----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:54:04]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.325137940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.298089960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.091134599999999 Atomic positions (fractional): *1 Tm 0.93662143772299 0.75000000000000 0.51632585722742 168.934 2 Tm 0.43662143772299 0.75000000000000 0.98367414277258 168.934 3 Tm 0.56337856227701 0.25000000000000 0.01632585722742 168.934 4 Tm 0.06337856227701 0.25000000000000 0.48367414277258 168.934 *5 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 6 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 7 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 8 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 *9 O 0.47166336967248 0.25000000000000 0.59642247221474 15.999 *10 O 0.20092885720793 0.55016920719982 0.69944210845402 15.999 11 O 0.20092885720793 0.94983079280018 0.69944210845402 15.999 12 O 0.70092885720793 0.94983079280018 0.80055789154598 15.999 13 O 0.70092885720793 0.55016920719982 0.80055789154598 15.999 14 O 0.97166336967248 0.25000000000000 0.90357752778526 15.999 15 O 0.02833663032752 0.75000000000000 0.09642247221474 15.999 16 O 0.29907114279207 0.05016920719982 0.19944210845402 15.999 17 O 0.29907114279207 0.44983079280018 0.19944210845402 15.999 18 O 0.79907114279207 0.05016920719982 0.30055789154598 15.999 19 O 0.79907114279207 0.44983079280018 0.30055789154598 15.999 20 O 0.52833663032752 0.75000000000000 0.40357752778526 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.325137940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.298089960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.091134599999999 Atomic positions (fractional): *1 Tm 0.93662143772299 0.75000000000000 0.51632585722742 168.934 > 1 2 Tm 0.43662143772299 0.75000000000000 0.98367414277258 168.934 > 2 3 Tm 0.56337856227701 0.25000000000000 0.01632585722742 168.934 > 3 4 Tm 0.06337856227701 0.25000000000000 0.48367414277258 168.934 > 4 *5 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 5 6 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 6 7 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 7 8 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 8 *9 O 0.47166336967248 0.25000000000000 0.59642247221474 15.999 > 9 *10 O 0.20092885720793 0.55016920719982 0.69944210845402 15.999 > 10 11 O 0.20092885720793 0.94983079280018 0.69944210845402 15.999 > 11 12 O 0.70092885720793 0.94983079280018 0.80055789154598 15.999 > 12 13 O 0.70092885720793 0.55016920719982 0.80055789154598 15.999 > 13 14 O 0.97166336967248 0.25000000000000 0.90357752778526 15.999 > 14 15 O 0.02833663032752 0.75000000000000 0.09642247221474 15.999 > 15 16 O 0.29907114279207 0.05016920719982 0.19944210845402 15.999 > 16 17 O 0.29907114279207 0.44983079280018 0.19944210845402 15.999 > 17 18 O 0.79907114279207 0.05016920719982 0.30055789154598 15.999 > 18 19 O 0.79907114279207 0.44983079280018 0.30055789154598 15.999 > 19 20 O 0.52833663032752 0.75000000000000 0.40357752778526 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.650275880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.298089960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.182269199999999 Atomic positions (fractional): *1 Tm 0.46831071886149 0.75000000000000 0.25816292861371 168.934 > 1 2 Tm 0.96831071886149 0.75000000000000 0.25816292861371 168.934 > 1 3 Tm 0.46831071886149 0.75000000000000 0.75816292861371 168.934 > 1 4 Tm 0.96831071886149 0.75000000000000 0.75816292861371 168.934 > 1 5 Tm 0.21831071886149 0.75000000000000 0.49183707138629 168.934 > 2 6 Tm 0.71831071886149 0.75000000000000 0.49183707138629 168.934 > 2 7 Tm 0.21831071886149 0.75000000000000 0.99183707138629 168.934 > 2 8 Tm 0.71831071886149 0.75000000000000 0.99183707138629 168.934 > 2 9 Tm 0.28168928113851 0.25000000000000 0.00816292861371 168.934 > 3 10 Tm 0.78168928113851 0.25000000000000 0.00816292861371 168.934 > 3 11 Tm 0.28168928113851 0.25000000000000 0.50816292861371 168.934 > 3 12 Tm 0.78168928113851 0.25000000000000 0.50816292861371 168.934 > 3 13 Tm 0.03168928113851 0.25000000000000 0.24183707138629 168.934 > 4 14 Tm 0.53168928113851 0.25000000000000 0.24183707138629 168.934 > 4 15 Tm 0.03168928113851 0.25000000000000 0.74183707138629 168.934 > 4 16 Tm 0.53168928113851 0.25000000000000 0.74183707138629 168.934 > 4 *17 Al 0.25000000000000 0.00000000000000 0.25000000000000 26.982 > 5 18 Al 0.75000000000000 0.00000000000000 0.25000000000000 26.982 > 5 19 Al 0.25000000000000 0.00000000000000 0.75000000000000 26.982 > 5 20 Al 0.75000000000000 0.00000000000000 0.75000000000000 26.982 > 5 21 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 6 22 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 6 23 Al 0.25000000000000 0.50000000000000 0.75000000000000 26.982 > 6 24 Al 0.75000000000000 0.50000000000000 0.75000000000000 26.982 > 6 25 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 7 26 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 7 27 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 7 28 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 7 29 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 8 30 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 8 31 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 8 32 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 8 *33 O 0.23583168483624 0.25000000000000 0.29821123610737 15.999 > 9 34 O 0.73583168483624 0.25000000000000 0.29821123610737 15.999 > 9 35 O 0.23583168483624 0.25000000000000 0.79821123610737 15.999 > 9 36 O 0.73583168483624 0.25000000000000 0.79821123610737 15.999 > 9 *37 O 0.10046442860397 0.55016920719982 0.34972105422701 15.999 > 10 38 O 0.60046442860397 0.55016920719982 0.34972105422701 15.999 > 10 39 O 0.10046442860397 0.55016920719982 0.84972105422701 15.999 > 10 40 O 0.60046442860397 0.55016920719982 0.84972105422701 15.999 > 10 41 O 0.10046442860397 0.94983079280018 0.34972105422701 15.999 > 11 42 O 0.60046442860397 0.94983079280018 0.34972105422701 15.999 > 11 43 O 0.10046442860397 0.94983079280018 0.84972105422701 15.999 > 11 44 O 0.60046442860397 0.94983079280018 0.84972105422701 15.999 > 11 45 O 0.35046442860397 0.94983079280018 0.40027894577299 15.999 > 12 46 O 0.85046442860397 0.94983079280018 0.40027894577299 15.999 > 12 47 O 0.35046442860397 0.94983079280018 0.90027894577299 15.999 > 12 48 O 0.85046442860397 0.94983079280018 0.90027894577299 15.999 > 12 49 O 0.35046442860397 0.55016920719982 0.40027894577299 15.999 > 13 50 O 0.85046442860397 0.55016920719982 0.40027894577299 15.999 > 13 51 O 0.35046442860397 0.55016920719982 0.90027894577299 15.999 > 13 52 O 0.85046442860397 0.55016920719982 0.90027894577299 15.999 > 13 53 O 0.48583168483624 0.25000000000000 0.45178876389263 15.999 > 14 54 O 0.98583168483624 0.25000000000000 0.45178876389263 15.999 > 14 55 O 0.48583168483624 0.25000000000000 0.95178876389263 15.999 > 14 56 O 0.98583168483624 0.25000000000000 0.95178876389263 15.999 > 14 57 O 0.01416831516376 0.75000000000000 0.04821123610737 15.999 > 15 58 O 0.51416831516376 0.75000000000000 0.04821123610737 15.999 > 15 59 O 0.01416831516376 0.75000000000000 0.54821123610737 15.999 > 15 60 O 0.51416831516376 0.75000000000000 0.54821123610737 15.999 > 15 61 O 0.14953557139603 0.05016920719982 0.09972105422701 15.999 > 16 62 O 0.64953557139603 0.05016920719982 0.09972105422701 15.999 > 16 63 O 0.14953557139603 0.05016920719982 0.59972105422701 15.999 > 16 64 O 0.64953557139603 0.05016920719982 0.59972105422701 15.999 > 16 65 O 0.14953557139603 0.44983079280018 0.09972105422701 15.999 > 17 66 O 0.64953557139603 0.44983079280018 0.09972105422701 15.999 > 17 67 O 0.14953557139603 0.44983079280018 0.59972105422701 15.999 > 17 68 O 0.64953557139603 0.44983079280018 0.59972105422701 15.999 > 17 69 O 0.39953557139603 0.05016920719982 0.15027894577299 15.999 > 18 70 O 0.89953557139603 0.05016920719982 0.15027894577299 15.999 > 18 71 O 0.39953557139603 0.05016920719982 0.65027894577299 15.999 > 18 72 O 0.89953557139603 0.05016920719982 0.65027894577299 15.999 > 18 73 O 0.39953557139603 0.44983079280018 0.15027894577299 15.999 > 19 74 O 0.89953557139603 0.44983079280018 0.15027894577299 15.999 > 19 75 O 0.39953557139603 0.44983079280018 0.65027894577299 15.999 > 19 76 O 0.89953557139603 0.44983079280018 0.65027894577299 15.999 > 19 77 O 0.26416831516376 0.75000000000000 0.20178876389263 15.999 > 20 78 O 0.76416831516376 0.75000000000000 0.20178876389263 15.999 > 20 79 O 0.26416831516376 0.75000000000000 0.70178876389263 15.999 > 20 80 O 0.76416831516376 0.75000000000000 0.70178876389263 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0537385 0.0000000 0.0000000 0.0000000 3.9527118 0.0000000 0.0000000 0.0000000 4.1127503 -------------------------- Born effective charges -------------------------- 1 Tm 3.8254881 0.0000000 -0.0265200 0.0000000 3.6092653 0.0000000 0.1747065 0.0000000 3.9545870 2 Tm 3.8254881 0.0000000 0.0265200 0.0000000 3.6092653 0.0000000 -0.1747065 0.0000000 3.9545870 3 Tm 3.8254881 0.0000000 0.0265200 0.0000000 3.6092653 0.0000000 -0.1747065 0.0000000 3.9545870 4 Tm 3.8254881 0.0000000 -0.0265200 0.0000000 3.6092653 0.0000000 0.1747065 0.0000000 3.9545870 5 Al 2.9750631 -0.0698445 -0.2041403 0.0020174 2.9338982 -0.1538923 -0.0310762 0.0311418 2.9114974 6 Al 2.9750631 0.0698445 -0.2041403 -0.0020174 2.9338982 0.1538923 -0.0310762 -0.0311418 2.9114974 7 Al 2.9750631 -0.0698445 0.2041403 0.0020174 2.9338982 0.1538923 0.0310762 -0.0311418 2.9114974 8 Al 2.9750631 0.0698445 0.2041403 -0.0020174 2.9338982 -0.1538923 0.0310762 0.0311418 2.9114974 9 O -2.1138467 0.0000000 -0.2755330 0.0000000 -2.2537145 0.0000000 -0.3665516 0.0000000 -2.3991530 10 O -2.3433523 0.0749121 0.0350428 0.0895814 -2.1447245 -0.1277832 0.0057494 -0.1650824 -2.2334657 11 O -2.3433523 -0.0749121 0.0350428 -0.0895814 -2.1447245 0.1277832 0.0057494 0.1650824 -2.2334657 12 O -2.3433523 -0.0749121 -0.0350428 -0.0895814 -2.1447245 -0.1277832 -0.0057494 -0.1650824 -2.2334657 13 O -2.3433523 0.0749121 -0.0350428 0.0895814 -2.1447245 0.1277832 -0.0057494 0.1650824 -2.2334657 14 O -2.1138467 0.0000000 0.2755330 0.0000000 -2.2537145 0.0000000 0.3665516 0.0000000 -2.3991530 15 O -2.1138467 0.0000000 0.2755330 0.0000000 -2.2537145 0.0000000 0.3665516 0.0000000 -2.3991530 16 O -2.3433523 -0.0749121 -0.0350428 -0.0895814 -2.1447245 -0.1277832 -0.0057494 -0.1650824 -2.2334657 17 O -2.3433523 0.0749121 -0.0350428 0.0895814 -2.1447245 0.1277832 -0.0057494 0.1650824 -2.2334657 18 O -2.3433523 -0.0749121 0.0350428 -0.0895814 -2.1447245 0.1277832 0.0057494 0.1650824 -2.2334657 19 O -2.3433523 0.0749121 0.0350428 0.0895814 -2.1447245 -0.1277832 0.0057494 -0.1650824 -2.2334657 20 O -2.1138467 0.0000000 -0.2755330 0.0000000 -2.2537145 0.0000000 -0.3665516 0.0000000 -2.3991530 ---------------------------------------------------------------------------- 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: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.719 Solver_block: 200 / 320 - Time: 0.727 Solver_block: 300 / 320 - Time: 0.726 Solver_block: 320 / 320 - Time: 0.184 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.373 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:54:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:54:16]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.325137940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.298089960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.091134599999999 Atomic positions (fractional): 1 Tm 0.93662143772299 0.75000000000000 0.51632585722742 168.934 2 Tm 0.43662143772299 0.75000000000000 0.98367414277258 168.934 3 Tm 0.56337856227701 0.25000000000000 0.01632585722742 168.934 4 Tm 0.06337856227701 0.25000000000000 0.48367414277258 168.934 5 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 6 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 7 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 8 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 9 O 0.47166336967248 0.25000000000000 0.59642247221474 15.999 10 O 0.20092885720793 0.55016920719982 0.69944210845402 15.999 11 O 0.20092885720793 0.94983079280018 0.69944210845402 15.999 12 O 0.70092885720793 0.94983079280018 0.80055789154598 15.999 13 O 0.70092885720793 0.55016920719982 0.80055789154598 15.999 14 O 0.97166336967248 0.25000000000000 0.90357752778526 15.999 15 O 0.02833663032752 0.75000000000000 0.09642247221474 15.999 16 O 0.29907114279207 0.05016920719982 0.19944210845402 15.999 17 O 0.29907114279207 0.44983079280018 0.19944210845402 15.999 18 O 0.79907114279207 0.05016920719982 0.30055789154598 15.999 19 O 0.79907114279207 0.44983079280018 0.30055789154598 15.999 20 O 0.52833663032752 0.75000000000000 0.40357752778526 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.650275880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.298089960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.182269199999999 Atomic positions (fractional): 1 Tm 0.46831071886149 0.75000000000000 0.25816292861371 168.934 > 1 2 Tm 0.96831071886149 0.75000000000000 0.25816292861371 168.934 > 1 3 Tm 0.46831071886149 0.75000000000000 0.75816292861371 168.934 > 1 4 Tm 0.96831071886149 0.75000000000000 0.75816292861371 168.934 > 1 5 Tm 0.21831071886149 0.75000000000000 0.49183707138629 168.934 > 5 6 Tm 0.71831071886149 0.75000000000000 0.49183707138629 168.934 > 5 7 Tm 0.21831071886149 0.75000000000000 0.99183707138629 168.934 > 5 8 Tm 0.71831071886149 0.75000000000000 0.99183707138629 168.934 > 5 9 Tm 0.28168928113851 0.25000000000000 0.00816292861371 168.934 > 9 10 Tm 0.78168928113851 0.25000000000000 0.00816292861371 168.934 > 9 11 Tm 0.28168928113851 0.25000000000000 0.50816292861371 168.934 > 9 12 Tm 0.78168928113851 0.25000000000000 0.50816292861371 168.934 > 9 13 Tm 0.03168928113851 0.25000000000000 0.24183707138629 168.934 > 13 14 Tm 0.53168928113851 0.25000000000000 0.24183707138629 168.934 > 13 15 Tm 0.03168928113851 0.25000000000000 0.74183707138629 168.934 > 13 16 Tm 0.53168928113851 0.25000000000000 0.74183707138629 168.934 > 13 17 Al 0.25000000000000 0.00000000000000 0.25000000000000 26.982 > 17 18 Al 0.75000000000000 0.00000000000000 0.25000000000000 26.982 > 17 19 Al 0.25000000000000 0.00000000000000 0.75000000000000 26.982 > 17 20 Al 0.75000000000000 0.00000000000000 0.75000000000000 26.982 > 17 21 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 21 22 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 21 23 Al 0.25000000000000 0.50000000000000 0.75000000000000 26.982 > 21 24 Al 0.75000000000000 0.50000000000000 0.75000000000000 26.982 > 21 25 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 25 26 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 25 27 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 25 28 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 25 29 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 29 30 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 29 31 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 29 32 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 29 33 O 0.23583168483624 0.25000000000000 0.29821123610737 15.999 > 33 34 O 0.73583168483624 0.25000000000000 0.29821123610737 15.999 > 33 35 O 0.23583168483624 0.25000000000000 0.79821123610737 15.999 > 33 36 O 0.73583168483624 0.25000000000000 0.79821123610737 15.999 > 33 37 O 0.10046442860397 0.55016920719982 0.34972105422701 15.999 > 37 38 O 0.60046442860397 0.55016920719982 0.34972105422701 15.999 > 37 39 O 0.10046442860397 0.55016920719982 0.84972105422701 15.999 > 37 40 O 0.60046442860397 0.55016920719982 0.84972105422701 15.999 > 37 41 O 0.10046442860397 0.94983079280018 0.34972105422701 15.999 > 41 42 O 0.60046442860397 0.94983079280018 0.34972105422701 15.999 > 41 43 O 0.10046442860397 0.94983079280018 0.84972105422701 15.999 > 41 44 O 0.60046442860397 0.94983079280018 0.84972105422701 15.999 > 41 45 O 0.35046442860397 0.94983079280018 0.40027894577299 15.999 > 45 46 O 0.85046442860397 0.94983079280018 0.40027894577299 15.999 > 45 47 O 0.35046442860397 0.94983079280018 0.90027894577299 15.999 > 45 48 O 0.85046442860397 0.94983079280018 0.90027894577299 15.999 > 45 49 O 0.35046442860397 0.55016920719982 0.40027894577299 15.999 > 49 50 O 0.85046442860397 0.55016920719982 0.40027894577299 15.999 > 49 51 O 0.35046442860397 0.55016920719982 0.90027894577299 15.999 > 49 52 O 0.85046442860397 0.55016920719982 0.90027894577299 15.999 > 49 53 O 0.48583168483624 0.25000000000000 0.45178876389263 15.999 > 53 54 O 0.98583168483624 0.25000000000000 0.45178876389263 15.999 > 53 55 O 0.48583168483624 0.25000000000000 0.95178876389263 15.999 > 53 56 O 0.98583168483624 0.25000000000000 0.95178876389263 15.999 > 53 57 O 0.01416831516376 0.75000000000000 0.04821123610737 15.999 > 57 58 O 0.51416831516376 0.75000000000000 0.04821123610737 15.999 > 57 59 O 0.01416831516376 0.75000000000000 0.54821123610737 15.999 > 57 60 O 0.51416831516376 0.75000000000000 0.54821123610737 15.999 > 57 61 O 0.14953557139603 0.05016920719982 0.09972105422701 15.999 > 61 62 O 0.64953557139603 0.05016920719982 0.09972105422701 15.999 > 61 63 O 0.14953557139603 0.05016920719982 0.59972105422701 15.999 > 61 64 O 0.64953557139603 0.05016920719982 0.59972105422701 15.999 > 61 65 O 0.14953557139603 0.44983079280018 0.09972105422701 15.999 > 65 66 O 0.64953557139603 0.44983079280018 0.09972105422701 15.999 > 65 67 O 0.14953557139603 0.44983079280018 0.59972105422701 15.999 > 65 68 O 0.64953557139603 0.44983079280018 0.59972105422701 15.999 > 65 69 O 0.39953557139603 0.05016920719982 0.15027894577299 15.999 > 69 70 O 0.89953557139603 0.05016920719982 0.15027894577299 15.999 > 69 71 O 0.39953557139603 0.05016920719982 0.65027894577299 15.999 > 69 72 O 0.89953557139603 0.05016920719982 0.65027894577299 15.999 > 69 73 O 0.39953557139603 0.44983079280018 0.15027894577299 15.999 > 73 74 O 0.89953557139603 0.44983079280018 0.15027894577299 15.999 > 73 75 O 0.39953557139603 0.44983079280018 0.65027894577299 15.999 > 73 76 O 0.89953557139603 0.44983079280018 0.65027894577299 15.999 > 73 77 O 0.26416831516376 0.75000000000000 0.20178876389263 15.999 > 77 78 O 0.76416831516376 0.75000000000000 0.20178876389263 15.999 > 77 79 O 0.26416831516376 0.75000000000000 0.70178876389263 15.999 > 77 80 O 0.76416831516376 0.75000000000000 0.70178876389263 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0537385 0.0000000 0.0000000 0.0000000 3.9527118 0.0000000 0.0000000 0.0000000 4.1127503 -------------------------- Born effective charges -------------------------- 1 Tm 3.8254881 0.0000000 -0.0265200 0.0000000 3.6092653 0.0000000 0.1747065 0.0000000 3.9545870 2 Tm 3.8254881 0.0000000 0.0265200 0.0000000 3.6092653 0.0000000 -0.1747065 0.0000000 3.9545870 3 Tm 3.8254881 0.0000000 0.0265200 0.0000000 3.6092653 0.0000000 -0.1747065 0.0000000 3.9545870 4 Tm 3.8254881 0.0000000 -0.0265200 0.0000000 3.6092653 0.0000000 0.1747065 0.0000000 3.9545870 5 Al 2.9750631 -0.0698445 -0.2041403 0.0020174 2.9338982 -0.1538923 -0.0310762 0.0311418 2.9114974 6 Al 2.9750631 0.0698445 -0.2041403 -0.0020174 2.9338982 0.1538923 -0.0310762 -0.0311418 2.9114974 7 Al 2.9750631 -0.0698445 0.2041403 0.0020174 2.9338982 0.1538923 0.0310762 -0.0311418 2.9114974 8 Al 2.9750631 0.0698445 0.2041403 -0.0020174 2.9338982 -0.1538923 0.0310762 0.0311418 2.9114974 9 O -2.1138467 0.0000000 -0.2755330 0.0000000 -2.2537145 0.0000000 -0.3665516 0.0000000 -2.3991530 10 O -2.3433523 0.0749121 0.0350428 0.0895814 -2.1447245 -0.1277832 0.0057494 -0.1650824 -2.2334657 11 O -2.3433523 -0.0749121 0.0350428 -0.0895814 -2.1447245 0.1277832 0.0057494 0.1650824 -2.2334657 12 O -2.3433523 -0.0749121 -0.0350428 -0.0895814 -2.1447245 -0.1277832 -0.0057494 -0.1650824 -2.2334657 13 O -2.3433523 0.0749121 -0.0350428 0.0895814 -2.1447245 0.1277832 -0.0057494 0.1650824 -2.2334657 14 O -2.1138467 0.0000000 0.2755330 0.0000000 -2.2537145 0.0000000 0.3665516 0.0000000 -2.3991530 15 O -2.1138467 0.0000000 0.2755330 0.0000000 -2.2537145 0.0000000 0.3665516 0.0000000 -2.3991530 16 O -2.3433523 -0.0749121 -0.0350428 -0.0895814 -2.1447245 -0.1277832 -0.0057494 -0.1650824 -2.2334657 17 O -2.3433523 0.0749121 -0.0350428 0.0895814 -2.1447245 0.1277832 -0.0057494 0.1650824 -2.2334657 18 O -2.3433523 -0.0749121 0.0350428 -0.0895814 -2.1447245 0.1277832 0.0057494 0.1650824 -2.2334657 19 O -2.3433523 0.0749121 0.0350428 0.0895814 -2.1447245 -0.1277832 0.0057494 -0.1650824 -2.2334657 20 O -2.1138467 0.0000000 -0.2755330 0.0000000 -2.2537145 0.0000000 -0.3665516 0.0000000 -2.3991530 ---------------------------------------------------------------------------- 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[ 17, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000013 (zxz) -0.00000013 (zxz) -0.00000013 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (zy) 0.00000005 (zy) 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 23:54:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:54:27]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.325137940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.298089960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.091134599999999 Atomic positions (fractional): 1 Tm 0.93662143772299 0.75000000000000 0.51632585722742 168.934 2 Tm 0.43662143772299 0.75000000000000 0.98367414277258 168.934 3 Tm 0.56337856227701 0.25000000000000 0.01632585722742 168.934 4 Tm 0.06337856227701 0.25000000000000 0.48367414277258 168.934 5 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 6 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 7 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 8 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 9 O 0.47166336967248 0.25000000000000 0.59642247221474 15.999 10 O 0.20092885720793 0.55016920719982 0.69944210845402 15.999 11 O 0.20092885720793 0.94983079280018 0.69944210845402 15.999 12 O 0.70092885720793 0.94983079280018 0.80055789154598 15.999 13 O 0.70092885720793 0.55016920719982 0.80055789154598 15.999 14 O 0.97166336967248 0.25000000000000 0.90357752778526 15.999 15 O 0.02833663032752 0.75000000000000 0.09642247221474 15.999 16 O 0.29907114279207 0.05016920719982 0.19944210845402 15.999 17 O 0.29907114279207 0.44983079280018 0.19944210845402 15.999 18 O 0.79907114279207 0.05016920719982 0.30055789154598 15.999 19 O 0.79907114279207 0.44983079280018 0.30055789154598 15.999 20 O 0.52833663032752 0.75000000000000 0.40357752778526 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.650275880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.298089960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.182269199999999 Atomic positions (fractional): 1 Tm 0.46831071886149 0.75000000000000 0.25816292861371 168.934 > 1 2 Tm 0.96831071886149 0.75000000000000 0.25816292861371 168.934 > 1 3 Tm 0.46831071886149 0.75000000000000 0.75816292861371 168.934 > 1 4 Tm 0.96831071886149 0.75000000000000 0.75816292861371 168.934 > 1 5 Tm 0.21831071886149 0.75000000000000 0.49183707138629 168.934 > 5 6 Tm 0.71831071886149 0.75000000000000 0.49183707138629 168.934 > 5 7 Tm 0.21831071886149 0.75000000000000 0.99183707138629 168.934 > 5 8 Tm 0.71831071886149 0.75000000000000 0.99183707138629 168.934 > 5 9 Tm 0.28168928113851 0.25000000000000 0.00816292861371 168.934 > 9 10 Tm 0.78168928113851 0.25000000000000 0.00816292861371 168.934 > 9 11 Tm 0.28168928113851 0.25000000000000 0.50816292861371 168.934 > 9 12 Tm 0.78168928113851 0.25000000000000 0.50816292861371 168.934 > 9 13 Tm 0.03168928113851 0.25000000000000 0.24183707138629 168.934 > 13 14 Tm 0.53168928113851 0.25000000000000 0.24183707138629 168.934 > 13 15 Tm 0.03168928113851 0.25000000000000 0.74183707138629 168.934 > 13 16 Tm 0.53168928113851 0.25000000000000 0.74183707138629 168.934 > 13 17 Al 0.25000000000000 0.00000000000000 0.25000000000000 26.982 > 17 18 Al 0.75000000000000 0.00000000000000 0.25000000000000 26.982 > 17 19 Al 0.25000000000000 0.00000000000000 0.75000000000000 26.982 > 17 20 Al 0.75000000000000 0.00000000000000 0.75000000000000 26.982 > 17 21 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 21 22 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 21 23 Al 0.25000000000000 0.50000000000000 0.75000000000000 26.982 > 21 24 Al 0.75000000000000 0.50000000000000 0.75000000000000 26.982 > 21 25 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 25 26 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 25 27 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 25 28 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 25 29 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 29 30 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 29 31 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 29 32 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 29 33 O 0.23583168483624 0.25000000000000 0.29821123610737 15.999 > 33 34 O 0.73583168483624 0.25000000000000 0.29821123610737 15.999 > 33 35 O 0.23583168483624 0.25000000000000 0.79821123610737 15.999 > 33 36 O 0.73583168483624 0.25000000000000 0.79821123610737 15.999 > 33 37 O 0.10046442860397 0.55016920719982 0.34972105422701 15.999 > 37 38 O 0.60046442860397 0.55016920719982 0.34972105422701 15.999 > 37 39 O 0.10046442860397 0.55016920719982 0.84972105422701 15.999 > 37 40 O 0.60046442860397 0.55016920719982 0.84972105422701 15.999 > 37 41 O 0.10046442860397 0.94983079280018 0.34972105422701 15.999 > 41 42 O 0.60046442860397 0.94983079280018 0.34972105422701 15.999 > 41 43 O 0.10046442860397 0.94983079280018 0.84972105422701 15.999 > 41 44 O 0.60046442860397 0.94983079280018 0.84972105422701 15.999 > 41 45 O 0.35046442860397 0.94983079280018 0.40027894577299 15.999 > 45 46 O 0.85046442860397 0.94983079280018 0.40027894577299 15.999 > 45 47 O 0.35046442860397 0.94983079280018 0.90027894577299 15.999 > 45 48 O 0.85046442860397 0.94983079280018 0.90027894577299 15.999 > 45 49 O 0.35046442860397 0.55016920719982 0.40027894577299 15.999 > 49 50 O 0.85046442860397 0.55016920719982 0.40027894577299 15.999 > 49 51 O 0.35046442860397 0.55016920719982 0.90027894577299 15.999 > 49 52 O 0.85046442860397 0.55016920719982 0.90027894577299 15.999 > 49 53 O 0.48583168483624 0.25000000000000 0.45178876389263 15.999 > 53 54 O 0.98583168483624 0.25000000000000 0.45178876389263 15.999 > 53 55 O 0.48583168483624 0.25000000000000 0.95178876389263 15.999 > 53 56 O 0.98583168483624 0.25000000000000 0.95178876389263 15.999 > 53 57 O 0.01416831516376 0.75000000000000 0.04821123610737 15.999 > 57 58 O 0.51416831516376 0.75000000000000 0.04821123610737 15.999 > 57 59 O 0.01416831516376 0.75000000000000 0.54821123610737 15.999 > 57 60 O 0.51416831516376 0.75000000000000 0.54821123610737 15.999 > 57 61 O 0.14953557139603 0.05016920719982 0.09972105422701 15.999 > 61 62 O 0.64953557139603 0.05016920719982 0.09972105422701 15.999 > 61 63 O 0.14953557139603 0.05016920719982 0.59972105422701 15.999 > 61 64 O 0.64953557139603 0.05016920719982 0.59972105422701 15.999 > 61 65 O 0.14953557139603 0.44983079280018 0.09972105422701 15.999 > 65 66 O 0.64953557139603 0.44983079280018 0.09972105422701 15.999 > 65 67 O 0.14953557139603 0.44983079280018 0.59972105422701 15.999 > 65 68 O 0.64953557139603 0.44983079280018 0.59972105422701 15.999 > 65 69 O 0.39953557139603 0.05016920719982 0.15027894577299 15.999 > 69 70 O 0.89953557139603 0.05016920719982 0.15027894577299 15.999 > 69 71 O 0.39953557139603 0.05016920719982 0.65027894577299 15.999 > 69 72 O 0.89953557139603 0.05016920719982 0.65027894577299 15.999 > 69 73 O 0.39953557139603 0.44983079280018 0.15027894577299 15.999 > 73 74 O 0.89953557139603 0.44983079280018 0.15027894577299 15.999 > 73 75 O 0.39953557139603 0.44983079280018 0.65027894577299 15.999 > 73 76 O 0.89953557139603 0.44983079280018 0.65027894577299 15.999 > 73 77 O 0.26416831516376 0.75000000000000 0.20178876389263 15.999 > 77 78 O 0.76416831516376 0.75000000000000 0.20178876389263 15.999 > 77 79 O 0.26416831516376 0.75000000000000 0.70178876389263 15.999 > 77 80 O 0.76416831516376 0.75000000000000 0.70178876389263 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0537385 0.0000000 0.0000000 0.0000000 3.9527118 0.0000000 0.0000000 0.0000000 4.1127503 -------------------------- Born effective charges -------------------------- 1 Tm 3.8254881 0.0000000 -0.0265200 0.0000000 3.6092653 0.0000000 0.1747065 0.0000000 3.9545870 2 Tm 3.8254881 0.0000000 0.0265200 0.0000000 3.6092653 0.0000000 -0.1747065 0.0000000 3.9545870 3 Tm 3.8254881 0.0000000 0.0265200 0.0000000 3.6092653 0.0000000 -0.1747065 0.0000000 3.9545870 4 Tm 3.8254881 0.0000000 -0.0265200 0.0000000 3.6092653 0.0000000 0.1747065 0.0000000 3.9545870 5 Al 2.9750631 -0.0698445 -0.2041403 0.0020174 2.9338982 -0.1538923 -0.0310762 0.0311418 2.9114974 6 Al 2.9750631 0.0698445 -0.2041403 -0.0020174 2.9338982 0.1538923 -0.0310762 -0.0311418 2.9114974 7 Al 2.9750631 -0.0698445 0.2041403 0.0020174 2.9338982 0.1538923 0.0310762 -0.0311418 2.9114974 8 Al 2.9750631 0.0698445 0.2041403 -0.0020174 2.9338982 -0.1538923 0.0310762 0.0311418 2.9114974 9 O -2.1138467 0.0000000 -0.2755330 0.0000000 -2.2537145 0.0000000 -0.3665516 0.0000000 -2.3991530 10 O -2.3433523 0.0749121 0.0350428 0.0895814 -2.1447245 -0.1277832 0.0057494 -0.1650824 -2.2334657 11 O -2.3433523 -0.0749121 0.0350428 -0.0895814 -2.1447245 0.1277832 0.0057494 0.1650824 -2.2334657 12 O -2.3433523 -0.0749121 -0.0350428 -0.0895814 -2.1447245 -0.1277832 -0.0057494 -0.1650824 -2.2334657 13 O -2.3433523 0.0749121 -0.0350428 0.0895814 -2.1447245 0.1277832 -0.0057494 0.1650824 -2.2334657 14 O -2.1138467 0.0000000 0.2755330 0.0000000 -2.2537145 0.0000000 0.3665516 0.0000000 -2.3991530 15 O -2.1138467 0.0000000 0.2755330 0.0000000 -2.2537145 0.0000000 0.3665516 0.0000000 -2.3991530 16 O -2.3433523 -0.0749121 -0.0350428 -0.0895814 -2.1447245 -0.1277832 -0.0057494 -0.1650824 -2.2334657 17 O -2.3433523 0.0749121 -0.0350428 0.0895814 -2.1447245 0.1277832 -0.0057494 0.1650824 -2.2334657 18 O -2.3433523 -0.0749121 0.0350428 -0.0895814 -2.1447245 0.1277832 0.0057494 0.1650824 -2.2334657 19 O -2.3433523 0.0749121 0.0350428 0.0895814 -2.1447245 -0.1277832 0.0057494 -0.1650824 -2.2334657 20 O -2.1138467 0.0000000 -0.2755330 0.0000000 -2.2537145 0.0000000 -0.3665516 0.0000000 -2.3991530 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000013 (zxz) -0.00000013 (zxz) -0.00000013 (zzx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.71, Number of G-points: 311, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 3.515 ( 0.000 0.000 0.000) 0.000 3.531 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 4.048 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 4.360 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 6.109 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.956 ( 0.000 0.000 0.000) 0.000 7.253 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 8.461 ( 0.000 0.000 0.000) 0.000 8.597 ( 0.000 0.000 0.000) 0.000 9.719 ( 0.000 0.000 0.000) 0.000 10.275 ( 0.000 0.000 0.000) 0.000 10.352 ( 0.000 0.000 0.000) 0.000 10.673 ( 0.000 0.000 0.000) 0.000 10.758 ( 0.000 0.000 0.000) 0.000 11.196 ( 0.000 0.000 0.000) 0.000 11.355 ( 0.000 0.000 0.000) 0.000 11.416 ( 0.000 0.000 0.000) 0.000 11.568 ( 0.000 0.000 0.000) 0.000 11.914 ( 0.000 0.000 0.000) 0.000 12.283 ( 0.000 0.000 0.000) 0.000 12.774 ( 0.000 0.000 0.000) 0.000 13.008 ( 0.000 0.000 0.000) 0.000 13.034 ( 0.000 0.000 0.000) 0.000 13.158 ( 0.000 0.000 0.000) 0.000 13.422 ( 0.000 0.000 0.000) 0.000 13.431 ( 0.000 0.000 0.000) 0.000 13.438 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 14.094 ( 0.000 0.000 0.000) 0.000 14.242 ( 0.000 0.000 0.000) 0.000 14.512 ( 0.000 0.000 0.000) 0.000 14.568 ( 0.000 0.000 0.000) 0.000 14.787 ( 0.000 0.000 0.000) 0.000 15.308 ( 0.000 0.000 0.000) 0.000 15.904 ( 0.000 0.000 0.000) 0.000 16.333 ( 0.000 0.000 0.000) 0.000 16.471 ( 0.000 0.000 0.000) 0.000 16.522 ( 0.000 0.000 0.000) 0.000 17.233 ( 0.000 0.000 0.000) 0.000 17.455 ( 0.000 0.000 0.000) 0.000 18.138 ( 0.000 0.000 0.000) 0.000 18.436 ( 0.000 0.000 0.000) 0.000 18.749 ( 0.000 0.000 0.000) 0.000 18.988 ( 0.000 0.000 0.000) 0.000 19.519 ( 0.000 0.000 0.000) 0.000 19.605 ( 0.000 0.000 0.000) 0.000 19.923 ( 0.000 0.000 0.000) 0.000 20.019 ( 0.000 0.000 0.000) 0.000 20.625 ( 0.000 0.000 0.000) 0.000 21.523 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 35.283 0.000 0.000) 35.283 0.936 ( 43.576 0.000 0.000) 43.576 1.306 ( 58.634 0.000 0.000) 58.634 2.966 ( 3.005 0.000 0.000) 3.005 3.523 ( -0.919 0.000 0.000) 0.919 3.533 ( 1.740 0.000 0.000) 1.740 3.745 ( -1.054 0.000 0.000) 1.054 4.039 ( -0.854 0.000 0.000) 0.854 4.096 ( -4.731 0.000 0.000) 4.731 4.341 ( -1.844 0.000 0.000) 1.844 4.801 ( -13.500 0.000 0.000) 13.500 4.836 ( -8.085 0.000 0.000) 8.085 6.169 ( 5.551 0.000 0.000) 5.551 6.535 ( 11.381 0.000 0.000) 11.381 7.005 ( 4.440 0.000 0.000) 4.440 8.055 ( 13.772 0.000 0.000) 13.772 8.357 ( -2.402 0.000 0.000) 2.402 8.582 ( 11.830 0.000 0.000) 11.830 8.607 ( 0.792 0.000 0.000) 0.792 9.679 ( -3.489 0.000 0.000) 3.489 10.109 ( -15.031 0.000 0.000) 15.031 10.459 ( -7.841 0.000 0.000) 7.841 10.681 ( 1.332 0.000 0.000) 1.332 10.873 ( 6.939 0.000 0.000) 6.939 11.130 ( -6.348 0.000 0.000) 6.348 11.314 ( -11.509 0.000 0.000) 11.509 11.462 ( -9.161 0.000 0.000) 9.161 11.470 ( 3.855 0.000 0.000) 3.855 11.867 ( -4.273 0.000 0.000) 4.273 12.365 ( 5.810 0.000 0.000) 5.810 12.885 ( 9.590 0.000 0.000) 9.590 13.000 ( -0.194 0.000 0.000) 0.194 13.122 ( 8.065 0.000 0.000) 8.065 13.321 ( 6.351 0.000 0.000) 6.351 13.425 ( 0.196 0.000 0.000) 0.196 13.492 ( 5.549 0.000 0.000) 5.549 14.158 ( 3.146 0.000 0.000) 3.146 14.218 ( -3.834 0.000 0.000) 3.834 14.248 ( 17.823 0.000 0.000) 17.823 14.540 ( 5.754 0.000 0.000) 5.754 14.578 ( 2.656 0.000 0.000) 2.656 14.776 ( -0.780 0.000 0.000) 0.780 15.223 ( -6.209 0.000 0.000) 6.209 15.877 ( -2.559 0.000 0.000) 2.559 16.118 ( -9.604 0.000 0.000) 9.604 16.485 ( 6.826 0.000 0.000) 6.826 16.567 ( 3.492 0.000 0.000) 3.492 16.769 ( -19.686 0.000 0.000) 19.686 17.885 ( 22.142 0.000 0.000) 22.142 17.927 ( -18.249 0.000 0.000) 18.249 18.140 ( 2.019 0.000 0.000) 2.019 18.382 ( -5.870 0.000 0.000) 5.870 18.974 ( -0.756 0.000 0.000) 0.756 19.481 ( -11.365 0.000 0.000) 11.365 19.502 ( -1.546 0.000 0.000) 1.546 19.825 ( -8.893 0.000 0.000) 8.893 20.209 ( 16.122 0.000 0.000) 16.122 20.692 ( 6.028 0.000 0.000) 6.028 21.536 ( 1.118 0.000 0.000) 1.118 22.105 ( -3.545 0.000 0.000) 3.545 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 32.183 0.000 0.000) 32.183 1.790 ( 37.652 0.000 0.000) 37.652 2.357 ( 40.073 0.000 0.000) 40.073 3.047 ( 4.403 0.000 0.000) 4.403 3.468 ( -5.132 0.000 0.000) 5.132 3.585 ( 3.110 0.000 0.000) 3.110 3.770 ( 4.913 0.000 0.000) 4.913 3.965 ( -7.350 0.000 0.000) 7.350 4.013 ( -1.545 0.000 0.000) 1.545 4.284 ( -3.662 0.000 0.000) 3.662 4.449 ( -18.728 0.000 0.000) 18.728 4.603 ( -13.642 0.000 0.000) 13.642 6.329 ( 9.633 0.000 0.000) 9.633 6.869 ( 20.024 0.000 0.000) 20.024 7.120 ( 5.739 0.000 0.000) 5.739 8.338 ( 1.832 0.000 0.000) 1.832 8.360 ( 12.824 0.000 0.000) 12.824 8.627 ( 1.111 0.000 0.000) 1.111 8.985 ( 27.156 0.000 0.000) 27.156 9.597 ( -3.869 0.000 0.000) 3.869 9.705 ( -22.231 0.000 0.000) 22.231 10.294 ( -7.756 0.000 0.000) 7.756 10.744 ( 4.846 0.000 0.000) 4.846 10.886 ( -9.958 0.000 0.000) 9.958 10.929 ( -12.913 0.000 0.000) 12.913 11.154 ( 1.979 0.000 0.000) 1.979 11.228 ( -12.593 0.000 0.000) 12.593 11.516 ( -0.645 0.000 0.000) 0.645 11.744 ( -7.350 0.000 0.000) 7.350 12.385 ( -6.770 0.000 0.000) 6.770 13.076 ( 9.517 0.000 0.000) 9.517 13.105 ( 9.891 0.000 0.000) 9.891 13.342 ( 11.988 0.000 0.000) 11.988 13.427 ( -0.033 0.000 0.000) 0.033 13.524 ( 13.393 0.000 0.000) 13.393 13.693 ( 14.070 0.000 0.000) 14.070 14.052 ( -11.123 0.000 0.000) 11.123 14.102 ( -7.700 0.000 0.000) 7.700 14.692 ( 21.965 0.000 0.000) 21.965 14.715 ( 9.364 0.000 0.000) 9.364 14.777 ( 1.465 0.000 0.000) 1.465 14.876 ( 25.507 0.000 0.000) 25.507 15.106 ( -4.712 0.000 0.000) 4.712 15.807 ( -3.642 0.000 0.000) 3.642 15.860 ( -14.639 0.000 0.000) 14.639 16.069 ( -28.826 0.000 0.000) 28.826 16.668 ( 7.104 0.000 0.000) 7.104 16.992 ( 22.504 0.000 0.000) 22.504 17.464 ( -24.561 0.000 0.000) 24.561 18.157 ( -16.116 0.000 0.000) 16.116 18.207 ( 4.351 0.000 0.000) 4.351 18.273 ( 14.570 0.000 0.000) 14.570 18.986 ( 2.268 0.000 0.000) 2.268 19.156 ( -19.303 0.000 0.000) 19.303 19.455 ( -2.970 0.000 0.000) 2.970 19.558 ( -16.365 0.000 0.000) 16.365 20.599 ( 19.710 0.000 0.000) 19.710 20.859 ( 9.638 0.000 0.000) 9.638 21.559 ( 0.755 0.000 0.000) 0.755 21.996 ( -6.763 0.000 0.000) 6.763 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 27.489 0.000 0.000) 27.489 2.478 ( 27.652 0.000 0.000) 27.652 2.954 ( 18.435 0.000 0.000) 18.435 3.128 ( 2.750 0.000 0.000) 2.750 3.307 ( -9.527 0.000 0.000) 9.527 3.644 ( 1.596 0.000 0.000) 1.596 3.814 ( -6.406 0.000 0.000) 6.406 3.940 ( 9.032 0.000 0.000) 9.032 3.980 ( -1.443 0.000 0.000) 1.443 4.076 ( -15.969 0.000 0.000) 15.969 4.192 ( -4.913 0.000 0.000) 4.913 4.309 ( -12.944 0.000 0.000) 12.944 6.570 ( 13.424 0.000 0.000) 13.424 7.205 ( 1.287 0.000 0.000) 1.287 7.340 ( 24.358 0.000 0.000) 24.358 8.423 ( 2.030 0.000 0.000) 2.030 8.561 ( 7.068 0.000 0.000) 7.068 8.683 ( 7.846 0.000 0.000) 7.846 9.239 ( -21.084 0.000 0.000) 21.084 9.525 ( -3.353 0.000 0.000) 3.353 9.663 ( 35.765 0.000 0.000) 35.765 10.145 ( -6.138 0.000 0.000) 6.138 10.595 ( -18.647 0.000 0.000) 18.647 10.647 ( -9.012 0.000 0.000) 9.012 10.884 ( 8.487 0.000 0.000) 8.487 10.958 ( -12.850 0.000 0.000) 12.850 11.280 ( 7.892 0.000 0.000) 7.892 11.401 ( -11.224 0.000 0.000) 11.224 11.563 ( -9.899 0.000 0.000) 9.899 12.110 ( -17.143 0.000 0.000) 17.143 13.274 ( 6.575 0.000 0.000) 6.575 13.366 ( 16.086 0.000 0.000) 16.086 13.428 ( 0.419 0.000 0.000) 0.419 13.581 ( 10.287 0.000 0.000) 10.287 13.811 ( -10.745 0.000 0.000) 10.745 13.878 ( 20.007 0.000 0.000) 20.007 13.890 ( -9.729 0.000 0.000) 9.729 14.071 ( 19.195 0.000 0.000) 19.195 14.838 ( 3.588 0.000 0.000) 3.588 14.883 ( 4.013 0.000 0.000) 4.013 15.028 ( -2.693 0.000 0.000) 2.693 15.048 ( 9.931 0.000 0.000) 9.931 15.482 ( -26.306 0.000 0.000) 26.306 15.526 ( 35.191 0.000 0.000) 35.191 15.530 ( -16.031 0.000 0.000) 16.031 15.777 ( 2.898 0.000 0.000) 2.898 16.924 ( 18.510 0.000 0.000) 18.510 16.942 ( -24.839 0.000 0.000) 24.839 17.496 ( 24.883 0.000 0.000) 24.883 17.712 ( -26.211 0.000 0.000) 26.211 18.314 ( 5.514 0.000 0.000) 5.514 18.479 ( 4.233 0.000 0.000) 4.233 18.699 ( -22.994 0.000 0.000) 22.994 19.063 ( 4.745 0.000 0.000) 4.745 19.160 ( -21.326 0.000 0.000) 21.326 19.380 ( -4.191 0.000 0.000) 4.191 20.988 ( 16.862 0.000 0.000) 16.862 21.086 ( 11.942 0.000 0.000) 11.942 21.552 ( -1.749 0.000 0.000) 1.749 21.825 ( -9.540 0.000 0.000) 9.540 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 21.749 0.000 0.000) 21.749 2.928 ( 15.404 0.000 0.000) 15.404 2.984 ( -14.673 0.000 0.000) 14.673 3.126 ( -3.980 0.000 0.000) 3.980 3.329 ( 12.568 0.000 0.000) 12.568 3.577 ( -9.084 0.000 0.000) 9.084 3.732 ( -0.535 0.000 0.000) 0.535 3.815 ( -8.508 0.000 0.000) 8.508 3.979 ( 2.219 0.000 0.000) 2.219 4.044 ( -1.110 0.000 0.000) 1.110 4.107 ( -1.068 0.000 0.000) 1.068 4.134 ( -3.546 0.000 0.000) 3.546 6.874 ( 14.827 0.000 0.000) 14.827 7.133 ( -8.563 0.000 0.000) 8.563 7.849 ( 23.381 0.000 0.000) 23.381 8.267 ( -15.412 0.000 0.000) 15.412 8.689 ( 6.289 0.000 0.000) 6.289 8.877 ( -12.858 0.000 0.000) 12.858 9.035 ( 21.697 0.000 0.000) 21.697 9.402 ( -10.775 0.000 0.000) 10.775 10.068 ( -0.000 0.000 0.000) 0.000 10.215 ( -14.826 0.000 0.000) 14.826 10.403 ( 33.761 0.000 0.000) 33.761 10.573 ( 2.152 0.000 0.000) 2.152 10.712 ( -10.111 0.000 0.000) 10.111 11.008 ( -19.097 0.000 0.000) 19.097 11.111 ( 5.814 0.000 0.000) 5.814 11.338 ( -11.452 0.000 0.000) 11.452 11.474 ( 11.095 0.000 0.000) 11.095 11.754 ( -15.734 0.000 0.000) 15.734 13.393 ( 4.800 0.000 0.000) 4.800 13.445 ( 0.378 0.000 0.000) 0.378 13.645 ( -3.904 0.000 0.000) 3.904 13.661 ( 10.162 0.000 0.000) 10.162 13.694 ( -7.435 0.000 0.000) 7.435 13.734 ( 3.068 0.000 0.000) 3.068 14.334 ( 23.186 0.000 0.000) 23.186 14.484 ( 18.765 0.000 0.000) 18.765 14.807 ( -10.909 0.000 0.000) 10.909 14.807 ( -17.872 0.000 0.000) 17.872 14.936 ( 0.489 0.000 0.000) 0.489 15.061 ( -7.351 0.000 0.000) 7.351 15.163 ( 0.991 0.000 0.000) 0.991 15.269 ( -7.600 0.000 0.000) 7.600 15.983 ( 16.046 0.000 0.000) 16.046 16.236 ( 19.896 0.000 0.000) 19.896 16.500 ( -5.258 0.000 0.000) 5.258 17.083 ( -33.361 0.000 0.000) 33.361 17.425 ( 27.854 0.000 0.000) 27.854 17.907 ( -0.956 0.000 0.000) 0.956 18.218 ( -3.698 0.000 0.000) 3.698 18.400 ( 0.237 0.000 0.000) 0.237 18.560 ( 0.226 0.000 0.000) 0.226 18.707 ( -19.400 0.000 0.000) 19.400 19.171 ( 5.437 0.000 0.000) 5.437 19.282 ( -5.091 0.000 0.000) 5.091 21.287 ( 11.660 0.000 0.000) 11.660 21.346 ( 12.673 0.000 0.000) 12.673 21.472 ( -6.172 0.000 0.000) 6.172 21.603 ( -11.685 0.000 0.000) 11.685 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.000 39.204 0.000) 39.204 0.866 ( 0.000 43.186 0.000) 43.186 1.284 ( 0.000 63.167 0.000) 63.167 2.953 ( 0.000 1.217 0.000) 1.217 3.467 ( 0.000 -6.606 0.000) 6.606 3.477 ( 0.000 -3.173 0.000) 3.173 3.732 ( 0.000 -0.418 0.000) 0.418 4.081 ( 0.000 -0.073 0.000) 0.073 4.114 ( 0.000 -0.022 0.000) 0.022 4.329 ( 0.000 -2.989 0.000) 2.989 4.879 ( 0.000 -4.391 0.000) 4.391 4.898 ( 0.000 -5.544 0.000) 5.544 6.444 ( 0.000 3.138 0.000) 3.138 6.940 ( 0.000 -1.760 0.000) 1.760 7.269 ( 0.000 1.623 0.000) 1.623 7.862 ( 0.000 -3.103 0.000) 3.103 8.035 ( 0.000 0.890 0.000) 0.890 8.471 ( 0.000 0.879 0.000) 0.879 8.641 ( 0.000 4.202 0.000) 4.202 9.705 ( 0.000 -0.542 0.000) 0.542 10.207 ( 0.000 -15.070 0.000) 15.070 10.390 ( 0.000 10.795 0.000) 10.795 10.784 ( 0.000 2.495 0.000) 2.495 10.813 ( 0.000 13.618 0.000) 13.618 11.026 ( 0.000 -19.419 0.000) 19.419 11.187 ( 0.000 -10.793 0.000) 10.793 11.207 ( 0.000 -6.047 0.000) 6.047 11.835 ( 0.000 14.086 0.000) 14.086 12.142 ( 0.000 17.347 0.000) 17.347 12.294 ( 0.000 1.351 0.000) 1.351 12.860 ( 0.000 -0.030 0.000) 0.030 12.976 ( 0.000 -3.331 0.000) 3.331 13.049 ( 0.000 1.534 0.000) 1.534 13.151 ( 0.000 -0.634 0.000) 0.634 13.420 ( 0.000 -1.026 0.000) 1.026 13.481 ( 0.000 5.800 0.000) 5.800 13.924 ( 0.000 -9.518 0.000) 9.518 14.138 ( 0.000 4.247 0.000) 4.247 14.229 ( 0.000 -2.360 0.000) 2.360 14.304 ( 0.000 5.294 0.000) 5.294 14.518 ( 0.000 -4.776 0.000) 4.776 14.733 ( 0.000 -5.232 0.000) 5.232 15.370 ( 0.000 7.598 0.000) 7.598 15.989 ( 0.000 8.174 0.000) 8.174 16.367 ( 0.000 3.141 0.000) 3.141 16.432 ( 0.000 -3.828 0.000) 3.828 16.457 ( 0.000 -5.978 0.000) 5.978 17.198 ( 0.000 -3.308 0.000) 3.308 17.391 ( 0.000 -6.552 0.000) 6.552 17.883 ( 0.000 7.927 0.000) 7.927 18.265 ( 0.000 3.043 0.000) 3.043 18.347 ( 0.000 -13.730 0.000) 13.730 18.722 ( 0.000 -2.756 0.000) 2.756 18.819 ( 0.000 -9.144 0.000) 9.144 19.472 ( 0.000 -23.475 0.000) 23.475 19.547 ( 0.000 -5.735 0.000) 5.735 20.518 ( 0.000 28.260 0.000) 28.260 20.819 ( 0.000 16.516 0.000) 16.516 21.546 ( 0.000 2.009 0.000) 2.009 22.567 ( 0.000 -7.260 0.000) 7.260 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 25.124 22.601 0.000) 33.794 1.067 ( 22.941 26.865 0.000) 35.327 1.925 ( 42.470 44.059 0.000) 61.196 2.973 ( 1.887 0.114 0.000) 1.891 3.451 ( -0.758 -6.714 0.000) 6.757 3.495 ( 1.731 -3.245 0.000) 3.678 3.723 ( -1.600 -1.901 0.000) 2.484 4.036 ( -4.696 -4.190 0.000) 6.293 4.095 ( -1.224 3.773 0.000) 3.967 4.305 ( -2.216 -3.263 0.000) 3.945 4.771 ( -11.360 -3.373 0.000) 11.850 4.799 ( -7.406 -3.674 0.000) 8.268 6.563 ( 11.066 2.813 0.000) 11.418 6.740 ( -17.334 37.800 0.000) 41.585 6.995 ( 5.045 -1.188 0.000) 5.183 7.980 ( 9.204 -6.063 0.000) 11.021 8.189 ( 10.390 -11.762 0.000) 15.694 8.558 ( 1.849 -2.989 0.000) 3.514 8.648 ( 6.155 4.934 0.000) 7.888 9.676 ( -2.705 0.345 0.000) 2.727 10.183 ( -17.179 5.954 0.000) 18.181 10.266 ( -0.796 -17.606 0.000) 17.624 10.787 ( -1.249 10.275 0.000) 10.350 10.821 ( 1.812 -3.648 0.000) 4.073 11.069 ( -1.530 -6.366 0.000) 6.547 11.118 ( -5.317 -9.125 0.000) 10.561 11.199 ( 1.079 -10.476 0.000) 10.531 11.724 ( -8.054 10.848 0.000) 13.510 12.164 ( -4.593 19.328 0.000) 19.867 12.398 ( 6.882 3.452 0.000) 7.700 12.929 ( 10.168 2.816 0.000) 10.551 12.967 ( -0.402 -3.250 0.000) 3.275 13.131 ( 8.564 0.426 0.000) 8.575 13.233 ( 4.919 -3.276 0.000) 5.910 13.486 ( 0.418 5.924 0.000) 5.938 13.603 ( 10.116 5.081 0.000) 11.320 13.986 ( 3.847 -12.430 0.000) 13.012 14.206 ( -3.910 -2.012 0.000) 4.397 14.321 ( 17.435 4.284 0.000) 17.953 14.487 ( 13.028 -1.073 0.000) 13.072 14.503 ( 0.272 -6.856 0.000) 6.862 14.729 ( 0.045 -4.771 0.000) 4.771 15.332 ( -2.628 11.374 0.000) 11.673 15.913 ( -5.433 3.648 0.000) 6.544 16.200 ( -15.185 3.399 0.000) 15.561 16.473 ( -1.647 -1.901 0.000) 2.515 16.507 ( 3.413 -6.013 0.000) 6.914 16.801 ( -10.124 4.003 0.000) 10.887 17.815 ( 21.671 -7.113 0.000) 22.809 17.905 ( -10.939 0.602 0.000) 10.955 18.198 ( -0.223 4.928 0.000) 4.933 18.338 ( -1.753 -9.178 0.000) 9.344 18.759 ( -4.936 -13.711 0.000) 14.572 18.960 ( 12.144 -27.974 0.000) 30.496 19.432 ( -10.615 -5.176 0.000) 11.810 19.492 ( -0.561 -21.695 0.000) 21.702 20.588 ( 7.362 26.282 0.000) 27.294 20.877 ( 5.272 15.836 0.000) 16.690 21.561 ( 1.312 2.208 0.000) 2.568 22.334 ( -12.979 6.946 0.000) 14.721 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 26.998 14.183 0.000) 30.497 1.695 ( 33.170 -0.425 0.000) 33.173 2.732 ( 31.049 28.074 0.000) 41.860 3.027 ( 3.170 -2.194 0.000) 3.855 3.433 ( -2.121 -3.997 0.000) 4.525 3.546 ( 2.914 -3.611 0.000) 4.640 3.691 ( 0.273 -7.102 0.000) 7.107 3.899 ( -7.859 -5.862 0.000) 9.804 4.063 ( -1.869 4.404 0.000) 4.784 4.236 ( -4.419 -3.480 0.000) 5.625 4.483 ( -14.533 2.108 0.000) 14.685 4.585 ( -12.482 -1.811 0.000) 12.613 6.627 ( 2.698 27.241 0.000) 27.374 6.887 ( 19.365 1.847 0.000) 19.453 7.130 ( 7.212 0.756 0.000) 7.252 8.184 ( 10.491 -9.178 0.000) 13.939 8.417 ( 8.797 0.854 0.000) 8.838 8.582 ( 2.075 -3.996 0.000) 4.502 8.966 ( 24.432 -1.777 0.000) 24.496 9.579 ( -8.410 -0.254 0.000) 8.414 9.779 ( -18.244 4.918 0.000) 18.895 10.197 ( -4.376 -10.696 0.000) 11.557 10.754 ( -8.319 -8.765 0.000) 12.085 10.788 ( 1.498 5.010 0.000) 5.229 10.915 ( -11.560 -0.838 0.000) 11.590 11.081 ( 2.724 -5.514 0.000) 6.150 11.183 ( -4.965 -3.387 0.000) 6.010 11.582 ( -5.135 5.082 0.000) 7.224 11.996 ( -9.680 19.731 0.000) 21.977 12.425 ( -7.066 4.147 0.000) 8.193 13.027 ( 7.692 -4.466 0.000) 8.895 13.198 ( 12.834 7.534 0.000) 14.882 13.332 ( 6.278 -1.061 0.000) 6.367 13.398 ( 14.648 -6.054 0.000) 15.850 13.500 ( 1.085 6.684 0.000) 6.771 13.808 ( 8.378 2.285 0.000) 8.684 14.038 ( 3.713 -1.567 0.000) 4.030 14.039 ( -10.639 -1.476 0.000) 10.740 14.555 ( 3.433 -11.113 0.000) 11.631 14.758 ( 2.990 -4.262 0.000) 5.206 14.776 ( 21.337 6.435 0.000) 22.286 14.869 ( 26.334 -0.581 0.000) 26.341 15.304 ( 0.365 17.500 0.000) 17.504 15.776 ( -9.003 -2.051 0.000) 9.234 15.857 ( -17.751 -0.138 0.000) 17.751 16.076 ( -22.273 -0.233 0.000) 22.274 16.596 ( 5.873 -6.920 0.000) 9.076 17.040 ( 20.336 5.271 0.000) 21.008 17.521 ( -21.792 5.407 0.000) 22.453 18.140 ( -3.123 -4.141 0.000) 5.187 18.243 ( 3.238 3.749 0.000) 4.954 18.251 ( 3.783 -0.963 0.000) 3.903 18.688 ( -0.363 -24.840 0.000) 24.843 19.089 ( 1.255 -29.719 0.000) 29.745 19.125 ( -18.202 -4.658 0.000) 18.789 19.376 ( -10.465 -15.473 0.000) 18.679 20.822 ( 14.050 19.269 0.000) 23.847 21.025 ( 8.699 14.428 0.000) 16.848 21.590 ( 1.173 2.828 0.000) 3.062 22.112 ( -9.291 7.178 0.000) 11.741 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 24.573 6.715 0.000) 25.474 2.331 ( 26.724 -8.201 0.000) 27.954 3.090 ( 2.291 -3.770 0.000) 4.412 3.165 ( 11.143 13.746 0.000) 17.695 3.317 ( -7.399 1.456 0.000) 7.541 3.602 ( 1.714 -4.208 0.000) 4.543 3.734 ( -7.233 -7.094 0.000) 10.131 3.735 ( 0.332 -15.162 0.000) 15.166 4.017 ( -2.521 3.484 0.000) 4.300 4.134 ( -4.183 0.457 0.000) 4.208 4.239 ( -7.883 5.404 0.000) 9.557 4.320 ( -11.511 0.659 0.000) 11.530 6.777 ( 10.804 20.026 0.000) 22.754 7.251 ( 4.444 4.124 0.000) 6.062 7.347 ( 22.833 0.802 0.000) 22.847 8.406 ( 4.303 -1.539 0.000) 4.569 8.503 ( 4.308 -4.774 0.000) 6.430 8.710 ( 11.888 2.648 0.000) 12.179 9.228 ( -20.387 -0.415 0.000) 20.391 9.574 ( -5.147 3.438 0.000) 6.190 9.576 ( 29.449 -8.498 0.000) 30.650 10.139 ( 1.494 -1.621 0.000) 2.204 10.587 ( -5.487 -4.330 0.000) 6.989 10.588 ( -18.558 0.525 0.000) 18.565 10.841 ( -0.285 -1.066 0.000) 1.104 11.046 ( -4.051 5.126 0.000) 6.533 11.168 ( 4.448 -8.486 0.000) 9.581 11.440 ( -10.733 3.281 0.000) 11.223 11.796 ( -8.828 18.835 0.000) 20.801 12.145 ( -16.977 3.964 0.000) 17.433 13.221 ( 8.013 -9.700 0.000) 12.582 13.379 ( 4.561 8.405 0.000) 9.563 13.452 ( 4.251 -8.410 0.000) 9.423 13.543 ( 2.653 6.842 0.000) 7.338 13.773 ( 20.238 -5.406 0.000) 20.948 13.851 ( -4.714 3.677 0.000) 5.978 13.856 ( 0.222 -4.436 0.000) 4.442 14.297 ( 18.265 15.617 0.000) 24.031 14.605 ( 1.121 -13.974 0.000) 14.019 14.829 ( 2.395 -5.938 0.000) 6.403 15.108 ( 8.844 5.322 0.000) 10.322 15.298 ( -4.326 16.051 0.000) 16.624 15.423 ( -6.437 -7.381 0.000) 9.793 15.437 ( -19.425 -0.801 0.000) 19.442 15.588 ( 24.175 3.791 0.000) 24.470 15.862 ( 2.513 7.006 0.000) 7.443 16.769 ( 5.919 -8.208 0.000) 10.120 17.108 ( -10.997 9.181 0.000) 14.326 17.501 ( 22.868 0.907 0.000) 22.886 17.748 ( -25.893 3.480 0.000) 26.126 18.317 ( 3.404 0.317 0.000) 3.419 18.422 ( 4.189 -6.069 0.000) 7.375 18.609 ( -17.469 -10.475 0.000) 20.369 18.824 ( 0.059 -19.892 0.000) 19.893 18.995 ( -13.387 -18.773 0.000) 23.057 19.143 ( -7.228 -17.525 0.000) 18.957 21.124 ( 13.897 12.752 0.000) 18.861 21.230 ( 10.752 12.555 0.000) 16.530 21.595 ( -1.025 3.975 0.000) 4.104 21.918 ( -9.695 7.013 0.000) 11.966 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 19.123 1.439 0.000) 19.177 2.770 ( 12.692 -9.351 0.000) 15.765 3.052 ( -10.301 3.153 0.000) 10.773 3.082 ( -4.268 -3.693 0.000) 5.644 3.415 ( 9.070 5.606 0.000) 10.663 3.571 ( -4.759 -2.370 0.000) 5.317 3.630 ( -2.535 -8.461 0.000) 8.833 3.661 ( -4.727 -13.115 0.000) 13.940 3.983 ( 0.643 1.123 0.000) 1.294 4.050 ( -4.631 -0.439 0.000) 4.652 4.155 ( -1.105 4.329 0.000) 4.468 4.166 ( -2.995 2.416 0.000) 3.848 7.036 ( 12.692 15.627 0.000) 20.132 7.241 ( -5.589 10.165 0.000) 11.600 7.834 ( 22.422 -1.342 0.000) 22.462 8.238 ( -15.246 -2.796 0.000) 15.500 8.662 ( 7.401 -2.079 0.000) 7.687 8.864 ( -13.362 -0.804 0.000) 13.386 9.097 ( 21.818 5.681 0.000) 22.545 9.443 ( -9.682 2.780 0.000) 10.073 9.924 ( 7.107 -11.454 0.000) 13.480 10.176 ( -18.394 -2.217 0.000) 18.527 10.477 ( 24.646 5.284 0.000) 25.206 10.583 ( 8.362 0.181 0.000) 8.364 10.705 ( -9.204 0.326 0.000) 9.210 11.081 ( -22.385 5.157 0.000) 22.972 11.118 ( 5.938 -0.128 0.000) 5.939 11.220 ( -0.970 -8.196 0.000) 8.253 11.678 ( -0.455 16.110 0.000) 16.117 11.817 ( -12.691 7.006 0.000) 14.496 13.332 ( 4.015 -13.865 0.000) 14.435 13.414 ( -2.618 -14.286 0.000) 14.524 13.479 ( 1.756 7.283 0.000) 7.491 13.536 ( -2.812 4.385 0.000) 5.209 13.896 ( 4.996 10.272 0.000) 11.423 13.909 ( 3.331 4.092 0.000) 5.276 14.224 ( 22.129 -5.796 0.000) 22.876 14.603 ( -5.405 -10.539 0.000) 11.844 14.661 ( 12.671 13.521 0.000) 18.530 14.732 ( -8.523 -8.274 0.000) 11.878 15.039 ( -8.874 -4.091 0.000) 9.771 15.141 ( -9.715 8.804 0.000) 13.110 15.175 ( -2.298 4.672 0.000) 5.207 15.237 ( -3.522 -1.078 0.000) 3.683 16.087 ( 16.570 10.230 0.000) 19.473 16.314 ( 28.682 6.722 0.000) 29.459 16.530 ( -11.243 3.816 0.000) 11.873 17.114 ( -33.809 3.139 0.000) 33.954 17.404 ( 26.939 -2.458 0.000) 27.051 17.906 ( -0.491 -0.145 0.000) 0.512 18.121 ( -6.194 -9.390 0.000) 11.249 18.341 ( -4.076 -6.139 0.000) 7.368 18.515 ( 1.628 -4.492 0.000) 4.778 18.644 ( -14.892 -5.701 0.000) 15.946 18.922 ( 5.829 -22.901 0.000) 23.631 19.036 ( -4.939 -22.408 0.000) 22.946 21.376 ( 9.859 8.460 0.000) 12.991 21.462 ( 10.523 9.917 0.000) 14.459 21.537 ( -4.093 6.188 0.000) 7.420 21.703 ( -10.846 8.330 0.000) 13.676 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.000 35.147 0.000) 35.147 1.671 ( 0.000 38.612 0.000) 38.612 2.421 ( 0.000 51.427 0.000) 51.427 2.911 ( 0.000 -7.626 0.000) 7.626 3.269 ( 0.000 -13.670 0.000) 13.670 3.450 ( 0.000 2.235 0.000) 2.235 3.715 ( 0.000 -1.590 0.000) 1.590 3.963 ( 0.000 -8.499 0.000) 8.499 4.226 ( 0.000 7.992 0.000) 7.992 4.264 ( 0.000 -2.870 0.000) 2.870 4.732 ( 0.000 -11.518 0.000) 11.518 4.759 ( 0.000 -7.632 0.000) 7.632 6.532 ( 0.000 5.612 0.000) 5.612 6.883 ( 0.000 -4.045 0.000) 4.045 7.321 ( 0.000 3.865 0.000) 3.865 7.745 ( 0.000 -8.158 0.000) 8.158 8.120 ( 0.000 7.665 0.000) 7.665 8.484 ( 0.000 -0.007 0.000) 0.007 8.752 ( 0.000 7.133 0.000) 7.133 9.739 ( 0.000 4.778 0.000) 4.778 9.791 ( 0.000 -25.461 0.000) 25.461 10.608 ( 0.000 -21.630 0.000) 21.630 10.631 ( 0.000 12.032 0.000) 12.032 10.845 ( 0.000 3.440 0.000) 3.440 11.035 ( 0.000 -4.956 0.000) 4.956 11.097 ( 0.000 -5.903 0.000) 5.903 11.182 ( 0.000 23.387 0.000) 23.387 12.033 ( 0.000 5.244 0.000) 5.244 12.350 ( 0.000 4.649 0.000) 4.649 12.476 ( 0.000 15.603 0.000) 15.603 12.856 ( 0.000 -0.520 0.000) 0.520 12.872 ( 0.000 -7.559 0.000) 7.559 13.091 ( 0.000 2.551 0.000) 2.551 13.140 ( 0.000 -0.191 0.000) 0.191 13.397 ( 0.000 -1.076 0.000) 1.076 13.632 ( 0.000 8.985 0.000) 8.985 13.718 ( 0.000 -11.055 0.000) 11.055 14.120 ( 0.000 -8.350 0.000) 8.350 14.244 ( 0.000 6.062 0.000) 6.062 14.388 ( 0.000 2.968 0.000) 2.968 14.408 ( 0.000 -5.550 0.000) 5.550 14.596 ( 0.000 -8.408 0.000) 8.408 15.653 ( 0.000 21.537 0.000) 21.537 16.196 ( 0.000 12.048 0.000) 12.048 16.326 ( 0.000 -6.404 0.000) 6.404 16.336 ( 0.000 -5.368 0.000) 5.368 16.439 ( 0.000 3.602 0.000) 3.602 17.124 ( 0.000 -3.538 0.000) 3.538 17.200 ( 0.000 -13.134 0.000) 13.134 17.846 ( 0.000 -32.207 0.000) 32.207 18.081 ( 0.000 11.622 0.000) 11.622 18.352 ( 0.000 5.767 0.000) 5.767 18.642 ( 0.000 -5.339 0.000) 5.339 18.814 ( 0.000 6.044 0.000) 6.044 19.053 ( 0.000 -19.260 0.000) 19.260 19.394 ( 0.000 -9.474 0.000) 9.474 21.068 ( 0.000 27.539 0.000) 27.539 21.156 ( 0.000 16.233 0.000) 16.233 21.580 ( 0.000 0.830 0.000) 0.830 22.357 ( 0.000 -14.082 0.000) 14.082 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 11.642 30.290 0.000) 32.451 1.654 ( 3.694 35.252 0.000) 35.445 2.769 ( 25.753 38.953 0.000) 46.696 2.918 ( 0.672 -7.460 0.000) 7.491 3.250 ( -1.299 -14.102 0.000) 14.161 3.455 ( 0.594 0.776 0.000) 0.977 3.682 ( -3.366 -2.245 0.000) 4.046 3.904 ( -5.418 -8.500 0.000) 10.080 4.214 ( -1.177 7.654 0.000) 7.744 4.241 ( -1.895 -2.154 0.000) 2.869 4.664 ( -6.177 -7.731 0.000) 9.896 4.698 ( -5.730 -6.550 0.000) 8.702 6.641 ( 10.240 5.067 0.000) 11.425 6.952 ( 6.385 -3.282 0.000) 7.179 7.310 ( -1.508 19.558 0.000) 19.616 7.939 ( 5.773 1.207 0.000) 5.898 7.980 ( 5.982 -6.248 0.000) 8.650 8.505 ( -0.144 -2.935 0.000) 2.938 8.760 ( 3.273 6.756 0.000) 7.507 9.718 ( -2.313 4.432 0.000) 4.999 9.822 ( 1.785 -26.269 0.000) 26.330 10.235 ( -19.947 -3.077 0.000) 20.183 10.791 ( -4.521 0.827 0.000) 4.596 10.882 ( 6.630 -2.900 0.000) 7.236 10.997 ( -2.944 -4.570 0.000) 5.436 11.052 ( -1.557 -4.820 0.000) 5.065 11.151 ( -3.161 18.531 0.000) 18.798 11.874 ( -10.896 4.109 0.000) 11.645 12.494 ( 8.724 5.738 0.000) 10.442 12.523 ( -1.360 17.059 0.000) 17.113 12.876 ( 0.257 -5.994 0.000) 6.000 12.964 ( 11.892 0.659 0.000) 11.911 13.116 ( 4.353 -1.120 0.000) 4.495 13.236 ( 7.607 1.814 0.000) 7.820 13.636 ( 0.390 8.704 0.000) 8.713 13.638 ( 16.030 -1.079 0.000) 16.066 13.750 ( 4.845 -10.619 0.000) 11.673 14.114 ( -2.101 -7.451 0.000) 7.742 14.356 ( -3.139 -6.655 0.000) 7.358 14.414 ( 15.731 5.162 0.000) 16.556 14.509 ( 11.969 2.058 0.000) 12.145 14.597 ( 0.369 -8.388 0.000) 8.396 15.670 ( 1.617 22.455 0.000) 22.513 16.019 ( -11.314 7.386 0.000) 13.511 16.201 ( -11.930 -2.132 0.000) 12.119 16.357 ( 2.160 -8.308 0.000) 8.584 16.399 ( -13.321 -5.138 0.000) 14.277 16.941 ( 5.218 9.957 0.000) 11.241 17.596 ( 19.063 -16.980 0.000) 25.529 17.888 ( 4.138 -29.525 0.000) 29.813 17.992 ( -11.261 7.596 0.000) 13.584 18.315 ( 0.499 6.692 0.000) 6.711 18.601 ( -3.523 -11.650 0.000) 12.171 18.713 ( -9.545 5.823 0.000) 11.181 19.094 ( 1.653 -18.537 0.000) 18.611 19.287 ( -10.079 -9.238 0.000) 13.672 21.112 ( 4.317 26.428 0.000) 26.779 21.202 ( 4.234 15.700 0.000) 16.261 21.600 ( 1.829 1.165 0.000) 2.169 22.288 ( -5.654 -9.526 0.000) 11.078 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 17.047 18.702 0.000) 25.305 1.960 ( 17.336 20.535 0.000) 26.874 2.942 ( 1.652 -7.338 0.000) 7.522 3.203 ( 5.207 4.038 0.000) 6.589 3.290 ( 12.496 0.915 0.000) 12.530 3.476 ( 1.355 -2.353 0.000) 2.715 3.569 ( -7.300 -3.543 0.000) 8.114 3.755 ( -8.369 -8.289 0.000) 11.779 4.174 ( -2.691 6.575 0.000) 7.105 4.200 ( -1.704 1.128 0.000) 2.044 4.499 ( -8.816 -0.812 0.000) 8.854 4.530 ( -9.887 -3.885 0.000) 10.623 6.940 ( 17.796 3.521 0.000) 18.141 7.133 ( 10.302 -0.841 0.000) 10.336 7.249 ( -2.261 33.293 0.000) 33.370 8.062 ( 14.467 -1.897 0.000) 14.591 8.379 ( 17.601 -5.256 0.000) 18.369 8.481 ( -0.185 -6.276 0.000) 6.279 8.948 ( 15.912 1.255 0.000) 15.961 9.604 ( -10.710 2.725 0.000) 11.051 9.827 ( -16.825 -0.611 0.000) 16.836 9.861 ( 2.766 -22.463 0.000) 22.633 10.666 ( -6.865 -0.184 0.000) 6.868 10.877 ( -3.380 0.945 0.000) 3.509 10.958 ( -0.209 -6.780 0.000) 6.784 10.977 ( -8.429 6.942 0.000) 10.920 11.143 ( 1.394 2.756 0.000) 3.088 11.663 ( -8.558 2.242 0.000) 8.847 12.394 ( -8.923 20.045 0.000) 21.941 12.541 ( -6.873 7.184 0.000) 9.942 12.923 ( 5.194 -5.764 0.000) 7.759 13.216 ( 3.442 -5.347 0.000) 6.359 13.302 ( 18.263 -0.847 0.000) 18.283 13.434 ( 10.869 3.753 0.000) 11.499 13.653 ( 1.431 8.076 0.000) 8.201 13.733 ( 0.385 -2.079 0.000) 2.114 13.994 ( -7.285 -2.878 0.000) 7.833 14.096 ( 20.418 2.626 0.000) 20.586 14.341 ( 0.959 -9.600 0.000) 9.647 14.623 ( 2.067 -9.125 0.000) 9.357 14.850 ( 20.460 0.403 0.000) 20.464 14.890 ( 26.843 2.980 0.000) 27.008 15.689 ( -3.649 14.081 0.000) 14.546 15.782 ( -10.764 7.305 0.000) 13.009 15.874 ( -18.151 2.659 0.000) 18.344 16.064 ( -11.058 2.364 0.000) 11.308 16.418 ( 4.420 -10.772 0.000) 11.643 17.203 ( 15.786 10.957 0.000) 19.216 17.660 ( -18.252 8.509 0.000) 20.138 17.898 ( 9.072 -28.037 0.000) 29.468 18.032 ( 8.659 -17.106 0.000) 19.173 18.352 ( 0.568 7.220 0.000) 7.242 18.433 ( -15.787 4.234 0.000) 16.345 18.526 ( -2.566 -25.166 0.000) 25.296 18.985 ( -18.524 -9.029 0.000) 20.607 19.053 ( -5.973 -16.303 0.000) 17.363 21.245 ( 8.105 22.400 0.000) 23.821 21.323 ( 7.075 14.306 0.000) 15.960 21.646 ( 2.270 2.206 0.000) 3.165 22.156 ( -6.727 -3.459 0.000) 7.564 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 19.718 4.610 0.000) 20.250 2.332 ( 17.521 11.245 0.000) 20.819 2.984 ( 2.085 -7.205 0.000) 7.501 3.259 ( 3.180 -9.207 0.000) 9.741 3.352 ( -9.673 -1.554 0.000) 9.798 3.487 ( 0.974 -2.365 0.000) 2.557 3.499 ( -0.250 -5.401 0.000) 5.406 3.581 ( -7.126 -7.589 0.000) 10.410 4.104 ( -3.837 5.058 0.000) 6.348 4.162 ( -2.886 3.677 0.000) 4.675 4.319 ( -9.082 -0.945 0.000) 9.131 4.329 ( -6.790 2.945 0.000) 7.401 7.283 ( 5.388 29.455 0.000) 29.944 7.331 ( 13.275 3.335 0.000) 13.688 7.374 ( 17.482 1.766 0.000) 17.571 8.367 ( -2.241 -3.792 0.000) 4.404 8.428 ( 11.134 -0.841 0.000) 11.166 8.765 ( 18.492 1.481 0.000) 18.551 9.247 ( -19.868 2.745 0.000) 20.057 9.385 ( 21.141 -8.305 0.000) 22.714 9.590 ( -8.362 -2.718 0.000) 8.793 10.012 ( 14.878 -12.382 0.000) 19.356 10.555 ( -2.515 1.961 0.000) 3.189 10.664 ( -16.996 7.124 0.000) 18.429 10.867 ( -3.377 3.436 0.000) 4.818 10.984 ( 2.342 -9.856 0.000) 10.130 11.114 ( -2.807 2.206 0.000) 3.570 11.488 ( -10.530 0.434 0.000) 10.538 12.200 ( -9.054 21.210 0.000) 23.061 12.276 ( -15.150 9.404 0.000) 17.831 13.011 ( 1.786 -11.723 0.000) 11.858 13.212 ( -3.287 -12.266 0.000) 12.699 13.657 ( 10.549 4.624 0.000) 11.518 13.680 ( 0.627 7.280 0.000) 7.307 13.702 ( 14.723 7.583 0.000) 16.561 13.751 ( 6.019 -3.917 0.000) 7.181 13.945 ( 4.312 5.846 0.000) 7.265 14.353 ( 0.247 -11.472 0.000) 11.474 14.533 ( 21.137 5.445 0.000) 21.827 14.655 ( -0.490 -11.263 0.000) 11.273 15.189 ( 9.262 0.360 0.000) 9.269 15.290 ( -9.213 -3.174 0.000) 9.745 15.402 ( -15.476 2.539 0.000) 15.683 15.604 ( -10.261 6.318 0.000) 12.050 15.723 ( 24.005 11.030 0.000) 26.418 16.092 ( 10.269 19.704 0.000) 22.220 16.595 ( 12.723 -10.170 0.000) 16.288 17.295 ( -14.687 10.177 0.000) 17.869 17.543 ( 16.302 2.769 0.000) 16.536 17.833 ( -23.195 4.458 0.000) 23.620 18.093 ( 4.405 -30.308 0.000) 30.626 18.291 ( -5.800 -8.679 0.000) 10.439 18.335 ( 5.815 -8.988 0.000) 10.705 18.514 ( 0.494 -18.724 0.000) 18.730 18.538 ( -22.567 -10.417 0.000) 24.856 18.858 ( -12.019 -12.907 0.000) 17.636 21.425 ( 8.517 16.610 0.000) 18.667 21.487 ( 8.452 12.105 0.000) 14.763 21.682 ( 0.828 4.082 0.000) 4.165 22.010 ( -7.294 1.154 0.000) 7.385 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 12.525 -2.257 0.000) 12.727 2.654 ( 11.579 2.886 0.000) 11.934 3.008 ( 0.093 -4.081 0.000) 4.082 3.111 ( -10.701 1.895 0.000) 10.867 3.346 ( 3.069 -14.733 0.000) 15.049 3.408 ( -4.790 -9.435 0.000) 10.581 3.477 ( 0.156 -2.152 0.000) 2.158 3.518 ( -2.106 -5.578 0.000) 5.962 4.039 ( -1.244 4.221 0.000) 4.401 4.075 ( -4.160 3.526 0.000) 5.454 4.200 ( -1.885 0.731 0.000) 2.022 4.224 ( -3.437 2.138 0.000) 4.048 7.423 ( 6.234 21.879 0.000) 22.750 7.474 ( 2.195 12.056 0.000) 12.254 7.803 ( 20.066 -1.733 0.000) 20.141 8.166 ( -14.033 -4.492 0.000) 14.735 8.646 ( 8.763 1.395 0.000) 8.874 8.876 ( -14.508 2.891 0.000) 14.793 9.181 ( 17.210 -1.038 0.000) 17.241 9.424 ( -8.235 -6.264 0.000) 10.347 9.754 ( 18.614 -1.517 0.000) 18.676 10.227 ( -24.004 8.961 0.000) 25.622 10.516 ( 27.536 -6.954 0.000) 28.400 10.593 ( 7.969 5.378 0.000) 9.614 10.738 ( -8.323 2.517 0.000) 8.695 11.044 ( 3.142 -9.353 0.000) 9.866 11.058 ( -7.832 -4.942 0.000) 9.261 11.154 ( -17.445 0.262 0.000) 17.447 12.037 ( -5.776 14.920 0.000) 15.999 12.042 ( -5.133 20.141 0.000) 20.785 13.036 ( 2.123 -15.919 0.000) 16.060 13.116 ( -5.041 -15.496 0.000) 16.295 13.694 ( 0.882 10.986 0.000) 11.021 13.710 ( -0.482 14.575 0.000) 14.583 13.905 ( 9.585 -1.789 0.000) 9.751 14.037 ( -0.947 4.622 0.000) 4.718 14.131 ( 19.580 -4.322 0.000) 20.052 14.430 ( 5.339 -8.001 0.000) 9.619 14.533 ( -6.551 -11.214 0.000) 12.987 14.842 ( -16.918 -12.595 0.000) 21.091 14.976 ( 13.399 14.740 0.000) 19.919 15.209 ( -3.572 4.459 0.000) 5.714 15.275 ( -0.806 3.660 0.000) 3.748 15.353 ( -12.534 6.624 0.000) 14.177 16.375 ( 15.572 19.222 0.000) 24.738 16.448 ( 37.638 7.067 0.000) 38.296 16.682 ( -10.602 11.047 0.000) 15.312 17.207 ( -34.153 6.379 0.000) 34.743 17.318 ( 21.246 -6.121 0.000) 22.111 17.866 ( 0.684 -7.095 0.000) 7.128 17.884 ( -13.337 -13.997 0.000) 19.333 18.128 ( -9.934 -17.928 0.000) 20.496 18.347 ( 7.943 -16.357 0.000) 18.184 18.467 ( 4.315 -14.040 0.000) 14.688 18.508 ( -2.025 -8.716 0.000) 8.948 18.592 ( -12.020 -15.774 0.000) 19.832 21.579 ( 5.875 11.224 0.000) 12.669 21.652 ( 2.503 8.279 0.000) 8.649 21.685 ( 3.962 7.761 0.000) 8.714 21.849 ( -8.109 5.254 0.000) 9.662 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 0.000 28.820 0.000) 28.820 2.360 ( 0.000 31.398 0.000) 31.398 2.631 ( 0.000 -20.215 0.000) 20.215 2.883 ( 0.000 -20.646 0.000) 20.646 3.278 ( 0.000 29.116 0.000) 29.116 3.573 ( 0.000 9.272 0.000) 9.272 3.636 ( 0.000 -8.360 0.000) 8.360 3.774 ( 0.000 -10.491 0.000) 10.491 4.263 ( 0.000 4.370 0.000) 4.370 4.401 ( 0.000 9.597 0.000) 9.597 4.464 ( 0.000 -14.466 0.000) 14.466 4.590 ( 0.000 -9.390 0.000) 9.390 6.655 ( 0.000 6.720 0.000) 6.720 6.783 ( 0.000 -6.064 0.000) 6.064 7.423 ( 0.000 6.576 0.000) 6.576 7.574 ( 0.000 -8.634 0.000) 8.634 8.305 ( 0.000 9.858 0.000) 9.858 8.449 ( 0.000 -4.265 0.000) 4.265 8.938 ( 0.000 12.944 0.000) 12.944 9.295 ( 0.000 -23.241 0.000) 23.241 9.905 ( 0.000 12.271 0.000) 12.271 10.210 ( 0.000 -18.472 0.000) 18.472 10.830 ( 0.000 8.435 0.000) 8.435 10.910 ( 0.000 3.040 0.000) 3.040 10.965 ( 0.000 -2.809 0.000) 2.809 10.974 ( 0.000 -6.625 0.000) 6.625 11.665 ( 0.000 23.499 0.000) 23.499 12.002 ( 0.000 -9.354 0.000) 9.354 12.479 ( 0.000 8.592 0.000) 8.592 12.680 ( 0.000 -11.218 0.000) 11.218 12.722 ( 0.000 8.971 0.000) 8.971 12.829 ( 0.000 -2.687 0.000) 2.687 13.137 ( 0.000 1.807 0.000) 1.807 13.147 ( 0.000 0.592 0.000) 0.592 13.399 ( 0.000 2.218 0.000) 2.218 13.513 ( 0.000 -9.099 0.000) 9.099 13.806 ( 0.000 8.152 0.000) 8.152 13.953 ( 0.000 -7.748 0.000) 7.748 14.344 ( 0.000 0.192 0.000) 0.192 14.354 ( 0.000 4.649 0.000) 4.649 14.410 ( 0.000 -0.880 0.000) 0.880 14.429 ( 0.000 -7.634 0.000) 7.634 16.173 ( 0.000 29.105 0.000) 29.105 16.237 ( 0.000 -2.186 0.000) 2.186 16.248 ( 0.000 -3.037 0.000) 3.037 16.428 ( 0.000 11.434 0.000) 11.434 16.472 ( 0.000 -1.719 0.000) 1.719 16.831 ( 0.000 -25.830 0.000) 25.830 17.099 ( 0.000 2.394 0.000) 2.394 17.293 ( 0.000 -19.605 0.000) 19.605 18.315 ( 0.000 11.688 0.000) 11.688 18.493 ( 0.000 8.933 0.000) 8.933 18.512 ( 0.000 -8.171 0.000) 8.171 18.721 ( 0.000 -14.508 0.000) 14.508 18.981 ( 0.000 10.158 0.000) 10.158 19.191 ( 0.000 -10.923 0.000) 10.923 21.419 ( 0.000 10.269 0.000) 10.269 21.555 ( 0.000 -3.777 0.000) 3.777 21.582 ( 0.000 24.656 0.000) 24.656 22.022 ( 0.000 -20.026 0.000) 20.026 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 5.622 26.348 0.000) 26.941 2.320 ( -1.890 31.661 0.000) 31.717 2.655 ( 2.239 -18.820 0.000) 18.952 2.866 ( -1.517 -23.480 0.000) 23.528 3.382 ( 7.559 20.533 0.000) 21.880 3.545 ( -2.479 7.635 0.000) 8.028 3.616 ( -2.184 -5.639 0.000) 6.047 3.721 ( -4.714 -9.731 0.000) 10.812 4.273 ( 1.127 6.498 0.000) 6.595 4.379 ( -2.181 8.872 0.000) 9.136 4.470 ( 0.059 -11.512 0.000) 11.512 4.550 ( -3.795 -8.361 0.000) 9.182 6.753 ( 9.111 6.056 0.000) 10.940 6.867 ( 7.809 -5.329 0.000) 9.454 7.565 ( 13.104 9.610 0.000) 16.250 7.757 ( 16.487 -10.404 0.000) 19.495 8.190 ( -8.685 14.712 0.000) 17.084 8.414 ( -3.435 -7.358 0.000) 8.120 8.942 ( 1.795 13.074 0.000) 13.197 9.309 ( 1.760 -24.117 0.000) 24.181 9.857 ( -4.983 9.563 0.000) 10.783 10.072 ( -12.021 -11.419 0.000) 16.580 10.838 ( -5.622 3.462 0.000) 6.602 10.884 ( 3.675 2.547 0.000) 4.471 10.914 ( -4.334 -4.111 0.000) 5.973 10.955 ( -1.122 -4.466 0.000) 4.605 11.571 ( -7.802 20.520 0.000) 21.953 11.855 ( -10.911 -7.250 0.000) 13.100 12.607 ( 8.513 5.967 0.000) 10.396 12.739 ( 4.128 -7.448 0.000) 8.516 12.812 ( 3.717 11.508 0.000) 12.094 12.947 ( 10.401 -2.950 0.000) 10.811 13.127 ( 1.212 3.060 0.000) 3.292 13.223 ( 4.404 -4.335 0.000) 6.180 13.589 ( 11.305 -1.586 0.000) 11.416 13.617 ( 16.947 -3.432 0.000) 17.291 13.800 ( -0.659 7.625 0.000) 7.653 13.948 ( -0.974 -8.255 0.000) 8.312 14.302 ( -2.987 2.007 0.000) 3.598 14.421 ( -0.494 -8.815 0.000) 8.829 14.503 ( 13.588 3.404 0.000) 14.008 14.535 ( 12.087 0.137 0.000) 12.088 16.064 ( -11.271 12.013 0.000) 16.472 16.168 ( -7.085 -0.120 0.000) 7.086 16.201 ( -16.308 1.018 0.000) 16.339 16.218 ( -1.834 -5.219 0.000) 5.532 16.401 ( -1.213 20.191 0.000) 20.228 17.022 ( 10.476 -32.237 0.000) 33.897 17.191 ( 9.365 10.046 0.000) 13.734 17.464 ( 13.595 -15.653 0.000) 20.732 18.167 ( -12.837 9.526 0.000) 15.986 18.343 ( -9.316 -7.337 0.000) 11.858 18.541 ( -0.039 8.203 0.000) 8.203 18.772 ( 2.199 -14.299 0.000) 14.468 18.879 ( -9.675 10.110 0.000) 13.993 19.087 ( -9.822 -10.805 0.000) 14.602 21.456 ( 3.347 9.815 0.000) 10.370 21.583 ( 2.539 -3.368 0.000) 4.218 21.603 ( 2.022 23.377 0.000) 23.465 22.012 ( -0.876 -17.995 0.000) 18.017 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 4.596 26.001 0.000) 26.404 2.367 ( 9.204 20.171 0.000) 22.171 2.720 ( 3.793 -15.208 0.000) 15.673 2.845 ( 0.248 -24.084 0.000) 24.085 3.485 ( -2.857 3.410 0.000) 4.449 3.489 ( 1.358 5.342 0.000) 5.511 3.537 ( -5.249 -0.926 0.000) 5.330 3.596 ( -6.763 -7.405 0.000) 10.029 4.300 ( 0.596 7.878 0.000) 7.900 4.309 ( -4.502 6.894 0.000) 8.234 4.434 ( -7.028 -5.789 0.000) 9.105 4.440 ( -3.284 -5.388 0.000) 6.310 7.018 ( 15.748 4.180 0.000) 16.293 7.093 ( 13.288 -3.155 0.000) 13.657 7.840 ( 5.192 25.103 0.000) 25.634 8.127 ( 11.692 7.922 0.000) 14.124 8.200 ( 21.844 -12.566 0.000) 25.200 8.329 ( -2.956 -9.814 0.000) 10.250 9.059 ( 10.143 11.032 0.000) 14.986 9.397 ( 7.608 -22.591 0.000) 23.837 9.678 ( -12.841 4.558 0.000) 13.626 9.770 ( -15.135 -4.454 0.000) 15.777 10.715 ( -5.393 4.537 0.000) 7.048 10.826 ( -3.246 -6.487 0.000) 7.254 10.902 ( -1.470 2.298 0.000) 2.728 10.967 ( 0.295 -3.830 0.000) 3.842 11.391 ( -8.653 16.011 0.000) 18.200 11.628 ( -10.156 -6.886 0.000) 12.270 12.683 ( -3.799 6.880 0.000) 7.859 12.765 ( -6.586 17.583 0.000) 18.776 12.808 ( 1.726 -6.012 0.000) 6.255 13.058 ( -2.648 -11.546 0.000) 11.845 13.303 ( 15.118 1.349 0.000) 15.178 13.370 ( 11.073 -5.567 0.000) 12.394 13.790 ( 0.376 6.125 0.000) 6.137 13.868 ( 13.564 11.341 0.000) 17.680 13.914 ( -0.509 -5.999 0.000) 6.021 14.058 ( 21.364 -6.597 0.000) 22.359 14.262 ( -0.829 3.392 0.000) 3.492 14.422 ( 0.549 -10.616 0.000) 10.630 14.871 ( 20.012 1.908 0.000) 20.103 14.907 ( 21.983 -1.066 0.000) 22.009 15.779 ( -14.855 3.384 0.000) 15.236 15.853 ( -15.065 -3.417 0.000) 15.448 15.984 ( -8.655 8.605 0.000) 12.205 16.191 ( 0.704 -11.816 0.000) 11.837 16.463 ( 5.933 33.219 0.000) 33.745 17.171 ( 5.749 -36.316 0.000) 36.768 17.476 ( 15.323 12.240 0.000) 19.611 17.752 ( 12.420 -14.289 0.000) 18.932 17.854 ( -16.002 11.447 0.000) 19.674 18.122 ( -11.502 -16.557 0.000) 20.160 18.525 ( -1.425 10.419 0.000) 10.516 18.588 ( -17.654 9.769 0.000) 20.176 18.759 ( -3.540 -13.534 0.000) 13.990 18.790 ( -18.339 -10.513 0.000) 21.138 21.550 ( 5.402 8.481 0.000) 10.055 21.652 ( 3.756 -2.117 0.000) 4.312 21.662 ( 3.387 19.511 0.000) 19.803 21.987 ( -1.509 -13.178 0.000) 13.264 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 9.895 16.529 0.000) 19.265 2.571 ( 9.761 12.643 0.000) 15.973 2.806 ( 4.218 -10.879 0.000) 11.668 2.888 ( 3.568 -21.555 0.000) 21.848 3.392 ( -7.327 3.629 0.000) 8.177 3.428 ( -3.389 -1.150 0.000) 3.579 3.461 ( -5.306 -4.265 0.000) 6.808 3.463 ( -3.649 -2.914 0.000) 4.669 4.202 ( -5.178 4.699 0.000) 6.992 4.265 ( -4.051 5.559 0.000) 6.878 4.280 ( -6.909 -3.082 0.000) 7.566 4.341 ( -5.651 -1.794 0.000) 5.929 7.379 ( 17.400 1.763 0.000) 17.489 7.397 ( 15.851 0.155 0.000) 15.852 7.842 ( -0.567 25.457 0.000) 25.463 8.214 ( -5.577 -12.405 0.000) 13.601 8.498 ( 15.907 7.210 0.000) 17.465 8.683 ( 19.751 -9.703 0.000) 22.006 9.339 ( -17.575 6.448 0.000) 18.720 9.388 ( 21.321 9.874 0.000) 23.496 9.481 ( -13.085 -7.371 0.000) 15.018 9.691 ( 22.240 -18.353 0.000) 28.835 10.646 ( -0.500 6.598 0.000) 6.617 10.798 ( 0.876 -8.812 0.000) 8.856 10.810 ( -9.232 6.669 0.000) 11.388 10.904 ( -5.702 -1.956 0.000) 6.028 11.217 ( -8.724 9.940 0.000) 13.225 11.417 ( -11.638 -7.966 0.000) 14.104 12.500 ( -10.561 12.997 0.000) 16.747 12.601 ( -8.442 19.339 0.000) 21.101 12.764 ( -4.732 -13.383 0.000) 14.195 12.944 ( -6.980 -15.547 0.000) 17.042 13.623 ( 13.843 -0.742 0.000) 13.863 13.649 ( 15.169 -3.373 0.000) 15.540 13.839 ( 4.526 9.205 0.000) 10.257 14.007 ( 9.437 -4.536 0.000) 10.470 14.079 ( 6.357 20.249 0.000) 21.223 14.229 ( -3.259 3.586 0.000) 4.846 14.418 ( -1.861 -12.215 0.000) 12.356 14.435 ( 13.216 -14.187 0.000) 19.389 15.201 ( 7.034 3.017 0.000) 7.654 15.263 ( 7.331 -2.219 0.000) 7.660 15.486 ( -11.773 5.557 0.000) 13.019 15.595 ( -10.351 -4.664 0.000) 11.353 16.016 ( 18.343 17.555 0.000) 25.390 16.349 ( 16.708 -15.254 0.000) 22.624 16.626 ( 9.435 32.649 0.000) 33.985 17.298 ( 6.529 -33.106 0.000) 33.744 17.527 ( -14.852 14.237 0.000) 20.574 17.765 ( 10.384 4.109 0.000) 11.167 17.870 ( -8.412 -2.729 0.000) 8.844 17.881 ( -11.332 -22.197 0.000) 24.922 18.242 ( -7.955 0.803 0.000) 7.995 18.351 ( -21.738 -8.560 0.000) 23.362 18.480 ( -2.963 5.457 0.000) 6.209 18.633 ( -8.249 -9.843 0.000) 12.842 21.670 ( 5.875 6.195 0.000) 8.538 21.728 ( 3.255 0.092 0.000) 3.257 21.732 ( 3.049 13.954 0.000) 14.284 21.947 ( -2.428 -7.457 0.000) 7.843 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 7.631 8.253 0.000) 11.241 2.740 ( 4.847 6.204 0.000) 7.873 2.889 ( 3.773 -8.045 0.000) 8.886 2.946 ( 0.122 -15.102 0.000) 15.102 3.273 ( -2.304 5.047 0.000) 5.548 3.318 ( -5.278 0.847 0.000) 5.346 3.391 ( -2.107 -6.022 0.000) 6.380 3.398 ( -2.099 -5.999 0.000) 6.356 4.126 ( -1.223 4.160 0.000) 4.336 4.164 ( -4.347 4.568 0.000) 6.306 4.188 ( -1.189 -2.002 0.000) 2.329 4.229 ( -4.450 -1.687 0.000) 4.759 7.667 ( 10.867 7.160 0.000) 13.014 7.761 ( 16.603 -2.946 0.000) 16.863 7.815 ( -3.320 16.585 0.000) 16.914 8.050 ( -10.743 -8.053 0.000) 13.426 8.748 ( 10.307 9.568 0.000) 14.063 8.999 ( -14.329 9.570 0.000) 17.231 8.999 ( 11.355 -14.179 0.000) 18.165 9.225 ( -11.296 -12.353 0.000) 16.739 9.930 ( 29.011 16.324 0.000) 33.289 10.274 ( 29.536 -16.644 0.000) 33.902 10.486 ( -21.942 15.109 0.000) 26.641 10.719 ( 8.078 7.176 0.000) 10.805 10.727 ( -12.607 -6.919 0.000) 14.380 10.870 ( 6.188 -8.303 0.000) 10.355 10.994 ( -13.687 1.497 0.000) 13.769 11.090 ( -17.024 -5.828 0.000) 17.994 12.365 ( -1.041 17.775 0.000) 17.805 12.436 ( -6.637 19.609 0.000) 20.702 12.711 ( 1.042 -17.257 0.000) 17.288 12.798 ( -6.389 -17.231 0.000) 18.377 13.884 ( 10.792 2.048 0.000) 10.985 13.930 ( 9.756 -0.133 0.000) 9.757 13.943 ( 3.883 13.471 0.000) 14.019 14.109 ( -7.960 1.509 0.000) 8.101 14.166 ( 4.128 13.936 0.000) 14.534 14.262 ( 11.108 -7.324 0.000) 13.305 14.323 ( -4.634 -9.321 0.000) 10.410 14.519 ( -6.250 -18.667 0.000) 19.686 15.234 ( 3.093 9.287 0.000) 9.789 15.320 ( -4.311 5.942 0.000) 7.341 15.321 ( 0.437 -0.132 0.000) 0.456 15.402 ( -8.064 -1.460 0.000) 8.195 16.630 ( 34.344 11.707 0.000) 36.284 16.822 ( 21.468 -2.723 0.000) 21.640 16.838 ( 9.845 27.631 0.000) 29.332 17.281 ( -4.228 8.861 0.000) 9.818 17.327 ( -24.526 -3.128 0.000) 24.724 17.493 ( 0.680 -17.022 0.000) 17.035 17.622 ( -24.547 -12.878 0.000) 27.720 17.659 ( -9.802 -25.453 0.000) 27.275 18.195 ( 8.569 1.933 0.000) 8.784 18.296 ( 6.095 -7.007 0.000) 9.287 18.392 ( -6.421 -0.869 0.000) 6.480 18.437 ( -9.192 -4.603 0.000) 10.280 21.774 ( 1.930 3.889 0.000) 4.341 21.778 ( 1.124 8.318 0.000) 8.394 21.791 ( 4.570 2.362 0.000) 5.144 21.883 ( -3.785 -1.986 0.000) 4.275 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 0.000 0.000 34.862) 34.862 0.799 ( 0.000 0.000 39.754) 39.754 1.299 ( 0.000 0.000 63.565) 63.565 2.969 ( 0.000 0.000 3.438) 3.438 3.417 ( 0.000 0.000 -9.425) 9.425 3.539 ( 0.000 0.000 0.714) 0.714 3.736 ( 0.000 0.000 0.066) 0.066 4.044 ( 0.000 0.000 -1.723) 1.723 4.111 ( 0.000 0.000 -3.521) 3.521 4.309 ( 0.000 0.000 -5.161) 5.161 4.817 ( 0.000 0.000 -12.957) 12.957 4.906 ( 0.000 0.000 -1.671) 1.671 6.144 ( 0.000 0.000 3.685) 3.685 7.157 ( 0.000 0.000 19.627) 19.627 7.314 ( 0.000 0.000 5.909) 5.909 7.975 ( 0.000 0.000 7.881) 7.881 8.144 ( 0.000 0.000 -4.007) 4.007 8.443 ( 0.000 0.000 -1.949) 1.949 8.529 ( 0.000 0.000 -6.614) 6.614 9.723 ( 0.000 0.000 0.253) 0.253 10.222 ( 0.000 0.000 -7.114) 7.114 10.276 ( 0.000 0.000 -7.271) 7.271 10.673 ( 0.000 0.000 3.084) 3.084 10.674 ( 0.000 0.000 -7.413) 7.413 11.281 ( 0.000 0.000 -3.272) 3.272 11.362 ( 0.000 0.000 -5.420) 5.420 11.372 ( 0.000 0.000 1.763) 1.763 11.851 ( 0.000 0.000 7.600) 7.600 12.080 ( 0.000 0.000 15.235) 15.235 12.317 ( 0.000 0.000 2.770) 2.770 12.773 ( 0.000 0.000 -0.213) 0.213 13.061 ( 0.000 0.000 3.240) 3.240 13.090 ( 0.000 0.000 -6.777) 6.777 13.420 ( 0.000 0.000 -1.775) 1.775 13.469 ( 0.000 0.000 4.689) 4.689 13.505 ( 0.000 0.000 7.638) 7.638 13.789 ( 0.000 0.000 -1.233) 1.233 14.045 ( 0.000 0.000 0.001) 0.001 14.077 ( 0.000 0.000 -2.366) 2.366 14.245 ( 0.000 0.000 -3.178) 3.178 14.449 ( 0.000 0.000 -2.511) 2.511 14.650 ( 0.000 0.000 9.031) 9.031 15.352 ( 0.000 0.000 9.024) 9.024 15.875 ( 0.000 0.000 -3.215) 3.215 16.031 ( 0.000 0.000 -27.737) 27.737 16.312 ( 0.000 0.000 -11.617) 11.617 16.441 ( 0.000 0.000 -7.407) 7.407 17.267 ( 0.000 0.000 12.490) 12.490 17.749 ( 0.000 0.000 22.903) 22.903 18.080 ( 0.000 0.000 -5.965) 5.965 18.191 ( 0.000 0.000 -23.483) 23.483 18.730 ( 0.000 0.000 -2.330) 2.330 18.939 ( 0.000 0.000 -1.667) 1.667 19.000 ( 0.000 0.000 0.477) 0.477 19.498 ( 0.000 0.000 -1.977) 1.977 19.848 ( 0.000 0.000 -7.377) 7.377 20.273 ( 0.000 0.000 21.191) 21.191 20.660 ( 0.000 0.000 3.583) 3.583 21.541 ( 0.000 0.000 1.776) 1.776 22.259 ( 0.000 0.000 -4.215) 4.215 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 23.731 0.000 21.573) 32.071 1.211 ( 31.771 0.000 24.258) 39.973 1.831 ( 40.515 0.000 43.564) 59.492 3.000 ( 2.779 0.000 3.218) 4.252 3.436 ( 0.734 0.000 -8.274) 8.306 3.490 ( -1.473 0.000 -2.717) 3.091 3.739 ( -1.447 0.000 -0.478) 1.524 4.034 ( -0.062 0.000 -0.616) 0.619 4.060 ( -4.710 0.000 -3.501) 5.869 4.280 ( -2.336 0.000 -5.486) 5.962 4.686 ( -11.867 0.000 -11.180) 16.304 4.829 ( -7.334 0.000 -0.917) 7.392 6.206 ( 5.670 0.000 3.780) 6.815 6.827 ( -10.772 0.000 17.469) 20.524 7.192 ( 3.423 0.000 18.326) 18.643 8.115 ( 11.835 0.000 5.759) 13.162 8.487 ( 9.841 0.000 2.393) 10.128 8.523 ( -0.400 0.000 -3.288) 3.312 8.577 ( 13.026 0.000 -0.415) 13.033 9.683 ( -3.644 0.000 0.161) 3.647 10.060 ( -14.327 0.000 -5.459) 15.332 10.233 ( -4.474 0.000 -14.068) 14.762 10.684 ( 1.238 0.000 1.775) 2.164 10.802 ( 8.232 0.000 -6.260) 10.342 11.081 ( -13.446 0.000 -4.974) 14.337 11.405 ( 2.896 0.000 -5.784) 6.469 11.406 ( -3.363 0.000 5.274) 6.255 11.664 ( -12.258 0.000 15.382) 19.669 12.023 ( -5.012 0.000 13.755) 14.640 12.346 ( 3.244 0.000 -2.352) 4.007 12.882 ( 9.027 0.000 -0.308) 9.032 12.962 ( -2.407 0.000 -0.478) 2.454 13.133 ( 4.364 0.000 -4.477) 6.252 13.367 ( -1.921 0.000 -3.637) 4.113 13.378 ( 2.957 0.000 8.557) 9.054 13.599 ( 9.144 0.000 7.692) 11.949 13.995 ( -7.976 0.000 -12.380) 14.727 14.154 ( 17.166 0.000 -8.020) 18.947 14.229 ( 0.173 0.000 0.467) 0.498 14.463 ( 21.123 0.000 -15.083) 25.956 14.491 ( 2.451 0.000 -3.616) 4.368 14.767 ( 12.111 0.000 15.650) 19.789 15.275 ( -5.635 0.000 8.759) 10.415 15.857 ( -1.752 0.000 -2.265) 2.864 15.938 ( -8.099 0.000 -20.882) 22.398 16.282 ( -11.756 0.000 -17.229) 20.858 16.462 ( 9.130 0.000 -5.285) 10.549 17.047 ( -8.244 0.000 20.262) 21.875 17.747 ( -21.570 0.000 -17.369) 27.694 18.076 ( 19.610 0.000 16.789) 25.815 18.312 ( 1.720 0.000 -7.272) 7.472 18.404 ( -7.456 0.000 14.993) 16.744 18.953 ( 1.183 0.000 -0.691) 1.370 19.312 ( 2.412 0.000 -10.706) 10.974 19.487 ( -1.120 0.000 -1.540) 1.904 19.753 ( -8.046 0.000 -7.347) 10.895 20.383 ( 10.092 0.000 15.611) 18.589 20.696 ( 3.796 0.000 1.141) 3.964 21.546 ( 0.395 0.000 1.001) 1.076 22.101 ( -9.316 0.000 -2.273) 9.590 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 27.492 0.000 8.596) 28.805 1.913 ( 33.109 0.000 11.835) 35.160 2.643 ( 32.185 0.000 25.778) 41.236 3.075 ( 4.067 0.000 2.673) 4.867 3.407 ( -3.140 0.000 -5.867) 6.654 3.509 ( 1.036 0.000 -6.631) 6.712 3.737 ( 4.524 0.000 -2.709) 5.273 3.930 ( -7.310 0.000 -3.443) 8.080 4.030 ( -0.988 0.000 1.503) 1.799 4.216 ( -3.955 0.000 -6.291) 7.431 4.369 ( -17.192 0.000 -7.896) 18.918 4.624 ( -11.257 0.000 1.853) 11.408 6.371 ( 9.984 0.000 4.209) 10.835 6.908 ( 14.298 0.000 4.387) 14.956 7.288 ( 4.935 0.000 16.423) 17.149 8.371 ( 10.957 0.000 0.815) 10.987 8.523 ( 0.597 0.000 3.926) 3.971 8.608 ( 4.672 0.000 8.419) 9.628 9.000 ( 27.156 0.000 1.834) 27.218 9.599 ( -3.834 0.000 -0.046) 3.834 9.685 ( -20.277 0.000 -1.761) 20.354 10.119 ( -5.949 0.000 -13.825) 15.051 10.706 ( -18.376 0.000 -11.105) 21.471 10.737 ( 4.192 0.000 -0.214) 4.198 10.960 ( 1.419 0.000 -1.774) 2.272 11.270 ( -6.901 0.000 10.835) 12.846 11.413 ( -10.983 0.000 14.409) 18.117 11.431 ( -1.235 0.000 -6.591) 6.705 11.877 ( -9.389 0.000 10.328) 13.958 12.375 ( -4.032 0.000 -2.344) 4.663 13.003 ( 7.111 0.000 -5.738) 9.137 13.075 ( 7.867 0.000 -2.748) 8.333 13.289 ( 10.030 0.000 -6.265) 11.826 13.349 ( -0.034 0.000 -7.449) 7.449 13.519 ( 10.219 0.000 0.308) 10.224 13.770 ( -6.366 0.000 -11.066) 12.767 13.859 ( 10.522 0.000 9.306) 14.047 14.212 ( -4.331 0.000 2.934) 5.231 14.531 ( 16.447 0.000 -5.882) 17.468 14.593 ( 9.416 0.000 -7.298) 11.913 14.777 ( 11.399 0.000 -10.336) 15.387 15.146 ( 23.090 0.000 20.280) 30.731 15.190 ( -1.007 0.000 11.551) 11.594 15.724 ( -12.155 0.000 -13.348) 18.053 15.807 ( -2.440 0.000 -0.109) 2.443 15.875 ( -24.227 0.000 -14.260) 28.112 16.676 ( 9.350 0.000 -3.052) 9.835 17.114 ( 14.339 0.000 13.175) 19.473 17.258 ( -24.553 0.000 -18.251) 30.593 18.208 ( -11.744 0.000 2.539) 12.015 18.333 ( 4.512 0.000 11.166) 12.043 18.477 ( 11.967 0.000 17.339) 21.068 18.994 ( 2.981 0.000 1.011) 3.147 19.117 ( -17.359 0.000 -3.106) 17.635 19.450 ( -2.461 0.000 -0.508) 2.513 19.523 ( -14.368 0.000 -4.094) 14.940 20.659 ( 15.282 0.000 5.836) 16.359 20.819 ( 7.793 0.000 -3.631) 8.597 21.550 ( -0.259 0.000 -0.862) 0.900 21.923 ( -8.413 0.000 -6.957) 10.917 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 25.412 0.000 1.800) 25.476 2.532 ( 25.368 0.000 5.407) 25.938 3.078 ( 9.800 0.000 9.500) 13.649 3.149 ( 2.441 0.000 2.052) 3.189 3.290 ( -6.534 0.000 -1.079) 6.622 3.535 ( 1.706 0.000 -9.701) 9.850 3.780 ( -6.356 0.000 -3.337) 7.178 3.885 ( 1.295 0.000 -3.438) 3.674 4.021 ( -15.059 0.000 -5.420) 16.004 4.033 ( 5.743 0.000 4.451) 7.266 4.100 ( -6.652 0.000 -6.340) 9.190 4.423 ( -6.659 0.000 8.130) 10.510 6.621 ( 13.997 0.000 5.015) 14.869 7.323 ( 24.042 0.000 -0.521) 24.047 7.350 ( -0.255 0.000 13.994) 13.996 8.508 ( -3.968 0.000 1.968) 4.430 8.557 ( 7.305 0.000 -0.657) 7.334 8.769 ( 12.125 0.000 12.826) 17.650 9.261 ( -18.835 0.000 2.767) 19.038 9.531 ( -3.042 0.000 0.394) 3.068 9.657 ( 33.763 0.000 -0.332) 33.765 9.994 ( -5.724 0.000 -12.376) 13.636 10.311 ( -18.011 0.000 -17.005) 24.770 10.858 ( -8.495 0.000 9.520) 12.759 10.866 ( 8.088 0.000 -1.646) 8.253 11.089 ( -11.651 0.000 11.170) 16.141 11.328 ( -9.559 0.000 -6.060) 11.318 11.354 ( 5.448 0.000 7.544) 9.306 11.621 ( -14.663 0.000 3.449) 15.063 12.146 ( -15.757 0.000 2.766) 15.998 13.186 ( 3.254 0.000 -7.012) 7.730 13.245 ( 14.041 0.000 -10.865) 17.754 13.345 ( -0.942 0.000 -10.593) 10.635 13.496 ( 8.475 0.000 -9.152) 12.473 13.634 ( -2.820 0.000 -4.645) 5.434 13.814 ( 18.066 0.000 -5.442) 18.868 14.047 ( -10.002 0.000 5.112) 11.233 14.198 ( 18.454 0.000 12.027) 22.027 14.806 ( 9.925 0.000 -2.539) 10.245 14.832 ( 9.936 0.000 -5.005) 11.125 14.902 ( 1.378 0.000 -7.342) 7.470 15.239 ( -1.430 0.000 5.390) 5.577 15.355 ( -20.121 0.000 -10.846) 22.858 15.466 ( -11.845 0.000 1.484) 11.937 15.593 ( 11.815 0.000 5.773) 13.150 15.895 ( 19.573 0.000 11.779) 22.844 16.747 ( -23.788 0.000 -16.566) 28.987 16.933 ( 17.561 0.000 -0.052) 17.561 17.529 ( 22.837 0.000 4.244) 23.228 17.834 ( -23.534 0.000 9.207) 25.271 18.441 ( 5.700 0.000 11.373) 12.721 18.623 ( -9.226 0.000 7.847) 12.112 18.711 ( -9.935 0.000 6.721) 11.995 19.078 ( 4.866 0.000 1.603) 5.123 19.156 ( -20.239 0.000 -0.594) 20.248 19.384 ( -3.799 0.000 0.469) 3.828 20.980 ( 14.711 0.000 -0.698) 14.728 21.015 ( 10.802 0.000 -7.051) 12.900 21.524 ( -2.562 0.000 -2.829) 3.817 21.733 ( -9.894 0.000 -8.986) 13.365 ======================= Grid point 67 (25/120) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 21.226 0.000 -1.095) 21.254 2.951 ( 14.562 0.000 2.256) 14.735 2.968 ( -14.871 0.000 -1.900) 14.992 3.142 ( -4.089 0.000 1.612) 4.395 3.348 ( 8.397 0.000 0.987) 8.455 3.514 ( -5.539 0.000 -6.575) 8.597 3.698 ( -0.628 0.000 -3.344) 3.402 3.775 ( -8.015 0.000 -3.957) 8.939 3.845 ( 0.592 0.000 -6.727) 6.753 3.934 ( -6.699 0.000 -7.327) 9.928 4.221 ( 7.060 0.000 10.339) 12.520 4.328 ( -3.864 0.000 11.478) 12.111 6.942 ( 15.981 0.000 6.406) 17.217 7.236 ( -10.752 0.000 9.641) 14.441 7.851 ( 24.993 0.000 0.392) 24.996 8.299 ( -16.436 0.000 2.217) 16.585 8.709 ( 8.156 0.000 2.279) 8.468 8.925 ( -12.999 0.000 5.140) 13.978 9.104 ( 18.252 0.000 7.459) 19.717 9.419 ( -9.719 0.000 1.819) 9.887 9.909 ( -1.234 0.000 -13.377) 13.434 9.999 ( -10.553 0.000 -16.761) 19.806 10.361 ( 32.419 0.000 -4.179) 32.687 10.748 ( -0.120 0.000 12.709) 12.710 10.857 ( -9.411 0.000 12.274) 15.467 10.955 ( -20.562 0.000 -5.395) 21.258 11.091 ( 7.368 0.000 -2.100) 7.661 11.327 ( -12.651 0.000 -1.595) 12.751 11.531 ( 10.905 0.000 5.355) 12.149 11.806 ( -15.410 0.000 4.700) 16.111 13.242 ( 2.650 0.000 -9.402) 9.768 13.302 ( -2.879 0.000 -10.695) 11.076 13.509 ( 9.617 0.000 -13.698) 16.737 13.602 ( 0.838 0.000 -12.915) 12.942 13.668 ( 5.409 0.000 2.999) 6.185 13.832 ( -9.707 0.000 5.090) 10.960 14.249 ( 22.873 0.000 -7.259) 23.997 14.585 ( 17.376 0.000 9.298) 19.708 14.734 ( -21.305 0.000 -8.343) 22.880 14.865 ( -7.592 0.000 4.797) 8.981 14.931 ( 0.921 0.000 -7.424) 7.481 14.998 ( -2.332 0.000 -5.699) 6.158 15.236 ( 0.312 0.000 3.085) 3.100 15.328 ( -4.689 0.000 16.292) 16.953 15.816 ( 15.375 0.000 -10.074) 18.381 16.201 ( -17.157 0.000 -11.179) 20.477 16.583 ( 28.966 0.000 13.650) 32.021 17.254 ( -31.282 0.000 13.585) 34.105 17.414 ( 26.883 0.000 -1.084) 26.904 17.889 ( -4.279 0.000 -1.289) 4.469 18.246 ( 0.529 0.000 2.768) 2.818 18.536 ( -3.888 0.000 11.919) 12.537 18.675 ( -3.660 0.000 8.852) 9.579 18.751 ( -11.995 0.000 6.689) 13.734 19.187 ( 5.323 0.000 1.554) 5.545 19.294 ( -4.831 0.000 1.154) 4.967 21.251 ( 10.977 0.000 -3.574) 11.544 21.258 ( 12.165 0.000 -8.770) 14.997 21.432 ( -6.413 0.000 -3.985) 7.550 21.509 ( -11.565 0.000 -9.333) 14.861 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.000 23.744 24.270) 33.953 1.097 ( 0.000 32.841 20.841) 38.896 1.847 ( 0.000 42.582 43.693) 61.011 2.987 ( 0.000 0.898 3.113) 3.240 3.384 ( 0.000 -2.713 -8.864) 9.269 3.473 ( 0.000 -6.548 0.677) 6.583 3.726 ( 0.000 -0.905 -0.535) 1.051 4.078 ( 0.000 1.548 -3.583) 3.903 4.081 ( 0.000 -1.408 -1.819) 2.300 4.262 ( 0.000 -3.696 -4.609) 5.908 4.775 ( 0.000 -4.401 -11.974) 12.757 4.861 ( 0.000 -4.473 -1.785) 4.816 6.407 ( 0.000 16.112 -0.106) 16.112 7.135 ( 0.000 -2.337 18.665) 18.811 7.335 ( 0.000 2.195 7.022) 7.357 7.895 ( 0.000 -3.562 -0.956) 3.688 8.008 ( 0.000 -8.014 4.639) 9.259 8.446 ( 0.000 0.119 -2.749) 2.751 8.560 ( 0.000 3.180 -6.926) 7.621 9.717 ( 0.000 0.044 1.054) 1.055 10.115 ( 0.000 -13.370 -8.397) 15.789 10.354 ( 0.000 9.263 -5.333) 10.688 10.681 ( 0.000 0.283 -8.663) 8.668 10.796 ( 0.000 11.664 0.732) 11.687 10.989 ( 0.000 -18.536 -3.931) 18.948 11.249 ( 0.000 -8.004 5.695) 9.823 11.409 ( 0.000 -4.825 9.915) 11.026 11.844 ( 0.000 6.232 0.941) 6.303 12.241 ( 0.000 9.742 7.398) 12.233 12.362 ( 0.000 7.551 7.835) 10.881 12.871 ( 0.000 4.820 1.250) 4.979 13.025 ( 0.000 -3.685 1.519) 3.986 13.085 ( 0.000 -0.343 -6.326) 6.335 13.182 ( 0.000 -7.635 9.712) 12.354 13.454 ( 0.000 -1.407 3.817) 4.068 13.559 ( 0.000 5.284 7.340) 9.044 13.869 ( 0.000 -7.680 -5.309) 9.336 14.091 ( 0.000 1.020 -4.589) 4.701 14.114 ( 0.000 5.109 -7.877) 9.389 14.426 ( 0.000 -1.006 6.946) 7.019 14.509 ( 0.000 15.827 -11.818) 19.753 14.632 ( 0.000 -1.257 11.601) 11.669 15.404 ( 0.000 6.521 6.276) 9.051 15.893 ( 0.000 1.226 -7.116) 7.221 15.998 ( 0.000 -3.316 -28.802) 28.992 16.344 ( 0.000 3.150 -10.310) 10.780 16.481 ( 0.000 2.793 -4.694) 5.462 17.200 ( 0.000 -5.668 10.742) 12.146 17.674 ( 0.000 -7.722 22.066) 23.378 18.107 ( 0.000 2.891 -3.199) 4.312 18.187 ( 0.000 -2.919 -18.473) 18.702 18.549 ( 0.000 -20.440 25.661) 32.807 18.657 ( 0.000 -13.565 -5.733) 14.727 18.743 ( 0.000 -8.155 -1.450) 8.283 19.431 ( 0.000 -5.832 -8.962) 10.693 19.550 ( 0.000 -19.860 2.841) 20.063 20.622 ( 0.000 24.971 10.614) 27.133 20.848 ( 0.000 16.044 2.926) 16.309 21.562 ( 0.000 1.873 1.574) 2.447 22.394 ( 0.000 2.501 -11.086) 11.364 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.11 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 18.659 19.544 19.276) 33.192 1.282 ( 21.134 17.884 19.659) 33.956 2.264 ( 32.472 34.498 30.818) 56.518 3.004 ( 1.584 -0.170 2.876) 3.288 3.402 ( 0.965 -3.023 -7.853) 8.470 3.441 ( -1.097 -5.251 -1.531) 5.579 3.712 ( -2.007 -2.179 -0.996) 3.126 4.018 ( -5.484 -3.969 -2.832) 7.338 4.078 ( 0.015 3.944 -1.574) 4.246 4.238 ( -2.323 -3.647 -5.263) 6.812 4.666 ( -9.843 -2.360 -10.318) 14.454 4.787 ( -6.862 -3.995 -1.246) 8.038 6.481 ( 6.466 18.506 -1.278) 19.645 6.932 ( -13.790 12.595 11.441) 21.902 7.185 ( 3.589 -0.770 18.491) 18.852 8.037 ( 10.279 -6.841 5.172) 13.387 8.298 ( 15.845 -13.264 6.778) 21.747 8.499 ( 1.458 -1.724 -4.697) 5.211 8.629 ( 8.755 3.621 -1.846) 9.652 9.686 ( -3.149 0.743 0.613) 3.293 10.082 ( -6.047 -6.525 -9.890) 13.303 10.162 ( -12.200 -0.164 -6.342) 13.751 10.725 ( 1.959 0.175 -4.944) 5.321 10.822 ( 1.901 6.183 -0.701) 6.506 11.033 ( -2.811 -5.802 -3.182) 7.190 11.127 ( -4.905 -11.306 0.291) 12.328 11.381 ( -3.208 -8.351 13.065) 15.834 11.758 ( -7.182 8.794 3.679) 11.935 12.249 ( -2.747 14.121 6.554) 15.808 12.383 ( 2.678 5.507 0.012) 6.124 12.894 ( 0.227 -2.196 0.157) 2.214 12.994 ( 5.333 3.955 -0.718) 6.678 13.141 ( 5.130 1.678 -4.464) 7.004 13.233 ( 3.650 -5.778 4.274) 8.060 13.465 ( 0.271 3.653 0.474) 3.694 13.683 ( 7.403 3.297 3.264) 8.736 13.902 ( 0.740 -6.504 -4.103) 7.725 14.143 ( 5.068 -2.307 -6.525) 8.578 14.237 ( 10.566 3.266 -4.309) 11.869 14.456 ( 1.328 -3.171 -2.794) 4.430 14.611 ( 9.177 9.546 -6.093) 14.577 14.739 ( 10.685 -2.779 17.447) 20.647 15.370 ( -2.119 10.359 5.702) 12.012 15.851 ( -2.616 -0.578 -5.126) 5.784 15.919 ( -8.194 -2.219 -23.527) 25.011 16.296 ( -12.093 0.950 -15.532) 19.707 16.476 ( 4.478 0.519 -4.170) 6.141 17.027 ( -4.109 -0.800 19.130) 19.582 17.795 ( -19.768 4.496 -14.942) 25.184 17.999 ( 19.898 -8.243 16.132) 26.909 18.310 ( 2.478 -1.962 -2.514) 4.039 18.391 ( -3.530 -1.443 12.455) 13.025 18.698 ( -0.410 -19.620 -2.792) 19.822 18.983 ( 11.490 -25.541 2.378) 28.107 19.348 ( -8.560 -7.534 -6.122) 12.943 19.516 ( -3.505 -17.091 -0.753) 17.463 20.677 ( 5.599 22.970 8.830) 25.238 20.883 ( 3.477 15.881 0.925) 16.283 21.569 ( 0.621 2.079 0.820) 2.320 22.243 ( -10.740 6.284 -7.621) 14.592 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.22 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 22.848 13.949 8.670) 28.139 1.859 ( 29.406 -0.056 14.262) 32.682 2.913 ( 24.466 20.947 16.692) 36.277 3.049 ( 2.516 -2.538 2.008) 4.099 3.393 ( -0.464 -2.106 -4.526) 5.014 3.467 ( 0.646 -3.847 -5.546) 6.781 3.674 ( 0.941 -5.825 -1.836) 6.179 3.878 ( -7.127 -4.399 -2.387) 8.709 4.069 ( -1.315 3.679 0.509) 3.940 4.166 ( -4.532 -3.609 -6.326) 8.578 4.410 ( -13.231 2.648 -7.097) 15.246 4.596 ( -10.548 -2.640 0.929) 10.913 6.627 ( 7.235 23.395 1.246) 24.520 6.942 ( 12.748 3.917 5.207) 14.317 7.298 ( 6.502 0.625 16.442) 17.692 8.279 ( 11.891 -7.901 5.091) 15.157 8.510 ( 0.088 -1.818 -1.400) 2.296 8.558 ( 9.390 -3.542 8.987) 13.472 8.979 ( 24.921 -2.056 1.631) 25.058 9.571 ( -9.449 -0.550 -1.080) 9.526 9.772 ( -15.173 5.257 -0.386) 16.063 10.053 ( -3.292 -6.999 -11.407) 13.782 10.694 ( -15.366 -1.104 -6.521) 16.729 10.763 ( 1.571 1.529 -2.712) 3.487 10.912 ( -2.729 -2.995 0.505) 4.083 11.121 ( 0.765 -7.872 2.249) 8.222 11.294 ( -5.715 -6.160 9.354) 12.574 11.588 ( -7.903 6.596 2.352) 10.559 12.090 ( -10.920 17.272 7.673) 21.828 12.412 ( -4.075 3.962 -2.314) 6.137 12.942 ( 5.630 -4.388 -5.958) 9.298 13.180 ( 9.920 4.719 -4.654) 11.931 13.272 ( 5.471 1.818 -4.824) 7.517 13.350 ( 7.322 -1.204 -5.069) 8.986 13.480 ( 2.915 0.532 -2.763) 4.051 13.720 ( -2.468 -4.762 -6.302) 8.275 13.997 ( 9.184 6.701 6.170) 12.934 14.204 ( 0.806 2.302 5.383) 5.910 14.501 ( 5.070 -4.939 -5.378) 8.889 14.549 ( 14.241 -1.812 -6.022) 15.568 14.844 ( 13.193 4.847 -4.307) 14.700 15.041 ( 15.708 -4.528 13.762) 21.369 15.396 ( 6.741 15.075 9.385) 18.994 15.685 ( -12.563 -2.786 -13.476) 18.633 15.784 ( -8.454 -1.314 0.268) 8.559 15.903 ( -17.098 1.399 -13.721) 21.967 16.604 ( 6.603 -7.312 -2.004) 10.054 17.134 ( 9.528 3.907 7.168) 12.546 17.370 ( -17.137 9.301 -11.314) 22.543 18.211 ( -7.891 -0.616 4.876) 9.296 18.360 ( 3.881 1.722 8.940) 9.896 18.419 ( 9.727 -4.822 15.395) 18.838 18.690 ( 0.964 -25.836 0.629) 25.861 19.065 ( -15.838 -6.887 -3.860) 17.696 19.114 ( -0.149 -27.866 1.733) 27.920 19.376 ( -10.285 -12.366 -1.284) 16.135 20.857 ( 11.123 17.483 3.460) 21.008 20.993 ( 6.936 14.899 -3.020) 16.710 21.580 ( 0.176 2.718 -1.005) 2.903 22.028 ( -9.738 6.927 -7.925) 14.339 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 22.679 7.105 2.373) 23.884 2.426 ( 23.756 -6.523 8.384) 26.023 3.090 ( 0.721 -4.825 -0.244) 4.884 3.199 ( 3.228 7.082 1.969) 8.028 3.339 ( -3.509 4.139 2.500) 5.975 3.475 ( 1.995 -5.944 -10.128) 11.912 3.680 ( -4.615 -10.136 -2.863) 11.500 3.791 ( -2.554 -5.644 1.702) 6.424 4.004 ( -5.248 1.528 -2.427) 5.980 4.101 ( -0.036 1.692 -1.327) 2.150 4.169 ( -7.887 6.238 -4.785) 11.136 4.401 ( -7.028 -1.995 6.005) 9.456 6.823 ( 11.930 19.587 4.583) 23.388 7.332 ( 20.602 1.634 1.987) 20.762 7.416 ( 5.291 5.030 13.144) 15.035 8.475 ( -4.561 -3.182 0.272) 5.568 8.508 ( 9.407 -3.783 2.214) 10.378 8.780 ( 13.884 1.665 10.171) 17.291 9.247 ( -17.745 -0.857 2.228) 17.905 9.546 ( 15.044 -5.751 -1.999) 16.229 9.603 ( 5.796 0.863 1.733) 6.111 10.019 ( 2.945 1.342 -9.473) 10.011 10.331 ( -17.612 2.768 -15.206) 23.432 10.741 ( -5.231 -7.949 4.989) 10.744 10.901 ( 3.872 0.700 3.430) 5.219 11.096 ( -7.727 1.634 5.563) 9.660 11.203 ( 2.021 -8.456 2.818) 9.139 11.411 ( -11.207 2.787 -1.463) 11.641 11.842 ( -11.390 18.108 3.174) 21.626 12.181 ( -15.676 3.862 2.737) 16.375 13.100 ( 6.908 -7.056 -9.216) 13.508 13.304 ( -0.260 -5.828 -14.377) 15.516 13.366 ( 4.444 5.231 -3.761) 7.826 13.420 ( 3.961 4.530 -9.987) 11.659 13.706 ( 9.906 1.777 -1.555) 10.184 13.769 ( 13.321 -2.638 -0.816) 13.605 14.057 ( -3.358 -0.067 6.066) 6.934 14.349 ( 13.342 13.183 3.964) 19.170 14.595 ( 2.286 -12.690 -2.034) 13.053 14.786 ( 8.570 -2.702 -0.533) 9.002 15.083 ( 6.441 4.011 -5.060) 9.120 15.307 ( 5.538 9.157 -2.476) 10.984 15.315 ( -18.180 -0.939 -9.122) 20.362 15.370 ( -13.856 -6.497 -2.137) 15.452 15.705 ( 7.452 7.172 9.530) 14.063 15.950 ( 20.818 5.859 11.114) 24.315 16.714 ( -6.361 -4.459 -7.467) 10.776 16.980 ( 1.782 5.628 -8.466) 10.321 17.561 ( 20.269 3.341 5.652) 21.306 17.863 ( -23.185 2.741 9.133) 25.069 18.430 ( 3.014 -1.145 9.934) 10.445 18.545 ( -9.701 -8.874 5.814) 14.376 18.638 ( -7.181 -7.150 7.845) 12.815 18.807 ( 3.072 -23.014 -0.326) 23.221 19.026 ( -12.388 -16.818 2.257) 21.009 19.155 ( -6.304 -16.331 1.292) 17.554 21.108 ( 12.097 12.014 -1.661) 17.130 21.167 ( 9.566 13.084 -6.217) 17.360 21.565 ( -1.850 3.852 -2.967) 5.203 21.826 ( -9.857 7.180 -8.935) 15.117 ======================= Grid point 76 (30/120) ======================= q-point: ( 0.44 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 19.093 2.449 -0.288) 19.252 2.811 ( 10.447 -8.425 3.710) 13.924 3.011 ( -8.003 0.465 -3.303) 8.670 3.089 ( -7.122 -3.539 0.302) 7.959 3.403 ( 5.709 1.820 -2.019) 6.323 3.492 ( -1.651 -3.631 -7.334) 8.348 3.609 ( -0.513 -7.570 -0.917) 7.642 3.675 ( -6.026 -5.109 0.321) 7.907 3.916 ( -1.372 3.664 -5.074) 6.408 3.972 ( -6.119 3.210 -5.522) 8.845 4.216 ( 4.413 -0.038 7.063) 8.329 4.298 ( -3.776 -2.507 8.864) 9.955 7.105 ( 14.084 15.739 6.568) 22.118 7.351 ( -7.846 10.691 10.269) 16.773 7.852 ( 23.624 0.095 1.730) 23.687 8.272 ( -15.379 -2.473 2.666) 15.803 8.685 ( 8.694 -1.948 2.477) 9.248 8.908 ( -12.835 -1.339 4.743) 13.748 9.149 ( 18.237 4.269 5.798) 19.607 9.451 ( -8.986 2.064 0.892) 9.263 9.823 ( 3.734 -7.577 -9.225) 12.508 9.990 ( -13.472 0.303 -15.388) 20.454 10.395 ( 26.332 2.670 -6.394) 27.228 10.675 ( -0.549 -5.050 6.493) 8.244 10.848 ( -6.509 0.276 10.792) 12.606 11.052 ( -21.150 4.834 -2.179) 21.805 11.102 ( 7.692 0.868 -1.503) 7.885 11.231 ( -2.711 -7.723 0.671) 8.213 11.707 ( 0.427 15.258 2.586) 15.481 11.861 ( -12.955 6.347 4.020) 14.976 13.193 ( 3.074 -7.579 -9.393) 12.455 13.256 ( -2.960 -7.639 -11.202) 13.878 13.453 ( 3.629 1.448 -5.662) 6.879 13.494 ( 0.743 1.092 -7.889) 7.999 13.856 ( 7.181 8.916 -0.098) 11.448 13.972 ( -3.368 7.846 1.595) 8.686 14.200 ( 21.829 -2.648 -3.563) 22.276 14.581 ( -6.730 -12.649 -2.890) 14.617 14.600 ( 8.187 -0.496 -1.109) 8.277 14.744 ( -12.428 -1.306 -5.053) 13.479 15.002 ( -3.083 -2.624 -6.742) 7.864 15.073 ( -6.974 1.452 -0.598) 7.148 15.230 ( 5.554 2.820 7.099) 9.444 15.377 ( -4.700 7.840 11.649) 14.807 15.923 ( 16.363 9.642 -9.040) 21.034 16.311 ( -17.004 10.160 -10.747) 22.536 16.605 ( 29.908 2.524 14.706) 33.423 17.270 ( -25.734 1.253 11.624) 28.266 17.394 ( 21.328 -1.852 0.111) 21.409 17.895 ( -7.458 0.447 -0.976) 7.535 18.152 ( 1.285 -9.120 3.188) 9.746 18.450 ( -8.286 -9.049 9.043) 15.242 18.623 ( -0.263 -5.655 8.842) 10.499 18.692 ( -9.102 -5.292 6.160) 12.199 18.953 ( 5.418 -20.846 3.300) 21.789 19.060 ( -4.590 -21.027 2.614) 21.681 21.335 ( 9.298 8.116 -4.061) 12.993 21.380 ( 10.382 10.479 -8.116) 16.836 21.494 ( -4.893 5.832 -4.260) 8.724 21.612 ( -10.604 8.620 -8.995) 16.360 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 0.000 31.455 7.615) 32.364 1.781 ( 0.000 34.895 10.788) 36.524 2.691 ( 0.000 39.874 23.345) 46.205 2.928 ( 0.000 -8.905 0.890) 8.950 3.281 ( 0.000 -13.112 1.232) 13.169 3.374 ( 0.000 3.091 -6.421) 7.126 3.706 ( 0.000 -0.992 -1.075) 1.463 3.967 ( 0.000 -7.471 -0.831) 7.517 4.163 ( 0.000 0.679 -5.600) 5.641 4.223 ( 0.000 4.255 -3.089) 5.258 4.641 ( 0.000 -9.309 -9.036) 12.974 4.739 ( 0.000 -7.762 -2.007) 8.018 6.634 ( 0.000 8.338 9.193) 12.411 7.062 ( 0.000 -5.142 16.998) 17.759 7.400 ( 0.000 4.403 8.395) 9.480 7.843 ( 0.000 -9.040 7.293) 11.615 7.972 ( 0.000 10.524 -9.610) 14.252 8.440 ( 0.000 -1.058 -4.610) 4.730 8.656 ( 0.000 6.834 -7.610) 10.228 9.731 ( 0.000 -19.129 -3.987) 19.540 9.764 ( 0.000 -0.073 0.943) 0.946 10.537 ( 0.000 7.603 -9.057) 11.825 10.563 ( 0.000 -17.678 -4.897) 18.344 10.725 ( 0.000 -2.602 -8.390) 8.784 11.101 ( 0.000 14.478 0.465) 14.485 11.183 ( 0.000 6.211 6.601) 9.064 11.303 ( 0.000 -4.690 15.754) 16.437 11.965 ( 0.000 3.173 -6.874) 7.571 12.349 ( 0.000 4.879 0.695) 4.928 12.633 ( 0.000 15.544 13.172) 20.375 12.839 ( 0.000 -7.617 1.977) 7.869 13.003 ( 0.000 1.375 4.720) 4.916 13.083 ( 0.000 0.278 -5.041) 5.049 13.123 ( 0.000 -0.234 5.599) 5.604 13.422 ( 0.000 -1.626 2.462) 2.951 13.667 ( 0.000 -11.241 -4.807) 12.226 13.699 ( 0.000 8.690 5.962) 10.539 14.095 ( 0.000 -0.780 -9.010) 9.044 14.160 ( 0.000 -0.327 -8.343) 8.349 14.316 ( 0.000 -9.212 7.908) 12.141 14.631 ( 0.000 1.620 17.028) 17.105 14.707 ( 0.000 4.400 5.617) 7.135 15.669 ( 0.000 20.268 2.682) 20.445 15.898 ( 0.000 -0.137 -15.040) 15.041 15.913 ( 0.000 -4.893 -29.389) 29.794 16.427 ( 0.000 4.971 -8.554) 9.893 16.537 ( 0.000 3.071 1.931) 3.627 17.110 ( 0.000 -2.049 6.972) 7.267 17.434 ( 0.000 -17.933 17.786) 25.257 17.873 ( 0.000 -26.708 2.127) 26.792 18.201 ( 0.000 6.628 -0.826) 6.679 18.394 ( 0.000 0.810 12.058) 12.085 18.489 ( 0.000 -0.087 -19.656) 19.656 18.663 ( 0.000 -3.017 -1.879) 3.554 19.196 ( 0.000 -15.308 6.201) 16.517 19.282 ( 0.000 -9.001 -10.245) 13.638 21.125 ( 0.000 25.541 5.596) 26.147 21.178 ( 0.000 16.022 2.184) 16.170 21.594 ( 0.000 0.770 1.372) 1.573 22.299 ( 0.000 -10.705 -5.352) 11.969 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.11 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 10.183 26.373 8.463) 29.510 1.835 ( 6.608 30.713 12.478) 33.803 2.913 ( 8.066 7.915 6.209) 12.894 2.965 ( 12.143 14.631 11.008) 21.970 3.263 ( -1.197 -12.984 1.290) 13.102 3.370 ( -0.262 0.772 -7.416) 7.461 3.676 ( -3.061 -1.230 -1.042) 3.459 3.907 ( -5.217 -6.828 -0.375) 8.601 4.155 ( -0.850 -0.309 -5.946) 6.015 4.206 ( -1.464 5.606 -2.304) 6.236 4.585 ( -5.253 -6.125 -7.947) 11.325 4.681 ( -5.436 -6.720 -1.730) 8.815 6.717 ( 7.999 7.728 7.314) 13.311 7.106 ( 4.662 -3.198 13.953) 15.055 7.345 ( -4.077 20.009 4.336) 20.875 7.957 ( 3.064 1.683 1.375) 3.756 8.065 ( 17.875 -10.720 8.787) 22.620 8.457 ( 0.533 -2.811 -4.403) 5.251 8.719 ( 6.305 5.992 -3.605) 9.415 9.724 ( -2.043 -2.838 -0.895) 3.610 9.765 ( 0.816 -15.445 -3.063) 15.767 10.183 ( -18.392 -2.418 -5.050) 19.225 10.691 ( -1.752 -2.052 -7.967) 8.411 10.813 ( 6.333 -10.044 -5.152) 12.944 11.071 ( -4.448 4.051 5.859) 8.397 11.104 ( -4.481 16.581 -3.039) 17.442 11.252 ( -3.809 -4.589 14.410) 15.595 11.877 ( -8.425 2.398 -0.124) 8.760 12.411 ( 5.190 5.733 -5.020) 9.219 12.629 ( -1.660 14.727 7.527) 16.622 12.817 ( -0.995 -4.357 -0.796) 4.539 13.036 ( 4.651 0.669 -2.707) 5.423 13.146 ( 3.668 -3.179 5.257) 7.155 13.219 ( 9.203 4.130 0.576) 10.104 13.515 ( 4.548 0.645 -4.644) 6.532 13.623 ( -0.754 -6.942 -7.524) 10.265 13.864 ( 11.161 3.104 10.682) 15.758 14.111 ( 2.835 -1.580 -6.160) 6.963 14.251 ( 7.274 -2.992 -2.272) 8.187 14.380 ( 5.319 -5.306 0.296) 7.519 14.688 ( 6.876 0.028 17.507) 18.809 14.748 ( 4.780 3.768 6.487) 8.896 15.695 ( 2.319 20.524 3.191) 20.899 15.828 ( -4.508 -1.604 -20.511) 21.061 15.873 ( -5.784 -0.187 -16.551) 17.534 16.300 ( -11.110 -0.618 -9.423) 14.581 16.447 ( -8.716 -3.231 -2.079) 9.526 17.084 ( 6.243 7.499 14.675) 17.623 17.697 ( 13.175 -24.428 7.017) 28.628 17.870 ( -2.706 -5.113 -3.060) 6.544 18.065 ( -4.460 -9.895 4.408) 11.714 18.394 ( -0.138 3.647 8.337) 9.101 18.528 ( 0.683 -5.033 -8.751) 10.118 18.645 ( -2.441 -4.898 -0.746) 5.523 19.123 ( -7.274 -14.204 -0.196) 15.960 19.244 ( -3.616 -10.660 -3.398) 11.759 21.153 ( 2.828 24.502 4.101) 25.003 21.208 ( 2.914 15.626 0.677) 15.910 21.607 ( 1.146 1.121 0.637) 1.725 22.227 ( -6.067 -7.365 -5.755) 11.143 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.22 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 16.667 14.600 8.985) 23.910 2.068 ( 14.896 20.427 9.316) 26.943 2.951 ( 1.224 -7.919 0.773) 8.050 3.217 ( 1.282 -2.857 0.911) 3.261 3.321 ( 5.777 1.864 -1.518) 6.257 3.386 ( 4.186 -2.854 -1.696) 5.343 3.573 ( -6.652 -2.431 -1.705) 7.284 3.788 ( -5.136 -4.468 3.085) 7.473 4.133 ( -1.198 1.999 -6.001) 6.438 4.168 ( -1.845 6.099 -0.660) 6.406 4.438 ( -8.291 -0.167 -5.928) 10.194 4.526 ( -8.774 -4.463 -0.546) 9.858 6.972 ( 16.380 6.864 3.870) 18.177 7.239 ( 4.479 20.164 3.878) 21.016 7.305 ( 4.821 8.012 12.254) 15.414 8.161 ( 14.722 -2.136 7.935) 16.860 8.432 ( 5.268 -6.637 -3.833) 9.300 8.485 ( 11.784 -4.391 9.422) 15.714 8.952 ( 17.245 0.760 0.769) 17.279 9.593 ( -12.025 2.385 -1.550) 12.357 9.789 ( -3.083 -11.264 -2.867) 12.025 9.847 ( -7.148 -6.750 -0.872) 9.870 10.623 ( -5.146 -4.111 -3.350) 7.390 10.811 ( -6.478 -0.795 -7.857) 10.214 10.908 ( -6.020 2.244 0.112) 6.426 11.068 ( -1.485 5.692 2.397) 6.352 11.206 ( -0.976 -2.571 7.011) 7.531 11.661 ( -10.814 0.791 0.494) 10.854 12.431 ( -6.875 15.445 0.937) 16.932 12.535 ( -6.368 8.886 0.364) 10.938 12.849 ( 4.186 -4.732 -5.838) 8.602 13.133 ( 1.702 -4.814 -8.358) 9.794 13.318 ( 12.682 -1.272 -0.812) 12.771 13.391 ( 7.800 0.509 -1.812) 8.024 13.565 ( 1.788 8.806 -10.951) 14.165 13.649 ( 3.447 0.194 -0.987) 3.591 13.984 ( 0.977 -4.107 1.315) 4.422 14.323 ( 13.808 1.786 11.577) 18.108 14.367 ( 3.897 -4.571 6.351) 8.741 14.522 ( 7.929 -1.730 -5.826) 9.990 14.891 ( 11.280 0.021 -0.662) 11.299 15.007 ( 19.693 0.742 10.119) 22.153 15.622 ( -12.518 1.519 -15.161) 19.720 15.754 ( 0.406 2.571 1.264) 2.894 15.776 ( -9.485 9.729 -2.573) 13.829 15.970 ( -6.952 11.507 -6.213) 14.810 16.407 ( 3.214 -12.137 -1.943) 12.705 17.279 ( 7.732 9.991 5.090) 13.620 17.579 ( -11.660 11.360 -5.806) 17.284 17.968 ( 7.208 -31.461 4.777) 32.628 18.169 ( 5.978 -14.692 11.413) 19.541 18.346 ( -3.160 0.500 1.466) 3.519 18.498 ( -5.982 6.056 3.970) 9.392 18.568 ( -1.058 -23.954 4.414) 24.380 18.880 ( -15.916 -11.255 -4.559) 20.020 19.126 ( -7.984 -12.324 2.244) 14.855 21.247 ( 6.067 20.787 0.225) 21.656 21.298 ( 5.569 14.611 -2.370) 15.815 21.634 ( 1.256 2.152 -1.193) 2.762 22.082 ( -7.339 -2.339 -7.082) 10.464 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 17.246 7.060 4.600) 19.195 2.408 ( 16.305 7.767 6.794) 19.296 2.976 ( 0.780 -6.984 -0.449) 7.042 3.242 ( 2.051 -8.882 -2.829) 9.545 3.288 ( -7.567 -2.878 -6.437) 10.343 3.439 ( -1.102 -2.788 1.216) 3.235 3.456 ( -2.057 -6.275 -4.460) 7.968 3.694 ( -4.775 -4.853 6.116) 9.152 4.068 ( -4.461 5.118 -3.451) 7.616 4.157 ( -1.502 4.060 -0.107) 4.330 4.266 ( -6.557 3.196 -4.177) 8.405 4.354 ( -6.844 -2.761 1.796) 7.595 7.319 ( 7.794 28.536 3.820) 29.827 7.385 ( 19.851 3.804 3.917) 20.588 7.502 ( 10.197 2.900 13.844) 17.437 8.394 ( -4.508 -5.236 0.283) 6.915 8.466 ( 11.809 0.574 3.944) 12.463 8.823 ( 17.790 1.264 7.113) 19.200 9.251 ( -17.787 1.730 0.408) 17.875 9.372 ( 17.465 -7.551 -1.099) 19.059 9.613 ( -6.857 -2.578 2.244) 7.661 9.971 ( 14.052 -8.189 -3.337) 16.602 10.446 ( -13.659 8.033 -10.138) 18.811 10.615 ( -6.237 -2.596 -3.721) 7.713 10.902 ( 2.333 -1.905 1.747) 3.482 11.046 ( -1.033 -5.428 5.386) 7.717 11.131 ( -5.987 1.483 1.982) 6.479 11.443 ( -11.226 -0.012 -3.993) 11.915 12.223 ( -10.474 19.533 1.350) 22.205 12.307 ( -13.830 9.055 2.360) 16.698 12.942 ( 2.904 -8.971 -6.823) 11.639 13.102 ( -3.010 -10.918 -9.852) 15.011 13.499 ( 5.403 3.775 -9.851) 11.853 13.614 ( 2.348 13.177 -7.276) 15.234 13.686 ( 18.075 -1.148 -1.948) 18.216 13.768 ( 7.705 2.297 1.578) 8.194 14.031 ( 5.568 -2.357 5.341) 8.067 14.353 ( -2.011 -10.329 1.384) 10.614 14.575 ( 3.426 2.962 -2.859) 5.356 14.717 ( 11.990 -2.320 9.701) 15.597 15.068 ( 1.703 -1.435 -10.479) 10.713 15.259 ( -6.858 -2.317 -2.126) 7.545 15.373 ( -16.881 4.745 -4.596) 18.128 15.538 ( 9.191 10.457 -3.650) 14.392 15.806 ( 8.714 3.891 4.815) 10.689 16.180 ( 19.305 19.030 10.962) 29.240 16.563 ( 10.610 -10.630 -3.153) 15.346 17.155 ( -10.910 11.701 -10.795) 19.299 17.651 ( 12.238 4.386 7.876) 15.200 17.926 ( -20.791 2.856 8.170) 22.520 18.123 ( 4.072 -30.769 2.631) 31.149 18.357 ( -5.675 -13.029 4.911) 15.036 18.444 ( -19.220 -12.108 -3.981) 23.063 18.456 ( 6.508 -11.111 9.998) 16.303 18.609 ( -0.749 -12.740 8.274) 15.210 18.909 ( -12.401 -10.995 3.656) 16.972 21.392 ( 7.290 15.571 -3.362) 17.519 21.433 ( 7.243 12.570 -5.271) 15.435 21.649 ( -0.070 3.944 -3.248) 5.110 21.927 ( -7.525 1.848 -8.146) 11.243 ======================= Grid point 85 (35/120) ======================= q-point: ( 0.44 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 13.218 1.357 1.881) 13.420 2.696 ( 9.923 -0.502 3.551) 10.552 2.960 ( -1.995 -4.380 -3.389) 5.886 3.065 ( -11.549 -1.355 -4.567) 12.493 3.306 ( 3.728 -7.922 -4.666) 9.921 3.385 ( -3.321 -6.678 -0.200) 7.461 3.484 ( 3.572 -5.259 0.132) 6.359 3.584 ( -5.437 -5.265 4.552) 8.832 3.998 ( -1.015 5.108 -3.379) 6.208 4.049 ( -5.492 4.572 -2.802) 7.676 4.219 ( 0.037 -0.154 1.895) 1.902 4.251 ( -3.144 -2.183 2.961) 4.840 7.494 ( 8.273 21.854 6.946) 24.378 7.594 ( 0.277 12.402 11.394) 16.844 7.855 ( 20.378 0.191 4.959) 20.973 8.213 ( -13.069 -3.517 4.347) 14.215 8.668 ( 9.117 1.198 2.123) 9.437 8.901 ( -13.572 1.669 2.717) 13.942 9.208 ( 14.563 -1.969 3.073) 15.014 9.417 ( -6.968 -6.623 -0.833) 9.649 9.712 ( 13.765 0.034 -4.004) 14.336 10.081 ( -19.417 9.984 -12.977) 25.399 10.416 ( 23.415 -3.138 -8.008) 24.945 10.597 ( 2.578 -1.885 0.280) 3.206 10.867 ( -5.519 1.357 9.516) 11.084 10.999 ( -11.079 -7.853 -4.236) 14.225 11.051 ( 3.644 -6.711 0.258) 7.640 11.176 ( -10.406 0.951 1.580) 10.568 12.055 ( -4.598 18.145 1.019) 18.746 12.072 ( -6.644 15.490 2.563) 17.048 12.978 ( 1.844 -12.984 -5.659) 14.284 13.036 ( -3.327 -12.919 -7.264) 15.190 13.585 ( 3.077 9.098 -8.570) 12.872 13.629 ( -0.945 11.086 -7.072) 13.183 13.956 ( 9.233 1.192 2.503) 9.640 14.027 ( 9.850 1.263 -1.020) 9.983 14.189 ( 6.344 -2.783 4.450) 8.233 14.360 ( 5.270 -7.823 -6.163) 11.268 14.485 ( -6.455 -8.943 -4.491) 11.908 14.779 ( -19.386 -8.641 -6.085) 22.080 14.946 ( 6.703 10.216 -3.773) 12.788 15.097 ( -6.517 3.834 -6.602) 10.038 15.341 ( 8.669 5.397 9.861) 14.195 15.535 ( -7.408 4.484 10.992) 13.993 16.173 ( 20.263 16.123 -10.676) 28.009 16.549 ( -13.935 13.115 -11.261) 22.203 16.709 ( 29.876 9.064 16.462) 35.294 17.248 ( 10.280 -5.012 -0.271) 11.440 17.395 ( -17.175 3.472 10.505) 20.430 17.852 ( -25.758 -8.859 -1.873) 27.303 17.934 ( 11.061 -12.033 5.365) 17.203 18.157 ( -8.662 -20.321 2.580) 22.240 18.386 ( 8.565 -17.684 3.887) 20.030 18.566 ( 0.970 -9.231 8.766) 12.767 18.602 ( -2.017 -8.494 8.822) 12.412 18.651 ( -8.820 -15.694 6.713) 19.213 21.530 ( 5.575 10.671 -4.897) 12.998 21.587 ( 5.551 9.169 -6.865) 12.728 21.629 ( -0.214 7.015 -5.188) 8.727 21.766 ( -7.873 5.752 -8.243) 12.768 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 0.000 27.412 1.678) 27.463 2.413 ( 0.000 27.667 5.123) 28.137 2.642 ( 0.000 -18.165 0.898) 18.187 2.926 ( 0.000 -20.837 4.054) 21.228 3.321 ( 0.000 19.535 3.376) 19.824 3.464 ( 0.000 2.920 -6.640) 7.254 3.700 ( 0.000 1.387 2.522) 2.878 3.806 ( 0.000 -8.282 2.794) 8.741 4.197 ( 0.000 6.423 -5.660) 8.561 4.380 ( 0.000 9.431 -2.399) 9.731 4.414 ( 0.000 -13.252 -5.134) 14.212 4.568 ( 0.000 -9.442 -2.279) 9.713 6.785 ( 0.000 7.694 12.548) 14.719 6.937 ( 0.000 -7.440 14.876) 16.633 7.509 ( 0.000 6.845 8.761) 11.118 7.665 ( 0.000 -8.816 8.318) 12.121 8.217 ( 0.000 12.074 -7.722) 14.332 8.386 ( 0.000 -5.079 -6.311) 8.100 8.855 ( 0.000 14.638 -6.340) 15.952 9.245 ( 0.000 -24.237 -3.742) 24.524 9.917 ( 0.000 11.524 1.144) 11.580 10.203 ( 0.000 -17.219 -0.825) 17.239 10.641 ( 0.000 3.581 -13.017) 13.501 10.694 ( 0.000 -1.962 -12.839) 12.988 11.179 ( 0.000 2.467 15.382) 15.579 11.230 ( 0.000 -2.956 16.674) 16.934 11.581 ( 0.000 22.059 -7.531) 23.309 11.908 ( 0.000 -9.856 -8.964) 13.322 12.474 ( 0.000 7.909 -0.020) 7.909 12.655 ( 0.000 -10.160 -0.148) 10.162 12.891 ( 0.000 9.663 13.919) 16.944 13.000 ( 0.000 -2.222 12.017) 12.221 13.104 ( 0.000 1.948 -3.242) 3.782 13.131 ( 0.000 0.007 0.343) 0.343 13.405 ( 0.000 0.530 0.166) 0.556 13.476 ( 0.000 -7.223 -3.590) 8.066 13.887 ( 0.000 10.302 5.899) 11.871 14.080 ( 0.000 0.139 -10.334) 10.335 14.101 ( 0.000 -11.193 12.174) 16.538 14.118 ( 0.000 -3.498 -13.245) 13.699 14.688 ( 0.000 3.439 18.855) 19.166 14.735 ( 0.000 -0.883 14.965) 14.991 15.823 ( 0.000 -1.172 -22.014) 22.045 15.833 ( 0.000 -2.599 -27.643) 27.764 16.249 ( 0.000 32.271 2.758) 32.389 16.522 ( 0.000 4.258 -6.662) 7.906 16.573 ( 0.000 -0.313 -1.726) 1.755 16.918 ( 0.000 -33.380 7.366) 34.184 17.165 ( 0.000 8.189 10.992) 13.707 17.420 ( 0.000 -17.616 12.702) 21.718 18.343 ( 0.000 7.157 -4.947) 8.700 18.462 ( 0.000 -4.380 -11.248) 12.070 18.486 ( 0.000 7.301 5.512) 9.148 18.615 ( 0.000 -3.859 -2.576) 4.640 19.008 ( 0.000 -1.889 0.783) 2.045 19.100 ( 0.000 -8.674 -8.447) 12.107 21.435 ( 0.000 10.112 1.604) 10.238 21.569 ( 0.000 -3.728 1.375) 3.974 21.606 ( 0.000 22.980 2.230) 23.088 22.012 ( 0.000 -18.117 -1.114) 18.151 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.11 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 4.146 25.496 1.532) 25.877 2.414 ( 1.061 26.457 6.977) 27.382 2.662 ( 1.894 -17.403 1.047) 17.537 2.919 ( -0.408 -21.440 4.668) 21.946 3.375 ( 3.302 10.901 -0.691) 11.411 3.426 ( -3.369 3.045 -7.486) 8.756 3.675 ( -2.564 1.870 2.148) 3.832 3.769 ( -3.065 -6.830 3.874) 8.430 4.214 ( 1.729 8.246 -5.104) 9.850 4.361 ( -1.952 8.742 -2.095) 9.199 4.420 ( 0.072 -10.529 -5.086) 11.693 4.531 ( -3.550 -8.401 -2.021) 9.342 6.858 ( 7.242 7.257 10.417) 14.616 6.999 ( 6.372 -6.814 12.923) 15.938 7.648 ( 11.944 11.195 7.735) 18.106 7.851 ( 16.228 -10.335 8.319) 20.961 8.148 ( -4.208 13.858 -2.919) 14.774 8.366 ( -1.791 -7.358 -4.552) 8.835 8.898 ( 4.410 13.575 -3.408) 14.674 9.274 ( 3.042 -23.875 -2.504) 24.198 9.867 ( -5.112 8.741 1.004) 10.175 10.055 ( -12.065 -9.423 -1.623) 15.394 10.659 ( -2.557 -0.591 -10.924) 11.235 10.684 ( 2.062 -3.373 -10.982) 11.672 11.121 ( -4.904 2.752 12.091) 13.335 11.177 ( -3.820 -3.005 14.117) 14.930 11.519 ( -6.177 20.587 -5.067) 22.083 11.821 ( -8.446 -9.021 -3.619) 12.877 12.528 ( 5.256 6.309 -4.932) 9.579 12.660 ( 2.228 -6.827 -3.537) 8.006 12.944 ( 1.187 11.755 9.472) 15.143 13.058 ( 6.609 1.164 -0.476) 6.728 13.087 ( -0.781 -1.516 1.246) 2.112 13.204 ( 1.579 -6.736 0.644) 6.949 13.510 ( 8.824 1.090 -5.876) 10.658 13.544 ( 8.573 -1.858 -3.961) 9.625 13.973 ( 4.714 6.850 12.224) 14.784 14.078 ( 2.142 -2.290 3.887) 4.994 14.167 ( 5.602 -2.942 -5.816) 8.594 14.233 ( 10.549 -7.847 -2.668) 13.416 14.739 ( 5.738 3.517 16.264) 17.601 14.780 ( 4.962 -0.299 13.448) 14.338 15.774 ( -3.686 -0.505 -21.275) 21.598 15.800 ( -3.693 -2.535 -20.756) 21.234 16.239 ( -3.942 17.210 1.946) 17.762 16.296 ( -15.846 0.931 -3.921) 16.351 16.439 ( -5.388 12.784 -1.684) 13.975 17.053 ( 6.923 -36.675 2.112) 37.382 17.300 ( 12.257 13.677 12.201) 22.049 17.593 ( 13.309 -15.735 11.703) 23.700 18.153 ( -13.797 9.118 -5.269) 17.357 18.341 ( -8.678 -9.874 -3.445) 13.589 18.522 ( -0.118 8.170 1.493) 8.306 18.662 ( 1.226 -2.473 -4.578) 5.346 18.930 ( -7.304 -1.482 1.110) 7.535 19.046 ( -5.227 -9.519 -4.080) 11.601 21.460 ( 2.298 9.738 0.468) 10.017 21.577 ( 0.843 2.634 -0.109) 2.768 21.623 ( 1.568 15.733 1.414) 15.874 21.989 ( -1.965 -16.201 -2.284) 16.479 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.22 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 7.183 19.630 2.012) 21.000 2.487 ( 5.824 19.596 6.622) 21.489 2.719 ( 3.538 -13.938 1.829) 14.496 2.928 ( 1.558 -19.376 6.399) 20.465 3.340 ( -4.216 1.286 -9.366) 10.351 3.383 ( -3.098 -1.922 -7.094) 7.976 3.598 ( -4.437 3.985 2.491) 6.463 3.693 ( -4.181 -5.274 5.087) 8.437 4.254 ( 0.931 8.469 -4.215) 9.506 4.297 ( -3.900 6.757 -1.146) 7.886 4.392 ( -3.150 -4.784 -4.699) 7.409 4.423 ( -6.550 -6.001 -1.273) 8.974 7.092 ( 14.969 6.080 7.528) 17.824 7.206 ( 13.051 -5.190 11.117) 17.912 7.841 ( 2.718 25.759 -0.172) 25.903 8.202 ( 14.471 -0.434 4.368) 15.123 8.243 ( 10.227 -7.124 3.861) 13.048 8.371 ( 9.659 -7.452 6.866) 13.999 9.059 ( 11.585 11.102 0.481) 16.053 9.389 ( 8.317 -20.988 -0.283) 22.577 9.681 ( -13.146 4.464 0.161) 13.884 9.773 ( -13.463 -4.432 0.554) 14.184 10.601 ( -2.598 2.121 -8.178) 8.839 10.695 ( -0.826 -6.918 -8.387) 10.904 11.000 ( -6.614 5.267 5.521) 10.098 11.097 ( -4.732 -4.245 8.210) 10.383 11.360 ( -7.332 15.256 -2.664) 17.134 11.600 ( -11.247 -7.748 -2.323) 13.854 12.628 ( 1.360 6.522 -5.558) 8.676 12.716 ( 0.225 0.050 -4.643) 4.649 12.820 ( -8.108 8.400 0.240) 11.677 13.014 ( -7.223 -8.090 -5.562) 12.189 13.303 ( 13.665 -0.262 -1.011) 13.705 13.325 ( 12.453 -3.064 -1.261) 12.886 13.678 ( 4.332 2.767 -5.823) 7.767 13.718 ( 7.754 0.611 -8.211) 11.310 13.988 ( 0.697 7.703 3.832) 8.632 14.182 ( 3.596 -9.351 2.351) 10.291 14.384 ( 13.853 1.596 12.769) 18.908 14.457 ( 8.458 -4.893 5.111) 11.027 14.926 ( 11.349 3.739 2.123) 12.136 14.996 ( 15.246 -2.480 7.478) 17.162 15.664 ( -7.623 2.917 -11.705) 14.269 15.720 ( -2.393 -2.584 -7.513) 8.297 15.932 ( -14.808 8.276 -5.721) 17.903 16.144 ( -1.422 -12.283 -3.818) 12.941 16.484 ( 6.903 33.010 2.538) 33.819 17.179 ( 5.956 -34.520 1.352) 35.056 17.580 ( 10.956 10.983 8.217) 17.555 17.829 ( -2.735 4.629 0.131) 5.379 17.883 ( -0.107 -6.920 6.917) 9.785 18.145 ( -8.311 -16.861 0.582) 18.807 18.452 ( -7.963 6.646 0.154) 10.373 18.596 ( -8.178 -3.629 -2.979) 9.430 18.724 ( -10.882 2.662 3.400) 11.707 18.898 ( -8.241 -10.980 3.627) 14.200 21.527 ( 4.033 8.593 -2.162) 9.735 21.609 ( 2.226 7.167 -3.100) 8.120 21.665 ( 2.254 8.683 -0.773) 9.004 21.939 ( -2.631 -11.718 -4.656) 12.881 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 9.620 11.360 1.491) 14.961 2.629 ( 7.196 9.030 2.442) 11.802 2.810 ( 4.622 -7.183 3.744) 9.326 2.971 ( 1.640 -14.585 5.575) 15.700 3.268 ( -2.902 -0.909 -8.536) 9.061 3.291 ( -3.236 -4.201 -8.121) 9.699 3.497 ( -5.133 3.706 2.472) 6.797 3.591 ( -5.583 -5.451 4.950) 9.240 4.183 ( -5.287 5.790 -2.136) 8.126 4.243 ( -3.536 4.052 -1.761) 5.659 4.277 ( -6.575 -3.011 -0.362) 7.241 4.300 ( -5.024 -1.987 -3.710) 6.554 7.455 ( 18.749 3.634 7.268) 20.434 7.511 ( 15.161 -1.598 11.170) 18.899 7.870 ( 1.853 24.821 2.825) 25.050 8.234 ( -3.002 -12.298 1.568) 12.755 8.551 ( 13.383 7.824 5.030) 16.298 8.742 ( 17.330 -9.621 6.025) 20.717 9.327 ( -14.290 6.559 -1.525) 15.797 9.373 ( 10.526 6.078 -0.327) 12.159 9.519 ( -5.424 -4.251 3.257) 7.622 9.703 ( 19.918 -16.745 1.310) 26.055 10.565 ( -0.926 4.981 -6.278) 8.067 10.644 ( -5.887 -0.266 -10.311) 11.876 10.854 ( -4.676 1.986 0.395) 5.096 10.962 ( -7.847 -5.756 2.428) 10.030 11.221 ( -7.638 8.250 0.948) 11.283 11.383 ( -10.170 -6.456 -2.817) 12.371 12.512 ( -9.715 11.880 0.595) 15.359 12.587 ( -8.228 16.548 -2.315) 18.625 12.744 ( -3.160 -11.205 -2.692) 11.949 12.874 ( -5.529 -12.802 -6.776) 15.504 13.571 ( 11.825 3.965 -3.945) 13.081 13.641 ( 15.397 -2.625 -0.649) 15.632 13.779 ( 6.496 4.040 -5.617) 9.490 13.853 ( 6.994 -0.671 -10.516) 12.647 14.049 ( 4.725 8.203 0.218) 9.469 14.200 ( -1.946 -5.761 -1.392) 6.239 14.526 ( -1.884 -1.926 6.607) 7.136 14.609 ( 4.511 -8.831 10.128) 14.175 15.139 ( 7.348 6.709 -4.581) 10.954 15.234 ( 4.158 -2.251 -1.779) 5.052 15.479 ( -11.339 5.726 -3.082) 13.072 15.587 ( -4.929 -4.248 -0.736) 6.548 15.995 ( 20.256 15.282 -0.925) 25.391 16.308 ( 17.856 -15.138 -2.734) 23.568 16.680 ( 11.654 30.670 6.019) 33.357 17.314 ( 6.824 -26.214 2.066) 27.166 17.460 ( -14.589 8.854 -6.635) 18.310 17.796 ( -9.788 -14.849 -2.648) 17.981 17.933 ( 7.250 3.541 11.880) 14.361 18.048 ( -12.096 -5.248 11.731) 17.649 18.267 ( 0.519 -6.165 4.460) 7.627 18.286 ( -18.486 -6.210 -1.408) 19.552 18.579 ( -4.255 4.388 7.339) 9.551 18.713 ( -9.619 -8.797 5.628) 14.198 21.621 ( 4.811 6.514 -4.812) 9.419 21.663 ( 2.717 6.985 -5.408) 9.243 21.709 ( 1.724 5.735 -3.323) 6.849 21.881 ( -3.000 -6.420 -6.485) 9.606 ======================= Grid point 94 (40/120) ======================= q-point: ( 0.44 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 8.343 4.691 0.334) 9.578 2.769 ( 4.730 3.773 0.420) 6.065 2.858 ( 0.211 -4.985 -0.797) 5.052 2.944 ( -4.727 -8.930 -1.566) 10.225 3.250 ( 3.162 1.689 -3.412) 4.949 3.311 ( 2.421 -2.117 3.202) 4.538 3.391 ( -3.657 -1.470 -0.467) 3.969 3.465 ( -6.305 -6.264 4.237) 9.846 4.103 ( -1.348 5.143 -2.068) 5.705 4.141 ( -4.464 4.395 -2.129) 6.616 4.187 ( -1.665 -3.200 -0.148) 3.611 4.209 ( -3.305 -2.453 -1.546) 4.396 7.777 ( 10.161 6.265 10.729) 16.051 7.838 ( 14.819 1.079 7.526) 16.656 7.899 ( 0.486 13.863 8.162) 16.095 8.116 ( -9.077 -7.206 6.411) 13.244 8.768 ( 9.421 9.574 1.984) 13.578 9.000 ( -7.897 4.309 0.553) 9.014 9.024 ( 4.154 -9.403 2.120) 10.496 9.224 ( -10.669 -11.951 -0.077) 16.020 9.885 ( 23.882 15.304 -4.446) 28.711 10.209 ( 24.401 -15.289 -6.227) 29.461 10.345 ( -18.315 14.333 -12.431) 26.371 10.574 ( -6.215 -5.528 -9.599) 12.701 10.821 ( -0.476 -1.740 2.831) 3.357 10.893 ( 6.971 -5.828 3.193) 9.631 11.006 ( -12.190 5.077 2.191) 13.386 11.129 ( -13.636 -5.495 3.139) 15.033 12.379 ( -1.562 16.765 0.678) 16.851 12.433 ( -5.712 18.077 -0.967) 18.983 12.700 ( 0.288 -15.304 -1.817) 15.415 12.763 ( -4.955 -15.174 -3.879) 16.427 13.775 ( 7.239 9.473 -7.753) 14.221 13.837 ( 2.759 7.188 -6.235) 9.907 13.960 ( 4.741 -0.068 -4.646) 6.638 14.019 ( 9.515 -6.386 -4.722) 12.394 14.125 ( -0.358 3.720 -1.358) 3.976 14.241 ( 13.454 -6.771 -2.090) 15.206 14.367 ( -12.364 0.426 1.153) 12.425 14.528 ( -11.157 -13.214 -0.180) 17.295 15.224 ( 0.888 11.443 -3.291) 11.940 15.245 ( -1.809 11.607 -1.278) 11.817 15.373 ( 3.922 -2.165 4.154) 6.110 15.493 ( -5.472 -8.275 5.721) 11.452 16.533 ( 25.968 18.686 -7.465) 32.851 16.758 ( 16.152 1.863 -5.745) 17.244 16.964 ( 14.866 16.893 9.510) 24.429 17.162 ( -9.108 1.347 -6.801) 11.446 17.438 ( -4.267 -9.991 5.453) 12.156 17.541 ( -8.545 -20.823 -1.453) 22.555 17.611 ( -16.016 -3.701 10.446) 19.476 17.792 ( -17.246 -15.268 9.397) 24.876 18.251 ( 11.213 3.366 5.996) 13.153 18.383 ( 6.131 -8.666 8.494) 13.596 18.483 ( -7.856 -2.405 7.928) 11.418 18.503 ( -7.885 -3.598 6.173) 10.641 21.711 ( 1.713 5.463 -6.079) 8.351 21.718 ( 3.192 4.762 -6.317) 8.531 21.733 ( 1.515 3.706 -5.564) 6.855 21.811 ( -3.759 -1.312 -7.104) 8.143 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 0.000 0.000 32.779) 32.779 1.543 ( 0.000 0.000 35.476) 35.476 2.431 ( 0.000 0.000 49.301) 49.301 3.051 ( 0.000 0.000 4.450) 4.450 3.177 ( 0.000 0.000 -13.878) 13.878 3.552 ( 0.000 0.000 0.584) 0.584 3.742 ( 0.000 0.000 0.718) 0.718 4.001 ( 0.000 0.000 -2.706) 2.706 4.018 ( 0.000 0.000 -5.761) 5.761 4.168 ( 0.000 0.000 -8.407) 8.407 4.489 ( 0.000 0.000 -19.079) 19.079 4.858 ( 0.000 0.000 -3.200) 3.200 6.257 ( 0.000 0.000 7.909) 7.909 7.469 ( 0.000 0.000 9.244) 9.244 7.660 ( 0.000 0.000 28.162) 28.162 8.071 ( 0.000 0.000 -2.553) 2.553 8.195 ( 0.000 0.000 14.188) 14.188 8.367 ( 0.000 0.000 -8.459) 8.459 8.390 ( 0.000 0.000 -2.033) 2.033 9.709 ( 0.000 0.000 -2.640) 2.640 10.005 ( 0.000 0.000 -13.121) 13.121 10.112 ( 0.000 0.000 -7.460) 7.460 10.508 ( 0.000 0.000 -8.893) 8.893 10.831 ( 0.000 0.000 11.779) 11.779 11.159 ( 0.000 0.000 -9.086) 9.086 11.205 ( 0.000 0.000 -10.606) 10.606 11.396 ( 0.000 0.000 -1.031) 1.031 12.023 ( 0.000 0.000 8.764) 8.764 12.354 ( 0.000 0.000 0.056) 0.056 12.438 ( 0.000 0.000 19.634) 19.634 12.753 ( 0.000 0.000 -2.423) 2.423 12.937 ( 0.000 0.000 -6.632) 6.632 13.178 ( 0.000 0.000 8.542) 8.542 13.369 ( 0.000 0.000 -3.404) 3.404 13.601 ( 0.000 0.000 8.787) 8.787 13.720 ( 0.000 0.000 13.527) 13.527 13.740 ( 0.000 0.000 -3.317) 3.317 13.986 ( 0.000 0.000 -6.616) 6.616 14.017 ( 0.000 0.000 -16.763) 16.763 14.053 ( 0.000 0.000 0.989) 0.989 14.547 ( 0.000 0.000 10.449) 10.449 14.942 ( 0.000 0.000 20.522) 20.522 15.431 ( 0.000 0.000 -30.951) 30.951 15.618 ( 0.000 0.000 17.269) 17.269 15.767 ( 0.000 0.000 -8.042) 8.042 16.028 ( 0.000 0.000 -16.852) 16.852 16.261 ( 0.000 0.000 -10.065) 10.065 17.577 ( 0.000 0.000 18.148) 18.148 17.621 ( 0.000 0.000 -32.327) 32.327 17.901 ( 0.000 0.000 -12.391) 12.391 18.188 ( 0.000 0.000 19.339) 19.339 18.641 ( 0.000 0.000 -6.468) 6.468 18.952 ( 0.000 0.000 2.430) 2.430 19.014 ( 0.000 0.000 0.948) 0.948 19.446 ( 0.000 0.000 -3.231) 3.231 19.649 ( 0.000 0.000 -12.348) 12.348 20.715 ( 0.000 0.000 22.084) 22.084 20.764 ( 0.000 0.000 6.981) 6.981 21.585 ( 0.000 0.000 2.414) 2.414 22.138 ( 0.000 0.000 -8.085) 8.085 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 10.936 0.000 26.870) 29.011 1.754 ( 18.415 0.000 28.882) 34.254 2.718 ( 23.754 0.000 41.337) 47.676 3.077 ( 2.387 0.000 4.285) 4.905 3.211 ( 3.510 0.000 -12.790) 13.263 3.457 ( -6.739 0.000 -1.049) 6.820 3.736 ( -2.920 0.000 0.383) 2.945 3.967 ( -4.673 0.000 -5.748) 7.408 4.009 ( 1.872 0.000 -2.764) 3.339 4.143 ( -2.206 0.000 -7.076) 7.412 4.396 ( -8.625 0.000 -17.253) 19.289 4.799 ( -5.453 0.000 -2.144) 5.859 6.320 ( 5.890 0.000 7.993) 9.929 7.127 ( -14.536 0.000 14.600) 20.602 7.666 ( 1.120 0.000 27.162) 27.185 8.238 ( 4.702 0.000 4.684) 6.637 8.298 ( 6.151 0.000 -11.428) 12.978 8.579 ( 18.259 0.000 0.974) 18.285 8.603 ( 18.179 0.000 5.775) 19.074 9.663 ( -4.147 0.000 -3.124) 5.192 9.905 ( -9.177 0.000 -9.231) 13.017 10.021 ( -6.164 0.000 -6.772) 9.157 10.657 ( 10.114 0.000 -8.034) 12.916 10.776 ( -3.322 0.000 6.790) 7.559 10.950 ( -15.652 0.000 -8.834) 17.973 11.258 ( 3.080 0.000 -8.932) 9.448 11.483 ( 3.949 0.000 1.780) 4.332 11.938 ( -8.183 0.000 11.818) 14.374 12.285 ( -4.418 0.000 -3.370) 5.557 12.322 ( -9.190 0.000 14.443) 17.119 12.866 ( 7.523 0.000 -1.813) 7.738 12.938 ( 0.603 0.000 -6.599) 6.626 13.054 ( -5.565 0.000 3.545) 6.598 13.274 ( -6.661 0.000 -5.871) 8.879 13.583 ( -3.319 0.000 9.240) 9.818 13.687 ( -2.224 0.000 -4.657) 5.161 13.840 ( 5.800 0.000 4.215) 7.170 14.076 ( 20.618 0.000 2.388) 20.756 14.191 ( 6.437 0.000 -6.967) 9.485 14.271 ( 14.439 0.000 -6.944) 16.022 14.477 ( -4.647 0.000 5.522) 7.217 15.148 ( 17.359 0.000 22.794) 28.652 15.322 ( -7.577 0.000 -20.284) 21.653 15.630 ( -0.969 0.000 5.079) 5.170 15.776 ( 0.693 0.000 -6.250) 6.288 15.987 ( -8.277 0.000 -10.273) 13.192 16.287 ( 7.172 0.000 -11.400) 13.469 17.299 ( -21.345 0.000 -26.753) 34.225 17.462 ( -5.589 0.000 21.518) 22.232 18.101 ( 9.535 0.000 -13.886) 16.845 18.405 ( 11.828 0.000 11.416) 16.438 18.597 ( 3.445 0.000 7.648) 8.388 18.973 ( 1.983 0.000 2.551) 3.232 19.160 ( 6.002 0.000 -4.848) 7.715 19.445 ( -0.171 0.000 -2.694) 2.700 19.556 ( -7.737 0.000 -11.889) 14.185 20.734 ( 2.062 0.000 18.565) 18.679 20.747 ( -1.298 0.000 4.106) 4.306 21.570 ( -1.405 0.000 1.263) 1.889 22.001 ( -11.187 0.000 -7.555) 13.499 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 16.871 0.000 14.908) 22.514 2.215 ( 23.740 0.000 17.815) 29.681 3.139 ( 10.564 0.000 8.572) 13.604 3.142 ( 3.468 0.000 3.857) 5.187 3.277 ( -4.548 0.000 -0.411) 4.566 3.405 ( 5.587 0.000 1.709) 5.843 3.699 ( 6.082 0.000 -0.158) 6.084 3.838 ( -7.188 0.000 -5.646) 9.140 4.044 ( -1.235 0.000 -7.305) 7.409 4.089 ( -1.324 0.000 1.479) 1.985 4.155 ( -13.609 0.000 -13.282) 19.016 4.662 ( -6.356 0.000 1.736) 6.589 6.493 ( 10.485 0.000 8.221) 13.323 7.053 ( 6.747 0.000 10.573) 12.543 7.707 ( 1.903 0.000 23.626) 23.702 8.371 ( 7.418 0.000 -0.765) 7.457 8.404 ( 4.753 0.000 -8.198) 9.476 8.884 ( 11.219 0.000 9.880) 14.949 9.081 ( 26.446 0.000 7.309) 27.437 9.561 ( -4.867 0.000 -5.295) 7.192 9.657 ( -13.600 0.000 -0.622) 13.614 9.906 ( -4.706 0.000 -4.487) 6.502 10.481 ( -23.410 0.000 -11.324) 26.005 10.747 ( 1.035 0.000 1.035) 1.463 10.913 ( 7.934 0.000 -3.276) 8.584 11.279 ( -1.464 0.000 -8.876) 8.996 11.480 ( -4.175 0.000 9.607) 10.475 11.709 ( -12.114 0.000 14.431) 18.842 12.052 ( -17.559 0.000 4.566) 18.143 12.249 ( -0.194 0.000 -10.053) 10.054 12.921 ( 0.438 0.000 -2.379) 2.419 12.971 ( 1.910 0.000 -8.958) 9.159 13.110 ( 7.483 0.000 -9.773) 12.309 13.184 ( -0.380 0.000 -4.569) 4.585 13.551 ( 1.355 0.000 2.665) 2.990 13.593 ( -2.433 0.000 -4.415) 5.041 14.115 ( 12.952 0.000 10.367) 16.590 14.274 ( -0.416 0.000 4.504) 4.523 14.444 ( 6.717 0.000 -5.350) 8.587 14.446 ( 9.743 0.000 -9.383) 13.526 14.607 ( 20.217 0.000 0.876) 20.236 15.171 ( -6.412 0.000 -17.769) 18.891 15.483 ( -15.580 0.000 -13.189) 20.413 15.592 ( 22.344 0.000 24.180) 32.923 15.791 ( 2.392 0.000 -1.637) 2.899 15.811 ( -2.932 0.000 16.156) 16.419 16.535 ( 14.486 0.000 -10.165) 17.696 16.835 ( -22.467 0.000 -23.542) 32.542 17.453 ( 5.469 0.000 19.658) 20.405 18.181 ( -2.770 0.000 -5.989) 6.598 18.523 ( 4.911 0.000 5.371) 7.277 18.845 ( 11.354 0.000 16.931) 20.385 19.033 ( 3.754 0.000 3.003) 4.808 19.068 ( -12.970 0.000 -0.551) 12.982 19.398 ( -8.167 0.000 -7.419) 11.033 19.435 ( -0.966 0.000 -1.113) 1.474 20.738 ( 1.281 0.000 -3.946) 4.149 20.813 ( 5.666 0.000 9.331) 10.916 21.525 ( -2.925 0.000 -1.658) 3.362 21.746 ( -12.354 0.000 -10.650) 16.311 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 18.971 0.000 4.268) 19.445 2.680 ( 19.726 0.000 9.200) 21.766 3.131 ( -8.529 0.000 -4.480) 9.634 3.204 ( 1.872 0.000 3.329) 3.819 3.274 ( 4.398 0.000 -8.079) 9.198 3.379 ( -3.675 0.000 0.483) 3.706 3.691 ( -6.225 0.000 -5.436) 8.265 3.849 ( -2.113 0.000 0.016) 2.113 3.871 ( -12.543 0.000 -9.526) 15.750 3.942 ( -6.265 0.000 -7.968) 10.136 4.216 ( 13.841 0.000 13.327) 19.214 4.580 ( -1.539 0.000 7.443) 7.601 6.755 ( 14.601 0.000 8.309) 16.800 7.357 ( 21.040 0.000 4.357) 21.487 7.680 ( -5.996 0.000 16.324) 17.390 8.469 ( 0.056 0.000 -3.456) 3.456 8.551 ( 10.415 0.000 1.886) 10.584 9.105 ( 10.900 0.000 16.375) 19.671 9.367 ( -13.281 0.000 8.022) 15.515 9.481 ( -2.751 0.000 -8.595) 9.025 9.667 ( 28.348 0.000 1.982) 28.417 9.808 ( -5.962 0.000 -3.173) 6.753 9.977 ( -21.982 0.000 -14.314) 26.232 10.824 ( 6.245 0.000 -2.622) 6.773 10.999 ( 0.061 0.000 4.882) 4.883 11.179 ( -9.172 0.000 -9.130) 12.941 11.336 ( -9.677 0.000 13.121) 16.304 11.547 ( -0.599 0.000 10.861) 10.877 11.616 ( -21.839 0.000 -5.729) 22.578 12.155 ( -9.921 0.000 -3.652) 10.572 13.012 ( 3.034 0.000 -7.952) 8.511 13.014 ( 8.059 0.000 -10.714) 13.407 13.201 ( 0.261 0.000 -2.225) 2.241 13.249 ( 4.497 0.000 -14.183) 14.879 13.594 ( 2.184 0.000 -1.130) 2.459 13.707 ( 13.898 0.000 -4.958) 14.756 14.082 ( -9.861 0.000 -0.393) 9.868 14.442 ( 14.036 0.000 7.059) 15.711 14.557 ( 2.634 0.000 -16.275) 16.487 14.737 ( 16.091 0.000 0.011) 16.091 14.870 ( -3.304 0.000 -10.012) 10.543 15.070 ( -18.867 0.000 -16.500) 25.064 15.173 ( 10.636 0.000 5.277) 11.873 15.697 ( -3.027 0.000 3.410) 4.560 15.812 ( -0.346 0.000 24.304) 24.306 16.205 ( 21.430 0.000 15.951) 26.715 16.406 ( -11.764 0.000 -13.587) 17.972 16.885 ( 20.075 0.000 -4.909) 20.666 17.689 ( 15.871 0.000 11.843) 19.803 17.977 ( -16.487 0.000 4.041) 16.975 18.608 ( -18.973 0.000 -4.419) 19.481 18.678 ( 5.428 0.000 10.571) 11.883 19.064 ( 2.750 0.000 22.007) 22.179 19.126 ( 4.971 0.000 3.241) 5.934 19.139 ( -16.440 0.000 -0.229) 16.442 19.398 ( -2.587 0.000 0.877) 2.732 20.822 ( 6.891 0.000 -12.083) 13.910 20.966 ( 8.671 0.000 -0.445) 8.683 21.446 ( -4.805 0.000 -4.977) 6.918 21.496 ( -11.672 0.000 -14.494) 18.610 ======================= Grid point 130 (45/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 18.294 0.000 -2.515) 18.466 2.898 ( -14.087 0.000 -5.528) 15.132 3.014 ( 12.177 0.000 4.056) 12.835 3.187 ( -4.284 0.000 2.797) 5.116 3.328 ( 0.758 0.000 -4.242) 4.309 3.341 ( -0.207 0.000 -8.608) 8.611 3.609 ( -0.858 0.000 -5.419) 5.487 3.668 ( -6.435 0.000 -6.567) 9.194 3.769 ( -1.504 0.000 -1.499) 2.124 3.818 ( -5.137 0.000 -4.234) 6.657 4.461 ( 7.917 0.000 13.779) 15.891 4.556 ( -1.937 0.000 11.462) 11.624 7.094 ( 17.417 0.000 8.239) 19.267 7.448 ( -15.318 0.000 9.877) 18.226 7.866 ( 25.797 0.000 1.199) 25.825 8.325 ( -15.385 0.000 0.480) 15.392 8.806 ( 13.448 0.000 8.564) 15.943 9.089 ( -13.409 0.000 11.603) 17.732 9.320 ( 7.869 0.000 11.159) 13.654 9.430 ( -3.481 0.000 -3.347) 4.829 9.612 ( -3.435 0.000 -18.742) 19.055 9.718 ( -7.987 0.000 -2.284) 8.307 10.254 ( 27.565 0.000 -6.131) 28.238 10.797 ( -22.267 0.000 -10.623) 24.671 10.998 ( 2.267 0.000 12.047) 12.258 11.029 ( 8.474 0.000 -4.201) 9.458 11.125 ( -9.208 0.000 14.061) 16.808 11.255 ( -12.646 0.000 -5.934) 13.969 11.654 ( 9.154 0.000 6.146) 11.026 11.894 ( -13.188 0.000 2.773) 13.476 13.093 ( 4.331 0.000 -4.189) 6.025 13.173 ( -2.873 0.000 -2.398) 3.742 13.193 ( 7.416 0.000 -16.833) 18.394 13.285 ( -1.195 0.000 -17.612) 17.652 13.685 ( 6.620 0.000 -0.917) 6.683 13.864 ( -10.166 0.000 -0.903) 10.206 14.080 ( 20.491 0.000 -9.534) 22.601 14.506 ( -16.653 0.000 -14.137) 21.845 14.667 ( -0.454 0.000 -15.132) 15.139 14.751 ( 14.228 0.000 3.165) 14.576 14.782 ( -8.784 0.000 -14.813) 17.221 14.937 ( -0.328 0.000 2.508) 2.529 15.479 ( 14.289 0.000 17.926) 22.924 15.698 ( 6.352 0.000 -1.528) 6.534 15.723 ( -8.416 0.000 22.280) 23.816 15.962 ( -16.813 0.000 -9.490) 19.307 16.906 ( 31.197 0.000 17.499) 35.769 17.381 ( 26.391 0.000 -2.405) 26.500 17.519 ( -26.543 0.000 12.241) 29.230 17.875 ( -12.749 0.000 -0.092) 12.749 18.317 ( 8.090 0.000 4.167) 9.100 18.716 ( -21.955 0.000 3.919) 22.302 18.870 ( 9.434 0.000 14.674) 17.445 19.037 ( -5.631 0.000 18.585) 19.419 19.232 ( 4.976 0.000 3.014) 5.817 19.328 ( -4.089 0.000 2.279) 4.682 21.014 ( 10.865 0.000 -15.698) 19.091 21.154 ( 8.860 0.000 -5.987) 10.693 21.253 ( -11.708 0.000 -16.130) 19.932 21.322 ( -7.047 0.000 -6.989) 9.925 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.000 6.565 31.198) 31.881 1.581 ( 0.000 20.494 26.751) 33.699 2.708 ( 0.000 23.521 39.664) 46.113 3.036 ( 0.000 -3.090 -0.810) 3.194 3.184 ( 0.000 2.030 -8.065) 8.317 3.488 ( 0.000 -6.386 0.830) 6.440 3.716 ( 0.000 -2.324 -0.299) 2.344 3.947 ( 0.000 -4.050 -8.831) 9.715 4.036 ( 0.000 2.219 -2.650) 3.456 4.168 ( 0.000 -1.241 -5.164) 5.311 4.467 ( 0.000 -2.345 -18.110) 18.261 4.809 ( 0.000 -4.830 -3.497) 5.963 6.464 ( 0.000 18.308 5.573) 19.137 7.456 ( 0.000 -1.310 10.341) 10.423 7.684 ( 0.000 2.098 28.473) 28.550 7.878 ( 0.000 -11.784 1.735) 11.911 8.205 ( 0.000 -2.610 13.053) 13.311 8.366 ( 0.000 -2.310 -4.106) 4.712 8.401 ( 0.000 3.811 -7.818) 8.697 9.723 ( 0.000 1.743 -1.590) 2.360 9.921 ( 0.000 -9.672 -9.974) 13.893 10.191 ( 0.000 7.966 -9.076) 12.076 10.496 ( 0.000 -1.452 -9.503) 9.613 10.873 ( 0.000 -16.371 -7.827) 18.146 10.881 ( 0.000 4.697 7.307) 8.686 11.372 ( 0.000 -0.533 4.998) 5.026 11.428 ( 0.000 9.730 -7.659) 12.383 11.938 ( 0.000 -6.091 8.364) 10.347 12.310 ( 0.000 -1.226 -0.786) 1.456 12.617 ( 0.000 13.447 15.317) 20.382 12.866 ( 0.000 8.334 -3.097) 8.891 12.958 ( 0.000 2.475 -3.832) 4.561 13.090 ( 0.000 -8.441 4.879) 9.750 13.309 ( 0.000 -2.931 3.861) 4.848 13.558 ( 0.000 -3.684 6.664) 7.614 13.740 ( 0.000 -6.376 -7.052) 9.507 13.751 ( 0.000 2.107 10.084) 10.302 13.946 ( 0.000 0.229 -8.984) 8.987 13.982 ( 0.000 0.041 -4.439) 4.439 14.249 ( 0.000 13.325 -9.573) 16.407 14.681 ( 0.000 11.306 13.967) 17.969 14.964 ( 0.000 2.253 21.574) 21.691 15.394 ( 0.000 -3.331 -30.556) 30.737 15.612 ( 0.000 0.916 12.839) 12.871 15.727 ( 0.000 -3.233 -8.731) 9.310 16.068 ( 0.000 3.887 -16.704) 17.151 16.329 ( 0.000 5.519 -8.727) 10.326 17.518 ( 0.000 -5.449 18.987) 19.753 17.675 ( 0.000 5.013 -30.313) 30.725 17.940 ( 0.000 3.663 -12.416) 12.945 18.098 ( 0.000 -9.906 18.825) 21.272 18.568 ( 0.000 -10.514 -6.221) 12.216 18.745 ( 0.000 -14.233 2.489) 14.449 18.897 ( 0.000 -10.859 10.712) 15.253 19.267 ( 0.000 -12.860 -6.942) 14.614 19.505 ( 0.000 -12.451 -6.729) 14.153 20.900 ( 0.000 16.397 15.887) 22.831 20.934 ( 0.000 14.730 6.073) 15.933 21.601 ( 0.000 1.551 2.227) 2.714 22.194 ( 0.000 2.811 -9.895) 10.287 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 8.618 18.178 22.720) 30.347 1.767 ( 16.644 3.758 26.944) 31.892 2.929 ( 16.400 15.889 28.353) 36.405 3.068 ( 3.764 -0.077 5.204) 6.423 3.204 ( 2.904 0.075 -8.987) 9.444 3.427 ( -4.476 -3.504 -0.404) 5.698 3.691 ( -3.042 -3.481 -0.896) 4.708 3.913 ( -3.969 -4.418 -7.417) 9.501 4.034 ( 0.619 2.348 -3.338) 4.128 4.134 ( -2.862 -1.342 -4.590) 5.574 4.396 ( -6.511 -0.412 -16.114) 17.385 4.750 ( -5.369 -4.682 -2.563) 7.571 6.530 ( 6.037 18.754 5.615) 20.487 7.162 ( -12.981 4.170 12.986) 18.829 7.663 ( 1.023 -0.924 27.831) 27.865 8.128 ( 10.068 -7.775 1.502) 12.809 8.301 ( 4.526 -1.696 -4.789) 6.804 8.498 ( 15.873 -6.051 4.084) 17.471 8.611 ( 16.648 1.041 3.165) 16.978 9.674 ( -4.928 1.645 -2.950) 5.974 9.894 ( -2.535 -5.838 -8.163) 10.351 10.032 ( -11.045 3.648 -5.727) 12.966 10.613 ( 7.124 -3.683 -6.530) 10.342 10.802 ( -3.014 2.769 -2.200) 4.646 10.968 ( -0.381 -3.227 -1.735) 3.683 11.093 ( -11.116 -5.262 -5.174) 13.343 11.577 ( 2.180 2.509 6.082) 6.931 11.871 ( -5.354 -2.274 6.999) 9.101 12.259 ( -4.081 0.234 -3.351) 5.286 12.523 ( -7.058 13.929 10.111) 18.603 12.905 ( 2.563 0.756 -7.875) 8.316 12.950 ( -6.163 -2.474 4.828) 8.211 13.057 ( 5.362 6.541 -2.283) 8.761 13.241 ( -4.981 -3.013 -4.450) 7.327 13.539 ( -6.032 -4.092 3.693) 8.171 13.654 ( 3.248 -3.729 1.508) 5.170 13.910 ( 4.056 1.805 -3.261) 5.509 14.082 ( 21.012 1.105 7.060) 22.194 14.156 ( 7.433 4.139 -4.979) 9.858 14.326 ( 5.887 2.041 -8.939) 10.896 14.636 ( -0.867 12.665 7.990) 15.000 15.147 ( 12.104 -1.029 21.917) 25.058 15.321 ( -3.048 0.644 -21.334) 21.561 15.613 ( -1.229 0.090 2.402) 2.699 15.735 ( 0.598 -2.890 -5.894) 6.592 16.010 ( -7.807 2.029 -10.637) 13.350 16.334 ( 3.907 3.287 -8.691) 10.079 17.332 ( -17.251 2.502 -13.038) 21.768 17.485 ( -5.466 3.339 9.236) 11.240 18.133 ( 9.161 2.753 -13.605) 16.631 18.329 ( 16.027 -10.069 13.916) 23.493 18.527 ( -0.369 -7.660 0.524) 7.686 18.737 ( 0.769 -17.586 5.796) 18.533 19.051 ( 8.814 -13.950 3.956) 16.969 19.232 ( -4.455 -13.032 -4.959) 14.638 19.428 ( -6.155 -11.463 -7.547) 15.041 20.908 ( 0.948 15.608 13.617) 20.735 20.922 ( -0.736 15.089 3.173) 15.436 21.589 ( -1.171 1.780 1.064) 2.381 22.073 ( -10.216 4.369 -9.520) 14.632 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 14.021 13.114 13.646) 23.553 2.191 ( 22.044 -0.804 18.458) 28.763 3.079 ( 1.760 -4.599 0.618) 4.963 3.180 ( 3.435 0.983 -3.843) 5.247 3.288 ( -2.975 -0.348 2.259) 3.751 3.450 ( 4.368 4.355 5.793) 8.462 3.650 ( 3.731 -5.839 0.928) 6.991 3.809 ( -3.129 -0.373 -3.802) 4.938 4.009 ( -4.826 -2.191 -9.323) 10.724 4.093 ( 0.314 1.484 2.352) 2.799 4.222 ( -9.214 4.069 -11.222) 15.080 4.615 ( -6.425 -4.398 0.779) 7.825 6.702 ( 10.134 19.768 6.388) 23.115 7.094 ( 6.410 4.559 10.770) 13.336 7.723 ( 3.994 0.613 24.657) 24.986 8.319 ( 8.748 -3.891 -1.093) 9.636 8.384 ( 3.981 -2.003 -6.862) 8.182 8.820 ( 13.460 -5.053 11.252) 18.257 9.054 ( 24.487 -2.694 6.784) 25.552 9.516 ( -9.671 -1.381 -5.065) 11.004 9.767 ( -9.223 6.304 -0.715) 11.195 9.883 ( -2.404 -2.119 -2.751) 4.223 10.520 ( -22.793 4.776 -10.101) 25.385 10.722 ( 3.679 -5.344 -1.617) 6.686 10.909 ( 0.915 1.397 -1.139) 2.021 11.095 ( 3.349 -11.457 -5.275) 13.050 11.490 ( -8.822 -4.659 10.137) 14.223 11.715 ( -9.836 2.228 9.339) 13.745 12.164 ( -10.235 7.869 -5.201) 13.918 12.333 ( -7.037 9.249 -3.896) 12.257 12.867 ( -0.522 -4.870 -1.235) 5.051 12.989 ( 3.933 -2.535 -11.924) 12.810 13.115 ( 0.025 5.162 -11.769) 12.851 13.244 ( 5.386 5.422 -0.656) 7.671 13.467 ( 1.569 -4.223 2.091) 4.967 13.708 ( 1.834 5.026 1.819) 5.651 14.084 ( 7.735 -5.200 2.163) 9.568 14.242 ( 3.346 4.249 -2.352) 5.898 14.395 ( 7.392 -1.784 -6.266) 9.853 14.587 ( 15.824 5.661 10.240) 19.680 14.720 ( 11.693 9.911 -4.749) 16.047 15.142 ( -5.271 -1.161 -14.566) 15.534 15.423 ( -4.902 -6.402 0.396) 8.073 15.579 ( -6.981 -0.569 -2.124) 7.320 15.741 ( 13.936 0.456 3.975) 14.499 15.915 ( 2.707 5.720 15.739) 16.963 16.498 ( 10.108 -4.197 -7.624) 13.338 16.928 ( -19.033 9.174 -20.370) 29.349 17.503 ( 6.359 5.364 17.427) 19.311 18.206 ( -2.896 1.958 -6.154) 7.078 18.512 ( 4.330 -1.113 3.603) 5.742 18.697 ( 10.033 -24.362 5.811) 26.980 18.779 ( 3.508 -11.689 12.093) 17.181 19.011 ( -13.710 -7.404 0.389) 15.586 19.175 ( 1.094 -21.839 4.115) 22.250 19.303 ( -6.181 -8.517 -5.358) 11.809 20.919 ( 1.299 15.266 -2.879) 15.589 20.960 ( 3.938 13.515 5.635) 15.163 21.551 ( -2.485 2.439 -1.890) 3.962 21.831 ( -11.953 6.211 -11.505) 17.715 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 16.561 7.936 4.363) 18.875 2.621 ( 18.035 -4.538 10.940) 21.576 3.063 ( -3.663 -5.033 -2.945) 6.886 3.212 ( -3.873 -0.555 -1.056) 4.053 3.259 ( 3.991 -2.872 -9.927) 11.078 3.380 ( -4.920 -0.167 0.264) 4.930 3.622 ( -4.210 -6.629 -3.087) 8.438 3.796 ( -6.168 -1.288 -2.515) 6.784 3.915 ( -3.969 2.478 -4.093) 6.217 4.020 ( -8.790 5.450 -7.585) 12.826 4.216 ( 10.563 0.192 9.976) 14.530 4.523 ( -2.403 -5.349 5.960) 8.361 6.949 ( 13.630 18.900 8.010) 24.641 7.392 ( 20.694 3.670 5.314) 21.679 7.760 ( -2.450 6.811 18.229) 19.613 8.435 ( 0.782 -2.735 -2.537) 3.812 8.520 ( 10.138 -2.488 0.708) 10.463 9.083 ( 11.742 -1.785 16.296) 20.165 9.303 ( -9.377 -4.132 0.881) 10.285 9.486 ( 5.554 -4.561 -2.472) 7.600 9.652 ( 4.407 2.559 3.303) 6.072 9.885 ( 5.481 5.038 -2.145) 7.748 10.017 ( -22.583 4.902 -14.676) 27.376 10.789 ( 1.586 -9.259 0.179) 9.395 10.928 ( 2.681 0.349 -0.824) 2.827 11.167 ( 2.010 -3.004 -4.360) 5.663 11.262 ( -12.247 -4.832 7.375) 15.091 11.472 ( -13.833 -4.117 7.290) 16.169 11.851 ( -12.732 16.786 -3.322) 21.328 12.193 ( -10.399 4.212 -3.351) 11.709 12.922 ( 5.149 -7.128 -7.822) 11.769 13.033 ( 1.093 -3.848 -10.686) 11.411 13.171 ( 4.431 3.236 -11.551) 12.788 13.321 ( 1.559 7.811 -1.300) 8.070 13.657 ( 15.316 -1.620 -3.859) 15.877 13.763 ( 3.780 8.563 -0.470) 9.372 14.072 ( -4.866 -0.269 -3.533) 6.019 14.392 ( 6.512 0.687 -4.599) 8.001 14.538 ( 5.268 -11.062 -0.565) 12.265 14.746 ( 2.992 8.601 -3.006) 9.590 14.977 ( -5.507 0.300 -11.602) 12.846 15.073 ( -0.758 5.604 -14.245) 15.326 15.228 ( 6.206 6.215 8.295) 12.080 15.489 ( -1.125 -12.438 8.090) 14.880 15.907 ( -0.429 2.917 10.221) 10.638 16.292 ( 26.900 7.921 21.456) 35.309 16.466 ( -14.504 4.162 -14.796) 21.133 16.870 ( 17.485 -0.041 -3.242) 17.783 17.728 ( 14.114 4.101 11.267) 18.519 18.005 ( -15.882 2.474 3.638) 16.480 18.529 ( -20.380 -7.913 -3.680) 22.170 18.631 ( 4.871 -4.887 8.671) 11.081 18.805 ( 0.794 -25.739 2.939) 25.918 18.977 ( 1.946 -10.550 14.613) 18.128 19.068 ( -7.922 -9.516 5.478) 13.540 19.211 ( -2.305 -14.492 5.132) 15.546 20.991 ( 5.731 14.300 -10.612) 18.707 21.075 ( 6.887 10.283 -2.008) 12.538 21.483 ( -4.154 3.544 -5.305) 7.613 21.591 ( -11.067 7.506 -14.292) 19.573 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 16.368 3.575 -2.214) 16.900 2.877 ( -4.867 -3.382 -0.486) 5.946 2.946 ( 3.710 -3.969 -0.274) 5.440 3.101 ( -6.597 -6.538 0.706) 9.315 3.316 ( 1.723 -3.881 -6.546) 7.802 3.343 ( 0.002 0.047 -6.169) 6.169 3.581 ( 0.911 -2.367 -2.371) 3.472 3.656 ( -5.732 -0.182 -2.970) 6.459 3.831 ( -2.057 4.553 -2.731) 5.694 3.867 ( -5.119 4.665 -4.822) 8.439 4.402 ( 6.142 -5.284 11.315) 13.917 4.483 ( -2.216 -6.682 9.674) 11.964 7.264 ( 16.097 16.431 8.810) 24.632 7.582 ( -12.913 12.672 11.262) 21.311 7.895 ( 24.474 2.860 2.525) 24.769 8.319 ( -13.508 -0.313 2.104) 13.675 8.775 ( 13.692 -2.872 7.411) 15.832 9.054 ( -12.112 -3.384 9.611) 15.828 9.328 ( 7.404 0.909 10.141) 12.589 9.437 ( -3.794 -0.383 -4.462) 5.869 9.618 ( -3.869 0.353 -15.737) 16.210 9.703 ( -7.322 -0.089 -2.929) 7.886 10.270 ( 23.715 1.181 -5.862) 24.458 10.705 ( -13.515 -7.449 -5.579) 16.409 11.010 ( -2.676 -2.249 4.071) 5.366 11.064 ( 5.201 4.902 -1.369) 7.277 11.121 ( -7.169 -0.199 10.371) 12.609 11.224 ( -7.018 -5.114 -1.416) 8.798 11.757 ( 3.282 11.064 1.963) 11.706 11.934 ( -12.189 5.004 2.043) 13.334 13.019 ( 3.206 -9.268 -9.210) 13.454 13.050 ( 0.097 -7.746 -10.049) 12.688 13.265 ( 4.076 4.730 -10.195) 11.955 13.323 ( -1.289 7.560 -6.010) 9.744 13.847 ( 4.893 10.647 -1.848) 11.862 13.941 ( -2.201 5.634 -4.174) 7.349 14.077 ( 17.796 1.011 -8.220) 19.629 14.440 ( -4.855 -6.491 -10.898) 13.582 14.547 ( -5.282 -12.633 -8.032) 15.875 14.557 ( -11.726 -1.061 -11.978) 16.796 14.939 ( 8.164 3.435 3.811) 9.642 15.095 ( -3.516 5.692 0.668) 6.724 15.424 ( 9.369 -0.538 7.669) 12.119 15.565 ( 1.900 -0.092 8.147) 8.366 15.875 ( 2.977 8.052 3.440) 9.249 16.110 ( -15.287 9.557 -4.314) 18.538 16.939 ( 30.571 3.473 17.715) 35.503 17.345 ( 24.078 -3.321 -0.499) 24.311 17.554 ( -23.595 3.190 11.740) 26.547 17.881 ( -16.903 0.265 -0.238) 16.907 18.237 ( 9.827 -7.409 5.271) 13.388 18.602 ( -17.254 -13.038 5.517) 22.319 18.782 ( 5.363 -8.209 7.803) 12.531 18.878 ( -3.217 -15.639 7.879) 17.805 19.095 ( 3.004 -10.429 13.078) 16.995 19.157 ( -2.923 -14.492 7.997) 16.808 21.150 ( 9.059 11.672 -14.639) 20.799 21.228 ( 6.942 7.231 -7.124) 12.298 21.364 ( -9.125 8.546 -13.815) 18.632 21.382 ( -6.766 6.112 -8.683) 12.591 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.000 18.581 17.970) 25.849 2.066 ( 0.000 26.872 17.325) 31.972 2.902 ( 0.000 -10.339 -4.089) 11.118 3.167 ( 0.000 19.401 21.771) 29.161 3.265 ( 0.000 5.172 -3.372) 6.174 3.312 ( 0.000 -11.586 1.651) 11.703 3.677 ( 0.000 -0.703 -1.602) 1.750 3.877 ( 0.000 -1.794 -8.151) 8.346 4.075 ( 0.000 -3.058 -3.430) 4.595 4.151 ( 0.000 4.917 -3.713) 6.162 4.393 ( 0.000 -5.362 -15.467) 16.370 4.679 ( 0.000 -8.137 -4.058) 9.093 6.832 ( 0.000 16.508 9.402) 18.998 7.409 ( 0.000 -3.924 13.648) 14.201 7.730 ( 0.000 2.560 27.218) 27.339 7.774 ( 0.000 2.181 -1.596) 2.702 8.120 ( 0.000 -4.578 13.680) 14.426 8.305 ( 0.000 -3.821 -8.463) 9.285 8.518 ( 0.000 8.664 -4.626) 9.822 9.626 ( 0.000 -18.445 -5.712) 19.309 9.804 ( 0.000 4.973 2.146) 5.416 10.328 ( 0.000 4.224 -10.660) 11.466 10.422 ( 0.000 -8.066 -8.589) 11.783 10.577 ( 0.000 -11.528 -6.816) 13.392 11.054 ( 0.000 14.402 -1.821) 14.516 11.421 ( 0.000 4.872 12.964) 13.849 11.553 ( 0.000 3.168 3.474) 4.702 11.832 ( 0.000 -5.091 -1.079) 5.204 12.321 ( 0.000 2.600 -5.561) 6.139 12.869 ( 0.000 10.200 4.923) 11.326 12.882 ( 0.000 -12.074 -0.469) 12.084 13.014 ( 0.000 6.346 -0.909) 6.411 13.062 ( 0.000 8.819 9.779) 13.168 13.279 ( 0.000 -0.673 7.230) 7.262 13.474 ( 0.000 -4.726 2.422) 5.310 13.545 ( 0.000 -10.939 -7.121) 13.053 13.769 ( 0.000 -0.195 -3.841) 3.846 13.944 ( 0.000 -1.667 -8.542) 8.703 14.025 ( 0.000 5.096 6.942) 8.612 14.468 ( 0.000 6.295 -0.299) 6.302 14.840 ( 0.000 2.894 12.725) 13.050 15.016 ( 0.000 2.056 19.210) 19.320 15.331 ( 0.000 -1.781 -25.811) 25.872 15.636 ( 0.000 -4.264 -12.060) 12.792 15.800 ( 0.000 18.855 9.317) 21.031 16.167 ( 0.000 5.800 -16.168) 17.177 16.416 ( 0.000 2.057 -8.554) 8.797 17.417 ( 0.000 -2.715 19.592) 19.779 17.720 ( 0.000 -23.195 1.959) 23.278 17.780 ( 0.000 -3.446 -9.141) 9.769 18.028 ( 0.000 4.988 -13.410) 14.308 18.252 ( 0.000 -12.855 1.152) 12.906 18.599 ( 0.000 -3.801 -5.248) 6.480 18.707 ( 0.000 -6.229 15.185) 16.413 19.047 ( 0.000 -9.611 -12.530) 15.792 19.242 ( 0.000 -13.247 -0.846) 13.274 21.237 ( 0.000 15.072 4.237) 15.657 21.275 ( 0.000 20.054 8.629) 21.831 21.629 ( 0.000 0.688 2.051) 2.163 22.169 ( 0.000 -5.825 -7.575) 9.556 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 10.557 14.700 17.576) 25.228 2.112 ( 4.434 24.494 15.413) 29.278 2.920 ( 1.798 -9.313 -2.770) 9.882 3.218 ( -3.338 1.198 -4.415) 5.663 3.275 ( 1.455 0.612 6.300) 6.495 3.330 ( 7.453 1.960 10.977) 13.412 3.639 ( -3.809 -0.935 -2.468) 4.634 3.858 ( -1.208 0.614 -4.877) 5.062 4.041 ( -2.901 -3.139 -5.107) 6.660 4.152 ( 0.148 5.601 -2.791) 6.260 4.364 ( -2.832 -3.159 -13.847) 14.482 4.630 ( -4.541 -7.300 -3.449) 9.263 6.898 ( 6.294 15.372 9.808) 19.290 7.316 ( -4.334 9.688 7.446) 12.964 7.630 ( -1.530 0.246 23.753) 23.804 8.027 ( 13.026 -1.766 5.946) 14.428 8.228 ( 6.934 -4.878 2.144) 8.745 8.388 ( 10.681 -5.284 1.913) 12.069 8.669 ( 12.899 5.671 1.117) 14.135 9.642 ( 0.752 -14.510 -4.984) 15.360 9.769 ( -3.360 3.286 0.733) 4.757 10.075 ( -13.070 -0.643 -4.583) 13.865 10.526 ( 1.678 -4.910 -8.061) 9.587 10.697 ( 8.552 -13.421 -6.855) 17.327 11.016 ( -4.674 15.492 -3.469) 16.550 11.176 ( -14.327 7.235 1.267) 16.100 11.541 ( -6.122 -4.103 13.992) 15.814 11.862 ( -0.046 -1.669 -1.260) 2.092 12.304 ( -1.118 4.599 -6.440) 7.992 12.752 ( -5.666 2.586 2.319) 6.646 12.862 ( -3.921 0.664 1.260) 4.171 12.929 ( -3.732 3.132 -2.878) 5.659 13.165 ( -3.865 -4.966 -4.058) 7.488 13.267 ( 10.330 11.666 1.749) 15.680 13.421 ( -5.242 -7.155 -1.603) 9.013 13.571 ( 6.438 -3.776 3.436) 8.217 13.907 ( 4.427 -0.014 -6.604) 7.951 14.123 ( 19.538 1.935 7.884) 21.157 14.188 ( 10.641 -1.495 -1.026) 10.794 14.460 ( 0.369 8.811 0.679) 8.845 14.795 ( -2.352 1.654 3.515) 4.541 15.116 ( 6.914 -1.644 22.995) 24.069 15.328 ( 0.038 0.616 -22.310) 22.319 15.627 ( -0.265 -2.675 -11.777) 12.080 15.832 ( 1.026 18.105 5.281) 18.887 16.065 ( -7.780 3.921 -9.672) 13.018 16.352 ( -3.322 -2.207 -4.727) 6.185 17.394 ( -4.020 4.617 7.722) 9.855 17.602 ( -5.742 6.401 -8.070) 11.793 17.887 ( 8.858 -30.404 5.632) 32.165 18.187 ( 10.195 -0.595 -9.041) 13.640 18.273 ( 1.855 -13.788 3.125) 14.259 18.578 ( -0.492 -1.091 -0.716) 1.395 18.736 ( 1.308 -12.008 12.030) 17.048 19.043 ( -2.551 -8.462 -6.902) 11.214 19.181 ( -4.289 -12.535 -2.946) 13.572 21.233 ( -0.277 15.061 2.026) 15.199 21.264 ( -0.693 19.277 6.769) 20.443 21.623 ( -0.640 1.047 0.876) 1.508 22.085 ( -7.333 -3.832 -8.262) 11.692 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 11.438 11.216 14.553) 21.643 2.268 ( 12.598 14.199 10.614) 21.748 2.964 ( 1.871 -7.687 0.197) 7.914 3.159 ( -1.961 -1.639 -9.187) 9.536 3.226 ( -2.809 -6.192 -0.078) 6.800 3.464 ( -2.108 -11.477 0.554) 11.682 3.534 ( -3.118 3.840 1.312) 5.118 3.850 ( -1.600 -0.471 2.140) 2.713 4.000 ( 0.927 4.229 -6.935) 8.175 4.156 ( 0.359 4.872 -0.077) 4.886 4.275 ( -5.539 1.064 -10.167) 11.627 4.509 ( -6.299 -6.024 -1.199) 8.798 7.103 ( 13.724 13.958 8.906) 21.506 7.310 ( 3.672 21.598 6.124) 22.748 7.686 ( 6.893 -4.304 23.495) 24.860 8.275 ( 9.623 -1.015 0.446) 9.686 8.341 ( 5.955 -1.147 -2.681) 6.630 8.716 ( 17.164 -5.985 11.783) 21.662 9.010 ( 18.614 -0.154 6.109) 19.591 9.527 ( -11.751 1.886 -4.468) 12.712 9.756 ( 2.507 -7.865 0.086) 8.255 9.864 ( -7.184 -0.521 2.766) 7.715 10.540 ( -0.080 -9.827 -5.211) 11.124 10.665 ( -18.696 4.491 -7.266) 20.555 10.853 ( -0.195 -2.319 -4.622) 5.175 11.077 ( 2.213 8.885 -1.600) 9.295 11.365 ( -9.304 -6.953 7.906) 14.051 11.710 ( -13.221 -3.513 4.530) 14.410 12.322 ( 0.791 8.414 -10.574) 13.537 12.553 ( -14.613 10.682 -3.642) 18.464 12.754 ( -1.280 -5.812 -3.276) 6.793 12.911 ( -0.516 -4.498 -12.661) 13.446 13.212 ( 5.634 3.617 -5.133) 8.437 13.384 ( 5.449 1.450 -2.017) 5.988 13.454 ( 5.070 9.150 2.611) 10.782 13.710 ( 6.036 -3.774 6.102) 9.376 13.982 ( 3.511 -3.550 -1.005) 5.093 14.370 ( 4.906 -1.239 -0.745) 5.114 14.410 ( 4.602 7.586 -7.041) 11.327 14.661 ( 19.238 4.385 13.759) 24.055 14.782 ( 1.633 -4.062 -7.790) 8.936 15.245 ( 5.727 2.126 11.919) 13.394 15.308 ( -2.305 4.159 -11.333) 12.290 15.585 ( -14.601 0.530 -14.227) 20.393 15.737 ( 4.611 -0.622 -1.866) 5.013 16.119 ( 12.449 16.383 16.178) 26.175 16.358 ( 4.163 -9.555 -0.996) 10.470 17.164 ( -13.816 14.011 -15.125) 24.818 17.661 ( 7.391 9.869 12.763) 17.746 18.056 ( 7.421 -34.283 4.750) 35.398 18.198 ( -5.036 -8.387 -9.988) 13.980 18.451 ( 7.556 -7.397 4.302) 11.415 18.587 ( 0.866 -5.888 6.975) 9.168 18.723 ( -3.619 -14.437 9.692) 17.761 18.882 ( -9.210 -9.027 5.275) 13.933 19.112 ( -3.983 -10.366 -2.910) 11.480 21.234 ( 0.731 15.308 -2.849) 15.588 21.267 ( 1.263 16.363 0.959) 16.439 21.601 ( -1.481 1.984 -2.151) 3.279 21.902 ( -9.441 -0.105 -10.639) 14.224 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 11.073 10.433 4.675) 15.915 2.566 ( 13.097 0.530 9.293) 16.067 2.971 ( -1.761 -3.958 -0.701) 4.389 3.138 ( 0.903 -7.256 -6.289) 9.645 3.172 ( -5.469 -4.297 -4.660) 8.372 3.349 ( -2.220 -4.970 -5.658) 7.852 3.499 ( -1.901 -3.089 3.284) 4.893 3.753 ( -6.122 -4.131 -0.985) 7.451 3.997 ( -2.991 5.833 -3.057) 7.233 4.117 ( -7.254 4.271 -6.063) 10.374 4.226 ( 3.607 0.691 2.732) 4.577 4.398 ( -4.042 -6.714 2.524) 8.233 7.429 ( 11.888 27.632 7.189) 30.928 7.498 ( 19.121 7.263 8.013) 21.967 7.862 ( 7.322 1.476 20.891) 22.186 8.380 ( 2.017 -3.356 -0.936) 4.026 8.514 ( 8.634 3.689 0.898) 9.432 9.046 ( 12.889 -2.682 13.241) 18.672 9.229 ( -6.185 -3.284 -4.074) 8.102 9.386 ( 4.997 -2.238 4.259) 6.936 9.672 ( -6.629 -2.145 3.326) 7.720 9.926 ( 11.486 -2.699 -0.329) 11.803 10.199 ( -22.552 12.386 -13.297) 28.962 10.546 ( 0.917 -11.569 -3.513) 12.125 10.915 ( 5.187 -4.431 -1.104) 6.910 11.105 ( -3.325 -4.190 1.369) 5.522 11.193 ( -4.971 -0.048 1.141) 5.101 11.398 ( -15.124 -3.010 2.380) 15.603 12.185 ( -10.839 16.296 -6.477) 20.615 12.318 ( -9.729 8.087 -3.042) 13.011 12.773 ( 2.496 -7.533 -9.110) 12.082 12.885 ( -1.327 -8.873 -11.537) 14.615 13.333 ( 5.663 9.730 -4.806) 12.241 13.507 ( 1.536 10.794 -2.690) 11.230 13.629 ( 15.168 -0.008 -3.499) 15.566 13.802 ( 3.793 -4.091 1.152) 5.697 14.093 ( 7.327 -1.374 1.947) 7.705 14.369 ( -4.270 -2.995 -5.876) 7.857 14.470 ( -0.213 2.938 -3.529) 4.597 14.797 ( 1.418 -4.860 -4.021) 6.465 14.907 ( -3.906 3.335 -5.587) 7.589 15.230 ( -10.557 -2.025 -2.048) 10.942 15.341 ( 7.488 4.280 7.981) 11.751 15.462 ( 13.292 16.260 -4.073) 21.393 15.882 ( 5.560 -4.922 2.855) 7.956 16.464 ( 4.024 -3.954 -5.072) 7.586 16.510 ( 21.136 13.556 17.503) 30.608 16.965 ( 0.116 10.343 -5.691) 11.806 17.821 ( 6.066 1.260 9.038) 10.958 18.026 ( -10.511 -4.008 -1.248) 11.318 18.193 ( 3.486 -26.058 4.673) 26.702 18.366 ( -16.787 -11.294 1.541) 20.292 18.470 ( -5.203 -10.280 4.919) 12.528 18.729 ( 2.998 -10.598 10.162) 14.986 18.828 ( 2.013 -12.408 15.290) 19.794 18.981 ( -7.831 -9.833 5.100) 13.566 21.279 ( 3.708 13.700 -8.664) 16.629 21.318 ( 3.484 12.963 -5.158) 14.380 21.559 ( -2.547 3.517 -5.704) 7.169 21.711 ( -8.696 3.496 -13.229) 16.213 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 11.220 4.407 -1.829) 12.192 2.777 ( 6.516 -4.636 4.637) 9.244 2.895 ( -4.552 -2.646 -4.289) 6.791 2.983 ( -9.946 -5.209 -2.209) 11.443 3.219 ( 5.952 -4.119 -3.048) 7.854 3.333 ( -3.418 0.106 -4.669) 5.788 3.510 ( 4.174 -5.449 1.197) 6.968 3.625 ( -5.980 -3.788 -1.071) 7.159 3.936 ( -1.302 6.139 -2.335) 6.696 3.975 ( -4.995 5.850 -4.194) 8.761 4.289 ( 2.126 -5.667 5.185) 7.970 4.333 ( -2.451 -7.856 5.101) 9.682 7.671 ( 11.910 22.880 10.328) 27.785 7.870 ( -3.525 14.136 14.874) 20.821 7.975 ( 19.566 5.383 6.673) 21.362 8.319 ( -9.826 0.024 6.297) 11.671 8.728 ( 12.574 -0.409 4.207) 13.265 8.987 ( -10.837 -2.217 5.706) 12.446 9.312 ( 5.621 -6.705 6.783) 11.071 9.370 ( -3.297 -4.708 -4.522) 7.313 9.622 ( 2.378 1.963 -5.535) 6.336 9.798 ( -13.864 9.874 -12.061) 20.861 10.266 ( 17.715 -3.618 -6.530) 19.224 10.542 ( -5.229 -9.095 -6.965) 12.592 10.933 ( -1.982 -5.133 -0.405) 5.517 11.060 ( -10.472 -4.175 7.632) 13.614 11.086 ( 5.889 -3.223 5.033) 8.390 11.194 ( -4.003 2.767 0.053) 4.867 12.039 ( -2.141 15.932 -3.304) 16.412 12.108 ( -8.276 12.281 -0.008) 14.809 12.822 ( 1.980 -10.507 -10.157) 14.748 12.859 ( -1.453 -10.695 -10.570) 15.107 13.436 ( 4.014 10.901 -4.865) 12.594 13.500 ( -1.971 10.310 -4.519) 11.428 13.930 ( 10.015 -1.182 -5.662) 11.565 13.980 ( 15.202 -1.492 -4.148) 15.828 14.170 ( -7.348 3.869 -9.409) 12.549 14.256 ( -3.858 -9.806 -3.790) 11.198 14.415 ( 1.369 -2.076 -0.010) 2.487 14.632 ( -14.524 2.736 -8.303) 16.952 14.900 ( 6.280 2.058 1.363) 6.748 15.049 ( -7.387 -2.394 2.427) 8.136 15.573 ( 10.360 5.729 10.860) 16.065 15.685 ( 2.504 6.906 2.523) 7.767 16.013 ( 10.807 8.573 -4.025) 14.370 16.303 ( -13.898 12.854 -12.691) 22.791 17.040 ( 26.239 5.924 15.689) 31.141 17.253 ( 20.099 -6.478 2.732) 21.293 17.620 ( -18.530 1.656 9.169) 20.740 17.835 ( -23.798 -6.384 2.372) 24.753 18.069 ( 7.118 -10.515 7.982) 14.998 18.224 ( -5.858 -20.080 4.292) 21.353 18.488 ( 7.002 -14.671 5.924) 17.302 18.672 ( -8.513 -6.398 2.939) 11.048 18.873 ( 1.087 -12.370 16.459) 20.618 18.880 ( -0.702 -12.366 15.310) 19.692 21.382 ( 5.658 10.576 -12.060) 17.009 21.402 ( 4.251 9.433 -9.270) 13.892 21.495 ( -3.383 5.936 -8.319) 10.765 21.542 ( -7.305 6.993 -13.914) 17.200 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 0.000 20.700 6.598) 21.726 2.531 ( 0.000 8.237 5.422) 9.861 2.683 ( 0.000 -0.410 4.846) 4.864 3.025 ( 0.000 -17.944 5.606) 18.800 3.348 ( 0.000 2.853 -5.056) 5.805 3.368 ( 0.000 2.058 1.049) 2.310 3.723 ( 0.000 5.529 0.089) 5.530 3.851 ( 0.000 -5.195 0.792) 5.255 4.065 ( 0.000 7.242 -7.877) 10.701 4.252 ( 0.000 -9.116 -11.507) 14.681 4.309 ( 0.000 9.535 -4.464) 10.528 4.502 ( 0.000 -9.762 -4.387) 10.702 7.093 ( 0.000 11.233 16.365) 19.850 7.288 ( 0.000 -8.395 17.370) 19.292 7.788 ( 0.000 3.388 20.912) 21.184 7.840 ( 0.000 -0.099 7.352) 7.353 8.105 ( 0.000 4.499 0.385) 4.515 8.217 ( 0.000 -5.296 -9.939) 11.262 8.774 ( 0.000 18.080 -0.356) 18.083 9.199 ( 0.000 -23.549 -0.262) 23.550 9.950 ( 0.000 9.735 2.182) 9.976 10.180 ( 0.000 -13.461 -1.262) 13.520 10.380 ( 0.000 2.475 -12.599) 12.840 10.446 ( 0.000 -4.252 -11.861) 12.600 11.400 ( 0.000 18.056 -6.471) 19.180 11.518 ( 0.000 4.466 14.499) 15.171 11.567 ( 0.000 -1.395 15.248) 15.311 11.694 ( 0.000 -10.243 -10.758) 14.854 12.422 ( 0.000 7.951 -7.492) 10.924 12.631 ( 0.000 -12.730 -4.560) 13.522 13.024 ( 0.000 6.954 -0.602) 6.980 13.106 ( 0.000 1.411 0.721) 1.584 13.221 ( 0.000 3.991 14.254) 14.802 13.246 ( 0.000 -2.593 6.153) 6.677 13.393 ( 0.000 -2.524 -0.872) 2.670 13.394 ( 0.000 -2.962 -3.185) 4.349 13.786 ( 0.000 3.077 -9.568) 10.051 13.877 ( 0.000 -4.877 -7.380) 8.846 14.184 ( 0.000 10.955 14.975) 18.554 14.416 ( 0.000 -10.423 16.093) 19.173 14.897 ( 0.000 4.824 -0.900) 4.907 14.996 ( 0.000 -4.085 3.005) 5.071 15.375 ( 0.000 6.061 -9.270) 11.075 15.518 ( 0.000 -7.363 -6.487) 9.813 16.283 ( 0.000 5.792 -14.770) 15.865 16.320 ( 0.000 23.068 -0.113) 23.069 16.414 ( 0.000 6.840 -4.564) 8.223 17.059 ( 0.000 -36.981 7.364) 37.707 17.469 ( 0.000 7.878 16.007) 17.841 17.672 ( 0.000 -10.635 7.127) 12.802 18.118 ( 0.000 3.711 -14.877) 15.333 18.156 ( 0.000 -0.469 -13.500) 13.508 18.571 ( 0.000 1.458 -5.621) 5.807 18.635 ( 0.000 -3.282 3.814) 5.032 18.922 ( 0.000 -1.208 -6.277) 6.392 19.015 ( 0.000 -9.245 0.968) 9.295 21.481 ( 0.000 9.511 2.935) 9.954 21.606 ( 0.000 -3.475 2.271) 4.151 21.658 ( 0.000 18.409 2.815) 18.623 21.975 ( 0.000 -13.514 -2.605) 13.763 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 5.019 18.451 7.227) 20.442 2.540 ( 0.840 9.396 5.255) 10.799 2.716 ( 3.202 -2.284 4.881) 6.269 3.015 ( -0.522 -16.850 4.554) 17.463 3.293 ( -4.808 3.116 -5.409) 7.879 3.359 ( -2.006 -2.920 -1.254) 3.758 3.694 ( -2.526 5.984 0.167) 6.498 3.829 ( -2.320 -6.365 1.510) 6.941 4.089 ( 2.455 9.121 -7.961) 12.353 4.262 ( 0.566 -6.906 -10.904) 12.919 4.301 ( -0.857 8.272 -3.780) 9.135 4.473 ( -2.789 -8.621 -3.857) 9.847 7.134 ( 4.506 10.414 16.300) 19.860 7.319 ( 4.230 -7.551 16.924) 19.008 7.816 ( 1.797 13.445 7.986) 15.741 7.998 ( 11.314 -4.487 6.029) 13.583 8.177 ( 7.404 2.072 5.410) 9.401 8.278 ( 7.698 -6.092 -0.660) 9.839 8.868 ( 8.609 15.474 2.106) 17.833 9.255 ( 5.327 -22.082 1.118) 22.743 9.892 ( -6.053 7.370 1.307) 9.627 10.020 ( -10.574 -4.852 -1.360) 11.713 10.446 ( 0.009 -2.186 -10.322) 10.551 10.485 ( 5.319 -6.788 -8.992) 12.459 11.312 ( -11.985 6.235 4.731) 14.314 11.357 ( -5.818 10.913 -4.380) 13.120 11.483 ( -7.689 3.841 9.752) 12.999 11.737 ( -1.711 -11.509 -3.047) 12.028 12.434 ( 0.847 8.385 -5.895) 10.285 12.617 ( -1.398 -9.715 -2.690) 10.177 12.933 ( -4.658 3.939 -7.375) 9.571 13.034 ( -11.025 -5.006 -7.931) 14.475 13.106 ( 1.979 8.889 5.547) 10.663 13.281 ( -1.344 -7.673 2.051) 8.055 13.450 ( 9.810 6.018 3.008) 11.895 13.520 ( 7.274 -1.972 2.144) 7.836 13.948 ( 8.148 4.790 -5.508) 10.939 14.065 ( 12.929 -5.865 -3.277) 14.570 14.264 ( 9.326 8.209 14.054) 18.759 14.457 ( 4.729 -9.111 13.930) 17.303 14.860 ( -2.498 7.572 -5.249) 9.546 15.022 ( 2.513 -7.672 3.636) 8.854 15.413 ( 3.568 7.042 -5.495) 9.619 15.545 ( 2.285 -5.631 -6.008) 8.545 16.114 ( -14.349 5.622 -11.902) 19.472 16.212 ( -9.052 -2.270 -5.169) 10.668 16.442 ( 4.912 28.603 6.292) 29.696 17.125 ( 4.886 -36.446 5.534) 37.186 17.581 ( 8.492 10.029 12.234) 17.955 17.747 ( 2.836 -1.349 -4.680) 5.636 18.031 ( -2.042 -3.453 2.412) 4.681 18.128 ( -3.641 -7.691 -14.405) 16.730 18.600 ( 1.847 3.210 -3.782) 5.293 18.646 ( 0.093 -0.453 5.212) 5.233 18.908 ( -2.845 -3.463 -2.998) 5.392 18.968 ( -3.259 -8.470 -0.858) 9.116 21.476 ( -0.315 9.375 1.270) 9.466 21.584 ( -1.884 2.172 0.853) 2.999 21.649 ( -0.730 11.897 1.173) 11.977 21.927 ( -4.303 -11.930 -3.949) 13.282 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 7.148 12.131 7.989) 16.189 2.574 ( 2.577 6.857 2.978) 7.908 2.814 ( 6.089 -0.972 6.377) 8.870 3.032 ( 2.680 -13.400 2.614) 13.913 3.167 ( -6.628 2.381 -7.019) 9.943 3.262 ( -6.851 -7.697 -4.568) 11.271 3.626 ( -3.971 5.715 0.664) 6.990 3.754 ( -4.717 -6.862 0.878) 8.372 4.144 ( 1.574 7.604 -6.963) 10.430 4.251 ( -2.013 -1.731 -8.261) 8.677 4.272 ( -1.826 4.526 -2.571) 5.516 4.388 ( -5.078 -6.178 -2.244) 8.306 7.309 ( 12.619 9.854 14.231) 21.421 7.495 ( 12.432 -7.934 16.616) 22.216 7.852 ( 2.603 21.712 2.669) 22.030 8.171 ( 5.198 -10.305 -3.456) 12.048 8.411 ( 14.025 7.078 8.683) 17.950 8.572 ( 17.496 -8.472 11.090) 22.380 9.110 ( 13.722 11.172 5.484) 18.525 9.411 ( 8.613 -16.367 3.045) 18.743 9.686 ( -11.572 4.862 0.706) 12.572 9.804 ( -10.822 -5.461 2.878) 12.459 10.440 ( -0.344 0.704 -7.877) 7.916 10.546 ( 0.047 -8.767 -6.689) 11.028 11.026 ( -14.106 11.499 -3.381) 18.510 11.218 ( -10.791 -8.362 2.351) 13.853 11.314 ( -4.405 14.302 -0.994) 14.998 11.572 ( -11.938 -10.629 0.338) 15.987 12.480 ( 3.068 7.419 -8.921) 12.001 12.609 ( 0.073 -5.447 -6.085) 8.167 12.743 ( -12.758 4.893 -9.512) 16.649 12.826 ( -7.222 -4.055 -12.507) 15.001 13.285 ( 11.136 4.435 2.152) 12.178 13.366 ( 9.583 -2.593 3.064) 10.390 13.620 ( 5.403 3.179 -1.196) 6.382 13.643 ( 4.657 -1.280 1.762) 5.141 14.014 ( 0.457 8.437 0.185) 8.452 14.238 ( 2.908 -11.160 3.751) 12.128 14.521 ( 9.542 4.555 1.522) 10.682 14.624 ( 8.394 -6.183 3.582) 11.023 14.879 ( 7.428 11.880 -2.495) 14.231 15.102 ( 5.107 -10.009 1.849) 11.388 15.501 ( 3.136 5.986 -2.247) 7.122 15.567 ( -3.163 -2.155 -9.697) 10.425 15.830 ( -6.442 11.301 -2.944) 13.337 16.096 ( 1.013 -13.894 1.190) 13.982 16.606 ( 10.606 29.937 10.580) 33.476 17.243 ( 6.486 -28.913 5.255) 30.094 17.540 ( -10.983 9.792 -12.866) 19.546 17.862 ( 0.540 -13.044 -5.983) 14.361 17.956 ( 2.476 7.309 7.832) 10.995 18.224 ( 10.111 -14.329 9.724) 20.053 18.556 ( -7.207 1.968 6.568) 9.948 18.621 ( -4.504 -2.646 4.267) 6.745 18.779 ( -6.403 1.553 3.123) 7.291 18.913 ( -3.361 -9.549 -1.363) 10.215 21.473 ( 0.209 8.798 -3.041) 9.311 21.544 ( -1.552 6.675 -3.240) 7.580 21.631 ( -1.001 5.138 -2.518) 5.809 21.818 ( -5.579 -8.168 -7.292) 12.289 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 6.920 5.296 5.404) 10.253 2.644 ( 3.954 1.315 0.579) 4.207 2.941 ( 2.165 3.246 6.369) 7.469 3.027 ( -3.233 -3.224 -0.831) 4.641 3.095 ( -3.497 -2.390 -8.380) 9.390 3.175 ( 6.030 -10.175 -2.391) 12.067 3.530 ( -5.185 4.585 1.110) 7.009 3.643 ( -5.704 -6.358 0.240) 8.545 4.120 ( -3.296 6.087 -3.983) 7.987 4.179 ( -4.633 1.452 -5.966) 7.692 4.233 ( -2.051 -0.018 -1.308) 2.432 4.275 ( -5.255 -5.361 -0.033) 7.507 7.649 ( 18.981 8.355 12.093) 24.007 7.802 ( 15.483 -6.527 17.373) 24.170 7.950 ( 6.903 22.581 5.354) 24.212 8.265 ( 3.802 -9.807 1.611) 10.640 8.667 ( 9.311 10.877 6.003) 15.525 8.901 ( 12.471 -11.648 8.888) 19.240 9.279 ( -8.517 9.085 -2.799) 12.764 9.412 ( -1.970 1.087 4.715) 5.225 9.593 ( -2.745 -2.711 3.835) 5.440 9.738 ( 14.332 -13.933 1.831) 20.072 10.403 ( -14.288 6.066 -13.589) 20.630 10.442 ( -1.000 0.087 -6.677) 6.752 10.845 ( -0.062 0.370 -0.685) 0.781 10.958 ( -11.165 -8.929 -1.018) 14.332 11.259 ( -3.817 4.940 1.995) 6.554 11.345 ( -8.491 -3.254 0.007) 9.093 12.466 ( -9.583 11.556 -8.524) 17.264 12.488 ( -3.870 9.585 -6.036) 11.970 12.632 ( -1.725 -7.228 -8.745) 11.476 12.699 ( -3.617 -10.238 -10.600) 15.174 13.500 ( 8.916 7.272 -2.477) 11.769 13.620 ( 12.750 -3.450 -1.603) 13.306 13.696 ( 2.876 5.032 -4.372) 7.260 13.738 ( 5.775 0.845 2.158) 6.223 14.046 ( 3.389 1.880 -1.140) 4.040 14.222 ( -3.106 -12.037 3.478) 12.908 14.557 ( -5.852 6.049 -4.120) 9.371 14.684 ( -2.828 -6.384 -2.052) 7.277 15.087 ( 7.156 11.947 -1.245) 13.982 15.245 ( 5.673 -0.147 2.105) 6.052 15.367 ( -4.762 3.538 -4.294) 7.324 15.566 ( 1.536 -10.955 -1.755) 11.200 15.980 ( 16.236 17.803 -1.140) 24.122 16.295 ( 16.445 -12.587 1.634) 20.774 16.875 ( 14.576 23.573 13.047) 30.633 17.250 ( -12.333 17.947 -10.914) 24.358 17.428 ( 7.900 -30.580 7.302) 32.417 17.672 ( -11.013 -22.839 -8.891) 26.870 18.184 ( 11.758 11.322 11.984) 20.250 18.291 ( -16.394 1.395 12.742) 20.811 18.331 ( -9.938 -3.715 6.684) 12.539 18.490 ( 2.042 -14.327 14.147) 20.238 18.713 ( -1.619 0.892 5.953) 6.234 18.807 ( -6.689 -7.628 4.141) 10.958 21.492 ( 1.620 7.346 -8.006) 10.986 21.530 ( 0.230 6.304 -7.713) 9.964 21.608 ( -1.203 2.878 -6.597) 7.297 21.708 ( -4.840 -3.724 -10.637) 12.265 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 7.225 0.410 1.339) 7.359 2.736 ( 4.939 -0.359 -1.716) 5.241 2.854 ( -5.675 -0.521 -1.711) 5.950 2.890 ( -8.014 -3.909 -2.763) 9.335 3.218 ( 9.377 4.351 0.317) 10.342 3.342 ( 6.721 -4.745 -1.934) 8.451 3.408 ( -5.370 1.365 2.791) 6.204 3.516 ( -6.718 -6.637 0.303) 9.448 4.061 ( -1.301 6.350 -1.857) 6.743 4.085 ( -3.466 5.195 -3.216) 7.024 4.187 ( -1.689 -4.925 -0.071) 5.207 4.192 ( -2.288 -6.417 0.575) 6.837 8.034 ( 14.558 7.365 11.954) 20.226 8.056 ( 8.023 6.214 16.258) 19.165 8.110 ( 6.727 9.951 12.618) 17.421 8.283 ( -3.956 -4.789 10.093) 11.851 8.821 ( 7.431 10.179 3.105) 12.980 9.019 ( -9.764 5.223 1.361) 11.157 9.083 ( 3.443 -12.686 3.559) 13.618 9.221 ( -9.912 -10.772 -0.147) 14.639 9.768 ( 11.892 12.528 -6.959) 18.623 10.040 ( -4.277 5.145 -13.299) 14.887 10.072 ( 3.353 -5.689 -11.059) 12.881 10.338 ( -10.633 -12.981 -13.939) 21.814 10.883 ( 6.345 2.118 4.799) 8.232 10.979 ( 9.540 -5.870 5.520) 12.487 11.094 ( -10.659 4.801 6.148) 13.208 11.190 ( -8.725 -3.424 2.870) 9.802 12.340 ( -1.851 14.481 -6.015) 15.789 12.377 ( -4.702 14.065 -4.751) 15.573 12.604 ( -0.122 -12.039 -8.543) 14.763 12.638 ( -2.839 -12.076 -8.833) 15.229 13.647 ( 5.188 10.062 -4.735) 12.271 13.720 ( -1.444 11.742 -5.054) 12.865 13.825 ( 8.788 -7.943 -7.048) 13.784 13.933 ( 5.862 -8.133 -5.261) 11.322 14.092 ( 2.483 3.010 -2.242) 4.501 14.252 ( 8.726 -7.822 3.350) 12.188 14.335 ( -12.766 4.426 -2.425) 13.727 14.511 ( -12.326 -10.557 -0.770) 16.247 15.171 ( 2.280 19.154 -2.541) 19.456 15.211 ( -1.894 16.805 -1.094) 16.946 15.490 ( 6.823 -12.015 6.152) 15.125 15.574 ( -1.410 -16.148 2.342) 16.378 16.376 ( 19.323 24.307 -8.131) 32.099 16.616 ( 5.183 12.293 -8.444) 15.789 16.995 ( -0.983 -8.968 -5.936) 10.799 17.143 ( -1.167 -8.467 1.103) 8.618 17.509 ( 5.542 -3.777 8.176) 10.575 17.667 ( 11.131 -14.461 11.970) 21.824 17.882 ( -19.511 3.267 15.487) 25.124 18.008 ( -16.814 -7.507 12.110) 22.039 18.417 ( 10.154 5.782 10.030) 15.399 18.573 ( -0.002 -5.494 8.011) 9.714 18.654 ( -4.031 -7.296 11.185) 13.950 18.681 ( -2.696 -6.961 10.775) 13.108 21.540 ( 2.780 4.897 -11.290) 12.616 21.548 ( 1.259 4.548 -10.135) 11.180 21.582 ( -1.211 2.814 -9.566) 10.045 21.617 ( -3.855 0.493 -12.161) 12.767 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 0.000 0.000 29.670) 29.670 2.176 ( 0.000 0.000 28.662) 28.662 2.923 ( 0.000 0.000 -10.730) 10.730 3.081 ( 0.000 0.000 12.571) 12.571 3.127 ( 0.000 0.000 2.774) 2.774 3.585 ( 0.000 0.000 1.482) 1.482 3.769 ( 0.000 0.000 2.058) 2.058 3.897 ( 0.000 0.000 -6.212) 6.212 3.900 ( 0.000 0.000 -5.626) 5.626 4.094 ( 0.000 0.000 3.662) 3.662 4.117 ( 0.000 0.000 -17.714) 17.714 4.780 ( 0.000 0.000 -4.808) 4.808 6.462 ( 0.000 0.000 13.122) 13.122 7.647 ( 0.000 0.000 8.082) 8.082 7.915 ( 0.000 0.000 -7.671) 7.671 8.012 ( 0.000 0.000 -5.724) 5.724 8.330 ( 0.000 0.000 9.057) 9.057 8.514 ( 0.000 0.000 17.816) 17.816 8.641 ( 0.000 0.000 31.772) 31.772 9.604 ( 0.000 0.000 -6.998) 6.998 9.752 ( 0.000 0.000 -12.448) 12.448 10.044 ( 0.000 0.000 0.395) 0.395 10.338 ( 0.000 0.000 -8.285) 8.285 10.936 ( 0.000 0.000 -13.065) 13.065 10.945 ( 0.000 0.000 -16.003) 16.003 11.100 ( 0.000 0.000 15.308) 15.308 11.242 ( 0.000 0.000 -16.256) 16.256 12.168 ( 0.000 0.000 5.766) 5.766 12.322 ( 0.000 0.000 -1.933) 1.933 12.636 ( 0.000 0.000 -10.909) 10.909 12.801 ( 0.000 0.000 16.278) 16.278 12.906 ( 0.000 0.000 3.833) 3.833 13.292 ( 0.000 0.000 -3.909) 3.909 13.343 ( 0.000 0.000 5.538) 5.538 13.699 ( 0.000 0.000 -13.576) 13.576 13.712 ( 0.000 0.000 2.161) 2.161 13.768 ( 0.000 0.000 -0.911) 0.911 13.895 ( 0.000 0.000 7.263) 7.263 13.990 ( 0.000 0.000 12.095) 12.095 14.096 ( 0.000 0.000 4.184) 4.184 14.802 ( 0.000 0.000 14.568) 14.568 14.886 ( 0.000 0.000 -22.550) 22.550 15.429 ( 0.000 0.000 28.067) 28.067 15.562 ( 0.000 0.000 -12.165) 12.165 15.678 ( 0.000 0.000 -18.057) 18.057 15.844 ( 0.000 0.000 -4.763) 4.763 16.219 ( 0.000 0.000 15.888) 15.888 16.975 ( 0.000 0.000 -32.653) 32.653 17.592 ( 0.000 0.000 -18.939) 18.939 17.955 ( 0.000 0.000 19.932) 19.932 18.280 ( 0.000 0.000 -13.890) 13.890 18.652 ( 0.000 0.000 10.908) 10.908 19.019 ( 0.000 0.000 4.157) 4.157 19.034 ( 0.000 0.000 0.985) 0.985 19.375 ( 0.000 0.000 -3.912) 3.912 19.384 ( 0.000 0.000 -14.216) 14.216 20.934 ( 0.000 0.000 10.248) 10.248 21.106 ( 0.000 0.000 17.340) 17.340 21.625 ( 0.000 0.000 1.357) 1.357 21.946 ( 0.000 0.000 -11.266) 11.266 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 2.506 0.000 25.237) 25.361 2.293 ( 10.557 0.000 25.255) 27.373 2.932 ( 1.013 0.000 -10.593) 10.641 3.153 ( 2.344 0.000 2.934) 3.756 3.250 ( 11.163 0.000 3.034) 11.568 3.537 ( -0.378 0.000 10.272) 10.279 3.759 ( -5.281 0.000 2.169) 5.710 3.846 ( -4.634 0.000 -6.206) 7.745 3.857 ( -0.366 0.000 -9.913) 9.920 4.052 ( -6.105 0.000 -16.746) 17.824 4.129 ( 3.322 0.000 6.390) 7.202 4.743 ( -3.136 0.000 -3.550) 4.737 6.525 ( 5.872 0.000 13.018) 14.281 7.436 ( -11.216 0.000 16.900) 20.283 7.946 ( 2.209 0.000 -6.740) 7.093 8.097 ( 6.417 0.000 -8.447) 10.608 8.443 ( -0.995 0.000 22.955) 22.977 8.597 ( 17.954 0.000 2.278) 18.098 8.891 ( 17.806 0.000 23.179) 29.229 9.551 ( -4.877 0.000 -7.082) 8.599 9.727 ( -2.330 0.000 -8.869) 9.170 9.986 ( -3.092 0.000 2.338) 3.877 10.496 ( 11.153 0.000 -8.157) 13.818 10.725 ( -14.715 0.000 -13.468) 19.948 10.849 ( -6.320 0.000 -5.058) 8.095 11.130 ( 0.692 0.000 1.253) 1.432 11.405 ( 10.583 0.000 -11.592) 15.696 12.118 ( -4.702 0.000 6.576) 8.084 12.239 ( -8.191 0.000 -0.501) 8.206 12.425 ( -17.792 0.000 -9.402) 20.123 12.850 ( -2.210 0.000 0.170) 2.216 12.860 ( 1.958 0.000 5.692) 6.019 13.179 ( -11.173 0.000 6.351) 12.852 13.206 ( -3.964 0.000 0.513) 3.997 13.570 ( -4.019 0.000 -5.079) 6.477 13.699 ( -2.413 0.000 4.279) 4.912 13.968 ( 8.537 0.000 -13.685) 16.129 14.047 ( 13.740 0.000 14.049) 19.652 14.131 ( 5.364 0.000 -4.348) 6.905 14.267 ( 19.085 0.000 10.889) 21.973 14.701 ( -7.232 0.000 15.298) 16.922 14.855 ( -2.566 0.000 -20.645) 20.804 15.531 ( -11.890 0.000 -14.017) 18.381 15.586 ( 7.640 0.000 -3.087) 8.240 15.668 ( 14.566 0.000 19.678) 24.483 15.986 ( 11.220 0.000 -10.871) 15.622 16.225 ( 1.608 0.000 20.892) 20.954 16.745 ( -17.187 0.000 -28.674) 33.430 17.772 ( 12.211 0.000 -19.584) 23.079 17.880 ( -4.187 0.000 20.551) 20.973 18.346 ( 4.535 0.000 -13.856) 14.579 18.825 ( 14.175 0.000 11.438) 18.214 19.042 ( 2.126 0.000 4.164) 4.675 19.109 ( 4.392 0.000 -0.886) 4.481 19.320 ( -4.445 0.000 -11.233) 12.081 19.384 ( 0.765 0.000 -3.486) 3.569 20.863 ( -6.497 0.000 7.873) 10.208 21.074 ( -2.850 0.000 15.511) 15.771 21.588 ( -3.486 0.000 0.288) 3.498 21.815 ( -11.665 0.000 -11.124) 16.118 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 5.814 0.000 15.300) 16.367 2.573 ( 15.038 0.000 17.803) 23.305 2.966 ( 2.003 0.000 -11.832) 12.000 3.216 ( 3.370 0.000 3.338) 4.744 3.248 ( -7.222 0.000 -3.057) 7.842 3.573 ( -9.466 0.000 1.946) 9.664 3.720 ( -6.970 0.000 -6.056) 9.234 3.759 ( 12.052 0.000 1.804) 12.187 3.863 ( -0.419 0.000 -6.086) 6.100 3.876 ( -10.154 0.000 -14.313) 17.549 4.244 ( 8.955 0.000 13.050) 15.827 4.685 ( -1.320 0.000 0.492) 1.409 6.695 ( 10.091 0.000 12.366) 15.961 7.331 ( 1.819 0.000 17.832) 17.924 7.960 ( -2.010 0.000 -4.538) 4.963 8.262 ( 8.841 0.000 -5.482) 10.403 8.513 ( 7.471 0.000 20.602) 21.915 8.931 ( 13.889 0.000 -4.517) 14.606 9.314 ( 21.683 0.000 16.550) 27.277 9.414 ( -7.774 0.000 -8.129) 11.248 9.659 ( -4.013 0.000 0.152) 4.016 9.936 ( -3.021 0.000 4.087) 5.082 10.316 ( -19.214 0.000 -2.671) 19.398 10.748 ( -2.647 0.000 -2.647) 3.743 10.797 ( 12.678 0.000 -9.064) 15.585 11.103 ( -3.244 0.000 -7.565) 8.231 11.584 ( 4.723 0.000 -2.575) 5.380 11.931 ( -27.643 0.000 -16.816) 32.357 11.958 ( -11.444 0.000 10.845) 15.767 12.057 ( -5.368 0.000 -6.130) 8.148 12.851 ( 0.401 0.000 -4.375) 4.393 12.893 ( 2.617 0.000 4.342) 5.070 13.018 ( -2.515 0.000 0.469) 2.558 13.193 ( 1.221 0.000 3.500) 3.707 13.540 ( 0.567 0.000 -2.228) 2.299 13.617 ( -3.833 0.000 4.255) 5.727 14.090 ( 3.980 0.000 -14.350) 14.891 14.211 ( 2.572 0.000 -11.924) 12.199 14.300 ( 3.837 0.000 7.926) 8.806 14.644 ( 7.413 0.000 -6.996) 10.193 14.649 ( 7.892 0.000 18.195) 19.833 14.836 ( 4.623 0.000 -10.146) 11.150 15.258 ( -9.579 0.000 -4.508) 10.586 15.689 ( 2.730 0.000 -7.360) 7.850 16.110 ( 25.041 0.000 25.770) 35.933 16.234 ( 7.644 0.000 8.386) 11.347 16.353 ( 14.571 0.000 6.811) 16.084 16.375 ( -16.770 0.000 -21.762) 27.474 17.848 ( 1.776 0.000 19.934) 20.013 17.975 ( 5.734 0.000 -14.597) 15.683 18.462 ( 6.197 0.000 -12.494) 13.946 18.925 ( -10.424 0.000 -4.570) 11.382 19.106 ( 3.930 0.000 4.172) 5.732 19.226 ( 10.067 0.000 9.201) 13.638 19.327 ( 4.714 0.000 3.444) 5.838 19.404 ( 0.977 0.000 -2.103) 2.318 20.691 ( -8.884 0.000 -0.111) 8.884 21.005 ( -3.123 0.000 9.817) 10.301 21.484 ( -6.250 0.000 -2.568) 6.757 21.513 ( -16.056 0.000 -12.928) 20.614 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 9.667 0.000 4.356) 10.603 2.874 ( 12.994 0.000 10.147) 16.486 2.960 ( -5.615 0.000 -12.276) 13.499 3.124 ( -1.299 0.000 -3.724) 3.944 3.274 ( 1.554 0.000 3.674) 3.989 3.391 ( -7.554 0.000 -1.257) 7.658 3.577 ( -6.209 0.000 -6.007) 8.639 3.666 ( -8.830 0.000 -10.764) 13.923 3.792 ( -3.285 0.000 -5.927) 6.777 3.861 ( -2.841 0.000 -0.307) 2.858 4.517 ( 14.130 0.000 15.106) 20.684 4.709 ( 3.037 0.000 5.616) 6.384 6.940 ( 13.304 0.000 10.420) 16.899 7.508 ( 14.706 0.000 11.435) 18.628 7.836 ( -9.887 0.000 -2.055) 10.099 8.421 ( 4.648 0.000 -0.758) 4.709 8.741 ( 13.902 0.000 18.092) 22.817 9.182 ( 9.051 0.000 -13.072) 15.900 9.241 ( -8.494 0.000 -13.595) 16.030 9.549 ( -6.135 0.000 9.345) 11.179 9.751 ( -12.898 0.000 5.456) 14.005 9.759 ( 19.386 0.000 7.831) 20.908 10.039 ( -6.147 0.000 15.385) 16.567 10.750 ( 2.154 0.000 -5.823) 6.208 10.976 ( -10.221 0.000 -10.772) 14.849 11.024 ( 8.674 0.000 -3.475) 9.344 11.383 ( -21.335 0.000 -16.393) 26.906 11.560 ( -6.695 0.000 7.077) 9.742 11.745 ( -5.920 0.000 9.070) 10.831 11.996 ( -3.160 0.000 -9.912) 10.404 12.851 ( 1.017 0.000 -6.408) 6.488 12.979 ( 5.194 0.000 4.396) 6.805 13.016 ( -0.496 0.000 -8.255) 8.270 13.210 ( -0.026 0.000 2.309) 2.309 13.573 ( 2.532 0.000 -1.173) 2.791 13.636 ( 7.222 0.000 -1.751) 7.432 14.057 ( -8.357 0.000 -2.991) 8.876 14.251 ( 1.449 0.000 -14.292) 14.366 14.369 ( 9.176 0.000 -6.682) 11.352 14.578 ( -8.137 0.000 -15.083) 17.138 14.719 ( -14.192 0.000 -17.856) 22.809 14.919 ( 10.894 0.000 11.256) 15.665 15.445 ( 20.338 0.000 17.521) 26.844 15.680 ( -2.445 0.000 -5.025) 5.589 16.091 ( -9.964 0.000 -9.194) 13.558 16.289 ( -1.624 0.000 20.901) 20.964 16.672 ( 27.875 0.000 22.630) 35.904 16.783 ( 24.267 0.000 -2.353) 24.380 17.966 ( 8.390 0.000 15.430) 17.564 17.972 ( -6.437 0.000 -4.553) 7.885 18.438 ( -12.962 0.000 -13.512) 18.724 18.794 ( 4.638 0.000 0.897) 4.724 19.200 ( 4.920 0.000 4.108) 6.410 19.210 ( -7.556 0.000 8.159) 11.120 19.413 ( -0.401 0.000 0.378) 0.551 19.493 ( 4.044 0.000 20.461) 20.857 20.563 ( -1.350 0.000 -13.447) 13.515 20.971 ( 0.417 0.000 1.156) 1.229 21.185 ( -14.847 0.000 -16.782) 22.407 21.335 ( -7.803 0.000 -6.059) 9.879 ======================= Grid point 193 (65/120) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 12.618 0.000 -4.352) 13.348 2.751 ( -12.401 0.000 -9.083) 15.371 3.098 ( 8.527 0.000 4.039) 9.436 3.170 ( 3.714 0.000 -6.228) 7.251 3.242 ( -4.986 0.000 2.344) 5.510 3.260 ( -5.085 0.000 -3.902) 6.409 3.499 ( -0.410 0.000 -5.420) 5.436 3.538 ( -3.693 0.000 -5.904) 6.964 3.742 ( -0.592 0.000 -1.472) 1.587 3.778 ( -3.680 0.000 -0.326) 3.694 4.730 ( 5.637 0.000 12.604) 13.808 4.767 ( 1.405 0.000 9.653) 9.754 7.243 ( 15.520 0.000 6.772) 16.934 7.568 ( -14.966 0.000 2.065) 15.108 7.911 ( 22.436 0.000 3.851) 22.764 8.338 ( -14.616 0.000 1.465) 14.689 9.063 ( 15.974 0.000 16.942) 23.285 9.120 ( -0.587 0.000 -18.731) 18.740 9.200 ( -5.620 0.000 -18.950) 19.765 9.363 ( -11.941 0.000 15.381) 19.472 9.710 ( 8.471 0.000 19.556) 21.311 9.908 ( -8.188 0.000 16.838) 18.724 10.142 ( 18.115 0.000 -4.721) 18.720 10.549 ( -20.393 0.000 -14.075) 24.778 10.928 ( 7.366 0.000 -5.905) 9.440 11.101 ( -8.910 0.000 -9.285) 12.868 11.182 ( 7.644 0.000 4.961) 9.113 11.368 ( -9.900 0.000 8.766) 13.223 11.742 ( 4.333 0.000 2.951) 5.242 11.877 ( -7.417 0.000 -3.979) 8.417 12.906 ( 3.628 0.000 -11.377) 11.942 12.977 ( -2.881 0.000 -12.358) 12.690 13.091 ( 5.153 0.000 3.103) 6.015 13.180 ( -3.015 0.000 2.138) 3.696 13.664 ( 6.582 0.000 -0.404) 6.595 13.845 ( -10.318 0.000 0.337) 10.323 13.891 ( 15.501 0.000 -9.238) 18.045 14.208 ( -11.099 0.000 -15.492) 19.057 14.398 ( -1.524 0.000 -11.479) 11.580 14.491 ( -7.583 0.000 -13.728) 15.683 14.642 ( 15.191 0.000 -11.167) 18.854 14.929 ( -9.766 0.000 -6.306) 11.625 15.724 ( 7.624 0.000 4.421) 8.813 15.857 ( 17.724 0.000 19.496) 26.348 15.910 ( -8.692 0.000 2.937) 9.174 16.158 ( -10.751 0.000 20.880) 23.486 17.241 ( 25.786 0.000 16.102) 30.401 17.324 ( 26.812 0.000 -2.888) 26.968 17.710 ( -18.257 0.000 6.759) 19.468 17.857 ( -22.073 0.000 -2.997) 22.276 18.413 ( 15.504 0.000 6.089) 16.657 18.772 ( -13.938 0.000 2.271) 14.122 19.173 ( 9.501 0.000 15.535) 18.210 19.301 ( 4.510 0.000 3.853) 5.931 19.379 ( -2.816 0.000 2.777) 3.955 19.414 ( -10.074 0.000 19.168) 21.654 20.660 ( 9.396 0.000 -19.791) 21.908 20.898 ( -12.724 0.000 -19.384) 23.186 21.031 ( 5.153 0.000 -6.037) 7.937 21.170 ( -7.692 0.000 -8.097) 11.168 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 0.000 12.889 26.387) 29.367 2.154 ( 0.000 -0.423 26.542) 26.546 2.888 ( 0.000 -3.239 -9.001) 9.566 3.167 ( 0.000 3.553 1.782) 3.975 3.210 ( 0.000 10.895 6.609) 12.743 3.554 ( 0.000 -4.653 6.973) 8.383 3.717 ( 0.000 -4.522 0.248) 4.529 3.746 ( 0.000 -5.980 -10.653) 12.217 3.983 ( 0.000 1.451 -3.610) 3.891 4.103 ( 0.000 0.532 1.533) 1.623 4.114 ( 0.000 -0.679 -16.541) 16.554 4.723 ( 0.000 -5.506 -5.262) 7.617 6.622 ( 0.000 15.150 10.597) 18.489 7.627 ( 0.000 -1.702 6.092) 6.325 7.947 ( 0.000 -5.553 1.522) 5.758 7.967 ( 0.000 4.459 -6.174) 7.616 8.321 ( 0.000 0.951 7.354) 7.415 8.531 ( 0.000 1.064 17.192) 17.224 8.587 ( 0.000 -5.311 31.807) 32.247 9.624 ( 0.000 1.317 -6.813) 6.939 9.748 ( 0.000 -1.223 -9.051) 9.133 10.084 ( 0.000 4.746 -0.819) 4.816 10.319 ( 0.000 -2.027 -8.499) 8.737 10.686 ( 0.000 -12.817 -10.946) 16.855 11.041 ( 0.000 -3.036 6.410) 7.093 11.185 ( 0.000 11.607 -15.741) 19.558 11.358 ( 0.000 9.265 -6.561) 11.353 12.100 ( 0.000 -5.801 6.994) 9.087 12.253 ( 0.000 -5.618 -2.455) 6.131 12.697 ( 0.000 3.834 -15.150) 15.627 12.839 ( 0.000 3.394 7.646) 8.365 13.054 ( 0.000 13.855 12.032) 18.350 13.157 ( 0.000 -8.578 1.626) 8.731 13.373 ( 0.000 -0.183 2.173) 2.181 13.624 ( 0.000 -7.483 -4.044) 8.505 13.709 ( 0.000 -6.152 3.292) 6.977 13.745 ( 0.000 -9.373 -2.139) 9.614 13.812 ( 0.000 7.170 -3.524) 7.989 14.120 ( 0.000 8.177 14.380) 16.542 14.141 ( 0.000 6.951 -0.396) 6.962 14.855 ( 0.000 -2.816 -21.712) 21.894 14.968 ( 0.000 13.904 13.863) 19.634 15.448 ( 0.000 1.735 23.857) 23.920 15.493 ( 0.000 -5.401 -11.035) 12.286 15.735 ( 0.000 5.636 -14.017) 15.108 15.842 ( 0.000 -0.355 0.168) 0.393 16.269 ( 0.000 4.672 9.770) 10.830 17.061 ( 0.000 8.324 -31.299) 32.387 17.629 ( 0.000 3.552 -18.384) 18.724 17.909 ( 0.000 -4.665 19.736) 20.280 18.254 ( 0.000 -2.944 -11.883) 12.243 18.486 ( 0.000 -17.876 6.767) 19.113 18.835 ( 0.000 -14.393 5.223) 15.312 18.992 ( 0.000 -4.291 -1.076) 4.424 19.191 ( 0.000 -15.956 -0.053) 15.956 19.335 ( 0.000 -5.263 -9.213) 10.611 21.073 ( 0.000 12.336 8.567) 15.019 21.209 ( 0.000 9.754 14.337) 17.341 21.639 ( 0.000 1.388 1.307) 1.907 21.989 ( 0.000 2.923 -11.175) 11.551 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.11 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 1.742 11.327 21.787) 24.617 2.278 ( 10.586 -0.007 24.246) 26.456 2.905 ( 1.623 -2.623 -9.222) 9.724 3.151 ( -0.945 0.321 0.813) 1.288 3.342 ( 6.661 6.626 -0.396) 9.404 3.537 ( 2.430 -1.516 13.556) 13.855 3.675 ( -4.178 -4.694 -1.610) 6.487 3.742 ( -0.937 -5.838 -9.195) 10.932 3.927 ( -4.785 2.094 -6.532) 8.364 4.067 ( -3.247 0.681 -13.214) 13.625 4.134 ( 2.292 0.286 2.784) 3.617 4.685 ( -3.288 -5.583 -4.084) 7.658 6.691 ( 6.361 15.713 10.784) 20.091 7.456 ( -9.174 2.194 16.118) 18.675 7.983 ( 2.949 2.058 -5.085) 6.228 8.069 ( 7.270 -1.393 -5.373) 9.147 8.386 ( -1.567 -4.536 20.122) 20.686 8.579 ( 16.249 -1.804 6.902) 17.746 8.874 ( 17.898 -1.388 21.808) 28.246 9.564 ( -5.895 1.949 -6.303) 8.848 9.754 ( 0.679 -0.065 -7.284) 7.315 9.995 ( -4.771 1.981 2.107) 5.579 10.473 ( 10.562 -2.621 -7.646) 13.300 10.675 ( -4.024 -3.361 -9.781) 11.098 10.899 ( -13.086 0.478 -13.943) 19.128 11.028 ( -3.248 -2.099 6.581) 7.633 11.562 ( 10.536 11.336 -9.625) 18.225 11.998 ( -8.354 -9.714 5.989) 14.142 12.210 ( -6.443 -2.348 -0.645) 6.888 12.527 ( -14.830 6.595 -14.604) 21.833 12.799 ( -2.099 -0.917 0.633) 2.376 13.025 ( -4.874 9.799 4.418) 11.802 13.081 ( -7.425 -5.993 4.691) 10.633 13.230 ( -1.950 2.274 4.624) 5.510 13.574 ( -3.005 -6.801 1.870) 7.666 13.704 ( 1.447 4.726 -2.127) 5.381 13.935 ( 14.040 -7.612 9.702) 18.686 14.005 ( 8.738 3.292 -9.351) 13.214 14.120 ( 1.249 1.256 -7.541) 7.747 14.356 ( 17.643 6.728 13.494) 23.209 14.778 ( -5.058 -1.152 -9.147) 10.515 14.938 ( -2.376 14.532 3.857) 15.222 15.487 ( 2.364 -7.702 -10.644) 13.349 15.558 ( -12.321 2.784 -12.857) 18.024 15.664 ( 15.246 -1.287 24.376) 28.780 16.002 ( 10.797 1.380 -1.572) 10.998 16.282 ( 2.108 5.419 11.609) 12.984 16.846 ( -15.470 9.586 -26.179) 31.883 17.803 ( 11.606 2.888 -19.314) 22.717 17.863 ( -2.137 -1.519 19.883) 20.055 18.320 ( 4.417 -2.771 -13.891) 14.837 18.609 ( 9.882 -23.095 7.604) 26.246 18.870 ( 3.402 -11.790 5.509) 13.451 19.063 ( 4.224 -6.371 -3.617) 8.456 19.206 ( 1.928 -14.647 2.430) 14.972 19.275 ( -4.505 -5.002 -6.121) 9.099 21.013 ( -5.437 13.202 6.280) 15.598 21.173 ( -3.184 9.403 12.657) 16.086 21.604 ( -3.317 1.588 0.179) 3.682 21.869 ( -10.674 3.948 -11.168) 15.945 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.22 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 4.681 9.682 12.959) 16.840 2.553 ( 14.555 -1.398 17.686) 22.948 2.953 ( 2.727 -1.294 -10.492) 10.918 3.118 ( -2.767 -4.878 -0.074) 5.608 3.311 ( -4.685 0.125 0.294) 4.695 3.521 ( -7.399 -3.397 0.094) 8.142 3.661 ( -4.770 -6.533 -3.391) 8.771 3.797 ( 9.112 3.380 -1.972) 9.917 3.809 ( -5.233 0.428 -7.475) 9.135 3.981 ( -4.781 4.723 -11.208) 13.069 4.228 ( 7.687 -1.444 10.311) 12.942 4.620 ( -1.907 -6.087 -0.405) 6.391 6.873 ( 10.783 17.134 10.948) 23.015 7.377 ( 2.382 4.837 17.946) 18.739 8.027 ( 0.198 5.536 -3.083) 6.340 8.247 ( 9.218 -0.501 -3.705) 9.948 8.439 ( 7.043 -6.916 18.689) 21.136 8.925 ( 15.576 -0.769 -0.848) 15.618 9.236 ( 10.800 -5.366 7.277) 14.085 9.440 ( -0.328 2.257 3.189) 3.920 9.748 ( -1.755 5.794 -1.263) 6.184 9.936 ( -1.391 0.093 5.593) 5.765 10.344 ( -21.998 4.215 -5.697) 23.111 10.658 ( 5.819 -9.103 -6.231) 12.472 10.856 ( 4.197 5.256 -6.694) 9.489 10.967 ( -1.464 -9.998 -3.660) 10.747 11.668 ( -7.227 0.441 5.770) 9.258 11.823 ( -3.320 -2.126 -8.887) 9.722 11.973 ( -15.869 -0.476 -1.412) 15.939 12.155 ( -14.886 7.779 -13.936) 21.825 12.805 ( 0.918 -4.468 -6.214) 7.708 12.885 ( -4.452 -7.779 1.539) 9.094 13.030 ( 1.489 10.154 4.566) 11.232 13.276 ( 3.881 5.996 3.487) 7.948 13.532 ( -0.963 -3.686 3.983) 5.512 13.712 ( -0.206 11.569 -1.591) 11.679 14.045 ( -2.207 -5.869 -7.510) 9.784 14.159 ( 3.962 4.035 -8.194) 9.956 14.291 ( 13.650 -7.399 0.583) 15.537 14.705 ( 9.562 6.065 -0.658) 11.343 14.731 ( 2.087 -0.489 -4.448) 4.937 14.900 ( -1.336 14.475 2.062) 14.682 15.306 ( -5.689 3.999 -1.527) 7.120 15.552 ( 3.142 -11.832 -5.427) 13.391 16.015 ( 13.982 -10.208 16.120) 23.655 16.269 ( 14.042 6.365 14.698) 21.301 16.322 ( -1.250 2.051 -12.534) 12.762 16.613 ( 0.585 14.350 -1.420) 14.432 17.865 ( 2.732 2.218 18.336) 18.671 17.990 ( 4.954 0.716 -14.843) 15.664 18.430 ( 5.795 -3.032 -12.125) 13.777 18.778 ( 5.054 -27.311 3.647) 28.013 18.860 ( -7.945 -6.740 -2.344) 10.679 19.099 ( 0.235 -14.286 -1.082) 14.329 19.256 ( 6.002 -7.084 9.391) 13.206 19.300 ( 4.520 -8.386 5.404) 10.952 20.872 ( -7.160 15.387 -0.764) 16.989 21.095 ( -3.674 8.600 7.322) 11.877 21.504 ( -6.227 2.274 -3.249) 7.383 21.592 ( -14.524 5.957 -12.319) 19.955 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 8.200 7.067 3.473) 11.369 2.837 ( 11.529 -3.291 9.838) 15.509 2.959 ( -5.517 -0.546 -8.470) 10.123 3.060 ( 0.542 -4.453 -4.559) 6.396 3.244 ( -1.565 -4.037 1.139) 4.477 3.365 ( -7.004 -2.866 -0.912) 7.622 3.555 ( -4.164 -1.680 -3.861) 5.922 3.668 ( -6.308 0.828 -8.604) 10.701 3.861 ( -3.851 4.962 -6.789) 9.248 3.883 ( -3.347 2.672 -1.686) 4.602 4.454 ( 11.474 -5.909 12.107) 17.696 4.625 ( 1.941 -7.813 4.381) 9.166 7.130 ( 13.548 18.433 10.221) 25.056 7.559 ( 14.748 5.184 12.004) 19.710 7.956 ( -7.348 11.092 -0.691) 13.323 8.416 ( 5.479 0.245 0.667) 5.525 8.664 ( 13.928 -7.128 15.544) 22.055 9.171 ( -0.481 -3.360 -10.775) 11.297 9.232 ( 5.282 2.004 -6.939) 8.948 9.534 ( -4.457 -3.931 4.365) 7.374 9.711 ( -7.781 0.928 5.302) 9.461 9.883 ( 3.488 8.545 8.163) 12.322 10.021 ( -3.667 -1.422 11.511) 12.165 10.718 ( -1.710 -11.316 -9.174) 14.668 10.873 ( 0.616 2.401 -3.325) 4.148 11.048 ( 6.016 -1.836 -6.591) 9.111 11.334 ( -17.191 -4.169 -3.626) 18.057 11.623 ( -15.026 -0.807 6.488) 16.387 11.770 ( -3.166 7.206 -1.090) 7.945 12.021 ( -3.162 3.596 -12.610) 13.489 12.797 ( -0.474 -5.283 -6.418) 8.326 12.840 ( -0.970 -12.158 -8.295) 14.750 13.104 ( 4.614 11.607 5.436) 13.622 13.336 ( 0.127 8.043 2.017) 8.293 13.592 ( 8.849 -2.920 -1.937) 9.517 13.727 ( 1.877 13.183 -3.178) 13.690 13.966 ( -4.653 -8.336 -6.505) 11.553 14.216 ( 1.905 7.094 -9.773) 12.226 14.428 ( -1.114 -8.288 -9.551) 12.695 14.663 ( -16.230 -1.758 -15.568) 22.557 14.803 ( 3.464 24.689 -5.286) 25.485 14.912 ( 12.893 -3.784 7.844) 15.559 15.472 ( 9.473 1.543 9.574) 13.556 15.623 ( 7.116 -7.820 7.014) 12.688 15.995 ( -10.896 -0.757 -5.096) 12.053 16.282 ( 1.472 -5.390 0.291) 5.594 16.732 ( 25.405 4.877 19.954) 32.670 16.881 ( 20.092 9.280 7.996) 23.531 17.962 ( -1.177 -0.413 1.576) 2.010 18.003 ( 2.882 2.440 6.588) 7.594 18.404 ( -13.032 -2.648 -9.775) 16.504 18.729 ( 4.236 -7.079 1.013) 8.312 18.870 ( 1.133 -26.493 3.707) 26.775 19.026 ( -6.027 -16.052 0.012) 17.146 19.358 ( 1.137 -7.033 9.323) 11.733 19.411 ( 5.125 -8.477 18.948) 21.381 20.767 ( -1.684 16.738 -11.296) 20.263 21.045 ( -0.711 7.349 -1.110) 7.466 21.283 ( -13.145 8.039 -15.632) 21.950 21.372 ( -7.435 3.374 -6.393) 10.370 ======================= Grid point 202 (70/120) ======================= q-point: ( 0.44 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 10.995 3.890 -4.147) 12.379 2.760 ( -11.067 0.789 -8.204) 13.799 3.028 ( 5.921 -6.172 5.526) 10.183 3.087 ( 0.136 -6.351 -2.269) 6.745 3.227 ( -0.442 -1.503 -2.782) 3.193 3.250 ( -3.475 -1.476 -2.507) 4.532 3.511 ( 0.224 0.506 -4.609) 4.642 3.560 ( -4.009 1.029 -6.037) 7.320 3.792 ( -1.236 4.703 -1.994) 5.256 3.814 ( -2.861 3.683 -0.303) 4.673 4.627 ( 4.700 -9.585 10.614) 15.054 4.663 ( 0.742 -9.708 8.223) 12.745 7.429 ( 14.841 17.896 7.619) 24.465 7.730 ( -13.384 15.546 3.367) 20.788 7.960 ( 22.020 5.023 4.661) 23.062 8.365 ( -12.728 2.889 2.920) 13.375 8.977 ( 13.804 -6.477 9.122) 17.768 9.142 ( 3.623 -0.649 -7.387) 8.253 9.179 ( -9.049 0.183 -15.940) 18.331 9.369 ( -12.602 -0.882 7.028) 14.457 9.660 ( 9.129 -4.825 14.885) 18.116 9.864 ( -7.768 -3.062 14.338) 16.592 10.190 ( 14.340 2.937 -1.346) 14.699 10.508 ( -15.381 -4.855 -12.180) 20.211 10.972 ( 6.950 4.290 -4.364) 9.260 11.105 ( -5.838 0.921 -3.586) 6.913 11.169 ( 6.120 -2.325 2.249) 6.923 11.352 ( -11.105 -3.105 9.110) 14.696 11.769 ( 3.687 4.450 -0.592) 5.809 11.901 ( -7.610 3.756 -5.386) 10.052 12.808 ( 1.104 -8.695 -10.518) 13.691 12.826 ( -0.568 -11.136 -12.052) 16.419 13.202 ( 4.600 9.897 3.233) 11.383 13.290 ( -3.623 8.499 1.542) 9.367 13.786 ( 3.516 9.702 -3.664) 10.950 13.840 ( 4.472 -0.949 -5.649) 7.267 13.909 ( 8.161 -0.696 -7.562) 11.148 14.212 ( -7.581 3.113 -10.967) 13.690 14.319 ( -8.486 -0.039 -11.449) 14.251 14.347 ( -5.211 -8.321 -10.009) 14.021 14.958 ( 9.491 22.396 -6.739) 25.240 15.093 ( 0.437 8.346 0.265) 8.362 15.526 ( 3.688 -10.067 4.204) 11.516 15.683 ( -8.272 -12.267 4.359) 15.424 15.997 ( 12.724 4.781 11.271) 17.658 16.225 ( -7.355 -0.374 10.223) 12.600 17.262 ( 23.984 1.200 12.869) 27.245 17.358 ( 23.767 3.773 4.088) 24.409 17.728 ( -16.173 1.212 4.737) 16.896 17.887 ( -21.252 3.524 1.051) 21.568 18.356 ( 14.011 -5.365 6.815) 16.478 18.691 ( -15.161 -10.561 4.039) 18.913 18.891 ( 6.986 -18.757 3.019) 20.242 18.975 ( -0.990 -22.659 3.281) 22.917 19.375 ( 1.393 -4.940 13.605) 14.541 19.427 ( -2.524 -5.504 18.394) 19.364 20.822 ( 6.559 13.895 -18.071) 23.721 21.000 ( -8.659 9.125 -17.794) 21.791 21.113 ( 1.928 7.313 -7.795) 10.861 21.221 ( -6.801 4.655 -8.352) 11.733 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 0.000 7.148 19.159) 20.449 2.429 ( 0.000 18.032 18.666) 25.953 2.808 ( 0.000 -4.539 -3.571) 5.776 3.234 ( 0.000 2.446 -0.648) 2.531 3.336 ( 0.000 -6.122 0.668) 6.158 3.460 ( 0.000 1.031 6.983) 7.059 3.645 ( 0.000 -1.132 -1.857) 2.175 3.684 ( 0.000 -0.067 -10.977) 10.977 3.991 ( 0.000 -1.492 -5.241) 5.449 4.077 ( 0.000 -3.273 -15.367) 15.712 4.109 ( 0.000 1.847 0.079) 1.849 4.580 ( 0.000 -8.712 -6.028) 10.595 6.979 ( 0.000 19.127 6.304) 20.139 7.585 ( 0.000 -2.805 3.865) 4.775 7.873 ( 0.000 -0.546 7.093) 7.114 8.049 ( 0.000 2.923 -6.438) 7.071 8.353 ( 0.000 0.465 12.642) 12.650 8.453 ( 0.000 -7.545 33.303) 34.147 8.601 ( 0.000 8.482 13.975) 16.348 9.527 ( 0.000 -11.227 -3.792) 11.850 9.811 ( 0.000 7.891 -2.470) 8.269 10.179 ( 0.000 2.630 -3.062) 4.036 10.256 ( 0.000 -4.314 -8.030) 9.115 10.446 ( 0.000 -11.583 -6.508) 13.287 11.062 ( 0.000 6.575 2.433) 7.011 11.377 ( 0.000 7.365 -15.197) 16.887 11.566 ( 0.000 11.523 -2.306) 11.751 11.974 ( 0.000 -6.581 9.071) 11.207 12.151 ( 0.000 -3.936 -7.236) 8.237 12.672 ( 0.000 -8.714 -20.221) 22.019 12.928 ( 0.000 5.524 4.703) 7.255 13.047 ( 0.000 -0.676 3.159) 3.230 13.356 ( 0.000 -1.348 -0.590) 1.471 13.374 ( 0.000 15.964 16.762) 23.147 13.433 ( 0.000 -9.944 -1.647) 10.080 13.518 ( 0.000 -11.210 1.965) 11.381 13.610 ( 0.000 -4.167 -9.043) 9.957 13.921 ( 0.000 3.150 5.406) 6.256 14.290 ( 0.000 9.498 15.910) 18.529 14.347 ( 0.000 11.388 -7.939) 13.883 14.790 ( 0.000 -3.496 -19.165) 19.481 15.176 ( 0.000 1.496 16.744) 16.811 15.386 ( 0.000 -3.594 -11.779) 12.315 15.483 ( 0.000 1.410 14.018) 14.089 15.885 ( 0.000 9.285 -5.988) 11.048 15.940 ( 0.000 13.964 0.875) 13.991 16.363 ( 0.000 4.268 7.135) 8.315 17.267 ( 0.000 11.619 -27.331) 29.698 17.707 ( 0.000 1.567 -16.719) 16.792 17.803 ( 0.000 -2.755 16.862) 17.085 17.931 ( 0.000 -32.583 8.419) 33.654 18.210 ( 0.000 -5.246 -12.962) 13.984 18.569 ( 0.000 -11.962 4.870) 12.916 18.796 ( 0.000 -15.783 -10.714) 19.076 18.966 ( 0.000 -3.939 9.151) 9.962 19.198 ( 0.000 -7.964 -2.787) 8.437 21.336 ( 0.000 13.017 5.929) 14.303 21.447 ( 0.000 13.559 8.324) 15.910 21.667 ( 0.000 0.919 1.565) 1.814 22.007 ( 0.000 -1.770 -8.776) 8.952 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.11 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 7.712 6.303 16.510) 19.282 2.432 ( 0.738 15.834 16.907) 23.176 2.837 ( 2.747 -3.910 -3.914) 6.177 3.162 ( -5.135 0.456 -1.255) 5.306 3.323 ( -3.011 -8.467 1.807) 9.166 3.522 ( 1.857 -6.141 2.993) 7.080 3.586 ( -2.123 1.985 -2.282) 3.695 3.734 ( 4.584 4.721 -7.187) 9.744 3.933 ( -5.151 -2.016 -6.369) 8.435 4.068 ( -0.371 -0.718 -12.883) 12.908 4.139 ( 2.213 1.212 -0.173) 2.529 4.546 ( -3.025 -8.154 -5.109) 10.086 7.061 ( 7.560 19.633 7.133) 22.215 7.524 ( -3.019 4.141 11.952) 13.004 7.951 ( 5.976 -2.530 3.386) 7.320 8.119 ( 6.665 3.214 -5.961) 9.502 8.302 ( -5.540 -2.685 22.574) 23.398 8.534 ( 14.774 -2.782 10.692) 18.448 8.870 ( 16.748 2.400 17.974) 24.685 9.561 ( 1.904 -6.717 -2.166) 7.310 9.750 ( -4.290 4.473 -2.931) 6.855 10.043 ( -5.764 1.500 1.407) 6.120 10.383 ( 4.059 -6.333 -6.574) 9.989 10.544 ( 9.052 -10.667 -8.452) 16.345 10.959 ( -13.830 10.986 -5.018) 18.362 11.121 ( -10.160 7.433 -3.059) 12.955 11.756 ( 8.477 6.500 -5.660) 12.089 11.795 ( -12.908 -10.199 4.161) 16.970 12.169 ( -2.722 -0.651 -4.957) 5.692 12.580 ( -8.869 -2.775 -20.643) 22.638 12.799 ( -7.957 0.777 -0.723) 8.028 12.968 ( -14.933 -3.483 2.818) 15.591 13.136 ( -0.495 0.871 3.259) 3.410 13.366 ( -0.370 1.236 3.557) 3.784 13.456 ( 5.037 5.296 6.308) 9.654 13.669 ( 9.172 -7.203 4.696) 12.572 13.854 ( 10.223 -0.839 0.773) 10.286 14.066 ( 12.150 2.266 -2.805) 12.674 14.247 ( -2.413 9.780 -6.553) 12.018 14.510 ( 13.003 9.427 11.039) 19.488 14.700 ( -5.935 -5.368 -13.638) 15.813 15.224 ( 3.366 6.579 10.093) 12.509 15.361 ( -1.726 -3.313 -12.864) 13.395 15.561 ( 5.800 -6.469 16.924) 19.024 15.686 ( -12.203 11.086 -11.131) 19.892 16.104 ( 10.184 8.912 5.793) 14.721 16.389 ( 3.046 5.530 10.740) 12.458 17.086 ( -12.474 14.134 -22.309) 29.207 17.801 ( 5.434 -4.730 -0.129) 7.206 17.884 ( 5.920 3.630 -2.616) 7.421 18.013 ( 6.576 -33.721 6.888) 35.040 18.248 ( 4.376 -4.629 -12.021) 13.604 18.626 ( 4.786 -12.308 5.424) 14.276 18.823 ( 1.689 -14.370 -7.661) 16.372 19.008 ( 3.704 -5.863 7.755) 10.403 19.143 ( -4.500 -7.589 -0.558) 8.840 21.291 ( -4.089 13.609 3.971) 14.755 21.402 ( -4.008 12.896 6.890) 15.160 21.636 ( -2.858 1.220 0.384) 3.131 21.912 ( -8.638 -0.484 -9.237) 12.656 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.22 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 2.546 13.137 7.100) 15.149 2.551 ( 11.008 1.927 16.124) 19.618 2.917 ( 4.628 -2.127 -5.073) 7.189 3.051 ( -5.322 -1.884 -1.195) 5.770 3.224 ( -5.602 -7.317 0.335) 9.221 3.411 ( -7.670 -9.122 -2.619) 12.202 3.586 ( -1.641 0.157 1.269) 2.080 3.802 ( -6.792 -1.891 -7.173) 10.058 3.885 ( 7.022 5.029 -5.030) 9.995 4.046 ( -2.243 1.839 -11.343) 11.708 4.203 ( 4.440 -0.394 3.619) 5.742 4.476 ( -2.867 -7.794 -2.179) 8.586 7.279 ( 13.095 21.025 8.636) 26.232 7.531 ( 4.271 11.209 15.839) 19.869 8.084 ( 6.269 -1.083 5.363) 8.321 8.277 ( 5.000 -8.431 13.116) 16.374 8.317 ( 9.692 8.343 -1.202) 12.844 8.882 ( 17.017 -4.177 4.335) 18.050 9.164 ( 7.512 -0.907 5.767) 9.514 9.524 ( -2.528 6.529 8.010) 10.639 9.764 ( 5.014 -4.989 -0.607) 7.099 9.945 ( -4.419 0.105 5.313) 6.911 10.398 ( -5.843 -8.412 -9.415) 13.912 10.532 ( -16.791 3.720 -5.764) 18.138 10.751 ( 6.848 -5.101 -5.735) 10.286 11.040 ( 0.315 10.535 -0.540) 10.554 11.488 ( -15.311 -12.974 3.699) 20.407 11.799 ( -8.167 -6.480 2.545) 10.732 12.068 ( -1.947 10.219 -13.413) 16.975 12.304 ( -14.762 6.703 -18.147) 24.334 12.684 ( -4.049 -7.133 -7.175) 10.898 12.730 ( -5.564 -7.543 -2.689) 9.752 13.244 ( 7.264 9.052 6.359) 13.234 13.383 ( 2.726 2.738 2.268) 4.481 13.530 ( 1.708 6.877 4.053) 8.163 13.820 ( 2.595 -2.966 3.227) 5.094 14.007 ( 5.907 -5.263 4.865) 9.288 14.182 ( -0.836 11.141 -13.216) 17.306 14.327 ( 8.605 6.330 -4.590) 11.627 14.624 ( 1.286 -7.618 -7.339) 10.656 14.790 ( 8.201 4.224 -1.365) 9.325 15.318 ( 3.858 1.263 7.679) 8.686 15.340 ( 2.289 4.425 -3.954) 6.360 15.388 ( -9.690 12.890 -0.795) 16.145 15.751 ( 8.909 -15.821 4.549) 18.718 16.319 ( 6.238 -1.663 2.027) 6.767 16.504 ( 9.444 14.983 12.521) 21.690 16.894 ( -2.347 14.645 -5.969) 15.988 17.921 ( 5.008 -6.573 -2.957) 8.777 17.937 ( 0.130 -3.260 0.170) 3.267 18.169 ( 7.645 -27.316 6.565) 29.116 18.382 ( 6.824 -1.308 -8.823) 11.230 18.689 ( -2.285 -9.787 0.043) 10.050 18.816 ( -2.761 -11.047 -1.902) 11.545 19.068 ( 2.838 -10.735 11.541) 16.015 19.117 ( 3.034 -10.107 5.920) 12.100 21.184 ( -5.519 14.859 -1.589) 15.930 21.303 ( -4.833 11.462 2.432) 12.675 21.552 ( -5.091 1.939 -2.835) 6.142 21.683 ( -12.259 2.355 -11.183) 16.760 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 4.622 9.734 1.473) 10.876 2.769 ( 8.537 -3.175 9.865) 13.426 2.929 ( -6.117 -1.846 -1.879) 6.660 3.001 ( 0.911 -1.787 -6.690) 6.985 3.143 ( -0.112 -5.167 -0.230) 5.174 3.271 ( -4.674 -5.914 -1.104) 7.619 3.533 ( -2.836 -0.813 -0.243) 2.960 3.664 ( -6.246 -1.815 -7.085) 9.618 3.945 ( -0.597 4.569 -3.057) 5.529 3.971 ( -4.365 4.710 -7.212) 9.657 4.320 ( 5.627 -6.785 5.395) 10.335 4.444 ( -0.485 -9.736 1.866) 9.925 7.589 ( 15.342 25.493 8.842) 31.040 7.711 ( 13.731 10.667 13.719) 22.148 8.181 ( 1.615 8.434 5.498) 10.196 8.437 ( 8.485 -3.416 9.823) 13.422 8.537 ( 11.322 1.883 3.428) 11.978 9.108 ( -2.308 -1.635 -6.477) 7.068 9.243 ( 11.250 -3.688 4.422) 12.638 9.483 ( -6.205 1.860 0.257) 6.483 9.714 ( -14.554 -1.229 2.502) 14.818 9.964 ( 5.867 -4.925 4.058) 8.669 10.063 ( -11.350 5.760 3.209) 13.126 10.436 ( -1.853 -12.937 -8.828) 15.771 10.860 ( 4.247 -4.409 -2.555) 6.634 11.100 ( 3.746 6.776 -2.496) 8.135 11.218 ( -8.170 -6.709 3.983) 11.297 11.523 ( -14.226 -6.811 7.896) 17.638 11.989 ( -6.768 12.483 -11.618) 18.347 12.142 ( -2.251 7.823 -14.543) 16.666 12.606 ( -2.862 -10.847 -8.897) 14.318 12.663 ( -2.036 -8.447 -9.800) 13.097 13.355 ( 3.522 10.954 5.970) 12.963 13.494 ( 2.420 8.005 0.423) 8.373 13.578 ( 8.384 3.338 -1.037) 9.083 13.789 ( -2.633 -4.491 -2.283) 5.685 14.080 ( -2.580 16.513 -9.235) 19.095 14.182 ( 3.130 -11.805 -1.867) 12.354 14.442 ( 1.957 9.394 -2.575) 9.935 14.641 ( -7.597 -2.783 -12.579) 14.956 14.832 ( 5.441 1.006 1.471) 5.726 15.252 ( -2.532 -2.130 3.842) 5.071 15.393 ( 5.820 18.240 -2.881) 19.361 15.584 ( 13.775 -0.543 13.035) 18.973 15.915 ( 5.968 -14.418 1.107) 15.643 16.251 ( -8.356 7.554 -14.133) 18.073 16.825 ( 18.715 4.642 10.796) 22.099 17.061 ( 15.969 7.554 15.636) 23.592 17.860 ( -5.922 -12.593 -7.557) 15.835 18.049 ( 5.522 -4.206 8.717) 11.143 18.300 ( 3.459 -14.375 5.405) 15.742 18.426 ( -9.274 -1.526 1.947) 9.598 18.538 ( -1.762 -8.998 1.549) 9.299 18.772 ( -2.306 -8.752 -2.913) 9.508 19.144 ( 1.996 -13.966 13.492) 19.521 19.186 ( 3.687 -13.492 15.168) 20.633 21.094 ( -2.340 15.115 -9.228) 17.864 21.225 ( -2.266 9.755 -4.257) 10.882 21.426 ( -8.568 5.092 -11.065) 14.892 21.444 ( -8.212 3.453 -9.703) 13.172 ======================= Grid point 211 (75/120) ======================= q-point: ( 0.44 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 6.995 5.088 -3.259) 9.243 2.776 ( -7.837 0.814 -5.463) 9.587 2.895 ( 3.810 -6.688 5.889) 9.692 2.963 ( -2.968 -5.956 -0.326) 6.662 3.199 ( 3.061 -0.653 -0.269) 3.141 3.234 ( -0.143 0.801 -4.303) 4.379 3.492 ( -0.162 -2.644 -3.213) 4.164 3.547 ( -4.762 -2.548 -6.225) 8.241 3.904 ( -1.341 6.335 -2.234) 6.850 3.913 ( -1.618 6.019 -0.621) 6.263 4.405 ( 2.527 -11.779 6.029) 13.472 4.436 ( -0.648 -12.206 5.008) 13.209 7.875 ( 12.709 25.340 10.080) 30.087 8.102 ( 19.056 10.460 7.734) 23.073 8.108 ( -6.309 19.354 7.019) 21.533 8.455 ( -9.023 6.004 6.916) 12.857 8.844 ( 16.679 -6.077 6.764) 18.997 9.078 ( 0.057 -3.741 1.664) 4.095 9.223 ( -11.454 -0.052 -11.393) 16.156 9.331 ( -12.853 -0.721 -5.933) 14.175 9.547 ( 9.638 -5.050 6.380) 12.613 9.789 ( -11.890 -4.324 6.704) 14.318 10.183 ( 8.749 -6.328 -1.372) 10.885 10.345 ( -6.611 -11.948 -11.063) 17.574 10.991 ( 8.682 -1.596 5.377) 10.336 11.128 ( -1.213 0.156 2.368) 2.666 11.181 ( 1.304 4.818 -0.627) 5.030 11.264 ( -9.665 -3.848 9.002) 13.757 11.929 ( 1.780 10.804 -7.167) 13.087 12.038 ( -7.058 9.312 -7.518) 13.894 12.590 ( 1.047 -11.535 -12.685) 17.177 12.625 ( -1.839 -10.318 -12.585) 16.378 13.423 ( 2.841 10.975 2.541) 11.618 13.472 ( -2.076 9.396 1.036) 9.679 13.784 ( 4.648 -4.670 -7.719) 10.148 13.858 ( 11.384 -0.930 -8.721) 14.371 13.951 ( -4.957 4.529 -8.031) 10.468 14.178 ( -9.838 -2.244 -4.604) 11.091 14.412 ( 0.667 9.862 -1.926) 10.070 14.486 ( -4.153 12.968 -5.717) 14.769 15.012 ( 8.976 -7.991 9.000) 15.014 15.170 ( -5.812 -9.534 8.467) 14.013 15.575 ( 10.418 23.087 -6.942) 26.263 15.745 ( -2.213 7.790 0.167) 8.100 16.004 ( 4.826 -3.786 1.324) 6.275 16.109 ( -4.697 -3.615 -5.322) 7.966 17.219 ( 17.799 -7.861 4.161) 19.898 17.404 ( 9.192 -4.643 7.732) 12.878 17.729 ( -0.922 -0.047 7.028) 7.088 18.001 ( -16.511 6.864 11.827) 21.438 18.227 ( 3.496 -9.197 7.434) 12.331 18.328 ( -3.712 -15.545 6.150) 17.124 18.591 ( 4.630 -10.714 3.922) 12.313 18.698 ( -4.801 -5.458 -0.352) 7.277 19.181 ( 2.213 -13.647 15.671) 20.898 19.220 ( -0.670 -14.260 17.161) 22.322 21.102 ( 3.028 13.010 -15.123) 20.177 21.194 ( -3.325 9.367 -13.955) 17.133 21.266 ( -2.245 7.177 -11.177) 13.471 21.320 ( -4.884 4.604 -9.243) 11.423 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 0.000 11.431 10.246) 15.351 2.607 ( 0.000 -6.150 3.458) 7.056 2.858 ( 0.000 14.457 11.571) 18.517 3.133 ( 0.000 -12.198 5.346) 13.319 3.270 ( 0.000 2.754 -2.886) 3.989 3.382 ( 0.000 -7.760 0.993) 7.823 3.702 ( 0.000 5.979 -2.561) 6.504 3.770 ( 0.000 3.874 -10.686) 11.367 3.913 ( 0.000 -2.944 -5.853) 6.551 3.985 ( 0.000 -5.923 -14.364) 15.538 4.219 ( 0.000 8.222 -4.488) 9.367 4.398 ( 0.000 -9.585 -6.118) 11.372 7.307 ( 0.000 13.510 4.211) 14.151 7.500 ( 0.000 -6.520 3.212) 7.268 7.931 ( 0.000 5.669 3.152) 6.486 8.043 ( 0.000 -4.052 -5.171) 6.569 8.334 ( 0.000 -1.310 21.530) 21.570 8.340 ( 0.000 -2.867 31.586) 31.716 8.877 ( 0.000 18.115 10.690) 21.034 9.240 ( 0.000 -17.506 4.281) 18.021 9.995 ( 0.000 10.009 1.292) 10.092 10.160 ( 0.000 -5.681 -1.008) 5.770 10.181 ( 0.000 -0.466 -5.977) 5.995 10.243 ( 0.000 -8.174 -7.986) 11.428 11.270 ( 0.000 12.050 -4.863) 12.994 11.433 ( 0.000 -2.837 -12.659) 12.973 11.774 ( 0.000 7.956 7.095) 10.660 11.866 ( 0.000 -3.907 11.545) 12.188 12.150 ( 0.000 6.018 -17.510) 18.515 12.398 ( 0.000 -16.436 -19.706) 25.660 13.049 ( 0.000 6.506 2.627) 7.016 13.105 ( 0.000 4.040 -0.591) 4.083 13.239 ( 0.000 -6.098 -4.051) 7.321 13.308 ( 0.000 -9.519 -2.824) 9.929 13.380 ( 0.000 1.693 1.116) 2.028 13.441 ( 0.000 -4.011 0.257) 4.019 13.755 ( 0.000 12.579 9.493) 15.759 13.918 ( 0.000 -3.861 9.925) 10.650 14.494 ( 0.000 9.539 11.622) 15.036 14.518 ( 0.000 5.455 -7.878) 9.582 14.749 ( 0.000 1.627 -10.440) 10.566 14.966 ( 0.000 -16.568 14.205) 21.823 15.427 ( 0.000 4.217 -8.061) 9.098 15.486 ( 0.000 -1.398 2.652) 2.998 16.077 ( 0.000 9.515 -0.832) 9.551 16.195 ( 0.000 1.177 -3.652) 3.837 16.580 ( 0.000 25.701 13.870) 29.205 17.220 ( 0.000 -34.679 8.961) 35.818 17.495 ( 0.000 7.256 -19.604) 20.904 17.622 ( 0.000 -5.723 -7.781) 9.659 17.901 ( 0.000 8.515 -0.364) 8.523 18.080 ( 0.000 -8.685 -3.063) 9.209 18.423 ( 0.000 -1.257 -4.893) 5.052 18.525 ( 0.000 -10.609 -10.195) 14.713 18.956 ( 0.000 2.450 5.712) 6.215 19.049 ( 0.000 -6.685 1.959) 6.966 21.548 ( 0.000 8.213 3.854) 9.072 21.654 ( 0.000 -2.716 2.408) 3.630 21.707 ( 0.000 12.366 2.046) 12.534 21.911 ( 0.000 -7.973 -3.886) 8.869 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.11 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 5.192 9.674 9.637) 14.609 2.625 ( 1.362 -3.044 3.956) 5.174 2.855 ( 0.423 11.098 8.923) 14.247 3.097 ( -3.090 -10.501 4.382) 11.791 3.215 ( -4.664 2.300 -2.806) 5.909 3.340 ( -4.310 -9.368 -0.549) 10.327 3.682 ( -1.519 6.215 -1.551) 6.584 3.806 ( -0.063 -3.936 -4.564) 6.027 3.897 ( 1.210 4.398 -10.515) 11.461 4.010 ( 2.015 -5.002 -13.504) 14.541 4.226 ( 0.562 6.984 -3.760) 7.951 4.381 ( -1.576 -8.423 -5.381) 10.119 7.388 ( 7.525 13.028 6.602) 16.429 7.552 ( 5.317 -3.145 6.061) 8.654 7.961 ( 2.768 3.989 6.062) 7.767 8.073 ( 1.986 -6.155 1.880) 6.735 8.354 ( 3.976 5.938 18.760) 20.075 8.462 ( 11.325 -4.683 14.849) 19.253 9.015 ( 11.161 12.725 11.818) 20.643 9.318 ( 7.120 -15.967 4.906) 18.158 9.908 ( -7.317 9.374 0.821) 11.920 10.042 ( -5.512 -2.554 4.115) 7.338 10.266 ( 2.351 -3.118 -7.824) 8.745 10.335 ( 6.677 -8.846 -6.306) 12.752 11.232 ( -8.886 11.670 -7.188) 16.334 11.263 ( -8.481 5.957 -6.339) 12.149 11.643 ( -15.252 -2.917 1.955) 15.651 11.739 ( -4.092 -7.602 1.684) 8.796 12.245 ( 3.892 8.150 -12.503) 15.424 12.435 ( 0.917 -10.101 -16.945) 19.748 12.833 ( -14.482 2.852 -2.267) 14.933 12.906 ( -20.039 -3.962 -2.729) 20.609 13.175 ( 6.922 4.339 2.563) 8.562 13.281 ( 4.714 -5.373 -0.513) 7.166 13.564 ( 7.576 -1.098 3.817) 8.554 13.581 ( 5.579 -0.472 3.377) 6.539 13.938 ( 11.314 9.197 5.266) 15.503 14.070 ( 12.436 -2.835 4.491) 13.523 14.419 ( -1.996 7.795 -3.244) 8.675 14.565 ( -3.045 -6.799 -7.230) 10.381 14.750 ( 5.749 13.535 5.335) 15.643 15.054 ( 6.312 -16.075 9.804) 19.858 15.405 ( -2.174 4.086 -10.978) 11.914 15.479 ( -0.762 -3.118 -1.218) 3.434 15.972 ( -7.981 14.445 1.897) 16.611 16.176 ( -0.933 -4.953 3.053) 5.892 16.663 ( 7.641 25.426 14.815) 30.403 17.261 ( 2.997 -25.470 6.321) 26.413 17.414 ( -5.652 4.675 -16.586) 18.136 17.654 ( 0.906 -11.522 -13.328) 17.641 17.990 ( 6.580 6.756 4.572) 10.481 18.142 ( 7.755 -7.317 -0.585) 10.678 18.484 ( 5.069 -0.004 -4.413) 6.721 18.592 ( 5.087 -9.257 -8.145) 13.338 18.947 ( -0.879 0.007 5.951) 6.016 19.007 ( -3.885 -5.655 3.132) 7.542 21.511 ( -3.386 8.410 2.267) 9.345 21.607 ( -4.350 0.763 1.334) 4.613 21.667 ( -3.545 8.068 0.593) 8.832 21.839 ( -6.459 -6.789 -4.798) 10.528 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.22 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 6.615 5.111 6.985) 10.894 2.644 ( 0.615 3.540 5.719) 6.754 2.907 ( 4.588 3.401 2.718) 6.325 3.024 ( -3.752 -4.095 0.419) 5.570 3.104 ( -4.928 -0.664 -0.971) 5.067 3.217 ( -6.399 -9.465 -0.519) 11.437 3.628 ( -3.715 3.885 -0.636) 5.413 3.726 ( -5.643 -5.348 -3.756) 8.634 3.982 ( 4.211 4.465 -9.253) 11.104 4.047 ( 0.980 -1.871 -11.023) 11.223 4.234 ( 0.062 3.654 -1.816) 4.081 4.335 ( -2.652 -6.378 -3.118) 7.578 7.602 ( 12.593 12.452 12.517) 21.687 7.737 ( 12.485 3.017 7.252) 14.750 8.040 ( 4.745 0.773 14.524) 15.299 8.138 ( 5.603 -6.137 3.940) 9.197 8.534 ( 11.628 12.544 4.794) 17.764 8.753 ( 15.063 -9.050 7.099) 18.952 9.241 ( 8.007 9.622 5.182) 13.548 9.510 ( 10.200 -14.311 5.383) 18.380 9.731 ( -8.750 8.409 5.348) 13.262 9.892 ( -9.708 -6.166 5.913) 12.931 10.294 ( -0.474 1.406 -7.040) 7.194 10.423 ( -0.312 -9.695 -6.275) 11.553 10.917 ( -12.499 14.371 -5.635) 19.862 11.178 ( -6.903 -8.896 -3.065) 11.669 11.333 ( -10.053 9.477 0.848) 13.841 11.598 ( -9.547 -13.221 1.189) 16.351 12.274 ( 0.377 9.684 -12.605) 15.900 12.388 ( -5.690 0.201 -17.250) 18.166 12.564 ( -10.253 -3.539 -6.389) 12.588 12.597 ( -8.650 -5.354 -8.703) 13.388 13.371 ( 9.992 4.636 5.038) 12.112 13.414 ( 6.893 0.779 1.784) 7.163 13.646 ( 1.287 1.723 2.709) 3.459 13.713 ( 6.477 -6.012 4.216) 9.791 14.043 ( -0.402 11.508 3.187) 11.948 14.298 ( 4.986 -10.637 1.872) 11.896 14.429 ( 0.644 9.426 -8.923) 12.996 14.529 ( 5.021 -1.764 -6.431) 8.347 14.933 ( 8.238 11.432 2.628) 14.334 15.188 ( 6.483 -10.171 8.177) 14.572 15.337 ( -3.752 0.990 -10.873) 11.545 15.463 ( 0.486 -10.742 -4.807) 11.778 15.863 ( -0.347 22.419 6.583) 23.368 16.198 ( 3.651 -11.391 7.061) 13.890 16.875 ( 11.589 23.473 14.364) 29.860 17.214 ( -6.723 18.489 -12.571) 23.347 17.430 ( 7.223 -32.416 8.894) 34.381 17.605 ( -4.591 -20.321 -14.246) 25.238 18.180 ( 10.955 10.054 9.452) 17.619 18.346 ( 9.220 -5.251 -0.932) 10.651 18.592 ( 4.316 1.238 -1.278) 4.669 18.666 ( 0.086 -5.292 -0.715) 5.341 18.898 ( -4.135 -4.678 7.972) 10.126 18.933 ( -1.412 -7.346 5.127) 9.069 21.419 ( -4.956 8.722 -2.188) 10.268 21.490 ( -6.141 4.542 -2.119) 7.926 21.574 ( -5.129 2.251 -3.107) 6.405 21.668 ( -9.159 -3.818 -7.600) 12.499 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 1.370 5.622 1.879) 6.084 2.720 ( 3.773 -2.103 6.850) 8.098 2.921 ( -5.861 1.179 -2.511) 6.485 2.962 ( -3.401 -2.436 -4.267) 5.975 3.086 ( 5.257 0.490 2.689) 5.925 3.158 ( 2.689 -5.474 -0.052) 6.098 3.536 ( -4.973 1.747 -1.071) 5.379 3.600 ( -6.220 -4.131 -4.512) 8.725 4.033 ( 0.865 3.511 -5.094) 6.247 4.044 ( -0.886 2.353 -6.457) 6.929 4.225 ( -1.003 -1.972 0.229) 2.224 4.277 ( -2.883 -6.616 0.040) 7.217 7.912 ( 17.100 12.115 13.948) 25.174 8.046 ( 15.674 11.935 6.530) 20.754 8.186 ( 9.900 -3.566 18.201) 21.024 8.312 ( 10.237 -5.849 4.150) 12.500 8.763 ( 8.750 15.040 3.478) 17.744 9.027 ( 9.691 -10.711 2.755) 14.704 9.251 ( -7.534 11.698 0.832) 13.939 9.554 ( -8.604 -4.308 8.641) 12.933 9.631 ( -8.289 -3.966 -1.934) 9.391 9.748 ( 6.853 -11.468 -1.318) 13.425 10.136 ( -16.145 6.084 -11.435) 20.699 10.287 ( -9.937 -6.807 -9.717) 15.475 10.858 ( 5.063 5.577 4.259) 8.653 11.024 ( -1.270 -9.522 7.897) 12.436 11.273 ( -0.071 6.905 0.420) 6.918 11.396 ( -8.753 -6.032 4.159) 11.415 12.223 ( -6.571 10.895 -14.599) 19.365 12.293 ( -0.388 7.079 -14.217) 15.887 12.423 ( -5.385 -7.687 -11.813) 15.088 12.482 ( -2.898 -9.536 -10.883) 14.757 13.486 ( 3.596 4.801 0.195) 6.002 13.583 ( 4.681 -4.406 -1.907) 6.705 13.661 ( 2.770 8.856 0.599) 9.298 13.810 ( 2.009 -1.478 2.219) 3.339 14.043 ( 1.215 5.427 1.630) 5.795 14.274 ( -1.187 -7.086 1.567) 7.354 14.453 ( -2.579 5.506 -4.222) 7.402 14.616 ( 0.109 -5.288 -3.068) 6.114 15.033 ( 3.382 18.063 -3.976) 18.802 15.232 ( -1.169 9.667 -0.995) 9.788 15.412 ( 9.446 -15.490 4.173) 18.616 15.528 ( 4.641 -18.714 -1.182) 19.317 15.966 ( 9.625 26.138 0.480) 27.858 16.329 ( 8.232 -6.848 0.402) 10.715 16.973 ( -5.497 13.155 -7.559) 16.137 17.175 ( 2.620 1.950 3.782) 4.997 17.526 ( 3.322 -14.089 2.099) 14.627 17.654 ( 11.749 -21.124 12.175) 27.064 18.373 ( 3.558 9.062 5.782) 11.323 18.451 ( -0.370 0.490 4.301) 4.345 18.532 ( -7.834 6.424 10.841) 14.838 18.666 ( 1.664 -2.324 1.244) 3.118 18.863 ( 0.593 -11.429 10.969) 15.852 18.922 ( -0.017 -12.196 8.129) 14.657 21.327 ( -3.313 8.249 -8.143) 12.055 21.379 ( -3.969 4.376 -7.123) 9.255 21.464 ( -5.105 0.319 -7.670) 9.219 21.486 ( -7.731 -0.168 -11.241) 13.644 ======================= Grid point 220 (80/120) ======================= q-point: ( 0.44 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 3.487 3.812 -0.318) 5.176 2.783 ( 2.946 -4.646 3.441) 6.489 2.799 ( -5.435 1.887 -1.741) 6.011 2.860 ( -4.612 -4.326 -0.186) 6.326 3.230 ( 7.032 3.607 -0.144) 7.905 3.272 ( 5.488 1.391 -4.648) 7.325 3.426 ( -4.682 -2.343 -1.779) 5.530 3.468 ( -6.296 -4.817 -4.989) 9.367 4.032 ( 0.150 6.519 -1.755) 6.753 4.039 ( -0.161 6.649 -0.466) 6.667 4.201 ( -0.621 -8.445 1.559) 8.610 4.220 ( -2.242 -9.301 1.938) 9.761 8.275 ( 14.702 12.284 11.945) 22.577 8.340 ( 13.207 14.045 11.883) 22.647 8.388 ( 4.622 4.683 14.245) 15.692 8.502 ( 3.614 -4.364 12.050) 13.316 8.880 ( 5.277 12.245 2.547) 13.575 9.054 ( -7.652 3.431 2.107) 8.646 9.110 ( -1.451 -9.306 -1.632) 9.559 9.244 ( -14.695 -10.656 2.272) 18.294 9.610 ( 3.956 10.820 -9.668) 15.040 9.785 ( -12.351 6.964 -8.602) 16.585 9.906 ( 5.629 -17.825 -7.391) 20.100 10.062 ( -9.566 -16.510 -12.847) 23.003 11.028 ( 9.705 4.886 10.017) 14.778 11.116 ( 6.468 -2.480 8.248) 10.771 11.229 ( -7.696 0.463 7.275) 10.601 11.244 ( -3.515 0.592 3.125) 4.741 12.156 ( 0.685 11.755 -11.737) 16.625 12.229 ( -5.049 9.764 -10.552) 15.237 12.375 ( 0.750 -10.706 -13.845) 17.517 12.422 ( -3.066 -10.161 -12.631) 16.498 13.578 ( 4.627 5.019 -3.126) 7.508 13.625 ( 1.486 3.767 -4.876) 6.339 13.703 ( 0.880 -0.559 -4.970) 5.078 13.801 ( -4.569 -6.021 -7.945) 10.966 14.093 ( 6.520 12.886 3.246) 14.801 14.280 ( -7.825 10.476 0.384) 13.081 14.381 ( 5.409 -12.220 5.726) 14.539 14.534 ( -6.777 -10.878 3.134) 13.194 15.127 ( 4.932 20.004 -1.433) 20.652 15.206 ( -2.253 16.537 0.170) 16.691 15.567 ( 4.649 -20.330 0.910) 20.874 15.601 ( 1.358 -20.123 1.183) 20.203 16.227 ( 13.803 29.384 -6.626) 33.134 16.435 ( -2.478 22.839 -9.616) 24.905 16.894 ( 2.713 -21.775 -3.888) 22.285 17.068 ( -10.100 -25.418 -6.303) 28.068 17.790 ( 18.142 5.683 17.346) 25.735 17.937 ( 14.449 -9.355 14.527) 22.523 18.183 ( -17.425 4.773 14.235) 23.002 18.239 ( -12.454 -0.920 10.658) 16.417 18.606 ( 5.453 9.908 8.092) 13.906 18.675 ( -1.186 4.435 3.285) 5.645 18.890 ( 1.464 -14.701 11.192) 18.534 18.915 ( -0.812 -15.456 12.767) 20.064 21.297 ( 0.533 6.491 -12.715) 14.286 21.332 ( -1.099 3.904 -11.528) 12.221 21.360 ( -3.488 1.996 -12.945) 13.554 21.376 ( -3.208 0.811 -10.802) 11.297 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 0.000 0.000 26.020) 26.020 2.661 ( 0.000 0.000 20.604) 20.604 2.799 ( 0.000 0.000 -1.250) 1.250 3.055 ( 0.000 0.000 -8.830) 8.830 3.134 ( 0.000 0.000 -2.944) 2.944 3.399 ( 0.000 0.000 -17.569) 17.569 3.787 ( 0.000 0.000 -4.612) 4.612 3.821 ( 0.000 0.000 3.121) 3.121 3.835 ( 0.000 0.000 -10.084) 10.084 3.897 ( 0.000 0.000 0.881) 0.881 4.288 ( 0.000 0.000 12.886) 12.886 4.667 ( 0.000 0.000 -6.730) 6.730 6.774 ( 0.000 0.000 18.536) 18.536 7.603 ( 0.000 0.000 -20.489) 20.489 7.763 ( 0.000 0.000 3.690) 3.690 7.886 ( 0.000 0.000 -5.459) 5.459 8.709 ( 0.000 0.000 26.742) 26.742 8.874 ( 0.000 0.000 18.326) 18.326 9.361 ( 0.000 0.000 37.308) 37.308 9.477 ( 0.000 0.000 -6.490) 6.490 9.505 ( 0.000 0.000 -13.140) 13.140 10.085 ( 0.000 0.000 2.585) 2.585 10.189 ( 0.000 0.000 -6.506) 6.506 10.568 ( 0.000 0.000 -22.706) 22.706 10.679 ( 0.000 0.000 -11.957) 11.957 10.809 ( 0.000 0.000 -23.643) 23.643 11.434 ( 0.000 0.000 18.894) 18.894 12.253 ( 0.000 0.000 3.022) 3.022 12.303 ( 0.000 0.000 -21.897) 21.897 12.304 ( 0.000 0.000 -0.309) 0.309 13.050 ( 0.000 0.000 9.557) 9.557 13.057 ( 0.000 0.000 9.813) 9.813 13.241 ( 0.000 0.000 -1.394) 1.394 13.352 ( 0.000 0.000 -3.437) 3.437 13.517 ( 0.000 0.000 -5.047) 5.047 13.624 ( 0.000 0.000 -8.182) 8.182 13.799 ( 0.000 0.000 4.680) 4.680 14.070 ( 0.000 0.000 -5.652) 5.652 14.233 ( 0.000 0.000 21.523) 21.523 14.268 ( 0.000 0.000 13.555) 13.555 14.645 ( 0.000 0.000 -2.093) 2.093 14.985 ( 0.000 0.000 -4.328) 4.328 15.363 ( 0.000 0.000 -11.930) 11.930 15.421 ( 0.000 0.000 6.276) 6.276 15.594 ( 0.000 0.000 -15.508) 15.508 15.993 ( 0.000 0.000 25.687) 25.687 16.375 ( 0.000 0.000 -25.135) 25.135 16.715 ( 0.000 0.000 29.376) 29.376 17.161 ( 0.000 0.000 -24.749) 24.749 17.866 ( 0.000 0.000 -25.928) 25.928 18.345 ( 0.000 0.000 19.375) 19.375 18.839 ( 0.000 0.000 4.975) 4.975 19.046 ( 0.000 0.000 -0.052) 0.052 19.108 ( 0.000 0.000 4.784) 4.784 19.109 ( 0.000 0.000 -12.545) 12.545 19.293 ( 0.000 0.000 -4.414) 4.414 21.163 ( 0.000 0.000 12.884) 12.884 21.389 ( 0.000 0.000 11.407) 11.407 21.626 ( 0.000 0.000 -1.462) 1.462 21.702 ( 0.000 0.000 -13.386) 13.386 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -5.148 0.000 19.480) 20.149 2.729 ( 6.183 0.000 18.876) 19.863 2.781 ( -1.203 0.000 -4.231) 4.399 3.167 ( 3.048 0.000 -2.386) 3.870 3.185 ( 7.813 0.000 -4.674) 9.104 3.455 ( 4.251 0.000 -14.104) 14.731 3.736 ( -4.635 0.000 -4.671) 6.580 3.780 ( -5.156 0.000 -9.885) 11.149 3.794 ( -1.502 0.000 1.525) 2.141 3.822 ( -5.559 0.000 1.930) 5.885 4.340 ( 4.814 0.000 11.928) 12.863 4.658 ( -0.511 0.000 -5.216) 5.241 6.833 ( 5.326 0.000 18.149) 18.914 7.642 ( 3.228 0.000 -20.085) 20.343 7.739 ( -1.587 0.000 11.839) 11.945 7.974 ( 7.971 0.000 -4.435) 9.122 8.737 ( 2.458 0.000 13.799) 14.016 8.904 ( 2.744 0.000 21.296) 21.472 9.405 ( -6.902 0.000 -9.302) 11.582 9.458 ( 8.839 0.000 30.936) 32.174 9.540 ( 3.392 0.000 -9.717) 10.292 10.058 ( -1.027 0.000 3.842) 3.977 10.324 ( 9.680 0.000 -10.283) 14.123 10.518 ( -6.202 0.000 -2.998) 6.889 10.564 ( -0.158 0.000 -20.661) 20.661 11.051 ( 14.191 0.000 -21.760) 25.979 11.312 ( -10.577 0.000 13.924) 17.486 12.064 ( -21.040 0.000 -22.362) 30.704 12.212 ( -4.493 0.000 3.330) 5.593 12.254 ( -4.484 0.000 1.011) 4.597 12.947 ( -7.218 0.000 8.442) 11.107 13.052 ( 0.439 0.000 11.353) 11.362 13.231 ( -9.931 0.000 -1.701) 10.075 13.266 ( 1.838 0.000 4.142) 4.531 13.478 ( -1.902 0.000 -4.425) 4.817 13.682 ( 3.687 0.000 -14.233) 14.703 13.802 ( -0.788 0.000 5.679) 5.734 14.038 ( -2.158 0.000 -5.363) 5.781 14.388 ( 12.008 0.000 19.754) 23.117 14.395 ( 7.108 0.000 1.859) 7.347 14.648 ( 1.226 0.000 -1.978) 2.327 14.974 ( -2.375 0.000 6.156) 6.598 15.307 ( -3.550 0.000 -4.877) 6.032 15.410 ( 2.438 0.000 -2.396) 3.418 15.702 ( 10.752 0.000 -15.576) 18.927 16.108 ( -0.605 0.000 -7.031) 7.057 16.302 ( 5.183 0.000 9.278) 10.628 16.761 ( 4.351 0.000 30.083) 30.396 17.336 ( 13.579 0.000 -24.606) 28.104 17.916 ( 4.701 0.000 -24.670) 25.114 18.302 ( -3.106 0.000 18.307) 18.569 18.901 ( -0.359 0.000 -6.804) 6.813 19.111 ( 8.983 0.000 2.081) 9.220 19.130 ( 2.045 0.000 4.694) 5.120 19.177 ( 7.648 0.000 -2.308) 7.988 19.309 ( 1.423 0.000 -4.145) 4.383 21.056 ( -10.030 0.000 11.613) 15.345 21.332 ( -5.235 0.000 10.691) 11.904 21.572 ( -5.124 0.000 -2.136) 5.551 21.574 ( -11.817 0.000 -13.238) 17.745 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -2.922 0.000 12.327) 12.669 2.758 ( -1.160 0.000 -9.381) 9.452 2.895 ( 8.954 0.000 14.685) 17.200 3.220 ( -4.032 0.000 0.873) 4.126 3.251 ( 4.642 0.000 -0.790) 4.709 3.475 ( -4.955 0.000 -9.724) 10.913 3.611 ( -6.875 0.000 -4.746) 8.354 3.631 ( -8.543 0.000 -9.388) 12.693 3.731 ( -0.406 0.000 0.904) 0.991 3.831 ( 2.526 0.000 -1.806) 3.105 4.495 ( 10.412 0.000 10.240) 14.604 4.679 ( 3.354 0.000 -1.168) 3.552 6.978 ( 8.214 0.000 16.417) 18.357 7.700 ( 1.370 0.000 -17.802) 17.855 7.729 ( 1.210 0.000 20.995) 21.030 8.192 ( 12.104 0.000 -2.705) 12.403 8.805 ( 3.708 0.000 -4.619) 5.923 8.992 ( 5.928 0.000 24.096) 24.815 9.197 ( -12.684 0.000 -15.193) 19.791 9.603 ( 4.066 0.000 -4.042) 5.733 9.727 ( 13.789 0.000 21.483) 25.528 10.026 ( -2.145 0.000 7.197) 7.510 10.416 ( -0.653 0.000 5.714) 5.751 10.568 ( 0.546 0.000 -15.508) 15.518 10.597 ( 12.185 0.000 -4.950) 13.153 11.058 ( -12.334 0.000 3.139) 12.727 11.317 ( 10.219 0.000 -21.229) 23.561 11.531 ( -27.481 0.000 -20.472) 34.268 12.064 ( -8.725 0.000 4.399) 9.771 12.124 ( -7.730 0.000 5.012) 9.213 12.831 ( -3.674 0.000 2.915) 4.689 13.026 ( -8.251 0.000 -1.542) 8.394 13.086 ( 2.364 0.000 13.404) 13.611 13.284 ( -0.279 0.000 5.223) 5.231 13.482 ( 2.080 0.000 -3.773) 4.309 13.730 ( -5.374 0.000 7.121) 8.921 13.758 ( 4.417 0.000 -18.085) 18.617 14.009 ( -0.506 0.000 -8.362) 8.377 14.429 ( -2.507 0.000 -8.251) 8.623 14.540 ( -1.756 0.000 15.718) 15.816 14.624 ( -7.191 0.000 -13.185) 15.019 14.963 ( 4.078 0.000 9.648) 10.474 15.395 ( 14.346 0.000 14.462) 20.371 15.518 ( 5.184 0.000 -6.436) 8.264 15.954 ( -5.233 0.000 -18.806) 19.520 16.016 ( 18.068 0.000 -14.719) 23.305 16.653 ( 21.381 0.000 27.005) 34.445 16.884 ( 6.928 0.000 30.852) 31.620 17.623 ( 12.360 0.000 -20.883) 24.267 18.045 ( 6.655 0.000 -22.736) 23.690 18.247 ( -1.767 0.000 15.005) 15.109 18.789 ( -6.974 0.000 -9.309) 11.632 19.191 ( 3.770 0.000 4.454) 5.835 19.331 ( 7.885 0.000 5.089) 9.384 19.351 ( 2.504 0.000 -3.284) 4.130 19.445 ( 17.476 0.000 3.171) 17.762 20.762 ( -17.519 0.000 7.626) 19.107 21.185 ( -8.348 0.000 8.246) 11.734 21.245 ( -18.561 0.000 -14.092) 23.304 21.421 ( -8.996 0.000 -3.953) 9.826 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 1.161 0.000 5.542) 5.662 2.708 ( -4.521 0.000 -12.608) 13.394 3.066 ( 6.601 0.000 9.205) 11.327 3.116 ( -3.771 0.000 2.471) 4.509 3.323 ( -7.672 0.000 -5.479) 9.428 3.340 ( 2.879 0.000 2.512) 3.820 3.435 ( -8.095 0.000 -8.511) 11.746 3.498 ( -3.941 0.000 -5.322) 6.622 3.731 ( -0.318 0.000 0.034) 0.320 3.833 ( -2.325 0.000 -2.526) 3.433 4.746 ( 11.865 0.000 7.627) 14.105 4.797 ( 6.989 0.000 3.169) 7.674 7.163 ( 9.342 0.000 12.316) 15.458 7.676 ( -3.824 0.000 -11.933) 12.530 7.811 ( 7.090 0.000 19.109) 20.382 8.441 ( 10.363 0.000 1.206) 10.433 8.821 ( -8.395 0.000 -20.040) 21.728 8.936 ( -5.870 0.000 -14.228) 15.391 9.161 ( 10.435 0.000 22.021) 24.369 9.670 ( 1.955 0.000 0.982) 2.188 9.977 ( 8.169 0.000 13.798) 16.035 10.010 ( 1.861 0.000 17.320) 17.420 10.387 ( -2.807 0.000 16.287) 16.527 10.554 ( -4.973 0.000 -13.614) 14.494 10.822 ( -9.403 0.000 -3.818) 10.149 10.867 ( 13.053 0.000 -9.192) 15.965 11.056 ( -13.723 0.000 -15.153) 20.444 11.434 ( 0.251 0.000 -18.793) 18.795 11.895 ( -6.436 0.000 6.726) 9.309 11.964 ( -6.841 0.000 4.798) 8.356 12.772 ( -1.977 0.000 -1.149) 2.286 12.899 ( -4.715 0.000 -5.036) 6.899 13.130 ( 1.630 0.000 9.244) 9.387 13.268 ( -1.420 0.000 2.892) 3.221 13.548 ( 4.886 0.000 -0.493) 4.911 13.656 ( 0.031 0.000 4.124) 4.124 13.886 ( 6.592 0.000 -13.346) 14.886 14.002 ( -0.833 0.000 -11.275) 11.306 14.341 ( -5.895 0.000 -8.329) 10.204 14.403 ( -6.998 0.000 10.121) 12.304 14.411 ( -9.903 0.000 -12.378) 15.852 14.964 ( -7.750 0.000 -8.773) 11.706 15.645 ( 9.252 0.000 4.932) 10.485 15.799 ( 21.433 0.000 17.835) 27.883 15.958 ( 2.818 0.000 -6.261) 6.866 16.380 ( 14.087 0.000 -9.008) 16.721 17.037 ( 8.449 0.000 25.291) 26.665 17.113 ( 21.734 0.000 21.658) 30.683 17.805 ( 4.207 0.000 -12.203) 12.908 18.056 ( -9.704 0.000 -20.913) 23.054 18.294 ( 8.956 0.000 13.630) 16.310 18.737 ( 3.408 0.000 -6.249) 7.118 19.282 ( 4.709 0.000 4.106) 6.248 19.404 ( 2.220 0.000 -1.454) 2.654 19.428 ( 1.483 0.000 13.095) 13.178 19.793 ( 13.620 0.000 6.377) 15.039 20.367 ( -18.276 0.000 -2.616) 18.463 20.849 ( -18.229 0.000 -17.147) 25.027 21.016 ( -6.862 0.000 3.413) 7.664 21.214 ( -10.276 0.000 -6.085) 11.943 ======================= Grid point 256 (85/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 5.863 0.000 -1.918) 6.169 2.566 ( -8.131 0.000 -8.885) 12.044 3.102 ( 2.089 0.000 -0.955) 2.297 3.161 ( 3.398 0.000 2.421) 4.172 3.184 ( -5.455 0.000 -3.796) 6.645 3.254 ( -6.023 0.000 -1.587) 6.229 3.424 ( 2.315 0.000 -1.437) 2.724 3.456 ( -0.951 0.000 -2.476) 2.653 3.731 ( 0.746 0.000 0.388) 0.840 3.770 ( -2.913 0.000 -0.728) 3.003 4.922 ( 3.915 0.000 5.906) 7.086 4.924 ( 4.249 0.000 6.554) 7.810 7.362 ( 9.512 0.000 5.481) 10.978 7.548 ( -7.964 0.000 -3.283) 8.614 8.036 ( 14.473 0.000 9.210) 17.155 8.384 ( -16.751 0.000 1.915) 16.860 8.744 ( 7.038 0.000 -16.465) 17.906 8.878 ( -4.335 0.000 -13.964) 14.621 9.418 ( 13.327 0.000 17.623) 22.095 9.643 ( -6.117 0.000 11.216) 12.776 10.079 ( 4.664 0.000 -1.704) 4.966 10.117 ( 7.682 0.000 21.071) 22.428 10.278 ( -14.810 0.000 -12.437) 19.339 10.283 ( -7.090 0.000 19.109) 20.382 10.815 ( 5.103 0.000 -4.750) 6.972 10.914 ( -4.068 0.000 -8.984) 9.862 11.128 ( 11.732 0.000 -9.405) 15.037 11.341 ( -8.130 0.000 -12.419) 14.843 11.817 ( -0.920 0.000 5.082) 5.165 11.852 ( -3.836 0.000 2.874) 4.793 12.761 ( 0.987 0.000 -3.590) 3.723 12.810 ( -3.574 0.000 -5.395) 6.471 13.164 ( 2.051 0.000 3.281) 3.869 13.219 ( -2.922 0.000 1.038) 3.101 13.704 ( 9.502 0.000 5.301) 10.881 13.745 ( 7.702 0.000 -4.649) 8.997 13.897 ( -6.891 0.000 3.399) 7.684 13.924 ( -7.536 0.000 -12.729) 14.792 14.233 ( -1.348 0.000 -5.241) 5.411 14.276 ( -4.310 0.000 -7.668) 8.796 14.419 ( 9.852 0.000 -8.645) 13.107 14.702 ( -14.912 0.000 -14.653) 20.907 15.855 ( 8.915 0.000 7.274) 11.506 15.975 ( -2.229 0.000 2.039) 3.021 16.217 ( 17.454 0.000 16.503) 24.021 16.475 ( -5.606 0.000 9.101) 10.689 17.312 ( 18.208 0.000 3.442) 18.531 17.523 ( 16.728 0.000 12.300) 20.764 17.725 ( -19.549 0.000 -10.332) 22.111 17.777 ( -6.996 0.000 0.043) 6.996 18.562 ( 14.757 0.000 8.583) 17.071 18.791 ( -3.696 0.000 -0.983) 3.825 19.375 ( 3.822 0.000 3.454) 5.152 19.424 ( -0.627 0.000 1.440) 1.571 19.486 ( 8.161 0.000 16.760) 18.641 19.778 ( -15.519 0.000 17.785) 23.604 20.257 ( 9.373 0.000 -20.689) 22.713 20.513 ( -14.039 0.000 -19.435) 23.976 20.938 ( 0.056 0.000 -2.921) 2.921 21.022 ( -7.402 0.000 -6.559) 9.890 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 0.000 -4.863 17.367) 18.035 2.599 ( 0.000 6.845 22.570) 23.585 2.784 ( 0.000 -0.400 -0.393) 0.561 3.143 ( 0.000 7.641 -7.315) 10.578 3.170 ( 0.000 3.128 -2.300) 3.882 3.420 ( 0.000 2.087 -16.315) 16.448 3.704 ( 0.000 -8.213 0.524) 8.229 3.711 ( 0.000 -6.969 -1.320) 7.093 3.876 ( 0.000 0.360 -6.186) 6.197 3.902 ( 0.000 0.088 -3.676) 3.678 4.248 ( 0.000 -3.764 10.437) 11.095 4.602 ( 0.000 -6.263 -7.118) 9.481 6.882 ( 0.000 10.146 15.695) 18.689 7.568 ( 0.000 -2.479 -14.182) 14.397 7.843 ( 0.000 6.404 -0.965) 6.477 7.898 ( 0.000 1.140 -3.672) 3.845 8.705 ( 0.000 0.808 27.333) 27.345 8.886 ( 0.000 1.057 18.351) 18.382 9.227 ( 0.000 -9.434 22.484) 24.383 9.536 ( 0.000 1.326 -11.535) 11.611 9.564 ( 0.000 6.301 5.682) 8.485 10.128 ( 0.000 4.203 4.071) 5.852 10.161 ( 0.000 -2.616 -7.657) 8.091 10.452 ( 0.000 -6.406 -12.710) 14.233 10.845 ( 0.000 10.982 -17.628) 20.769 10.861 ( 0.000 5.551 -20.755) 21.484 11.428 ( 0.000 -0.638 14.504) 14.518 12.177 ( 0.000 -5.473 -3.442) 6.466 12.249 ( 0.000 -5.088 1.028) 5.191 12.315 ( 0.000 -1.135 -17.425) 17.462 13.009 ( 0.000 0.876 9.754) 9.793 13.195 ( 0.000 -4.969 2.796) 5.702 13.264 ( 0.000 14.728 7.212) 16.399 13.346 ( 0.000 1.425 -4.634) 4.848 13.572 ( 0.000 -4.623 -5.958) 7.541 13.592 ( 0.000 -2.070 0.310) 2.093 13.757 ( 0.000 3.995 -3.137) 5.080 13.856 ( 0.000 -15.029 0.341) 15.033 14.279 ( 0.000 1.583 13.430) 13.523 14.369 ( 0.000 7.626 11.507) 13.805 14.642 ( 0.000 0.074 -0.104) 0.127 15.012 ( 0.000 1.019 -12.726) 12.766 15.384 ( 0.000 1.769 -10.859) 11.002 15.497 ( 0.000 7.882 14.423) 16.436 15.652 ( 0.000 5.539 -13.442) 14.539 16.051 ( 0.000 5.355 27.340) 27.860 16.473 ( 0.000 9.808 -27.251) 28.962 16.665 ( 0.000 -3.669 23.271) 23.558 17.230 ( 0.000 6.004 -20.070) 20.949 17.851 ( 0.000 -1.340 -25.362) 25.397 18.290 ( 0.000 -5.701 18.661) 19.513 18.652 ( 0.000 -21.537 7.812) 22.910 18.856 ( 0.000 -11.314 -5.623) 12.634 18.913 ( 0.000 -13.253 -5.543) 14.366 19.209 ( 0.000 0.190 -2.000) 2.009 19.217 ( 0.000 -6.110 1.205) 6.227 21.267 ( 0.000 9.353 11.026) 14.458 21.448 ( 0.000 5.676 9.809) 11.333 21.640 ( 0.000 1.663 -1.683) 2.366 21.758 ( 0.000 4.415 -11.891) 12.685 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -5.118 3.864 15.322) 16.610 2.698 ( 6.338 -1.514 17.655) 18.819 2.776 ( -0.413 0.196 -2.847) 2.884 3.139 ( -0.206 -0.335 -2.387) 2.419 3.281 ( 6.904 6.340 -3.787) 10.109 3.487 ( 4.495 3.000 -12.318) 13.451 3.663 ( -4.254 -7.408 -1.337) 8.647 3.675 ( -1.354 -6.548 -0.450) 6.702 3.826 ( -6.094 0.219 -3.404) 6.983 3.848 ( -2.588 1.335 -6.461) 7.087 4.292 ( 4.096 -4.460 9.596) 11.347 4.589 ( -0.850 -6.518 -5.702) 8.702 6.952 ( 6.378 11.223 15.596) 20.245 7.612 ( 3.862 -1.411 -9.844) 10.668 7.847 ( 0.373 8.449 2.782) 8.903 7.984 ( 7.836 1.150 -2.955) 8.453 8.726 ( 2.018 -0.207 16.562) 16.686 8.889 ( 1.318 -1.632 20.779) 20.884 9.266 ( 0.483 -7.567 5.195) 9.191 9.561 ( 1.959 5.917 1.431) 6.395 9.596 ( 5.337 3.250 4.159) 7.506 10.072 ( -1.339 1.359 4.378) 4.775 10.309 ( 8.411 -1.214 -8.984) 12.367 10.484 ( 3.433 -3.618 -10.288) 11.433 10.604 ( -10.793 4.707 -11.071) 16.162 11.062 ( 5.122 1.845 -13.119) 14.204 11.371 ( -2.300 4.823 3.196) 6.226 12.020 ( -16.021 -4.945 -13.931) 21.799 12.183 ( -6.877 -2.579 -2.343) 7.710 12.236 ( -5.164 -1.884 -2.053) 5.868 12.889 ( -8.329 -3.315 7.080) 11.423 13.107 ( -11.037 -3.975 -0.282) 11.734 13.182 ( -0.391 3.094 8.070) 8.651 13.361 ( 0.681 9.576 7.372) 12.104 13.572 ( 0.819 -8.330 -4.424) 9.467 13.641 ( 1.178 11.896 -3.905) 12.576 13.822 ( 6.833 1.630 -5.525) 8.937 13.960 ( 2.145 -7.053 -6.796) 10.026 14.237 ( 3.331 -5.055 15.562) 16.698 14.523 ( 7.006 3.592 3.447) 8.595 14.640 ( 0.859 0.358 0.990) 1.359 15.048 ( 2.916 2.599 -8.348) 9.217 15.345 ( -1.145 2.931 -2.727) 4.164 15.416 ( -5.760 6.811 10.593) 13.848 15.748 ( 10.105 1.530 -12.801) 16.380 16.224 ( 4.337 10.751 1.984) 11.762 16.312 ( -1.826 1.354 1.551) 2.751 16.759 ( 6.976 0.755 22.887) 23.938 17.388 ( 12.332 4.555 -21.597) 25.284 17.903 ( 4.890 -1.148 -23.837) 24.361 18.267 ( -1.629 -3.659 17.596) 18.046 18.737 ( 5.980 -25.880 5.286) 27.082 18.845 ( -1.418 -6.493 -7.686) 10.161 18.967 ( 3.910 -16.107 -5.483) 17.458 19.238 ( 4.669 -1.021 2.537) 5.411 19.268 ( 4.790 -4.507 2.006) 6.876 21.171 ( -8.975 10.274 9.647) 16.708 21.388 ( -5.557 5.395 8.975) 11.855 21.581 ( -5.956 2.101 -3.698) 7.319 21.645 ( -9.890 4.980 -10.334) 15.146 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -2.812 4.840 9.743) 11.236 2.758 ( -0.580 -0.027 -8.429) 8.449 2.870 ( 8.575 -1.502 13.255) 15.858 3.129 ( -1.409 -4.534 1.120) 4.878 3.318 ( -2.466 1.095 0.288) 2.714 3.487 ( -5.188 1.131 -4.415) 6.906 3.565 ( -5.070 -4.948 -4.855) 8.589 3.635 ( -6.441 1.523 -6.252) 9.105 3.750 ( 1.770 0.871 -3.403) 3.933 3.829 ( 1.422 0.441 -4.513) 4.753 4.425 ( 8.861 -6.572 8.146) 13.713 4.597 ( 2.405 -7.606 -1.940) 8.210 7.127 ( 9.875 14.105 14.720) 22.653 7.708 ( 5.014 2.453 1.616) 5.811 7.859 ( 0.708 10.679 2.826) 11.069 8.199 ( 11.960 1.170 -1.786) 12.149 8.783 ( 3.226 -2.694 3.525) 5.485 8.970 ( 6.192 -1.472 17.179) 18.320 9.169 ( -8.846 -1.842 -10.827) 14.102 9.609 ( 1.212 0.576 -4.689) 4.878 9.795 ( 11.627 4.823 17.113) 21.244 10.051 ( -0.964 1.920 6.848) 7.177 10.365 ( -3.725 -3.934 3.781) 6.607 10.486 ( 0.848 -5.668 -9.193) 10.833 10.646 ( 11.314 1.673 -9.319) 14.753 10.983 ( -9.103 -2.426 1.327) 9.514 11.429 ( 1.720 6.928 -19.693) 20.947 11.602 ( -17.962 5.806 -14.662) 23.902 12.014 ( -8.982 -4.108 2.457) 10.178 12.070 ( -9.827 -4.905 3.719) 11.595 12.750 ( -4.859 -7.379 0.899) 8.881 12.892 ( -8.753 -10.187 -1.628) 13.529 13.208 ( 2.895 9.838 11.448) 15.369 13.373 ( 0.450 7.219 6.157) 9.499 13.580 ( 0.807 -2.048 -1.515) 2.672 13.660 ( -1.149 9.793 -3.423) 10.438 13.888 ( -1.557 2.329 -6.076) 6.691 13.953 ( 2.018 2.824 -9.154) 9.789 14.317 ( 0.126 -7.743 -0.548) 7.763 14.597 ( -7.065 -1.506 -11.531) 13.607 14.686 ( 9.580 3.676 7.688) 12.821 15.037 ( -3.479 11.306 6.175) 13.344 15.375 ( 6.309 -5.300 -1.284) 8.339 15.520 ( 13.664 2.750 11.449) 18.037 15.942 ( -2.725 3.949 -19.175) 19.766 16.060 ( 4.804 -1.508 -9.818) 11.034 16.647 ( 19.558 1.003 24.545) 31.400 16.952 ( 11.649 5.657 24.500) 27.712 17.643 ( 10.590 1.439 -19.120) 21.904 18.044 ( 7.897 0.323 -20.221) 21.711 18.242 ( -0.540 -0.443 13.832) 13.849 18.739 ( -5.747 -6.415 -7.997) 11.753 18.871 ( 4.415 -24.360 3.949) 25.070 19.029 ( 1.571 -19.373 -3.948) 19.833 19.408 ( 7.797 -3.357 5.061) 9.883 19.438 ( 13.194 -4.603 6.048) 15.226 20.913 ( -14.932 13.193 5.300) 20.618 21.225 ( -10.242 4.760 3.969) 11.972 21.336 ( -15.229 7.136 -10.091) 19.613 21.451 ( -9.010 2.699 -3.955) 10.204 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 1.123 5.037 4.333) 6.738 2.720 ( -3.783 1.281 -11.710) 12.372 3.021 ( 3.850 -3.301 5.361) 7.380 3.090 ( 0.346 -2.684 6.833) 7.350 3.241 ( -4.807 -5.134 -1.558) 7.203 3.366 ( -5.705 -1.429 1.196) 6.002 3.453 ( -4.089 2.063 -6.991) 8.357 3.507 ( -4.669 0.559 -6.915) 8.362 3.769 ( 0.141 3.475 -1.581) 3.820 3.844 ( -0.910 1.385 -2.671) 3.143 4.638 ( 10.125 -10.076 6.224) 15.582 4.691 ( 5.753 -9.834 2.173) 11.598 7.346 ( 10.738 17.520 11.692) 23.643 7.805 ( 1.675 10.958 -6.088) 12.647 7.883 ( 4.298 8.560 14.604) 17.465 8.447 ( 10.523 1.123 1.277) 10.659 8.848 ( 1.586 -1.486 -9.444) 9.691 8.914 ( -13.134 2.573 -16.577) 21.305 9.138 ( 8.784 -2.399 15.994) 18.405 9.615 ( -0.054 -5.587 0.536) 5.613 9.894 ( -1.749 -4.453 11.940) 12.863 10.132 ( 7.725 6.227 14.337) 17.436 10.308 ( -3.007 -5.045 14.163) 15.332 10.453 ( -6.340 -12.307 -15.357) 20.676 10.833 ( -1.398 6.534 -0.702) 6.719 10.901 ( 11.431 0.392 -7.565) 13.713 11.163 ( -12.602 8.277 -9.379) 17.756 11.534 ( -2.686 8.954 -17.255) 19.624 11.838 ( -6.412 -5.205 5.091) 9.702 11.899 ( -5.851 -5.573 2.677) 8.512 12.670 ( -2.893 -9.854 -3.820) 10.957 12.744 ( -5.702 -11.650 -4.078) 13.596 13.275 ( 2.231 12.422 9.387) 15.729 13.371 ( -0.993 7.725 1.455) 7.924 13.598 ( 1.619 -4.191 2.269) 5.033 13.653 ( 3.086 9.315 -3.410) 10.388 13.852 ( -1.832 -7.479 -4.278) 8.809 14.026 ( 4.291 12.629 -10.001) 16.671 14.267 ( -3.918 -4.007 -5.719) 8.007 14.370 ( -13.311 -1.437 -12.482) 18.304 14.766 ( -0.319 24.913 3.829) 25.208 15.072 ( 2.523 5.827 1.391) 6.501 15.490 ( 4.962 -7.573 0.373) 9.062 15.780 ( 3.238 -10.006 -2.646) 10.845 15.925 ( 12.947 3.222 8.204) 15.663 16.282 ( 9.552 -10.989 -3.578) 14.993 17.043 ( 17.634 0.882 17.027) 24.529 17.240 ( 15.570 9.522 21.013) 27.833 17.788 ( 2.585 -1.346 -11.892) 12.244 18.125 ( -5.154 6.777 -16.244) 18.340 18.279 ( 7.169 -1.143 12.869) 14.775 18.682 ( 2.890 -5.835 -5.522) 8.537 18.944 ( 1.512 -26.558 3.667) 26.852 19.029 ( -1.162 -21.986 -0.223) 22.018 19.554 ( 5.736 -2.080 10.138) 11.832 19.704 ( 10.125 -9.475 9.078) 16.574 20.599 ( -13.195 18.484 -3.796) 23.026 20.930 ( -16.149 7.957 -13.886) 22.736 21.093 ( -7.802 6.585 0.178) 10.211 21.250 ( -9.794 3.208 -5.924) 11.887 ======================= Grid point 265 (90/120) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 5.317 4.475 -1.684) 7.151 2.596 ( -7.241 2.962 -7.805) 11.051 3.055 ( 2.281 -3.805 -0.203) 4.441 3.124 ( -3.128 -4.440 1.648) 5.676 3.167 ( 1.963 -0.893 -0.181) 2.164 3.247 ( -5.111 -0.930 0.410) 5.212 3.419 ( 0.272 -0.613 -4.102) 4.157 3.444 ( -1.881 -1.198 -5.248) 5.702 3.779 ( 1.046 4.409 0.465) 4.555 3.810 ( -1.831 3.843 -0.379) 4.274 4.790 ( 3.718 -12.354 5.528) 14.036 4.794 ( 3.182 -11.977 4.944) 13.342 7.561 ( 9.605 19.320 5.947) 22.380 7.734 ( -6.564 17.935 -2.239) 19.229 8.096 ( 14.456 6.031 9.501) 18.320 8.435 ( -15.113 5.066 3.328) 16.283 8.766 ( 4.777 2.623 -17.300) 18.138 8.862 ( -2.423 -1.134 -12.197) 12.487 9.355 ( 11.639 -6.357 15.461) 20.369 9.566 ( -6.619 -7.653 8.253) 13.057 9.897 ( 4.423 -10.826 7.727) 14.017 10.094 ( -13.449 -10.211 0.811) 16.906 10.264 ( 5.242 4.441 9.364) 11.614 10.360 ( -3.399 -0.493 3.896) 5.194 10.890 ( 4.605 8.133 -3.224) 9.887 10.979 ( -3.985 6.589 -6.857) 10.311 11.168 ( 11.026 2.565 -3.615) 11.883 11.390 ( -9.581 3.717 -7.711) 12.849 11.772 ( -0.259 -2.945 1.681) 3.401 11.810 ( -3.278 -2.598 -0.980) 4.296 12.633 ( -0.502 -11.546 -6.038) 13.039 12.655 ( -2.671 -12.177 -5.843) 13.768 13.295 ( 0.726 10.009 4.118) 10.847 13.328 ( -2.370 9.345 1.357) 9.736 13.706 ( 5.628 -1.513 -4.284) 7.233 13.754 ( 4.101 -1.644 -2.344) 5.002 13.829 ( 3.158 -0.584 -0.230) 3.219 14.058 ( -11.882 7.129 -3.086) 14.196 14.119 ( 1.178 2.623 -9.429) 9.858 14.187 ( -4.049 -1.665 -6.265) 7.643 14.815 ( 5.831 28.028 -5.074) 29.075 14.982 ( -8.672 22.254 -9.748) 25.796 15.650 ( 8.583 -16.486 7.902) 20.197 15.777 ( -2.992 -17.063 3.338) 17.642 16.227 ( 12.205 -2.851 10.414) 16.296 16.377 ( -1.381 -10.690 4.154) 11.551 17.382 ( 15.113 2.479 5.093) 16.140 17.542 ( 8.683 1.800 6.514) 11.003 17.749 ( -3.179 5.076 0.718) 6.032 17.908 ( -12.130 11.803 -0.385) 16.929 18.507 ( 13.193 -5.480 8.411) 16.578 18.742 ( -5.090 -5.075 -0.189) 7.190 18.932 ( 3.014 -28.301 2.403) 28.562 19.014 ( -1.763 -25.382 0.517) 25.448 19.661 ( 5.349 -1.351 15.008) 15.990 19.776 ( -3.547 -7.413 16.163) 18.132 20.469 ( 2.145 18.506 -16.654) 24.989 20.632 ( -11.771 11.833 -18.594) 24.986 21.001 ( -0.567 5.527 -3.550) 6.593 21.070 ( -6.699 4.322 -6.525) 10.302 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 0.000 0.218 12.683) 12.685 2.688 ( 0.000 1.130 3.894) 4.054 2.884 ( 0.000 11.024 14.420) 18.151 3.214 ( 0.000 0.056 -1.636) 1.637 3.311 ( 0.000 8.435 -4.605) 9.610 3.456 ( 0.000 -1.861 -9.777) 9.953 3.498 ( 0.000 -8.997 -1.552) 9.130 3.602 ( 0.000 -2.288 -2.321) 3.259 3.841 ( 0.000 -3.855 -7.715) 8.624 3.880 ( 0.000 -2.574 -5.707) 6.261 4.164 ( 0.000 -3.813 5.260) 6.497 4.446 ( 0.000 -9.049 -7.480) 11.740 7.118 ( 0.000 12.454 8.271) 14.950 7.518 ( 0.000 -2.692 -9.456) 9.832 7.928 ( 0.000 2.020 0.268) 2.038 7.961 ( 0.000 4.706 -1.584) 4.965 8.753 ( 0.000 2.832 24.118) 24.283 8.949 ( 0.000 6.958 19.835) 21.020 9.044 ( 0.000 -8.802 19.930) 21.788 9.484 ( 0.000 -5.493 -2.299) 5.955 9.745 ( 0.000 10.886 0.617) 10.903 10.104 ( 0.000 -2.666 -7.741) 8.188 10.216 ( 0.000 3.346 5.821) 6.714 10.340 ( 0.000 -5.462 -3.394) 6.431 11.037 ( 0.000 12.357 -12.079) 17.280 11.050 ( 0.000 9.327 -17.123) 19.499 11.413 ( 0.000 -0.396 0.038) 0.398 12.063 ( 0.000 -6.244 -7.304) 9.609 12.136 ( 0.000 -5.553 2.836) 6.235 12.225 ( 0.000 -8.240 -15.647) 17.684 13.050 ( 0.000 2.489 6.720) 7.166 13.102 ( 0.000 -3.304 2.411) 4.090 13.325 ( 0.000 -7.112 -0.626) 7.140 13.416 ( 0.000 -6.186 -7.785) 9.943 13.448 ( 0.000 -3.789 1.354) 4.023 13.553 ( 0.000 -9.344 0.069) 9.345 13.661 ( 0.000 14.486 9.858) 17.522 13.973 ( 0.000 11.424 -4.647) 12.333 14.333 ( 0.000 3.754 9.859) 10.549 14.475 ( 0.000 2.582 3.013) 3.968 14.684 ( 0.000 5.688 7.112) 9.107 15.042 ( 0.000 3.784 -16.531) 16.958 15.405 ( 0.000 -0.368 -9.135) 9.142 15.513 ( 0.000 -7.860 5.438) 9.558 15.919 ( 0.000 19.441 5.310) 20.153 16.172 ( 0.000 6.241 24.081) 24.876 16.639 ( 0.000 2.910 15.254) 15.529 16.737 ( 0.000 16.269 -26.086) 30.744 17.352 ( 0.000 5.093 -15.475) 16.292 17.825 ( 0.000 -0.901 -23.169) 23.186 18.094 ( 0.000 -32.692 7.753) 33.599 18.115 ( 0.000 -11.865 12.697) 17.378 18.605 ( 0.000 -15.134 -7.457) 16.872 18.640 ( 0.000 -11.369 -0.244) 11.371 19.104 ( 0.000 -4.766 4.619) 6.637 19.159 ( 0.000 -4.209 -0.793) 4.283 21.469 ( 0.000 10.058 7.544) 12.573 21.588 ( 0.000 7.991 5.876) 9.919 21.681 ( 0.000 1.977 -0.372) 2.012 21.830 ( 0.000 2.155 -9.031) 9.284 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 0.242 2.468 8.711) 9.057 2.701 ( 1.902 0.819 5.243) 5.637 2.854 ( -1.172 8.619 9.237) 12.688 3.139 ( -4.238 -0.161 -1.501) 4.499 3.374 ( -1.509 -1.577 3.445) 4.079 3.476 ( -1.236 -6.335 -3.835) 7.508 3.525 ( 6.038 -2.858 -5.573) 8.700 3.604 ( 2.013 3.072 -5.443) 6.566 3.804 ( -4.713 -2.788 -5.849) 8.012 3.844 ( -1.293 -1.495 -8.413) 8.642 4.195 ( 2.871 -4.368 4.639) 6.989 4.432 ( -1.046 -8.763 -6.317) 10.853 7.212 ( 8.709 13.642 8.695) 18.373 7.592 ( 6.731 -1.090 -6.448) 9.384 7.994 ( 4.478 4.528 3.692) 7.361 8.042 ( 8.372 5.719 -1.560) 10.258 8.752 ( -1.882 2.567 20.221) 20.470 8.844 ( -1.129 -2.606 20.951) 21.142 9.162 ( 4.030 -2.196 5.741) 7.350 9.552 ( 5.576 -5.636 -5.447) 9.619 9.749 ( 1.789 11.152 10.569) 15.469 10.100 ( -0.884 1.336 2.853) 3.272 10.275 ( 3.104 -2.839 -3.586) 5.528 10.381 ( 4.763 -6.406 -7.557) 10.992 10.778 ( -13.782 12.924 -8.757) 20.825 11.138 ( -1.180 5.766 -2.621) 6.443 11.440 ( 2.784 0.671 -12.259) 12.589 11.884 ( -12.324 -7.814 -5.136) 15.470 12.126 ( -4.138 -3.514 -2.186) 5.852 12.171 ( -5.437 -4.123 -12.156) 13.940 12.837 ( -14.165 -2.020 3.697) 14.778 12.987 ( -16.349 -6.292 -1.531) 17.585 13.225 ( 3.415 0.221 5.362) 6.361 13.381 ( 4.509 -7.651 -0.686) 8.907 13.609 ( 0.874 7.535 6.741) 10.148 13.717 ( 10.137 -6.581 -0.155) 12.087 13.836 ( 13.971 5.982 -1.736) 15.297 14.032 ( 4.113 14.221 -8.486) 17.064 14.220 ( -5.435 2.422 12.551) 13.890 14.515 ( -0.062 -3.196 -1.901) 3.719 14.711 ( 1.707 6.799 3.995) 8.068 15.041 ( 0.980 0.488 -16.555) 16.591 15.380 ( 1.635 -0.478 1.337) 2.166 15.622 ( 5.751 -5.219 4.786) 9.122 15.769 ( -8.055 15.288 6.795) 18.569 16.323 ( 5.696 1.153 13.091) 14.323 16.528 ( -3.718 17.812 -6.575) 19.347 16.832 ( 8.086 7.367 6.647) 12.800 17.466 ( 8.465 1.543 -16.474) 18.586 17.889 ( 6.266 0.296 -21.020) 21.936 18.115 ( 1.895 -23.775 9.157) 25.547 18.185 ( 6.175 -16.931 9.387) 20.320 18.612 ( 0.805 -14.866 -5.706) 15.944 18.707 ( 4.288 -9.307 -3.798) 10.929 19.143 ( 3.727 -6.462 4.835) 8.890 19.164 ( 1.469 -5.941 2.202) 6.504 21.392 ( -7.223 10.937 6.234) 14.513 21.522 ( -6.091 7.516 5.055) 10.916 21.630 ( -4.837 2.289 -1.272) 5.500 21.731 ( -9.063 2.959 -8.766) 12.952 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -1.547 6.975 4.447) 8.416 2.754 ( 1.755 -0.262 -2.704) 3.234 2.887 ( 4.568 3.829 8.394) 10.295 3.062 ( -3.180 -2.189 1.341) 4.087 3.264 ( -6.969 -6.124 4.413) 10.273 3.402 ( -4.901 -7.792 1.797) 9.379 3.558 ( -2.394 1.548 -4.924) 5.690 3.644 ( -6.550 -0.822 -8.022) 10.389 3.768 ( 6.409 1.605 -5.311) 8.477 3.853 ( 1.644 1.550 -7.627) 7.954 4.282 ( 5.414 -6.718 3.881) 9.461 4.423 ( 0.721 -9.103 -3.201) 9.676 7.457 ( 14.075 17.295 9.672) 24.306 7.777 ( 10.347 3.763 2.007) 11.191 8.085 ( 4.295 10.202 6.017) 12.599 8.274 ( 12.497 7.620 -1.376) 14.702 8.696 ( -0.801 -5.011 19.046) 19.711 8.948 ( 8.044 -1.377 7.115) 10.827 9.162 ( -3.070 1.681 -5.480) 6.502 9.618 ( -1.711 -1.161 -11.624) 11.806 9.844 ( 5.104 1.060 15.402) 16.260 10.062 ( -2.834 -1.381 5.787) 6.590 10.256 ( -4.293 -7.084 -2.995) 8.808 10.417 ( -4.795 -2.941 -6.662) 8.719 10.669 ( 7.037 4.894 0.507) 8.587 11.065 ( -3.668 9.809 0.220) 10.475 11.430 ( -5.997 -8.240 -8.479) 13.258 11.716 ( -0.518 3.010 -9.923) 10.383 11.945 ( -12.557 -2.830 -1.126) 12.921 12.000 ( -9.880 1.157 -8.162) 12.867 12.583 ( -9.407 -8.675 -2.077) 12.964 12.680 ( -11.376 -10.968 -3.558) 16.198 13.357 ( 7.965 5.073 4.826) 10.605 13.468 ( 2.844 -1.935 3.991) 5.269 13.597 ( -1.280 9.592 3.330) 10.234 13.826 ( -3.261 -3.092 -3.672) 5.803 13.986 ( 1.474 18.345 -2.763) 18.610 14.117 ( 4.937 -0.987 1.980) 5.410 14.234 ( 5.238 9.416 -1.705) 10.909 14.520 ( -0.910 -6.682 -5.310) 8.583 14.717 ( 3.002 3.856 -0.897) 4.969 15.122 ( 6.784 -6.318 -13.197) 16.128 15.468 ( -0.326 11.528 9.549) 14.973 15.604 ( 4.408 9.702 14.652) 18.118 15.817 ( 6.967 -16.517 -0.376) 17.930 16.177 ( -12.104 12.024 -14.959) 22.691 16.716 ( 14.563 5.930 14.134) 21.143 17.062 ( 13.347 4.991 13.104) 19.359 17.631 ( 6.948 -4.400 -11.264) 13.947 18.074 ( 10.240 2.160 -13.978) 17.462 18.168 ( 3.312 -16.534 6.880) 18.212 18.345 ( 8.468 -13.423 6.119) 17.010 18.604 ( -2.575 -10.589 -5.390) 12.157 18.744 ( -1.061 -6.275 -4.748) 7.940 19.256 ( 6.223 -10.794 6.438) 14.024 19.263 ( 8.214 -11.994 6.856) 16.073 21.188 ( -11.570 13.267 2.257) 17.747 21.351 ( -9.899 7.150 1.593) 12.315 21.467 ( -12.126 5.348 -7.301) 15.131 21.505 ( -9.683 2.253 -4.270) 10.820 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 1.021 7.895 2.090) 8.231 2.755 ( -1.873 1.966 -8.162) 8.601 2.967 ( 0.248 -2.129 2.892) 3.599 3.040 ( 3.011 -1.191 8.448) 9.048 3.125 ( -5.311 -6.525 1.064) 8.480 3.301 ( -4.456 -4.691 2.795) 7.048 3.478 ( -4.624 0.035 -5.713) 7.350 3.503 ( -5.948 -1.199 -8.597) 10.523 3.850 ( 1.836 4.441 -3.199) 5.773 3.894 ( 1.664 3.559 -3.034) 4.964 4.409 ( 6.058 -11.721 3.440) 13.635 4.466 ( 2.895 -11.776 0.334) 12.131 7.770 ( 15.262 22.989 9.439) 29.164 7.999 ( 10.822 9.854 10.893) 18.245 8.174 ( 3.683 17.162 1.616) 17.627 8.517 ( 9.875 7.494 0.241) 12.399 8.743 ( 4.695 -7.373 7.655) 11.619 9.029 ( -6.011 3.310 -5.686) 8.912 9.124 ( 3.153 5.048 -4.935) 7.731 9.485 ( -7.380 -6.095 0.332) 9.577 9.796 ( -8.896 -5.059 4.092) 11.022 10.039 ( -1.075 -16.074 -0.680) 16.124 10.200 ( -0.128 -10.357 2.501) 10.656 10.281 ( -8.169 -3.440 1.263) 8.953 10.874 ( 11.652 3.529 4.702) 13.051 11.067 ( 3.758 12.091 -0.574) 12.674 11.285 ( -6.315 2.587 2.145) 7.153 11.660 ( -12.771 -5.332 4.602) 14.585 11.774 ( 2.274 7.205 -15.451) 17.199 11.835 ( -4.063 1.238 -7.929) 8.995 12.431 ( -5.382 -13.040 -6.737) 15.633 12.508 ( -5.971 -12.308 -7.130) 15.426 13.466 ( -0.705 2.112 3.297) 3.978 13.540 ( 6.040 8.617 4.706) 11.528 13.583 ( 0.562 4.487 0.927) 4.616 13.693 ( -5.382 0.047 -7.720) 9.412 13.963 ( -3.878 12.394 1.599) 13.084 14.191 ( 2.388 0.515 0.432) 2.481 14.352 ( 3.766 18.016 -7.406) 19.840 14.392 ( -7.314 2.619 -10.062) 12.713 14.937 ( 14.191 -6.656 8.163) 17.673 15.282 ( 7.094 -10.930 -5.595) 14.180 15.398 ( -2.303 26.310 7.721) 27.517 15.776 ( 2.576 1.544 3.267) 4.438 15.945 ( 2.652 -11.855 1.045) 12.193 15.978 ( 0.206 -1.015 -9.592) 9.648 17.025 ( 14.417 -4.258 10.702) 18.453 17.336 ( 10.856 -3.287 5.277) 12.510 17.768 ( 7.095 -0.924 3.717) 8.063 18.230 ( 5.073 -9.376 8.026) 13.344 18.282 ( 5.300 5.832 -8.157) 11.342 18.490 ( -3.504 -6.141 4.783) 8.536 18.521 ( 4.786 -9.248 -2.148) 10.632 18.702 ( -2.422 -9.080 -3.494) 10.026 19.378 ( 5.120 -14.191 10.065) 18.136 19.440 ( 7.043 -16.686 8.976) 20.214 20.952 ( -9.764 15.993 -4.281) 19.221 21.116 ( -12.148 9.567 -9.056) 17.920 21.224 ( -8.990 5.868 -3.826) 11.397 21.314 ( -8.912 2.545 -5.641) 10.850 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 4.026 7.102 -0.569) 8.184 2.676 ( -5.074 4.895 -4.580) 8.408 2.973 ( 1.200 -4.537 1.893) 5.060 3.017 ( -3.076 -6.118 4.267) 8.068 3.150 ( 4.170 -0.241 -0.792) 4.251 3.223 ( -3.122 -1.163 0.889) 3.448 3.394 ( -2.458 -2.111 -6.141) 6.944 3.405 ( -3.219 -2.947 -7.749) 8.894 3.885 ( 1.659 6.219 0.212) 6.440 3.908 ( -0.307 5.915 -0.234) 5.927 4.503 ( 2.604 -15.306 3.621) 15.943 4.516 ( 1.284 -14.931 2.860) 15.256 8.052 ( 10.464 28.448 7.452) 31.214 8.188 ( -2.004 26.301 1.052) 26.398 8.264 ( 14.301 10.835 10.067) 20.573 8.574 ( -9.699 8.923 5.343) 14.221 8.838 ( 3.261 0.512 -7.892) 8.554 8.877 ( -2.111 6.830 -17.308) 18.727 9.199 ( 6.019 -7.818 10.853) 14.667 9.376 ( -7.529 -10.561 4.623) 13.769 9.671 ( 1.818 -11.830 4.608) 12.825 9.854 ( -12.815 -13.419 -3.570) 18.896 10.218 ( 0.561 -10.756 2.314) 11.016 10.219 ( 0.899 -15.123 2.235) 15.314 11.087 ( 5.459 10.401 2.527) 12.015 11.143 ( -0.082 8.976 -0.476) 8.989 11.225 ( 5.673 4.274 6.651) 9.730 11.422 ( -10.251 -0.452 6.823) 12.322 11.786 ( 1.403 4.659 -7.556) 8.987 11.822 ( -0.877 4.559 -12.639) 13.465 12.368 ( -0.440 -14.149 -8.572) 16.549 12.407 ( -3.726 -12.719 -8.821) 15.921 13.462 ( 0.902 5.597 0.729) 5.716 13.504 ( -3.105 6.271 0.866) 7.051 13.658 ( 1.150 -4.062 -5.072) 6.599 13.684 ( 1.430 -0.944 -6.073) 6.310 13.923 ( 3.516 9.325 3.530) 10.572 14.094 ( -9.918 4.867 -3.279) 11.524 14.352 ( 3.084 14.674 -2.977) 15.287 14.399 ( -0.456 18.019 -3.963) 18.455 15.203 ( 9.941 -10.963 9.210) 17.431 15.330 ( -2.545 -8.387 7.014) 11.225 15.449 ( 6.808 24.227 -5.168) 25.690 15.630 ( -9.909 19.680 -8.537) 23.630 16.047 ( 4.474 -14.872 1.938) 15.651 16.065 ( 2.716 -19.318 -0.751) 19.522 17.291 ( 10.435 -13.196 3.578) 17.200 17.431 ( -2.024 -15.993 -2.603) 16.329 17.968 ( 11.719 13.212 14.241) 22.687 18.205 ( -9.849 17.262 6.559) 20.928 18.353 ( 5.958 -10.208 6.273) 13.381 18.448 ( -1.768 -13.682 5.420) 14.823 18.626 ( 2.953 -8.328 -0.538) 8.853 18.658 ( -1.240 -6.379 -3.439) 7.352 19.468 ( 3.612 -16.086 12.673) 20.794 19.515 ( 0.003 -17.621 11.733) 21.170 20.829 ( -1.324 16.291 -11.335) 19.890 20.899 ( -7.576 13.281 -13.775) 20.580 21.112 ( -1.597 4.867 -5.089) 7.221 21.156 ( -5.447 3.635 -6.843) 9.471 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 0.000 5.415 8.669) 10.221 2.688 ( 0.000 -1.827 4.417) 4.780 3.080 ( 0.000 5.989 8.666) 10.534 3.227 ( 0.000 -10.781 2.177) 10.998 3.232 ( 0.000 6.550 0.190) 6.552 3.390 ( 0.000 -5.334 -1.058) 5.438 3.539 ( 0.000 7.701 -8.086) 11.167 3.633 ( 0.000 2.275 -2.952) 3.727 3.744 ( 0.000 -3.969 -9.491) 10.287 3.800 ( 0.000 -5.428 -6.428) 8.413 4.149 ( 0.000 3.067 -1.971) 3.646 4.270 ( 0.000 -8.356 -6.509) 10.592 7.328 ( 0.000 8.532 0.058) 8.532 7.452 ( 0.000 -4.471 -5.605) 7.170 7.977 ( 0.000 2.643 1.800) 3.198 8.008 ( 0.000 0.089 0.197) 0.216 8.801 ( 0.000 2.996 21.564) 21.771 8.893 ( 0.000 -6.415 20.726) 21.696 9.149 ( 0.000 11.511 14.919) 18.843 9.347 ( 0.000 -8.420 5.011) 9.798 9.953 ( 0.000 9.425 -2.627) 9.784 10.067 ( 0.000 -1.990 -6.153) 6.467 10.228 ( 0.000 -1.504 9.124) 9.247 10.237 ( 0.000 -4.021 6.194) 7.385 11.194 ( 0.000 5.179 -11.138) 12.283 11.236 ( 0.000 2.779 1.938) 3.388 11.513 ( 0.000 14.699 -26.726) 30.501 11.864 ( 0.000 -16.430 -24.168) 29.224 12.058 ( 0.000 -1.997 3.919) 4.399 12.072 ( 0.000 -4.070 1.675) 4.401 13.091 ( 0.000 2.059 1.083) 2.326 13.097 ( 0.000 3.171 -0.414) 3.198 13.167 ( 0.000 -6.026 -1.639) 6.244 13.234 ( 0.000 -9.717 -3.882) 10.464 13.427 ( 0.000 -0.469 2.375) 2.421 13.432 ( 0.000 -1.872 0.584) 1.961 13.970 ( 0.000 12.166 7.533) 14.309 14.092 ( 0.000 -0.126 2.346) 2.349 14.413 ( 0.000 3.960 3.594) 5.348 14.474 ( 0.000 -2.002 0.511) 2.066 14.896 ( 0.000 15.585 10.402) 18.738 15.175 ( 0.000 6.765 -14.935) 16.396 15.252 ( 0.000 -15.190 10.274) 18.338 15.346 ( 0.000 -5.969 -9.599) 11.303 16.222 ( 0.000 8.388 6.059) 10.348 16.265 ( 0.000 2.376 13.767) 13.971 16.870 ( 0.000 22.093 12.516) 25.392 17.073 ( 0.000 17.036 -19.016) 25.531 17.347 ( 0.000 -7.792 -11.929) 14.249 17.438 ( 0.000 -32.826 11.091) 34.649 17.830 ( 0.000 1.551 -18.409) 18.474 17.901 ( 0.000 -7.198 -5.816) 9.254 18.402 ( 0.000 -4.573 -0.430) 4.593 18.440 ( 0.000 -7.593 2.518) 8.000 19.049 ( 0.000 -0.620 3.273) 3.331 19.078 ( 0.000 -3.325 0.925) 3.451 21.629 ( 0.000 5.880 4.302) 7.286 21.695 ( 0.000 -1.016 1.666) 1.952 21.736 ( 0.000 6.529 0.853) 6.585 21.827 ( 0.000 -2.530 -4.438) 5.109 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 2.056 5.063 6.442) 8.447 2.705 ( 1.526 -1.473 3.756) 4.314 3.038 ( -3.220 7.474 7.924) 11.359 3.154 ( -4.590 2.014 -3.812) 6.297 3.210 ( -2.739 -6.569 7.020) 9.997 3.335 ( -4.737 -8.352 0.485) 9.614 3.603 ( 3.302 6.127 -6.834) 9.754 3.688 ( 3.698 4.904 -4.534) 7.634 3.720 ( -3.000 -5.239 -7.489) 9.620 3.790 ( 1.527 -4.261 -8.033) 9.221 4.167 ( 1.626 2.214 -1.699) 3.230 4.269 ( -0.028 -7.396 -5.642) 9.302 7.436 ( 10.105 8.672 0.821) 13.341 7.552 ( 9.286 -3.493 -4.150) 10.755 8.071 ( 7.796 3.837 4.648) 9.854 8.116 ( 9.800 0.360 1.702) 9.953 8.792 ( -3.024 0.941 20.052) 20.300 8.805 ( -2.224 -1.091 20.527) 20.676 9.213 ( 3.501 7.315 5.273) 9.673 9.394 ( 3.870 -9.669 0.096) 10.415 9.984 ( 2.013 11.857 7.067) 13.949 10.138 ( 2.489 2.522 -1.727) 3.942 10.179 ( -2.330 -6.317 5.847) 8.918 10.250 ( 1.524 -6.838 -0.913) 7.065 11.051 ( -11.348 12.880 -8.349) 19.089 11.227 ( -1.393 -2.245 2.883) 3.910 11.444 ( -6.578 6.844 -20.116) 22.243 11.694 ( -8.769 -13.154 -10.549) 19.005 12.073 ( -0.967 0.094 -3.719) 3.843 12.110 ( 0.392 -2.570 -10.217) 10.543 12.819 ( -18.839 0.653 0.242) 18.852 12.874 ( -20.034 -4.796 -1.732) 20.672 13.225 ( 9.161 1.002 2.509) 9.551 13.276 ( 8.538 -3.763 -0.153) 9.331 13.595 ( 9.533 -2.100 0.924) 9.805 13.615 ( 7.776 -3.172 0.042) 8.398 14.086 ( 9.440 12.006 5.860) 16.359 14.202 ( 9.102 0.697 2.940) 9.591 14.310 ( -7.164 6.589 1.402) 9.834 14.429 ( -4.188 -5.335 -1.180) 6.884 14.920 ( 0.683 14.956 4.054) 15.510 15.135 ( -2.849 6.673 -14.663) 16.360 15.273 ( 2.734 -11.098 7.662) 13.760 15.372 ( 2.272 -12.413 -2.034) 12.782 16.126 ( -5.773 15.104 10.033) 19.029 16.306 ( 0.972 -3.949 7.991) 8.967 16.925 ( 2.685 23.034 3.702) 23.484 17.055 ( 1.026 14.473 -8.667) 16.901 17.370 ( 2.029 -11.672 -8.493) 14.577 17.496 ( 5.516 -30.554 11.637) 33.157 17.927 ( 8.841 3.136 -16.451) 18.938 18.010 ( 9.326 -6.090 -7.284) 13.308 18.451 ( 4.849 -1.070 1.361) 5.149 18.532 ( 7.433 -7.831 0.922) 10.837 19.048 ( -0.087 -2.426 3.599) 4.342 19.061 ( -1.451 -3.610 2.142) 4.441 21.565 ( -5.917 6.396 3.249) 9.299 21.632 ( -5.942 0.393 1.075) 6.051 21.673 ( -5.713 4.363 0.001) 7.188 21.744 ( -7.654 -1.719 -4.703) 9.146 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 0.798 6.012 1.899) 6.355 2.743 ( 1.772 -1.817 1.006) 2.730 2.988 ( -1.358 4.927 5.297) 7.360 3.067 ( -3.140 2.025 -2.372) 4.426 3.127 ( -5.019 -4.347 9.189) 11.336 3.241 ( -3.580 -8.531 3.794) 10.000 3.572 ( -4.321 0.685 -6.496) 7.832 3.606 ( -6.459 -2.542 -8.248) 10.780 3.819 ( 6.619 3.252 -5.451) 9.170 3.867 ( 4.294 -0.863 -6.396) 7.752 4.207 ( 1.966 -0.148 -0.625) 2.068 4.271 ( 0.191 -5.992 -3.244) 6.816 7.728 ( 17.238 9.353 3.017) 19.843 7.819 ( 15.653 -0.438 -0.150) 15.660 8.242 ( 7.826 7.338 11.253) 15.547 8.370 ( 12.682 -3.196 7.452) 15.053 8.714 ( -0.520 9.188 16.638) 19.014 8.885 ( 7.445 -5.800 8.271) 12.548 9.252 ( 0.170 8.208 -4.446) 9.337 9.475 ( 3.204 -12.388 -9.858) 16.152 9.925 ( -9.143 6.039 10.732) 15.337 10.010 ( -10.602 -3.255 5.065) 12.192 10.178 ( -3.286 0.927 -3.609) 4.968 10.292 ( -1.936 -8.324 -6.759) 10.896 10.882 ( -0.326 14.437 3.635) 14.891 11.179 ( -2.224 -15.011 2.389) 15.361 11.311 ( -2.541 14.031 -2.265) 14.438 11.587 ( -3.740 -12.876 -3.314) 13.812 12.014 ( -3.758 6.001 -11.658) 13.640 12.055 ( -5.054 2.098 -14.211) 15.228 12.449 ( -15.221 -3.742 -3.898) 16.152 12.488 ( -15.225 -7.454 -4.480) 17.534 13.436 ( 8.712 2.844 1.798) 9.339 13.454 ( 6.807 0.356 1.940) 7.087 13.695 ( 0.581 1.498 1.916) 2.500 13.758 ( 5.024 -4.669 -0.329) 6.867 14.140 ( -4.203 7.540 6.372) 10.730 14.308 ( 7.213 7.171 -1.708) 10.313 14.326 ( -1.819 -3.198 0.799) 3.766 14.436 ( 8.519 -0.012 -3.346) 9.152 14.912 ( 0.283 16.438 -3.046) 16.720 15.111 ( 1.441 5.540 -11.372) 12.731 15.372 ( 5.655 -14.887 7.821) 17.742 15.434 ( 3.884 -15.952 2.276) 16.575 16.024 ( -3.326 21.569 8.991) 23.604 16.297 ( -1.414 -3.760 1.034) 4.148 16.915 ( -1.913 14.810 -5.380) 15.872 17.129 ( 1.884 -0.913 -5.381) 5.774 17.475 ( 9.841 -5.955 8.862) 14.520 17.667 ( 10.682 -22.677 13.226) 28.342 18.154 ( 11.648 4.195 -12.618) 17.678 18.238 ( 11.330 -4.423 -8.676) 14.940 18.579 ( 6.523 6.525 3.172) 9.757 18.684 ( 5.172 -2.206 0.942) 5.702 19.037 ( 0.104 -8.282 5.443) 9.911 19.049 ( 0.163 -8.350 4.921) 9.694 21.397 ( -9.632 7.714 0.139) 12.341 21.463 ( -9.599 2.577 -0.760) 9.968 21.517 ( -8.792 0.346 -2.523) 9.154 21.533 ( -11.728 0.355 -5.760) 13.071 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 1.084 7.193 0.802) 7.318 2.769 ( 0.750 -1.631 -2.055) 2.729 2.940 ( -3.263 0.228 3.193) 4.571 2.999 ( -5.485 -5.297 4.767) 8.992 3.082 ( 2.923 4.633 2.221) 5.911 3.194 ( -0.865 -6.013 3.095) 6.818 3.464 ( -5.771 -0.814 -6.730) 8.903 3.470 ( -6.483 -1.486 -8.349) 10.675 3.933 ( 4.511 3.712 -3.133) 6.629 3.959 ( 4.555 1.845 -3.174) 5.850 4.238 ( 0.706 -4.352 0.946) 4.509 4.273 ( -0.241 -7.036 -0.495) 7.057 8.125 ( 19.943 11.212 6.370) 23.748 8.173 ( 17.488 5.638 5.240) 19.107 8.412 ( 9.412 7.507 10.578) 16.026 8.572 ( 7.092 -9.353 16.097) 19.922 8.805 ( 7.375 19.009 1.563) 20.450 9.041 ( 4.049 -3.096 1.160) 5.228 9.243 ( 0.606 6.781 -5.823) 8.959 9.457 ( -9.191 -2.129 -13.174) 16.203 9.692 ( -8.265 -10.701 2.043) 13.674 9.721 ( -15.047 -3.573 2.146) 15.614 10.019 ( -10.032 -5.257 -1.556) 11.432 10.104 ( -13.580 -11.419 -7.129) 19.121 11.038 ( 11.861 10.931 12.755) 20.564 11.217 ( 4.440 -4.717 9.492) 11.492 11.311 ( 0.900 8.140 4.356) 9.276 11.489 ( -5.077 -9.167 5.009) 11.615 11.936 ( -4.721 7.640 -13.700) 16.381 11.968 ( -0.257 8.505 -17.232) 19.219 12.204 ( -8.375 -8.340 -9.223) 14.992 12.271 ( -6.190 -11.231 -10.305) 16.451 13.494 ( -0.081 2.183 0.925) 2.372 13.552 ( 0.203 -3.385 -1.227) 3.606 13.683 ( -0.874 6.316 0.652) 6.409 13.773 ( -3.255 -0.588 -4.576) 5.647 14.121 ( 1.634 10.056 6.021) 11.834 14.345 ( 4.964 -8.056 3.789) 10.193 14.379 ( -0.755 11.947 -1.939) 12.126 14.573 ( 3.865 -2.118 -2.474) 5.054 14.989 ( 6.576 16.054 0.521) 17.356 15.180 ( 3.620 7.776 -5.134) 9.997 15.470 ( 4.304 -23.310 3.108) 23.907 15.542 ( 5.355 -18.258 1.252) 19.068 16.011 ( 2.621 27.610 4.139) 28.042 16.274 ( -0.406 9.439 -6.102) 11.246 16.870 ( -2.285 -5.657 -1.010) 6.184 17.086 ( -5.193 -19.275 -8.755) 21.798 17.767 ( 16.542 3.010 17.214) 24.063 17.925 ( 13.515 -13.307 14.025) 23.589 18.355 ( 6.097 3.946 -6.379) 9.666 18.447 ( 7.739 -4.019 -6.632) 10.956 18.684 ( -0.674 15.148 4.518) 15.822 18.704 ( 1.347 10.995 4.723) 12.042 19.057 ( 0.905 -16.752 7.783) 18.494 19.087 ( 3.530 -18.072 6.864) 19.651 21.197 ( -8.596 8.726 -4.464) 13.037 21.263 ( -9.032 4.323 -5.297) 11.328 21.293 ( -9.956 0.994 -6.626) 12.000 21.330 ( -8.621 -1.035 -5.754) 10.416 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 2.937 7.033 1.643) 7.797 2.771 ( -1.060 3.993 -0.330) 4.144 2.877 ( -1.731 -4.787 4.280) 6.650 2.901 ( -3.358 -5.255 4.145) 7.488 3.174 ( 5.190 2.556 -3.562) 6.794 3.211 ( 2.150 -0.470 -1.779) 2.830 3.338 ( -5.678 -2.808 -7.539) 9.847 3.341 ( -5.348 -2.690 -6.139) 8.575 4.019 ( 3.339 7.328 0.323) 8.059 4.037 ( 2.070 6.873 -0.047) 7.178 4.239 ( -0.093 -10.681 1.881) 10.846 4.255 ( -1.333 -10.898 1.299) 11.056 8.492 ( 13.470 12.222 9.947) 20.731 8.536 ( 16.347 15.211 7.764) 23.641 8.611 ( 5.741 11.034 8.568) 15.103 8.717 ( 4.499 -3.686 8.343) 10.170 8.895 ( 1.743 15.365 -1.956) 15.587 9.013 ( -2.768 2.978 -6.175) 7.393 9.137 ( -13.065 0.179 3.558) 13.542 9.225 ( -10.355 -2.514 -2.280) 10.897 9.493 ( 1.738 -1.842 -0.926) 2.697 9.634 ( -5.453 -7.053 -9.035) 12.693 9.816 ( -3.817 -20.368 -0.830) 20.739 9.884 ( -7.114 -19.641 -5.157) 21.517 11.262 ( 7.651 6.233 12.063) 15.585 11.284 ( 1.709 4.121 7.750) 8.943 11.316 ( 0.111 4.465 6.172) 7.618 11.397 ( -4.246 -2.539 9.514) 10.724 11.911 ( 2.137 7.932 -12.493) 14.952 11.966 ( -1.515 8.909 -15.649) 18.071 12.110 ( 0.051 -11.449 -11.399) 16.156 12.172 ( -4.249 -11.086 -11.912) 16.819 13.519 ( 3.261 1.449 -2.260) 4.223 13.544 ( 0.919 -0.941 -2.995) 3.271 13.626 ( -3.967 0.798 -3.126) 5.114 13.657 ( -6.615 -1.916 -5.761) 8.978 14.197 ( 5.206 16.934 6.215) 18.775 14.308 ( -4.922 15.571 1.644) 16.413 14.489 ( 6.892 -7.677 4.894) 11.419 14.590 ( -2.265 -6.433 1.394) 6.961 15.128 ( 5.723 13.076 1.610) 14.364 15.206 ( -1.455 10.967 -0.459) 11.073 15.560 ( 3.814 -24.248 -0.435) 24.550 15.604 ( 0.143 -22.658 -1.099) 22.685 16.133 ( 7.843 33.289 -2.513) 34.293 16.257 ( -2.718 29.688 -8.009) 30.869 16.847 ( 1.415 -28.794 -0.753) 28.839 16.947 ( -7.056 -30.131 -5.467) 31.425 18.116 ( 15.852 3.799 14.475) 21.800 18.205 ( 12.546 -5.163 11.959) 18.085 18.363 ( -5.871 2.497 3.957) 7.507 18.435 ( -9.152 -1.869 7.452) 11.949 18.685 ( 3.875 17.225 1.191) 17.695 18.739 ( -0.413 15.917 2.557) 16.126 19.093 ( 2.381 -21.104 8.853) 23.009 19.128 ( -0.141 -20.962 7.999) 22.437 21.075 ( -2.451 8.613 -8.806) 12.560 21.105 ( -5.111 7.326 -10.022) 13.426 21.162 ( -2.517 -0.424 -7.010) 7.460 21.186 ( -4.528 -1.111 -7.813) 9.098 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 0.000 0.000 -8.054) 8.054 2.870 ( 0.000 0.000 8.054) 8.054 2.985 ( 0.000 0.000 -12.288) 12.288 2.985 ( 0.000 0.000 12.288) 12.288 3.000 ( 0.000 0.000 -22.328) 22.328 3.000 ( 0.000 0.000 22.328) 22.328 3.737 ( 0.000 0.000 -0.333) 0.333 3.737 ( 0.000 0.000 0.333) 0.333 3.879 ( 0.000 0.000 -2.343) 2.343 3.879 ( 0.000 0.000 2.343) 2.343 4.510 ( 0.000 0.000 -9.464) 9.464 4.510 ( 0.000 0.000 9.464) 9.464 7.176 ( 0.000 0.000 -21.869) 21.869 7.176 ( 0.000 0.000 21.869) 21.869 7.813 ( 0.000 0.000 -2.335) 2.335 7.813 ( 0.000 0.000 2.335) 2.335 9.217 ( 0.000 0.000 -16.163) 16.163 9.217 ( 0.000 0.000 16.163) 16.163 9.231 ( 0.000 0.000 -21.568) 21.568 9.231 ( 0.000 0.000 21.568) 21.568 10.041 ( 0.000 0.000 -31.006) 31.006 10.041 ( 0.000 0.000 31.006) 31.006 10.111 ( 0.000 0.000 -1.014) 1.014 10.111 ( 0.000 0.000 1.014) 1.014 10.538 ( 0.000 0.000 -0.748) 0.748 10.538 ( 0.000 0.000 0.748) 0.748 11.847 ( 0.000 0.000 -22.969) 22.969 11.847 ( 0.000 0.000 22.969) 22.969 12.292 ( 0.000 0.000 -1.157) 1.157 12.292 ( 0.000 0.000 1.157) 1.157 13.195 ( 0.000 0.000 -4.365) 4.365 13.195 ( 0.000 0.000 4.365) 4.365 13.235 ( 0.000 0.000 -8.268) 8.268 13.235 ( 0.000 0.000 8.268) 8.268 13.501 ( 0.000 0.000 -3.388) 3.388 13.501 ( 0.000 0.000 3.388) 3.388 13.909 ( 0.000 0.000 -7.502) 7.502 13.909 ( 0.000 0.000 7.502) 7.502 14.548 ( 0.000 0.000 -11.668) 11.668 14.548 ( 0.000 0.000 11.668) 11.668 14.670 ( 0.000 0.000 -21.627) 21.627 14.670 ( 0.000 0.000 21.627) 21.627 15.328 ( 0.000 0.000 -8.858) 8.858 15.328 ( 0.000 0.000 8.858) 8.858 15.779 ( 0.000 0.000 -24.311) 24.311 15.779 ( 0.000 0.000 24.311) 24.311 16.634 ( 0.000 0.000 -28.363) 28.363 16.634 ( 0.000 0.000 28.363) 28.363 17.307 ( 0.000 0.000 -30.103) 30.103 17.307 ( 0.000 0.000 30.103) 30.103 18.701 ( 0.000 0.000 -16.093) 16.093 18.701 ( 0.000 0.000 16.093) 16.093 19.027 ( 0.000 0.000 -1.523) 1.523 19.027 ( 0.000 0.000 1.523) 1.523 19.203 ( 0.000 0.000 -4.774) 4.774 19.203 ( 0.000 0.000 4.774) 4.774 21.430 ( 0.000 0.000 -14.026) 14.026 21.430 ( 0.000 0.000 14.026) 14.026 21.557 ( 0.000 0.000 -5.855) 5.855 21.557 ( 0.000 0.000 5.855) 5.855 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -8.018 0.000 -6.352) 10.229 2.710 ( -8.018 0.000 6.352) 10.229 3.030 ( 4.128 0.000 -11.564) 12.279 3.030 ( 4.128 0.000 11.564) 12.279 3.200 ( 10.283 0.000 -8.560) 13.380 3.200 ( 10.283 0.000 8.560) 13.380 3.685 ( -4.847 0.000 -0.337) 4.859 3.685 ( -4.847 0.000 0.337) 4.859 3.825 ( -3.966 0.000 -1.130) 4.123 3.825 ( -3.966 0.000 1.130) 4.123 4.533 ( 2.397 0.000 -7.757) 8.119 4.533 ( 2.397 0.000 7.757) 8.119 7.226 ( 4.301 0.000 -21.344) 21.773 7.226 ( 4.301 0.000 21.344) 21.773 7.890 ( 6.899 0.000 -4.931) 8.480 7.890 ( 6.899 0.000 4.931) 8.480 9.109 ( -10.026 0.000 -20.355) 22.691 9.109 ( -10.026 0.000 20.355) 22.691 9.271 ( 4.846 0.000 -16.107) 16.821 9.271 ( 4.846 0.000 16.107) 16.821 10.075 ( 3.413 0.000 -28.809) 29.010 10.075 ( 3.413 0.000 28.809) 29.010 10.145 ( 3.182 0.000 -6.450) 7.192 10.145 ( 3.182 0.000 6.450) 7.192 10.660 ( 9.947 0.000 -15.667) 18.558 10.660 ( 9.947 0.000 15.667) 18.558 11.642 ( -17.760 0.000 -19.578) 26.433 11.642 ( -17.760 0.000 19.578) 26.433 12.255 ( -3.638 0.000 -1.088) 3.797 12.255 ( -3.638 0.000 1.088) 3.797 13.125 ( -8.761 0.000 -8.334) 12.092 13.125 ( -8.761 0.000 8.334) 12.092 13.260 ( 5.509 0.000 -7.792) 9.543 13.260 ( 5.509 0.000 7.792) 9.543 13.464 ( -3.187 0.000 -6.110) 6.891 13.464 ( -3.187 0.000 6.110) 6.891 13.913 ( -0.510 0.000 -6.266) 6.287 13.913 ( -0.510 0.000 6.266) 6.287 14.524 ( -3.158 0.000 -9.950) 10.439 14.524 ( -3.158 0.000 9.950) 10.439 14.782 ( 8.416 0.000 -18.852) 20.646 14.782 ( 8.416 0.000 18.852) 20.646 15.410 ( 8.919 0.000 -12.758) 15.566 15.410 ( 8.919 0.000 12.758) 15.566 15.669 ( -7.360 0.000 -22.354) 23.534 15.669 ( -7.360 0.000 22.354) 23.534 16.815 ( 14.935 0.000 -28.038) 31.767 16.815 ( 14.935 0.000 28.038) 31.767 17.362 ( 4.996 0.000 -30.301) 30.710 17.362 ( 4.996 0.000 30.301) 30.710 18.650 ( -4.207 0.000 -16.219) 16.756 18.650 ( -4.207 0.000 16.219) 16.756 19.155 ( 11.006 0.000 -1.365) 11.090 19.155 ( 11.006 0.000 1.365) 11.090 19.222 ( 1.817 0.000 -4.613) 4.958 19.222 ( 1.817 0.000 4.613) 4.958 21.307 ( -11.499 0.000 -13.561) 17.780 21.307 ( -11.499 0.000 13.561) 17.780 21.495 ( -5.834 0.000 -5.933) 8.321 21.495 ( -5.834 0.000 5.933) 8.321 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -5.171 0.000 -9.871) 11.144 2.574 ( -5.171 0.000 9.871) 11.144 3.142 ( 6.023 0.000 -10.027) 11.697 3.142 ( 6.023 0.000 10.027) 11.697 3.298 ( -1.629 0.000 -7.010) 7.197 3.298 ( -1.629 0.000 7.010) 7.197 3.550 ( -7.456 0.000 -0.749) 7.493 3.550 ( -7.456 0.000 0.749) 7.493 3.778 ( -0.228 0.000 -3.089) 3.098 3.778 ( -0.228 0.000 3.089) 3.098 4.631 ( 7.388 0.000 -4.102) 8.450 4.631 ( 7.388 0.000 4.102) 8.450 7.330 ( 5.061 0.000 -18.972) 19.635 7.330 ( 5.061 0.000 18.972) 19.635 8.068 ( 9.195 0.000 -11.812) 14.969 8.068 ( 9.195 0.000 11.812) 14.969 8.883 ( -10.514 0.000 -13.081) 16.782 8.883 ( -10.514 0.000 13.081) 16.782 9.395 ( 6.496 0.000 -16.129) 17.388 9.395 ( 6.496 0.000 16.129) 17.388 10.184 ( 6.498 0.000 -22.621) 23.536 10.184 ( 6.498 0.000 22.621) 23.536 10.237 ( 5.445 0.000 -13.234) 14.311 10.237 ( 5.445 0.000 13.234) 14.311 10.872 ( 8.954 0.000 -22.014) 23.765 10.872 ( 8.954 0.000 22.014) 23.765 11.205 ( -21.807 0.000 -11.995) 24.889 11.205 ( -21.807 0.000 11.995) 24.889 12.144 ( -6.704 0.000 -2.492) 7.152 12.144 ( -6.704 0.000 2.492) 7.152 12.939 ( -8.093 0.000 -6.499) 10.379 12.939 ( -8.093 0.000 6.499) 10.379 13.353 ( -2.027 0.000 -6.365) 6.679 13.353 ( -2.027 0.000 6.365) 6.679 13.435 ( 6.110 0.000 -8.432) 10.414 13.435 ( 6.110 0.000 8.432) 10.414 13.871 ( -3.278 0.000 -6.662) 7.425 13.871 ( -3.278 0.000 6.662) 7.425 14.408 ( -7.050 0.000 -6.431) 9.542 14.408 ( -7.050 0.000 6.431) 9.542 14.869 ( -3.094 0.000 -15.485) 15.792 14.869 ( -3.094 0.000 15.485) 15.792 15.621 ( 4.874 0.000 -14.413) 15.214 15.621 ( 4.874 0.000 14.413) 15.214 15.709 ( 18.652 0.000 -16.330) 24.791 15.709 ( 18.652 0.000 16.330) 24.791 17.169 ( 17.563 0.000 -25.047) 30.591 17.169 ( 17.563 0.000 25.047) 30.591 17.493 ( 6.522 0.000 -30.478) 31.167 17.493 ( 6.522 0.000 30.478) 31.167 18.557 ( -3.661 0.000 -14.226) 14.689 18.557 ( -3.661 0.000 14.226) 14.689 19.277 ( 3.354 0.000 -4.152) 5.337 19.277 ( 3.354 0.000 4.152) 5.337 19.428 ( 13.921 0.000 -3.925) 14.464 19.428 ( 13.921 0.000 3.925) 14.464 20.973 ( -19.723 0.000 -13.046) 23.647 20.973 ( -19.723 0.000 13.046) 23.647 21.325 ( -10.025 0.000 -5.969) 11.668 21.325 ( -10.025 0.000 5.969) 11.668 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -3.470 0.000 -9.622) 10.229 2.485 ( -3.470 0.000 9.622) 10.229 3.203 ( -5.401 0.000 -5.868) 7.976 3.203 ( -5.401 0.000 5.868) 7.976 3.240 ( 1.628 0.000 -8.750) 8.900 3.240 ( 1.628 0.000 8.750) 8.900 3.418 ( -3.246 0.000 -3.274) 4.610 3.418 ( -3.246 0.000 3.274) 4.610 3.772 ( -0.920 0.000 -3.271) 3.398 3.772 ( -0.920 0.000 3.271) 3.398 4.824 ( 9.849 0.000 -0.789) 9.881 4.824 ( 9.849 0.000 0.789) 9.881 7.419 ( 3.276 0.000 -13.481) 13.874 7.419 ( 3.276 0.000 13.481) 13.874 8.228 ( 4.988 0.000 -21.577) 22.146 8.228 ( 4.988 0.000 21.577) 22.146 8.707 ( -5.505 0.000 -7.931) 9.654 8.707 ( -5.505 0.000 7.931) 9.654 9.535 ( 7.098 0.000 -14.424) 16.076 9.535 ( 7.098 0.000 14.424) 16.076 10.268 ( -1.757 0.000 -15.069) 15.171 10.268 ( -1.757 0.000 15.069) 15.171 10.360 ( 5.858 0.000 -16.176) 17.204 10.360 ( 5.858 0.000 16.176) 17.204 10.839 ( -10.122 0.000 -6.068) 11.802 10.839 ( -10.122 0.000 6.068) 11.802 11.007 ( 4.002 0.000 -21.203) 21.577 11.007 ( 4.002 0.000 21.203) 21.577 11.998 ( -6.669 0.000 -2.413) 7.092 11.998 ( -6.669 0.000 2.413) 7.092 12.805 ( -4.641 0.000 -3.992) 6.121 12.805 ( -4.641 0.000 3.992) 6.121 13.272 ( -3.948 0.000 -3.799) 5.479 13.272 ( -3.948 0.000 3.799) 5.479 13.632 ( 11.024 0.000 -10.179) 15.005 13.632 ( 11.024 0.000 10.179) 15.005 13.796 ( -3.430 0.000 -9.502) 10.102 13.796 ( -3.430 0.000 9.502) 10.102 14.271 ( -5.510 0.000 -1.590) 5.735 14.271 ( -5.510 0.000 1.590) 5.735 14.683 ( -12.354 0.000 -16.479) 20.596 14.683 ( -12.354 0.000 16.479) 20.596 15.807 ( 10.027 0.000 -9.050) 13.508 15.807 ( 10.027 0.000 9.050) 13.508 16.128 ( 20.060 0.000 -15.323) 25.242 16.128 ( 20.060 0.000 15.323) 25.242 17.505 ( 13.815 0.000 -17.956) 22.655 17.505 ( 13.815 0.000 17.956) 22.655 17.568 ( -0.714 0.000 -27.018) 27.027 17.568 ( -0.714 0.000 27.018) 27.027 18.558 ( 4.896 0.000 -11.768) 12.746 18.558 ( 4.896 0.000 11.768) 12.746 19.356 ( 3.989 0.000 -3.275) 5.161 19.356 ( 3.989 0.000 3.275) 5.161 19.691 ( 10.448 0.000 -12.411) 16.223 19.691 ( 10.448 0.000 12.411) 16.223 20.526 ( -21.825 0.000 -14.923) 26.439 20.526 ( -21.825 0.000 14.923) 26.439 21.102 ( -10.475 0.000 -5.196) 11.693 21.102 ( -10.475 0.000 5.196) 11.693 ======================= Grid point 323 (105/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -1.416 0.000 -4.158) 4.392 2.432 ( -1.416 0.000 4.158) 4.392 3.120 ( -2.164 0.000 -2.418) 3.245 3.120 ( -2.164 0.000 2.418) 3.245 3.205 ( -2.197 0.000 -2.457) 3.296 3.205 ( -2.197 0.000 2.457) 3.296 3.427 ( 1.456 0.000 -0.933) 1.729 3.427 ( 1.456 0.000 0.933) 1.729 3.749 ( -0.788 0.000 -1.239) 1.468 3.749 ( -0.788 0.000 1.239) 1.468 4.985 ( 4.449 0.000 -0.284) 4.458 4.985 ( 4.449 0.000 0.284) 4.458 7.464 ( 1.050 0.000 -4.920) 5.030 7.464 ( 1.050 0.000 4.920) 5.030 8.265 ( -0.273 0.000 -12.866) 12.869 8.265 ( -0.273 0.000 12.866) 12.869 8.660 ( -0.079 0.000 -7.163) 7.164 8.660 ( -0.079 0.000 7.163) 7.164 9.691 ( 6.817 0.000 -7.882) 10.421 9.691 ( 6.817 0.000 7.882) 10.421 10.102 ( -9.377 0.000 -5.086) 10.668 10.102 ( -9.377 0.000 5.086) 10.668 10.456 ( 2.689 0.000 -8.095) 8.530 10.456 ( 2.689 0.000 8.095) 8.530 10.787 ( 1.155 0.000 -2.840) 3.066 10.787 ( 1.155 0.000 2.840) 3.066 11.054 ( 0.948 0.000 -9.529) 9.576 11.054 ( 0.948 0.000 9.529) 9.576 11.890 ( -3.036 0.000 -0.909) 3.169 11.890 ( -3.036 0.000 0.909) 3.169 12.744 ( -1.349 0.000 -1.435) 1.969 12.744 ( -1.349 0.000 1.435) 1.969 13.211 ( -1.607 0.000 -1.556) 2.237 13.211 ( -1.607 0.000 1.556) 2.237 13.743 ( -1.393 0.000 -4.828) 5.025 13.743 ( -1.393 0.000 4.828) 5.025 13.855 ( 8.429 0.000 -7.884) 11.541 13.855 ( 8.429 0.000 7.884) 11.541 14.192 ( -1.933 0.000 -1.040) 2.195 14.192 ( -1.933 0.000 1.040) 2.195 14.434 ( -9.193 0.000 -10.201) 13.732 14.434 ( -9.193 0.000 10.201) 13.732 15.964 ( 4.132 0.000 -3.246) 5.255 15.964 ( 4.132 0.000 3.246) 5.255 16.472 ( 10.516 0.000 -8.278) 13.383 16.472 ( 10.516 0.000 8.278) 13.383 17.485 ( -4.607 0.000 -12.563) 13.382 17.485 ( -4.607 0.000 12.563) 13.382 17.712 ( 5.306 0.000 -6.625) 8.488 17.712 ( 5.306 0.000 6.625) 8.488 18.718 ( 7.032 0.000 -6.369) 9.488 18.718 ( 7.032 0.000 6.369) 9.488 19.425 ( 2.090 0.000 -1.399) 2.515 19.425 ( 2.090 0.000 1.399) 2.515 19.839 ( 3.385 0.000 -18.712) 19.016 19.839 ( 3.385 0.000 18.712) 19.016 20.147 ( -11.525 0.000 -17.352) 20.831 20.147 ( -11.525 0.000 17.352) 20.831 20.931 ( -4.835 0.000 -2.286) 5.349 20.931 ( -4.835 0.000 2.286) 5.349 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 0.000 -6.110 -0.204) 6.114 2.774 ( 0.000 -6.110 0.204) 6.114 3.052 ( 0.000 5.796 -17.914) 18.828 3.052 ( 0.000 5.796 17.914) 18.828 3.089 ( 0.000 6.827 -1.302) 6.950 3.089 ( 0.000 6.827 1.302) 6.950 3.693 ( 0.000 -5.349 -0.378) 5.362 3.693 ( 0.000 -5.349 0.378) 5.362 3.849 ( 0.000 -2.379 -1.541) 2.834 3.849 ( 0.000 -2.379 1.541) 2.834 4.443 ( 0.000 -6.291 -9.042) 11.015 4.443 ( 0.000 -6.291 9.042) 11.015 7.223 ( 0.000 4.124 -18.490) 18.944 7.223 ( 0.000 4.124 18.490) 18.944 7.852 ( 0.000 3.718 -1.119) 3.883 7.852 ( 0.000 3.718 1.119) 3.883 9.185 ( 0.000 -3.403 -16.373) 16.723 9.185 ( 0.000 -3.403 16.373) 16.723 9.252 ( 0.000 2.753 -18.673) 18.875 9.252 ( 0.000 2.753 18.673) 18.875 9.952 ( 0.000 -3.960 -18.372) 18.794 9.952 ( 0.000 -3.960 18.372) 18.794 10.224 ( 0.000 6.349 -7.432) 9.775 10.224 ( 0.000 6.349 7.432) 9.775 10.610 ( 0.000 7.235 -1.196) 7.333 10.610 ( 0.000 7.235 1.196) 7.333 11.797 ( 0.000 -4.919 -22.133) 22.673 11.797 ( 0.000 -4.919 22.133) 22.673 12.260 ( 0.000 -3.245 -0.216) 3.252 12.260 ( 0.000 -3.245 0.216) 3.252 13.195 ( 0.000 -1.491 -7.873) 8.013 13.195 ( 0.000 -1.491 7.873) 8.013 13.285 ( 0.000 3.952 -2.942) 4.926 13.285 ( 0.000 3.952 2.942) 4.926 13.565 ( 0.000 8.083 -3.637) 8.864 13.565 ( 0.000 8.083 3.637) 8.864 13.766 ( 0.000 -12.591 -5.259) 13.646 13.766 ( 0.000 -12.591 5.259) 13.645 14.553 ( 0.000 0.417 -10.181) 10.189 14.553 ( 0.000 0.417 10.181) 10.189 14.682 ( 0.000 1.449 -16.872) 16.934 14.682 ( 0.000 1.449 16.872) 16.934 15.374 ( 0.000 3.522 -9.908) 10.515 15.374 ( 0.000 3.522 9.908) 10.515 15.920 ( 0.000 13.584 -24.264) 27.808 15.920 ( 0.000 13.584 24.264) 27.808 16.625 ( 0.000 -0.827 -24.832) 24.846 16.625 ( 0.000 -0.827 24.832) 24.846 17.322 ( 0.000 1.714 -26.430) 26.486 17.322 ( 0.000 1.714 26.430) 26.486 18.628 ( 0.000 -9.342 -15.136) 17.787 18.628 ( 0.000 -9.342 15.136) 17.787 18.795 ( 0.000 -17.275 -6.314) 18.393 18.795 ( 0.000 -17.275 6.314) 18.393 19.218 ( 0.000 -1.351 -1.008) 1.685 19.218 ( 0.000 -1.351 1.008) 1.685 21.497 ( 0.000 5.976 -11.951) 13.362 21.497 ( 0.000 5.976 11.951) 13.362 21.596 ( 0.000 3.690 -5.554) 6.668 21.596 ( 0.000 3.690 5.554) 6.668 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -5.781 -1.410 -5.615) 8.182 2.695 ( -5.781 -1.410 5.615) 8.182 3.015 ( 1.792 0.361 -12.010) 12.148 3.015 ( 1.792 0.361 12.010) 12.148 3.282 ( 9.552 6.755 -6.406) 13.338 3.282 ( 9.552 6.755 6.406) 13.338 3.648 ( -3.739 -4.740 -0.911) 6.105 3.648 ( -3.739 -4.740 0.911) 6.105 3.796 ( -4.197 -2.213 -0.361) 4.759 3.796 ( -4.197 -2.213 0.361) 4.759 4.461 ( 1.864 -6.768 -7.457) 10.241 4.461 ( 1.864 -6.768 7.457) 10.241 7.289 ( 5.891 5.638 -18.181) 19.926 7.289 ( 5.891 5.638 18.181) 19.926 7.930 ( 6.960 4.002 -3.259) 8.664 7.930 ( 6.960 4.002 3.259) 8.664 9.093 ( -8.049 -1.299 -17.144) 18.984 9.093 ( -8.049 -1.299 17.144) 18.984 9.278 ( 2.695 0.575 -18.417) 18.622 9.278 ( 2.695 0.575 18.417) 18.622 10.029 ( 6.633 -1.979 -17.710) 19.015 10.029 ( 6.633 -1.979 17.710) 19.015 10.220 ( 0.200 4.465 -6.844) 8.174 10.220 ( 0.200 4.465 6.844) 8.174 10.695 ( 6.535 3.977 -16.317) 18.021 10.695 ( 6.535 3.977 16.317) 18.021 11.633 ( -13.905 -1.176 -18.812) 23.423 11.633 ( -13.905 -1.176 18.812) 23.423 12.215 ( -4.359 -3.968 -1.751) 6.149 12.215 ( -4.359 -3.968 1.751) 6.149 13.031 ( -10.682 -5.879 -6.396) 13.769 13.031 ( -10.682 -5.879 6.396) 13.769 13.372 ( 4.479 2.358 -9.807) 11.036 13.372 ( 4.479 2.358 9.807) 11.036 13.534 ( -1.641 11.706 -6.164) 13.331 13.534 ( -1.641 11.706 6.164) 13.331 13.832 ( 3.426 -6.978 -4.998) 9.241 13.832 ( 3.426 -6.978 4.998) 9.241 14.511 ( -4.054 -1.046 -11.436) 12.178 14.511 ( -4.054 -1.046 11.436) 12.178 14.755 ( 6.587 -2.199 -16.167) 17.595 14.755 ( 6.587 -2.199 16.167) 17.595 15.470 ( 8.607 4.733 -12.931) 16.239 15.470 ( 8.607 4.733 12.931) 16.239 15.792 ( -8.631 11.815 -22.654) 26.968 15.792 ( -8.631 11.815 22.654) 26.968 16.801 ( 13.888 -1.365 -23.986) 27.750 16.801 ( 13.888 -1.365 23.986) 27.750 17.389 ( 6.324 2.911 -25.421) 26.357 17.389 ( 6.324 2.911 25.421) 26.357 18.595 ( -2.738 -6.693 -14.987) 16.641 18.595 ( -2.738 -6.693 14.987) 16.641 18.859 ( 4.836 -20.003 -5.453) 21.290 18.859 ( 4.836 -20.003 5.453) 21.290 19.281 ( 6.329 -1.291 -0.904) 6.522 19.281 ( 6.329 -1.291 0.904) 6.522 21.383 ( -10.659 6.846 -11.481) 17.097 21.383 ( -10.659 6.846 11.481) 17.097 21.533 ( -5.846 3.581 -5.042) 8.510 21.533 ( -5.846 3.581 5.042) 8.510 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -4.343 1.329 -8.761) 9.868 2.586 ( -4.343 1.329 8.761) 9.868 3.085 ( 3.786 -3.532 -7.464) 9.084 3.085 ( 3.786 -3.532 7.464) 9.084 3.363 ( -1.980 4.297 -5.613) 7.341 3.363 ( -1.980 4.297 5.613) 7.341 3.545 ( -6.650 -1.168 -2.370) 7.156 3.545 ( -6.650 -1.168 2.370) 7.156 3.755 ( 1.365 -1.652 -2.866) 3.579 3.755 ( 1.365 -1.652 2.866) 3.579 4.540 ( 6.192 -8.362 -4.036) 11.160 4.540 ( 6.192 -8.362 4.036) 11.160 7.440 ( 7.744 10.088 -16.678) 20.973 7.440 ( 7.744 10.088 16.678) 20.973 8.108 ( 9.193 4.139 -9.485) 13.842 8.108 ( 9.193 4.139 9.485) 13.842 8.898 ( -9.700 1.847 -12.306) 15.777 8.898 ( -9.700 1.847 12.306) 15.777 9.361 ( 5.046 -3.275 -17.611) 18.610 9.361 ( 5.046 -3.275 17.611) 18.610 10.158 ( 3.411 -2.889 -10.959) 11.836 10.158 ( 3.411 -2.889 10.959) 11.836 10.277 ( 6.079 2.715 -7.195) 9.802 10.277 ( 6.079 2.715 7.195) 9.802 10.804 ( 2.482 -2.696 -17.723) 18.098 10.804 ( 2.482 -2.696 17.723) 18.098 11.327 ( -12.525 8.953 -9.466) 18.073 11.327 ( -12.525 8.953 9.466) 18.073 12.082 ( -7.861 -5.900 -2.407) 10.119 12.082 ( -7.861 -5.900 2.407) 10.119 12.819 ( -8.923 -10.126 -4.931) 14.369 12.819 ( -8.923 -10.126 4.931) 14.369 13.428 ( -0.181 3.180 -8.721) 9.284 13.428 ( -0.181 3.180 8.721) 9.284 13.537 ( 2.989 10.819 -6.709) 13.077 13.537 ( 2.989 10.819 6.709) 13.077 13.857 ( -0.550 1.337 -1.731) 2.256 13.857 ( -0.550 1.337 1.731) 2.256 14.379 ( -7.733 -2.275 -8.273) 11.551 14.379 ( -7.733 -2.275 8.273) 11.551 14.927 ( 6.903 1.299 -13.358) 15.092 14.927 ( 6.903 1.299 13.358) 15.092 15.543 ( -2.048 2.129 -15.786) 16.060 15.543 ( -2.048 2.129 15.786) 16.060 15.828 ( 13.745 4.415 -12.906) 19.365 15.828 ( 13.745 4.415 12.906) 19.365 17.113 ( 14.785 -4.533 -19.440) 24.840 17.113 ( 14.785 -4.533 19.440) 24.840 17.572 ( 10.370 6.939 -22.433) 25.670 17.572 ( 10.370 6.939 22.433) 25.670 18.529 ( -2.987 -3.131 -13.126) 13.821 18.529 ( -2.987 -3.131 13.126) 13.821 18.951 ( 3.628 -23.169 -4.068) 23.801 18.951 ( 3.628 -23.169 4.068) 23.801 19.478 ( 11.713 -2.455 -1.444) 12.054 19.478 ( 11.713 -2.455 1.444) 12.054 21.075 ( -18.070 9.234 -10.606) 22.897 21.075 ( -18.070 9.234 10.606) 22.897 21.364 ( -9.870 3.614 -4.965) 11.624 21.364 ( -9.870 3.614 4.965) 11.624 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -2.576 3.029 -8.636) 9.507 2.515 ( -2.576 3.029 8.636) 9.507 3.122 ( -1.022 -4.692 -4.699) 6.719 3.122 ( -1.022 -4.692 4.699) 6.719 3.297 ( -3.100 2.051 -7.936) 8.763 3.297 ( -3.100 2.051 7.936) 8.763 3.409 ( -4.532 -1.025 -3.272) 5.683 3.409 ( -4.532 -1.025 3.272) 5.683 3.787 ( 0.868 1.740 -2.641) 3.279 3.787 ( 0.868 1.740 2.641) 3.279 4.705 ( 8.496 -11.015 -0.967) 13.944 4.705 ( 8.496 -11.015 0.967) 13.944 7.584 ( 5.604 15.658 -12.313) 20.692 7.584 ( 5.604 15.658 12.313) 20.692 8.277 ( 5.983 4.918 -19.655) 21.126 8.277 ( 5.983 4.918 19.655) 21.126 8.722 ( -6.240 1.986 -4.853) 8.151 8.722 ( -6.240 1.986 4.853) 8.151 9.476 ( 5.755 -5.594 -14.226) 16.334 9.476 ( 5.755 -5.594 14.226) 16.334 10.157 ( -4.519 -10.665 -14.063) 18.219 10.157 ( -4.519 -10.665 14.063) 18.219 10.381 ( 3.088 0.172 -8.251) 8.812 10.381 ( 3.088 0.172 8.251) 8.812 10.835 ( 2.723 3.996 -1.194) 4.981 10.835 ( 2.723 3.996 1.194) 4.981 11.173 ( -2.938 12.276 -13.898) 18.774 11.173 ( -2.938 12.276 13.898) 18.774 11.921 ( -6.907 -7.147 -2.161) 10.171 11.921 ( -6.907 -7.147 2.161) 10.171 12.667 ( -5.675 -12.074 -2.929) 13.659 12.667 ( -5.675 -12.074 2.929) 13.659 13.385 ( -2.903 9.612 -1.142) 10.105 13.385 ( -2.903 9.612 1.142) 10.105 13.632 ( 4.626 -2.860 -1.075) 5.544 13.632 ( 4.626 -2.860 1.075) 5.544 13.850 ( 1.047 9.347 -5.939) 11.124 13.850 ( 1.047 9.347 5.939) 11.124 14.224 ( -6.830 -1.957 -2.001) 7.381 14.224 ( -6.830 -1.957 2.001) 7.381 14.931 ( -5.398 19.807 -11.114) 23.344 14.931 ( -5.398 19.807 11.114) 23.344 15.621 ( 8.424 -13.627 -9.810) 18.786 15.621 ( 8.424 -13.627 9.810) 18.786 16.143 ( 14.447 -2.701 -10.008) 17.781 16.143 ( 14.447 -2.701 10.008) 17.781 17.380 ( 10.041 -6.252 -13.672) 18.079 17.380 ( 10.041 -6.252 13.672) 18.079 17.766 ( 6.728 13.077 -16.807) 22.333 17.766 ( 6.728 13.077 16.807) 22.333 18.521 ( 3.604 -3.648 -10.668) 11.837 18.521 ( 3.604 -3.648 10.668) 11.837 19.005 ( 1.258 -25.289 -2.266) 25.421 19.005 ( 1.258 -25.289 2.266) 25.421 19.725 ( 11.105 -4.330 -5.838) 13.272 19.725 ( 11.105 -4.330 5.838) 13.272 20.671 ( -19.455 13.408 -10.316) 25.782 20.671 ( -19.455 13.408 10.316) 25.782 21.147 ( -10.102 4.020 -4.357) 11.712 21.147 ( -10.102 4.020 4.357) 11.712 ======================= Grid point 341 (110/120) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -0.950 4.488 -3.768) 5.937 2.477 ( -0.950 4.488 3.768) 5.937 3.080 ( -1.638 -3.032 -2.511) 4.264 3.080 ( -1.638 -3.032 2.511) 4.264 3.231 ( -2.240 1.387 -2.734) 3.797 3.231 ( -2.240 1.387 2.734) 3.797 3.378 ( 0.059 -4.236 -0.733) 4.299 3.378 ( 0.059 -4.236 0.733) 4.299 3.796 ( 0.174 4.228 -0.995) 4.347 3.796 ( 0.174 4.228 0.995) 4.347 4.844 ( 3.852 -13.065 -0.146) 13.622 4.844 ( 3.852 -13.065 0.146) 13.622 7.664 ( 1.995 19.417 -4.530) 20.038 7.664 ( 1.995 19.417 4.530) 20.038 8.331 ( -0.000 6.602 -13.314) 14.861 8.331 ( -0.000 6.602 13.314) 14.861 8.663 ( -0.180 0.739 -6.901) 6.943 8.663 ( -0.180 0.739 6.901) 6.943 9.593 ( 4.628 -9.035 -6.707) 12.166 9.593 ( 4.628 -9.035 6.707) 12.166 9.998 ( -7.236 -10.175 -4.685) 13.336 9.998 ( -7.236 -10.175 4.685) 13.336 10.446 ( 2.535 -2.674 -3.990) 5.431 10.446 ( 2.535 -2.674 3.990) 5.431 10.879 ( 0.401 9.332 -2.536) 9.679 10.879 ( 0.401 9.332 2.536) 9.679 11.172 ( 1.658 10.638 -8.263) 13.572 11.172 ( 1.658 10.638 8.263) 13.572 11.811 ( -3.150 -6.976 -0.985) 7.717 11.811 ( -3.150 -6.976 0.985) 7.717 12.586 ( -2.009 -13.270 -0.913) 13.452 12.586 ( -2.009 -13.270 0.913) 13.452 13.335 ( -1.404 9.567 -0.525) 9.684 13.335 ( -1.404 9.567 0.525) 9.684 13.687 ( 0.800 -4.180 -2.522) 4.947 13.687 ( 0.800 -4.180 2.522) 4.947 13.933 ( 6.255 3.790 -8.940) 11.550 13.933 ( 6.255 3.790 8.940) 11.550 14.087 ( -6.459 2.668 -4.138) 8.122 14.087 ( -6.459 2.668 4.138) 8.122 14.815 ( -3.735 28.012 -5.289) 28.751 14.815 ( -3.735 28.012 5.289) 28.751 15.774 ( 4.425 -16.979 -3.723) 17.937 15.774 ( 4.425 -16.979 3.723) 17.937 16.375 ( 6.479 -10.567 -4.192) 13.085 16.375 ( 6.479 -10.567 4.192) 13.085 17.505 ( 2.154 -0.554 -6.512) 6.881 17.505 ( 2.154 -0.554 6.512) 6.881 17.844 ( 1.600 13.799 -5.856) 15.076 17.844 ( 1.600 13.799 5.856) 15.076 18.665 ( 7.353 -5.361 -6.886) 11.412 18.665 ( 7.353 -5.361 6.886) 11.412 18.991 ( -2.235 -28.280 -2.704) 28.497 18.991 ( -2.235 -28.280 2.704) 28.497 19.920 ( 6.827 -8.735 -7.260) 13.252 19.920 ( 6.827 -8.735 7.260) 13.252 20.327 ( -11.399 21.043 -8.300) 25.331 20.327 ( -11.399 21.043 8.300) 25.331 20.984 ( -4.559 4.612 -1.896) 6.756 20.984 ( -4.559 4.612 1.896) 6.756 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 0.000 -1.228 -3.099) 3.334 2.694 ( 0.000 -1.228 3.099) 3.334 3.197 ( 0.000 7.219 -12.486) 14.422 3.197 ( 0.000 7.219 12.486) 14.422 3.212 ( 0.000 4.815 -5.723) 7.479 3.212 ( 0.000 4.815 5.723) 7.479 3.544 ( 0.000 -7.097 -3.818) 8.059 3.544 ( 0.000 -7.097 3.818) 8.059 3.791 ( 0.000 -4.048 -2.252) 4.632 3.791 ( 0.000 -4.048 2.252) 4.632 4.295 ( 0.000 -8.042 -7.571) 11.045 4.295 ( 0.000 -8.042 7.571) 11.045 7.306 ( 0.000 3.692 -10.762) 11.378 7.306 ( 0.000 3.692 10.762) 11.378 7.939 ( 0.000 4.510 -0.982) 4.615 7.939 ( 0.000 4.510 0.982) 4.615 9.113 ( 0.000 -3.382 -10.214) 10.760 9.113 ( 0.000 -3.382 10.214) 10.760 9.317 ( 0.000 3.054 -14.662) 14.976 9.317 ( 0.000 3.054 14.662) 14.976 9.924 ( 0.000 1.170 -11.444) 11.503 9.924 ( 0.000 1.170 11.444) 11.503 10.324 ( 0.000 3.932 -1.293) 4.139 10.324 ( 0.000 3.932 1.293) 4.139 10.808 ( 0.000 12.519 -1.052) 12.563 10.808 ( 0.000 12.519 1.052) 12.563 11.658 ( 0.000 -9.510 -20.499) 22.598 11.658 ( 0.000 -9.510 20.499) 22.598 12.177 ( 0.000 -4.665 -0.662) 4.712 12.177 ( 0.000 -4.665 0.662) 4.712 13.135 ( 0.000 -3.762 -0.475) 3.792 13.135 ( 0.000 -3.762 0.475) 3.792 13.320 ( 0.000 -2.284 -1.024) 2.503 13.320 ( 0.000 -2.284 1.024) 2.503 13.501 ( 0.000 -9.609 -4.008) 10.412 13.501 ( 0.000 -9.609 4.008) 10.412 13.827 ( 0.000 14.795 -8.152) 16.892 13.827 ( 0.000 14.795 8.152) 16.892 14.555 ( 0.000 -0.248 -4.617) 4.623 14.555 ( 0.000 -0.248 4.617) 4.623 14.755 ( 0.000 6.758 -7.969) 10.448 14.755 ( 0.000 6.758 7.969) 10.448 15.410 ( 0.000 -0.958 -8.544) 8.598 15.410 ( 0.000 -0.958 8.544) 8.598 16.241 ( 0.000 15.742 -22.336) 27.326 16.241 ( 0.000 15.742 22.336) 27.326 16.629 ( 0.000 3.703 -17.613) 17.998 16.629 ( 0.000 3.703 17.613) 17.998 17.378 ( 0.000 3.749 -18.905) 19.274 17.378 ( 0.000 3.749 18.905) 19.274 18.218 ( 0.000 -27.818 -3.018) 27.981 18.218 ( 0.000 -27.818 3.018) 27.981 18.571 ( 0.000 -8.006 -4.129) 9.008 18.571 ( 0.000 -8.006 4.129) 9.008 19.153 ( 0.000 -4.332 -0.710) 4.390 19.153 ( 0.000 -4.332 0.710) 4.390 21.621 ( 0.000 5.795 -6.891) 9.004 21.621 ( 0.000 5.795 6.891) 9.004 21.683 ( 0.000 4.642 -4.732) 6.629 21.683 ( 0.000 4.642 4.732) 6.629 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -1.627 0.573 -4.601) 4.914 2.679 ( -1.627 0.573 4.601) 4.914 3.066 ( -3.490 3.983 -7.812) 9.437 3.066 ( -3.490 3.983 7.812) 9.437 3.414 ( 8.559 3.700 -2.017) 9.540 3.414 ( 8.559 3.700 2.017) 9.540 3.505 ( -2.811 -6.134 -4.590) 8.161 3.505 ( -2.811 -6.134 4.590) 8.161 3.748 ( -3.301 -2.976 -1.129) 4.586 3.748 ( -3.301 -2.976 1.129) 4.586 4.306 ( 1.170 -8.088 -6.305) 10.322 4.306 ( 1.170 -8.088 6.305) 10.322 7.403 ( 8.961 5.080 -10.512) 14.718 7.403 ( 8.961 5.080 10.512) 14.718 8.033 ( 8.221 5.814 -0.351) 10.076 8.033 ( 8.221 5.814 0.351) 10.076 9.070 ( -3.770 -0.877 -11.050) 11.709 9.070 ( -3.770 -0.877 11.050) 11.709 9.287 ( -2.021 0.088 -19.325) 19.431 9.287 ( -2.021 0.088 19.325) 19.431 10.027 ( 7.806 1.835 -11.281) 13.840 10.027 ( 7.806 1.835 11.281) 13.840 10.281 ( -3.268 1.685 -3.023) 4.760 10.281 ( -3.268 1.685 3.023) 4.760 10.830 ( 1.381 9.767 -16.057) 18.845 10.830 ( 1.381 9.767 16.057) 18.845 11.574 ( -6.411 -5.660 -17.280) 19.280 11.574 ( -6.411 -5.660 17.280) 19.280 12.116 ( -5.700 -5.324 -1.639) 7.970 12.116 ( -5.700 -5.324 1.639) 7.970 12.921 ( -16.208 -5.294 -4.417) 17.614 12.921 ( -16.208 -5.294 4.417) 17.614 13.330 ( 4.546 -4.072 -4.596) 7.640 13.330 ( 4.546 -4.072 4.596) 7.640 13.691 ( 8.079 -5.875 -2.347) 10.261 13.691 ( 8.079 -5.875 2.347) 10.261 13.873 ( 5.208 18.281 -6.271) 20.016 13.873 ( 5.208 18.281 6.271) 20.016 14.488 ( -5.288 -1.448 -9.341) 10.831 14.488 ( -5.288 -1.448 9.341) 10.831 14.750 ( 0.463 3.519 -9.369) 10.019 14.750 ( 0.463 3.519 9.369) 10.019 15.511 ( 8.649 -2.236 -10.155) 13.525 15.511 ( 8.649 -2.236 10.155) 13.525 16.087 ( -10.914 16.302 -20.139) 28.115 16.087 ( -10.914 16.302 20.139) 28.115 16.788 ( 11.359 1.491 -17.353) 20.794 16.788 ( 11.359 1.491 17.353) 20.794 17.470 ( 8.658 4.810 -17.962) 20.512 17.470 ( 8.658 4.810 17.962) 20.512 18.253 ( 3.076 -26.109 -3.906) 26.579 18.253 ( 3.076 -26.109 3.906) 26.579 18.601 ( 2.105 -6.409 -5.312) 8.586 18.601 ( 2.105 -6.409 5.312) 8.586 19.192 ( 4.040 -6.439 -0.229) 7.605 19.192 ( 4.040 -6.439 0.229) 7.605 21.529 ( -8.755 7.024 -6.982) 13.219 21.529 ( -8.755 7.024 6.982) 13.219 21.615 ( -6.210 4.165 -2.993) 8.054 21.615 ( -6.210 4.165 2.993) 8.054 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -2.207 3.581 -6.427) 7.681 2.633 ( -2.207 3.581 6.427) 7.681 3.043 ( 0.312 -0.743 -4.544) 4.615 3.043 ( 0.312 -0.743 4.544) 4.615 3.399 ( -4.734 -1.994 -7.922) 9.441 3.399 ( -4.734 -1.994 7.922) 9.441 3.494 ( -4.345 -3.159 -5.898) 7.978 3.494 ( -4.345 -3.159 5.898) 7.978 3.748 ( 4.423 1.388 -2.835) 5.434 3.748 ( 4.423 1.388 2.835) 5.434 4.355 ( 3.780 -9.243 -3.637) 10.627 4.355 ( 3.780 -9.243 3.637) 10.627 7.653 ( 14.134 9.776 -9.821) 19.794 7.653 ( 14.134 9.776 9.821) 19.794 8.234 ( 9.901 8.531 -4.344) 13.773 8.234 ( 9.901 8.531 4.344) 13.773 8.961 ( -6.655 4.431 -12.012) 14.429 8.961 ( -6.655 4.431 12.012) 14.429 9.276 ( 1.641 -5.139 -20.223) 20.930 9.276 ( 1.641 -5.139 20.223) 20.930 10.080 ( -5.048 -4.097 -6.724) 9.353 10.080 ( -5.048 -4.097 6.724) 9.353 10.279 ( 2.954 -3.013 -5.954) 7.298 10.279 ( 2.954 -3.013 5.954) 7.298 10.864 ( 3.511 8.460 -16.611) 18.969 10.864 ( 3.511 8.460 16.611) 18.969 11.467 ( -3.235 3.589 -11.656) 12.618 11.467 ( -3.235 3.589 11.656) 12.618 11.948 ( -9.757 -6.147 -1.566) 11.637 11.948 ( -9.757 -6.147 1.566) 11.637 12.602 ( -13.021 -11.126 -3.415) 17.464 12.602 ( -13.021 -11.126 3.415) 17.464 13.450 ( 6.113 0.263 -4.306) 7.482 13.450 ( 6.113 0.263 4.306) 7.482 13.705 ( -4.607 3.895 -6.815) 9.102 13.705 ( -4.607 3.895 6.815) 9.102 14.043 ( 8.130 16.000 -5.556) 18.788 14.043 ( 8.130 16.000 5.556) 18.788 14.347 ( -7.526 -0.165 -9.828) 12.380 14.347 ( -7.526 -0.165 9.828) 12.380 14.858 ( 10.318 -4.583 -12.424) 16.788 14.858 ( 10.318 -4.583 12.424) 16.788 15.696 ( 5.466 0.216 -10.900) 12.196 15.696 ( 5.466 0.216 10.900) 12.196 15.881 ( -5.832 10.273 -13.661) 18.060 15.881 ( -5.832 10.273 13.661) 18.060 17.028 ( 11.159 -3.877 -14.668) 18.834 17.028 ( 11.159 -3.877 14.668) 18.834 17.717 ( 14.135 6.641 -17.406) 23.385 17.717 ( 14.135 6.641 17.406) 23.385 18.330 ( 3.850 -19.956 -7.025) 21.504 18.330 ( 3.850 -19.956 7.025) 21.504 18.626 ( 0.106 -4.116 -6.402) 7.611 18.626 ( 0.106 -4.116 6.402) 7.612 19.327 ( 8.478 -11.554 -0.450) 14.338 19.327 ( 8.478 -11.554 0.450) 14.338 21.275 ( -14.758 9.881 -6.349) 18.861 21.275 ( -14.758 9.881 6.349) 18.861 21.442 ( -9.899 3.600 -2.737) 10.883 21.442 ( -9.899 3.600 2.737) 10.883 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -0.679 5.680 -6.361) 8.555 2.602 ( -0.679 5.680 6.361) 8.555 3.043 ( -0.728 -3.313 -3.443) 4.833 3.043 ( -0.728 -3.313 3.443) 4.833 3.296 ( -4.810 -1.796 -10.614) 11.791 3.296 ( -4.810 -1.796 10.614) 11.791 3.375 ( -5.188 -2.623 -4.915) 7.613 3.375 ( -5.188 -2.623 4.915) 7.613 3.842 ( 3.726 3.734 -1.798) 5.573 3.842 ( 3.726 3.734 1.798) 5.573 4.456 ( 5.249 -12.798 -1.379) 13.901 4.456 ( 5.249 -12.798 1.379) 13.901 7.950 ( 13.165 18.694 -8.305) 24.325 7.950 ( 13.165 18.694 8.305) 24.325 8.419 ( 7.553 9.769 -12.862) 17.831 8.419 ( 7.553 9.769 12.862) 17.831 8.806 ( -7.499 6.914 -5.495) 11.586 8.806 ( -7.499 6.914 5.495) 11.586 9.341 ( 3.536 -7.546 -14.032) 16.320 9.341 ( 3.536 -7.546 14.032) 16.320 9.911 ( -9.655 -12.774 -7.625) 17.735 9.911 ( -9.655 -12.774 7.625) 17.735 10.285 ( -1.486 -10.493 -4.368) 11.462 10.285 ( -1.486 -10.493 4.368) 11.462 11.015 ( 8.924 12.634 -6.433) 16.752 11.015 ( 8.924 12.634 6.433) 16.752 11.412 ( -2.393 10.909 -13.870) 17.807 11.412 ( -2.393 10.909 13.870) 17.807 11.764 ( -6.533 -7.224 -3.444) 10.331 11.764 ( -6.533 -7.224 3.444) 10.331 12.395 ( -7.046 -14.739 -3.081) 16.624 12.395 ( -7.046 -14.739 3.081) 16.624 13.543 ( -0.186 0.393 -5.347) 5.365 13.543 ( -0.186 0.393 5.347) 5.365 13.599 ( -1.707 5.597 -0.870) 5.916 13.599 ( -1.707 5.597 0.870) 5.916 14.099 ( -3.681 10.735 -9.887) 15.051 14.099 ( -3.681 10.735 9.887) 15.051 14.277 ( 2.427 10.847 -3.284) 11.590 14.277 ( 2.427 10.847 3.284) 11.590 15.119 ( 12.881 -7.586 -9.617) 17.775 15.119 ( 12.881 -7.586 9.617) 17.775 15.611 ( -7.513 19.915 -12.724) 24.798 15.611 ( -7.513 19.915 12.724) 24.798 15.956 ( 6.834 -15.638 -1.557) 17.137 15.956 ( 6.834 -15.638 1.557) 17.137 17.238 ( 8.529 -10.413 -10.228) 16.906 17.238 ( 8.529 -10.413 10.228) 16.906 18.013 ( 12.818 9.537 -15.870) 22.519 18.013 ( 12.818 9.537 15.870) 22.519 18.401 ( 3.068 -9.719 -7.468) 12.635 18.401 ( 3.068 -9.719 7.468) 12.635 18.619 ( -0.373 -7.160 -5.361) 8.952 18.619 ( -0.373 -7.160 5.361) 8.952 19.508 ( 7.864 -16.179 -2.171) 18.120 19.508 ( 7.864 -16.179 2.171) 18.120 20.957 ( -14.543 13.823 -4.927) 20.660 20.957 ( -14.543 13.823 4.927) 20.660 21.228 ( -9.743 3.450 -2.756) 10.697 21.228 ( -9.743 3.450 2.756) 10.697 ======================= Grid point 359 (115/120) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 0.171 7.701 -2.880) 8.224 2.600 ( 0.171 7.701 2.880) 8.224 3.017 ( -1.184 -3.392 -2.274) 4.252 3.017 ( -1.184 -3.392 2.274) 4.252 3.230 ( -1.120 -1.812 -4.909) 5.351 3.230 ( -1.120 -1.812 4.909) 5.351 3.292 ( -2.598 -3.866 -1.740) 4.972 3.292 ( -2.598 -3.866 1.740) 4.972 3.898 ( 1.483 6.036 -0.765) 6.263 3.898 ( 1.483 6.036 0.765) 6.263 4.542 ( 2.394 -16.097 -0.282) 16.277 4.542 ( 2.394 -16.097 0.282) 16.277 8.160 ( 6.061 28.993 -3.586) 29.836 8.160 ( 6.061 28.993 3.586) 29.836 8.514 ( 0.535 11.851 -14.798) 18.966 8.514 ( 0.535 11.851 14.798) 18.966 8.706 ( -0.799 3.989 -6.020) 7.265 8.706 ( -0.799 3.989 6.020) 7.265 9.384 ( 0.395 -11.099 -5.429) 12.362 9.384 ( 0.395 -11.099 5.429) 12.362 9.744 ( -4.689 -14.458 -4.432) 15.832 9.744 ( -4.689 -14.458 4.432) 15.832 10.264 ( -0.323 -17.043 -1.000) 17.076 10.264 ( -0.323 -17.043 1.000) 17.076 11.116 ( 0.516 13.428 -1.574) 13.530 11.116 ( 0.516 13.428 1.574) 13.530 11.422 ( 3.105 13.872 -10.181) 17.485 11.422 ( 3.105 13.872 10.181) 17.485 11.674 ( -2.658 -6.017 -3.709) 7.552 11.674 ( -2.658 -6.017 3.709) 7.552 12.298 ( -2.334 -15.222 -1.627) 15.486 12.298 ( -2.334 -15.222 1.627) 15.486 13.482 ( -1.983 3.813 -1.778) 4.651 13.482 ( -1.983 3.813 1.778) 4.651 13.619 ( 0.541 -2.141 -1.096) 2.466 13.619 ( 0.541 -2.141 1.096) 2.466 14.023 ( -2.024 9.353 -4.945) 10.771 14.023 ( -2.024 9.353 4.945) 10.771 14.335 ( 1.717 17.765 -1.713) 17.929 14.335 ( 1.717 17.765 1.713) 17.929 15.343 ( 8.042 -2.534 -5.168) 9.889 15.343 ( 8.042 -2.534 5.168) 9.889 15.475 ( -5.613 16.060 -7.097) 18.434 15.475 ( -5.613 16.060 7.097) 18.434 16.062 ( 2.772 -20.463 -0.122) 20.651 16.062 ( 2.772 -20.463 0.122) 20.651 17.364 ( 3.132 -16.343 -3.754) 17.059 17.364 ( 3.132 -16.343 3.754) 17.059 18.193 ( 3.881 18.490 -7.175) 20.209 18.193 ( 3.881 18.490 7.175) 20.209 18.481 ( 4.370 -10.212 -4.332) 11.923 18.481 ( 4.370 -10.212 4.332) 11.923 18.603 ( -1.550 -8.855 -1.295) 9.083 18.603 ( -1.550 -8.855 1.295) 9.083 19.625 ( 2.991 -19.333 -1.669) 19.634 19.625 ( 2.991 -19.333 1.669) 19.634 20.725 ( -6.353 17.569 -2.165) 18.807 20.725 ( -6.353 17.569 2.165) 18.807 21.073 ( -4.254 3.609 -1.251) 5.718 21.073 ( -4.254 3.609 1.251) 5.718 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 0.000 3.029 -2.498) 3.926 2.725 ( 0.000 3.029 2.498) 3.926 3.149 ( 0.000 -6.231 -4.413) 7.635 3.149 ( 0.000 -6.231 4.413) 7.635 3.345 ( 0.000 4.795 -6.408) 8.003 3.345 ( 0.000 4.795 6.408) 8.003 3.546 ( 0.000 6.046 -6.851) 9.137 3.546 ( 0.000 6.046 6.851) 9.137 3.683 ( 0.000 -6.780 -4.118) 7.932 3.683 ( 0.000 -6.780 4.118) 7.932 4.164 ( 0.000 -4.258 -3.577) 5.561 4.164 ( 0.000 -4.258 3.577) 5.561 7.356 ( 0.000 1.303 -3.280) 3.529 7.356 ( 0.000 1.303 3.280) 3.529 8.005 ( 0.000 1.840 -0.879) 2.039 8.005 ( 0.000 1.840 0.879) 2.039 9.067 ( 0.000 -1.219 -3.454) 3.663 9.067 ( 0.000 -1.219 3.454) 3.663 9.353 ( 0.000 0.676 -4.829) 4.876 9.353 ( 0.000 0.676 4.829) 4.876 9.971 ( 0.000 2.167 -3.628) 4.226 9.971 ( 0.000 2.167 3.628) 4.226 10.379 ( 0.000 1.551 -0.970) 1.830 10.379 ( 0.000 1.551 0.970) 1.830 11.089 ( 0.000 15.729 -6.890) 17.172 11.089 ( 0.000 15.729 6.890) 17.172 11.416 ( 0.000 -14.861 -16.173) 21.964 11.416 ( 0.000 -14.861 16.173) 21.964 12.105 ( 0.000 -2.041 -0.254) 2.057 12.105 ( 0.000 -2.041 0.254) 2.057 13.093 ( 0.000 0.439 -0.271) 0.516 13.093 ( 0.000 0.439 0.271) 0.516 13.178 ( 0.000 -7.686 -1.882) 7.913 13.178 ( 0.000 -7.686 1.882) 7.913 13.447 ( 0.000 0.285 -0.277) 0.397 13.447 ( 0.000 0.285 0.277) 0.397 14.047 ( 0.000 6.045 -3.030) 6.762 14.047 ( 0.000 6.045 3.030) 6.762 14.550 ( 0.000 -0.142 -1.237) 1.246 14.550 ( 0.000 -0.142 1.237) 1.246 14.945 ( 0.000 10.590 -3.348) 11.107 14.945 ( 0.000 10.590 3.348) 11.107 15.318 ( 0.000 -7.251 -2.680) 7.730 15.318 ( 0.000 -7.251 2.680) 7.730 16.385 ( 0.000 0.953 -5.736) 5.814 16.385 ( 0.000 0.953 5.736) 5.814 16.885 ( 0.000 17.961 -3.440) 18.288 16.885 ( 0.000 17.961 3.440) 18.288 17.431 ( 0.000 -0.683 -16.391) 16.406 17.431 ( 0.000 -0.683 16.391) 16.406 17.702 ( 0.000 -19.718 -11.568) 22.860 17.702 ( 0.000 -19.718 11.568) 22.860 18.444 ( 0.000 -4.076 -2.143) 4.605 18.444 ( 0.000 -4.076 2.143) 4.605 19.084 ( 0.000 -2.072 -0.513) 2.135 19.084 ( 0.000 -2.072 0.513) 2.135 21.703 ( 0.000 2.234 -1.999) 2.997 21.703 ( 0.000 2.234 1.999) 2.997 21.753 ( 0.000 1.999 -2.040) 2.856 21.753 ( 0.000 1.999 2.040) 2.856 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -0.235 3.024 -2.644) 4.023 2.724 ( -0.235 3.024 2.644) 4.023 3.100 ( -3.479 -1.642 -1.511) 4.133 3.100 ( -3.479 -1.642 1.511) 4.133 3.342 ( -0.416 -1.721 -3.925) 4.306 3.342 ( -0.416 -1.721 3.925) 4.306 3.549 ( -2.215 2.224 -4.121) 5.180 3.549 ( -2.215 2.224 4.121) 5.180 3.693 ( 2.693 -1.557 -1.719) 3.554 3.693 ( 2.693 -1.557 1.719) 3.554 4.179 ( 1.405 -3.971 -2.989) 5.165 4.179 ( 1.405 -3.971 2.989) 5.165 7.471 ( 10.725 1.741 -3.115) 11.303 7.471 ( 10.725 1.741 3.115) 11.303 8.124 ( 10.693 2.774 -1.014) 11.094 8.124 ( 10.693 2.774 1.014) 11.094 9.060 ( -0.492 -0.187 -4.219) 4.252 9.060 ( -0.492 -0.187 4.219) 4.252 9.279 ( -5.532 -0.548 -8.426) 10.094 9.279 ( -5.532 -0.548 8.426) 10.094 10.080 ( 7.548 2.382 -3.221) 8.545 10.080 ( 7.548 2.382 3.221) 8.545 10.296 ( -7.431 0.168 -1.528) 7.588 10.296 ( -7.431 0.168 1.528) 7.588 11.057 ( -2.809 12.020 -12.734) 17.735 11.057 ( -2.809 12.020 12.734) 17.735 11.398 ( -0.328 -11.104 -14.192) 18.023 11.398 ( -0.328 -11.104 14.192) 18.023 12.044 ( -5.417 -1.692 -0.161) 5.678 12.044 ( -5.417 -1.692 0.161) 5.678 12.837 ( -19.693 -2.654 -1.614) 19.937 12.837 ( -19.693 -2.654 1.614) 19.937 13.264 ( 9.550 -1.936 -1.283) 9.829 13.264 ( 9.550 -1.936 1.283) 9.829 13.608 ( 8.779 -2.231 -0.480) 9.071 13.608 ( 8.779 -2.231 0.480) 9.071 14.147 ( 8.078 7.756 -2.793) 11.542 14.147 ( 8.078 7.756 2.793) 11.542 14.453 ( -7.540 -1.629 -3.111) 8.318 14.453 ( -7.540 -1.629 3.111) 8.318 14.919 ( -1.792 11.341 -3.715) 12.067 14.919 ( -1.792 11.341 3.715) 12.067 15.373 ( 4.325 -9.818 -3.010) 11.142 15.373 ( 4.325 -9.818 3.010) 11.142 16.324 ( -5.149 5.950 -7.938) 11.177 16.324 ( -5.149 5.950 7.938) 11.177 16.913 ( 2.101 9.833 -7.150) 12.338 16.913 ( 2.101 9.833 7.150) 12.338 17.527 ( 8.826 -1.277 -16.121) 18.423 17.527 ( 8.826 -1.277 16.121) 18.423 17.790 ( 8.090 -15.251 -11.571) 20.783 17.790 ( 8.090 -15.251 11.571) 20.783 18.515 ( 6.240 -2.432 -2.992) 7.335 18.515 ( 6.240 -2.432 2.992) 7.335 19.083 ( 0.050 -3.445 -0.144) 3.449 19.083 ( 0.050 -3.445 0.144) 3.449 21.630 ( -6.848 2.861 -2.430) 7.809 21.630 ( -6.848 2.861 2.430) 7.809 21.675 ( -7.104 1.659 -1.139) 7.384 21.675 ( -7.104 1.659 1.139) 7.384 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -0.764 3.306 -2.964) 4.506 2.711 ( -0.764 3.306 2.964) 4.506 3.036 ( -2.527 -0.553 -0.706) 2.682 3.036 ( -2.527 -0.553 0.706) 2.682 3.332 ( -0.727 -2.267 -5.692) 6.170 3.332 ( -0.727 -2.267 5.692) 6.170 3.434 ( -7.526 -2.708 -3.940) 8.916 3.434 ( -7.526 -2.708 3.940) 8.916 3.792 ( 5.677 2.004 -1.614) 6.233 3.792 ( 5.677 2.004 1.614) 6.233 4.218 ( 2.193 -3.975 -1.785) 4.878 4.218 ( 2.193 -3.975 1.785) 4.878 7.781 ( 18.289 3.148 -2.606) 18.740 7.781 ( 18.289 3.148 2.606) 18.740 8.396 ( 13.666 5.869 -3.379) 15.252 8.396 ( 13.666 5.869 3.379) 15.252 9.048 ( -1.074 3.648 -10.752) 11.405 9.048 ( -1.074 3.648 10.752) 11.405 9.175 ( -3.219 -4.385 -15.858) 16.765 9.175 ( -3.219 -4.385 15.858) 16.765 10.047 ( -12.558 1.106 -1.887) 12.747 10.047 ( -12.558 1.106 1.887) 12.747 10.185 ( -3.411 -5.184 -3.608) 7.178 10.185 ( -3.411 -5.184 3.608) 7.178 11.059 ( 5.593 8.860 -11.979) 15.915 11.059 ( 5.593 8.860 11.979) 15.915 11.429 ( 2.837 -5.549 -11.347) 12.946 11.429 ( 2.837 -5.549 11.347) 12.946 11.902 ( -7.673 0.699 -1.185) 7.796 11.902 ( -7.673 0.699 1.185) 7.796 12.424 ( -18.249 -5.760 -1.374) 19.186 12.424 ( -18.249 -5.760 1.374) 19.186 13.464 ( 7.492 0.912 -0.799) 7.590 13.464 ( 7.492 0.912 0.799) 7.590 13.727 ( 1.866 -0.399 -1.785) 2.613 13.727 ( 1.866 -0.399 1.785) 2.613 14.260 ( -0.975 4.625 -4.585) 6.585 14.260 ( -0.975 4.625 4.585) 6.585 14.373 ( 4.169 0.502 -3.270) 5.322 14.373 ( 4.169 0.502 3.270) 5.322 14.925 ( 3.618 12.054 -5.853) 13.880 14.925 ( 3.618 12.054 5.853) 13.880 15.464 ( 3.966 -15.983 -1.091) 16.504 15.464 ( 3.966 -15.983 1.091) 16.504 16.205 ( -5.398 13.887 -8.721) 17.264 16.205 ( -5.398 13.887 8.721) 17.264 16.947 ( 0.660 -4.221 -8.080) 9.140 16.947 ( 0.660 -4.221 8.080) 9.140 17.770 ( 13.638 -1.907 -13.390) 19.207 17.770 ( 13.638 -1.907 13.390) 19.207 18.013 ( 12.389 -7.212 -9.712) 17.316 18.013 ( 12.389 -7.212 9.712) 17.316 18.661 ( 6.493 4.345 -3.341) 8.497 18.661 ( 6.493 4.345 3.341) 8.497 19.096 ( 1.464 -9.451 -0.354) 9.571 19.096 ( 1.464 -9.451 0.354) 9.571 21.428 ( -11.930 5.255 -2.821) 13.337 21.428 ( -11.930 5.255 2.821) 13.337 21.482 ( -10.723 0.110 -0.745) 10.749 21.482 ( -10.723 0.110 0.745) 10.749 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 1.128 4.195 -2.869) 5.206 2.711 ( 1.128 4.195 2.869) 5.206 2.993 ( -1.856 -1.721 -1.753) 3.079 2.993 ( -1.856 -1.721 1.753) 3.079 3.257 ( -6.468 -1.409 -8.259) 10.584 3.257 ( -6.468 -1.409 8.259) 10.584 3.316 ( -3.128 -2.468 -5.059) 6.439 3.316 ( -3.128 -2.468 5.059) 6.439 3.917 ( 6.213 3.001 -1.006) 6.973 3.917 ( 6.213 3.001 1.006) 6.973 4.258 ( 1.226 -6.238 -0.984) 6.433 4.258 ( 1.226 -6.238 0.984) 6.433 8.201 ( 21.181 6.055 -1.638) 22.090 8.201 ( 21.181 6.055 1.638) 22.090 8.635 ( 8.521 9.062 -8.495) 15.063 8.635 ( 8.521 9.062 8.495) 15.063 8.980 ( -5.158 9.402 -13.825) 17.497 8.980 ( -5.158 9.402 13.825) 17.497 9.195 ( 4.280 -7.288 -11.262) 14.080 9.195 ( 4.280 -7.288 11.262) 14.080 9.735 ( -15.967 -3.228 -2.266) 16.447 9.735 ( -15.967 -3.228 2.266) 16.447 10.023 ( -10.233 -12.623 -1.840) 16.353 10.023 ( -10.233 -12.623 1.840) 16.353 11.255 ( 9.843 10.079 -6.008) 15.316 11.255 ( 9.843 10.079 6.008) 15.316 11.490 ( 2.609 -4.019 -9.521) 10.659 11.490 ( 2.609 -4.019 9.521) 10.659 11.754 ( -5.296 6.574 -2.499) 8.804 11.754 ( -5.296 6.574 2.499) 8.804 12.126 ( -9.690 -11.077 -2.528) 14.933 12.126 ( -9.690 -11.077 2.528) 14.933 13.524 ( -1.065 -0.507 -1.813) 2.163 13.524 ( -1.065 -0.507 1.813) 2.163 13.700 ( -3.710 2.536 -2.047) 4.938 13.700 ( -3.710 2.536 2.047) 4.938 14.255 ( 1.649 7.348 -6.807) 10.151 14.255 ( 1.649 7.348 6.807) 10.151 14.489 ( 5.231 1.597 -6.086) 8.183 14.489 ( 5.231 1.597 6.086) 8.183 15.059 ( 7.537 10.011 -5.929) 13.863 15.059 ( 7.537 10.011 5.929) 13.863 15.533 ( 2.684 -22.054 -2.363) 22.342 15.533 ( 2.684 -22.054 2.363) 22.342 16.128 ( -1.467 23.031 -7.471) 24.256 16.128 ( -1.467 23.031 7.471) 24.256 16.929 ( -2.415 -18.239 -6.236) 19.427 16.929 ( -2.415 -18.239 6.236) 19.427 18.065 ( 13.873 -1.063 -8.733) 16.428 18.065 ( 13.873 -1.063 8.733) 16.428 18.270 ( 11.336 -2.633 -6.824) 13.491 18.270 ( 11.336 -2.633 6.824) 13.491 18.745 ( 1.283 15.156 -0.897) 15.237 18.745 ( 1.283 15.156 0.897) 15.237 19.148 ( 3.131 -18.983 -0.936) 19.262 19.148 ( 3.131 -18.983 0.936) 19.262 21.171 ( -11.564 7.727 -2.091) 14.065 21.171 ( -11.564 7.727 2.091) 14.065 21.256 ( -10.117 -1.102 -1.391) 10.271 21.256 ( -10.117 -1.102 1.391) 10.271 ======================= Grid point 377 (120/120) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 2.532 7.208 -1.639) 7.814 2.757 ( 2.532 7.208 1.639) 7.814 2.941 ( -2.858 -4.329 -1.284) 5.344 2.941 ( -2.858 -4.329 1.284) 5.344 3.181 ( 0.103 -1.996 -3.476) 4.009 3.181 ( 0.103 -1.996 3.476) 4.009 3.237 ( -4.053 -1.622 -1.804) 4.723 3.237 ( -4.053 -1.622 1.804) 4.723 4.031 ( 3.738 7.263 -0.586) 8.189 4.031 ( 3.738 7.263 0.586) 8.189 4.264 ( -0.395 -11.322 -0.461) 11.338 4.264 ( -0.395 -11.322 0.461) 11.338 8.616 ( 16.381 11.759 -0.848) 20.183 8.616 ( 16.381 11.759 0.848) 20.183 8.762 ( 3.466 6.582 -6.935) 10.170 8.762 ( 3.466 6.582 6.935) 10.170 8.869 ( -4.122 16.708 -5.031) 17.929 8.869 ( -4.122 16.708 5.031) 17.929 9.208 ( -6.941 -5.366 -2.852) 9.225 9.208 ( -6.941 -5.366 2.852) 9.225 9.504 ( -1.933 -6.506 -2.635) 7.281 9.504 ( -1.933 -6.506 2.635) 7.281 9.828 ( -6.827 -23.242 -1.387) 24.264 9.828 ( -6.827 -23.242 1.387) 24.264 11.362 ( 0.890 11.026 -0.626) 11.080 11.362 ( 0.890 11.026 0.626) 11.080 11.536 ( 1.331 -6.148 -4.799) 7.912 11.536 ( 1.331 -6.148 4.799) 7.912 11.718 ( 1.008 12.965 -0.906) 13.036 11.718 ( 1.008 12.965 0.906) 13.036 12.010 ( -2.259 -13.833 -2.572) 14.250 12.010 ( -2.259 -13.833 2.572) 14.250 13.506 ( 0.765 0.045 -0.890) 1.175 13.506 ( 0.765 0.045 0.890) 1.175 13.595 ( -5.195 -0.664 -0.571) 5.269 13.595 ( -5.195 -0.664 0.571) 5.269 14.298 ( 1.525 16.677 -3.236) 17.056 14.298 ( 1.525 16.677 3.236) 17.056 14.570 ( 2.174 -2.275 -3.112) 4.425 14.570 ( 2.174 -2.274 3.112) 4.425 15.176 ( 2.960 7.181 -2.572) 8.181 15.176 ( 2.960 7.181 2.572) 8.181 15.572 ( 0.922 -24.357 -1.606) 24.427 15.572 ( 0.922 -24.357 1.606) 24.427 16.141 ( 1.604 33.563 -3.377) 33.770 16.141 ( 1.604 33.563 3.377) 33.770 16.866 ( -2.542 -31.226 -2.625) 31.439 16.866 ( -2.542 -31.226 2.625) 31.439 18.311 ( 8.285 1.013 -4.259) 9.371 18.311 ( 8.285 1.013 4.259) 9.371 18.438 ( 3.587 -4.551 -5.697) 8.126 18.438 ( 3.587 -4.551 5.697) 8.126 18.734 ( -1.282 22.714 -2.802) 22.922 18.734 ( -1.282 22.714 2.802) 22.922 19.200 ( 1.369 -23.477 -1.141) 23.545 19.200 ( 1.369 -23.477 1.141) 23.545 20.990 ( -4.869 9.423 -0.821) 10.638 20.990 ( -4.869 9.423 0.821) 10.638 21.097 ( -4.312 -1.711 -0.706) 4.692 21.097 ( -4.312 -1.711 0.706) 4.692 =================== 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 3/37800 10.0 21560.975 32633.659 20258.292 0.000 0.000 -0.000 3/37800 20.0 1968.236 2571.972 1998.916 0.000 0.000 -0.000 3/37800 30.0 812.405 1071.031 831.467 0.000 0.000 -0.000 3/37800 40.0 479.561 631.483 497.614 0.000 0.000 -0.000 3/37800 50.0 308.590 406.252 323.092 0.000 0.000 -0.000 3/37800 60.0 207.375 273.563 217.847 0.000 0.000 -0.000 3/37800 70.0 144.599 191.226 151.987 0.000 0.000 -0.000 3/37800 80.0 104.646 138.578 110.016 0.000 0.000 -0.000 3/37800 90.0 78.535 103.943 82.628 0.000 0.000 -0.000 3/37800 100.0 60.955 80.473 64.217 0.000 0.000 -0.000 3/37800 110.0 48.751 64.097 51.443 0.000 0.000 -0.000 3/37800 120.0 40.025 52.350 42.304 0.000 0.000 -0.000 3/37800 130.0 33.611 43.705 35.579 0.000 0.000 -0.000 3/37800 140.0 28.777 37.193 30.501 0.000 0.000 -0.000 3/37800 150.0 25.050 32.182 26.580 0.000 0.000 -0.000 3/37800 160.0 22.117 28.251 23.488 0.000 0.000 -0.000 3/37800 170.0 19.767 25.113 21.006 0.000 0.000 -0.000 3/37800 180.0 17.853 22.567 18.981 0.000 0.000 -0.000 3/37800 190.0 16.270 20.472 17.304 0.000 0.000 -0.000 3/37800 200.0 14.943 18.725 15.897 0.000 0.000 -0.000 3/37800 210.0 13.818 17.251 14.702 0.000 0.000 -0.000 3/37800 220.0 12.854 15.992 13.677 0.000 0.000 -0.000 3/37800 230.0 12.019 14.908 12.789 0.000 0.000 -0.000 3/37800 240.0 11.290 13.965 12.013 0.000 0.000 -0.000 3/37800 250.0 10.647 13.139 11.330 0.000 0.000 -0.000 3/37800 260.0 10.078 12.409 10.723 0.000 0.000 -0.000 3/37800 270.0 9.569 11.759 10.181 0.000 0.000 -0.000 3/37800 280.0 9.112 11.178 9.694 0.000 0.000 -0.000 3/37800 290.0 8.699 10.654 9.254 0.000 0.000 -0.000 3/37800 300.0 8.324 10.180 8.855 0.000 0.000 -0.000 3/37800 310.0 7.982 9.750 8.490 0.000 0.000 -0.000 3/37800 320.0 7.669 9.356 8.156 0.000 0.000 -0.000 3/37800 330.0 7.381 8.995 7.849 0.000 0.000 -0.000 3/37800 340.0 7.115 8.662 7.566 0.000 0.000 -0.000 3/37800 350.0 6.869 8.355 7.303 0.000 0.000 -0.000 3/37800 360.0 6.640 8.070 7.060 0.000 0.000 -0.000 3/37800 370.0 6.427 7.806 6.832 0.000 0.000 -0.000 3/37800 380.0 6.228 7.559 6.620 0.000 0.000 -0.000 3/37800 390.0 6.041 7.328 6.422 0.000 0.000 -0.000 3/37800 400.0 5.866 7.112 6.235 0.000 0.000 -0.000 3/37800 410.0 5.702 6.909 6.060 0.000 0.000 -0.000 3/37800 420.0 5.547 6.717 5.895 0.000 0.000 -0.000 3/37800 430.0 5.400 6.537 5.739 0.000 0.000 -0.000 3/37800 440.0 5.261 6.367 5.591 0.000 0.000 -0.000 3/37800 450.0 5.130 6.205 5.451 0.000 0.000 -0.000 3/37800 460.0 5.006 6.053 5.319 0.000 0.000 -0.000 3/37800 470.0 4.887 5.908 5.192 0.000 0.000 -0.000 3/37800 480.0 4.774 5.770 5.073 0.000 0.000 -0.000 3/37800 490.0 4.667 5.638 4.958 0.000 0.000 -0.000 3/37800 500.0 4.565 5.513 4.849 0.000 0.000 -0.000 3/37800 510.0 4.467 5.393 4.745 0.000 0.000 -0.000 3/37800 520.0 4.373 5.279 4.645 0.000 0.000 -0.000 3/37800 530.0 4.283 5.170 4.550 0.000 0.000 -0.000 3/37800 540.0 4.197 5.065 4.459 0.000 0.000 -0.000 3/37800 550.0 4.115 4.965 4.371 0.000 0.000 -0.000 3/37800 560.0 4.036 4.868 4.287 0.000 0.000 -0.000 3/37800 570.0 3.960 4.776 4.206 0.000 0.000 -0.000 3/37800 580.0 3.887 4.687 4.128 0.000 0.000 -0.000 3/37800 590.0 3.816 4.601 4.053 0.000 0.000 -0.000 3/37800 600.0 3.749 4.519 3.981 0.000 0.000 -0.000 3/37800 610.0 3.683 4.440 3.912 0.000 0.000 -0.000 3/37800 620.0 3.620 4.363 3.844 0.000 0.000 -0.000 3/37800 630.0 3.559 4.289 3.780 0.000 0.000 -0.000 3/37800 640.0 3.500 4.218 3.717 0.000 0.000 -0.000 3/37800 650.0 3.444 4.149 3.657 0.000 0.000 -0.000 3/37800 660.0 3.389 4.082 3.598 0.000 0.000 -0.000 3/37800 670.0 3.335 4.018 3.542 0.000 0.000 -0.000 3/37800 680.0 3.284 3.955 3.487 0.000 0.000 -0.000 3/37800 690.0 3.234 3.895 3.434 0.000 0.000 -0.000 3/37800 700.0 3.186 3.836 3.382 0.000 0.000 -0.000 3/37800 710.0 3.139 3.779 3.332 0.000 0.000 -0.000 3/37800 720.0 3.093 3.724 3.284 0.000 0.000 -0.000 3/37800 730.0 3.049 3.671 3.237 0.000 0.000 -0.000 3/37800 740.0 3.006 3.619 3.191 0.000 0.000 -0.000 3/37800 750.0 2.964 3.568 3.147 0.000 0.000 -0.000 3/37800 760.0 2.924 3.519 3.104 0.000 0.000 -0.000 3/37800 770.0 2.884 3.472 3.062 0.000 0.000 -0.000 3/37800 780.0 2.846 3.425 3.021 0.000 0.000 -0.000 3/37800 790.0 2.808 3.380 2.982 0.000 0.000 -0.000 3/37800 800.0 2.772 3.336 2.943 0.000 0.000 -0.000 3/37800 810.0 2.737 3.293 2.905 0.000 0.000 -0.000 3/37800 820.0 2.702 3.252 2.869 0.000 0.000 -0.000 3/37800 830.0 2.669 3.211 2.833 0.000 0.000 -0.000 3/37800 840.0 2.636 3.171 2.798 0.000 0.000 -0.000 3/37800 850.0 2.604 3.133 2.764 0.000 0.000 -0.000 3/37800 860.0 2.573 3.095 2.731 0.000 0.000 -0.000 3/37800 870.0 2.542 3.058 2.699 0.000 0.000 -0.000 3/37800 880.0 2.512 3.022 2.667 0.000 0.000 -0.000 3/37800 890.0 2.483 2.987 2.636 0.000 0.000 -0.000 3/37800 900.0 2.455 2.953 2.606 0.000 0.000 -0.000 3/37800 910.0 2.427 2.920 2.577 0.000 0.000 -0.000 3/37800 920.0 2.400 2.887 2.548 0.000 0.000 -0.000 3/37800 930.0 2.374 2.855 2.520 0.000 0.000 -0.000 3/37800 940.0 2.348 2.824 2.492 0.000 0.000 -0.000 3/37800 950.0 2.322 2.793 2.465 0.000 0.000 -0.000 3/37800 960.0 2.298 2.763 2.439 0.000 0.000 -0.000 3/37800 970.0 2.273 2.734 2.413 0.000 0.000 -0.000 3/37800 980.0 2.250 2.705 2.388 0.000 0.000 -0.000 3/37800 990.0 2.226 2.677 2.363 0.000 0.000 -0.000 3/37800 1000.0 2.204 2.650 2.339 0.000 0.000 -0.000 3/37800 Thermal conductivity related properties were written into "kappa-m9710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:56:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|