.573) 3.292 3.807 ( -0.408 -0.766 -5.049) 5.123 4.008 ( 2.752 -1.174 1.127) 3.197 4.015 ( 3.563 -2.354 0.199) 4.275 4.376 ( -0.665 1.339 5.615) 5.811 4.522 ( 0.476 1.524 -9.584) 9.716 4.753 ( -5.580 0.091 7.528) 9.371 4.873 ( -5.124 1.209 -5.003) 7.262 8.139 ( -16.343 0.239 12.855) 20.794 8.225 ( -0.315 -0.400 0.156) 0.533 8.248 ( -2.840 -0.679 -2.064) 3.576 8.286 ( -20.401 0.052 -2.966) 20.616 8.906 ( -26.351 0.008 4.657) 26.759 8.990 ( -27.728 -0.261 -4.289) 28.059 9.216 ( 0.746 0.235 26.285) 26.297 9.717 ( 7.139 0.887 -21.331) 22.511 10.484 ( -22.904 -0.539 -0.345) 22.913 10.495 ( -33.021 -0.492 -0.377) 33.027 11.118 ( -14.672 0.230 4.223) 15.269 11.165 ( -14.767 -0.257 2.777) 15.028 11.284 ( -8.822 0.260 -7.212) 11.398 11.314 ( -11.163 -0.803 -8.652) 14.146 11.909 ( -7.347 -0.052 10.952) 13.188 12.033 ( 3.641 0.661 1.975) 4.195 12.315 ( -7.848 -0.224 -7.125) 10.602 12.358 ( -1.264 0.152 -8.468) 8.563 12.487 ( 6.713 3.552 11.469) 13.756 12.714 ( 12.224 5.749 -10.852) 17.328 13.927 ( -14.433 -13.256 30.965) 36.645 14.411 ( -4.926 -1.006 10.720) 11.841 14.436 ( 0.650 -5.115 -10.992) 12.141 14.554 ( 9.009 -0.979 6.833) 11.350 14.686 ( 7.166 -0.532 -7.830) 10.628 14.833 ( -8.879 -4.731 -25.398) 27.318 16.429 ( 10.010 -1.484 10.877) 14.856 16.584 ( 11.386 -1.028 -3.877) 12.072 16.675 ( 12.191 2.010 8.145) 14.799 16.887 ( 13.957 3.053 -12.005) 18.661 ======================= Grid point 247 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.044 ( -20.283 3.767 5.714) 21.407 1.160 ( -10.683 3.801 -5.122) 12.442 1.250 ( -7.957 5.740 2.477) 10.119 1.324 ( -2.469 6.611 -5.351) 8.857 1.629 ( -1.703 -0.331 20.002) 20.078 1.988 ( -0.641 -0.228 -12.243) 12.262 2.055 ( 0.844 0.779 6.775) 6.871 2.116 ( -2.386 -2.369 8.655) 9.285 2.271 ( -1.190 1.696 -5.640) 6.009 2.369 ( -2.248 -0.125 -10.295) 10.538 2.473 ( 0.939 0.362 3.205) 3.360 2.550 ( 1.479 0.576 -5.404) 5.632 2.959 ( -0.432 -0.961 3.856) 3.998 3.051 ( 0.790 -0.001 -5.776) 5.830 3.116 ( -0.364 -0.809 4.619) 4.704 3.187 ( -0.249 0.128 -2.946) 2.959 3.380 ( 2.156 3.461 4.262) 5.899 3.421 ( 1.274 2.083 0.735) 2.549 3.558 ( -0.241 1.212 5.256) 5.399 3.649 ( 0.690 1.055 -4.511) 4.684 3.676 ( 0.709 -4.490 0.890) 4.632 3.719 ( 3.019 -2.741 -4.149) 5.817 3.838 ( 1.815 -1.073 0.746) 2.237 3.851 ( 6.874 -1.931 -0.860) 7.191 4.070 ( 1.607 -3.510 2.060) 4.376 4.101 ( 2.256 -5.061 -1.186) 5.666 4.343 ( -1.138 1.561 3.828) 4.288 4.453 ( -5.422 1.736 -7.371) 9.314 4.686 ( -1.717 0.006 6.954) 7.163 4.832 ( 1.818 2.209 -8.754) 9.209 7.855 ( -12.308 0.104 9.439) 15.511 7.930 ( -15.816 -0.046 -0.272) 15.818 8.240 ( 0.616 -0.612 -0.413) 0.961 8.255 ( 2.609 -0.613 -1.466) 3.055 8.469 ( -17.661 -0.333 5.079) 18.380 8.579 ( -16.430 -0.375 -4.883) 17.144 9.286 ( 4.901 0.782 27.379) 27.826 9.811 ( -2.493 1.186 -21.744) 21.918 9.832 ( -27.429 -0.010 0.348) 27.432 9.963 ( -27.466 -0.041 -8.140) 28.646 10.922 ( -9.183 0.225 6.215) 11.091 11.008 ( -2.461 -0.459 2.236) 3.357 11.133 ( -6.629 -1.775 -2.511) 7.308 11.230 ( -1.111 -0.690 -6.325) 6.458 11.827 ( -2.533 -0.081 10.655) 10.952 12.066 ( -0.407 -0.009 -12.621) 12.627 12.222 ( -0.785 0.302 4.685) 4.760 12.355 ( 0.474 0.049 -7.062) 7.078 12.568 ( 4.423 4.887 15.416) 16.766 12.800 ( 3.851 8.622 -6.877) 11.682 13.844 ( -8.837 -20.865 44.419) 49.864 14.303 ( -4.029 -0.136 16.859) 17.334 14.514 ( 0.434 -3.508 -15.138) 15.545 14.666 ( -0.162 -5.081 -7.628) 9.167 14.768 ( 3.870 -3.202 -15.677) 16.462 14.860 ( 3.094 -6.217 -17.646) 18.963 16.589 ( 5.439 -2.173 10.600) 12.111 16.750 ( 5.324 -1.898 -6.604) 8.693 16.841 ( 7.747 3.520 11.020) 13.923 17.082 ( 9.585 4.048 -14.209) 17.611 ======================= Grid point 248 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.772 ( -0.000 3.797 10.446) 11.115 0.986 ( -0.000 1.005 -12.496) 12.537 1.130 ( -0.000 11.531 5.710) 12.867 1.235 ( -0.000 9.883 -6.531) 11.846 1.607 ( -0.000 0.958 23.357) 23.376 1.977 ( -0.000 0.597 -6.496) 6.523 2.063 ( -0.000 0.381 1.823) 1.862 2.097 ( 0.000 -2.368 15.001) 15.187 2.257 ( -0.000 1.027 -10.157) 10.209 2.351 ( 0.000 -0.875 -12.109) 12.141 2.483 ( -0.000 0.013 2.937) 2.937 2.564 ( -0.000 0.005 -6.244) 6.244 2.949 ( 0.000 -0.245 4.515) 4.521 3.047 ( -0.000 0.607 -5.836) 5.867 3.132 ( 0.000 -1.776 4.214) 4.573 3.190 ( -0.000 0.777 -1.445) 1.641 3.367 ( -0.000 3.534 3.590) 5.038 3.420 ( -0.000 2.538 -0.722) 2.639 3.538 ( -0.000 2.230 6.134) 6.527 3.636 ( -0.000 1.431 -4.295) 4.527 3.729 ( 0.000 -5.078 1.155) 5.208 3.773 ( 0.000 -2.054 -3.913) 4.420 3.858 ( 0.000 -0.556 3.670) 3.712 3.936 ( 0.000 -0.255 -4.455) 4.462 4.125 ( 0.000 -5.765 2.495) 6.282 4.179 ( 0.000 -8.111 -3.092) 8.680 4.320 ( -0.000 1.081 2.303) 2.544 4.379 ( -0.000 0.672 -3.622) 3.684 4.673 ( -0.000 0.405 6.778) 6.790 4.838 ( -0.000 3.548 -11.693) 12.219 7.733 ( -0.000 0.172 7.212) 7.214 7.774 ( -0.000 0.035 0.806) 0.807 8.259 ( -0.000 0.180 8.051) 8.053 8.304 ( 0.000 -1.474 -0.988) 1.774 8.314 ( 0.000 -1.359 -1.650) 2.138 8.408 ( -0.000 0.229 -5.280) 5.285 9.363 ( -0.000 1.603 27.189) 27.236 9.462 ( 0.000 -0.025 5.524) 5.524 9.632 ( 0.000 -0.002 -12.251) 12.251 9.857 ( -0.000 2.317 -23.578) 23.692 10.832 ( -0.000 0.084 6.590) 6.591 10.983 ( 0.000 -0.063 -9.611) 9.611 11.102 ( 0.000 -2.970 8.399) 8.909 11.230 ( 0.000 -0.824 -4.978) 5.045 11.805 ( 0.000 -0.079 10.307) 10.307 12.052 ( 0.000 -0.033 -16.118) 16.118 12.231 ( 0.000 -0.070 7.969) 7.969 12.361 ( 0.000 -0.022 -5.903) 5.903 12.565 ( -0.000 5.728 14.738) 15.812 12.753 ( -0.000 8.446 -1.285) 8.543 13.955 ( 0.000 -25.503 48.158) 54.494 14.267 ( 0.000 -0.069 15.861) 15.861 14.518 ( 0.000 -0.099 -10.972) 10.972 14.725 ( 0.000 -6.107 -4.677) 7.692 14.842 ( 0.000 -3.088 -11.298) 11.712 14.967 ( 0.000 -13.966 -30.319) 33.381 16.658 ( 0.000 -2.291 10.184) 10.438 16.814 ( 0.000 -2.046 -6.696) 7.001 16.884 ( -0.000 3.920 11.278) 11.940 17.139 ( -0.000 5.012 -15.904) 16.675 ======================= Grid point 255 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.349 ( -4.042 -0.000 2.287) 4.644 1.367 ( -1.280 -0.000 -1.496) 1.969 1.542 ( -18.428 -0.000 1.270) 18.471 1.569 ( -15.252 -0.000 -1.925) 15.373 1.620 ( -1.797 -0.000 16.453) 16.550 1.974 ( 0.507 0.000 -18.055) 18.062 2.048 ( 1.699 0.000 5.020) 5.299 2.093 ( 0.654 0.000 -0.284) 0.713 2.373 ( -6.051 -0.000 3.110) 6.803 2.426 ( -1.713 -0.000 -0.559) 1.802 2.483 ( -2.848 -0.000 -0.340) 2.868 2.532 ( 1.471 0.000 -3.743) 4.022 2.909 ( 3.392 0.000 3.674) 5.000 2.992 ( 4.165 0.000 -5.206) 6.667 3.161 ( -4.127 -0.000 4.005) 5.751 3.231 ( -3.701 -0.000 -3.543) 5.124 3.352 ( 4.027 0.000 5.433) 6.763 3.470 ( 6.968 0.000 -6.219) 9.340 3.496 ( -1.427 -0.000 4.876) 5.080 3.563 ( 1.516 0.000 -1.656) 2.245 3.602 ( 6.044 0.000 3.290) 6.882 3.657 ( 4.703 0.000 -2.468) 5.311 3.712 ( 0.635 0.000 2.815) 2.886 3.799 ( -0.642 -0.000 -5.424) 5.462 3.996 ( 3.211 0.000 1.085) 3.390 4.000 ( 2.242 0.000 0.840) 2.394 4.388 ( -0.548 -0.000 5.440) 5.467 4.535 ( 0.863 0.000 -9.941) 9.978 4.753 ( -5.857 -0.000 8.179) 10.060 4.883 ( -5.236 -0.000 -5.446) 7.555 8.141 ( -16.582 -0.000 12.913) 21.017 8.222 ( -0.490 -0.000 0.076) 0.496 8.242 ( -2.683 -0.000 -2.086) 3.399 8.287 ( -20.256 -0.000 -2.971) 20.473 8.906 ( -26.417 -0.000 4.576) 26.811 8.988 ( -27.763 -0.000 -4.185) 28.077 9.218 ( 0.937 0.000 26.433) 26.450 9.725 ( 7.283 0.000 -21.760) 22.947 10.480 ( -21.656 -0.000 -0.421) 21.660 10.491 ( -33.964 -0.000 -0.212) 33.965 11.121 ( -15.121 -0.000 4.995) 15.925 11.162 ( -14.778 -0.000 2.903) 15.061 11.288 ( -8.346 -0.000 -6.913) 10.837 11.306 ( -12.171 -0.000 -9.605) 15.504 11.909 ( -7.401 -0.000 10.968) 13.231 12.038 ( 3.264 0.000 1.220) 3.485 12.313 ( -7.727 -0.000 -7.130) 10.514 12.358 ( -1.338 -0.000 -8.709) 8.811 12.519 ( 7.241 0.000 12.781) 14.690 12.767 ( 13.394 0.000 -12.362) 18.227 13.811 ( -16.503 -0.000 33.607) 37.441 14.376 ( 3.164 0.000 -24.327) 24.532 14.414 ( -8.479 -0.000 19.715) 21.461 14.546 ( 9.630 0.000 6.779) 11.777 14.682 ( 8.799 0.000 -7.463) 11.538 14.798 ( -9.989 -0.000 -23.426) 25.467 16.416 ( 9.896 0.000 10.891) 14.716 16.574 ( 10.947 0.000 -5.153) 12.099 16.693 ( 12.728 0.000 9.757) 16.037 16.912 ( 13.822 0.000 -12.141) 18.397 ======================= Grid point 257 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 1.087 ( -21.706 1.409 4.438) 22.200 1.191 ( -16.525 0.645 -6.721) 17.851 1.330 ( -1.793 2.813 5.123) 6.113 1.405 ( -0.287 2.682 -4.924) 5.614 1.625 ( 0.314 -0.150 17.604) 17.608 1.984 ( 0.400 -0.161 -16.640) 16.645 2.071 ( 0.762 0.787 9.299) 9.364 2.085 ( -1.728 -1.177 8.804) 9.049 2.294 ( -1.955 0.829 -4.870) 5.312 2.368 ( -3.163 0.027 -10.194) 10.673 2.476 ( 0.662 0.060 3.866) 3.923 2.559 ( 1.358 0.337 -5.132) 5.319 2.948 ( 0.459 -0.373 4.307) 4.348 3.050 ( 1.456 -0.068 -6.431) 6.594 3.107 ( -1.337 -0.298 5.166) 5.345 3.188 ( -0.576 -0.015 -3.622) 3.667 3.425 ( 2.960 0.996 6.355) 7.081 3.463 ( 0.439 3.820 4.626) 6.015 3.550 ( 1.209 -3.175 1.682) 3.791 3.611 ( -1.858 -1.611 2.423) 3.453 3.662 ( 4.384 0.301 -7.604) 8.782 3.684 ( 0.868 -1.138 -4.938) 5.141 3.824 ( 2.252 -0.478 0.398) 2.337 3.829 ( 8.095 -0.734 -0.346) 8.136 4.031 ( 0.510 -1.146 1.812) 2.204 4.045 ( 1.001 -1.584 0.416) 1.919 4.365 ( -1.207 0.794 3.532) 3.816 4.476 ( -5.998 0.877 -7.972) 10.015 4.684 ( -1.654 -0.143 8.452) 8.614 4.856 ( 2.300 0.730 -10.085) 10.369 7.856 ( -12.297 0.045 9.304) 15.420 7.930 ( -15.757 -0.014 -0.230) 15.759 8.232 ( 0.713 -0.238 -0.499) 0.903 8.247 ( 2.524 -0.238 -1.545) 2.969 8.466 ( -17.930 -0.090 5.121) 18.647 8.575 ( -16.245 -0.095 -4.791) 16.937 9.295 ( 5.158 0.298 27.582) 28.062 9.825 ( -9.463 0.582 -16.925) 19.399 9.831 ( -21.815 -0.166 -5.006) 22.383 9.965 ( -24.948 0.095 -7.387) 26.019 10.925 ( -9.546 0.137 6.242) 11.407 11.000 ( -1.762 -0.312 5.022) 5.331 11.113 ( -7.656 -0.572 -4.218) 8.759 11.221 ( -1.161 -0.290 -7.162) 7.261 11.826 ( -2.518 -0.031 10.648) 10.942 12.066 ( -0.625 -0.008 -12.975) 12.990 12.224 ( -0.878 0.057 4.500) 4.586 12.356 ( 0.427 -0.010 -7.104) 7.117 12.625 ( 3.623 1.787 17.526) 17.985 12.928 ( 5.924 5.375 -13.518) 15.707 13.587 ( -9.821 -9.019 49.708) 51.465 14.301 ( -3.925 -0.045 16.744) 17.198 14.435 ( 2.608 -3.839 -29.961) 30.318 14.606 ( -5.556 -1.417 -15.866) 16.871 14.739 ( 4.383 -0.597 -6.735) 8.058 14.821 ( 5.216 -0.644 -6.574) 8.417 16.562 ( 5.369 -0.864 10.922) 12.201 16.727 ( 5.393 -0.740 -6.841) 8.742 16.883 ( 7.769 1.329 11.561) 13.992 17.127 ( 9.279 1.376 -14.072) 16.912 ======================= Grid point 258 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.826 ( -0.000 2.466 7.937) 8.311 0.998 ( -0.000 0.459 -10.577) 10.587 1.281 ( -0.000 6.272 5.749) 8.508 1.371 ( -0.000 6.008 -5.761) 8.324 1.623 ( -0.000 0.823 18.901) 18.919 1.987 ( -0.000 0.454 -15.442) 15.448 2.063 ( 0.000 -1.561 15.914) 15.991 2.078 ( -0.000 1.118 9.279) 9.346 2.274 ( -0.000 0.903 -9.497) 9.539 2.338 ( 0.000 -0.626 -13.416) 13.430 2.483 ( -0.000 0.034 3.759) 3.759 2.570 ( -0.000 0.436 -5.744) 5.760 2.947 ( 0.000 -0.042 5.165) 5.165 3.055 ( -0.000 0.394 -6.356) 6.368 3.107 ( 0.000 -1.173 5.463) 5.588 3.192 ( 0.000 -0.227 -3.513) 3.520 3.436 ( -0.000 4.392 4.904) 6.583 3.441 ( -0.000 0.564 3.555) 3.599 3.569 ( -0.000 1.372 5.779) 5.940 3.631 ( 0.000 -6.357 1.647) 6.567 3.656 ( -0.000 0.861 -3.446) 3.552 3.745 ( 0.000 -1.288 -8.889) 8.982 3.850 ( 0.000 -0.375 3.748) 3.767 3.933 ( 0.000 -0.156 -4.761) 4.764 4.049 ( 0.000 -3.161 1.282) 3.411 4.069 ( 0.000 -4.792 -0.666) 4.838 4.344 ( -0.000 1.386 1.619) 2.131 4.395 ( -0.000 1.051 -3.706) 3.852 4.675 ( 0.000 -0.068 8.870) 8.870 4.882 ( -0.000 1.730 -13.747) 13.855 7.735 ( -0.000 0.112 7.093) 7.094 7.774 ( -0.000 0.020 0.886) 0.886 8.262 ( -0.000 0.113 8.106) 8.107 8.285 ( 0.000 -0.840 -1.068) 1.359 8.296 ( 0.000 -0.762 -1.914) 2.060 8.411 ( -0.000 0.140 -5.299) 5.301 9.386 ( -0.000 1.009 27.986) 28.004 9.462 ( 0.000 -0.013 5.527) 5.527 9.632 ( -0.000 0.001 -12.282) 12.282 9.890 ( -0.000 1.551 -23.571) 23.622 10.833 ( -0.000 0.054 6.509) 6.509 10.982 ( 0.000 -0.038 -9.467) 9.467 11.061 ( 0.000 -1.826 9.941) 10.107 11.217 ( 0.000 -0.587 -6.023) 6.051 11.804 ( 0.000 -0.049 10.343) 10.343 12.051 ( 0.000 -0.024 -16.118) 16.118 12.230 ( 0.000 -0.042 7.950) 7.950 12.361 ( 0.000 -0.014 -5.957) 5.957 12.634 ( -0.000 2.672 17.737) 17.937 12.909 ( -0.000 9.537 -6.471) 11.525 13.610 ( 0.000 -16.146 49.004) 51.596 14.266 ( 0.000 -0.044 15.839) 15.839 14.516 ( 0.000 -0.061 -10.952) 10.952 14.556 ( 0.000 -10.178 -39.058) 40.362 14.796 ( 0.000 -1.379 -4.692) 4.891 14.877 ( 0.000 -1.308 -7.107) 7.227 16.623 ( 0.000 -1.670 10.700) 10.829 16.785 ( 0.000 -1.327 -6.891) 7.018 16.940 ( -0.000 2.524 12.047) 12.308 17.201 ( -0.000 2.520 -15.515) 15.718 ======================= Grid point 268 (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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 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| 0.848 ( -0.000 0.000 6.882) 6.882 1.002 ( -0.000 0.000 -9.721) 9.721 1.334 ( -0.000 0.000 6.243) 6.243 1.423 ( -0.000 0.000 -5.656) 5.656 1.631 ( -0.000 0.000 17.130) 17.130 1.991 ( -0.000 0.000 -17.932) 17.932 2.049 ( -0.000 0.000 16.274) 16.274 2.089 ( -0.000 0.000 11.076) 11.076 2.282 ( -0.000 0.000 -9.256) 9.256 2.332 ( -0.000 0.000 -13.914) 13.914 2.484 ( -0.000 0.000 4.300) 4.300 2.574 ( -0.000 0.000 -5.651) 5.651 2.947 ( -0.000 0.000 5.387) 5.387 3.059 ( -0.000 0.000 -6.529) 6.529 3.096 ( -0.000 0.000 5.787) 5.787 3.189 ( -0.000 0.000 -4.104) 4.104 3.440 ( -0.000 0.000 5.288) 5.288 3.518 ( -0.000 0.000 11.585) 11.585 3.535 ( -0.000 0.000 -4.470) 4.470 3.580 ( -0.000 0.000 5.639) 5.639 3.663 ( -0.000 0.000 -3.108) 3.108 3.733 ( -0.000 0.000 -11.038) 11.038 3.846 ( -0.000 0.000 3.778) 3.778 3.931 ( -0.000 0.000 -4.890) 4.890 4.024 ( -0.000 0.000 0.657) 0.657 4.027 ( -0.000 0.000 0.448) 0.448 4.356 ( -0.000 0.000 1.381) 1.381 4.405 ( -0.000 0.000 -3.772) 3.772 4.674 ( -0.000 0.000 9.757) 9.757 4.896 ( -0.000 0.000 -14.411) 14.411 7.736 ( -0.000 0.000 7.047) 7.047 7.775 ( -0.000 0.000 0.918) 0.918 8.263 ( -0.000 0.000 8.126) 8.126 8.278 ( -0.000 0.000 -1.093) 1.093 8.289 ( -0.000 0.000 -2.005) 2.005 8.412 ( -0.000 0.000 -5.305) 5.305 9.394 ( -0.000 0.000 28.304) 28.304 9.462 ( -0.000 0.000 5.528) 5.528 9.632 ( -0.000 0.000 -12.293) 12.293 9.904 ( -0.000 0.000 -23.616) 23.616 10.834 ( -0.000 0.000 6.478) 6.478 10.982 ( -0.000 0.000 -9.411) 9.411 11.045 ( -0.000 0.000 10.422) 10.422 11.212 ( -0.000 0.000 -6.426) 6.426 11.804 ( -0.000 0.000 10.356) 10.356 12.051 ( -0.000 0.000 -16.115) 16.115 12.229 ( -0.000 0.000 7.940) 7.940 12.361 ( -0.000 0.000 -5.977) 5.977 12.656 ( -0.000 0.000 19.476) 19.476 13.011 ( -0.000 0.000 -17.474) 17.474 13.456 ( -0.000 0.000 57.559) 57.559 14.266 ( -0.000 0.000 15.831) 15.831 14.466 ( -0.000 0.000 -44.711) 44.711 14.516 ( -0.000 0.000 -10.944) 10.944 14.786 ( -0.000 0.000 -1.732) 1.732 14.868 ( -0.000 0.000 -5.768) 5.768 16.608 ( -0.000 0.000 10.932) 10.932 16.774 ( -0.000 0.000 -6.996) 6.996 16.962 ( -0.000 0.000 12.161) 12.161 17.222 ( -0.000 0.000 -15.288) 15.288 =================== 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 10.0 388.536 237.007 424.575 0.000 0.000 -0.000 3/30000 20.0 119.791 43.903 119.268 0.000 0.000 -0.000 3/30000 30.0 49.122 16.140 50.101 0.000 0.000 -0.000 3/30000 40.0 28.209 8.703 29.320 0.000 0.000 -0.000 3/30000 50.0 19.553 5.785 20.503 0.000 0.000 -0.000 3/30000 60.0 15.051 4.319 15.798 0.000 0.000 -0.000 3/30000 70.0 12.332 3.453 12.888 0.000 0.000 -0.000 3/30000 80.0 10.513 2.883 10.903 0.000 0.000 -0.000 3/30000 90.0 9.206 2.479 9.457 0.000 0.000 -0.000 3/30000 100.0 8.217 2.178 8.353 0.000 0.000 -0.000 3/30000 110.0 7.437 1.944 7.482 0.000 0.000 -0.000 3/30000 120.0 6.806 1.758 6.778 0.000 0.000 -0.000 3/30000 130.0 6.282 1.606 6.198 0.000 0.000 -0.000 3/30000 140.0 5.839 1.480 5.711 0.000 0.000 -0.000 3/30000 150.0 5.459 1.373 5.297 0.000 0.000 -0.000 3/30000 160.0 5.129 1.282 4.941 0.000 0.000 -0.000 3/30000 170.0 4.839 1.204 4.631 0.000 0.000 -0.000 3/30000 180.0 4.582 1.135 4.360 0.000 0.000 -0.000 3/30000 190.0 4.352 1.074 4.120 0.000 0.000 -0.000 3/30000 200.0 4.145 1.020 3.905 0.000 0.000 -0.000 3/30000 210.0 3.958 0.971 3.713 0.000 0.000 -0.000 3/30000 220.0 3.787 0.927 3.540 0.000 0.000 -0.000 3/30000 230.0 3.631 0.887 3.383 0.000 0.000 -0.000 3/30000 240.0 3.488 0.851 3.239 0.000 0.000 -0.000 3/30000 250.0 3.356 0.817 3.108 0.000 0.000 -0.000 3/30000 260.0 3.233 0.787 2.987 0.000 0.000 -0.000 3/30000 270.0 3.120 0.758 2.875 0.000 0.000 -0.000 3/30000 280.0 3.014 0.732 2.772 0.000 0.000 -0.000 3/30000 290.0 2.915 0.707 2.676 0.000 0.000 -0.000 3/30000 300.0 2.823 0.685 2.586 0.000 0.000 -0.000 3/30000 310.0 2.736 0.663 2.503 0.000 0.000 -0.000 3/30000 320.0 2.654 0.643 2.425 0.000 0.000 -0.000 3/30000 330.0 2.577 0.624 2.351 0.000 0.000 -0.000 3/30000 340.0 2.505 0.606 2.282 0.000 0.000 -0.000 3/30000 350.0 2.436 0.590 2.217 0.000 0.000 -0.000 3/30000 360.0 2.371 0.574 2.156 0.000 0.000 -0.000 3/30000 370.0 2.310 0.559 2.098 0.000 0.000 -0.000 3/30000 380.0 2.251 0.544 2.043 0.000 0.000 -0.000 3/30000 390.0 2.196 0.531 1.991 0.000 0.000 -0.000 3/30000 400.0 2.143 0.518 1.941 0.000 0.000 -0.000 3/30000 410.0 2.093 0.506 1.894 0.000 0.000 -0.000 3/30000 420.0 2.045 0.494 1.850 0.000 0.000 -0.000 3/30000 430.0 1.999 0.483 1.807 0.000 0.000 -0.000 3/30000 440.0 1.955 0.472 1.766 0.000 0.000 -0.000 3/30000 450.0 1.913 0.462 1.727 0.000 0.000 -0.000 3/30000 460.0 1.872 0.452 1.690 0.000 0.000 -0.000 3/30000 470.0 1.834 0.443 1.654 0.000 0.000 -0.000 3/30000 480.0 1.797 0.434 1.620 0.000 0.000 -0.000 3/30000 490.0 1.761 0.425 1.587 0.000 0.000 -0.000 3/30000 500.0 1.727 0.417 1.556 0.000 0.000 -0.000 3/30000 510.0 1.694 0.409 1.525 0.000 0.000 -0.000 3/30000 520.0 1.662 0.401 1.496 0.000 0.000 -0.000 3/30000 530.0 1.631 0.394 1.468 0.000 0.000 -0.000 3/30000 540.0 1.602 0.387 1.441 0.000 0.000 -0.000 3/30000 550.0 1.574 0.380 1.415 0.000 0.000 -0.000 3/30000 560.0 1.546 0.373 1.390 0.000 0.000 -0.000 3/30000 570.0 1.520 0.367 1.366 0.000 0.000 -0.000 3/30000 580.0 1.494 0.361 1.342 0.000 0.000 -0.000 3/30000 590.0 1.469 0.355 1.320 0.000 0.000 -0.000 3/30000 600.0 1.445 0.349 1.298 0.000 0.000 -0.000 3/30000 610.0 1.422 0.343 1.277 0.000 0.000 -0.000 3/30000 620.0 1.400 0.338 1.256 0.000 0.000 -0.000 3/30000 630.0 1.378 0.332 1.237 0.000 0.000 -0.000 3/30000 640.0 1.357 0.327 1.217 0.000 0.000 -0.000 3/30000 650.0 1.336 0.322 1.199 0.000 0.000 -0.000 3/30000 660.0 1.316 0.318 1.181 0.000 0.000 -0.000 3/30000 670.0 1.297 0.313 1.163 0.000 0.000 -0.000 3/30000 680.0 1.278 0.308 1.146 0.000 0.000 -0.000 3/30000 690.0 1.260 0.304 1.130 0.000 0.000 -0.000 3/30000 700.0 1.243 0.300 1.114 0.000 0.000 -0.000 3/30000 710.0 1.225 0.296 1.098 0.000 0.000 -0.000 3/30000 720.0 1.209 0.292 1.083 0.000 0.000 -0.000 3/30000 730.0 1.192 0.288 1.068 0.000 0.000 -0.000 3/30000 740.0 1.176 0.284 1.054 0.000 0.000 -0.000 3/30000 750.0 1.161 0.280 1.040 0.000 0.000 -0.000 3/30000 760.0 1.146 0.276 1.026 0.000 0.000 -0.000 3/30000 770.0 1.131 0.273 1.013 0.000 0.000 -0.000 3/30000 780.0 1.117 0.269 1.000 0.000 0.000 -0.000 3/30000 790.0 1.103 0.266 0.988 0.000 0.000 -0.000 3/30000 800.0 1.089 0.263 0.975 0.000 0.000 -0.000 3/30000 810.0 1.076 0.260 0.963 0.000 0.000 -0.000 3/30000 820.0 1.063 0.256 0.952 0.000 0.000 -0.000 3/30000 830.0 1.051 0.253 0.940 0.000 0.000 -0.000 3/30000 840.0 1.038 0.250 0.929 0.000 0.000 -0.000 3/30000 850.0 1.026 0.248 0.918 0.000 0.000 -0.000 3/30000 860.0 1.014 0.245 0.908 0.000 0.000 -0.000 3/30000 870.0 1.003 0.242 0.897 0.000 0.000 -0.000 3/30000 880.0 0.992 0.239 0.887 0.000 0.000 -0.000 3/30000 890.0 0.981 0.237 0.877 0.000 0.000 -0.000 3/30000 900.0 0.970 0.234 0.867 0.000 0.000 -0.000 3/30000 910.0 0.959 0.231 0.858 0.000 0.000 -0.000 3/30000 920.0 0.949 0.229 0.849 0.000 0.000 -0.000 3/30000 930.0 0.939 0.226 0.840 0.000 0.000 -0.000 3/30000 940.0 0.929 0.224 0.831 0.000 0.000 -0.000 3/30000 950.0 0.919 0.222 0.822 0.000 0.000 -0.000 3/30000 960.0 0.910 0.219 0.814 0.000 0.000 -0.000 3/30000 970.0 0.901 0.217 0.805 0.000 0.000 -0.000 3/30000 980.0 0.892 0.215 0.797 0.000 0.000 -0.000 3/30000 990.0 0.883 0.213 0.789 0.000 0.000 -0.000 3/30000 1000.0 0.874 0.211 0.781 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 2026-01-08 23:23:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|