----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:26:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 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 5.828075610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.776517449999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.330832609999999 Atomic positions (fractional): *1 O 0.19710304579137 0.44915780341166 0.31506957774839 15.999 2 O 0.30289695420863 0.55084219658834 0.81506957774839 15.999 3 O 0.69710304579137 0.05084219658834 0.18493042225161 15.999 4 O 0.80289695420863 0.94915780341166 0.68493042225161 15.999 5 O 0.80289695420863 0.55084219658834 0.68493042225161 15.999 6 O 0.69710304579137 0.44915780341166 0.18493042225161 15.999 7 O 0.30289695420863 0.94915780341166 0.81506957774839 15.999 8 O 0.19710304579137 0.05084219658834 0.31506957774839 15.999 *9 O 0.02992862107188 0.25000000000000 0.89460253757682 15.999 10 O 0.47007137892812 0.75000000000000 0.39460253757682 15.999 11 O 0.52992862107188 0.25000000000000 0.60539746242318 15.999 12 O 0.97007137892812 0.75000000000000 0.10539746242318 15.999 *13 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 14 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 15 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 16 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 *17 Pr 0.57694592825050 0.75000000000000 0.97415736556081 140.908 18 Pr 0.92305407174950 0.25000000000000 0.47415736556081 140.908 19 Pr 0.07694592825050 0.75000000000000 0.52584263443919 140.908 20 Pr 0.42305407174950 0.25000000000000 0.02584263443919 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.828075610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.776517449999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.330832609999999 Atomic positions (fractional): *1 O 0.19710304579137 0.44915780341166 0.31506957774839 15.999 > 1 2 O 0.30289695420863 0.55084219658834 0.81506957774839 15.999 > 2 3 O 0.69710304579137 0.05084219658834 0.18493042225161 15.999 > 3 4 O 0.80289695420863 0.94915780341166 0.68493042225161 15.999 > 4 5 O 0.80289695420863 0.55084219658834 0.68493042225161 15.999 > 5 6 O 0.69710304579137 0.44915780341166 0.18493042225161 15.999 > 6 7 O 0.30289695420863 0.94915780341166 0.81506957774839 15.999 > 7 8 O 0.19710304579137 0.05084219658834 0.31506957774839 15.999 > 8 *9 O 0.02992862107188 0.25000000000000 0.89460253757682 15.999 > 9 10 O 0.47007137892812 0.75000000000000 0.39460253757682 15.999 > 10 11 O 0.52992862107188 0.25000000000000 0.60539746242318 15.999 > 11 12 O 0.97007137892812 0.75000000000000 0.10539746242318 15.999 > 12 *13 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 13 14 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 14 15 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 15 16 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 16 *17 Pr 0.57694592825050 0.75000000000000 0.97415736556081 140.908 > 17 18 Pr 0.92305407174950 0.25000000000000 0.47415736556081 140.908 > 18 19 Pr 0.07694592825050 0.75000000000000 0.52584263443919 140.908 > 19 20 Pr 0.42305407174950 0.25000000000000 0.02584263443919 140.908 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.656151220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.776517449999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.661665219999998 Atomic positions (fractional): *1 O 0.09855152289568 0.44915780341166 0.15753478887419 15.999 > 1 2 O 0.59855152289568 0.44915780341166 0.15753478887419 15.999 > 1 3 O 0.09855152289568 0.44915780341166 0.65753478887419 15.999 > 1 4 O 0.59855152289568 0.44915780341166 0.65753478887419 15.999 > 1 5 O 0.15144847710432 0.55084219658834 0.40753478887419 15.999 > 2 6 O 0.65144847710432 0.55084219658834 0.40753478887419 15.999 > 2 7 O 0.15144847710432 0.55084219658834 0.90753478887419 15.999 > 2 8 O 0.65144847710432 0.55084219658834 0.90753478887419 15.999 > 2 9 O 0.34855152289568 0.05084219658834 0.09246521112581 15.999 > 3 10 O 0.84855152289568 0.05084219658834 0.09246521112581 15.999 > 3 11 O 0.34855152289568 0.05084219658834 0.59246521112581 15.999 > 3 12 O 0.84855152289568 0.05084219658834 0.59246521112581 15.999 > 3 13 O 0.40144847710432 0.94915780341166 0.34246521112581 15.999 > 4 14 O 0.90144847710432 0.94915780341166 0.34246521112581 15.999 > 4 15 O 0.40144847710432 0.94915780341166 0.84246521112581 15.999 > 4 16 O 0.90144847710432 0.94915780341166 0.84246521112581 15.999 > 4 17 O 0.40144847710432 0.55084219658834 0.34246521112581 15.999 > 5 18 O 0.90144847710432 0.55084219658834 0.34246521112581 15.999 > 5 19 O 0.40144847710432 0.55084219658834 0.84246521112581 15.999 > 5 20 O 0.90144847710432 0.55084219658834 0.84246521112581 15.999 > 5 21 O 0.34855152289568 0.44915780341166 0.09246521112581 15.999 > 6 22 O 0.84855152289568 0.44915780341166 0.09246521112581 15.999 > 6 23 O 0.34855152289568 0.44915780341166 0.59246521112581 15.999 > 6 24 O 0.84855152289568 0.44915780341166 0.59246521112581 15.999 > 6 25 O 0.15144847710432 0.94915780341166 0.40753478887419 15.999 > 7 26 O 0.65144847710432 0.94915780341166 0.40753478887419 15.999 > 7 27 O 0.15144847710432 0.94915780341166 0.90753478887419 15.999 > 7 28 O 0.65144847710432 0.94915780341166 0.90753478887419 15.999 > 7 29 O 0.09855152289568 0.05084219658834 0.15753478887419 15.999 > 8 30 O 0.59855152289568 0.05084219658834 0.15753478887419 15.999 > 8 31 O 0.09855152289568 0.05084219658834 0.65753478887419 15.999 > 8 32 O 0.59855152289568 0.05084219658834 0.65753478887419 15.999 > 8 *33 O 0.01496431053594 0.25000000000000 0.44730126878841 15.999 > 9 34 O 0.51496431053594 0.25000000000000 0.44730126878841 15.999 > 9 35 O 0.01496431053594 0.25000000000000 0.94730126878841 15.999 > 9 36 O 0.51496431053594 0.25000000000000 0.94730126878841 15.999 > 9 37 O 0.23503568946406 0.75000000000000 0.19730126878841 15.999 > 10 38 O 0.73503568946406 0.75000000000000 0.19730126878841 15.999 > 10 39 O 0.23503568946406 0.75000000000000 0.69730126878841 15.999 > 10 40 O 0.73503568946406 0.75000000000000 0.69730126878841 15.999 > 10 41 O 0.26496431053594 0.25000000000000 0.30269873121159 15.999 > 11 42 O 0.76496431053594 0.25000000000000 0.30269873121159 15.999 > 11 43 O 0.26496431053594 0.25000000000000 0.80269873121159 15.999 > 11 44 O 0.76496431053594 0.25000000000000 0.80269873121159 15.999 > 11 45 O 0.48503568946406 0.75000000000000 0.05269873121159 15.999 > 12 46 O 0.98503568946406 0.75000000000000 0.05269873121159 15.999 > 12 47 O 0.48503568946406 0.75000000000000 0.55269873121159 15.999 > 12 48 O 0.98503568946406 0.75000000000000 0.55269873121159 15.999 > 12 *49 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 13 50 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 13 51 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 13 52 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 13 53 Rh 0.25000000000000 0.50000000000000 0.25000000000000 102.906 > 14 54 Rh 0.75000000000000 0.50000000000000 0.25000000000000 102.906 > 14 55 Rh 0.25000000000000 0.50000000000000 0.75000000000000 102.906 > 14 56 Rh 0.75000000000000 0.50000000000000 0.75000000000000 102.906 > 14 57 Rh 0.25000000000000 0.00000000000000 0.25000000000000 102.906 > 15 58 Rh 0.75000000000000 0.00000000000000 0.25000000000000 102.906 > 15 59 Rh 0.25000000000000 0.00000000000000 0.75000000000000 102.906 > 15 60 Rh 0.75000000000000 0.00000000000000 0.75000000000000 102.906 > 15 61 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 16 62 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 16 63 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 16 64 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 16 *65 Pr 0.28847296412525 0.75000000000000 0.48707868278040 140.908 > 17 66 Pr 0.78847296412525 0.75000000000000 0.48707868278040 140.908 > 17 67 Pr 0.28847296412525 0.75000000000000 0.98707868278040 140.908 > 17 68 Pr 0.78847296412525 0.75000000000000 0.98707868278040 140.908 > 17 69 Pr 0.46152703587475 0.25000000000000 0.23707868278040 140.908 > 18 70 Pr 0.96152703587475 0.25000000000000 0.23707868278040 140.908 > 18 71 Pr 0.46152703587475 0.25000000000000 0.73707868278040 140.908 > 18 72 Pr 0.96152703587475 0.25000000000000 0.73707868278040 140.908 > 18 73 Pr 0.03847296412525 0.75000000000000 0.26292131721960 140.908 > 19 74 Pr 0.53847296412525 0.75000000000000 0.26292131721960 140.908 > 19 75 Pr 0.03847296412525 0.75000000000000 0.76292131721960 140.908 > 19 76 Pr 0.53847296412525 0.75000000000000 0.76292131721960 140.908 > 19 77 Pr 0.21152703587475 0.25000000000000 0.01292131721960 140.908 > 20 78 Pr 0.71152703587475 0.25000000000000 0.01292131721960 140.908 > 20 79 Pr 0.21152703587475 0.25000000000000 0.51292131721960 140.908 > 20 80 Pr 0.71152703587475 0.25000000000000 0.51292131721960 140.908 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.4964459 0.0000000 0.0000000 0.0000000 12.1868701 0.0000000 0.0000000 0.0000000 13.2376834 -------------------------- Born effective charges -------------------------- 1 O -2.3359824 0.0122855 -0.7622910 0.0533867 -1.4514936 -0.2608663 -0.9094858 -0.3591581 -1.9858959 2 O -2.3359824 0.0122855 0.7622910 0.0533867 -1.4514936 0.2608663 0.9094858 0.3591581 -1.9858959 3 O -2.3359824 -0.0122855 0.7622910 -0.0533867 -1.4514936 -0.2608663 0.9094858 -0.3591581 -1.9858959 4 O -2.3359824 -0.0122855 -0.7622910 -0.0533867 -1.4514936 0.2608663 -0.9094858 0.3591581 -1.9858959 5 O -2.3359824 0.0122855 -0.7622910 0.0533867 -1.4514936 -0.2608663 -0.9094858 -0.3591581 -1.9858959 6 O -2.3359824 0.0122855 0.7622910 0.0533867 -1.4514936 0.2608663 0.9094858 0.3591581 -1.9858959 7 O -2.3359824 -0.0122855 0.7622910 -0.0533867 -1.4514936 -0.2608663 0.9094858 -0.3591581 -1.9858959 8 O -2.3359824 -0.0122855 -0.7622910 -0.0533867 -1.4514936 0.2608663 -0.9094858 0.3591581 -1.9858959 9 O -1.2581709 0.0000000 -0.5658096 0.0000000 -3.0490623 0.0000000 -0.7388899 0.0000000 -1.3958987 10 O -1.2581709 0.0000000 0.5658096 0.0000000 -3.0490623 0.0000000 0.7388899 0.0000000 -1.3958987 11 O -1.2581709 0.0000000 0.5658096 0.0000000 -3.0490623 0.0000000 0.7388899 0.0000000 -1.3958987 12 O -1.2581709 0.0000000 -0.5658096 0.0000000 -3.0490623 0.0000000 -0.7388899 0.0000000 -1.3958987 13 Rh 1.6578253 -0.2429613 1.1028260 -0.6994511 1.7614233 0.9994422 -0.4213110 -1.0209985 0.8666839 14 Rh 1.6578253 -0.2429613 -1.1028260 -0.6994511 1.7614233 -0.9994422 0.4213110 1.0209985 0.8666839 15 Rh 1.6578253 0.2429613 -1.1028260 0.6994511 1.7614233 0.9994422 0.4213110 -1.0209985 0.8666839 16 Rh 1.6578253 0.2429613 1.1028260 0.6994511 1.7614233 -0.9994422 -0.4213110 1.0209985 0.8666839 17 Pr 4.2723104 0.0000000 -0.0022336 0.0000000 4.1906262 0.0000000 0.3326615 0.0000000 4.5010065 18 Pr 4.2723104 0.0000000 0.0022336 0.0000000 4.1906262 0.0000000 -0.3326615 0.0000000 4.5010065 19 Pr 4.2723104 0.0000000 0.0022336 0.0000000 4.1906262 0.0000000 -0.3326615 0.0000000 4.5010065 20 Pr 4.2723104 0.0000000 -0.0022336 0.0000000 4.1906262 0.0000000 0.3326615 0.0000000 4.5010065 ---------------------------------------------------------------------------- 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: 0.777 Solver_block: 200 / 320 - Time: 0.821 Solver_block: 300 / 320 - Time: 0.792 Solver_block: 320 / 320 - Time: 0.287 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.784 --------------------------------- 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 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:26:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:26:36]------------------------- 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 5.828075610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.776517449999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.330832609999999 Atomic positions (fractional): 1 O 0.19710304579137 0.44915780341166 0.31506957774839 15.999 2 O 0.30289695420863 0.55084219658834 0.81506957774839 15.999 3 O 0.69710304579137 0.05084219658834 0.18493042225161 15.999 4 O 0.80289695420863 0.94915780341166 0.68493042225161 15.999 5 O 0.80289695420863 0.55084219658834 0.68493042225161 15.999 6 O 0.69710304579137 0.44915780341166 0.18493042225161 15.999 7 O 0.30289695420863 0.94915780341166 0.81506957774839 15.999 8 O 0.19710304579137 0.05084219658834 0.31506957774839 15.999 9 O 0.02992862107188 0.25000000000000 0.89460253757682 15.999 10 O 0.47007137892812 0.75000000000000 0.39460253757682 15.999 11 O 0.52992862107188 0.25000000000000 0.60539746242318 15.999 12 O 0.97007137892812 0.75000000000000 0.10539746242318 15.999 13 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 14 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 15 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 16 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 17 Pr 0.57694592825050 0.75000000000000 0.97415736556081 140.908 18 Pr 0.92305407174950 0.25000000000000 0.47415736556081 140.908 19 Pr 0.07694592825050 0.75000000000000 0.52584263443919 140.908 20 Pr 0.42305407174950 0.25000000000000 0.02584263443919 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.656151220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.776517449999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.661665219999998 Atomic positions (fractional): 1 O 0.09855152289568 0.44915780341166 0.15753478887419 15.999 > 1 2 O 0.59855152289568 0.44915780341166 0.15753478887419 15.999 > 1 3 O 0.09855152289568 0.44915780341166 0.65753478887419 15.999 > 1 4 O 0.59855152289568 0.44915780341166 0.65753478887419 15.999 > 1 5 O 0.15144847710432 0.55084219658834 0.40753478887419 15.999 > 5 6 O 0.65144847710432 0.55084219658834 0.40753478887419 15.999 > 5 7 O 0.15144847710432 0.55084219658834 0.90753478887419 15.999 > 5 8 O 0.65144847710432 0.55084219658834 0.90753478887419 15.999 > 5 9 O 0.34855152289568 0.05084219658834 0.09246521112581 15.999 > 9 10 O 0.84855152289568 0.05084219658834 0.09246521112581 15.999 > 9 11 O 0.34855152289568 0.05084219658834 0.59246521112581 15.999 > 9 12 O 0.84855152289568 0.05084219658834 0.59246521112581 15.999 > 9 13 O 0.40144847710432 0.94915780341166 0.34246521112581 15.999 > 13 14 O 0.90144847710432 0.94915780341166 0.34246521112581 15.999 > 13 15 O 0.40144847710432 0.94915780341166 0.84246521112581 15.999 > 13 16 O 0.90144847710432 0.94915780341166 0.84246521112581 15.999 > 13 17 O 0.40144847710432 0.55084219658834 0.34246521112581 15.999 > 17 18 O 0.90144847710432 0.55084219658834 0.34246521112581 15.999 > 17 19 O 0.40144847710432 0.55084219658834 0.84246521112581 15.999 > 17 20 O 0.90144847710432 0.55084219658834 0.84246521112581 15.999 > 17 21 O 0.34855152289568 0.44915780341166 0.09246521112581 15.999 > 21 22 O 0.84855152289568 0.44915780341166 0.09246521112581 15.999 > 21 23 O 0.34855152289568 0.44915780341166 0.59246521112581 15.999 > 21 24 O 0.84855152289568 0.44915780341166 0.59246521112581 15.999 > 21 25 O 0.15144847710432 0.94915780341166 0.40753478887419 15.999 > 25 26 O 0.65144847710432 0.94915780341166 0.40753478887419 15.999 > 25 27 O 0.15144847710432 0.94915780341166 0.90753478887419 15.999 > 25 28 O 0.65144847710432 0.94915780341166 0.90753478887419 15.999 > 25 29 O 0.09855152289568 0.05084219658834 0.15753478887419 15.999 > 29 30 O 0.59855152289568 0.05084219658834 0.15753478887419 15.999 > 29 31 O 0.09855152289568 0.05084219658834 0.65753478887419 15.999 > 29 32 O 0.59855152289568 0.05084219658834 0.65753478887419 15.999 > 29 33 O 0.01496431053594 0.25000000000000 0.44730126878841 15.999 > 33 34 O 0.51496431053594 0.25000000000000 0.44730126878841 15.999 > 33 35 O 0.01496431053594 0.25000000000000 0.94730126878841 15.999 > 33 36 O 0.51496431053594 0.25000000000000 0.94730126878841 15.999 > 33 37 O 0.23503568946406 0.75000000000000 0.19730126878841 15.999 > 37 38 O 0.73503568946406 0.75000000000000 0.19730126878841 15.999 > 37 39 O 0.23503568946406 0.75000000000000 0.69730126878841 15.999 > 37 40 O 0.73503568946406 0.75000000000000 0.69730126878841 15.999 > 37 41 O 0.26496431053594 0.25000000000000 0.30269873121159 15.999 > 41 42 O 0.76496431053594 0.25000000000000 0.30269873121159 15.999 > 41 43 O 0.26496431053594 0.25000000000000 0.80269873121159 15.999 > 41 44 O 0.76496431053594 0.25000000000000 0.80269873121159 15.999 > 41 45 O 0.48503568946406 0.75000000000000 0.05269873121159 15.999 > 45 46 O 0.98503568946406 0.75000000000000 0.05269873121159 15.999 > 45 47 O 0.48503568946406 0.75000000000000 0.55269873121159 15.999 > 45 48 O 0.98503568946406 0.75000000000000 0.55269873121159 15.999 > 45 49 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 49 50 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 49 51 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 49 52 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 49 53 Rh 0.25000000000000 0.50000000000000 0.25000000000000 102.906 > 53 54 Rh 0.75000000000000 0.50000000000000 0.25000000000000 102.906 > 53 55 Rh 0.25000000000000 0.50000000000000 0.75000000000000 102.906 > 53 56 Rh 0.75000000000000 0.50000000000000 0.75000000000000 102.906 > 53 57 Rh 0.25000000000000 0.00000000000000 0.25000000000000 102.906 > 57 58 Rh 0.75000000000000 0.00000000000000 0.25000000000000 102.906 > 57 59 Rh 0.25000000000000 0.00000000000000 0.75000000000000 102.906 > 57 60 Rh 0.75000000000000 0.00000000000000 0.75000000000000 102.906 > 57 61 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 61 62 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 61 63 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 61 64 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 61 65 Pr 0.28847296412525 0.75000000000000 0.48707868278040 140.908 > 65 66 Pr 0.78847296412525 0.75000000000000 0.48707868278040 140.908 > 65 67 Pr 0.28847296412525 0.75000000000000 0.98707868278040 140.908 > 65 68 Pr 0.78847296412525 0.75000000000000 0.98707868278040 140.908 > 65 69 Pr 0.46152703587475 0.25000000000000 0.23707868278040 140.908 > 69 70 Pr 0.96152703587475 0.25000000000000 0.23707868278040 140.908 > 69 71 Pr 0.46152703587475 0.25000000000000 0.73707868278040 140.908 > 69 72 Pr 0.96152703587475 0.25000000000000 0.73707868278040 140.908 > 69 73 Pr 0.03847296412525 0.75000000000000 0.26292131721960 140.908 > 73 74 Pr 0.53847296412525 0.75000000000000 0.26292131721960 140.908 > 73 75 Pr 0.03847296412525 0.75000000000000 0.76292131721960 140.908 > 73 76 Pr 0.53847296412525 0.75000000000000 0.76292131721960 140.908 > 73 77 Pr 0.21152703587475 0.25000000000000 0.01292131721960 140.908 > 77 78 Pr 0.71152703587475 0.25000000000000 0.01292131721960 140.908 > 77 79 Pr 0.21152703587475 0.25000000000000 0.51292131721960 140.908 > 77 80 Pr 0.71152703587475 0.25000000000000 0.51292131721960 140.908 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.4964459 0.0000000 0.0000000 0.0000000 12.1868701 0.0000000 0.0000000 0.0000000 13.2376834 -------------------------- Born effective charges -------------------------- 1 O -2.3359824 0.0122855 -0.7622910 0.0533867 -1.4514936 -0.2608663 -0.9094858 -0.3591581 -1.9858959 2 O -2.3359824 0.0122855 0.7622910 0.0533867 -1.4514936 0.2608663 0.9094858 0.3591581 -1.9858959 3 O -2.3359824 -0.0122855 0.7622910 -0.0533867 -1.4514936 -0.2608663 0.9094858 -0.3591581 -1.9858959 4 O -2.3359824 -0.0122855 -0.7622910 -0.0533867 -1.4514936 0.2608663 -0.9094858 0.3591581 -1.9858959 5 O -2.3359824 0.0122855 -0.7622910 0.0533867 -1.4514936 -0.2608663 -0.9094858 -0.3591581 -1.9858959 6 O -2.3359824 0.0122855 0.7622910 0.0533867 -1.4514936 0.2608663 0.9094858 0.3591581 -1.9858959 7 O -2.3359824 -0.0122855 0.7622910 -0.0533867 -1.4514936 -0.2608663 0.9094858 -0.3591581 -1.9858959 8 O -2.3359824 -0.0122855 -0.7622910 -0.0533867 -1.4514936 0.2608663 -0.9094858 0.3591581 -1.9858959 9 O -1.2581709 0.0000000 -0.5658096 0.0000000 -3.0490623 0.0000000 -0.7388899 0.0000000 -1.3958987 10 O -1.2581709 0.0000000 0.5658096 0.0000000 -3.0490623 0.0000000 0.7388899 0.0000000 -1.3958987 11 O -1.2581709 0.0000000 0.5658096 0.0000000 -3.0490623 0.0000000 0.7388899 0.0000000 -1.3958987 12 O -1.2581709 0.0000000 -0.5658096 0.0000000 -3.0490623 0.0000000 -0.7388899 0.0000000 -1.3958987 13 Rh 1.6578253 -0.2429613 1.1028260 -0.6994511 1.7614233 0.9994422 -0.4213110 -1.0209985 0.8666839 14 Rh 1.6578253 -0.2429613 -1.1028260 -0.6994511 1.7614233 -0.9994422 0.4213110 1.0209985 0.8666839 15 Rh 1.6578253 0.2429613 -1.1028260 0.6994511 1.7614233 0.9994422 0.4213110 -1.0209985 0.8666839 16 Rh 1.6578253 0.2429613 1.1028260 0.6994511 1.7614233 -0.9994422 -0.4213110 1.0209985 0.8666839 17 Pr 4.2723104 0.0000000 -0.0022336 0.0000000 4.1906262 0.0000000 0.3326615 0.0000000 4.5010065 18 Pr 4.2723104 0.0000000 0.0022336 0.0000000 4.1906262 0.0000000 -0.3326615 0.0000000 4.5010065 19 Pr 4.2723104 0.0000000 0.0022336 0.0000000 4.1906262 0.0000000 -0.3326615 0.0000000 4.5010065 20 Pr 4.2723104 0.0000000 -0.0022336 0.0000000 4.1906262 0.0000000 0.3326615 0.0000000 4.5010065 ---------------------------------------------------------------------------- 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[ 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, 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: 0.00000008 (yyy) 0.00000008 (yyy) 0.00000008 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000008 (yx) 0.00000008 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:26:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:26:48]------------------------- 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 5.828075610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.776517449999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.330832609999999 Atomic positions (fractional): 1 O 0.19710304579137 0.44915780341166 0.31506957774839 15.999 2 O 0.30289695420863 0.55084219658834 0.81506957774839 15.999 3 O 0.69710304579137 0.05084219658834 0.18493042225161 15.999 4 O 0.80289695420863 0.94915780341166 0.68493042225161 15.999 5 O 0.80289695420863 0.55084219658834 0.68493042225161 15.999 6 O 0.69710304579137 0.44915780341166 0.18493042225161 15.999 7 O 0.30289695420863 0.94915780341166 0.81506957774839 15.999 8 O 0.19710304579137 0.05084219658834 0.31506957774839 15.999 9 O 0.02992862107188 0.25000000000000 0.89460253757682 15.999 10 O 0.47007137892812 0.75000000000000 0.39460253757682 15.999 11 O 0.52992862107188 0.25000000000000 0.60539746242318 15.999 12 O 0.97007137892812 0.75000000000000 0.10539746242318 15.999 13 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 14 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 15 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 16 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 17 Pr 0.57694592825050 0.75000000000000 0.97415736556081 140.908 18 Pr 0.92305407174950 0.25000000000000 0.47415736556081 140.908 19 Pr 0.07694592825050 0.75000000000000 0.52584263443919 140.908 20 Pr 0.42305407174950 0.25000000000000 0.02584263443919 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.656151220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.776517449999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.661665219999998 Atomic positions (fractional): 1 O 0.09855152289568 0.44915780341166 0.15753478887419 15.999 > 1 2 O 0.59855152289568 0.44915780341166 0.15753478887419 15.999 > 1 3 O 0.09855152289568 0.44915780341166 0.65753478887419 15.999 > 1 4 O 0.59855152289568 0.44915780341166 0.65753478887419 15.999 > 1 5 O 0.15144847710432 0.55084219658834 0.40753478887419 15.999 > 5 6 O 0.65144847710432 0.55084219658834 0.40753478887419 15.999 > 5 7 O 0.15144847710432 0.55084219658834 0.90753478887419 15.999 > 5 8 O 0.65144847710432 0.55084219658834 0.90753478887419 15.999 > 5 9 O 0.34855152289568 0.05084219658834 0.09246521112581 15.999 > 9 10 O 0.84855152289568 0.05084219658834 0.09246521112581 15.999 > 9 11 O 0.34855152289568 0.05084219658834 0.59246521112581 15.999 > 9 12 O 0.84855152289568 0.05084219658834 0.59246521112581 15.999 > 9 13 O 0.40144847710432 0.94915780341166 0.34246521112581 15.999 > 13 14 O 0.90144847710432 0.94915780341166 0.34246521112581 15.999 > 13 15 O 0.40144847710432 0.94915780341166 0.84246521112581 15.999 > 13 16 O 0.90144847710432 0.94915780341166 0.84246521112581 15.999 > 13 17 O 0.40144847710432 0.55084219658834 0.34246521112581 15.999 > 17 18 O 0.90144847710432 0.55084219658834 0.34246521112581 15.999 > 17 19 O 0.40144847710432 0.55084219658834 0.84246521112581 15.999 > 17 20 O 0.90144847710432 0.55084219658834 0.84246521112581 15.999 > 17 21 O 0.34855152289568 0.44915780341166 0.09246521112581 15.999 > 21 22 O 0.84855152289568 0.44915780341166 0.09246521112581 15.999 > 21 23 O 0.34855152289568 0.44915780341166 0.59246521112581 15.999 > 21 24 O 0.84855152289568 0.44915780341166 0.59246521112581 15.999 > 21 25 O 0.15144847710432 0.94915780341166 0.40753478887419 15.999 > 25 26 O 0.65144847710432 0.94915780341166 0.40753478887419 15.999 > 25 27 O 0.15144847710432 0.94915780341166 0.90753478887419 15.999 > 25 28 O 0.65144847710432 0.94915780341166 0.90753478887419 15.999 > 25 29 O 0.09855152289568 0.05084219658834 0.15753478887419 15.999 > 29 30 O 0.59855152289568 0.05084219658834 0.15753478887419 15.999 > 29 31 O 0.09855152289568 0.05084219658834 0.65753478887419 15.999 > 29 32 O 0.59855152289568 0.05084219658834 0.65753478887419 15.999 > 29 33 O 0.01496431053594 0.25000000000000 0.44730126878841 15.999 > 33 34 O 0.51496431053594 0.25000000000000 0.44730126878841 15.999 > 33 35 O 0.01496431053594 0.25000000000000 0.94730126878841 15.999 > 33 36 O 0.51496431053594 0.25000000000000 0.94730126878841 15.999 > 33 37 O 0.23503568946406 0.75000000000000 0.19730126878841 15.999 > 37 38 O 0.73503568946406 0.75000000000000 0.19730126878841 15.999 > 37 39 O 0.23503568946406 0.75000000000000 0.69730126878841 15.999 > 37 40 O 0.73503568946406 0.75000000000000 0.69730126878841 15.999 > 37 41 O 0.26496431053594 0.25000000000000 0.30269873121159 15.999 > 41 42 O 0.76496431053594 0.25000000000000 0.30269873121159 15.999 > 41 43 O 0.26496431053594 0.25000000000000 0.80269873121159 15.999 > 41 44 O 0.76496431053594 0.25000000000000 0.80269873121159 15.999 > 41 45 O 0.48503568946406 0.75000000000000 0.05269873121159 15.999 > 45 46 O 0.98503568946406 0.75000000000000 0.05269873121159 15.999 > 45 47 O 0.48503568946406 0.75000000000000 0.55269873121159 15.999 > 45 48 O 0.98503568946406 0.75000000000000 0.55269873121159 15.999 > 45 49 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 49 50 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 49 51 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 49 52 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 49 53 Rh 0.25000000000000 0.50000000000000 0.25000000000000 102.906 > 53 54 Rh 0.75000000000000 0.50000000000000 0.25000000000000 102.906 > 53 55 Rh 0.25000000000000 0.50000000000000 0.75000000000000 102.906 > 53 56 Rh 0.75000000000000 0.50000000000000 0.75000000000000 102.906 > 53 57 Rh 0.25000000000000 0.00000000000000 0.25000000000000 102.906 > 57 58 Rh 0.75000000000000 0.00000000000000 0.25000000000000 102.906 > 57 59 Rh 0.25000000000000 0.00000000000000 0.75000000000000 102.906 > 57 60 Rh 0.75000000000000 0.00000000000000 0.75000000000000 102.906 > 57 61 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 61 62 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 61 63 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 61 64 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 61 65 Pr 0.28847296412525 0.75000000000000 0.48707868278040 140.908 > 65 66 Pr 0.78847296412525 0.75000000000000 0.48707868278040 140.908 > 65 67 Pr 0.28847296412525 0.75000000000000 0.98707868278040 140.908 > 65 68 Pr 0.78847296412525 0.75000000000000 0.98707868278040 140.908 > 65 69 Pr 0.46152703587475 0.25000000000000 0.23707868278040 140.908 > 69 70 Pr 0.96152703587475 0.25000000000000 0.23707868278040 140.908 > 69 71 Pr 0.46152703587475 0.25000000000000 0.73707868278040 140.908 > 69 72 Pr 0.96152703587475 0.25000000000000 0.73707868278040 140.908 > 69 73 Pr 0.03847296412525 0.75000000000000 0.26292131721960 140.908 > 73 74 Pr 0.53847296412525 0.75000000000000 0.26292131721960 140.908 > 73 75 Pr 0.03847296412525 0.75000000000000 0.76292131721960 140.908 > 73 76 Pr 0.53847296412525 0.75000000000000 0.76292131721960 140.908 > 73 77 Pr 0.21152703587475 0.25000000000000 0.01292131721960 140.908 > 77 78 Pr 0.71152703587475 0.25000000000000 0.01292131721960 140.908 > 77 79 Pr 0.21152703587475 0.25000000000000 0.51292131721960 140.908 > 77 80 Pr 0.71152703587475 0.25000000000000 0.51292131721960 140.908 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 14.4964459 0.0000000 0.0000000 0.0000000 12.1868701 0.0000000 0.0000000 0.0000000 13.2376834 -------------------------- Born effective charges -------------------------- 1 O -2.3359824 0.0122855 -0.7622910 0.0533867 -1.4514936 -0.2608663 -0.9094858 -0.3591581 -1.9858959 2 O -2.3359824 0.0122855 0.7622910 0.0533867 -1.4514936 0.2608663 0.9094858 0.3591581 -1.9858959 3 O -2.3359824 -0.0122855 0.7622910 -0.0533867 -1.4514936 -0.2608663 0.9094858 -0.3591581 -1.9858959 4 O -2.3359824 -0.0122855 -0.7622910 -0.0533867 -1.4514936 0.2608663 -0.9094858 0.3591581 -1.9858959 5 O -2.3359824 0.0122855 -0.7622910 0.0533867 -1.4514936 -0.2608663 -0.9094858 -0.3591581 -1.9858959 6 O -2.3359824 0.0122855 0.7622910 0.0533867 -1.4514936 0.2608663 0.9094858 0.3591581 -1.9858959 7 O -2.3359824 -0.0122855 0.7622910 -0.0533867 -1.4514936 -0.2608663 0.9094858 -0.3591581 -1.9858959 8 O -2.3359824 -0.0122855 -0.7622910 -0.0533867 -1.4514936 0.2608663 -0.9094858 0.3591581 -1.9858959 9 O -1.2581709 0.0000000 -0.5658096 0.0000000 -3.0490623 0.0000000 -0.7388899 0.0000000 -1.3958987 10 O -1.2581709 0.0000000 0.5658096 0.0000000 -3.0490623 0.0000000 0.7388899 0.0000000 -1.3958987 11 O -1.2581709 0.0000000 0.5658096 0.0000000 -3.0490623 0.0000000 0.7388899 0.0000000 -1.3958987 12 O -1.2581709 0.0000000 -0.5658096 0.0000000 -3.0490623 0.0000000 -0.7388899 0.0000000 -1.3958987 13 Rh 1.6578253 -0.2429613 1.1028260 -0.6994511 1.7614233 0.9994422 -0.4213110 -1.0209985 0.8666839 14 Rh 1.6578253 -0.2429613 -1.1028260 -0.6994511 1.7614233 -0.9994422 0.4213110 1.0209985 0.8666839 15 Rh 1.6578253 0.2429613 -1.1028260 0.6994511 1.7614233 0.9994422 0.4213110 -1.0209985 0.8666839 16 Rh 1.6578253 0.2429613 1.1028260 0.6994511 1.7614233 -0.9994422 -0.4213110 1.0209985 0.8666839 17 Pr 4.2723104 0.0000000 -0.0022336 0.0000000 4.1906262 0.0000000 0.3326615 0.0000000 4.5010065 18 Pr 4.2723104 0.0000000 0.0022336 0.0000000 4.1906262 0.0000000 -0.3326615 0.0000000 4.5010065 19 Pr 4.2723104 0.0000000 0.0022336 0.0000000 4.1906262 0.0000000 -0.3326615 0.0000000 4.5010065 20 Pr 4.2723104 0.0000000 -0.0022336 0.0000000 4.1906262 0.0000000 0.3326615 0.0000000 4.5010065 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000008 (yyy) 0.00000008 (yyy) 0.00000008 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 9 ] 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: 0.67, Number of G-points: 303, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 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 2.562 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.976 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.511 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 5.103 ( 0.000 0.000 0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 7.209 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.605 ( 0.000 0.000 0.000) 0.000 7.655 ( 0.000 0.000 0.000) 0.000 7.661 ( 0.000 0.000 0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 0.000) 0.000 7.839 ( 0.000 0.000 0.000) 0.000 8.203 ( 0.000 0.000 0.000) 0.000 8.679 ( 0.000 0.000 0.000) 0.000 9.250 ( 0.000 0.000 0.000) 0.000 9.316 ( 0.000 0.000 0.000) 0.000 10.761 ( 0.000 0.000 0.000) 0.000 10.853 ( 0.000 0.000 0.000) 0.000 11.515 ( 0.000 0.000 0.000) 0.000 11.934 ( 0.000 0.000 0.000) 0.000 12.041 ( 0.000 0.000 0.000) 0.000 13.191 ( 0.000 0.000 0.000) 0.000 13.325 ( 0.000 0.000 0.000) 0.000 13.395 ( 0.000 0.000 0.000) 0.000 14.272 ( 0.000 0.000 0.000) 0.000 14.388 ( 0.000 0.000 0.000) 0.000 14.460 ( 0.000 0.000 0.000) 0.000 14.580 ( 0.000 0.000 0.000) 0.000 14.818 ( 0.000 0.000 0.000) 0.000 15.247 ( 0.000 0.000 0.000) 0.000 15.309 ( 0.000 0.000 0.000) 0.000 15.416 ( 0.000 0.000 0.000) 0.000 15.927 ( 0.000 0.000 0.000) 0.000 16.195 ( 0.000 0.000 0.000) 0.000 16.239 ( 0.000 0.000 0.000) 0.000 16.268 ( 0.000 0.000 0.000) 0.000 16.272 ( 0.000 0.000 0.000) 0.000 16.330 ( 0.000 0.000 0.000) 0.000 16.803 ( 0.000 0.000 0.000) 0.000 17.138 ( 0.000 0.000 0.000) 0.000 17.210 ( 0.000 0.000 0.000) 0.000 17.884 ( 0.000 0.000 0.000) 0.000 17.933 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 29.181 0.000 0.000) 29.181 0.697 ( 35.740 0.000 0.000) 35.740 1.098 ( 56.230 0.000 0.000) 56.230 2.606 ( 4.105 0.000 0.000) 4.105 2.920 ( -4.289 0.000 0.000) 4.289 3.085 ( 4.291 0.000 0.000) 4.291 3.574 ( 0.541 0.000 0.000) 0.541 3.983 ( 0.013 0.000 0.000) 0.013 4.140 ( 7.099 0.000 0.000) 7.099 4.207 ( -1.005 0.000 0.000) 1.005 4.310 ( -11.518 0.000 0.000) 11.518 4.380 ( -3.992 0.000 0.000) 3.992 4.569 ( 6.219 0.000 0.000) 6.219 4.685 ( -2.452 0.000 0.000) 2.452 4.755 ( -5.723 0.000 0.000) 5.723 4.925 ( 19.483 0.000 0.000) 19.483 4.999 ( -10.089 0.000 0.000) 10.089 5.209 ( -5.097 0.000 0.000) 5.097 6.637 ( 4.609 0.000 0.000) 4.609 7.157 ( -8.291 0.000 0.000) 8.291 7.168 ( -11.987 0.000 0.000) 11.987 7.177 ( -2.960 0.000 0.000) 2.960 7.301 ( -8.059 0.000 0.000) 8.059 7.488 ( -5.957 0.000 0.000) 5.957 7.636 ( -8.776 0.000 0.000) 8.776 7.640 ( -1.511 0.000 0.000) 1.511 7.753 ( -0.856 0.000 0.000) 0.856 7.852 ( 11.921 0.000 0.000) 11.921 8.016 ( 10.139 0.000 0.000) 10.139 8.085 ( -10.941 0.000 0.000) 10.941 8.771 ( 7.879 0.000 0.000) 7.879 9.115 ( -6.689 0.000 0.000) 6.689 9.552 ( 10.307 0.000 0.000) 10.307 10.724 ( -3.939 0.000 0.000) 3.939 11.133 ( -4.980 0.000 0.000) 4.980 11.515 ( -0.124 0.000 0.000) 0.124 12.055 ( 1.773 0.000 0.000) 1.773 12.210 ( 24.018 0.000 0.000) 24.018 13.222 ( 3.176 0.000 0.000) 3.176 13.320 ( -0.398 0.000 0.000) 0.398 13.429 ( 3.502 0.000 0.000) 3.502 14.272 ( -0.172 0.000 0.000) 0.172 14.286 ( -10.489 0.000 0.000) 10.489 14.587 ( 0.324 0.000 0.000) 0.324 14.754 ( -4.125 0.000 0.000) 4.125 14.849 ( 3.120 0.000 0.000) 3.120 15.233 ( -7.601 0.000 0.000) 7.601 15.305 ( 0.548 0.000 0.000) 0.548 15.427 ( 1.146 0.000 0.000) 1.146 15.900 ( -2.768 0.000 0.000) 2.768 16.134 ( -6.364 0.000 0.000) 6.364 16.180 ( -1.434 0.000 0.000) 1.434 16.263 ( -0.517 0.000 0.000) 0.517 16.315 ( -1.618 0.000 0.000) 1.618 16.362 ( 5.068 0.000 0.000) 5.068 17.139 ( 0.088 0.000 0.000) 0.088 17.205 ( -0.555 0.000 0.000) 0.555 17.536 ( -5.314 0.000 0.000) 5.314 17.887 ( 0.304 0.000 0.000) 0.304 17.926 ( -0.646 0.000 0.000) 0.646 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 29.873 0.000 0.000) 29.873 1.349 ( 32.405 0.000 0.000) 32.405 2.098 ( 46.174 0.000 0.000) 46.174 2.693 ( 4.294 0.000 0.000) 4.294 2.867 ( 1.223 0.000 0.000) 1.223 3.200 ( 7.490 0.000 0.000) 7.490 3.551 ( -3.430 0.000 0.000) 3.430 3.942 ( -4.884 0.000 0.000) 4.884 4.065 ( -7.544 0.000 0.000) 7.544 4.102 ( -10.182 0.000 0.000) 10.182 4.275 ( -6.767 0.000 0.000) 6.767 4.436 ( 12.816 0.000 0.000) 12.816 4.601 ( -6.094 0.000 0.000) 6.094 4.626 ( -2.625 0.000 0.000) 2.625 4.629 ( -10.268 0.000 0.000) 10.268 4.886 ( 9.610 0.000 0.000) 9.610 5.105 ( -4.318 0.000 0.000) 4.318 5.358 ( 24.984 0.000 0.000) 24.984 6.731 ( 3.097 0.000 0.000) 3.097 6.892 ( -16.435 0.000 0.000) 16.435 6.929 ( -15.544 0.000 0.000) 15.544 7.100 ( -11.080 0.000 0.000) 11.080 7.114 ( -3.197 0.000 0.000) 3.197 7.372 ( -6.315 0.000 0.000) 6.315 7.466 ( -9.539 0.000 0.000) 9.539 7.604 ( -1.842 0.000 0.000) 1.842 7.710 ( -6.239 0.000 0.000) 6.239 7.852 ( -10.178 0.000 0.000) 10.178 8.070 ( 10.477 0.000 0.000) 10.477 8.193 ( 8.149 0.000 0.000) 8.149 8.927 ( 7.780 0.000 0.000) 7.780 9.047 ( -0.691 0.000 0.000) 0.691 9.713 ( 6.851 0.000 0.000) 6.851 10.613 ( -7.589 0.000 0.000) 7.589 11.127 ( 4.280 0.000 0.000) 4.280 11.509 ( -0.518 0.000 0.000) 0.518 12.128 ( 6.369 0.000 0.000) 6.369 12.726 ( 28.452 0.000 0.000) 28.452 13.303 ( 5.002 0.000 0.000) 5.002 13.321 ( 0.961 0.000 0.000) 0.961 13.523 ( 5.908 0.000 0.000) 5.908 14.004 ( -18.358 0.000 0.000) 18.358 14.255 ( -1.951 0.000 0.000) 1.951 14.574 ( -2.105 0.000 0.000) 2.105 14.646 ( -6.924 0.000 0.000) 6.924 14.876 ( -5.665 0.000 0.000) 5.665 15.089 ( -2.011 0.000 0.000) 2.011 15.321 ( 1.044 0.000 0.000) 1.044 15.459 ( 2.176 0.000 0.000) 2.176 15.828 ( -4.562 0.000 0.000) 4.562 16.021 ( -5.105 0.000 0.000) 5.105 16.148 ( -1.743 0.000 0.000) 1.743 16.246 ( -1.316 0.000 0.000) 1.316 16.265 ( -3.599 0.000 0.000) 3.599 16.460 ( 5.421 0.000 0.000) 5.421 17.141 ( 0.160 0.000 0.000) 0.160 17.191 ( -0.845 0.000 0.000) 0.845 17.392 ( -9.545 0.000 0.000) 9.545 17.894 ( 0.373 0.000 0.000) 0.373 17.912 ( -0.784 0.000 0.000) 0.784 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 29.563 0.000 0.000) 29.563 1.924 ( 27.594 0.000 0.000) 27.594 2.625 ( 8.155 0.000 0.000) 8.155 2.737 ( -0.835 0.000 0.000) 0.835 3.162 ( 28.242 0.000 0.000) 28.242 3.351 ( 7.212 0.000 0.000) 7.212 3.443 ( -6.808 0.000 0.000) 6.808 3.802 ( -8.789 0.000 0.000) 8.789 3.907 ( -8.445 0.000 0.000) 8.445 3.927 ( -8.029 0.000 0.000) 8.029 4.130 ( -8.280 0.000 0.000) 8.280 4.332 ( -16.199 0.000 0.000) 16.199 4.365 ( -8.073 0.000 0.000) 8.073 4.464 ( -7.801 0.000 0.000) 7.801 4.957 ( 25.752 0.000 0.000) 25.752 5.119 ( 7.901 0.000 0.000) 7.901 5.238 ( 22.922 0.000 0.000) 22.922 5.832 ( 22.330 0.000 0.000) 22.330 6.555 ( -23.976 0.000 0.000) 23.976 6.562 ( -16.554 0.000 0.000) 16.554 6.596 ( -17.409 0.000 0.000) 17.409 7.030 ( 3.736 0.000 0.000) 3.736 7.062 ( -2.864 0.000 0.000) 2.864 7.256 ( -5.648 0.000 0.000) 5.648 7.259 ( -11.903 0.000 0.000) 11.903 7.481 ( -13.441 0.000 0.000) 13.441 7.589 ( 0.625 0.000 0.000) 0.625 7.764 ( -2.502 0.000 0.000) 2.502 8.241 ( 7.341 0.000 0.000) 7.341 8.318 ( 4.755 0.000 0.000) 4.755 9.050 ( 4.877 0.000 0.000) 4.877 9.068 ( 2.189 0.000 0.000) 2.189 9.843 ( 7.544 0.000 0.000) 7.544 10.439 ( -10.426 0.000 0.000) 10.426 11.253 ( 7.614 0.000 0.000) 7.614 11.493 ( -1.247 0.000 0.000) 1.247 12.315 ( 13.494 0.000 0.000) 13.494 13.237 ( 21.256 0.000 0.000) 21.256 13.388 ( 9.498 0.000 0.000) 9.498 13.398 ( 4.448 0.000 0.000) 4.448 13.513 ( -17.534 0.000 0.000) 17.534 13.744 ( 2.328 0.000 0.000) 2.328 14.189 ( -5.110 0.000 0.000) 5.110 14.501 ( -5.627 0.000 0.000) 5.627 14.508 ( -6.896 0.000 0.000) 6.896 14.608 ( -17.988 0.000 0.000) 17.988 15.181 ( 7.376 0.000 0.000) 7.376 15.341 ( 0.903 0.000 0.000) 0.903 15.508 ( 2.869 0.000 0.000) 2.869 15.734 ( -5.025 0.000 0.000) 5.025 15.953 ( -1.679 0.000 0.000) 1.679 16.124 ( -0.513 0.000 0.000) 0.513 16.177 ( -5.559 0.000 0.000) 5.559 16.213 ( -2.122 0.000 0.000) 2.122 16.580 ( 7.375 0.000 0.000) 7.375 17.145 ( 0.242 0.000 0.000) 0.242 17.174 ( -0.820 0.000 0.000) 0.820 17.185 ( -11.836 0.000 0.000) 11.836 17.900 ( 0.150 0.000 0.000) 0.150 17.900 ( -0.390 0.000 0.000) 0.390 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 25.476 0.000 0.000) 25.476 2.387 ( 20.243 0.000 0.000) 20.243 2.607 ( -13.895 0.000 0.000) 13.895 2.646 ( -5.744 0.000 0.000) 5.744 3.314 ( -1.158 0.000 0.000) 1.158 3.386 ( -4.951 0.000 0.000) 4.951 3.641 ( 15.255 0.000 0.000) 15.255 3.713 ( 1.559 0.000 0.000) 1.559 3.786 ( -2.950 0.000 0.000) 2.950 3.805 ( -4.324 0.000 0.000) 4.324 3.981 ( -5.296 0.000 0.000) 5.296 4.062 ( -11.667 0.000 0.000) 11.667 4.276 ( -0.783 0.000 0.000) 0.783 4.328 ( -5.667 0.000 0.000) 5.667 5.448 ( 25.663 0.000 0.000) 25.663 5.467 ( 26.687 0.000 0.000) 26.687 5.699 ( 23.667 0.000 0.000) 23.667 5.919 ( -17.298 0.000 0.000) 17.298 6.029 ( -29.070 0.000 0.000) 29.070 6.189 ( -23.653 0.000 0.000) 23.653 6.527 ( 16.589 0.000 0.000) 16.589 6.887 ( -17.056 0.000 0.000) 17.056 7.126 ( -0.364 0.000 0.000) 0.364 7.131 ( 6.011 0.000 0.000) 6.011 7.165 ( -3.676 0.000 0.000) 3.676 7.267 ( -8.840 0.000 0.000) 8.840 7.632 ( 3.578 0.000 0.000) 3.578 7.706 ( -3.704 0.000 0.000) 3.704 8.345 ( 3.441 0.000 0.000) 3.441 8.371 ( 0.723 0.000 0.000) 0.723 9.107 ( 1.452 0.000 0.000) 1.452 9.110 ( 1.384 0.000 0.000) 1.384 10.014 ( 10.332 0.000 0.000) 10.332 10.226 ( -11.568 0.000 0.000) 11.568 11.381 ( 5.380 0.000 0.000) 5.380 11.457 ( -2.704 0.000 0.000) 2.704 12.641 ( 20.439 0.000 0.000) 20.439 13.074 ( -24.256 0.000 0.000) 24.256 13.410 ( 4.372 0.000 0.000) 4.372 13.451 ( 0.483 0.000 0.000) 0.483 13.785 ( 23.757 0.000 0.000) 23.757 13.892 ( 9.279 0.000 0.000) 9.279 14.061 ( -8.096 0.000 0.000) 8.096 14.215 ( -21.215 0.000 0.000) 21.215 14.409 ( -2.816 0.000 0.000) 2.816 14.418 ( -3.680 0.000 0.000) 3.680 15.301 ( 4.432 0.000 0.000) 4.432 15.346 ( -0.682 0.000 0.000) 0.682 15.568 ( 3.504 0.000 0.000) 3.504 15.643 ( -4.406 0.000 0.000) 4.406 15.967 ( 3.239 0.000 0.000) 3.239 16.062 ( -6.086 0.000 0.000) 6.086 16.132 ( 1.321 0.000 0.000) 1.321 16.169 ( -2.316 0.000 0.000) 2.316 16.745 ( 9.984 0.000 0.000) 9.984 16.956 ( -11.844 0.000 0.000) 11.844 17.151 ( 0.390 0.000 0.000) 0.390 17.161 ( -0.613 0.000 0.000) 0.613 17.897 ( 0.055 0.000 0.000) 0.055 17.900 ( -0.117 0.000 0.000) 0.117 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 21.286 0.000) 21.286 0.718 ( 0.000 33.004 0.000) 33.004 1.410 ( 0.000 63.434 0.000) 63.434 2.374 ( 0.000 -16.316 0.000) 16.316 2.859 ( 0.000 -10.344 0.000) 10.344 3.126 ( 0.000 7.659 0.000) 7.659 3.505 ( 0.000 1.086 0.000) 1.086 4.034 ( 0.000 4.979 0.000) 4.979 4.103 ( 0.000 4.553 0.000) 4.553 4.165 ( 0.000 -6.830 0.000) 6.830 4.169 ( 0.000 -14.873 0.000) 14.873 4.508 ( 0.000 -0.390 0.000) 0.390 4.528 ( 0.000 -8.889 0.000) 8.889 4.650 ( 0.000 6.247 0.000) 6.247 4.925 ( 0.000 0.562 0.000) 0.562 4.940 ( 0.000 -0.451 0.000) 0.451 5.191 ( 0.000 17.009 0.000) 17.009 5.321 ( 0.000 5.449 0.000) 5.449 6.443 ( 0.000 -11.254 0.000) 11.254 7.172 ( 0.000 -6.394 0.000) 6.394 7.182 ( 0.000 -2.261 0.000) 2.261 7.280 ( 0.000 -3.046 0.000) 3.046 7.296 ( 0.000 -2.404 0.000) 2.404 7.473 ( 0.000 -12.153 0.000) 12.153 7.617 ( 0.000 0.910 0.000) 0.910 7.662 ( 0.000 0.245 0.000) 0.245 7.798 ( 0.000 -2.995 0.000) 2.995 7.986 ( 0.000 -1.538 0.000) 1.538 8.278 ( 0.000 11.599 0.000) 11.599 8.528 ( 0.000 4.324 0.000) 4.324 8.742 ( 0.000 4.658 0.000) 4.658 9.265 ( 0.000 -4.764 0.000) 4.764 9.464 ( 0.000 17.589 0.000) 17.589 10.792 ( 0.000 -5.695 0.000) 5.695 10.872 ( 0.000 9.497 0.000) 9.497 11.497 ( 0.000 -1.693 0.000) 1.693 11.972 ( 0.000 3.158 0.000) 3.158 12.052 ( 0.000 0.891 0.000) 0.891 13.241 ( 0.000 4.708 0.000) 4.708 13.401 ( 0.000 7.321 0.000) 7.321 13.425 ( 0.000 2.623 0.000) 2.623 14.310 ( 0.000 2.794 0.000) 2.794 14.310 ( 0.000 -5.333 0.000) 5.333 14.436 ( 0.000 -2.369 0.000) 2.369 14.665 ( 0.000 6.180 0.000) 6.180 14.752 ( 0.000 -6.442 0.000) 6.442 15.119 ( 0.000 -11.552 0.000) 11.552 15.242 ( 0.000 -5.685 0.000) 5.685 15.451 ( 0.000 3.300 0.000) 3.300 15.973 ( 0.000 3.166 0.000) 3.166 16.150 ( 0.000 -6.401 0.000) 6.401 16.211 ( 0.000 -0.053 0.000) 0.053 16.265 ( 0.000 -0.593 0.000) 0.593 16.266 ( 0.000 -0.187 0.000) 0.187 16.331 ( 0.000 0.153 0.000) 0.153 16.716 ( 0.000 -7.351 0.000) 7.351 17.191 ( 0.000 4.821 0.000) 4.821 17.838 ( 0.000 -4.267 0.000) 4.267 17.993 ( 0.000 4.978 0.000) 4.978 18.371 ( 0.000 -1.607 0.000) 1.607 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 29.924 11.432 0.000) 32.033 1.016 ( 21.529 25.436 0.000) 33.324 1.707 ( 30.700 49.212 0.000) 58.002 2.444 ( 6.827 -14.565 0.000) 16.086 2.818 ( -2.838 -8.713 0.000) 9.164 3.141 ( 1.547 5.929 0.000) 6.127 3.546 ( 1.638 -1.106 0.000) 1.976 4.040 ( -0.416 5.169 0.000) 5.186 4.105 ( -4.152 -6.154 0.000) 7.423 4.118 ( -4.639 -13.209 0.000) 14.000 4.220 ( 10.141 3.446 0.000) 10.710 4.392 ( -8.601 -1.185 0.000) 8.682 4.556 ( 5.184 -0.990 0.000) 5.278 4.836 ( -8.573 -0.857 0.000) 8.616 4.880 ( 17.558 -1.928 0.000) 17.663 5.009 ( 4.941 5.141 0.000) 7.131 5.138 ( -14.257 6.169 0.000) 15.535 5.140 ( -5.118 19.798 0.000) 20.449 6.498 ( 5.191 -11.609 0.000) 12.717 7.099 ( -7.350 -5.615 0.000) 9.250 7.152 ( -2.825 -2.213 0.000) 3.588 7.154 ( -11.287 -1.494 0.000) 11.385 7.212 ( -8.655 -3.493 0.000) 9.334 7.473 ( -0.472 -9.989 0.000) 10.000 7.553 ( -9.141 1.202 0.000) 9.219 7.636 ( 0.168 -0.559 0.000) 0.584 7.724 ( -5.988 -2.386 0.000) 6.446 7.947 ( -6.671 -7.271 0.000) 9.868 8.248 ( -7.698 21.541 0.000) 22.875 8.293 ( 3.078 15.118 0.000) 15.428 8.814 ( 6.498 3.302 0.000) 7.289 9.168 ( -7.689 0.943 0.000) 7.747 9.618 ( 12.134 10.028 0.000) 15.741 10.835 ( -3.783 9.660 0.000) 10.374 10.963 ( 6.074 -11.153 0.000) 12.700 11.495 ( -0.331 -1.881 0.000) 1.910 12.064 ( 2.643 0.815 0.000) 2.766 12.190 ( 20.403 -0.463 0.000) 20.408 13.264 ( 2.411 3.997 0.000) 4.668 13.398 ( -0.084 7.612 0.000) 7.612 13.462 ( 3.750 2.867 0.000) 4.720 14.248 ( -7.219 -3.035 0.000) 7.831 14.306 ( -0.113 2.931 0.000) 2.933 14.563 ( 4.777 -9.858 0.000) 10.954 14.631 ( -2.939 3.503 0.000) 4.572 14.792 ( 3.991 -5.479 0.000) 6.778 15.147 ( 2.201 -12.369 0.000) 12.563 15.163 ( -8.052 -5.891 0.000) 9.976 15.461 ( 1.008 3.159 0.000) 3.316 15.940 ( -3.071 3.445 0.000) 4.615 16.078 ( -5.715 -5.149 0.000) 7.692 16.190 ( -1.411 0.748 0.000) 1.597 16.259 ( -0.870 -0.461 0.000) 0.985 16.317 ( -1.275 0.398 0.000) 1.336 16.330 ( 4.486 -2.531 0.000) 5.151 16.826 ( 7.449 -14.015 0.000) 15.871 17.193 ( 0.161 4.873 0.000) 4.875 17.841 ( 0.315 -4.261 0.000) 4.273 17.929 ( -10.054 7.659 0.000) 12.639 18.075 ( -14.320 11.301 0.000) 18.242 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 21.348 21.053 0.000) 29.983 1.417 ( 30.405 6.263 0.000) 31.044 2.414 ( 36.249 27.754 0.000) 45.654 2.601 ( 8.616 -9.677 0.000) 12.957 2.804 ( 4.125 -5.452 0.000) 6.836 3.188 ( 3.494 1.220 0.000) 3.701 3.525 ( -4.017 -2.131 0.000) 4.547 3.963 ( -8.902 -0.980 0.000) 8.955 3.997 ( -5.811 -2.341 0.000) 6.265 4.016 ( -5.483 -9.464 0.000) 10.937 4.222 ( -9.227 -0.309 0.000) 9.232 4.482 ( 2.672 1.462 0.000) 3.046 4.552 ( 3.203 -0.390 0.000) 3.226 4.823 ( 12.211 0.959 0.000) 12.249 4.850 ( -13.427 12.247 0.000) 18.173 5.019 ( -5.897 22.672 0.000) 23.427 5.088 ( 4.032 4.118 0.000) 5.763 5.303 ( 24.239 -5.069 0.000) 24.764 6.608 ( 4.596 -10.533 0.000) 11.492 6.891 ( -15.576 -0.555 0.000) 15.586 6.902 ( -13.270 -2.917 0.000) 13.587 7.000 ( -12.318 -6.203 0.000) 13.792 7.094 ( -2.910 -1.643 0.000) 3.342 7.388 ( -7.508 0.670 0.000) 7.537 7.420 ( -6.067 -4.053 0.000) 7.296 7.602 ( -7.701 -6.373 0.000) 9.996 7.605 ( -2.949 -1.097 0.000) 3.146 7.749 ( -10.874 -9.163 0.000) 14.219 8.263 ( 5.490 15.010 0.000) 15.983 8.386 ( 5.498 13.839 0.000) 14.891 8.949 ( 6.943 1.588 0.000) 7.123 9.076 ( -1.779 1.051 0.000) 2.066 9.816 ( 8.529 10.443 0.000) 13.483 10.729 ( -7.334 10.090 0.000) 12.474 11.055 ( 5.831 -6.474 0.000) 8.712 11.483 ( -0.924 -2.435 0.000) 2.605 12.151 ( 7.232 2.159 0.000) 7.547 12.656 ( 26.176 -5.878 0.000) 26.828 13.329 ( 4.281 2.651 0.000) 5.035 13.407 ( 1.317 8.190 0.000) 8.295 13.554 ( 5.158 2.507 0.000) 5.735 14.022 ( -15.756 1.828 0.000) 15.862 14.295 ( -1.276 3.466 0.000) 3.693 14.559 ( -3.846 -6.831 0.000) 7.839 14.569 ( -3.621 -0.360 0.000) 3.639 14.852 ( -4.389 -2.230 0.000) 4.923 14.992 ( -3.019 -8.630 0.000) 9.143 15.186 ( 1.906 -11.694 0.000) 11.848 15.488 ( 1.861 2.693 0.000) 3.273 15.865 ( -4.606 3.427 0.000) 5.741 15.971 ( -4.978 -4.429 0.000) 6.664 16.162 ( -1.323 1.259 0.000) 1.826 16.225 ( -2.991 -1.537 0.000) 3.363 16.287 ( -1.802 1.568 0.000) 2.389 16.419 ( 5.035 -3.420 0.000) 6.087 16.920 ( 2.270 -14.600 0.000) 14.776 17.198 ( 0.362 5.061 0.000) 5.074 17.652 ( -13.975 12.852 0.000) 18.986 17.849 ( 0.447 -4.202 0.000) 4.226 17.959 ( -3.323 3.383 0.000) 4.742 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 22.837 12.318 0.000) 25.947 1.959 ( 25.843 3.397 0.000) 26.066 2.733 ( 4.113 -2.304 0.000) 4.714 2.737 ( 5.032 7.273 0.000) 8.844 3.181 ( 23.742 2.150 0.000) 23.839 3.272 ( 5.007 -5.152 0.000) 7.184 3.400 ( -8.254 -3.290 0.000) 8.885 3.733 ( -14.524 -4.712 0.000) 15.269 3.877 ( -6.118 -0.794 0.000) 6.169 3.930 ( -3.173 -1.019 0.000) 3.333 4.055 ( -7.556 -2.107 0.000) 7.845 4.217 ( -14.426 -2.226 0.000) 14.597 4.650 ( -6.263 12.961 0.000) 14.395 4.819 ( -4.813 27.767 0.000) 28.181 4.978 ( 23.406 2.586 0.000) 23.549 5.201 ( 9.782 8.841 0.000) 13.185 5.226 ( 22.353 -0.610 0.000) 22.361 5.783 ( 23.938 -4.802 0.000) 24.415 6.495 ( -16.504 -4.602 0.000) 17.134 6.576 ( -21.561 1.617 0.000) 21.621 6.590 ( -17.253 -1.298 0.000) 17.302 6.890 ( 3.032 -11.439 0.000) 11.834 7.037 ( -4.040 -2.171 0.000) 4.586 7.240 ( -11.376 -1.503 0.000) 11.475 7.272 ( -4.704 0.555 0.000) 4.737 7.382 ( -12.671 -7.944 0.000) 14.955 7.552 ( -1.871 -3.183 0.000) 3.692 7.637 ( -2.694 -10.556 0.000) 10.894 8.382 ( 6.029 11.484 0.000) 12.971 8.475 ( 3.435 12.031 0.000) 12.511 9.061 ( 4.513 0.617 0.000) 4.555 9.082 ( 1.658 0.378 0.000) 1.701 9.968 ( 8.177 11.623 0.000) 14.211 10.560 ( -10.133 10.673 0.000) 14.717 11.191 ( 7.647 -5.794 0.000) 9.594 11.457 ( -1.851 -3.343 0.000) 3.822 12.354 ( 14.245 3.650 0.000) 14.705 13.139 ( 23.497 -8.883 0.000) 25.120 13.412 ( 2.789 1.505 0.000) 3.169 13.459 ( 4.285 7.249 0.000) 8.421 13.536 ( -13.040 1.806 0.000) 13.164 13.785 ( -1.651 3.824 0.000) 4.166 14.254 ( -2.797 5.367 0.000) 6.052 14.458 ( -5.871 -4.393 0.000) 7.333 14.483 ( -5.419 -1.955 0.000) 5.760 14.585 ( -17.245 -1.731 0.000) 17.331 15.092 ( 7.292 -8.018 0.000) 10.838 15.219 ( 1.486 -10.782 0.000) 10.884 15.532 ( 2.681 2.157 0.000) 3.441 15.770 ( -5.234 3.227 0.000) 6.149 15.905 ( -1.521 -4.040 0.000) 4.317 16.142 ( -5.504 -2.391 0.000) 6.001 16.148 ( 0.042 2.105 0.000) 2.105 16.250 ( -2.136 2.611 0.000) 3.373 16.529 ( 6.575 -4.339 0.000) 7.877 16.915 ( -2.752 -12.544 0.000) 12.842 17.208 ( 0.764 5.521 0.000) 5.574 17.426 ( -9.614 10.979 0.000) 14.593 17.857 ( 0.387 -3.963 0.000) 3.981 17.906 ( -2.144 0.181 0.000) 2.152 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 18.421 3.341 0.000) 18.721 2.356 ( 12.321 -0.720 0.000) 12.342 2.731 ( -2.536 8.102 0.000) 8.490 2.779 ( -2.587 10.664 0.000) 10.973 3.285 ( 0.425 -6.508 0.000) 6.522 3.361 ( 3.719 -8.232 0.000) 9.033 3.410 ( 1.464 -11.160 0.000) 11.255 3.450 ( -13.375 -8.924 0.000) 16.079 3.813 ( 0.516 0.098 0.000) 0.525 3.873 ( -3.975 2.364 0.000) 4.625 3.967 ( -0.996 -0.259 0.000) 1.029 4.016 ( -6.322 -1.123 0.000) 6.421 4.628 ( 2.831 23.975 0.000) 24.141 4.708 ( -5.177 30.008 0.000) 30.451 5.472 ( 26.029 0.579 0.000) 26.036 5.526 ( 24.285 7.119 0.000) 25.306 5.684 ( 24.501 -1.396 0.000) 24.541 5.926 ( -16.270 0.656 0.000) 16.283 6.083 ( -28.715 4.907 0.000) 29.131 6.151 ( -22.171 -3.205 0.000) 22.402 6.465 ( 15.821 -5.572 0.000) 16.773 6.834 ( -17.751 -4.750 0.000) 18.375 6.984 ( 5.394 -10.826 0.000) 12.095 7.086 ( -5.225 -5.147 0.000) 7.335 7.205 ( -2.256 0.710 0.000) 2.366 7.209 ( -4.145 -3.866 0.000) 5.669 7.549 ( 1.411 -6.492 0.000) 6.643 7.590 ( -2.499 -9.213 0.000) 9.546 8.475 ( 3.474 10.578 0.000) 11.134 8.508 ( 0.018 10.936 0.000) 10.936 9.115 ( 1.289 0.116 0.000) 1.294 9.117 ( 1.312 0.193 0.000) 1.326 10.144 ( 10.298 11.757 0.000) 15.629 10.353 ( -11.307 11.294 0.000) 15.981 11.322 ( 5.781 -5.508 0.000) 7.984 11.409 ( -3.398 -4.514 0.000) 5.650 12.688 ( 20.423 4.328 0.000) 20.877 13.112 ( -23.176 3.444 0.000) 23.430 13.468 ( 7.303 4.154 0.000) 8.402 13.502 ( 1.807 4.567 0.000) 4.912 13.612 ( 13.709 -10.432 0.000) 17.226 13.800 ( -2.593 -6.747 0.000) 7.228 14.210 ( -0.900 9.651 0.000) 9.693 14.290 ( -11.128 5.000 0.000) 12.200 14.367 ( -2.705 -3.918 0.000) 4.761 14.383 ( -4.124 -2.626 0.000) 4.889 15.202 ( 3.773 -8.838 0.000) 9.610 15.236 ( -0.070 -9.887 0.000) 9.887 15.592 ( 3.683 2.139 0.000) 4.259 15.673 ( -4.772 2.680 0.000) 5.473 15.925 ( 3.586 -3.476 0.000) 4.994 16.025 ( -6.317 -2.892 0.000) 6.947 16.166 ( 1.668 2.818 0.000) 3.275 16.206 ( -2.374 3.001 0.000) 3.827 16.669 ( 8.001 -6.154 0.000) 10.094 16.819 ( -7.052 -9.361 0.000) 11.720 17.231 ( 1.853 6.610 0.000) 6.865 17.290 ( -4.765 8.765 0.000) 9.977 17.864 ( 0.439 -3.334 0.000) 3.363 17.877 ( -1.021 -2.036 0.000) 2.277 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 0.000 22.635 0.000) 22.635 1.404 ( 0.000 30.779 0.000) 30.779 1.934 ( 0.000 -23.254 0.000) 23.254 2.524 ( 0.000 -16.626 0.000) 16.626 2.677 ( 0.000 49.587 0.000) 49.587 3.354 ( 0.000 12.949 0.000) 12.949 3.547 ( 0.000 3.084 0.000) 3.084 3.865 ( 0.000 -12.451 0.000) 12.451 3.943 ( 0.000 -12.052 0.000) 12.052 4.191 ( 0.000 7.008 0.000) 7.008 4.206 ( 0.000 4.518 0.000) 4.518 4.227 ( 0.000 -19.859 0.000) 19.859 4.502 ( 0.000 0.516 0.000) 0.516 4.765 ( 0.000 4.781 0.000) 4.781 4.795 ( 0.000 -9.333 0.000) 9.333 4.916 ( 0.000 -1.876 0.000) 1.876 5.481 ( 0.000 9.612 0.000) 9.612 5.784 ( 0.000 32.860 0.000) 32.860 6.118 ( 0.000 -17.794 0.000) 17.794 6.949 ( 0.000 -15.326 0.000) 15.326 7.131 ( 0.000 -1.882 0.000) 1.882 7.221 ( 0.000 -1.928 0.000) 1.928 7.240 ( 0.000 -2.417 0.000) 2.417 7.250 ( 0.000 -8.780 0.000) 8.780 7.637 ( 0.000 0.866 0.000) 0.866 7.660 ( 0.000 -0.323 0.000) 0.323 7.747 ( 0.000 -1.318 0.000) 1.318 7.854 ( 0.000 -6.926 0.000) 6.926 8.573 ( 0.000 12.823 0.000) 12.823 8.684 ( 0.000 9.600 0.000) 9.600 8.820 ( 0.000 1.517 0.000) 1.517 9.119 ( 0.000 -8.629 0.000) 8.629 9.896 ( 0.000 20.822 0.000) 20.822 10.609 ( 0.000 -11.351 0.000) 11.351 11.113 ( 0.000 11.523 0.000) 11.523 11.440 ( 0.000 -3.831 0.000) 3.831 12.044 ( 0.000 2.873 0.000) 2.873 12.073 ( 0.000 0.917 0.000) 0.917 13.386 ( 0.000 8.101 0.000) 8.101 13.493 ( 0.000 3.150 0.000) 3.150 13.651 ( 0.000 15.974 0.000) 15.974 14.214 ( 0.000 -2.375 0.000) 2.375 14.338 ( 0.000 -7.937 0.000) 7.937 14.392 ( 0.000 4.847 0.000) 4.847 14.537 ( 0.000 -12.938 0.000) 12.938 14.798 ( 0.000 -16.311 0.000) 16.311 14.810 ( 0.000 6.985 0.000) 6.985 15.101 ( 0.000 -6.815 0.000) 6.815 15.559 ( 0.000 6.803 0.000) 6.803 15.961 ( 0.000 -10.315 0.000) 10.315 16.070 ( 0.000 5.696 0.000) 5.696 16.220 ( 0.000 0.587 0.000) 0.587 16.250 ( 0.000 -0.767 0.000) 0.767 16.254 ( 0.000 -1.188 0.000) 1.188 16.340 ( 0.000 0.818 0.000) 0.818 16.532 ( 0.000 -8.765 0.000) 8.765 17.334 ( 0.000 8.133 0.000) 8.133 17.707 ( 0.000 -7.654 0.000) 7.654 18.116 ( 0.000 5.919 0.000) 5.919 18.319 ( 0.000 -3.234 0.000) 3.234 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 21.171 17.875 0.000) 27.708 1.566 ( 14.481 25.865 0.000) 29.643 2.041 ( 10.529 -21.445 0.000) 23.890 2.540 ( 1.786 -16.716 0.000) 16.811 2.801 ( 13.102 47.622 0.000) 49.391 3.337 ( -1.669 11.741 0.000) 11.859 3.550 ( -0.668 1.888 0.000) 2.003 3.832 ( -2.519 -11.994 0.000) 12.256 3.898 ( -4.581 -12.001 0.000) 12.845 4.198 ( -0.543 8.455 0.000) 8.472 4.246 ( 0.496 -13.992 0.000) 14.001 4.310 ( 10.222 4.112 0.000) 11.018 4.527 ( 3.458 -1.413 0.000) 3.736 4.719 ( -6.924 -7.997 0.000) 10.578 4.837 ( 8.188 -0.421 0.000) 8.199 4.943 ( 1.576 -3.877 0.000) 4.185 5.438 ( -2.939 14.828 0.000) 15.116 5.752 ( -3.251 33.040 0.000) 33.199 6.169 ( 5.054 -18.119 0.000) 18.811 6.894 ( -5.321 -14.358 0.000) 15.312 7.108 ( -1.932 -1.177 0.000) 2.262 7.121 ( -9.793 -1.078 0.000) 9.852 7.151 ( -9.393 -2.271 0.000) 9.663 7.271 ( 1.819 -8.915 0.000) 9.099 7.570 ( -7.905 0.863 0.000) 7.952 7.619 ( -2.254 -1.023 0.000) 2.475 7.677 ( -6.884 -1.515 0.000) 7.049 7.770 ( -8.904 -7.316 0.000) 11.525 8.606 ( 3.219 12.836 0.000) 13.234 8.609 ( -4.156 13.841 0.000) 14.451 8.867 ( 4.441 0.647 0.000) 4.487 9.083 ( -3.460 -7.621 0.000) 8.370 9.978 ( 8.104 20.148 0.000) 21.716 10.712 ( 7.869 -12.896 0.000) 15.107 11.083 ( -3.148 11.943 0.000) 12.351 11.431 ( -0.982 -4.226 0.000) 4.338 12.095 ( 4.033 2.108 0.000) 4.550 12.181 ( 12.591 -0.885 0.000) 12.622 13.392 ( 0.816 7.363 0.000) 7.408 13.531 ( 3.457 2.692 0.000) 4.382 13.656 ( 0.540 16.234 0.000) 16.243 14.196 ( -2.344 -0.392 0.000) 2.377 14.349 ( 0.438 -6.415 0.000) 6.430 14.415 ( 1.854 1.489 0.000) 2.378 14.565 ( 2.167 -12.273 0.000) 12.463 14.758 ( -4.247 5.181 0.000) 6.700 14.823 ( 2.290 -16.188 0.000) 16.349 15.022 ( -8.164 -6.600 0.000) 10.498 15.562 ( 0.317 6.285 0.000) 6.293 15.922 ( -3.614 -8.867 0.000) 9.575 16.041 ( -2.883 5.812 0.000) 6.488 16.210 ( -0.774 1.082 0.000) 1.330 16.237 ( -1.897 -1.816 0.000) 2.626 16.276 ( 2.401 -2.194 0.000) 3.252 16.337 ( -0.143 1.586 0.000) 1.593 16.573 ( 3.557 -10.168 0.000) 10.773 17.336 ( 0.278 8.174 0.000) 8.179 17.711 ( 0.337 -7.651 0.000) 7.659 18.060 ( -6.137 5.405 0.000) 8.178 18.189 ( -11.044 0.778 0.000) 11.071 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 25.592 11.982 0.000) 28.258 1.861 ( 15.174 20.040 0.000) 25.137 2.294 ( 14.769 -17.279 0.000) 22.731 2.602 ( 5.012 -12.113 0.000) 13.109 3.119 ( 16.552 29.720 0.000) 34.019 3.298 ( -2.146 8.510 0.000) 8.776 3.485 ( -6.551 -1.104 0.000) 6.644 3.774 ( -8.234 -11.322 0.000) 13.999 3.823 ( 3.209 -4.427 0.000) 5.468 4.113 ( -8.085 7.922 0.000) 11.319 4.199 ( -5.510 -3.720 0.000) 6.648 4.432 ( -11.887 -5.003 0.000) 12.897 4.607 ( 17.399 3.970 0.000) 17.846 4.778 ( 15.243 -3.376 0.000) 15.612 4.897 ( -2.764 -0.419 0.000) 2.795 5.141 ( 20.815 -9.202 0.000) 22.759 5.432 ( 2.594 20.142 0.000) 20.308 5.668 ( -5.201 33.717 0.000) 34.115 6.293 ( 7.122 -18.382 0.000) 19.714 6.764 ( -8.064 -11.452 0.000) 14.006 6.873 ( -15.660 -0.753 0.000) 15.678 6.902 ( -15.909 -2.793 0.000) 16.152 7.070 ( -2.137 0.194 0.000) 2.146 7.301 ( 0.577 -7.719 0.000) 7.740 7.412 ( -7.745 1.937 0.000) 7.984 7.498 ( -12.091 -3.460 0.000) 12.576 7.524 ( -15.365 -8.561 0.000) 17.589 7.552 ( -4.543 -3.468 0.000) 5.715 8.591 ( 1.941 14.301 0.000) 14.433 8.680 ( 4.080 12.424 0.000) 13.077 8.965 ( 5.286 -0.852 0.000) 5.354 9.033 ( -1.011 -5.343 0.000) 5.438 10.149 ( 8.801 18.900 0.000) 20.849 10.858 ( 7.654 -11.816 0.000) 14.078 10.993 ( -6.232 13.106 0.000) 14.512 11.401 ( -2.192 -5.384 0.000) 5.813 12.222 ( 9.679 4.523 0.000) 10.684 12.504 ( 19.928 -7.709 0.000) 21.367 13.423 ( 2.451 5.865 0.000) 6.357 13.597 ( 2.474 0.525 0.000) 2.529 13.673 ( 1.221 16.174 0.000) 16.220 14.099 ( -8.318 6.090 0.000) 10.309 14.340 ( -1.540 -6.373 0.000) 6.557 14.435 ( -0.032 1.829 0.000) 1.829 14.537 ( -5.814 -4.975 0.000) 7.652 14.754 ( 4.748 -7.107 0.000) 8.547 14.807 ( -13.305 -4.790 0.000) 14.141 14.873 ( 2.757 -15.872 0.000) 16.110 15.572 ( 0.735 4.996 0.000) 5.050 15.846 ( -3.729 -6.789 0.000) 7.745 15.967 ( -4.750 5.783 0.000) 7.484 16.179 ( -4.197 -2.898 0.000) 5.100 16.199 ( -0.155 2.171 0.000) 2.177 16.334 ( 3.665 -4.055 0.000) 5.466 16.335 ( -0.210 3.123 0.000) 3.130 16.637 ( 2.562 -11.579 0.000) 11.859 17.345 ( 0.645 8.302 0.000) 8.327 17.720 ( 0.608 -7.586 0.000) 7.610 17.867 ( -12.679 7.436 0.000) 14.699 18.010 ( -7.402 0.729 0.000) 7.438 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 21.905 7.703 0.000) 23.220 2.137 ( 13.864 14.667 0.000) 20.182 2.566 ( 13.067 -12.320 0.000) 17.959 2.739 ( 9.361 -8.539 0.000) 12.671 3.254 ( -6.558 3.403 0.000) 7.388 3.255 ( -2.841 4.023 0.000) 4.925 3.351 ( -2.946 -1.086 0.000) 3.139 3.587 ( -11.218 -8.547 0.000) 14.103 3.937 ( -8.721 5.602 0.000) 10.365 3.945 ( 5.684 4.098 0.000) 7.007 4.059 ( -8.327 0.584 0.000) 8.348 4.166 ( -13.227 -3.286 0.000) 13.629 4.942 ( 10.809 14.950 0.000) 18.448 5.019 ( 24.151 2.880 0.000) 24.322 5.146 ( 21.470 -1.800 0.000) 21.546 5.518 ( 6.884 19.394 0.000) 20.579 5.570 ( -4.418 33.606 0.000) 33.895 5.613 ( 26.499 -11.230 0.000) 28.781 6.360 ( -5.990 -10.881 0.000) 12.421 6.549 ( -18.731 -2.049 0.000) 18.843 6.577 ( -12.692 -4.178 0.000) 13.362 6.611 ( -7.791 -10.803 0.000) 13.320 6.979 ( -10.370 -2.511 0.000) 10.670 7.173 ( -18.511 -9.528 0.000) 20.819 7.218 ( -6.910 -1.645 0.000) 7.103 7.292 ( -4.803 1.880 0.000) 5.157 7.381 ( -0.793 -10.840 0.000) 10.869 7.463 ( -4.292 -4.882 0.000) 6.500 8.656 ( 4.159 12.791 0.000) 13.450 8.745 ( 2.394 11.944 0.000) 12.182 9.045 ( 1.857 -4.236 0.000) 4.625 9.052 ( 3.515 -2.052 0.000) 4.070 10.309 ( 8.297 18.666 0.000) 20.427 10.848 ( -8.796 14.763 0.000) 17.185 11.007 ( 7.728 -11.418 0.000) 13.787 11.346 ( -3.638 -7.204 0.000) 8.071 12.469 ( 16.121 7.076 0.000) 17.606 12.903 ( 21.324 -11.992 0.000) 24.465 13.467 ( -0.388 3.406 0.000) 3.428 13.566 ( -5.899 0.342 0.000) 5.909 13.696 ( 0.966 14.399 0.000) 14.431 13.918 ( -8.618 8.868 0.000) 12.366 14.292 ( -3.225 -8.034 0.000) 8.657 14.383 ( -10.372 -7.972 0.000) 13.082 14.423 ( -0.784 6.753 0.000) 6.798 14.576 ( -8.643 1.705 0.000) 8.810 14.871 ( 5.982 -11.268 0.000) 12.758 14.923 ( 2.438 -15.398 0.000) 15.590 15.596 ( 2.035 3.773 0.000) 4.287 15.800 ( -0.549 -5.294 0.000) 5.323 15.865 ( -5.859 5.348 0.000) 7.933 16.079 ( -6.229 -3.662 0.000) 7.225 16.210 ( 1.312 3.584 0.000) 3.816 16.323 ( -1.113 4.438 0.000) 4.575 16.417 ( 4.927 -5.638 0.000) 7.487 16.656 ( -0.702 -11.203 0.000) 11.225 17.363 ( 1.353 8.524 0.000) 8.631 17.642 ( -10.220 8.886 0.000) 13.543 17.734 ( 0.919 -7.290 0.000) 7.348 17.887 ( -5.479 -2.334 0.000) 5.956 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 9.362 8.046 0.000) 12.344 2.394 ( 9.078 4.579 0.000) 10.167 2.784 ( 10.683 -7.080 0.000) 12.816 2.940 ( 8.752 -14.330 0.000) 16.791 3.037 ( -10.225 7.200 0.000) 12.505 3.159 ( -7.863 -0.377 0.000) 7.872 3.321 ( -0.749 -3.032 0.000) 3.123 3.383 ( -8.242 -3.791 0.000) 9.072 3.841 ( -0.443 2.969 0.000) 3.002 3.909 ( -6.534 1.627 0.000) 6.733 3.968 ( -1.367 -0.242 0.000) 1.388 3.987 ( -4.816 -2.043 0.000) 5.232 5.238 ( 14.286 30.819 0.000) 33.969 5.398 ( -2.296 29.435 0.000) 29.524 5.496 ( 25.039 1.755 0.000) 25.101 5.662 ( 20.144 2.664 0.000) 20.319 5.734 ( 16.309 11.399 0.000) 19.898 5.945 ( -8.388 0.512 0.000) 8.404 6.074 ( -17.822 -3.216 0.000) 18.109 6.223 ( -24.170 7.111 0.000) 25.194 6.300 ( 10.565 -9.365 0.000) 14.119 6.651 ( 6.271 -19.979 0.000) 20.940 6.694 ( -19.206 -8.063 0.000) 20.830 6.827 ( -14.461 -18.343 0.000) 23.358 7.181 ( 1.093 1.023 0.000) 1.497 7.221 ( -2.872 1.567 0.000) 3.271 7.384 ( 0.483 -8.686 0.000) 8.700 7.403 ( -1.857 -6.464 0.000) 6.726 8.729 ( 3.101 11.922 0.000) 12.319 8.764 ( -0.456 11.724 0.000) 11.733 9.083 ( 1.608 -3.584 0.000) 3.928 9.093 ( 0.736 -2.918 0.000) 3.009 10.477 ( 9.491 17.970 0.000) 20.322 10.666 ( -10.026 16.539 0.000) 19.341 11.146 ( 6.772 -10.925 0.000) 12.854 11.261 ( -5.248 -9.321 0.000) 10.697 12.822 ( 20.322 8.043 0.000) 21.856 13.217 ( -20.037 6.262 0.000) 20.993 13.299 ( 19.438 -13.175 0.000) 23.482 13.545 ( -2.481 -5.468 0.000) 6.004 13.699 ( -0.562 12.164 0.000) 12.177 13.750 ( -8.880 7.337 0.000) 11.519 14.231 ( -3.298 -8.509 0.000) 9.126 14.234 ( -2.329 -8.734 0.000) 9.039 14.422 ( 1.014 10.159 0.000) 10.209 14.468 ( -3.796 8.246 0.000) 9.077 14.952 ( 2.212 -13.394 0.000) 13.575 14.960 ( 1.097 -14.651 0.000) 14.692 15.655 ( 4.175 3.624 0.000) 5.528 15.752 ( -5.760 4.468 0.000) 7.290 15.837 ( 4.356 -4.419 0.000) 6.204 15.950 ( -6.868 -4.064 0.000) 7.981 16.246 ( 2.341 4.686 0.000) 5.238 16.291 ( -2.167 5.019 0.000) 5.467 16.517 ( 5.404 -7.457 0.000) 9.210 16.610 ( -3.955 -9.555 0.000) 10.342 17.402 ( 2.965 8.849 0.000) 9.333 17.486 ( -6.105 9.125 0.000) 10.979 17.758 ( 1.671 -6.498 0.000) 6.709 17.803 ( -3.294 -4.894 0.000) 5.899 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 0.000 -24.047 0.000) 24.047 1.420 ( 0.000 24.047 0.000) 24.047 2.024 ( 0.000 -26.718 0.000) 26.718 2.024 ( 0.000 26.718 0.000) 26.718 3.613 ( 0.000 -21.904 0.000) 21.904 3.613 ( 0.000 21.904 0.000) 21.904 3.653 ( 0.000 -14.335 0.000) 14.335 3.653 ( 0.000 14.335 0.000) 14.335 3.674 ( 0.000 -7.187 0.000) 7.187 3.674 ( 0.000 7.187 0.000) 7.187 4.271 ( 0.000 -0.546 0.000) 0.546 4.271 ( 0.000 0.546 0.000) 0.546 4.591 ( 0.000 -8.264 0.000) 8.264 4.591 ( 0.000 8.264 0.000) 8.264 4.857 ( 0.000 -3.643 0.000) 3.643 4.857 ( 0.000 3.643 0.000) 3.643 5.747 ( 0.000 -15.458 0.000) 15.458 5.747 ( 0.000 15.458 0.000) 15.458 6.469 ( 0.000 -28.890 0.000) 28.890 6.469 ( 0.000 28.890 0.000) 28.890 7.129 ( 0.000 -2.307 0.000) 2.307 7.129 ( 0.000 2.307 0.000) 2.307 7.206 ( 0.000 -0.530 0.000) 0.530 7.206 ( 0.000 0.530 0.000) 0.530 7.651 ( 0.000 -0.479 0.000) 0.479 7.651 ( 0.000 0.479 0.000) 0.479 7.754 ( 0.000 -2.259 0.000) 2.259 7.754 ( 0.000 2.259 0.000) 2.259 8.777 ( 0.000 -5.809 0.000) 5.809 8.777 ( 0.000 5.809 0.000) 5.809 8.908 ( 0.000 -10.662 0.000) 10.662 8.908 ( 0.000 10.662 0.000) 10.662 10.306 ( 0.000 -16.899 0.000) 16.899 10.306 ( 0.000 16.899 0.000) 16.899 11.321 ( 0.000 -7.556 0.000) 7.556 11.321 ( 0.000 7.556 0.000) 7.556 12.080 ( 0.000 -0.517 0.000) 0.517 12.080 ( 0.000 0.517 0.000) 0.517 13.516 ( 0.000 -2.327 0.000) 2.327 13.516 ( 0.000 2.327 0.000) 2.327 14.044 ( 0.000 -18.616 0.000) 18.616 14.044 ( 0.000 18.616 0.000) 18.616 14.275 ( 0.000 -8.920 0.000) 8.920 14.275 ( 0.000 8.920 0.000) 8.920 14.526 ( 0.000 -8.416 0.000) 8.416 14.526 ( 0.000 8.416 0.000) 8.416 14.957 ( 0.000 -6.717 0.000) 6.717 14.957 ( 0.000 6.717 0.000) 6.717 15.739 ( 0.000 -9.782 0.000) 9.782 15.739 ( 0.000 9.782 0.000) 9.782 16.194 ( 0.000 -4.857 0.000) 4.857 16.194 ( 0.000 4.857 0.000) 4.857 16.234 ( 0.000 -0.692 0.000) 0.692 16.234 ( 0.000 0.692 0.000) 0.692 16.384 ( 0.000 -4.181 0.000) 4.181 16.384 ( 0.000 4.181 0.000) 4.181 17.523 ( 0.000 -9.131 0.000) 9.131 17.523 ( 0.000 9.131 0.000) 9.131 18.233 ( 0.000 -4.820 0.000) 4.820 18.233 ( 0.000 4.820 0.000) 4.820 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 14.862 -21.365 0.000) 26.026 1.574 ( 14.862 21.365 0.000) 26.026 2.101 ( 7.364 -23.398 0.000) 24.530 2.101 ( 7.364 23.398 0.000) 24.530 3.551 ( -4.463 -12.544 0.000) 13.314 3.551 ( -4.463 12.544 0.000) 13.314 3.616 ( -3.729 -13.684 0.000) 14.183 3.616 ( -3.729 13.684 0.000) 14.183 3.796 ( 10.143 -21.914 0.000) 24.148 3.796 ( 10.143 21.914 0.000) 24.148 4.343 ( 5.619 -2.975 0.000) 6.358 4.343 ( 5.619 2.975 0.000) 6.358 4.552 ( -2.284 -5.596 0.000) 6.044 4.552 ( -2.284 5.596 0.000) 6.044 4.870 ( 1.477 -2.877 0.000) 3.234 4.870 ( 1.477 2.877 0.000) 3.234 5.777 ( 3.211 -17.318 0.000) 17.613 5.777 ( 3.211 17.318 0.000) 17.613 6.434 ( -3.496 -28.351 0.000) 28.565 6.434 ( -3.496 28.351 0.000) 28.565 7.117 ( -9.210 -0.767 0.000) 9.242 7.117 ( -9.210 0.767 0.000) 9.242 7.128 ( 0.036 -3.621 0.000) 3.621 7.128 ( 0.036 3.621 0.000) 3.621 7.594 ( -5.429 -1.228 0.000) 5.566 7.594 ( -5.429 1.228 0.000) 5.566 7.675 ( -8.151 -1.747 0.000) 8.336 7.675 ( -8.151 1.747 0.000) 8.336 8.812 ( 3.356 -6.099 0.000) 6.961 8.812 ( 3.356 6.099 0.000) 6.961 8.877 ( -2.218 -11.236 0.000) 11.452 8.877 ( -2.218 11.236 0.000) 11.452 10.390 ( 7.562 -17.357 0.000) 18.933 10.390 ( 7.562 17.357 0.000) 18.933 11.302 ( -2.045 -8.086 0.000) 8.341 11.302 ( -2.045 8.086 0.000) 8.341 12.145 ( 6.929 -2.282 0.000) 7.295 12.145 ( 6.929 2.282 0.000) 7.295 13.527 ( 1.071 -3.808 0.000) 3.956 13.527 ( 1.071 3.808 0.000) 3.956 14.050 ( 0.465 -18.580 0.000) 18.586 14.050 ( 0.465 18.580 0.000) 18.586 14.295 ( 1.799 -10.153 0.000) 10.312 14.295 ( 1.799 10.153 0.000) 10.312 14.546 ( 1.815 -8.927 0.000) 9.110 14.546 ( 1.815 8.927 0.000) 9.110 14.885 ( -7.119 -6.205 0.000) 9.443 14.885 ( -7.119 6.205 0.000) 9.443 15.726 ( -1.277 -8.788 0.000) 8.880 15.726 ( -1.277 8.788 0.000) 8.880 16.166 ( -2.798 -5.024 0.000) 5.750 16.166 ( -2.798 5.024 0.000) 5.750 16.237 ( 0.446 -1.503 0.000) 1.568 16.237 ( 0.446 1.503 0.000) 1.568 16.403 ( 1.703 -5.244 0.000) 5.513 16.403 ( 1.703 5.244 0.000) 5.513 17.527 ( 0.336 -9.146 0.000) 9.152 17.527 ( 0.336 9.146 0.000) 9.152 18.156 ( -7.433 -3.337 0.000) 8.148 18.156 ( -7.433 3.337 0.000) 8.148 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 20.028 -16.450 0.000) 25.918 1.922 ( 20.028 16.450 0.000) 25.918 2.272 ( 9.880 -17.949 0.000) 20.488 2.272 ( 9.880 17.949 0.000) 20.488 3.447 ( -6.499 -4.264 0.000) 7.773 3.447 ( -6.499 4.264 0.000) 7.773 3.521 ( -5.907 -11.673 0.000) 13.083 3.521 ( -5.907 11.673 0.000) 13.083 3.997 ( 8.238 -15.113 0.000) 17.213 3.997 ( 8.238 15.113 0.000) 17.213 4.290 ( -10.297 -7.930 0.000) 12.997 4.290 ( -10.297 7.930 0.000) 12.997 4.696 ( 16.672 -4.116 0.000) 17.173 4.696 ( 16.672 4.116 0.000) 17.173 4.955 ( 9.757 -6.423 0.000) 11.681 4.955 ( 9.757 6.423 0.000) 11.681 5.866 ( 5.749 -20.428 0.000) 21.221 5.866 ( 5.749 20.428 0.000) 21.221 6.348 ( -5.170 -27.342 0.000) 27.826 6.348 ( -5.170 27.342 0.000) 27.826 6.869 ( -16.239 -0.519 0.000) 16.247 6.869 ( -16.239 0.519 0.000) 16.247 7.129 ( -0.438 -5.834 0.000) 5.851 7.129 ( -0.438 5.834 0.000) 5.851 7.453 ( -14.622 -0.428 0.000) 14.628 7.453 ( -14.622 0.428 0.000) 14.628 7.473 ( -6.599 -3.570 0.000) 7.503 7.473 ( -6.599 3.570 0.000) 7.503 8.859 ( 0.697 -10.535 0.000) 10.558 8.859 ( 0.697 10.535 0.000) 10.558 8.888 ( 4.126 -6.658 0.000) 7.833 8.888 ( 4.126 6.658 0.000) 7.833 10.548 ( 8.350 -17.083 0.000) 19.014 10.548 ( 8.350 17.083 0.000) 19.014 11.242 ( -4.215 -9.611 0.000) 10.495 11.242 ( -4.215 9.611 0.000) 10.495 12.345 ( 13.799 -6.843 0.000) 15.403 12.345 ( 13.799 6.843 0.000) 15.403 13.549 ( 0.908 -4.855 0.000) 4.940 13.549 ( 0.908 4.855 0.000) 4.940 14.053 ( -0.392 -17.523 0.000) 17.527 14.053 ( -0.392 17.523 0.000) 17.527 14.306 ( -2.594 -12.698 0.000) 12.960 14.306 ( -2.594 12.698 0.000) 12.960 14.584 ( 2.074 -10.155 0.000) 10.365 14.584 ( 2.074 10.155 0.000) 10.365 14.728 ( -7.355 -2.728 0.000) 7.845 14.728 ( -7.355 2.728 0.000) 7.845 15.698 ( -1.352 -6.659 0.000) 6.794 15.698 ( -1.352 6.659 0.000) 6.794 16.092 ( -4.901 -5.268 0.000) 7.195 16.092 ( -4.901 5.268 0.000) 7.195 16.256 ( 1.641 -3.167 0.000) 3.567 16.256 ( 1.641 3.167 0.000) 3.567 16.437 ( 1.540 -6.877 0.000) 7.047 16.437 ( 1.540 6.877 0.000) 7.047 17.536 ( 0.719 -9.149 0.000) 9.178 17.536 ( 0.719 9.149 0.000) 9.178 17.981 ( -10.047 -3.355 0.000) 10.592 17.981 ( -10.047 3.355 0.000) 10.592 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 17.582 -12.083 0.000) 21.334 2.290 ( 17.582 12.083 0.000) 21.334 2.461 ( 9.546 -15.187 0.000) 17.938 2.461 ( 9.546 15.187 0.000) 17.938 3.314 ( -6.878 -2.450 0.000) 7.301 3.314 ( -6.878 2.450 0.000) 7.301 3.398 ( -6.936 -8.411 0.000) 10.902 3.398 ( -6.936 8.411 0.000) 10.902 4.039 ( -3.171 -2.930 0.000) 4.317 4.039 ( -3.171 2.930 0.000) 4.317 4.067 ( -11.217 -5.762 0.000) 12.610 4.067 ( -11.217 5.762 0.000) 12.610 5.085 ( 23.021 -3.202 0.000) 23.243 5.085 ( 23.021 3.202 0.000) 23.243 5.300 ( 25.440 -17.099 0.000) 30.653 5.300 ( 25.440 17.099 0.000) 30.653 5.974 ( 4.804 -21.762 0.000) 22.286 5.974 ( 4.804 21.762 0.000) 22.286 6.248 ( -5.196 -26.454 0.000) 26.959 6.248 ( -5.196 26.454 0.000) 26.959 6.522 ( -19.460 -0.254 0.000) 19.462 6.522 ( -19.460 0.254 0.000) 19.462 6.997 ( -18.370 -4.925 0.000) 19.018 6.997 ( -18.370 4.925 0.000) 19.018 7.236 ( -3.014 -3.175 0.000) 4.378 7.236 ( -3.014 3.175 0.000) 4.378 7.360 ( -4.996 -4.308 0.000) 6.596 7.360 ( -4.996 4.308 0.000) 6.596 8.898 ( 2.931 -9.358 0.000) 9.806 8.898 ( 2.931 9.358 0.000) 9.806 8.954 ( 2.544 -7.244 0.000) 7.678 8.954 ( 2.544 7.244 0.000) 7.678 10.702 ( 7.919 -16.867 0.000) 18.634 10.702 ( 7.919 16.867 0.000) 18.634 11.142 ( -6.291 -11.886 0.000) 13.448 11.142 ( -6.291 11.886 0.000) 13.448 12.658 ( 18.557 -10.415 0.000) 21.280 12.658 ( 18.557 10.415 0.000) 21.280 13.539 ( -3.104 -2.742 0.000) 4.142 13.539 ( -3.104 2.742 0.000) 4.142 14.031 ( -1.928 -15.252 0.000) 15.374 14.031 ( -1.928 15.252 0.000) 15.374 14.155 ( -11.302 -12.228 0.000) 16.651 14.155 ( -11.302 12.228 0.000) 16.651 14.623 ( 2.043 -11.693 0.000) 11.870 14.623 ( 2.043 11.693 0.000) 11.870 14.668 ( 0.243 -6.964 0.000) 6.968 14.668 ( 0.243 6.964 0.000) 6.968 15.690 ( 0.882 -4.878 0.000) 4.957 15.690 ( 0.882 4.878 0.000) 4.957 15.983 ( -6.463 -5.242 0.000) 8.322 15.983 ( -6.463 5.242 0.000) 8.322 16.301 ( 3.041 -4.926 0.000) 5.789 16.301 ( 3.041 4.926 0.000) 5.789 16.451 ( -0.252 -7.737 0.000) 7.741 16.451 ( -0.252 7.737 0.000) 7.741 17.556 ( 1.360 -9.030 0.000) 9.131 17.556 ( 1.360 9.030 0.000) 9.131 17.800 ( -8.468 -5.784 0.000) 10.255 17.800 ( -8.468 5.784 0.000) 10.255 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 9.256 -10.343 0.000) 13.880 2.556 ( 9.256 10.343 0.000) 13.880 2.605 ( 4.030 -13.720 0.000) 14.300 2.605 ( 4.030 13.720 0.000) 14.300 3.217 ( -2.086 -6.847 0.000) 7.158 3.217 ( -2.086 6.847 0.000) 7.158 3.265 ( -6.256 -6.609 0.000) 9.100 3.265 ( -6.256 6.609 0.000) 9.100 3.922 ( -3.058 -3.887 0.000) 4.946 3.922 ( -3.058 3.887 0.000) 4.946 3.947 ( -4.611 -1.620 0.000) 4.887 3.947 ( -4.611 1.620 0.000) 4.887 5.542 ( 24.041 -2.192 0.000) 24.141 5.542 ( 24.041 2.192 0.000) 24.141 5.818 ( 21.715 -17.621 0.000) 27.964 5.818 ( 21.715 17.621 0.000) 27.964 5.968 ( -8.092 -10.197 0.000) 13.017 5.968 ( -8.092 10.197 0.000) 13.017 6.143 ( -6.667 -24.121 0.000) 25.026 6.143 ( -6.667 24.121 0.000) 25.026 6.243 ( -1.364 -12.024 0.000) 12.101 6.243 ( -1.364 12.024 0.000) 12.101 6.544 ( -25.722 -3.661 0.000) 25.982 6.544 ( -25.722 3.661 0.000) 25.982 7.241 ( 1.681 -4.653 0.000) 4.947 7.241 ( 1.681 4.653 0.000) 4.947 7.285 ( -2.959 -4.376 0.000) 5.282 7.285 ( -2.959 4.376 0.000) 5.282 8.953 ( 2.420 -8.507 0.000) 8.845 8.953 ( 2.420 8.507 0.000) 8.845 8.978 ( -0.102 -7.848 0.000) 7.848 8.978 ( -0.102 7.848 0.000) 7.848 10.854 ( 8.096 -16.152 0.000) 18.068 10.854 ( 8.096 16.152 0.000) 18.068 11.007 ( -7.728 -14.338 0.000) 16.288 11.007 ( -7.728 14.338 0.000) 16.288 13.031 ( 19.899 -11.384 0.000) 22.925 13.031 ( 19.899 11.384 0.000) 22.925 13.375 ( -14.582 -8.288 0.000) 16.773 13.375 ( -14.582 8.288 0.000) 16.773 13.990 ( -1.825 -13.591 0.000) 13.713 13.990 ( -1.825 13.591 0.000) 13.713 13.995 ( -3.714 -12.704 0.000) 13.235 13.995 ( -3.714 12.704 0.000) 13.235 14.660 ( 1.650 -12.541 0.000) 12.649 14.660 ( 1.650 12.541 0.000) 12.649 14.678 ( -0.015 -11.458 0.000) 11.458 14.678 ( -0.015 11.458 0.000) 11.458 15.742 ( 4.581 -4.367 0.000) 6.329 15.742 ( 4.581 4.367 0.000) 6.329 15.854 ( -6.725 -4.819 0.000) 8.273 15.854 ( -6.725 4.819 0.000) 8.273 16.366 ( 3.506 -6.446 0.000) 7.338 16.366 ( 3.506 6.446 0.000) 7.338 16.425 ( -2.422 -7.513 0.000) 7.893 16.425 ( -2.422 7.513 0.000) 7.893 17.593 ( 2.750 -8.600 0.000) 9.029 17.593 ( 2.750 8.600 0.000) 9.029 17.668 ( -5.326 -7.602 0.000) 9.282 17.668 ( -5.326 7.602 0.000) 9.282 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 0.000 0.000 21.977) 21.977 0.756 ( 0.000 0.000 35.403) 35.403 1.162 ( 0.000 0.000 54.760) 54.760 2.654 ( 0.000 0.000 8.041) 8.041 2.937 ( 0.000 0.000 -9.239) 9.239 2.995 ( 0.000 0.000 2.097) 2.097 3.520 ( 0.000 0.000 2.285) 2.285 3.950 ( 0.000 0.000 -4.570) 4.570 3.984 ( 0.000 0.000 -9.396) 9.396 4.191 ( 0.000 0.000 -4.529) 4.529 4.327 ( 0.000 0.000 -8.599) 8.599 4.449 ( 0.000 0.000 -3.750) 3.750 4.621 ( 0.000 0.000 9.437) 9.437 4.744 ( 0.000 0.000 1.525) 1.525 4.987 ( 0.000 0.000 0.964) 0.964 5.028 ( 0.000 0.000 11.572) 11.572 5.099 ( 0.000 0.000 2.787) 2.787 5.119 ( 0.000 0.000 -4.750) 4.750 6.632 ( 0.000 0.000 5.330) 5.330 7.108 ( 0.000 0.000 -7.848) 7.848 7.231 ( 0.000 0.000 -6.458) 6.458 7.247 ( 0.000 0.000 -7.124) 7.124 7.367 ( 0.000 0.000 -12.938) 12.938 7.421 ( 0.000 0.000 -3.349) 3.349 7.569 ( 0.000 0.000 -5.882) 5.882 7.617 ( 0.000 0.000 -1.186) 1.186 7.885 ( 0.000 0.000 4.852) 4.852 7.895 ( 0.000 0.000 6.548) 6.548 8.183 ( 0.000 0.000 14.262) 14.262 8.274 ( 0.000 0.000 -1.152) 1.152 8.663 ( 0.000 0.000 -1.855) 1.855 9.197 ( 0.000 0.000 -10.324) 10.324 9.312 ( 0.000 0.000 6.017) 6.017 10.701 ( 0.000 0.000 -4.767) 4.767 10.930 ( 0.000 0.000 6.005) 6.005 11.644 ( 0.000 0.000 -2.601) 2.601 11.966 ( 0.000 0.000 3.008) 3.008 12.070 ( 0.000 0.000 3.044) 3.044 13.223 ( 0.000 0.000 2.055) 2.055 13.413 ( 0.000 0.000 8.154) 8.154 13.414 ( 0.000 0.000 1.822) 1.822 14.211 ( 0.000 0.000 -5.977) 5.977 14.282 ( 0.000 0.000 -8.825) 8.825 14.352 ( 0.000 0.000 -3.401) 3.401 14.724 ( 0.000 0.000 5.920) 5.920 14.882 ( 0.000 0.000 3.516) 3.516 15.328 ( 0.000 0.000 7.659) 7.659 15.431 ( 0.000 0.000 -1.312) 1.312 15.436 ( 0.000 0.000 1.778) 1.778 15.862 ( 0.000 0.000 -5.214) 5.214 16.231 ( 0.000 0.000 2.598) 2.598 16.249 ( 0.000 0.000 -2.021) 2.021 16.270 ( 0.000 0.000 0.253) 0.253 16.315 ( 0.000 0.000 -1.378) 1.378 16.754 ( 0.000 0.000 -4.538) 4.538 17.094 ( 0.000 0.000 -3.941) 3.941 17.139 ( 0.000 0.000 0.064) 0.064 17.202 ( 0.000 0.000 -0.728) 0.728 17.888 ( 0.000 0.000 0.363) 0.363 17.925 ( 0.000 0.000 -0.685) 0.685 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 12.460 0.000 16.941) 21.029 0.723 ( 23.070 0.000 14.549) 27.274 1.784 ( 40.991 0.000 42.436) 59.000 2.679 ( 2.604 0.000 6.695) 7.183 2.896 ( -5.213 0.000 -1.841) 5.528 2.990 ( 3.946 0.000 -6.783) 7.847 3.559 ( 0.962 0.000 -0.127) 0.970 3.966 ( 1.123 0.000 -2.697) 2.921 4.031 ( 1.573 0.000 -12.695) 12.792 4.160 ( -0.049 0.000 -3.968) 3.968 4.275 ( -9.674 0.000 0.035) 9.674 4.280 ( -4.767 0.000 -8.824) 10.029 4.644 ( -12.082 0.000 3.960) 12.714 4.679 ( -3.139 0.000 -0.863) 3.255 4.752 ( -0.936 0.000 4.991) 5.078 4.969 ( -9.002 0.000 -2.908) 9.460 5.155 ( 15.904 0.000 15.349) 22.103 5.307 ( 2.165 0.000 4.858) 5.318 6.684 ( 4.275 0.000 4.047) 5.887 7.074 ( -4.658 0.000 -6.004) 7.599 7.134 ( -8.546 0.000 -6.877) 10.969 7.174 ( -7.856 0.000 -3.572) 8.630 7.223 ( -11.302 0.000 -7.994) 13.843 7.445 ( 2.024 0.000 -6.176) 6.499 7.463 ( -7.112 0.000 -2.451) 7.522 7.568 ( -5.744 0.000 -4.602) 7.361 7.940 ( 8.362 0.000 6.465) 10.570 8.044 ( -12.829 0.000 10.640) 16.667 8.051 ( 9.642 0.000 3.097) 10.127 8.095 ( -9.658 0.000 3.623) 10.315 8.749 ( 7.210 0.000 -1.603) 7.386 9.167 ( -2.140 0.000 2.813) 3.535 9.470 ( 11.350 0.000 -4.600) 12.247 10.707 ( -2.543 0.000 -3.186) 4.077 11.023 ( 5.508 0.000 -1.213) 5.640 11.576 ( -4.442 0.000 1.063) 4.568 12.075 ( 0.843 0.000 2.160) 2.319 12.184 ( 20.972 0.000 -0.935) 20.993 13.255 ( 3.262 0.000 1.997) 3.825 13.400 ( -1.211 0.000 7.529) 7.625 13.463 ( 4.980 0.000 3.216) 5.928 14.100 ( -10.870 0.000 -10.889) 15.386 14.342 ( 2.884 0.000 -11.935) 12.278 14.361 ( 0.222 0.000 1.536) 1.552 14.765 ( 2.115 0.000 1.956) 2.881 14.932 ( 2.700 0.000 2.677) 3.803 15.290 ( -9.009 0.000 3.847) 9.796 15.351 ( 0.317 0.000 5.926) 5.934 15.447 ( 1.240 0.000 1.862) 2.237 15.846 ( -1.596 0.000 -4.345) 4.629 16.205 ( -5.881 0.000 -1.070) 5.977 16.213 ( -1.786 0.000 2.426) 3.012 16.267 ( -0.394 0.000 0.391) 0.555 16.326 ( -0.632 0.000 0.927) 1.122 16.436 ( -8.719 0.000 4.806) 9.956 17.138 ( -0.052 0.000 -0.066) 0.084 17.199 ( -0.295 0.000 -0.487) 0.569 17.337 ( 5.768 0.000 -12.572) 13.832 17.891 ( 0.238 0.000 0.303) 0.385 17.920 ( -0.552 0.000 -0.599) 0.815 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 36.306 0.000 -9.673) 37.573 1.221 ( 28.021 0.000 9.723) 29.660 2.474 ( 24.522 0.000 23.515) 33.975 2.742 ( 3.488 0.000 4.691) 5.846 2.886 ( 9.907 0.000 4.497) 10.880 3.105 ( 7.714 0.000 -7.754) 10.938 3.516 ( -4.898 0.000 -2.565) 5.529 3.938 ( -7.356 0.000 -9.871) 12.310 3.961 ( -2.510 0.000 1.077) 2.731 4.076 ( -9.498 0.000 -3.973) 10.295 4.159 ( -7.693 0.000 -10.316) 12.869 4.371 ( 16.516 0.000 -6.237) 17.655 4.542 ( -4.951 0.000 -5.616) 7.486 4.569 ( -7.576 0.000 -1.625) 7.748 4.637 ( -8.890 0.000 2.414) 9.212 4.799 ( -4.059 0.000 -2.637) 4.841 5.320 ( 2.207 0.000 11.386) 11.598 5.567 ( 24.569 0.000 16.876) 29.807 6.720 ( -4.747 0.000 -2.704) 5.464 6.833 ( -17.604 0.000 -5.919) 18.572 6.939 ( -14.671 0.000 -1.692) 14.768 7.042 ( -3.064 0.000 -7.020) 7.659 7.057 ( -4.488 0.000 -1.304) 4.674 7.325 ( -7.097 0.000 -3.640) 7.976 7.450 ( -6.762 0.000 -1.302) 6.887 7.476 ( 0.846 0.000 -6.205) 6.262 7.791 ( -13.894 0.000 1.966) 14.033 7.910 ( -8.767 0.000 4.603) 9.902 8.117 ( 9.210 0.000 4.022) 10.050 8.223 ( 7.945 0.000 2.559) 8.347 8.900 ( 7.987 0.000 -0.028) 7.987 9.157 ( 0.956 0.000 7.697) 7.756 9.664 ( 9.113 0.000 -3.689) 9.831 10.614 ( -6.812 0.000 -0.434) 6.826 11.123 ( 6.128 0.000 0.527) 6.151 11.518 ( -2.013 0.000 0.265) 2.030 12.123 ( 4.718 0.000 -0.141) 4.721 12.651 ( 25.882 0.000 -6.113) 26.595 13.337 ( 4.553 0.000 1.063) 4.675 13.383 ( 0.436 0.000 6.761) 6.775 13.588 ( 6.788 0.000 5.799) 8.928 13.823 ( -16.734 0.000 -13.434) 21.459 14.347 ( -1.836 0.000 5.202) 5.516 14.354 ( -1.770 0.000 -10.105) 10.259 14.770 ( -2.486 0.000 3.309) 4.139 14.865 ( -9.656 0.000 -1.586) 9.786 15.199 ( 1.528 0.000 8.657) 8.790 15.379 ( 1.815 0.000 6.926) 7.160 15.482 ( 2.293 0.000 2.064) 3.085 15.803 ( -2.886 0.000 -2.090) 3.563 16.067 ( -6.555 0.000 2.400) 6.981 16.171 ( -2.267 0.000 1.978) 3.009 16.252 ( -1.238 0.000 0.543) 1.351 16.259 ( -4.242 0.000 -0.069) 4.242 16.449 ( 4.510 0.000 -1.026) 4.626 17.138 ( 0.099 0.000 -0.246) 0.265 17.191 ( -0.586 0.000 -0.018) 0.586 17.313 ( -6.235 0.000 -6.897) 9.298 17.896 ( 0.241 0.000 0.121) 0.270 17.907 ( -0.617 0.000 -0.362) 0.715 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 28.566 0.000 7.517) 29.539 1.793 ( 32.206 0.000 -8.986) 33.436 2.639 ( 1.512 0.000 -0.416) 1.569 2.780 ( -0.781 0.000 4.069) 4.144 3.232 ( 8.135 0.000 0.675) 8.163 3.264 ( 8.762 0.000 -6.840) 11.115 3.452 ( 4.337 0.000 5.773) 7.221 3.816 ( -5.155 0.000 -7.602) 9.185 3.866 ( -5.728 0.000 5.076) 7.654 3.889 ( -9.524 0.000 -3.880) 10.284 4.004 ( -7.737 0.000 -10.074) 12.702 4.353 ( -11.515 0.000 1.044) 11.563 4.385 ( -9.279 0.000 0.923) 9.324 4.448 ( -8.506 0.000 -1.325) 8.609 4.801 ( 24.799 0.000 -11.682) 27.413 4.907 ( 13.532 0.000 -9.748) 16.677 5.470 ( 14.086 0.000 11.758) 18.348 6.001 ( 15.923 0.000 12.663) 20.344 6.421 ( -23.794 0.000 -9.308) 25.550 6.485 ( -14.477 0.000 -6.943) 16.056 6.632 ( -18.026 0.000 -0.643) 18.038 6.992 ( -2.394 0.000 -5.833) 6.305 7.089 ( 4.964 0.000 5.649) 7.520 7.202 ( -5.586 0.000 -4.439) 7.135 7.295 ( -9.558 0.000 2.683) 9.928 7.446 ( -6.351 0.000 -4.333) 7.689 7.577 ( -4.696 0.000 1.042) 4.810 7.773 ( -5.832 0.000 -0.356) 5.843 8.272 ( 6.836 0.000 2.755) 7.371 8.344 ( 4.626 0.000 2.321) 5.176 9.040 ( 6.523 0.000 2.141) 6.865 9.183 ( 1.186 0.000 7.715) 7.806 9.835 ( 9.344 0.000 -0.630) 9.365 10.453 ( -9.881 0.000 0.980) 9.930 11.258 ( 7.369 0.000 0.625) 7.395 11.486 ( -1.539 0.000 -0.558) 1.637 12.274 ( 11.394 0.000 -3.313) 11.866 13.113 ( 21.027 0.000 -10.869) 23.670 13.378 ( 1.736 0.000 -0.038) 1.737 13.392 ( -22.216 0.000 -11.537) 25.033 13.476 ( 7.876 0.000 5.532) 9.625 13.802 ( 9.712 0.000 7.001) 11.972 14.261 ( -8.612 0.000 -9.244) 12.634 14.286 ( -4.720 0.000 7.011) 8.452 14.618 ( -9.620 0.000 3.121) 10.114 14.721 ( -6.172 0.000 4.617) 7.708 15.284 ( 5.852 0.000 8.715) 10.498 15.411 ( 1.329 0.000 7.326) 7.445 15.532 ( 2.941 0.000 2.258) 3.708 15.739 ( -3.754 0.000 0.473) 3.783 15.981 ( -2.258 0.000 2.289) 3.215 16.138 ( -0.944 0.000 1.275) 1.586 16.169 ( -5.236 0.000 -0.580) 5.268 16.220 ( -2.120 0.000 0.605) 2.205 16.561 ( 7.256 0.000 -1.606) 7.432 17.143 ( 0.354 0.000 -0.203) 0.409 17.146 ( -10.535 0.000 -3.673) 11.157 17.178 ( -0.736 0.000 0.288) 0.791 17.896 ( -0.183 0.000 -0.256) 0.315 17.901 ( -0.036 0.000 0.059) 0.070 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 24.651 0.000 5.944) 25.358 2.321 ( 22.443 0.000 -5.192) 23.036 2.609 ( -6.951 0.000 -3.326) 7.706 2.656 ( -13.302 0.000 4.643) 14.089 3.213 ( 0.389 0.000 -8.408) 8.417 3.313 ( -5.987 0.000 -7.676) 9.735 3.582 ( 8.081 0.000 -2.596) 8.488 3.741 ( -2.303 0.000 -4.429) 4.992 3.755 ( -3.765 0.000 -4.374) 5.771 3.763 ( -8.880 0.000 -1.350) 8.982 3.990 ( 7.802 0.000 6.238) 9.990 4.157 ( -9.197 0.000 6.235) 11.111 4.267 ( -2.043 0.000 -0.984) 2.268 4.307 ( -5.555 0.000 -1.952) 5.888 5.303 ( 27.332 0.000 -9.972) 29.094 5.316 ( 28.119 0.000 -12.375) 30.722 5.797 ( 7.782 0.000 3.445) 8.511 5.834 ( -24.724 0.000 -8.729) 26.220 5.914 ( -17.104 0.000 -6.026) 18.134 6.251 ( -21.551 0.000 3.153) 21.780 6.606 ( 18.254 0.000 6.683) 19.439 6.902 ( -9.962 0.000 -0.387) 9.969 7.117 ( -2.960 0.000 -3.568) 4.636 7.130 ( -4.858 0.000 1.396) 5.054 7.183 ( 4.815 0.000 4.427) 6.541 7.292 ( -7.158 0.000 1.457) 7.304 7.591 ( 3.538 0.000 -2.830) 4.530 7.675 ( -4.808 0.000 -2.802) 5.565 8.370 ( 3.311 0.000 2.273) 4.017 8.396 ( 0.682 0.000 2.200) 2.304 9.141 ( 3.933 0.000 4.268) 5.804 9.188 ( -0.964 0.000 6.180) 6.255 10.029 ( 11.007 0.000 1.241) 11.077 10.247 ( -11.459 0.000 1.610) 11.571 11.380 ( 5.038 0.000 -0.010) 5.038 11.450 ( -2.537 0.000 -0.497) 2.585 12.559 ( 18.287 0.000 -6.834) 19.522 12.954 ( -22.623 0.000 -10.029) 24.746 13.374 ( 6.168 0.000 -7.834) 9.970 13.415 ( 0.985 0.000 -4.209) 4.323 13.704 ( 16.092 0.000 -0.961) 16.121 13.995 ( 9.925 0.000 8.879) 13.317 14.020 ( -15.727 0.000 -7.750) 17.533 14.166 ( -7.788 0.000 8.397) 11.452 14.525 ( 0.103 0.000 6.975) 6.975 14.595 ( -6.226 0.000 8.052) 10.178 15.382 ( 3.784 0.000 7.482) 8.384 15.421 ( -0.487 0.000 7.365) 7.381 15.593 ( 3.472 0.000 2.361) 4.199 15.664 ( -3.930 0.000 2.009) 4.413 15.985 ( 2.561 0.000 1.654) 3.049 16.065 ( -5.339 0.000 0.406) 5.354 16.140 ( 1.155 0.000 0.773) 1.390 16.176 ( -2.307 0.000 0.622) 2.390 16.726 ( 9.954 0.000 -1.788) 10.113 16.932 ( -11.417 0.000 -2.233) 11.633 17.152 ( 0.567 0.000 0.045) 0.568 17.164 ( -0.705 0.000 0.281) 0.760 17.896 ( 0.136 0.000 -0.142) 0.196 17.899 ( -0.192 0.000 -0.037) 0.196 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 0.000 16.713 27.948) 32.564 1.039 ( 0.000 22.452 25.445) 33.934 1.633 ( 0.000 47.279 25.395) 53.667 2.449 ( 0.000 -15.671 5.991) 16.777 2.895 ( 0.000 -9.002 3.430) 9.633 3.074 ( 0.000 10.112 -3.969) 10.863 3.505 ( 0.000 -0.932 0.120) 0.940 4.001 ( 0.000 4.129 -4.416) 6.045 4.031 ( 0.000 3.769 -9.775) 10.477 4.099 ( 0.000 -10.958 -5.766) 12.383 4.168 ( 0.000 -7.689 -1.928) 7.927 4.467 ( 0.000 -1.896 0.051) 1.896 4.720 ( 0.000 -5.393 11.278) 12.502 4.751 ( 0.000 4.055 10.763) 11.502 4.932 ( 0.000 -5.792 -1.412) 5.962 5.024 ( 0.000 -0.333 7.889) 7.896 5.117 ( 0.000 9.429 -14.548) 17.336 5.257 ( 0.000 17.234 5.517) 18.096 6.512 ( 0.000 -10.897 5.807) 12.348 7.091 ( 0.000 -1.742 -7.017) 7.230 7.140 ( 0.000 -8.962 -5.990) 10.780 7.217 ( 0.000 -2.304 -7.688) 8.026 7.224 ( 0.000 -1.328 -5.496) 5.654 7.348 ( 0.000 -6.460 -4.181) 7.695 7.597 ( 0.000 -1.605 -2.867) 3.286 7.650 ( 0.000 -3.983 -4.998) 6.391 7.864 ( 0.000 -1.398 5.855) 6.019 8.030 ( 0.000 1.168 -7.345) 7.438 8.223 ( 0.000 10.889 10.240) 14.948 8.454 ( 0.000 11.712 -1.445) 11.801 8.722 ( 0.000 4.354 -2.220) 4.887 9.167 ( 0.000 -2.923 -8.343) 8.840 9.498 ( 0.000 15.979 4.015) 16.476 10.707 ( 0.000 -1.689 -5.662) 5.909 10.959 ( 0.000 4.441 5.821) 7.322 11.547 ( 0.000 -5.597 0.863) 5.663 12.004 ( 0.000 3.157 3.077) 4.409 12.080 ( 0.000 0.850 3.015) 3.133 13.279 ( 0.000 5.315 2.659) 5.943 13.432 ( 0.000 2.664 2.625) 3.740 13.498 ( 0.000 7.017 6.960) 9.883 14.170 ( 0.000 -6.526 -8.421) 10.654 14.237 ( 0.000 2.081 -6.599) 6.919 14.444 ( 0.000 4.316 -1.582) 4.596 14.728 ( 0.000 0.605 3.615) 3.666 14.806 ( 0.000 -5.992 4.481) 7.482 15.191 ( 0.000 -11.807 6.757) 13.603 15.311 ( 0.000 -8.782 2.227) 9.060 15.479 ( 0.000 3.590 2.658) 4.467 15.901 ( 0.000 3.275 -5.563) 6.455 16.223 ( 0.000 -1.967 1.945) 2.766 16.238 ( 0.000 -1.017 -2.312) 2.526 16.269 ( 0.000 -0.099 0.249) 0.268 16.301 ( 0.000 -2.396 1.113) 2.642 16.415 ( 0.000 -15.476 11.731) 19.420 16.677 ( 0.000 -6.443 -3.553) 7.358 17.192 ( 0.000 4.822 0.062) 4.822 17.840 ( 0.000 -4.072 -0.026) 4.072 17.954 ( 0.000 18.856 -24.006) 30.526 17.973 ( 0.000 3.969 -1.760) 4.341 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 5.633 19.240 14.162) 24.546 1.273 ( 12.914 30.265 12.038) 35.038 2.064 ( 34.814 28.682 30.786) 54.612 2.495 ( 4.655 -14.883 4.009) 16.102 2.837 ( -4.121 -6.375 2.265) 7.922 3.086 ( 1.386 8.124 -4.219) 9.259 3.531 ( 1.009 -1.877 -0.866) 2.300 3.997 ( -1.148 0.429 -4.489) 4.653 4.044 ( -3.022 -0.902 -8.115) 8.707 4.058 ( -4.274 -8.936 -6.319) 11.749 4.148 ( 3.522 -1.184 -5.512) 6.647 4.375 ( -6.294 1.865 1.217) 6.676 4.586 ( -6.621 -3.021 2.212) 7.607 4.796 ( -4.910 -1.222 0.058) 5.060 4.983 ( -7.388 17.877 -7.477) 20.738 5.019 ( 9.944 3.315 6.569) 12.370 5.157 ( 5.659 -4.852 8.125) 11.026 5.248 ( 1.844 10.866 9.488) 14.543 6.559 ( 4.330 -11.019 5.022) 12.860 7.047 ( -6.285 -4.041 -5.445) 9.246 7.078 ( -4.802 -5.416 -5.652) 9.184 7.116 ( -9.373 -1.979 -7.472) 12.149 7.143 ( -7.777 -2.388 -4.595) 9.344 7.360 ( 0.799 -6.227 -4.817) 7.913 7.535 ( -7.079 0.097 -4.552) 8.417 7.566 ( -5.647 -1.039 -3.369) 6.658 7.847 ( -3.934 -5.781 4.621) 8.382 7.966 ( -6.290 -4.613 0.816) 7.843 8.224 ( 1.362 14.911 4.829) 15.733 8.370 ( -2.209 15.480 2.877) 15.899 8.789 ( 6.167 3.133 -1.764) 7.139 9.170 ( -0.969 -1.571 -0.748) 1.992 9.598 ( 9.523 13.092 -0.324) 16.192 10.758 ( 0.931 2.252 -6.506) 6.948 10.987 ( 2.880 -0.842 3.678) 4.747 11.521 ( -2.202 -4.082 0.639) 4.682 12.087 ( 1.688 1.049 2.394) 3.111 12.188 ( 17.567 0.560 0.367) 17.580 13.303 ( 2.499 4.424 2.760) 5.782 13.450 ( 0.602 4.671 4.448) 6.478 13.518 ( 3.227 5.318 5.348) 8.204 14.095 ( -8.883 -1.242 -10.651) 13.925 14.257 ( 2.429 -2.473 -7.130) 7.928 14.454 ( -0.372 4.075 -1.403) 4.325 14.733 ( 0.510 -2.590 3.060) 4.041 14.861 ( 3.780 -5.209 3.839) 7.494 15.200 ( -2.998 -9.035 5.265) 10.878 15.215 ( -4.230 -10.074 4.345) 11.758 15.490 ( 1.039 3.448 2.716) 4.511 15.884 ( -1.742 3.253 -4.548) 5.857 16.148 ( -7.029 -5.406 2.061) 9.103 16.220 ( -1.663 0.411 1.785) 2.474 16.266 ( -0.571 -0.240 0.657) 0.903 16.323 ( -3.820 -1.952 1.887) 4.687 16.340 ( 2.702 -3.986 0.802) 4.882 16.813 ( 8.092 -14.134 -1.168) 16.328 17.193 ( 0.116 4.876 0.022) 4.878 17.795 ( -10.878 14.963 -12.713) 22.446 17.846 ( -0.304 -3.251 -0.179) 3.270 17.978 ( -1.370 5.013 -3.587) 6.315 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 30.056 10.424 -6.004) 32.374 1.574 ( 18.492 22.749 7.562) 30.276 2.590 ( 8.283 -3.748 2.920) 9.549 2.687 ( 13.427 6.251 12.181) 19.176 2.859 ( 17.457 0.280 10.135) 20.188 3.131 ( 3.387 3.326 -4.435) 6.497 3.497 ( -4.865 -1.636 -2.160) 5.568 3.918 ( -7.826 -3.643 -6.731) 10.946 3.922 ( -5.571 -7.463 -5.686) 10.912 3.985 ( -4.437 0.453 -1.873) 4.837 4.160 ( -7.120 -0.170 -6.267) 9.486 4.424 ( 14.376 3.633 -5.279) 15.740 4.471 ( -9.976 -3.141 -4.494) 11.383 4.692 ( -0.779 0.042 -3.991) 4.066 4.799 ( -8.255 13.909 -5.810) 17.186 5.029 ( -5.761 22.733 1.357) 23.491 5.302 ( 7.519 1.549 13.287) 15.346 5.516 ( 23.360 -4.501 16.656) 29.041 6.619 ( -2.033 -8.613 -0.613) 8.871 6.828 ( -14.702 -2.143 -5.316) 15.780 6.895 ( -12.944 -2.258 -3.699) 13.650 6.939 ( -8.678 -6.879 -4.275) 11.870 7.042 ( -2.157 -1.771 -3.793) 4.709 7.338 ( -4.848 -1.056 -2.583) 5.594 7.405 ( -4.731 -2.580 -3.778) 6.581 7.464 ( -4.770 -1.551 -4.309) 6.613 7.681 ( -12.416 -7.812 0.700) 14.686 7.817 ( -8.264 -6.941 4.605) 11.734 8.297 ( 5.711 13.629 3.122) 15.104 8.410 ( 4.489 13.509 1.896) 14.361 8.924 ( 7.312 1.742 -0.183) 7.519 9.164 ( 0.662 -0.537 6.009) 6.069 9.786 ( 9.407 11.740 -2.091) 15.189 10.708 ( -5.564 7.899 -2.239) 9.918 11.067 ( 5.733 -4.832 1.653) 7.678 11.481 ( -1.887 -3.221 -0.459) 3.761 12.149 ( 5.581 2.401 0.134) 6.077 12.604 ( 23.775 -4.145 -4.262) 24.507 13.372 ( 4.675 2.584 3.334) 6.296 13.447 ( -0.244 7.170 3.356) 7.920 13.613 ( 4.484 1.914 4.970) 6.962 13.861 ( -13.822 3.656 -12.025) 18.681 14.285 ( -0.227 -3.164 -6.415) 7.156 14.419 ( -2.949 3.422 1.591) 4.789 14.721 ( -3.085 -4.222 4.251) 6.739 14.838 ( -7.537 -2.202 -1.711) 8.036 15.110 ( 1.381 -7.769 9.085) 12.033 15.245 ( 2.319 -11.525 6.711) 13.536 15.517 ( 1.806 2.906 2.691) 4.353 15.839 ( -2.914 3.230 -2.200) 4.875 16.014 ( -6.123 -4.605 2.759) 8.143 16.184 ( -1.901 0.961 1.649) 2.694 16.228 ( -3.526 -1.725 0.406) 3.947 16.277 ( -1.305 1.118 -0.646) 1.836 16.412 ( 4.461 -2.886 -0.613) 5.348 16.913 ( 2.365 -14.118 -0.869) 14.341 17.197 ( 0.343 5.045 -0.032) 5.056 17.580 ( -10.742 12.878 -6.184) 17.874 17.851 ( 0.338 -4.172 0.163) 4.189 17.939 ( -2.354 2.293 -1.566) 3.640 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 29.755 5.063 -5.330) 30.650 1.956 ( 20.709 11.220 3.622) 23.830 2.709 ( 4.825 3.530 -2.736) 6.575 2.763 ( 1.931 -2.046 2.530) 3.784 3.213 ( 5.075 -2.659 -4.598) 7.347 3.256 ( 10.224 0.380 2.402) 10.509 3.361 ( -7.499 -6.088 -0.875) 9.699 3.730 ( -11.776 -6.740 -1.542) 13.655 3.843 ( -4.783 1.766 -3.715) 6.309 3.924 ( 1.905 0.889 0.785) 2.244 3.991 ( -9.351 0.416 -4.786) 10.513 4.215 ( -13.016 -3.655 -0.528) 13.530 4.615 ( -3.154 13.496 -2.475) 14.079 4.796 ( 5.071 17.864 -4.495) 19.106 4.825 ( 18.796 4.504 -10.391) 21.945 4.983 ( 7.512 11.508 -6.233) 15.090 5.504 ( 14.510 4.195 12.909) 19.869 5.960 ( 19.044 -4.118 13.574) 23.746 6.358 ( -20.524 -4.277 -10.058) 23.253 6.505 ( -18.461 0.390 -6.905) 19.714 6.617 ( -16.573 -0.437 -0.613) 16.590 6.903 ( 1.930 -9.538 -1.283) 9.816 7.023 ( -0.311 -3.575 1.958) 4.088 7.230 ( -5.065 1.354 -3.171) 6.127 7.270 ( -9.045 -2.053 1.680) 9.426 7.372 ( -8.614 -6.048 -2.379) 10.790 7.490 ( -3.273 -7.719 -1.940) 8.606 7.673 ( -6.609 -7.980 0.846) 10.396 8.412 ( 5.720 11.316 2.630) 12.950 8.492 ( 3.473 11.643 1.656) 12.263 9.053 ( 6.042 0.727 1.976) 6.399 9.185 ( 1.071 -0.491 6.960) 7.059 9.961 ( 9.337 11.623 -0.575) 14.920 10.562 ( -9.389 9.614 -0.109) 13.439 11.196 ( 7.135 -5.737 0.641) 9.178 11.446 ( -2.006 -3.747 -1.037) 4.375 12.316 ( 12.094 3.852 -3.064) 13.057 13.040 ( 20.756 -6.611 -8.676) 23.447 13.395 ( -13.774 1.848 -6.339) 15.275 13.476 ( 4.498 3.397 0.523) 5.661 13.497 ( -3.168 6.264 0.150) 7.021 13.810 ( 4.815 0.957 4.248) 6.492 14.234 ( -5.068 -1.297 -6.289) 8.180 14.347 ( -4.636 3.825 4.392) 7.444 14.583 ( -8.422 -3.048 4.039) 9.825 14.704 ( -6.050 -1.245 4.897) 7.883 15.195 ( 5.589 -7.951 8.667) 13.022 15.289 ( 1.983 -10.736 7.351) 13.162 15.559 ( 2.588 2.244 2.516) 4.250 15.773 ( -3.967 3.087 0.366) 5.040 15.933 ( -2.067 -4.069 2.322) 5.121 16.137 ( -4.880 -2.009 -0.303) 5.286 16.165 ( -0.826 1.739 1.307) 2.327 16.250 ( -1.746 2.343 0.060) 2.922 16.514 ( 6.413 -3.926 -1.198) 7.614 16.907 ( -2.897 -12.014 -0.934) 12.394 17.207 ( 0.756 5.467 -0.057) 5.519 17.398 ( -8.049 10.595 -2.545) 13.547 17.857 ( 0.292 -3.965 -0.003) 3.975 17.898 ( -1.796 -0.280 -0.719) 1.955 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 18.268 1.217 2.175) 18.438 2.317 ( 15.054 0.733 -2.465) 15.272 2.712 ( -3.209 6.671 -1.857) 7.632 2.775 ( -4.229 9.484 0.628) 10.403 3.195 ( -0.890 -5.913 -8.395) 10.306 3.276 ( -2.237 -2.462 -8.155) 8.807 3.373 ( 3.799 -14.300 -0.353) 14.800 3.501 ( -10.105 -10.027 1.677) 14.334 3.768 ( -1.236 1.645 -3.559) 4.110 3.829 ( -6.903 0.991 -4.577) 8.342 3.986 ( 2.023 -0.005 2.546) 3.252 4.039 ( -5.149 -2.580 0.907) 5.830 4.634 ( 3.928 25.034 0.643) 25.349 4.723 ( -5.102 28.912 1.070) 29.378 5.309 ( 26.069 0.665 -13.233) 29.242 5.354 ( 27.876 3.188 -10.079) 29.813 5.825 ( -24.970 -0.478 -10.343) 27.032 5.836 ( 13.194 3.733 6.697) 15.260 5.933 ( -20.835 1.429 -6.774) 21.955 6.256 ( -20.700 1.202 4.283) 21.173 6.544 ( 18.447 -5.698 6.882) 20.497 6.854 ( -10.771 -4.454 0.481) 11.665 7.025 ( 2.079 -8.544 3.135) 9.336 7.108 ( -6.301 -3.017 1.701) 7.190 7.179 ( -0.321 -0.617 -1.127) 1.324 7.222 ( -5.035 -5.489 1.002) 7.516 7.498 ( 2.520 -7.500 -3.592) 8.689 7.568 ( -4.538 -8.530 -2.404) 9.957 8.500 ( 3.229 10.588 2.211) 11.289 8.529 ( 0.228 10.798 1.887) 10.964 9.147 ( 3.631 0.043 4.025) 5.421 9.189 ( -0.849 -0.343 5.774) 5.846 10.152 ( 10.728 11.151 0.612) 15.485 10.363 ( -11.102 10.453 0.717) 15.265 11.318 ( 5.350 -5.697 -0.241) 7.819 11.398 ( -3.160 -4.796 -0.851) 5.806 12.607 ( 18.209 4.463 -6.633) 19.887 12.992 ( -21.283 3.468 -9.886) 23.722 13.385 ( 11.568 -1.295 -10.234) 15.499 13.488 ( -0.796 6.422 -4.630) 7.957 13.616 ( 9.238 -4.271 4.068) 10.960 13.810 ( -7.370 -8.777 1.351) 11.540 14.163 ( 0.843 5.377 0.597) 5.475 14.245 ( -5.761 4.782 4.833) 8.912 14.508 ( 0.875 -0.914 8.062) 8.161 14.584 ( -6.038 -0.550 8.572) 10.500 15.283 ( 3.162 -8.862 7.389) 11.963 15.311 ( 0.114 -9.801 7.501) 12.342 15.617 ( 3.549 2.100 2.367) 4.755 15.692 ( -4.265 2.554 1.884) 5.317 15.942 ( 2.990 -3.439 1.680) 4.857 16.031 ( -5.676 -2.748 0.588) 6.333 16.174 ( 1.446 2.781 0.793) 3.233 16.211 ( -2.184 2.903 0.470) 3.663 16.655 ( 8.099 -5.798 -1.341) 10.050 16.807 ( -7.246 -8.863 -1.204) 11.511 17.230 ( 1.723 6.434 -0.148) 6.662 17.282 ( -4.122 8.367 -0.721) 9.355 17.862 ( 0.354 -3.396 -0.149) 3.417 17.873 ( -0.872 -2.241 -0.326) 2.427 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.000 14.604 27.769) 31.375 1.583 ( 0.000 26.384 15.818) 30.762 2.061 ( 0.000 -19.264 10.733) 22.052 2.586 ( 0.000 -9.871 5.736) 11.417 2.739 ( 0.000 39.927 7.039) 40.543 3.330 ( 0.000 13.150 -1.850) 13.279 3.503 ( 0.000 1.265 -3.487) 3.709 3.791 ( 0.000 -12.877 -5.899) 14.164 3.972 ( 0.000 -10.947 1.652) 11.071 4.076 ( 0.000 -4.004 -10.372) 11.118 4.173 ( 0.000 8.760 -3.458) 9.418 4.329 ( 0.000 -7.041 7.012) 9.937 4.555 ( 0.000 -6.056 3.533) 7.011 4.751 ( 0.000 -10.367 -3.274) 10.872 4.863 ( 0.000 4.797 8.932) 10.139 5.005 ( 0.000 -1.636 8.101) 8.264 5.402 ( 0.000 15.021 -5.058) 15.850 5.795 ( 0.000 28.014 1.273) 28.043 6.205 ( 0.000 -14.808 7.142) 16.441 6.959 ( 0.000 -11.003 -0.982) 11.046 7.040 ( 0.000 -2.525 -6.772) 7.227 7.114 ( 0.000 -9.701 -4.935) 10.884 7.173 ( 0.000 -1.448 -7.535) 7.673 7.208 ( 0.000 -3.546 -6.977) 7.827 7.563 ( 0.000 -1.258 -5.180) 5.330 7.571 ( 0.000 -2.377 -5.789) 6.258 7.844 ( 0.000 -0.289 6.419) 6.425 7.933 ( 0.000 -5.261 2.429) 5.795 8.517 ( 0.000 12.578 -1.250) 12.640 8.699 ( 0.000 10.992 0.913) 11.030 8.790 ( 0.000 0.854 -3.081) 3.197 9.069 ( 0.000 -6.120 -3.816) 7.212 9.903 ( 0.000 19.809 1.062) 19.837 10.577 ( 0.000 -10.045 -2.918) 10.461 11.128 ( 0.000 9.541 1.335) 9.634 11.439 ( 0.000 -4.958 -0.530) 4.987 12.074 ( 0.000 2.797 3.137) 4.202 12.101 ( 0.000 0.893 2.960) 3.091 13.441 ( 0.000 8.848 4.305) 9.839 13.511 ( 0.000 4.143 1.986) 4.594 13.729 ( 0.000 14.196 6.657) 15.679 14.043 ( 0.000 -4.536 -9.445) 10.477 14.273 ( 0.000 0.337 -8.761) 8.767 14.481 ( 0.000 -1.894 6.307) 6.585 14.650 ( 0.000 -7.392 7.647) 10.636 14.726 ( 0.000 -5.225 -3.184) 6.119 14.909 ( 0.000 -7.831 6.336) 10.073 15.115 ( 0.000 -8.716 0.755) 8.749 15.590 ( 0.000 6.836 2.678) 7.342 15.973 ( 0.000 -1.300 -4.541) 4.724 16.047 ( 0.000 -5.577 3.512) 6.591 16.203 ( 0.000 -2.483 -3.409) 4.217 16.259 ( 0.000 -0.153 2.933) 2.937 16.266 ( 0.000 -0.218 0.444) 0.495 16.344 ( 0.000 0.946 0.392) 1.025 16.519 ( 0.000 -7.389 -1.312) 7.504 17.335 ( 0.000 8.148 0.074) 8.148 17.710 ( 0.000 -7.693 0.199) 7.696 18.068 ( 0.000 4.333 -4.283) 6.093 18.146 ( 0.000 2.623 -14.109) 14.350 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 4.102 20.425 12.409) 24.249 1.786 ( 13.557 20.937 15.744) 29.496 2.111 ( 5.777 -19.668 6.338) 21.457 2.607 ( 1.691 -13.944 6.079) 15.305 2.888 ( 14.848 39.178 8.779) 42.807 3.302 ( -2.692 11.129 -2.866) 11.803 3.515 ( 0.576 1.440 -2.682) 3.098 3.762 ( -2.191 -11.040 -5.805) 12.664 3.913 ( -5.527 -10.001 0.582) 11.441 4.119 ( 3.234 -3.034 -9.583) 10.559 4.171 ( -1.060 6.556 -4.454) 7.996 4.357 ( 3.079 -1.342 3.910) 5.155 4.516 ( -3.068 -3.498 -1.169) 4.797 4.682 ( -5.256 -7.895 -2.180) 9.732 4.983 ( 9.753 -2.626 11.902) 15.610 5.021 ( 1.617 -3.272 4.708) 5.957 5.417 ( 2.853 18.119 0.892) 18.364 5.772 ( -2.670 30.070 1.774) 30.240 6.245 ( 4.096 -16.603 6.373) 18.250 6.893 ( -6.504 -10.780 -1.442) 12.673 7.010 ( -3.241 -2.646 -6.004) 7.318 7.043 ( -8.316 -4.661 -7.694) 12.251 7.103 ( -7.030 -1.074 -5.292) 8.865 7.200 ( 0.655 -7.371 -6.687) 9.974 7.511 ( -5.623 -1.217 -4.493) 7.300 7.526 ( -4.179 -1.857 -4.832) 6.653 7.770 ( -8.036 -1.812 3.160) 8.823 7.839 ( -8.347 -5.252 4.645) 10.901 8.539 ( 2.095 12.888 -0.897) 13.088 8.671 ( -0.731 12.089 1.477) 12.201 8.841 ( 4.600 0.799 -1.576) 4.927 9.082 ( 0.825 -6.196 -0.159) 6.253 9.975 ( 7.132 19.685 0.090) 20.938 10.663 ( 7.238 -10.222 -4.041) 13.161 11.100 ( -2.854 9.277 1.463) 9.816 11.424 ( -1.521 -5.092 -0.925) 5.394 12.121 ( 3.214 2.092 2.663) 4.669 12.195 ( 11.347 -0.357 1.648) 11.471 13.435 ( 0.111 7.301 3.485) 8.091 13.561 ( 4.209 4.222 3.036) 6.690 13.719 ( -1.000 13.332 4.639) 14.152 14.053 ( 0.075 -0.989 -8.188) 8.247 14.240 ( -2.681 -0.638 -9.531) 9.921 14.500 ( 0.670 -1.184 4.264) 4.476 14.642 ( -0.783 -6.301 4.601) 7.841 14.754 ( 2.657 -5.492 1.032) 6.188 14.909 ( 0.464 -11.078 7.285) 13.267 15.035 ( -7.543 -7.770 1.343) 10.912 15.594 ( 0.348 6.324 2.782) 6.918 15.946 ( -2.870 -4.032 -1.728) 5.242 16.009 ( -3.136 -0.239 0.779) 3.240 16.205 ( -0.569 -3.183 -2.568) 4.129 16.246 ( -1.398 -0.138 2.149) 2.567 16.267 ( 0.635 -0.600 -0.062) 0.876 16.348 ( 0.605 1.587 0.703) 1.838 16.568 ( 4.143 -9.385 -0.506) 10.271 17.337 ( 0.237 8.194 0.041) 8.197 17.712 ( 0.268 -7.671 0.137) 7.677 17.999 ( -7.779 5.468 -6.711) 11.638 18.076 ( -5.448 2.568 -8.177) 10.156 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 21.411 16.436 -2.970) 27.155 2.009 ( 10.272 17.000 8.597) 21.643 2.293 ( 12.765 -16.621 0.839) 20.973 2.657 ( 3.744 -9.556 4.770) 11.318 3.173 ( 10.175 16.801 3.662) 19.980 3.242 ( -3.065 5.920 -4.447) 8.014 3.477 ( -5.574 1.071 -0.999) 5.763 3.772 ( -5.266 -8.122 -3.270) 10.217 3.792 ( 3.654 -0.165 0.638) 3.713 4.089 ( -6.150 6.948 -2.683) 9.658 4.138 ( -3.914 -2.535 -5.930) 7.544 4.387 ( -10.458 -4.945 -4.536) 12.426 4.508 ( 12.633 3.956 -5.595) 14.372 4.662 ( 5.620 -2.367 -4.582) 7.627 4.968 ( -1.135 3.832 0.703) 4.058 5.323 ( 21.443 -8.449 14.525) 27.243 5.524 ( 7.686 17.734 8.650) 21.176 5.696 ( -4.758 31.052 2.530) 31.516 6.343 ( 4.782 -16.879 3.849) 17.961 6.724 ( -11.142 -8.791 -4.091) 14.770 6.819 ( -14.117 -2.641 -7.034) 15.991 6.856 ( -12.361 -2.516 -2.213) 12.807 7.006 ( -2.383 -0.755 -5.912) 6.418 7.225 ( 1.304 -9.272 -5.506) 10.862 7.378 ( -7.570 -0.907 -3.088) 8.226 7.411 ( -7.829 -2.918 -3.976) 9.253 7.537 ( -15.250 -2.925 0.925) 15.556 7.668 ( -9.301 -6.234 5.012) 12.268 8.596 ( 3.884 12.902 1.034) 13.513 8.699 ( 3.044 12.150 1.207) 12.583 8.943 ( 5.602 -0.623 0.225) 5.641 9.104 ( 1.616 -5.027 4.564) 6.979 10.135 ( 8.731 18.991 -1.081) 20.929 10.801 ( 6.304 -6.276 -4.529) 9.982 11.026 ( -4.302 6.760 2.275) 8.329 11.385 ( -2.563 -5.833 -1.592) 6.567 12.224 ( 8.060 4.633 0.577) 9.314 12.487 ( 18.096 -6.417 -1.200) 19.237 13.456 ( 2.029 5.239 2.945) 6.344 13.633 ( 0.811 -0.388 2.723) 2.868 13.688 ( -1.229 13.995 -0.356) 14.054 13.999 ( -5.834 9.814 -6.597) 13.186 14.203 ( -0.938 -5.321 -8.140) 9.770 14.475 ( -3.412 -0.477 1.361) 3.705 14.613 ( -2.853 -4.215 5.711) 7.650 14.776 ( -3.208 -3.790 -0.066) 4.966 14.913 ( -0.434 -8.738 9.527) 12.935 14.941 ( 2.314 -14.344 6.949) 16.105 15.602 ( 0.610 5.022 2.786) 5.775 15.875 ( -3.849 -5.925 1.692) 7.265 15.946 ( -3.555 4.556 -1.198) 5.902 16.165 ( -3.581 -3.472 -1.405) 5.182 16.219 ( -0.909 1.531 1.616) 2.404 16.294 ( 1.771 -0.456 -1.441) 2.328 16.368 ( 1.578 0.422 1.218) 2.038 16.639 ( 2.695 -11.118 0.063) 11.441 17.345 ( 0.597 8.314 -0.034) 8.335 17.719 ( 0.236 -7.231 -0.221) 7.238 17.806 ( -10.774 7.618 -5.341) 14.235 17.970 ( -5.659 0.021 -3.368) 6.586 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 24.164 10.070 -6.060) 26.871 2.202 ( 10.239 10.837 3.006) 15.209 2.561 ( 14.116 -11.609 -0.312) 18.279 2.749 ( 5.873 -5.683 1.061) 8.241 3.164 ( -5.441 -2.257 -5.169) 7.837 3.232 ( -3.026 0.970 -4.143) 5.221 3.334 ( -7.178 1.977 -1.676) 7.631 3.583 ( -11.454 -7.089 -1.632) 13.569 3.912 ( -2.328 4.786 -1.451) 5.516 3.978 ( -1.098 3.626 1.323) 4.013 4.014 ( -7.589 1.059 -3.344) 8.360 4.152 ( -11.524 -3.078 -1.520) 12.024 4.839 ( 19.697 4.130 -11.161) 23.013 4.899 ( 20.588 3.409 -8.022) 22.357 5.059 ( 10.606 15.379 -1.490) 18.741 5.554 ( -4.393 29.508 0.103) 29.833 5.698 ( 11.380 14.377 11.966) 21.895 5.813 ( 22.514 -8.189 14.495) 28.001 6.262 ( -16.909 -5.325 -9.004) 19.883 6.490 ( -19.138 -0.895 -5.438) 19.916 6.598 ( -0.479 -15.119 -0.344) 15.131 6.630 ( -10.276 -2.079 2.518) 10.782 6.949 ( -5.468 -3.351 -1.895) 6.687 7.163 ( -13.211 -13.436 -0.739) 18.857 7.224 ( -6.662 -1.544 0.491) 6.856 7.280 ( -8.176 2.346 -1.159) 8.585 7.302 ( -0.619 -6.656 -5.578) 8.707 7.499 ( -7.785 -7.319 1.357) 10.771 8.680 ( 4.582 12.360 2.184) 13.362 8.760 ( 2.707 11.946 1.484) 12.339 9.043 ( 4.702 -2.300 2.064) 5.627 9.136 ( 1.470 -4.233 5.521) 7.110 10.299 ( 8.647 18.417 -0.889) 20.365 10.816 ( -5.933 11.661 -2.905) 13.402 11.021 ( 5.003 -9.438 1.127) 10.742 11.326 ( -3.625 -7.467 -1.820) 8.498 12.435 ( 13.953 7.240 -2.603) 15.933 12.849 ( 19.283 -10.455 -4.570) 22.406 13.442 ( -11.112 2.922 -4.692) 12.411 13.541 ( -1.068 1.547 -1.329) 2.302 13.716 ( 1.411 12.572 1.277) 12.715 13.881 ( -6.175 7.022 -2.724) 9.740 14.191 ( -0.423 -3.541 -2.840) 4.559 14.365 ( -7.464 -5.188 0.571) 9.108 14.552 ( -1.960 3.032 7.465) 8.292 14.690 ( -4.147 0.669 6.390) 7.647 14.973 ( 3.900 -12.131 7.587) 14.830 14.999 ( 3.241 -14.232 8.794) 17.041 15.624 ( 1.841 3.751 2.545) 4.892 15.825 ( -0.874 -4.826 2.107) 5.338 15.867 ( -4.751 4.690 0.348) 6.685 16.075 ( -5.656 -3.672 -0.294) 6.750 16.219 ( 0.975 3.186 0.905) 3.453 16.315 ( -0.017 3.474 -0.601) 3.525 16.418 ( 3.931 -4.138 0.148) 5.709 16.658 ( -0.888 -10.834 -0.014) 10.870 17.362 ( 1.275 8.499 -0.141) 8.596 17.609 ( -8.761 8.780 -2.940) 12.747 17.734 ( 0.683 -7.177 -0.019) 7.209 17.868 ( -4.753 -2.810 -1.685) 5.773 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 13.331 5.382 -2.460) 14.585 2.383 ( 7.377 5.736 -0.013) 9.345 2.750 ( 6.313 -6.073 -2.568) 9.129 2.906 ( 4.888 -14.972 -3.704) 16.179 2.986 ( -5.646 7.561 -4.017) 10.256 3.154 ( -7.270 -0.979 -0.836) 7.383 3.258 ( 0.874 -2.568 -5.205) 5.870 3.369 ( -9.593 -4.730 -1.671) 10.826 3.828 ( -2.215 3.953 -1.007) 4.642 3.865 ( -5.795 2.827 -3.317) 7.251 3.971 ( -0.796 -1.622 0.442) 1.860 4.003 ( -4.328 -1.831 0.296) 4.709 5.206 ( 13.495 20.532 -7.087) 25.571 5.298 ( 15.149 11.369 -10.579) 21.695 5.367 ( 16.253 12.284 -7.355) 21.660 5.509 ( 11.742 19.192 -2.676) 22.658 5.811 ( -21.926 -0.416 -10.476) 24.304 5.966 ( -21.281 3.925 -3.154) 21.868 5.987 ( 14.258 9.340 8.830) 19.196 6.330 ( -18.134 5.312 5.009) 19.548 6.365 ( 18.796 -11.015 6.747) 22.807 6.684 ( 0.634 -14.778 2.810) 15.056 6.765 ( -9.911 -11.469 5.711) 16.198 6.880 ( -12.684 -18.189 4.823) 22.693 7.161 ( -0.130 0.293 -1.635) 1.667 7.189 ( -2.817 1.617 -2.959) 4.394 7.325 ( 2.153 -7.466 -4.564) 9.011 7.384 ( -4.320 -7.474 -2.409) 8.962 8.756 ( 3.044 12.088 2.431) 12.700 8.787 ( -0.074 12.026 2.129) 12.213 9.116 ( 2.860 -3.453 3.512) 5.695 9.148 ( -0.456 -3.913 4.687) 6.123 10.472 ( 9.532 17.362 -0.640) 19.817 10.657 ( -9.572 15.693 -1.018) 18.410 11.137 ( 6.187 -11.151 -0.810) 12.778 11.244 ( -4.973 -9.577 -1.536) 10.899 12.745 ( 18.165 8.326 -6.102) 20.893 13.098 ( -15.187 5.725 -9.311) 18.711 13.228 ( 13.722 -10.441 -6.638) 18.476 13.495 ( -8.959 -8.205 -6.744) 13.894 13.728 ( 0.974 12.530 2.101) 12.743 13.773 ( -3.769 7.994 4.006) 9.703 14.197 ( 1.329 -3.338 1.395) 3.854 14.248 ( -4.233 -5.826 2.047) 7.487 14.554 ( 1.971 6.176 8.942) 11.045 14.614 ( -3.862 4.342 9.152) 10.841 15.030 ( 2.029 -13.869 7.021) 15.677 15.043 ( 0.888 -13.682 8.259) 16.006 15.678 ( 3.920 3.517 2.222) 5.716 15.768 ( -5.193 4.270 1.572) 6.905 15.856 ( 3.874 -4.330 1.818) 6.088 15.958 ( -6.247 -3.913 0.867) 7.423 16.252 ( 2.224 4.485 0.567) 5.038 16.294 ( -1.900 4.910 0.289) 5.273 16.511 ( 5.395 -7.034 -0.558) 8.882 16.607 ( -4.217 -9.227 -0.370) 10.151 17.398 ( 2.707 8.774 -0.409) 9.192 17.473 ( -5.398 9.031 -1.191) 10.588 17.754 ( 1.467 -6.578 -0.312) 6.747 17.795 ( -2.922 -5.121 -0.780) 5.948 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 0.000 -18.002 18.326) 25.689 1.641 ( 0.000 18.002 18.326) 25.689 2.146 ( 0.000 -24.012 10.973) 26.401 2.146 ( 0.000 24.012 10.973) 26.401 3.501 ( 0.000 -12.312 -5.461) 13.469 3.501 ( 0.000 12.312 -5.461) 13.469 3.586 ( 0.000 -6.219 -5.200) 8.106 3.586 ( 0.000 6.219 -5.200) 8.106 3.783 ( 0.000 -5.243 4.936) 7.201 3.783 ( 0.000 5.243 4.936) 7.201 4.304 ( 0.000 -0.504 1.225) 1.325 4.304 ( 0.000 0.504 1.225) 1.325 4.539 ( 0.000 -6.821 -3.856) 7.835 4.539 ( 0.000 6.821 -3.856) 7.835 4.951 ( 0.000 -3.364 8.546) 9.184 4.951 ( 0.000 3.364 8.546) 9.184 5.753 ( 0.000 -17.480 1.544) 17.548 5.753 ( 0.000 17.480 1.544) 17.548 6.515 ( 0.000 -27.963 3.414) 28.171 6.515 ( 0.000 27.963 3.414) 28.171 7.011 ( 0.000 -0.577 -8.135) 8.155 7.011 ( 0.000 0.577 -8.135) 8.155 7.165 ( 0.000 -0.781 -6.415) 6.462 7.165 ( 0.000 0.781 -6.415) 6.462 7.549 ( 0.000 -0.020 -6.314) 6.314 7.549 ( 0.000 0.020 -6.314) 6.314 7.858 ( 0.000 -1.831 5.405) 5.707 7.858 ( 0.000 1.831 5.405) 5.707 8.729 ( 0.000 -6.708 -3.526) 7.578 8.729 ( 0.000 6.708 -3.526) 7.578 8.911 ( 0.000 -8.597 0.327) 8.603 8.911 ( 0.000 8.597 0.327) 8.603 10.294 ( 0.000 -16.074 -0.914) 16.100 10.294 ( 0.000 16.074 -0.914) 16.100 11.313 ( 0.000 -7.223 -0.854) 7.273 11.313 ( 0.000 7.223 -0.854) 7.273 12.109 ( 0.000 -0.420 3.028) 3.057 12.109 ( 0.000 0.420 3.028) 3.057 13.566 ( 0.000 -0.833 4.196) 4.277 13.566 ( 0.000 0.833 4.196) 4.277 13.987 ( 0.000 -4.300 -4.389) 6.145 13.987 ( 0.000 4.300 -4.389) 6.145 14.308 ( 0.000 -9.019 1.189) 9.097 14.308 ( 0.000 9.019 1.189) 9.097 14.579 ( 0.000 -1.723 5.499) 5.763 14.579 ( 0.000 1.723 5.499) 5.763 14.954 ( 0.000 -6.250 -0.265) 6.256 14.954 ( 0.000 6.250 -0.265) 6.256 15.772 ( 0.000 -9.998 2.429) 10.289 15.772 ( 0.000 9.998 2.429) 10.289 16.123 ( 0.000 -4.931 -4.528) 6.694 16.123 ( 0.000 4.931 -4.528) 6.694 16.261 ( 0.000 -0.185 1.253) 1.266 16.261 ( 0.000 0.185 1.253) 1.266 16.394 ( 0.000 -3.924 0.517) 3.958 16.394 ( 0.000 3.924 0.517) 3.958 17.525 ( 0.000 -9.168 0.127) 9.169 17.525 ( 0.000 9.168 0.127) 9.169 18.142 ( 0.000 -2.253 -7.977) 8.289 18.142 ( 0.000 2.253 -7.977) 8.289 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 5.716 -20.057 10.320) 23.269 1.681 ( 5.716 20.057 10.320) 23.269 2.230 ( 7.367 -20.035 10.811) 23.928 2.230 ( 7.367 20.035 10.811) 23.928 3.428 ( -5.247 -5.691 -7.077) 10.488 3.428 ( -5.247 5.691 -7.077) 10.488 3.640 ( 0.252 -7.051 -1.620) 7.240 3.640 ( 0.252 7.051 -1.620) 7.240 3.829 ( 7.107 -16.680 2.839) 18.352 3.829 ( 7.107 16.680 2.839) 18.352 4.328 ( 1.055 -4.940 -2.252) 5.531 4.328 ( 1.055 4.940 -2.252) 5.531 4.512 ( -1.288 -5.757 -2.270) 6.321 4.512 ( -1.288 5.757 -2.270) 6.321 4.971 ( 2.655 -1.303 8.564) 9.060 4.971 ( 2.655 1.303 8.564) 9.060 5.806 ( 5.242 -18.275 3.404) 19.315 5.806 ( 5.242 18.275 3.404) 19.315 6.470 ( -4.500 -27.366 2.594) 27.855 6.470 ( -4.500 27.366 2.594) 27.855 6.980 ( -4.059 -0.450 -8.007) 8.989 6.980 ( -4.059 0.450 -8.007) 8.989 7.108 ( -4.831 -1.753 -6.396) 8.205 7.108 ( -4.831 1.753 -6.396) 8.205 7.502 ( -4.832 -0.394 -5.376) 7.239 7.502 ( -4.832 0.394 -5.376) 7.239 7.767 ( -8.801 -1.564 4.559) 10.034 7.767 ( -8.801 1.564 4.559) 10.034 8.752 ( 2.282 -6.262 -3.207) 7.396 8.752 ( 2.282 6.262 -3.207) 7.396 8.922 ( 1.455 -8.330 2.521) 8.824 8.922 ( 1.455 8.330 2.521) 8.824 10.372 ( 7.220 -16.492 -1.419) 18.059 10.372 ( 7.220 16.492 -1.419) 18.059 11.290 ( -2.324 -7.656 -1.131) 8.080 11.290 ( -2.324 7.656 -1.131) 8.080 12.168 ( 6.214 -1.988 2.428) 6.961 12.168 ( 6.214 1.988 2.428) 6.961 13.569 ( 0.339 -3.909 3.514) 5.267 13.569 ( 0.339 3.909 3.514) 5.267 13.999 ( 0.883 -9.396 -4.240) 10.346 13.999 ( 0.883 9.396 -4.240) 10.346 14.309 ( -0.142 -11.860 -0.102) 11.862 14.309 ( -0.142 11.860 -0.102) 11.862 14.602 ( 2.101 -3.489 5.784) 7.074 14.602 ( 2.101 3.489 5.784) 7.074 14.897 ( -5.218 -4.830 1.179) 7.207 14.897 ( -5.218 4.830 1.179) 7.207 15.759 ( -1.290 -8.935 2.579) 9.389 15.759 ( -1.290 8.935 2.579) 9.389 16.111 ( -1.352 -5.327 -4.028) 6.814 16.111 ( -1.352 5.327 -4.028) 6.814 16.255 ( -0.378 -0.598 1.131) 1.334 16.255 ( -0.378 0.598 1.131) 1.334 16.413 ( 1.792 -4.942 0.669) 5.299 16.413 ( 1.792 4.942 0.669) 5.299 17.528 ( 0.293 -9.178 0.091) 9.183 17.528 ( 0.293 9.178 0.091) 9.183 18.079 ( -6.221 -2.001 -6.886) 9.493 18.079 ( -6.221 2.001 -6.886) 9.493 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 15.213 -17.926 -0.851) 23.527 1.886 ( 15.213 17.926 -0.851) 23.527 2.382 ( 8.093 -15.081 8.333) 19.036 2.382 ( 8.093 15.081 8.333) 19.036 3.316 ( -6.469 -0.247 -7.946) 10.249 3.316 ( -6.469 0.247 -7.946) 10.249 3.574 ( -5.856 -8.154 0.629) 10.059 3.574 ( -5.856 8.154 0.629) 10.059 3.993 ( 6.199 -11.350 -0.666) 12.949 3.993 ( 6.199 11.350 -0.666) 12.949 4.253 ( -8.617 -7.370 -3.768) 11.948 4.253 ( -8.617 7.370 -3.768) 11.948 4.593 ( 10.540 -3.853 -5.567) 12.527 4.593 ( 10.540 3.853 -5.567) 12.527 5.104 ( 12.856 -9.587 10.829) 19.350 5.104 ( 12.856 9.587 10.829) 19.350 5.930 ( 7.105 -19.297 5.871) 21.386 5.930 ( 7.105 19.297 5.871) 21.386 6.357 ( -6.958 -25.816 0.145) 26.738 6.357 ( -6.958 25.816 0.145) 26.738 6.808 ( -13.371 -1.209 -4.715) 14.229 6.808 ( -13.371 1.209 -4.715) 14.229 7.044 ( -2.224 -5.030 -7.996) 9.705 7.044 ( -2.224 5.030 -7.996) 9.705 7.371 ( -8.561 -0.779 -3.668) 9.346 7.371 ( -8.561 0.779 -3.668) 9.346 7.559 ( -11.841 -3.697 3.456) 12.877 7.559 ( -11.841 3.697 3.456) 12.877 8.811 ( 3.885 -5.642 -1.397) 6.991 8.811 ( 3.885 5.642 -1.397) 6.991 8.967 ( 2.875 -6.592 4.503) 8.486 8.967 ( 2.875 6.592 4.503) 8.486 10.529 ( 8.492 -16.586 -1.656) 18.707 10.529 ( 8.492 16.586 -1.656) 18.707 11.226 ( -4.389 -9.019 -1.571) 10.153 11.226 ( -4.389 9.019 -1.571) 10.153 12.345 ( 12.222 -6.428 0.414) 13.815 12.345 ( 12.222 6.428 0.414) 13.815 13.572 ( -0.513 -4.753 1.568) 5.031 13.572 ( -0.513 4.753 1.568) 5.031 14.004 ( -0.761 -13.354 -4.477) 14.105 14.004 ( -0.761 13.354 -4.477) 14.105 14.278 ( -3.879 -14.573 -2.146) 15.232 14.278 ( -3.879 14.573 -2.146) 15.232 14.645 ( 2.292 -5.761 6.366) 8.886 14.645 ( 2.292 5.761 6.366) 8.886 14.803 ( -3.287 -0.987 5.869) 6.799 14.803 ( -3.287 0.987 5.869) 6.799 15.729 ( -1.539 -6.676 2.647) 7.345 15.729 ( -1.539 6.676 2.647) 7.345 16.066 ( -3.430 -5.532 -2.229) 6.880 16.066 ( -3.430 5.532 -2.229) 6.880 16.259 ( 1.011 -2.007 0.403) 2.283 16.259 ( 1.011 2.007 0.403) 2.283 16.448 ( 1.533 -6.505 0.824) 6.734 16.448 ( 1.533 6.505 0.824) 6.734 17.536 ( 0.644 -9.162 -0.011) 9.185 17.536 ( 0.644 9.162 -0.011) 9.185 17.930 ( -8.624 -3.804 -4.580) 10.480 17.930 ( -8.624 3.804 -4.580) 10.480 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 17.350 -11.366 -5.265) 21.399 2.211 ( 17.350 11.366 -5.265) 21.399 2.532 ( 7.292 -11.052 5.012) 14.158 2.532 ( 7.292 11.052 5.012) 14.158 3.194 ( -5.656 -3.353 -7.681) 10.111 3.194 ( -5.656 3.353 -7.681) 10.111 3.436 ( -8.581 -6.423 -0.024) 10.719 3.436 ( -8.581 6.423 -0.024) 10.719 4.000 ( -4.560 -2.083 -2.567) 5.633 4.000 ( -4.560 2.083 -2.567) 5.633 4.071 ( -8.721 -4.195 -0.788) 9.710 4.071 ( -8.721 4.195 -0.788) 9.710 4.899 ( 20.637 -1.969 -12.174) 24.041 4.899 ( 20.637 1.969 -12.174) 24.041 5.460 ( 22.823 -18.479 10.602) 31.222 5.460 ( 22.823 18.479 10.602) 31.222 6.036 ( 1.149 -15.385 3.549) 15.831 6.036 ( 1.149 15.385 3.549) 15.831 6.219 ( -5.524 -21.590 -2.000) 22.375 6.219 ( -5.524 21.590 -2.000) 22.375 6.528 ( -14.498 -5.972 1.127) 15.721 6.528 ( -14.498 5.972 1.127) 15.721 6.936 ( -12.271 -4.355 -5.081) 13.977 6.936 ( -12.271 4.355 -5.081) 13.977 7.220 ( -4.608 -1.515 -1.661) 5.127 7.220 ( -4.608 1.515 -1.661) 5.127 7.364 ( -7.860 -5.251 0.123) 9.454 7.364 ( -7.860 5.251 0.123) 9.454 8.895 ( 4.673 -5.600 0.816) 7.339 8.895 ( 4.673 5.600 0.816) 7.339 9.014 ( 1.668 -5.610 4.507) 7.387 9.014 ( 1.668 5.610 4.507) 7.387 10.686 ( 8.047 -16.445 -1.455) 18.366 10.686 ( 8.047 16.445 -1.455) 18.366 11.124 ( -6.276 -11.212 -1.727) 12.964 11.124 ( -6.276 11.212 -1.727) 12.964 12.623 ( 16.536 -10.066 -2.673) 19.543 12.623 ( 16.536 10.066 -2.673) 19.543 13.514 ( -6.853 -3.201 -3.239) 8.227 13.514 ( -6.853 3.201 -3.239) 8.227 13.974 ( -1.515 -8.129 -3.277) 8.895 13.974 ( -1.515 8.129 -3.277) 8.895 14.170 ( -6.369 -9.228 1.057) 11.263 14.170 ( -6.369 9.228 1.057) 11.263 14.693 ( 2.765 -8.498 7.006) 11.355 14.693 ( 2.765 8.498 7.006) 11.355 14.782 ( 0.163 -5.361 8.646) 10.175 14.782 ( 0.163 5.361 8.646) 10.175 15.716 ( 0.628 -4.834 2.435) 5.449 15.716 ( 0.628 4.834 2.435) 5.449 15.980 ( -5.508 -5.141 -0.195) 7.537 15.980 ( -5.508 5.141 -0.195) 7.537 16.298 ( 2.981 -3.924 -0.173) 4.931 16.298 ( 2.981 3.924 -0.173) 4.931 16.460 ( -0.464 -7.236 0.672) 7.281 16.460 ( -0.464 7.236 0.672) 7.281 17.554 ( 1.245 -9.003 -0.176) 9.090 17.554 ( 1.245 9.003 -0.176) 9.090 17.773 ( -7.437 -6.070 -2.469) 9.912 17.773 ( -7.437 6.070 -2.469) 9.912 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 11.830 -4.340 -4.280) 13.308 2.499 ( 11.830 4.340 -4.280) 13.308 2.619 ( 0.040 -6.582 0.414) 6.595 2.619 ( 0.040 6.582 0.414) 6.595 3.140 ( 1.475 -5.944 -5.350) 8.132 3.140 ( 1.475 5.944 -5.350) 8.132 3.258 ( -9.261 -5.340 -1.976) 10.871 3.258 ( -9.261 5.340 -1.976) 10.871 3.913 ( -2.094 -3.343 -0.717) 4.009 3.913 ( -2.094 3.343 -0.717) 4.009 3.943 ( -4.703 -3.520 -0.490) 5.895 3.943 ( -4.703 3.520 -0.490) 5.895 5.335 ( 23.950 -1.269 -15.276) 28.435 5.335 ( 23.950 1.269 -15.276) 28.435 5.742 ( -12.438 -6.836 -11.167) 18.059 5.742 ( -12.438 6.836 -11.167) 18.059 5.990 ( 14.890 -19.055 5.650) 24.834 5.990 ( 14.890 19.055 5.650) 24.834 6.267 ( -1.609 -7.437 8.489) 11.400 6.267 ( -1.609 7.437 8.489) 11.400 6.301 ( -0.423 -4.339 5.039) 6.663 6.301 ( -0.423 4.339 5.039) 6.663 6.594 ( -20.492 -3.185 4.207) 21.160 6.594 ( -20.492 3.185 4.207) 21.160 7.204 ( 1.484 -3.764 -3.324) 5.236 7.204 ( 1.484 3.764 -3.324) 5.236 7.256 ( -3.926 -4.564 -2.725) 6.608 7.256 ( -3.926 4.564 -2.725) 6.608 8.977 ( 3.530 -5.583 2.476) 7.054 8.977 ( 3.530 5.583 2.476) 7.054 9.021 ( -0.986 -5.487 3.701) 6.692 9.021 ( -0.986 5.487 3.701) 6.692 10.839 ( 8.049 -15.579 -1.451) 17.595 10.839 ( 8.049 15.579 -1.451) 17.595 10.990 ( -7.633 -13.669 -1.621) 15.739 10.990 ( -7.633 13.669 -1.621) 15.739 12.959 ( 18.185 -11.270 -5.840) 22.177 12.959 ( 18.185 11.270 -5.840) 22.177 13.291 ( -15.745 -9.387 -7.240) 19.709 13.291 ( -15.745 9.387 -7.240) 19.709 13.983 ( 2.646 -1.063 1.479) 3.212 13.983 ( 2.646 1.063 1.479) 3.212 14.060 ( -5.056 -2.290 3.305) 6.460 14.060 ( -5.056 2.290 3.305) 6.460 14.745 ( 2.465 -10.288 7.706) 13.088 14.745 ( 2.465 10.288 7.706) 13.088 14.778 ( -0.907 -9.297 8.480) 12.616 14.778 ( -0.907 9.297 8.480) 12.616 15.763 ( 4.218 -4.254 2.010) 6.319 15.763 ( 4.218 4.254 2.010) 6.319 15.866 ( -6.116 -4.625 1.197) 7.761 15.866 ( -6.116 4.625 1.197) 7.761 16.364 ( 3.742 -5.614 -0.090) 6.747 16.364 ( 3.742 5.614 -0.090) 6.747 16.429 ( -2.730 -6.849 0.291) 7.379 16.429 ( -2.730 6.849 0.291) 7.379 17.588 ( 2.511 -8.555 -0.469) 8.928 17.588 ( 2.511 8.555 -0.469) 8.928 17.656 ( -4.774 -7.648 -1.123) 9.085 17.656 ( -4.774 7.648 -1.123) 9.085 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 0.000 0.000 22.676) 22.676 1.459 ( 0.000 0.000 31.625) 31.625 2.253 ( 0.000 0.000 48.731) 48.731 2.718 ( 0.000 0.000 -10.171) 10.171 2.845 ( 0.000 0.000 8.509) 8.509 3.036 ( 0.000 0.000 1.209) 1.209 3.582 ( 0.000 0.000 3.452) 3.452 3.645 ( 0.000 0.000 -19.254) 19.254 3.836 ( 0.000 0.000 -5.588) 5.588 4.075 ( 0.000 0.000 -6.303) 6.303 4.081 ( 0.000 0.000 -14.057) 14.057 4.558 ( 0.000 0.000 10.902) 10.902 4.681 ( 0.000 0.000 -1.302) 1.302 4.896 ( 0.000 0.000 -7.608) 7.608 4.991 ( 0.000 0.000 19.273) 19.273 4.998 ( 0.000 0.000 -5.909) 5.909 5.223 ( 0.000 0.000 7.492) 7.492 5.302 ( 0.000 0.000 14.427) 14.427 6.689 ( 0.000 0.000 -4.725) 4.725 6.931 ( 0.000 0.000 -8.831) 8.831 7.032 ( 0.000 0.000 -12.587) 12.587 7.077 ( 0.000 0.000 -13.070) 13.070 7.095 ( 0.000 0.000 -3.451) 3.451 7.395 ( 0.000 0.000 -1.038) 1.038 7.454 ( 0.000 0.000 -4.913) 4.913 7.531 ( 0.000 0.000 -6.277) 6.277 8.017 ( 0.000 0.000 6.760) 6.760 8.028 ( 0.000 0.000 5.906) 5.906 8.156 ( 0.000 0.000 -5.185) 5.185 8.499 ( 0.000 0.000 10.947) 10.947 8.576 ( 0.000 0.000 -7.367) 7.367 8.965 ( 0.000 0.000 -9.733) 9.733 9.500 ( 0.000 0.000 11.750) 11.750 10.580 ( 0.000 0.000 -6.603) 6.603 11.071 ( 0.000 0.000 7.026) 7.026 11.578 ( 0.000 0.000 -3.530) 3.530 12.062 ( 0.000 0.000 6.399) 6.399 12.184 ( 0.000 0.000 8.193) 8.193 13.215 ( 0.000 0.000 -4.103) 4.103 13.470 ( 0.000 0.000 3.511) 3.511 13.644 ( 0.000 0.000 13.328) 13.328 14.019 ( 0.000 0.000 -12.434) 12.434 14.186 ( 0.000 0.000 0.401) 0.401 14.249 ( 0.000 0.000 -6.358) 6.358 14.778 ( 0.000 0.000 -0.415) 0.415 14.945 ( 0.000 0.000 1.184) 1.184 15.421 ( 0.000 0.000 1.293) 1.293 15.483 ( 0.000 0.000 2.531) 2.531 15.534 ( 0.000 0.000 10.668) 10.668 15.747 ( 0.000 0.000 -5.182) 5.182 16.202 ( 0.000 0.000 -1.870) 1.870 16.278 ( 0.000 0.000 -1.933) 1.933 16.278 ( 0.000 0.000 0.549) 0.549 16.279 ( 0.000 0.000 1.823) 1.823 16.627 ( 0.000 0.000 -7.221) 7.221 16.976 ( 0.000 0.000 -7.170) 7.170 17.140 ( 0.000 0.000 0.048) 0.048 17.183 ( 0.000 0.000 -0.986) 0.986 17.897 ( 0.000 0.000 0.397) 0.397 17.909 ( 0.000 0.000 -0.777) 0.777 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 16.682 0.000 19.925) 25.986 1.173 ( -15.272 0.000 33.380) 36.707 2.671 ( 30.414 0.000 40.829) 50.912 2.720 ( -0.618 0.000 -10.709) 10.726 2.851 ( 0.758 0.000 8.381) 8.415 2.973 ( -2.485 0.000 1.698) 3.010 3.568 ( -2.866 0.000 0.710) 2.953 3.667 ( 1.643 0.000 -19.383) 19.452 3.888 ( 4.665 0.000 -4.264) 6.320 4.028 ( -5.416 0.000 -14.247) 15.242 4.041 ( -3.327 0.000 -6.628) 7.416 4.403 ( -10.468 0.000 11.258) 15.372 4.646 ( -4.305 0.000 -1.939) 4.722 4.694 ( -15.712 0.000 0.369) 15.717 4.883 ( -6.867 0.000 -4.944) 8.461 4.886 ( -8.317 0.000 5.512) 9.978 5.426 ( 6.181 0.000 8.337) 10.378 5.507 ( 22.576 0.000 18.398) 29.123 6.687 ( -1.726 0.000 -8.432) 8.606 6.873 ( -7.870 0.000 -15.641) 17.509 6.970 ( -4.919 0.000 -5.560) 7.423 6.992 ( -8.137 0.000 -12.112) 14.592 7.092 ( -0.093 0.000 0.191) 0.212 7.387 ( -6.665 0.000 -4.442) 8.009 7.393 ( 0.120 0.000 -0.898) 0.906 7.469 ( -3.975 0.000 -5.319) 6.641 8.030 ( -10.911 0.000 -3.084) 11.338 8.078 ( 6.185 0.000 6.368) 8.878 8.130 ( 8.139 0.000 4.116) 9.121 8.246 ( -16.392 0.000 1.091) 16.428 8.749 ( 10.552 0.000 2.359) 10.813 9.117 ( 11.327 0.000 -6.460) 13.040 9.526 ( 3.099 0.000 9.786) 10.265 10.600 ( 0.889 0.000 -6.195) 6.259 11.094 ( 2.458 0.000 5.736) 6.240 11.554 ( -2.261 0.000 -2.429) 3.319 12.160 ( -1.885 0.000 6.368) 6.642 12.201 ( 13.723 0.000 2.843) 14.014 13.238 ( 2.177 0.000 -4.879) 5.343 13.556 ( 8.463 0.000 5.329) 10.001 13.617 ( -2.261 0.000 12.738) 12.937 13.829 ( -15.501 0.000 -14.731) 21.384 14.222 ( 2.868 0.000 0.483) 2.909 14.345 ( 5.771 0.000 -2.992) 6.500 14.785 ( 0.638 0.000 -0.644) 0.906 14.928 ( -3.251 0.000 -2.854) 4.326 15.383 ( -2.029 0.000 6.097) 6.426 15.497 ( 1.455 0.000 2.633) 3.008 15.551 ( 1.742 0.000 11.023) 11.159 15.749 ( 0.194 0.000 -4.484) 4.488 16.147 ( -3.999 0.000 -3.059) 5.035 16.259 ( -1.688 0.000 1.764) 2.441 16.279 ( -0.336 0.000 0.777) 0.847 16.332 ( 3.407 0.000 -0.054) 3.407 16.459 ( -10.776 0.000 -2.185) 10.996 17.096 ( 6.280 0.000 -10.929) 12.605 17.137 ( -0.245 0.000 -0.005) 0.245 17.186 ( 0.230 0.000 -0.731) 0.766 17.897 ( 0.015 0.000 0.234) 0.234 17.906 ( -0.270 0.000 -0.582) 0.641 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 16.994 0.000 14.697) 22.468 1.495 ( 24.343 0.000 15.951) 29.104 2.651 ( -4.822 0.000 -4.862) 6.848 2.878 ( 1.882 0.000 7.632) 7.860 2.971 ( 6.106 0.000 -2.073) 6.448 3.226 ( 13.307 0.000 18.015) 22.397 3.517 ( 4.818 0.000 7.593) 8.992 3.668 ( -2.043 0.000 -15.576) 15.710 3.869 ( -8.609 0.000 -15.366) 17.613 3.946 ( -7.341 0.000 -7.542) 10.525 3.977 ( 1.908 0.000 -0.602) 2.001 4.321 ( 4.472 0.000 3.284) 5.549 4.467 ( -7.875 0.000 -1.642) 8.044 4.527 ( -7.697 0.000 -2.421) 8.069 4.685 ( -12.371 0.000 1.087) 12.418 4.751 ( -5.543 0.000 -2.589) 6.118 5.519 ( 5.298 0.000 8.794) 10.266 5.962 ( 23.636 0.000 19.670) 30.750 6.550 ( -13.772 0.000 -13.880) 19.553 6.590 ( -20.205 0.000 -18.069) 27.106 6.791 ( -11.900 0.000 -10.336) 15.762 6.906 ( -2.092 0.000 -3.947) 4.468 7.136 ( 4.753 0.000 6.708) 8.221 7.230 ( -8.771 0.000 -5.418) 10.310 7.391 ( -0.988 0.000 -2.182) 2.395 7.417 ( -2.278 0.000 -2.211) 3.174 7.805 ( -11.590 0.000 -0.100) 11.591 7.948 ( -14.106 0.000 -1.680) 14.205 8.214 ( 7.390 0.000 4.891) 8.862 8.286 ( 7.532 0.000 3.227) 8.195 8.950 ( 10.299 0.000 4.332) 11.173 9.297 ( 6.640 0.000 3.814) 7.657 9.632 ( 8.180 0.000 2.991) 8.710 10.577 ( -3.739 0.000 -3.310) 4.993 11.169 ( 5.410 0.000 3.662) 6.533 11.508 ( -2.211 0.000 -1.131) 2.483 12.142 ( 0.739 0.000 2.486) 2.593 12.528 ( 18.936 0.000 -4.499) 19.463 13.278 ( 1.390 0.000 -7.238) 7.370 13.488 ( -19.577 0.000 -16.783) 25.786 13.590 ( 0.478 0.000 12.293) 12.303 13.764 ( 12.360 0.000 9.217) 15.419 14.259 ( 0.203 0.000 1.441) 1.455 14.418 ( 1.811 0.000 1.435) 2.310 14.783 ( -5.199 0.000 -3.701) 6.382 14.802 ( -4.877 0.000 -2.016) 5.277 15.401 ( 3.690 0.000 10.491) 11.121 15.537 ( 2.634 0.000 2.937) 3.945 15.594 ( 2.451 0.000 11.819) 12.071 15.755 ( 0.328 0.000 -2.289) 2.312 16.073 ( -3.441 0.000 -1.282) 3.672 16.217 ( -2.558 0.000 2.161) 3.349 16.265 ( -1.160 0.000 0.657) 1.333 16.270 ( -6.823 0.000 0.411) 6.835 16.424 ( 4.192 0.000 -0.959) 4.300 17.134 ( 0.011 0.000 -0.071) 0.072 17.135 ( -2.070 0.000 -9.696) 9.914 17.189 ( -0.016 0.000 -0.199) 0.200 17.895 ( -0.300 0.000 -0.309) 0.431 17.903 ( -0.014 0.000 0.017) 0.022 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 30.391 0.000 -0.744) 30.401 1.983 ( 26.035 0.000 12.885) 29.049 2.584 ( -1.915 0.000 -4.445) 4.840 2.900 ( -0.784 0.000 7.089) 7.132 3.088 ( 3.209 0.000 -9.238) 9.779 3.160 ( -8.616 0.000 -4.960) 9.941 3.585 ( -7.533 0.000 -2.205) 7.849 3.619 ( -1.966 0.000 -10.906) 11.082 3.777 ( -9.117 0.000 -6.431) 11.157 3.851 ( 1.404 0.000 0.033) 1.404 4.018 ( 7.734 0.000 11.593) 13.936 4.365 ( -8.585 0.000 -2.781) 9.024 4.365 ( -3.817 0.000 0.436) 3.842 4.420 ( -10.254 0.000 -1.569) 10.373 4.588 ( 17.603 0.000 -6.830) 18.881 4.751 ( 8.154 0.000 -6.059) 10.159 5.680 ( 12.039 0.000 8.800) 14.912 6.100 ( -24.303 0.000 -11.511) 26.892 6.173 ( -24.747 0.000 -14.670) 28.768 6.419 ( 17.226 0.000 7.147) 18.650 6.557 ( -12.912 0.000 -5.999) 14.238 6.886 ( -0.235 0.000 -2.579) 2.590 7.079 ( -6.283 0.000 -6.994) 9.402 7.235 ( 4.327 0.000 6.790) 8.052 7.338 ( -4.255 0.000 -4.509) 6.199 7.352 ( -5.057 0.000 2.186) 5.509 7.625 ( -6.590 0.000 2.383) 7.008 7.734 ( -7.992 0.000 -2.743) 8.449 8.344 ( 5.889 0.000 3.790) 7.003 8.403 ( 4.456 0.000 2.970) 5.355 9.133 ( 8.633 0.000 6.105) 10.573 9.369 ( 1.309 0.000 9.629) 9.718 9.824 ( 11.316 0.000 -0.171) 11.318 10.459 ( -8.345 0.000 -0.949) 8.399 11.286 ( 6.312 0.000 2.109) 6.656 11.474 ( -1.412 0.000 -0.483) 1.492 12.211 ( 6.830 0.000 -1.997) 7.116 12.869 ( 15.799 0.000 -10.949) 19.222 13.099 ( -20.721 0.000 -15.282) 25.747 13.275 ( -1.568 0.000 -9.774) 9.899 13.657 ( 6.352 0.000 11.195) 12.871 14.002 ( 12.031 0.000 10.964) 16.277 14.202 ( -6.636 0.000 3.465) 7.486 14.416 ( -1.926 0.000 4.914) 5.278 14.631 ( -5.347 0.000 -2.054) 5.728 14.762 ( -3.060 0.000 -0.102) 3.062 15.491 ( 5.062 0.000 10.602) 11.748 15.594 ( 3.321 0.000 3.411) 4.761 15.632 ( 1.213 0.000 12.130) 12.190 15.755 ( -0.588 0.000 1.014) 1.173 16.030 ( -0.896 0.000 2.250) 2.422 16.163 ( -4.642 0.000 0.067) 4.643 16.173 ( -1.700 0.000 1.934) 2.575 16.235 ( -2.033 0.000 0.743) 2.165 16.525 ( 6.532 0.000 -1.573) 6.719 17.036 ( -7.688 0.000 -6.692) 10.193 17.139 ( 0.520 0.000 -0.057) 0.523 17.184 ( -0.502 0.000 0.226) 0.550 17.890 ( -0.077 0.000 -0.254) 0.266 17.902 ( -0.120 0.000 -0.014) 0.121 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 24.781 0.000 -3.453) 25.021 2.454 ( 22.408 0.000 10.200) 24.620 2.533 ( -6.689 0.000 -3.098) 7.371 2.791 ( -11.774 0.000 7.961) 14.213 2.986 ( -3.846 0.000 -12.859) 13.422 3.056 ( -8.202 0.000 -16.348) 18.290 3.557 ( 6.323 0.000 0.432) 6.337 3.606 ( 0.344 0.000 -8.024) 8.031 3.642 ( -4.267 0.000 -6.313) 7.620 3.730 ( -9.720 0.000 0.199) 9.722 4.182 ( 6.467 0.000 9.667) 11.631 4.230 ( -3.764 0.000 -2.598) 4.574 4.253 ( -5.654 0.000 -3.056) 6.427 4.285 ( -4.824 0.000 5.905) 7.625 5.033 ( 26.820 0.000 -13.304) 29.938 5.097 ( 25.909 0.000 -9.494) 27.593 5.572 ( -28.918 0.000 -15.509) 32.814 5.641 ( -29.237 0.000 -12.190) 31.676 5.968 ( 16.470 0.000 5.096) 17.241 6.284 ( -15.834 0.000 -0.008) 15.834 6.704 ( 10.836 0.000 -0.242) 10.839 6.849 ( -4.968 0.000 -3.856) 6.288 7.061 ( 5.663 0.000 1.098) 5.769 7.219 ( -8.684 0.000 5.559) 10.311 7.267 ( -0.649 0.000 1.659) 1.781 7.271 ( -1.629 0.000 -3.531) 3.888 7.574 ( 1.086 0.000 1.663) 1.986 7.628 ( -3.918 0.000 0.019) 3.918 8.430 ( 2.970 0.000 3.193) 4.361 8.452 ( 0.697 0.000 2.960) 3.041 9.273 ( 5.958 0.000 7.940) 9.927 9.356 ( -2.604 0.000 9.582) 9.929 10.048 ( 11.983 0.000 0.179) 11.984 10.271 ( -11.068 0.000 0.127) 11.069 11.389 ( 4.181 0.000 1.043) 4.309 11.445 ( -1.927 0.000 0.224) 1.940 12.406 ( 13.606 0.000 -6.825) 15.222 12.718 ( -18.674 0.000 -11.579) 21.972 13.107 ( 9.026 0.000 -14.149) 16.783 13.225 ( -3.902 0.000 -12.845) 13.425 13.816 ( 9.999 0.000 9.481) 13.779 14.023 ( -11.037 0.000 6.518) 12.818 14.207 ( 9.150 0.000 10.309) 13.784 14.346 ( -5.476 0.000 7.918) 9.628 14.607 ( 2.251 0.000 0.597) 2.329 14.683 ( -4.818 0.000 0.807) 4.886 15.579 ( 3.866 0.000 10.365) 11.063 15.631 ( -1.431 0.000 11.235) 11.326 15.661 ( 3.629 0.000 3.955) 5.368 15.724 ( -2.665 0.000 3.537) 4.429 16.038 ( 1.666 0.000 3.591) 3.959 16.087 ( -3.341 0.000 1.899) 3.843 16.163 ( 0.690 0.000 1.298) 1.470 16.193 ( -2.155 0.000 0.937) 2.349 16.676 ( 9.213 0.000 -2.828) 9.637 16.863 ( -9.947 0.000 -4.349) 10.856 17.153 ( 0.881 0.000 0.109) 0.888 17.170 ( -0.868 0.000 0.297) 0.917 17.892 ( 0.243 0.000 -0.168) 0.295 17.898 ( -0.299 0.000 -0.109) 0.319 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 0.000 29.373 15.780) 33.344 1.618 ( 0.000 13.840 28.164) 31.381 2.399 ( 0.000 15.601 40.723) 43.609 2.539 ( 0.000 -10.837 1.200) 10.904 2.982 ( 0.000 -4.995 4.363) 6.632 3.032 ( 0.000 11.697 0.877) 11.730 3.518 ( 0.000 -4.699 1.249) 4.862 3.705 ( 0.000 4.670 -18.268) 18.855 3.880 ( 0.000 3.316 -6.030) 6.882 3.930 ( 0.000 -9.969 -10.470) 14.457 4.080 ( 0.000 -2.035 -5.818) 6.164 4.572 ( 0.000 -2.077 5.428) 5.812 4.765 ( 0.000 -7.848 -10.325) 12.969 4.893 ( 0.000 -1.757 0.918) 1.982 4.952 ( 0.000 13.498 4.699) 14.293 5.055 ( 0.000 3.328 17.155) 17.475 5.237 ( 0.000 1.578 10.387) 10.506 5.382 ( 0.000 10.681 7.452) 13.024 6.610 ( 0.000 -7.758 -0.077) 7.758 6.925 ( 0.000 -0.535 -10.239) 10.253 6.971 ( 0.000 -6.466 -9.387) 11.399 7.016 ( 0.000 -1.710 -13.107) 13.218 7.027 ( 0.000 -5.453 -5.990) 8.101 7.310 ( 0.000 -6.843 -1.760) 7.066 7.493 ( 0.000 -2.928 -6.585) 7.207 7.506 ( 0.000 0.387 -6.770) 6.781 7.931 ( 0.000 -4.083 -2.433) 4.753 7.995 ( 0.000 -1.853 5.547) 5.848 8.355 ( 0.000 12.130 0.829) 12.158 8.561 ( 0.000 5.912 10.052) 11.662 8.628 ( 0.000 3.937 -7.070) 8.092 8.990 ( 0.000 1.751 -6.852) 7.073 9.634 ( 0.000 11.802 8.817) 14.732 10.578 ( 0.000 -0.919 -6.611) 6.674 11.085 ( 0.000 1.777 6.012) 6.269 11.521 ( 0.000 -4.630 -2.659) 5.339 12.105 ( 0.000 3.555 6.798) 7.671 12.193 ( 0.000 0.824 8.192) 8.234 13.285 ( 0.000 6.615 -3.549) 7.507 13.504 ( 0.000 2.743 4.189) 5.008 13.694 ( 0.000 5.462 10.865) 12.161 14.040 ( 0.000 1.338 -12.026) 12.100 14.053 ( 0.000 -7.343 -2.232) 7.675 14.384 ( 0.000 7.355 -3.333) 8.075 14.759 ( 0.000 -1.797 -0.685) 1.923 14.894 ( 0.000 -4.084 2.588) 4.835 15.336 ( 0.000 -7.655 1.604) 7.821 15.359 ( 0.000 -11.206 7.796) 13.651 15.560 ( 0.000 2.711 5.024) 5.708 15.779 ( 0.000 2.711 -5.545) 6.172 16.186 ( 0.000 -1.573 -2.069) 2.600 16.237 ( 0.000 -2.753 -0.515) 2.801 16.278 ( 0.000 -0.063 0.566) 0.570 16.309 ( 0.000 1.388 0.515) 1.481 16.577 ( 0.000 -4.166 -5.751) 7.101 16.593 ( 0.000 -17.886 4.382) 18.415 17.193 ( 0.000 4.826 0.058) 4.827 17.563 ( 0.000 17.355 -13.666) 22.090 17.850 ( 0.000 -4.264 0.335) 4.277 17.929 ( 0.000 1.542 -2.283) 2.755 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -13.021 12.788 29.277) 34.500 1.528 ( 7.939 29.977 13.587) 33.856 2.546 ( 1.329 -11.362 -0.393) 11.446 2.790 ( 28.498 11.456 35.116) 46.653 2.906 ( -5.445 -2.177 3.871) 7.027 3.040 ( 0.804 8.681 1.035) 8.780 3.520 ( -0.915 -3.812 -0.133) 3.922 3.722 ( 0.788 3.751 -18.295) 18.693 3.864 ( -4.417 -9.567 -8.614) 13.610 3.912 ( 1.147 2.134 -7.457) 7.841 4.042 ( -3.378 -2.163 -5.561) 6.856 4.478 ( -7.271 3.213 7.873) 11.188 4.587 ( -12.640 -7.304 -2.981) 14.900 4.771 ( -8.100 -1.679 -5.220) 9.781 4.855 ( -7.820 10.812 1.777) 13.461 5.137 ( -0.494 17.655 3.487) 18.003 5.409 ( 10.323 -0.491 13.855) 17.285 5.494 ( 15.689 1.015 14.877) 21.645 6.620 ( -0.155 -6.729 -3.216) 7.460 6.852 ( -8.294 -1.770 -15.576) 17.735 6.894 ( -7.452 -5.706 -9.163) 13.117 6.957 ( -5.811 -2.201 -9.023) 10.955 7.023 ( 0.047 -5.513 -0.973) 5.599 7.300 ( -0.100 -6.774 -2.299) 7.154 7.424 ( -6.947 0.593 -5.781) 9.057 7.472 ( -2.571 -0.599 -5.026) 5.678 7.859 ( -6.884 -7.909 -1.587) 10.605 8.014 ( -2.158 -4.869 2.201) 5.762 8.344 ( -1.106 11.819 4.061) 12.546 8.409 ( -3.555 12.390 0.559) 12.902 8.787 ( 9.522 3.037 2.470) 10.295 9.114 ( 9.618 -0.546 -3.980) 10.423 9.666 ( 3.647 12.383 7.039) 14.703 10.616 ( 2.772 0.621 -6.826) 7.393 11.090 ( 0.671 0.179 5.445) 5.489 11.500 ( -1.949 -4.467 -2.251) 5.369 12.177 ( -1.017 1.483 6.616) 6.856 12.228 ( 12.012 2.168 3.834) 12.794 13.305 ( 1.940 6.174 -4.225) 7.728 13.567 ( 4.869 1.372 6.552) 8.277 13.679 ( 0.024 5.611 9.569) 11.092 13.839 ( -14.100 0.702 -14.105) 19.957 14.152 ( 4.540 -4.122 -0.828) 6.188 14.430 ( 3.237 5.470 -1.795) 6.604 14.762 ( 0.291 -2.223 -0.566) 2.312 14.886 ( -2.255 -3.286 -1.215) 4.166 15.297 ( -2.122 -7.553 5.900) 9.816 15.380 ( 2.127 -11.024 8.107) 13.848 15.573 ( 1.214 2.665 5.301) 6.057 15.782 ( 0.304 2.795 -4.637) 5.423 16.126 ( -4.382 -2.058 -2.388) 5.398 16.250 ( -0.899 -1.473 1.049) 2.020 16.277 ( 0.101 -0.153 0.523) 0.554 16.335 ( 2.734 0.378 0.091) 2.762 16.380 ( -9.115 -6.102 0.618) 10.986 16.777 ( 7.907 -13.623 -2.418) 15.936 17.194 ( 0.071 4.884 0.063) 4.885 17.525 ( -3.731 15.215 -11.301) 19.316 17.851 ( 0.111 -4.259 0.281) 4.270 17.923 ( -0.654 1.292 -2.262) 2.686 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 12.953 10.810 13.979) 21.910 1.774 ( 16.192 20.496 11.877) 28.694 2.569 ( 1.273 -8.217 -3.721) 9.109 2.832 ( -1.246 -1.300 5.202) 5.505 3.065 ( 2.909 5.762 -0.316) 6.462 3.238 ( 9.354 0.339 13.900) 16.758 3.489 ( -1.291 -3.014 4.206) 5.333 3.688 ( -2.151 -0.134 -13.053) 13.229 3.791 ( -1.186 -2.145 -7.989) 8.356 3.906 ( -3.777 0.163 -6.235) 7.291 4.000 ( -0.155 -0.348 -5.447) 5.461 4.377 ( -9.714 -5.413 -3.931) 11.794 4.402 ( 1.579 4.601 3.605) 6.055 4.643 ( -3.918 0.651 -4.704) 6.157 4.694 ( -7.701 10.136 0.175) 12.731 5.052 ( -6.574 23.657 0.207) 24.554 5.554 ( 7.504 4.570 11.008) 14.084 5.903 ( 23.052 -5.447 19.185) 30.482 6.493 ( -16.339 -3.746 -12.853) 21.123 6.607 ( -15.279 -0.065 -16.292) 22.336 6.739 ( -9.081 -3.693 -8.670) 13.087 6.848 ( -3.155 -5.381 -3.915) 7.365 7.062 ( 4.079 -6.089 5.317) 9.055 7.267 ( -8.597 2.052 -6.188) 10.789 7.313 ( 0.602 -5.369 -2.004) 5.762 7.408 ( -4.538 -1.697 -2.641) 5.518 7.681 ( -10.658 -9.447 -0.319) 14.245 7.859 ( -11.503 -6.287 -1.050) 13.151 8.376 ( 4.785 12.034 3.939) 13.536 8.453 ( 4.773 12.575 2.246) 13.636 8.971 ( 9.547 1.546 4.310) 10.588 9.273 ( 6.298 -2.304 3.659) 7.639 9.777 ( 7.770 12.728 2.358) 15.097 10.633 ( -1.840 4.631 -4.796) 6.916 11.127 ( 3.648 -3.570 3.775) 6.348 11.458 ( -2.239 -4.358 -1.731) 5.196 12.176 ( 1.700 3.024 2.904) 4.524 12.523 ( 17.437 -0.711 -2.508) 17.630 13.343 ( 1.227 5.753 -7.171) 9.274 13.521 ( -17.495 2.194 -13.747) 22.358 13.597 ( -0.373 1.982 8.495) 8.731 13.794 ( 9.535 2.681 7.722) 12.559 14.218 ( 1.920 -2.855 1.798) 3.882 14.468 ( 0.410 3.083 1.248) 3.351 14.742 ( -5.189 -3.282 -2.752) 6.729 14.797 ( -3.352 -0.159 -0.773) 3.443 15.312 ( 3.442 -7.774 10.068) 13.177 15.438 ( 3.759 -10.479 9.402) 14.572 15.600 ( 1.447 2.315 5.316) 5.976 15.791 ( 0.472 3.017 -1.997) 3.648 16.041 ( -4.120 -2.965 -0.183) 5.080 16.208 ( -3.372 -1.965 0.428) 3.926 16.249 ( -4.370 -0.764 1.308) 4.625 16.273 ( -0.585 0.638 0.407) 0.957 16.401 ( 3.838 -1.578 -0.173) 4.154 16.875 ( 2.337 -12.560 -3.004) 13.124 17.197 ( 0.283 5.033 0.030) 5.041 17.434 ( -5.384 11.801 -6.960) 14.721 17.854 ( 0.127 -4.189 0.107) 4.192 17.904 ( -1.259 0.186 -1.688) 2.114 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 27.813 5.023 -0.088) 28.263 2.104 ( 17.282 8.770 9.748) 21.693 2.615 ( 3.952 1.589 -5.649) 7.075 2.834 ( 0.168 -4.844 3.634) 6.058 3.116 ( -0.129 2.126 -4.802) 5.253 3.191 ( -7.501 2.011 -5.171) 9.330 3.370 ( -7.281 -14.012 -1.450) 15.857 3.626 ( -5.421 -4.264 -7.194) 9.966 3.777 ( -8.011 2.943 -6.355) 10.641 3.846 ( -1.603 0.104 -2.118) 2.658 4.027 ( 2.912 1.230 5.190) 6.077 4.188 ( -9.690 -6.158 -2.018) 11.657 4.531 ( 7.273 7.352 -5.992) 11.953 4.648 ( 6.669 8.226 -6.809) 12.590 4.709 ( 12.208 10.348 1.367) 16.062 4.934 ( -3.805 22.912 -1.069) 23.250 5.738 ( 12.229 5.860 9.649) 16.642 6.061 ( -26.067 -2.672 -15.210) 30.298 6.189 ( -14.728 0.346 -5.378) 15.683 6.380 ( 11.457 -3.300 3.869) 12.535 6.547 ( -10.979 -0.390 -5.309) 12.202 6.837 ( 0.916 -4.805 -2.224) 5.373 7.113 ( -6.461 1.983 -4.841) 8.314 7.151 ( 3.405 -6.731 4.687) 8.881 7.283 ( -5.204 -3.926 -4.283) 7.800 7.307 ( -4.487 -3.743 1.258) 5.977 7.510 ( -5.857 -10.426 2.347) 12.186 7.652 ( -9.366 -6.663 -2.309) 11.724 8.478 ( 5.198 10.957 3.483) 12.618 8.539 ( 3.661 11.207 2.668) 12.088 9.141 ( 8.068 0.358 5.895) 9.998 9.349 ( 1.800 -2.183 8.361) 8.827 9.951 ( 10.199 11.510 -0.125) 15.379 10.541 ( -7.522 7.299 -2.296) 10.730 11.221 ( 5.569 -6.033 1.741) 8.393 11.419 ( -1.847 -4.887 -1.361) 5.398 12.261 ( 7.561 4.555 -1.424) 8.941 12.842 ( 14.611 -2.436 -8.799) 17.229 13.152 ( -18.347 4.307 -14.002) 23.478 13.346 ( -2.406 5.858 -10.832) 12.547 13.644 ( 5.076 0.128 9.987) 11.203 13.950 ( 4.653 -3.657 8.317) 10.208 14.227 ( 0.115 1.478 5.095) 5.306 14.445 ( -2.738 0.961 3.502) 4.548 14.623 ( -3.870 0.083 -0.016) 3.871 14.761 ( -2.478 0.409 1.168) 2.770 15.396 ( 4.716 -8.293 10.114) 13.904 15.506 ( 2.713 -10.088 11.301) 15.390 15.632 ( 2.164 2.177 4.410) 5.374 15.789 ( -0.990 2.910 1.288) 3.333 15.986 ( -1.296 -3.703 2.652) 4.736 16.132 ( -4.093 -2.229 -0.078) 4.661 16.199 ( -1.238 1.790 1.909) 2.895 16.255 ( -1.310 1.844 0.476) 2.311 16.489 ( 5.613 -2.982 -1.023) 6.438 16.867 ( -3.105 -10.366 -3.122) 11.262 17.206 ( 0.673 5.364 -0.077) 5.406 17.335 ( -4.677 9.355 -3.137) 10.919 17.856 ( 0.077 -3.966 -0.120) 3.968 17.880 ( -1.084 -1.443 -0.920) 2.026 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 22.347 1.179 -3.068) 22.588 2.378 ( 8.735 -1.914 4.154) 9.861 2.680 ( 1.449 6.782 0.060) 6.935 2.820 ( -4.880 2.582 2.417) 6.027 2.961 ( -5.793 -4.785 -13.591) 15.530 3.058 ( -7.006 1.210 -10.689) 12.838 3.380 ( 5.382 -11.513 0.581) 12.722 3.498 ( -7.155 -10.080 -2.328) 12.579 3.684 ( -0.640 4.518 -4.090) 6.127 3.745 ( -6.023 1.596 -1.881) 6.508 4.024 ( -1.529 -2.870 0.223) 3.260 4.044 ( -4.424 -5.078 0.075) 6.735 4.636 ( 5.065 21.332 -1.665) 21.988 4.734 ( -4.397 24.771 -0.460) 25.163 5.010 ( 23.760 -0.556 -14.326) 27.750 5.183 ( 25.412 8.021 -5.076) 27.127 5.533 ( -27.782 -1.808 -16.169) 32.195 5.720 ( -27.758 5.776 -9.689) 29.962 6.014 ( 15.663 4.597 6.278) 17.489 6.306 ( -14.286 2.396 0.637) 14.499 6.671 ( 12.568 -3.337 2.709) 13.282 6.831 ( -3.832 -2.203 -1.768) 4.761 7.048 ( 1.921 -1.039 -0.340) 2.210 7.145 ( -4.961 -6.093 2.316) 8.191 7.207 ( -1.489 -5.525 -3.328) 6.619 7.227 ( -2.943 -4.015 3.991) 6.380 7.466 ( 0.685 -9.362 1.423) 9.494 7.518 ( -4.659 -9.287 -0.819) 10.423 8.557 ( 2.852 10.620 3.105) 11.426 8.581 ( 0.499 10.721 2.840) 11.101 9.272 ( 5.486 -0.603 7.526) 9.333 9.345 ( -2.134 -1.432 8.813) 9.180 10.156 ( 11.134 9.898 -0.488) 14.906 10.365 ( -10.455 8.603 -0.971) 13.574 11.318 ( 4.252 -6.565 0.296) 7.827 11.381 ( -2.447 -5.869 -0.701) 6.397 12.465 ( 13.595 5.265 -6.096) 15.803 12.766 ( -17.338 4.428 -10.678) 20.838 13.120 ( 10.078 0.222 -13.003) 16.453 13.271 ( -5.689 3.383 -13.432) 14.975 13.770 ( 7.668 -2.363 9.477) 12.418 13.917 ( -6.661 -5.875 8.130) 12.041 14.279 ( 4.910 3.066 7.526) 9.494 14.374 ( -4.514 0.670 5.823) 7.399 14.619 ( 2.686 1.979 2.690) 4.285 14.693 ( -4.314 1.589 2.539) 5.252 15.478 ( 3.617 -8.919 10.304) 14.100 15.523 ( -0.897 -9.544 11.231) 14.766 15.686 ( 3.331 2.033 4.091) 5.654 15.749 ( -2.999 2.295 3.413) 5.090 15.995 ( 2.134 -3.373 3.449) 5.275 16.056 ( -3.848 -2.472 1.958) 4.975 16.198 ( 0.927 2.711 1.439) 3.206 16.225 ( -1.712 2.728 0.899) 3.344 16.617 ( 7.688 -4.852 -2.123) 9.336 16.765 ( -7.163 -7.450 -2.871) 10.727 17.225 ( 1.432 5.996 -0.258) 6.170 17.264 ( -2.750 7.297 -0.936) 7.854 17.858 ( 0.190 -3.544 -0.292) 3.561 17.865 ( -0.564 -2.806 -0.466) 2.900 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.000 12.596 22.072) 25.413 1.990 ( 0.000 19.072 21.594) 28.810 2.304 ( 0.000 -10.265 11.152) 15.157 2.755 ( 0.000 -6.850 9.763) 11.926 2.982 ( 0.000 23.984 15.070) 28.326 3.296 ( 0.000 11.717 -1.621) 11.828 3.437 ( 0.000 -1.573 -2.231) 2.730 3.652 ( 0.000 -12.057 -7.034) 13.959 3.793 ( 0.000 2.298 -15.355) 15.526 3.982 ( 0.000 -7.187 -0.911) 7.244 4.043 ( 0.000 9.575 -8.172) 12.588 4.437 ( 0.000 -8.889 -0.792) 8.924 4.541 ( 0.000 -7.854 -3.919) 8.777 4.753 ( 0.000 -10.542 7.813) 13.122 5.133 ( 0.000 3.789 16.750) 17.173 5.245 ( 0.000 -0.893 14.533) 14.560 5.376 ( 0.000 21.701 2.932) 21.898 5.822 ( 0.000 25.026 0.617) 25.034 6.361 ( 0.000 -13.156 6.429) 14.643 6.859 ( 0.000 -3.528 -7.225) 8.040 6.905 ( 0.000 -3.567 -5.494) 6.550 6.919 ( 0.000 -1.233 -16.199) 16.246 6.971 ( 0.000 -2.509 -14.690) 14.903 7.071 ( 0.000 -16.846 -1.416) 16.905 7.434 ( 0.000 -2.163 -7.127) 7.448 7.446 ( 0.000 -3.551 -6.148) 7.100 7.889 ( 0.000 -0.153 -4.723) 4.726 7.949 ( 0.000 -2.211 2.643) 3.446 8.575 ( 0.000 7.735 4.281) 8.841 8.699 ( 0.000 1.822 -4.698) 5.039 8.741 ( 0.000 9.844 3.978) 10.617 9.005 ( 0.000 -1.046 -1.817) 2.097 9.951 ( 0.000 16.283 3.650) 16.687 10.500 ( 0.000 -6.992 -4.217) 8.165 11.162 ( 0.000 5.207 1.847) 5.525 11.408 ( 0.000 -5.546 -2.381) 6.036 12.185 ( 0.000 3.151 7.700) 8.319 12.214 ( 0.000 0.934 8.257) 8.310 13.491 ( 0.000 11.845 -1.769) 11.977 13.579 ( 0.000 4.266 4.411) 6.136 13.894 ( 0.000 11.537 8.558) 14.365 13.901 ( 0.000 -6.386 -2.967) 7.041 14.043 ( 0.000 -0.532 -13.586) 13.596 14.512 ( 0.000 1.857 -3.286) 3.774 14.701 ( 0.000 -2.677 0.960) 2.844 14.803 ( 0.000 -3.739 6.047) 7.110 15.067 ( 0.000 -12.983 8.171) 15.340 15.126 ( 0.000 -10.682 0.863) 10.717 15.650 ( 0.000 5.652 2.491) 6.177 15.842 ( 0.000 2.127 -6.412) 6.756 16.125 ( 0.000 -7.345 2.519) 7.765 16.134 ( 0.000 -3.204 -2.296) 3.941 16.277 ( 0.000 0.105 0.715) 0.722 16.330 ( 0.000 -2.093 3.006) 3.663 16.353 ( 0.000 -1.388 0.812) 1.608 16.476 ( 0.000 -4.640 -2.746) 5.391 17.337 ( 0.000 8.195 0.106) 8.195 17.713 ( 0.000 -7.404 -0.133) 7.405 17.837 ( 0.000 7.767 -13.803) 15.838 17.957 ( 0.000 0.677 -5.846) 5.885 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -10.625 16.196 23.347) 30.336 2.090 ( 5.339 21.259 12.891) 25.428 2.278 ( -0.421 -13.369 8.670) 15.940 2.768 ( 0.222 -9.839 8.635) 13.093 3.136 ( 11.071 15.438 12.257) 22.608 3.245 ( -4.704 8.303 -2.103) 9.772 3.467 ( 2.763 1.300 -1.378) 3.350 3.623 ( -1.118 -6.886 -7.288) 10.088 3.820 ( 1.284 1.998 -13.011) 13.226 3.943 ( -2.754 -6.873 -2.535) 7.826 4.041 ( -0.543 8.729 -7.416) 11.466 4.388 ( -4.937 -7.528 -4.105) 9.894 4.520 ( -1.913 -1.564 2.810) 3.742 4.656 ( -6.409 -6.342 2.596) 9.383 5.095 ( -8.750 7.455 5.909) 12.925 5.317 ( 15.966 -4.067 18.571) 24.826 5.539 ( 10.177 15.785 8.868) 20.770 5.809 ( -1.542 26.400 1.523) 26.489 6.381 ( 1.951 -14.425 5.117) 15.430 6.790 ( -9.076 -4.490 -10.799) 14.804 6.814 ( -7.736 -1.479 -12.467) 14.747 6.896 ( -3.365 -3.625 -10.063) 11.213 6.911 ( -3.639 -3.379 -6.324) 8.041 7.086 ( 1.660 -14.253 -3.399) 14.747 7.402 ( -4.182 -1.668 -6.106) 7.587 7.419 ( -2.467 -3.246 -5.505) 6.850 7.767 ( -10.222 -0.354 -2.472) 10.523 7.903 ( -6.705 -5.079 0.606) 8.433 8.578 ( 1.251 9.478 3.322) 10.121 8.669 ( 1.046 9.562 -0.828) 9.655 8.854 ( 7.296 3.299 3.181) 8.615 9.078 ( 6.190 -3.178 -0.146) 6.960 10.000 ( 4.914 17.149 2.560) 18.021 10.567 ( 6.187 -6.340 -4.916) 10.131 11.135 ( -2.711 4.400 1.790) 5.469 11.387 ( -2.084 -5.824 -2.569) 6.698 12.219 ( 0.957 2.271 7.059) 7.477 12.269 ( 8.346 1.094 5.842) 10.246 13.481 ( -0.253 9.039 -1.518) 9.169 13.639 ( 4.937 5.519 4.144) 8.485 13.764 ( -8.310 -0.437 -1.563) 8.467 13.940 ( -3.081 11.946 -5.688) 13.585 14.062 ( 4.399 -5.002 -1.902) 6.928 14.507 ( -0.993 -1.347 -3.148) 3.565 14.706 ( 0.668 -1.099 2.142) 2.498 14.820 ( 0.641 -2.324 3.461) 4.218 15.083 ( 0.176 -13.074 7.177) 14.915 15.097 ( -0.072 -10.941 6.273) 12.612 15.660 ( 0.854 5.361 3.043) 6.223 15.848 ( 0.581 2.223 -5.322) 5.797 16.054 ( -4.789 -4.252 1.000) 6.482 16.155 ( -0.357 -6.031 -1.070) 6.136 16.276 ( -0.060 0.042 0.702) 0.706 16.294 ( -2.475 -1.341 2.083) 3.502 16.359 ( 1.222 1.745 0.359) 2.160 16.549 ( 5.244 -8.051 -1.350) 9.702 17.338 ( 0.180 8.233 0.096) 8.236 17.712 ( -0.307 -6.427 -0.878) 6.494 17.785 ( -4.757 7.101 -10.654) 13.659 17.940 ( -1.871 -0.133 -5.642) 5.946 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 7.319 16.284 11.283) 21.120 2.161 ( 3.191 8.917 6.807) 11.664 2.357 ( 8.673 -5.423 4.964) 11.370 2.778 ( 0.897 -5.786 6.388) 8.666 3.151 ( -4.280 0.962 -3.130) 5.389 3.210 ( -2.790 -2.288 -0.929) 3.725 3.429 ( -6.717 0.530 -3.738) 7.705 3.659 ( -4.294 -3.463 -6.692) 8.673 3.829 ( 5.953 4.828 -0.857) 7.713 3.957 ( 1.765 -0.271 -9.521) 9.687 4.011 ( -1.920 5.594 -3.789) 7.024 4.264 ( -8.217 -4.845 -6.119) 11.333 4.484 ( 0.788 2.848 3.749) 4.773 4.598 ( 0.282 -2.987 -2.235) 3.742 4.999 ( 0.877 16.316 5.357) 17.195 5.619 ( 5.668 13.996 7.223) 16.739 5.719 ( 12.383 9.107 11.771) 19.361 5.805 ( 6.597 10.058 9.627) 15.406 6.374 ( -8.580 -8.876 -4.205) 13.041 6.555 ( -9.034 -7.062 -12.020) 16.612 6.651 ( -11.148 -1.587 -8.693) 14.225 6.751 ( -6.927 -1.734 -6.125) 9.408 6.921 ( 1.896 -6.154 -0.343) 6.449 7.129 ( 2.603 -13.805 -3.466) 14.469 7.283 ( -7.468 -0.585 -5.689) 9.406 7.343 ( -5.676 -3.906 -3.253) 7.620 7.534 ( -13.817 -1.085 -0.974) 13.894 7.717 ( -11.492 -6.571 -0.465) 13.246 8.640 ( 4.805 11.376 2.962) 12.700 8.727 ( 4.298 11.212 1.754) 12.135 8.995 ( 7.324 0.547 4.353) 8.538 9.193 ( 5.216 -5.199 3.773) 8.275 10.123 ( 7.569 18.055 0.425) 19.582 10.693 ( 5.841 -2.375 -5.618) 8.446 11.070 ( -3.522 0.769 1.880) 4.066 11.336 ( -3.009 -6.722 -2.916) 7.920 12.265 ( 4.365 5.140 3.768) 7.724 12.483 ( 13.382 -3.283 1.495) 13.859 13.484 ( -0.075 5.669 -4.421) 7.190 13.556 ( -13.602 1.470 -8.799) 16.267 13.713 ( 1.775 8.262 2.374) 8.777 13.894 ( 0.219 6.957 -0.287) 6.966 14.155 ( 4.371 -2.713 2.756) 5.836 14.462 ( -3.817 -5.886 -2.549) 7.464 14.703 ( -1.460 1.620 3.172) 3.850 14.815 ( -0.197 2.426 3.209) 4.027 15.093 ( 2.537 -12.222 9.342) 15.591 15.156 ( 4.308 -13.449 10.444) 17.564 15.675 ( 0.696 4.528 3.825) 5.969 15.862 ( 0.684 1.825 -2.065) 2.840 15.961 ( -4.458 -2.603 1.691) 5.433 16.126 ( -2.305 -4.744 -1.822) 5.580 16.256 ( -1.349 0.828 1.669) 2.300 16.286 ( 0.913 0.145 0.517) 1.060 16.387 ( 1.548 1.025 0.668) 1.973 16.631 ( 2.810 -9.917 -1.092) 10.365 17.344 ( 0.471 8.316 0.017) 8.330 17.652 ( -6.243 7.498 -7.081) 12.056 17.729 ( -0.266 -6.369 -0.446) 6.391 17.888 ( -3.334 -1.989 -4.154) 5.686 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 20.757 10.241 -0.361) 23.149 2.254 ( 6.643 2.463 2.304) 7.450 2.569 ( 12.513 -3.424 1.389) 13.047 2.782 ( -1.250 -1.753 1.849) 2.838 3.065 ( -7.860 -8.628 -5.071) 12.725 3.132 ( -1.174 -2.616 -3.483) 4.512 3.271 ( -9.115 3.931 -4.229) 10.790 3.494 ( -10.060 -6.251 -6.314) 13.422 3.874 ( -2.808 2.533 -3.236) 4.977 3.895 ( -5.718 6.386 -5.265) 10.059 4.020 ( -0.782 -2.391 0.184) 2.522 4.099 ( -7.983 -2.621 -3.207) 8.993 4.615 ( 13.242 2.669 -8.116) 15.759 4.696 ( 10.829 -0.463 -9.673) 14.528 5.156 ( 13.700 25.770 9.000) 30.541 5.527 ( -8.632 26.780 -3.575) 28.363 5.935 ( 10.785 11.870 9.846) 18.819 5.996 ( -21.652 -3.598 -15.329) 26.772 6.136 ( 13.958 -6.697 14.095) 20.936 6.341 ( -13.311 2.939 -7.781) 15.696 6.530 ( -4.178 -4.228 -4.334) 7.357 6.685 ( 0.751 -6.735 1.297) 6.899 6.953 ( 0.238 -9.184 2.486) 9.517 7.146 ( -5.848 -5.556 -3.880) 8.951 7.176 ( 0.944 -12.531 -3.223) 12.973 7.214 ( -7.269 -3.360 -2.188) 8.301 7.268 ( -11.989 0.245 0.625) 12.008 7.496 ( -11.119 -7.176 -1.434) 13.311 8.739 ( 5.135 12.080 3.383) 13.555 8.807 ( 3.562 12.252 2.925) 13.090 9.125 ( 6.095 -2.225 5.380) 8.429 9.265 ( 2.159 -5.765 6.407) 8.885 10.277 ( 8.524 17.632 -0.920) 19.606 10.733 ( -2.693 8.428 -4.979) 10.153 11.044 ( 1.764 -8.924 0.992) 9.151 11.275 ( -3.474 -8.442 -2.969) 9.599 12.397 ( 9.510 7.831 -0.380) 12.325 12.753 ( 14.284 -6.250 -3.713) 16.027 13.259 ( -16.582 5.458 -11.151) 20.714 13.443 ( -5.290 0.894 -10.221) 11.543 13.741 ( 2.640 9.623 3.951) 10.732 13.917 ( 0.451 2.156 5.654) 6.068 14.220 ( 2.532 -2.819 3.130) 4.915 14.376 ( -4.533 -7.563 -0.073) 8.818 14.687 ( 0.627 6.128 5.923) 8.546 14.813 ( -0.643 4.907 5.317) 7.264 15.158 ( 3.810 -13.141 10.201) 17.066 15.233 ( 3.137 -13.745 11.326) 18.084 15.695 ( 1.642 3.586 4.022) 5.633 15.866 ( -0.501 2.150 1.467) 2.651 15.895 ( -2.089 -2.439 2.635) 4.154 16.070 ( -3.617 -3.596 -0.109) 5.101 16.245 ( 0.396 2.437 1.460) 2.869 16.307 ( 0.898 2.465 -0.008) 2.623 16.422 ( 2.560 -2.192 0.255) 3.380 16.647 ( -1.147 -9.691 -1.203) 9.832 17.358 ( 1.018 8.418 -0.210) 8.482 17.533 ( -5.760 8.769 -4.015) 11.233 17.732 ( 0.420 -7.289 -0.206) 7.304 17.824 ( -3.167 -4.022 -2.405) 5.656 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 17.662 4.357 -3.267) 18.482 2.390 ( 5.763 2.394 0.485) 6.259 2.695 ( -1.992 -5.590 -2.913) 6.611 2.781 ( -4.202 -10.086 -8.067) 13.582 2.911 ( 2.932 5.417 -2.402) 6.611 3.095 ( -9.713 2.807 -4.370) 11.015 3.178 ( 4.848 -7.058 -1.591) 8.710 3.308 ( -8.795 -6.976 -3.908) 11.887 3.801 ( -2.573 5.199 -2.357) 6.262 3.809 ( -2.998 4.923 -0.759) 5.813 3.972 ( -1.889 -2.878 -0.557) 3.487 3.989 ( -3.504 -1.770 -1.348) 4.151 4.945 ( 17.327 5.916 -14.250) 23.201 4.995 ( 21.615 0.947 -15.522) 26.628 5.240 ( -11.250 17.031 -9.619) 22.564 5.458 ( -16.356 4.300 -13.402) 21.578 5.594 ( 6.214 20.136 2.400) 21.209 5.931 ( -19.532 16.682 0.071) 25.687 6.171 ( 12.547 9.724 7.477) 17.547 6.392 ( -9.854 5.001 1.329) 11.131 6.539 ( 16.414 -9.724 8.220) 20.774 6.728 ( -0.161 -7.721 1.266) 7.826 6.897 ( -3.262 -14.062 5.858) 15.579 6.993 ( -10.130 -14.133 4.102) 17.865 7.100 ( -0.345 0.396 -5.168) 5.194 7.133 ( -3.047 -2.964 -0.487) 4.279 7.234 ( 2.564 -8.728 -2.875) 9.541 7.317 ( -6.920 -7.989 -3.161) 11.032 8.821 ( 3.058 12.697 3.576) 13.540 8.847 ( 0.389 12.898 3.433) 13.352 9.222 ( 4.039 -4.425 6.360) 8.737 9.274 ( -1.194 -5.520 6.980) 8.979 10.446 ( 9.115 16.134 -1.804) 18.618 10.616 ( -8.290 13.945 -2.983) 16.495 11.115 ( 4.658 -12.094 -1.228) 13.019 11.202 ( -4.230 -10.657 -2.453) 11.725 12.622 ( 13.868 9.151 -4.787) 17.292 12.899 ( -11.876 7.164 -8.803) 16.427 13.061 ( 8.969 -5.777 -8.276) 13.502 13.283 ( -10.937 -4.162 -11.580) 16.464 13.816 ( 4.491 7.752 5.836) 10.692 13.891 ( -2.977 4.915 6.495) 8.672 14.260 ( 1.976 -5.288 2.911) 6.351 14.305 ( -2.908 -7.194 2.349) 8.107 14.725 ( 2.962 7.821 7.433) 11.189 14.782 ( -2.539 6.861 6.936) 10.081 15.225 ( 2.911 -13.676 10.543) 17.512 15.260 ( -0.436 -13.846 11.015) 17.698 15.744 ( 3.471 3.307 3.930) 6.199 15.817 ( -3.796 3.868 3.075) 6.232 15.912 ( 3.138 -4.133 3.535) 6.279 15.990 ( -4.513 -3.566 2.259) 6.180 16.269 ( 1.892 3.970 1.065) 4.525 16.303 ( -1.289 4.548 0.596) 4.764 16.496 ( 4.963 -5.938 -0.820) 7.782 16.591 ( -4.413 -8.176 -1.225) 9.371 17.386 ( 2.069 8.565 -0.682) 8.838 17.441 ( -3.793 8.751 -1.760) 9.698 17.745 ( 1.006 -6.807 -0.564) 6.904 17.773 ( -2.049 -5.713 -1.206) 6.188 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.000 -9.398 19.385) 21.543 2.056 ( 0.000 9.398 19.385) 21.543 2.439 ( 0.000 -18.277 16.103) 24.359 2.439 ( 0.000 18.277 16.103) 24.359 3.392 ( 0.000 -4.062 -5.524) 6.856 3.392 ( 0.000 4.062 -5.524) 6.856 3.493 ( 0.000 -1.617 -3.919) 4.240 3.493 ( 0.000 1.617 -3.919) 4.240 3.818 ( 0.000 -4.335 -2.205) 4.864 3.818 ( 0.000 4.335 -2.205) 4.864 4.251 ( 0.000 -8.538 -6.705) 10.856 4.251 ( 0.000 8.538 -6.705) 10.856 4.526 ( 0.000 -7.322 5.711) 9.286 4.526 ( 0.000 7.322 5.711) 9.286 5.205 ( 0.000 -2.720 15.603) 15.838 5.205 ( 0.000 2.720 15.603) 15.838 5.833 ( 0.000 -19.589 5.655) 20.389 5.833 ( 0.000 19.589 5.655) 20.389 6.565 ( 0.000 -26.404 0.496) 26.408 6.565 ( 0.000 26.404 0.496) 26.408 6.844 ( 0.000 -0.892 -7.961) 8.010 6.844 ( 0.000 0.892 -7.961) 8.010 6.931 ( 0.000 -1.480 -14.894) 14.967 6.931 ( 0.000 1.480 -14.894) 14.967 7.409 ( 0.000 -0.002 -7.112) 7.112 7.409 ( 0.000 0.002 -7.112) 7.112 7.907 ( 0.000 -1.561 -1.030) 1.870 7.907 ( 0.000 1.561 -1.030) 1.870 8.688 ( 0.000 -2.876 0.364) 2.899 8.688 ( 0.000 2.876 0.364) 2.899 8.926 ( 0.000 -6.505 1.202) 6.615 8.926 ( 0.000 6.505 1.202) 6.615 10.278 ( 0.000 -13.361 -0.484) 13.370 10.278 ( 0.000 13.361 -0.484) 13.370 11.286 ( 0.000 -5.879 -1.672) 6.112 11.286 ( 0.000 5.879 -1.672) 6.112 12.223 ( 0.000 -0.407 8.265) 8.275 12.223 ( 0.000 0.407 8.265) 8.275 13.662 ( 0.000 -0.886 4.402) 4.491 13.662 ( 0.000 0.886 4.402) 4.491 13.866 ( 0.000 -6.467 -7.729) 10.077 13.866 ( 0.000 6.467 -7.729) 10.077 14.298 ( 0.000 -17.598 -1.667) 17.677 14.298 ( 0.000 17.598 -1.667) 17.677 14.737 ( 0.000 -3.219 8.618) 9.200 14.737 ( 0.000 3.219 8.618) 9.200 14.952 ( 0.000 -3.149 0.299) 3.163 14.952 ( 0.000 3.149 0.299) 3.163 15.791 ( 0.000 -6.596 -1.506) 6.766 15.791 ( 0.000 6.596 -1.506) 6.766 16.064 ( 0.000 -2.261 -0.146) 2.266 16.064 ( 0.000 2.261 -0.146) 2.266 16.287 ( 0.000 -0.921 1.298) 1.592 16.287 ( 0.000 0.921 1.298) 1.592 16.394 ( 0.000 -2.948 -0.588) 3.006 16.394 ( 0.000 2.948 -0.588) 3.006 17.528 ( 0.000 -9.237 0.170) 9.239 17.528 ( 0.000 9.237 0.170) 9.239 17.942 ( 0.000 -2.395 -10.201) 10.478 17.942 ( 0.000 2.395 -10.201) 10.478 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -5.320 -14.574 16.940) 22.971 1.979 ( -5.320 14.574 16.940) 22.971 2.483 ( 3.779 -16.156 12.521) 20.786 2.483 ( 3.779 16.156 12.521) 20.786 3.294 ( -6.598 -2.374 -5.775) 9.085 3.294 ( -6.598 2.374 -5.775) 9.085 3.584 ( 2.877 -4.428 -3.364) 6.261 3.584 ( 2.877 4.428 -3.364) 6.261 3.827 ( 2.795 -2.202 -4.538) 5.767 3.827 ( 2.795 2.202 -4.538) 5.767 4.232 ( -2.404 -7.894 -6.732) 10.650 4.232 ( -2.404 7.894 -6.732) 10.650 4.529 ( 0.190 -4.070 5.903) 7.173 4.529 ( 0.190 4.070 5.903) 7.173 5.213 ( 2.811 -4.896 14.735) 15.779 5.213 ( 2.811 4.896 14.735) 15.779 5.922 ( 7.869 -17.785 6.940) 20.650 5.922 ( 7.869 17.785 6.940) 20.650 6.496 ( -7.255 -24.292 -1.429) 25.393 6.496 ( -7.255 24.292 -1.429) 25.393 6.824 ( -2.364 -3.033 -7.052) 8.032 6.824 ( -2.364 3.033 -7.052) 8.032 6.880 ( -4.106 -1.371 -13.562) 14.236 6.880 ( -4.106 1.371 -13.562) 14.236 7.382 ( -3.126 -0.309 -6.267) 7.010 7.382 ( -3.126 0.309 -6.267) 7.010 7.808 ( -9.383 -3.520 -0.808) 10.054 7.808 ( -9.383 3.520 -0.808) 10.054 8.725 ( 3.678 -3.576 0.854) 5.201 8.725 ( 3.678 3.576 0.854) 5.201 8.971 ( 4.215 -6.561 2.347) 8.144 8.971 ( 4.215 6.561 2.347) 8.144 10.343 ( 6.298 -13.945 -1.105) 15.341 10.343 ( 6.298 13.945 -1.105) 15.341 11.256 ( -2.950 -6.219 -2.011) 7.171 11.256 ( -2.950 6.219 -2.011) 7.171 12.263 ( 4.228 -1.501 7.072) 8.375 12.263 ( 4.228 1.501 7.072) 8.375 13.638 ( -2.476 -5.422 1.514) 6.150 13.638 ( -2.476 5.422 1.514) 6.150 13.885 ( 1.512 -10.370 -6.001) 12.077 13.885 ( 1.512 10.370 -6.001) 12.077 14.282 ( -1.593 -16.574 -1.976) 16.767 14.282 ( -1.593 16.574 -1.976) 16.767 14.765 ( 2.616 -4.157 8.837) 10.110 14.765 ( 2.616 4.157 8.837) 10.110 14.936 ( -1.097 -2.199 2.485) 3.495 14.936 ( -1.097 2.199 2.485) 3.495 15.794 ( 0.068 -6.387 -0.174) 6.390 15.794 ( 0.068 6.387 -0.174) 6.390 16.047 ( -1.450 -3.764 -1.055) 4.170 16.047 ( -1.450 3.764 -1.055) 4.170 16.280 ( -0.525 -0.340 1.172) 1.328 16.280 ( -0.525 0.340 1.172) 1.328 16.420 ( 2.261 -4.188 -0.109) 4.761 16.420 ( 2.261 4.188 -0.109) 4.761 17.530 ( 0.205 -9.225 0.131) 9.228 17.530 ( 0.205 9.225 0.131) 9.228 17.904 ( -3.788 -3.459 -9.011) 10.368 17.904 ( -3.788 3.459 -9.011) 10.368 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 4.075 -15.947 7.544) 18.106 1.954 ( 4.075 15.947 7.544) 18.106 2.565 ( 4.544 -12.966 8.776) 16.303 2.565 ( 4.544 12.966 8.776) 16.303 3.163 ( -6.956 -1.619 -6.312) 9.531 3.163 ( -6.956 1.619 -6.312) 9.531 3.532 ( -6.642 -7.069 -4.045) 10.510 3.532 ( -6.642 7.069 -4.045) 10.510 3.924 ( 4.543 -2.831 -7.065) 8.864 3.924 ( 4.543 2.831 -7.065) 8.864 4.152 ( -5.802 -6.079 -5.295) 9.933 4.152 ( -5.802 6.079 -5.295) 9.933 4.537 ( 1.795 -2.468 1.155) 3.263 4.537 ( 1.795 2.468 1.155) 3.263 5.375 ( 14.201 -17.464 15.123) 27.117 5.375 ( 14.201 17.464 15.123) 27.117 6.076 ( 6.824 -15.107 6.942) 17.972 6.076 ( 6.824 15.107 6.942) 17.972 6.300 ( -12.275 -18.750 -7.141) 23.521 6.300 ( -12.275 18.750 -7.141) 23.521 6.713 ( -7.856 -5.257 -4.298) 10.384 6.713 ( -7.856 5.257 -4.298) 10.384 6.850 ( 0.109 -3.397 -8.300) 8.969 6.850 ( 0.109 3.397 -8.300) 8.969 7.286 ( -6.634 -1.318 -4.769) 8.276 7.286 ( -6.634 1.318 -4.769) 8.276 7.591 ( -12.539 -4.886 -0.450) 13.465 7.591 ( -12.539 4.886 -0.450) 13.465 8.820 ( 6.000 -4.012 2.126) 7.524 8.820 ( 6.000 4.012 2.126) 7.524 9.059 ( 4.310 -6.445 4.200) 8.818 9.059 ( 4.310 6.445 4.200) 8.818 10.489 ( 8.311 -14.829 -1.899) 17.105 10.489 ( 8.311 14.829 -1.899) 17.105 11.180 ( -4.955 -7.451 -2.733) 9.356 11.180 ( -4.955 7.451 -2.733) 9.356 12.384 ( 8.464 -5.573 3.829) 10.834 12.384 ( 8.464 5.573 3.829) 10.834 13.558 ( -6.442 -1.675 -4.863) 8.243 13.558 ( -6.442 1.675 -4.863) 8.243 13.913 ( 1.539 -7.924 -2.125) 8.347 13.913 ( 1.539 7.924 -2.125) 8.347 14.242 ( -2.449 -11.773 -1.279) 12.092 14.242 ( -2.449 11.773 -1.279) 12.092 14.821 ( 2.960 -8.486 9.340) 12.962 14.821 ( 2.960 8.486 9.340) 12.962 14.937 ( 1.418 -6.410 6.553) 9.276 14.937 ( 1.418 6.410 6.553) 9.276 15.788 ( -0.666 -5.666 2.425) 6.199 15.788 ( -0.666 5.666 2.425) 6.199 16.019 ( -1.498 -5.066 -1.749) 5.565 16.019 ( -1.498 5.066 -1.749) 5.565 16.275 ( 0.306 -0.877 1.095) 1.436 16.275 ( 0.306 0.877 1.095) 1.436 16.461 ( 1.590 -5.779 0.202) 5.997 16.461 ( 1.590 5.779 0.202) 5.997 17.536 ( 0.454 -9.144 -0.010) 9.156 17.536 ( 0.454 9.144 -0.010) 9.156 17.811 ( -5.549 -5.245 -6.303) 9.901 17.811 ( -5.549 5.245 -6.303) 9.901 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 13.274 -10.958 -1.607) 17.288 2.131 ( 13.274 10.958 -1.607) 17.288 2.642 ( 2.716 -8.395 5.366) 10.327 2.642 ( 2.716 8.395 5.366) 10.327 3.045 ( -4.545 -4.067 -6.094) 8.622 3.045 ( -4.545 4.067 -6.094) 8.622 3.373 ( -9.562 -5.220 -5.396) 12.158 3.373 ( -9.562 5.220 -5.396) 12.158 3.941 ( -2.262 -3.238 -3.494) 5.273 3.941 ( -2.262 3.238 -3.494) 5.273 4.029 ( -6.555 -4.392 -3.017) 8.447 4.029 ( -6.555 4.392 -3.017) 8.447 4.666 ( 12.599 -2.068 -8.942) 15.588 4.666 ( 12.599 2.068 -8.942) 15.588 5.672 ( 10.153 -18.332 6.402) 21.912 5.672 ( 10.153 18.332 6.402) 21.912 5.977 ( -10.176 -6.332 -5.662) 13.255 5.977 ( -10.176 6.332 -5.662) 13.255 6.266 ( 7.407 -16.595 5.093) 18.873 6.266 ( 7.407 16.595 5.093) 18.873 6.565 ( -7.617 -13.306 1.742) 15.431 6.565 ( -7.617 13.306 1.742) 15.431 6.836 ( -3.031 -2.961 -3.399) 5.432 6.836 ( -3.031 2.961 -3.399) 5.432 7.160 ( -5.441 -1.302 -3.991) 6.872 7.160 ( -5.441 1.302 -3.991) 6.872 7.356 ( -11.415 -5.784 -0.991) 12.835 7.356 ( -11.415 5.784 -0.991) 12.835 8.942 ( 6.443 -4.435 3.478) 8.560 8.942 ( 6.443 4.435 3.478) 8.560 9.119 ( 1.703 -5.987 5.224) 8.126 9.119 ( 1.703 5.987 5.224) 8.126 10.646 ( 7.994 -15.070 -2.269) 17.210 10.646 ( 7.994 15.070 -2.269) 17.210 11.071 ( -6.370 -9.633 -3.220) 11.989 11.071 ( -6.370 9.633 -3.220) 11.989 12.582 ( 12.158 -8.990 -0.479) 15.129 12.582 ( 12.158 8.990 -0.479) 15.129 13.380 ( -12.028 -5.362 -9.199) 16.064 13.380 ( -12.028 5.362 -9.199) 16.064 13.956 ( 3.217 -5.593 1.632) 6.656 13.956 ( 3.217 5.593 1.632) 6.656 14.189 ( -3.240 -5.793 0.589) 6.664 14.189 ( -3.240 5.793 0.589) 6.664 14.879 ( 3.216 -11.658 9.706) 15.507 14.879 ( 3.216 11.658 9.706) 15.507 14.973 ( 1.646 -9.977 9.063) 13.579 14.973 ( 1.646 9.977 9.063) 13.579 15.783 ( 0.656 -4.553 3.689) 5.897 15.783 ( 0.656 4.553 3.689) 5.897 15.979 ( -2.938 -4.739 0.267) 5.582 15.979 ( -2.938 4.739 0.267) 5.582 16.301 ( 2.502 -2.510 0.524) 3.582 16.301 ( 2.502 2.510 0.524) 3.582 16.470 ( -0.710 -6.316 0.165) 6.358 16.470 ( -0.710 6.316 0.165) 6.358 17.549 ( 0.925 -8.903 -0.291) 8.956 17.549 ( 0.925 8.903 -0.291) 8.956 17.707 ( -5.072 -6.723 -3.592) 9.155 17.707 ( -5.072 6.723 -3.592) 9.155 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 13.860 -4.184 -4.535) 15.171 2.403 ( 13.860 4.184 -4.535) 15.171 2.612 ( -6.876 -3.113 -1.240) 7.649 2.612 ( -6.876 3.113 -1.240) 7.649 3.038 ( 4.467 -6.287 -3.761) 8.581 3.038 ( 4.467 6.287 -3.761) 8.581 3.184 ( -9.665 -5.038 -4.534) 11.805 3.184 ( -9.665 5.038 -4.534) 11.805 3.896 ( -1.020 -4.081 -0.838) 4.289 3.896 ( -1.020 4.081 -0.838) 4.289 3.924 ( -3.868 -4.386 -1.271) 5.985 3.924 ( -3.868 4.386 -1.271) 5.985 4.999 ( 21.357 -0.819 -15.863) 26.617 4.999 ( 21.357 0.819 -15.863) 26.617 5.435 ( -22.890 -3.539 -16.915) 28.681 5.435 ( -22.890 3.539 -16.915) 28.681 6.143 ( 15.466 -23.315 8.154) 29.143 6.143 ( 15.466 23.315 8.154) 29.143 6.377 ( -6.467 -12.696 3.640) 14.706 6.377 ( -6.467 12.696 3.640) 14.706 6.470 ( 7.658 -16.270 8.318) 19.813 6.470 ( 7.658 16.270 8.318) 19.813 6.693 ( -11.557 -5.134 4.617) 13.463 6.693 ( -11.557 5.134 4.617) 13.463 7.117 ( 0.936 -1.412 -4.680) 4.978 7.117 ( 0.936 1.412 -4.680) 4.978 7.184 ( -6.205 -4.204 -3.608) 8.318 7.184 ( -6.205 4.204 -3.608) 8.318 9.053 ( 4.854 -4.915 4.560) 8.277 9.053 ( 4.854 4.915 4.560) 8.277 9.118 ( -1.804 -5.432 5.238) 7.759 9.118 ( -1.804 5.432 5.238) 7.759 10.795 ( 7.728 -14.140 -2.694) 16.338 10.795 ( 7.728 14.140 -2.694) 16.338 10.939 ( -7.350 -12.137 -3.145) 14.533 10.939 ( -7.350 12.137 -3.145) 14.533 12.839 ( 14.418 -10.263 -4.798) 18.337 12.839 ( 14.418 10.263 -4.798) 18.337 13.120 ( -14.702 -9.214 -8.293) 19.230 13.120 ( -14.702 9.214 -8.293) 19.230 14.032 ( 4.472 -5.083 2.714) 7.294 14.032 ( 4.472 5.083 2.714) 7.294 14.117 ( -4.255 -4.095 2.086) 6.263 14.117 ( -4.255 4.095 2.086) 6.263 14.940 ( 2.911 -11.873 9.827) 15.684 14.940 ( 2.911 11.873 9.827) 15.684 14.980 ( -1.033 -11.306 9.858) 15.035 14.980 ( -1.033 11.306 9.858) 15.035 15.824 ( 3.601 -4.031 3.731) 6.568 15.824 ( 3.601 4.031 3.731) 6.568 15.906 ( -4.509 -4.212 2.648) 6.714 15.906 ( -4.509 4.212 2.648) 6.714 16.365 ( 3.855 -4.249 0.138) 5.739 16.365 ( 3.855 4.249 0.138) 5.739 16.433 ( -3.024 -5.675 0.099) 6.431 16.433 ( -3.024 5.675 0.099) 6.431 17.575 ( 1.900 -8.444 -0.783) 8.690 17.575 ( 1.900 8.444 -0.783) 8.690 17.625 ( -3.456 -7.748 -1.749) 8.662 17.625 ( -3.456 7.748 -1.749) 8.662 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 0.000 0.000 23.650) 23.650 2.058 ( 0.000 0.000 25.272) 25.272 2.582 ( 0.000 0.000 -1.183) 1.183 2.847 ( 0.000 0.000 -13.096) 13.096 2.896 ( 0.000 0.000 -1.048) 1.048 3.202 ( 0.000 0.000 21.466) 21.466 3.388 ( 0.000 0.000 -0.184) 0.184 3.657 ( 0.000 0.000 3.601) 3.601 3.689 ( 0.000 0.000 -8.891) 8.891 3.896 ( 0.000 0.000 2.996) 2.996 3.930 ( 0.000 0.000 -7.816) 7.816 4.659 ( 0.000 0.000 -0.008) 0.008 4.705 ( 0.000 0.000 -10.380) 10.380 4.769 ( 0.000 0.000 6.313) 6.313 4.927 ( 0.000 0.000 0.999) 0.999 5.403 ( 0.000 0.000 12.109) 12.109 5.441 ( 0.000 0.000 22.793) 22.793 5.651 ( 0.000 0.000 18.113) 18.113 6.356 ( 0.000 0.000 -23.871) 23.871 6.713 ( 0.000 0.000 -17.695) 17.695 6.727 ( 0.000 0.000 -11.452) 11.452 6.803 ( 0.000 0.000 -13.891) 13.891 7.163 ( 0.000 0.000 6.702) 6.702 7.368 ( 0.000 0.000 -3.365) 3.365 7.377 ( 0.000 0.000 -0.585) 0.585 7.394 ( 0.000 0.000 -5.891) 5.891 8.059 ( 0.000 0.000 -3.589) 3.589 8.135 ( 0.000 0.000 4.181) 4.181 8.139 ( 0.000 0.000 4.578) 4.578 8.358 ( 0.000 0.000 -12.055) 12.055 8.662 ( 0.000 0.000 5.228) 5.228 8.833 ( 0.000 0.000 -3.547) 3.547 9.774 ( 0.000 0.000 13.673) 13.673 10.432 ( 0.000 0.000 -7.600) 7.600 11.210 ( 0.000 0.000 6.141) 6.141 11.501 ( 0.000 0.000 -3.803) 3.803 12.237 ( 0.000 0.000 10.321) 10.321 12.422 ( 0.000 0.000 14.713) 14.713 13.046 ( 0.000 0.000 -11.338) 11.338 13.531 ( 0.000 0.000 -1.501) 1.501 13.727 ( 0.000 0.000 -11.393) 11.393 13.944 ( 0.000 0.000 14.879) 14.879 14.095 ( 0.000 0.000 -8.210) 8.210 14.280 ( 0.000 0.000 7.246) 7.246 14.722 ( 0.000 0.000 -4.623) 4.623 14.897 ( 0.000 0.000 -5.565) 5.565 15.503 ( 0.000 0.000 5.943) 5.943 15.533 ( 0.000 0.000 2.193) 2.193 15.659 ( 0.000 0.000 -3.268) 3.268 15.707 ( 0.000 0.000 4.602) 4.602 16.211 ( 0.000 0.000 3.755) 3.755 16.245 ( 0.000 0.000 -0.874) 0.874 16.292 ( 0.000 0.000 0.709) 0.709 16.305 ( 0.000 0.000 0.723) 0.723 16.473 ( 0.000 0.000 -7.075) 7.075 16.802 ( 0.000 0.000 -9.377) 9.377 17.141 ( 0.000 0.000 0.042) 0.042 17.164 ( 0.000 0.000 -0.820) 0.820 17.897 ( 0.000 0.000 -0.310) 0.310 17.902 ( 0.000 0.000 0.096) 0.096 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 13.091 0.000 22.174) 25.750 1.833 ( -17.122 0.000 28.940) 33.625 2.541 ( -1.800 0.000 -4.947) 5.264 2.887 ( 3.900 0.000 -10.318) 11.030 2.968 ( 0.299 0.000 -2.643) 2.660 3.375 ( 17.746 0.000 15.617) 23.639 3.385 ( -0.249 0.000 -2.135) 2.149 3.546 ( -9.588 0.000 -2.977) 10.040 3.734 ( 0.604 0.000 -4.275) 4.317 3.892 ( -3.846 0.000 -7.762) 8.662 3.920 ( 4.425 0.000 7.880) 9.037 4.608 ( -5.019 0.000 0.259) 5.025 4.638 ( -7.342 0.000 -6.228) 9.628 4.686 ( -8.463 0.000 10.295) 13.327 4.827 ( -7.513 0.000 2.609) 7.953 4.989 ( -19.397 0.000 8.212) 21.063 5.672 ( 1.564 0.000 14.241) 14.326 5.900 ( 23.751 0.000 17.585) 29.552 6.324 ( -4.058 0.000 -23.576) 23.923 6.485 ( -13.792 0.000 -19.856) 24.175 6.724 ( -7.681 0.000 -13.692) 15.700 6.864 ( 3.797 0.000 -5.566) 6.738 7.195 ( 3.347 0.000 6.950) 7.714 7.296 ( -7.507 0.000 -4.032) 8.521 7.341 ( -2.911 0.000 -6.351) 6.986 7.383 ( 0.464 0.000 -0.044) 0.466 7.963 ( -8.614 0.000 -2.923) 9.096 8.155 ( -15.239 0.000 -7.647) 17.050 8.192 ( 5.189 0.000 4.386) 6.794 8.210 ( 6.663 0.000 3.299) 7.435 8.821 ( 11.485 0.000 3.549) 12.021 8.996 ( 14.567 0.000 -4.422) 15.223 9.784 ( 1.013 0.000 13.555) 13.593 10.458 ( 2.052 0.000 -7.522) 7.796 11.217 ( 0.985 0.000 5.745) 5.829 11.492 ( -0.851 0.000 -3.347) 3.453 12.310 ( 7.367 0.000 7.717) 10.669 12.352 ( -6.086 0.000 12.145) 13.584 13.055 ( 0.767 0.000 -11.718) 11.743 13.450 ( -14.372 0.000 -17.908) 22.962 13.723 ( 9.251 0.000 7.116) 11.671 13.905 ( -3.000 0.000 14.390) 14.699 14.243 ( 10.388 0.000 -6.603) 12.309 14.320 ( 3.117 0.000 7.174) 7.821 14.717 ( -0.961 0.000 -5.903) 5.981 14.844 ( -4.793 0.000 -4.582) 6.631 15.534 ( 3.207 0.000 7.651) 8.296 15.549 ( 1.656 0.000 2.260) 2.802 15.671 ( 1.347 0.000 -2.950) 3.243 15.738 ( 3.014 0.000 5.393) 6.178 16.116 ( -4.939 0.000 0.865) 5.014 16.284 ( -0.901 0.000 0.812) 1.213 16.297 ( -0.840 0.000 0.681) 1.081 16.341 ( 4.634 0.000 0.856) 4.712 16.383 ( -6.569 0.000 -3.712) 7.545 16.870 ( 4.673 0.000 -10.800) 11.768 17.139 ( -0.146 0.000 0.193) 0.242 17.170 ( 0.584 0.000 -0.737) 0.941 17.894 ( -0.235 0.000 -0.208) 0.314 17.903 ( 0.027 0.000 0.011) 0.030 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -2.498 0.000 23.856) 23.986 1.864 ( 20.645 0.000 19.094) 28.121 2.505 ( -2.137 0.000 -6.448) 6.793 2.958 ( -0.383 0.000 -0.836) 0.919 2.978 ( 4.946 0.000 -2.872) 5.720 3.304 ( -15.009 0.000 -7.428) 16.746 3.380 ( -0.278 0.000 -6.995) 7.001 3.574 ( -2.042 0.000 -7.046) 7.336 3.787 ( -7.026 0.000 -7.658) 10.393 3.797 ( 8.419 0.000 3.361) 9.065 4.095 ( 14.048 0.000 17.126) 22.151 4.458 ( -9.309 0.000 0.549) 9.325 4.482 ( -9.149 0.000 -0.668) 9.173 4.508 ( -6.163 0.000 11.967) 13.461 4.678 ( -14.206 0.000 -0.006) 14.206 4.708 ( -5.348 0.000 0.681) 5.391 5.717 ( 3.939 0.000 9.792) 10.555 6.095 ( -14.909 0.000 -24.150) 28.381 6.164 ( -13.424 0.000 -21.874) 25.665 6.383 ( 13.348 0.000 16.005) 20.840 6.555 ( -8.784 0.000 -11.941) 14.824 6.874 ( -0.502 0.000 0.219) 0.548 7.112 ( -10.861 0.000 -5.435) 12.145 7.272 ( 3.439 0.000 5.483) 6.472 7.339 ( 1.922 0.000 -5.559) 5.882 7.380 ( -1.093 0.000 1.107) 1.556 7.790 ( -8.347 0.000 -1.340) 8.453 7.865 ( -13.918 0.000 -5.185) 14.852 8.308 ( 6.343 0.000 3.855) 7.422 8.348 ( 6.969 0.000 2.443) 7.385 9.051 ( 12.186 0.000 4.852) 13.116 9.296 ( 15.407 0.000 -2.500) 15.608 9.809 ( 1.608 0.000 12.043) 12.150 10.474 ( -1.193 0.000 -6.552) 6.660 11.258 ( 3.415 0.000 4.502) 5.651 11.474 ( -0.815 0.000 -2.064) 2.219 12.243 ( -4.346 0.000 7.422) 8.601 12.494 ( 11.050 0.000 1.555) 11.159 13.063 ( -0.353 0.000 -12.291) 12.296 13.121 ( -18.221 0.000 -17.887) 25.534 13.868 ( -0.223 0.000 13.791) 13.793 13.970 ( 14.298 0.000 10.043) 17.473 14.365 ( 1.086 0.000 6.692) 6.780 14.407 ( 6.331 0.000 -2.453) 6.789 14.647 ( -6.379 0.000 -7.451) 9.809 14.772 ( -2.089 0.000 -2.127) 2.981 15.595 ( 3.119 0.000 2.566) 4.039 15.615 ( 4.827 0.000 9.453) 10.614 15.713 ( 3.008 0.000 -1.745) 3.478 15.808 ( 3.774 0.000 7.477) 8.375 16.055 ( -0.984 0.000 0.420) 1.070 16.249 ( -5.872 0.000 -2.418) 6.351 16.255 ( -2.087 0.000 1.414) 2.521 16.277 ( -1.228 0.000 0.416) 1.297 16.432 ( 4.032 0.000 2.225) 4.605 16.922 ( 0.218 0.000 -10.516) 10.518 17.138 ( 0.054 0.000 0.417) 0.420 17.182 ( 0.459 0.000 -0.509) 0.685 17.890 ( -0.222 0.000 -0.080) 0.236 17.903 ( -0.066 0.000 -0.096) 0.117 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 17.023 0.000 8.917) 19.217 2.284 ( 22.580 0.000 15.671) 27.485 2.482 ( 0.409 0.000 -5.176) 5.192 2.898 ( -8.421 0.000 -8.931) 12.275 3.010 ( -14.727 0.000 -9.227) 17.379 3.046 ( 1.141 0.000 5.177) 5.301 3.379 ( 0.699 0.000 -10.611) 10.634 3.524 ( 0.352 0.000 1.481) 1.522 3.635 ( -8.334 0.000 -7.005) 10.886 3.858 ( -2.387 0.000 -1.749) 2.959 4.303 ( -8.966 0.000 -2.373) 9.274 4.323 ( -0.498 0.000 9.096) 9.110 4.379 ( -12.032 0.000 -2.336) 12.257 4.424 ( 11.398 0.000 11.379) 16.106 4.552 ( 6.504 0.000 3.793) 7.529 4.631 ( 0.748 0.000 -5.206) 5.260 5.694 ( -23.964 0.000 -23.612) 33.642 5.787 ( -12.782 0.000 -15.598) 20.166 5.877 ( 0.411 0.000 3.828) 3.850 6.406 ( -7.166 0.000 -8.044) 10.773 6.576 ( 4.376 0.000 5.039) 6.674 6.900 ( -8.869 0.000 -3.306) 9.465 6.965 ( 8.718 0.000 3.462) 9.381 7.247 ( -5.106 0.000 -1.658) 5.368 7.358 ( -3.247 0.000 1.694) 3.662 7.366 ( -0.003 0.000 -1.173) 1.173 7.640 ( -4.732 0.000 0.142) 4.735 7.714 ( -2.731 0.000 0.782) 2.841 8.420 ( 5.118 0.000 3.290) 6.084 8.458 ( 4.379 0.000 2.173) 4.889 9.272 ( 10.796 0.000 6.965) 12.847 9.532 ( 7.724 0.000 4.102) 8.746 9.864 ( 5.364 0.000 5.416) 7.623 10.399 ( -6.568 0.000 -4.958) 8.229 11.341 ( 4.784 0.000 2.891) 5.589 11.465 ( -0.229 0.000 -0.567) 0.612 12.211 ( 1.345 0.000 2.313) 2.676 12.700 ( 9.886 0.000 -4.714) 10.952 12.785 ( -16.692 0.000 -14.456) 22.081 13.033 ( -2.768 0.000 -12.072) 12.386 13.912 ( 4.827 0.000 12.661) 13.550 14.222 ( 11.407 0.000 9.551) 14.878 14.340 ( -4.434 0.000 8.133) 9.263 14.482 ( 1.673 0.000 1.344) 2.146 14.545 ( -2.456 0.000 -5.822) 6.319 14.729 ( -3.062 0.000 -2.911) 4.225 15.666 ( 4.206 0.000 3.351) 5.378 15.701 ( 4.025 0.000 8.973) 9.834 15.774 ( 2.879 0.000 0.580) 2.937 15.854 ( 0.582 0.000 8.125) 8.145 16.083 ( 3.232 0.000 2.924) 4.359 16.167 ( -2.545 0.000 0.213) 2.553 16.213 ( -2.053 0.000 1.741) 2.692 16.248 ( -1.824 0.000 0.484) 1.887 16.509 ( 4.448 0.000 0.499) 4.476 16.877 ( -4.679 0.000 -8.300) 9.528 17.143 ( 0.511 0.000 0.431) 0.669 17.184 ( -0.197 0.000 -0.222) 0.297 17.887 ( -0.010 0.000 -0.025) 0.027 17.900 ( -0.213 0.000 -0.174) 0.275 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 22.786 0.000 -2.183) 22.891 2.507 ( -3.391 0.000 0.944) 3.520 2.657 ( -9.223 0.000 -18.919) 21.047 2.691 ( 19.091 0.000 12.119) 22.612 2.761 ( -11.569 0.000 -8.796) 14.533 2.973 ( -9.563 0.000 9.061) 13.174 3.421 ( 3.385 0.000 -9.447) 10.035 3.500 ( -5.324 0.000 -7.113) 8.885 3.607 ( 7.156 0.000 3.973) 8.185 3.753 ( -7.414 0.000 1.194) 7.509 4.166 ( -4.120 0.000 -3.192) 5.212 4.187 ( -6.390 0.000 -3.160) 7.128 4.340 ( 2.982 0.000 5.443) 6.206 4.424 ( -5.171 0.000 7.501) 9.110 4.809 ( 18.803 0.000 -7.220) 20.142 4.915 ( 22.020 0.000 -7.536) 23.274 5.227 ( -24.101 0.000 -16.664) 29.301 5.362 ( -24.160 0.000 -14.314) 28.082 6.061 ( 11.305 0.000 3.939) 11.971 6.258 ( -8.931 0.000 -2.184) 9.195 6.633 ( 3.456 0.000 -4.077) 5.344 6.734 ( -7.211 0.000 -6.364) 9.617 7.172 ( 10.132 0.000 7.145) 12.398 7.177 ( -0.649 0.000 -3.912) 3.965 7.239 ( -6.482 0.000 -3.633) 7.431 7.319 ( -5.080 0.000 3.542) 6.192 7.641 ( 2.359 0.000 4.244) 4.855 7.681 ( -1.602 0.000 3.465) 3.817 8.494 ( 2.483 0.000 2.753) 3.707 8.509 ( 0.925 0.000 2.337) 2.514 9.453 ( 7.982 0.000 8.955) 11.996 9.565 ( -3.149 0.000 9.717) 10.214 10.030 ( 10.886 0.000 -1.678) 11.014 10.236 ( -10.103 0.000 -3.561) 10.712 11.420 ( 3.157 0.000 1.689) 3.580 11.457 ( -0.907 0.000 0.691) 1.140 12.298 ( 7.702 0.000 -3.295) 8.377 12.498 ( -13.051 0.000 -9.195) 15.965 12.858 ( 6.698 0.000 -9.004) 11.222 12.962 ( -4.505 0.000 -11.125) 12.003 14.040 ( 8.194 0.000 11.219) 13.892 14.205 ( -8.612 0.000 9.700) 12.971 14.393 ( 6.562 0.000 7.237) 9.769 14.476 ( -2.248 0.000 4.392) 4.934 14.565 ( 3.627 0.000 -4.161) 5.520 14.652 ( -4.801 0.000 -3.399) 5.882 15.748 ( 4.024 0.000 4.102) 5.747 15.771 ( 3.457 0.000 7.435) 8.200 15.798 ( -0.766 0.000 3.188) 3.278 15.831 ( -2.587 0.000 7.105) 7.561 16.136 ( 1.682 0.000 5.504) 5.755 16.148 ( -0.035 0.000 3.857) 3.857 16.190 ( 0.012 0.000 1.262) 1.262 16.211 ( -1.824 0.000 0.736) 1.967 16.616 ( 6.848 0.000 -2.631) 7.336 16.757 ( -7.399 0.000 -5.563) 9.257 17.157 ( 0.910 0.000 0.265) 0.947 17.174 ( -0.815 0.000 0.039) 0.816 17.889 ( 0.231 0.000 -0.080) 0.244 17.895 ( -0.312 0.000 -0.164) 0.352 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.000 24.742 17.405) 30.251 2.166 ( 0.000 9.574 23.449) 25.328 2.546 ( 0.000 -2.054 2.043) 2.897 2.911 ( 0.000 1.329 -0.146) 1.337 2.976 ( 0.000 9.787 -11.727) 15.274 3.216 ( 0.000 0.878 18.617) 18.638 3.446 ( 0.000 4.754 -1.376) 4.949 3.559 ( 0.000 -7.619 2.185) 7.926 3.667 ( 0.000 -2.917 -11.737) 12.094 3.831 ( 0.000 -3.202 2.532) 4.082 3.961 ( 0.000 1.080 -4.898) 5.016 4.522 ( 0.000 -9.547 -8.415) 12.726 4.621 ( 0.000 -4.122 0.505) 4.153 5.053 ( 0.000 13.841 5.098) 14.750 5.060 ( 0.000 15.646 9.226) 18.163 5.370 ( 0.000 -0.364 7.357) 7.366 5.475 ( 0.000 2.575 21.822) 21.973 5.666 ( 0.000 1.500 17.758) 17.821 6.352 ( 0.000 -0.275 -22.795) 22.796 6.673 ( 0.000 -3.503 -18.303) 18.635 6.701 ( 0.000 -2.662 -10.826) 11.149 6.767 ( 0.000 -2.779 -12.003) 12.321 7.054 ( 0.000 -9.533 5.387) 10.950 7.259 ( 0.000 -7.974 -2.803) 8.452 7.354 ( 0.000 -3.189 -5.711) 6.541 7.397 ( 0.000 -0.701 -3.757) 3.822 7.894 ( 0.000 -7.413 -1.162) 7.504 8.053 ( 0.000 -5.695 -0.738) 5.743 8.369 ( 0.000 13.350 0.964) 13.385 8.471 ( 0.000 8.003 -6.023) 10.016 8.733 ( 0.000 5.581 5.959) 8.164 8.899 ( 0.000 5.010 -2.485) 5.592 9.849 ( 0.000 6.945 11.253) 13.223 10.435 ( 0.000 -0.037 -7.193) 7.193 11.203 ( 0.000 -0.525 5.130) 5.156 11.454 ( 0.000 -4.027 -3.476) 5.320 12.291 ( 0.000 4.583 10.949) 11.869 12.432 ( 0.000 0.884 14.744) 14.770 13.123 ( 0.000 7.136 -11.207) 13.286 13.581 ( 0.000 4.400 -1.706) 4.719 13.706 ( 0.000 -1.108 -9.665) 9.729 13.986 ( 0.000 3.080 11.395) 11.804 14.024 ( 0.000 -5.142 -2.730) 5.822 14.351 ( 0.000 4.732 1.047) 4.846 14.711 ( 0.000 -0.689 -3.454) 3.522 14.875 ( 0.000 -1.553 -4.158) 4.439 15.412 ( 0.000 -8.007 5.276) 9.589 15.477 ( 0.000 -7.413 3.675) 8.274 15.659 ( 0.000 -1.810 3.110) 3.598 15.686 ( 0.000 2.077 -3.272) 3.876 16.189 ( 0.000 -1.974 3.120) 3.692 16.224 ( 0.000 -1.885 -0.290) 1.907 16.291 ( 0.000 -0.029 0.694) 0.695 16.318 ( 0.000 0.969 0.262) 1.003 16.452 ( 0.000 -1.738 -5.859) 6.111 16.608 ( 0.000 -12.334 -2.609) 12.607 17.196 ( 0.000 4.945 0.214) 4.950 17.349 ( 0.000 11.808 -7.265) 13.864 17.856 ( 0.000 -4.291 0.172) 4.295 17.887 ( 0.000 -1.055 -1.579) 1.899 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 8.489 21.095 17.408) 28.637 1.940 ( -16.997 10.516 26.239) 32.984 2.509 ( -1.681 -2.513 -1.262) 3.276 2.930 ( -0.706 2.191 -4.170) 4.763 3.030 ( 2.161 5.786 -5.345) 8.168 3.383 ( 15.303 0.172 12.986) 20.071 3.439 ( -1.098 3.482 -3.271) 4.902 3.495 ( -5.839 -4.061 -4.672) 8.509 3.660 ( -1.741 -6.025 -5.758) 8.514 3.818 ( -1.303 -2.994 -1.114) 3.451 3.952 ( 0.433 0.809 -0.529) 1.059 4.463 ( -6.380 -9.395 -6.835) 13.254 4.599 ( -1.112 -0.866 4.045) 4.284 4.861 ( -15.534 7.348 14.584) 22.539 4.964 ( -10.798 9.877 8.499) 16.923 5.150 ( -7.130 18.642 -1.728) 20.034 5.702 ( 3.223 3.173 14.567) 15.252 5.860 ( 22.020 -3.505 17.782) 28.520 6.320 ( -4.060 -0.322 -22.582) 22.946 6.467 ( -13.111 -1.676 -20.037) 24.004 6.694 ( -6.629 -2.368 -11.344) 13.351 6.808 ( 2.510 -5.221 -5.447) 7.952 7.094 ( 3.955 -8.648 5.241) 10.858 7.237 ( -1.406 -7.210 -3.630) 8.194 7.303 ( -5.592 -1.147 -5.434) 7.881 7.381 ( -0.848 -1.175 -3.126) 3.446 7.824 ( -6.804 -8.342 -1.392) 10.854 7.997 ( -7.512 -7.145 -3.980) 11.104 8.400 ( 1.205 12.240 1.796) 12.430 8.408 ( 1.207 12.316 0.410) 12.382 8.869 ( 10.150 3.740 4.170) 11.593 9.038 ( 12.683 2.987 -2.985) 13.367 9.864 ( 1.472 7.438 11.043) 13.396 10.470 ( 2.989 0.760 -7.416) 8.032 11.199 ( -0.151 -1.516 4.902) 5.133 11.441 ( -1.268 -4.411 -3.217) 5.605 12.357 ( 6.527 3.909 8.636) 11.509 12.374 ( -4.896 1.940 12.340) 13.416 13.129 ( 0.441 6.738 -11.603) 13.425 13.483 ( -14.258 2.866 -18.303) 23.378 13.726 ( 8.312 0.464 7.762) 11.382 13.905 ( -2.840 0.123 10.581) 10.956 14.185 ( 8.707 -3.212 1.392) 9.384 14.394 ( 3.670 3.930 -0.664) 5.418 14.707 ( -0.789 -0.431 -4.052) 4.150 14.836 ( -3.503 -0.378 -3.262) 4.801 15.437 ( 2.592 -7.972 6.672) 10.714 15.503 ( 2.806 -7.052 3.938) 8.551 15.674 ( 1.339 -0.637 1.781) 2.318 15.714 ( 2.997 1.021 -0.582) 3.219 16.103 ( -4.834 -1.210 0.928) 5.068 16.264 ( -0.794 -2.934 0.366) 3.062 16.290 ( -0.066 -0.099 0.670) 0.680 16.337 ( -0.350 -0.358 -0.914) 1.042 16.361 ( -2.624 -1.194 -0.411) 2.912 16.701 ( 5.917 -10.500 -5.117) 13.093 17.197 ( 0.128 4.989 0.281) 4.999 17.340 ( -0.989 10.971 -6.483) 12.782 17.856 ( -0.023 -4.248 0.115) 4.250 17.883 ( -0.357 -1.253 -1.455) 1.953 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -4.009 7.872 22.179) 23.873 2.063 ( 14.668 15.304 15.557) 26.294 2.479 ( -1.256 -2.409 -3.885) 4.740 2.909 ( -1.040 -1.145 0.997) 1.840 3.071 ( 2.115 4.747 -2.903) 5.953 3.269 ( -13.404 -3.480 -8.225) 16.106 3.412 ( -3.316 -0.510 -4.461) 5.582 3.565 ( -2.921 -0.207 -5.839) 6.532 3.670 ( 2.316 -5.802 -2.647) 6.785 3.787 ( 1.160 -1.930 -4.636) 5.154 4.026 ( 6.769 -3.801 5.655) 9.604 4.298 ( -9.874 -8.267 -3.850) 13.441 4.584 ( -11.352 4.806 11.227) 16.674 4.610 ( 0.754 4.174 8.437) 9.443 4.770 ( -6.297 12.689 6.307) 15.507 5.024 ( -7.064 24.187 -2.829) 25.355 5.771 ( 4.595 5.278 9.181) 11.544 6.050 ( -14.247 -2.780 -21.417) 25.873 6.204 ( -10.723 2.325 -20.387) 23.152 6.334 ( 12.202 -4.528 14.412) 19.419 6.549 ( -7.549 -0.329 -9.635) 12.244 6.813 ( 0.028 -5.657 0.383) 5.670 7.119 ( -8.163 -0.934 -5.861) 10.093 7.196 ( 2.868 -5.857 4.562) 7.959 7.268 ( 2.469 -6.005 -3.519) 7.385 7.350 ( -3.275 -2.334 -1.835) 4.420 7.670 ( -8.108 -9.416 -0.721) 12.447 7.790 ( -11.974 -5.569 -4.695) 14.015 8.452 ( 4.863 11.222 3.265) 12.658 8.499 ( 5.471 11.884 1.868) 13.216 9.075 ( 11.098 1.771 5.124) 12.352 9.299 ( 13.178 -0.424 -0.886) 13.215 9.904 ( 2.747 8.888 9.224) 13.101 10.510 ( 0.192 3.035 -7.118) 7.740 11.210 ( 1.680 -4.251 3.961) 6.049 11.413 ( -1.467 -5.311 -2.475) 6.041 12.286 ( -3.129 3.821 7.844) 9.269 12.526 ( 10.191 2.499 3.051) 10.927 13.124 ( -2.615 5.472 -12.581) 13.967 13.175 ( -15.282 4.742 -17.253) 23.531 13.828 ( 0.795 -2.326 11.704) 11.959 13.974 ( 10.117 -0.106 8.683) 13.333 14.305 ( 3.819 -3.355 4.319) 6.670 14.456 ( 2.126 0.631 -2.606) 3.422 14.663 ( -3.470 2.460 -2.969) 5.187 14.786 ( -1.228 1.759 -1.107) 2.414 15.502 ( 3.965 -7.716 7.204) 11.276 15.585 ( 5.535 -6.422 5.074) 9.880 15.704 ( 1.708 -0.152 2.587) 3.103 15.787 ( 3.946 0.584 2.583) 4.752 16.037 ( -1.585 -1.633 0.662) 2.370 16.198 ( -4.663 -3.766 -1.435) 6.163 16.270 ( -1.961 0.611 0.830) 2.215 16.286 ( -1.019 0.777 0.506) 1.378 16.417 ( 3.444 -1.183 2.003) 4.156 16.781 ( 2.071 -9.351 -6.014) 11.310 17.200 ( 0.209 5.113 0.326) 5.128 17.313 ( -1.728 9.141 -4.449) 10.312 17.854 ( -0.103 -4.102 -0.038) 4.104 17.874 ( -0.568 -1.895 -1.078) 2.253 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 14.939 4.649 8.575) 17.842 2.334 ( 10.893 2.254 10.741) 15.463 2.514 ( 7.582 3.555 -2.728) 8.808 2.860 ( -5.752 -3.085 -2.376) 6.946 2.971 ( -14.227 -1.114 -9.038) 16.892 3.109 ( -2.136 2.584 -1.998) 3.903 3.337 ( -2.211 -6.126 -2.226) 6.883 3.505 ( -3.774 -4.054 -2.469) 6.064 3.620 ( -2.259 2.790 -5.939) 6.940 3.817 ( -1.186 -2.365 -2.159) 3.415 4.106 ( -5.046 -5.286 0.444) 7.321 4.138 ( -3.152 -9.436 -2.580) 10.277 4.482 ( 2.647 3.600 2.831) 5.290 4.552 ( -1.979 2.073 -0.307) 2.882 4.829 ( 1.183 20.345 4.485) 20.867 4.908 ( 2.569 23.859 1.871) 24.070 5.647 ( -23.957 -2.415 -22.337) 32.844 5.850 ( -6.323 5.456 -10.563) 13.465 5.972 ( -2.624 7.743 1.227) 8.267 6.419 ( -6.268 1.302 -6.459) 9.094 6.553 ( 6.895 -2.314 6.474) 9.737 6.877 ( 2.891 -4.611 5.722) 7.897 6.958 ( -2.685 1.076 -6.987) 7.562 7.196 ( -5.108 -3.896 -1.365) 6.568 7.261 ( -5.065 -6.941 -0.025) 8.593 7.320 ( 1.909 -5.533 0.261) 5.859 7.547 ( -4.101 -8.723 1.027) 9.693 7.617 ( -5.213 -7.812 -0.312) 9.397 8.549 ( 4.783 10.749 3.155) 12.181 8.591 ( 3.858 11.138 2.056) 11.966 9.278 ( 9.907 0.053 6.869) 12.055 9.496 ( 6.479 -3.467 4.491) 8.612 9.980 ( 5.853 10.462 3.807) 12.578 10.457 ( -5.579 5.383 -5.740) 9.646 11.264 ( 3.564 -7.023 2.202) 8.178 11.390 ( -1.038 -6.547 -1.558) 6.809 12.276 ( 2.384 5.712 3.056) 6.903 12.713 ( 7.720 1.254 -3.187) 8.446 12.859 ( -13.672 6.153 -13.507) 20.180 13.092 ( -3.402 4.959 -12.274) 13.668 13.870 ( 4.184 -2.600 11.130) 12.171 14.125 ( 3.619 -5.967 7.635) 10.344 14.349 ( 1.700 -1.520 4.483) 5.030 14.469 ( -0.312 -2.497 -1.122) 2.756 14.622 ( -0.102 6.953 0.990) 7.024 14.766 ( -1.470 3.950 -0.588) 4.255 15.585 ( 4.634 -7.547 7.237) 11.437 15.691 ( 4.699 -6.637 6.031) 10.124 15.734 ( 1.450 -0.578 4.483) 4.747 15.835 ( 0.742 1.283 3.328) 3.644 16.046 ( 1.909 -3.248 3.127) 4.896 16.132 ( -1.927 -2.449 -0.080) 3.117 16.238 ( -1.168 1.646 1.665) 2.617 16.266 ( -1.092 1.663 0.509) 2.054 16.482 ( 3.767 -2.232 0.723) 4.438 16.775 ( -2.646 -7.574 -5.622) 9.797 17.206 ( 0.479 5.278 0.195) 5.303 17.278 ( -1.821 7.313 -2.202) 7.852 17.852 ( -0.123 -3.865 -0.201) 3.872 17.864 ( -0.513 -2.831 -0.638) 2.947 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 21.009 1.288 -1.959) 21.139 2.455 ( 1.069 -2.792 3.479) 4.587 2.633 ( -8.687 -2.079 -16.757) 18.989 2.698 ( -7.701 -2.164 -2.740) 8.456 2.809 ( 8.835 5.007 2.967) 10.580 3.015 ( -8.275 2.356 4.862) 9.882 3.350 ( 2.452 -7.581 -4.509) 9.155 3.415 ( -4.496 -7.625 -4.809) 10.073 3.650 ( 4.470 4.332 1.740) 6.463 3.748 ( -5.083 0.580 1.258) 5.268 4.006 ( -2.362 -5.154 -1.247) 5.805 4.042 ( -5.526 -5.862 -0.656) 8.083 4.561 ( 5.094 8.885 -3.885) 10.953 4.683 ( -3.386 14.071 -4.582) 15.181 4.747 ( 13.707 0.321 -10.154) 17.061 5.101 ( -4.734 5.351 -9.938) 12.240 5.238 ( -2.603 11.968 -5.023) 13.238 5.531 ( -18.969 13.729 -8.078) 24.770 6.122 ( 10.102 5.619 4.187) 12.295 6.293 ( -7.526 3.316 -1.613) 8.381 6.649 ( 4.878 1.109 -2.556) 5.617 6.763 ( -7.121 2.222 -4.989) 8.974 7.084 ( 1.443 -5.550 -0.031) 5.734 7.122 ( -0.778 -7.453 -2.033) 7.764 7.165 ( 1.993 -4.574 1.209) 5.134 7.294 ( -5.015 -3.338 2.305) 6.450 7.530 ( 1.275 -9.806 4.074) 10.695 7.560 ( -1.752 -11.048 3.435) 11.701 8.620 ( 2.445 10.726 2.738) 11.337 8.637 ( 0.782 10.857 2.329) 11.131 9.442 ( 7.065 -1.535 8.401) 11.083 9.534 ( -2.048 -3.195 8.511) 9.319 10.131 ( 9.393 9.242 -1.618) 13.276 10.313 ( -9.087 7.169 -4.057) 12.265 11.328 ( 2.846 -8.224 0.572) 8.721 11.368 ( -1.424 -7.796 -0.606) 7.948 12.376 ( 7.973 6.830 -2.167) 10.719 12.572 ( -12.208 6.480 -7.760) 15.851 12.892 ( 6.972 2.542 -8.209) 11.066 13.008 ( -5.239 3.634 -10.880) 12.610 13.978 ( 6.620 -4.105 9.930) 12.621 14.098 ( -5.099 -6.532 8.422) 11.815 14.395 ( 3.034 -2.256 2.518) 4.543 14.448 ( -2.086 -3.334 1.077) 4.077 14.657 ( 3.245 7.989 1.915) 8.832 14.722 ( -3.078 6.385 0.703) 7.123 15.670 ( 3.976 -8.319 7.450) 11.854 15.724 ( -1.210 -9.449 7.150) 11.911 15.778 ( 2.877 1.749 4.396) 5.537 15.823 ( -1.646 2.052 3.339) 4.250 16.082 ( 1.734 -3.740 4.444) 6.062 16.111 ( -1.076 -2.552 3.037) 4.110 16.232 ( 0.488 2.590 1.820) 3.203 16.247 ( -0.914 2.682 1.201) 3.078 16.573 ( 5.776 -3.648 -1.930) 7.098 16.689 ( -5.868 -5.494 -4.205) 9.072 17.221 ( 1.055 5.477 -0.121) 5.579 17.246 ( -1.540 6.043 -0.784) 6.285 17.851 ( 0.083 -3.713 -0.290) 3.725 17.855 ( -0.338 -3.490 -0.391) 3.528 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 0.000 15.677 14.634) 21.446 2.409 ( 0.000 8.722 15.606) 17.878 2.535 ( 0.000 4.110 13.726) 14.329 2.929 ( 0.000 -1.332 4.973) 5.148 3.183 ( 0.000 7.705 -11.590) 13.918 3.232 ( 0.000 1.380 4.946) 5.135 3.406 ( 0.000 -5.036 -1.492) 5.252 3.508 ( 0.000 -10.003 -6.014) 11.672 3.568 ( 0.000 6.521 -2.525) 6.993 3.868 ( 0.000 4.937 -6.828) 8.426 3.930 ( 0.000 -3.756 -4.803) 6.097 4.298 ( 0.000 -11.111 -10.013) 14.957 4.600 ( 0.000 4.809 14.189) 14.982 5.079 ( 0.000 -9.811 20.814) 23.010 5.472 ( 0.000 23.092 5.304) 23.693 5.533 ( 0.000 2.657 20.729) 20.899 5.563 ( 0.000 5.822 12.775) 14.039 5.830 ( 0.000 19.669 2.733) 19.858 6.339 ( 0.000 -1.555 -15.205) 15.284 6.581 ( 0.000 -4.551 -19.927) 20.440 6.595 ( 0.000 -7.255 -9.607) 12.039 6.713 ( 0.000 -1.705 -9.877) 10.023 6.823 ( 0.000 -9.134 -1.956) 9.341 7.009 ( 0.000 -16.751 -4.354) 17.307 7.287 ( 0.000 -2.471 -6.034) 6.520 7.325 ( 0.000 -4.599 -5.060) 6.838 7.807 ( 0.000 -0.361 -2.479) 2.505 7.937 ( 0.000 -4.913 -3.295) 5.915 8.630 ( 0.000 9.572 1.344) 9.666 8.637 ( 0.000 6.658 -0.936) 6.723 8.854 ( 0.000 5.241 5.525) 7.615 8.986 ( 0.000 1.920 -0.375) 1.956 10.052 ( 0.000 11.042 5.791) 12.468 10.407 ( 0.000 -3.264 -4.693) 5.717 11.201 ( 0.000 0.776 1.831) 1.989 11.349 ( 0.000 -5.286 -3.048) 6.101 12.399 ( 0.000 4.615 12.785) 13.592 12.455 ( 0.000 1.051 14.912) 14.949 13.339 ( 0.000 12.361 -11.660) 16.993 13.689 ( 0.000 3.682 5.930) 6.980 13.701 ( 0.000 0.751 -18.961) 18.976 13.905 ( 0.000 -5.686 1.439) 5.865 14.064 ( 0.000 5.293 7.288) 9.007 14.404 ( 0.000 -1.927 -6.029) 6.329 14.733 ( 0.000 4.319 1.809) 4.682 14.861 ( 0.000 1.055 -0.466) 1.153 15.184 ( 0.000 -12.498 4.506) 13.286 15.217 ( 0.000 -14.308 5.609) 15.368 15.676 ( 0.000 2.497 0.025) 2.497 15.730 ( 0.000 1.615 -4.056) 4.366 16.136 ( 0.000 -2.635 2.483) 3.620 16.162 ( 0.000 -3.831 1.485) 4.108 16.293 ( 0.000 0.296 0.698) 0.758 16.341 ( 0.000 1.174 -0.413) 1.244 16.391 ( 0.000 -6.726 0.848) 6.780 16.409 ( 0.000 -2.016 -3.399) 3.952 17.341 ( 0.000 8.290 0.457) 8.302 17.579 ( 0.000 8.937 -9.455) 13.010 17.726 ( 0.000 -7.341 0.164) 7.342 17.844 ( 0.000 -3.099 -4.625) 5.567 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -10.935 10.824 21.017) 26.048 2.351 ( -2.040 20.840 13.169) 24.736 2.441 ( -3.436 -3.982 6.848) 8.635 2.936 ( -1.213 -2.969 6.503) 7.251 3.152 ( -2.464 3.418 -8.464) 9.455 3.299 ( -2.576 -6.948 2.135) 7.712 3.451 ( 9.051 0.440 -4.623) 10.173 3.455 ( -4.676 -2.409 -5.477) 7.594 3.590 ( 1.641 2.733 -4.804) 5.766 3.836 ( -3.461 1.076 -7.691) 8.502 3.923 ( 0.013 -1.185 -4.421) 4.577 4.256 ( -4.256 -9.536 -8.775) 13.640 4.640 ( 3.490 5.536 15.279) 16.621 4.901 ( -13.619 -2.245 18.027) 22.704 5.276 ( -10.835 16.364 10.021) 22.036 5.661 ( 3.313 21.775 3.483) 22.300 5.742 ( 15.095 -3.905 17.584) 23.501 5.877 ( 4.270 13.991 7.337) 16.365 6.302 ( -3.869 -2.231 -17.559) 18.118 6.417 ( -11.913 -2.936 -20.020) 23.481 6.608 ( -2.250 -7.679 -6.154) 10.095 6.689 ( -1.761 -2.048 -7.658) 8.120 6.878 ( 4.419 -9.847 -0.285) 10.797 7.005 ( 0.396 -15.738 -4.556) 16.389 7.266 ( -3.180 -1.756 -6.054) 7.061 7.310 ( -1.175 -4.547 -4.686) 6.635 7.715 ( -8.633 -0.776 -1.733) 8.840 7.860 ( -7.952 -5.616 -4.048) 10.543 8.635 ( 1.734 9.351 2.112) 9.742 8.673 ( 3.825 10.279 0.975) 11.011 8.945 ( 7.471 2.965 4.638) 9.281 9.075 ( 8.367 -0.292 -0.181) 8.374 10.084 ( 3.267 12.144 5.391) 13.683 10.461 ( 5.112 -2.586 -5.297) 7.803 11.172 ( -2.813 -0.230 1.789) 3.342 11.325 ( -2.343 -5.891 -3.143) 7.076 12.426 ( -2.310 2.751 12.809) 13.303 12.445 ( 4.500 3.215 11.069) 12.374 13.324 ( -1.553 10.479 -11.980) 15.993 13.547 ( -12.625 1.895 -17.292) 21.494 13.756 ( 5.550 2.787 6.823) 9.227 13.919 ( 0.625 0.616 3.415) 3.526 14.129 ( 5.385 -0.853 4.203) 6.884 14.403 ( -0.459 -4.360 -6.222) 7.611 14.751 ( 1.522 5.539 2.221) 6.159 14.856 ( -0.136 3.041 0.226) 3.052 15.212 ( 2.747 -12.504 6.139) 14.198 15.249 ( 3.366 -14.031 5.930) 15.600 15.700 ( 2.194 2.646 0.574) 3.485 15.755 ( 2.666 1.749 -3.318) 4.602 16.070 ( -4.452 -1.525 1.682) 4.997 16.161 ( -2.222 -5.678 0.903) 6.163 16.292 ( -0.018 0.236 0.754) 0.790 16.319 ( -2.314 -1.025 0.207) 2.539 16.364 ( 1.876 1.181 0.214) 2.227 16.511 ( 5.338 -6.741 -2.399) 8.927 17.343 ( 0.170 8.288 0.465) 8.302 17.559 ( -1.971 8.903 -8.397) 12.396 17.726 ( 0.017 -7.406 0.165) 7.408 17.835 ( -0.978 -3.458 -4.265) 5.577 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -6.043 11.858 17.646) 22.102 2.318 ( -2.629 -0.271 7.759) 8.197 2.472 ( 6.500 8.995 6.147) 12.687 2.901 ( -2.562 -1.142 4.769) 5.533 3.095 ( -3.652 -5.661 -4.762) 8.250 3.162 ( -8.735 -4.072 -2.393) 9.930 3.340 ( -7.167 -0.757 -4.078) 8.281 3.518 ( -5.614 -3.663 -5.334) 8.567 3.668 ( 6.304 2.972 -9.682) 11.930 3.805 ( 1.514 2.203 -6.626) 7.145 3.932 ( 1.049 -3.220 -4.673) 5.771 4.151 ( -6.287 -5.878 -6.401) 10.726 4.653 ( -4.291 1.614 11.604) 12.476 4.660 ( -9.961 1.747 11.280) 15.150 5.198 ( 4.500 24.124 12.080) 27.352 5.607 ( -8.663 26.648 -5.200) 28.499 5.939 ( 4.643 9.767 4.860) 11.856 5.983 ( -6.519 -4.079 -10.071) 12.671 6.187 ( 6.003 -7.918 5.191) 11.210 6.270 ( -4.147 3.538 -12.967) 14.066 6.532 ( -4.731 -3.008 -3.827) 6.788 6.671 ( 0.318 -4.106 -1.314) 4.323 6.949 ( 2.515 -11.846 0.782) 12.135 7.054 ( 4.483 -14.235 -4.414) 15.563 7.162 ( -6.785 -0.461 -4.669) 8.249 7.271 ( -3.607 -5.214 -3.351) 7.171 7.513 ( -11.725 -1.991 -0.557) 11.906 7.664 ( -11.446 -5.750 -3.897) 13.389 8.708 ( 5.315 11.319 3.280) 12.928 8.768 ( 5.639 11.458 1.790) 12.895 9.099 ( 8.292 0.181 5.111) 9.742 9.251 ( 8.818 -4.240 1.528) 9.903 10.167 ( 5.143 14.446 3.886) 15.819 10.567 ( 4.998 0.603 -6.462) 8.191 11.106 ( -3.592 -3.839 1.713) 5.529 11.269 ( -3.239 -7.570 -3.363) 8.894 12.394 ( -0.145 5.950 8.790) 10.616 12.565 ( 7.635 0.230 6.466) 10.008 13.265 ( -8.730 6.473 -13.644) 17.444 13.297 ( -8.982 5.453 -14.962) 18.283 13.825 ( 1.690 3.035 7.512) 8.277 13.978 ( 5.053 0.939 5.491) 7.521 14.216 ( 3.161 -4.770 1.858) 6.016 14.383 ( -1.309 -6.932 -4.563) 8.402 14.776 ( 1.215 7.847 3.913) 8.852 14.873 ( 1.796 6.627 1.976) 7.144 15.279 ( 4.065 -12.613 7.706) 15.330 15.338 ( 5.427 -13.948 6.564) 16.343 15.745 ( 2.167 3.182 2.519) 4.601 15.828 ( 4.556 2.013 -0.918) 5.065 15.993 ( -3.221 -1.833 1.687) 4.072 16.101 ( -2.877 -4.820 -0.724) 5.660 16.284 ( -0.774 0.721 1.071) 1.505 16.303 ( 0.210 0.518 0.868) 1.032 16.402 ( 1.848 0.401 0.940) 2.112 16.589 ( 2.609 -7.937 -2.894) 8.843 17.347 ( 0.292 8.287 0.382) 8.301 17.510 ( -2.955 8.761 -5.937) 10.988 17.727 ( 0.010 -7.472 0.069) 7.473 17.809 ( -1.654 -4.361 -3.257) 5.689 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 9.728 8.519 6.778) 14.600 2.309 ( 2.482 -4.634 2.750) 5.933 2.620 ( 7.073 5.264 3.265) 9.402 2.814 ( -7.020 -1.208 0.813) 7.170 2.926 ( -10.452 -2.907 -7.052) 12.939 3.112 ( 0.887 -5.622 -1.455) 5.875 3.194 ( -7.582 -1.231 -1.417) 7.811 3.364 ( -8.471 -6.635 -5.051) 11.887 3.752 ( 2.323 6.111 -5.699) 8.673 3.821 ( -0.610 3.504 -3.378) 4.905 3.967 ( 1.035 -6.434 -4.499) 7.918 4.038 ( -4.928 -2.831 -3.538) 6.694 4.549 ( 0.247 2.319 2.190) 3.199 4.576 ( -0.574 0.629 -0.006) 0.852 5.279 ( -8.861 18.003 -5.496) 20.805 5.432 ( -3.731 18.778 -3.877) 19.533 5.646 ( -14.349 6.635 -11.753) 19.699 6.056 ( 3.123 14.918 -2.240) 15.406 6.186 ( -1.765 12.063 0.904) 12.225 6.452 ( 7.308 -4.245 7.627) 11.384 6.455 ( 3.081 -3.420 1.175) 4.751 6.716 ( 4.388 -7.390 3.174) 9.162 6.952 ( -2.252 -6.436 -6.262) 9.258 7.056 ( -3.950 -6.140 0.301) 7.308 7.134 ( 0.291 -11.092 -3.564) 11.654 7.164 ( -4.566 -4.827 -1.874) 6.903 7.307 ( -8.263 -7.231 2.833) 11.340 7.455 ( -10.189 -6.875 -2.181) 12.483 8.814 ( 5.324 12.599 3.524) 14.124 8.867 ( 4.245 13.005 2.400) 13.890 9.249 ( 7.163 -3.138 6.121) 9.931 9.382 ( 4.540 -7.081 4.268) 9.432 10.275 ( 6.235 15.916 1.159) 17.133 10.611 ( -1.082 7.604 -6.625) 10.143 11.063 ( -0.371 -10.357 0.940) 10.406 11.207 ( -3.226 -9.992 -3.388) 11.033 12.436 ( 4.579 8.666 4.241) 10.679 12.721 ( 8.274 -1.639 0.983) 8.492 13.015 ( -12.897 7.735 -11.863) 19.155 13.193 ( -5.999 2.754 -12.202) 13.873 13.869 ( 3.332 3.699 7.129) 8.695 14.044 ( 1.063 -0.427 5.481) 5.600 14.255 ( 1.511 -6.738 0.081) 6.906 14.359 ( -1.334 -7.533 -1.403) 7.778 14.811 ( 2.560 10.423 5.751) 12.176 14.903 ( 0.937 8.558 3.206) 9.186 15.359 ( 4.056 -12.811 8.225) 15.756 15.430 ( 3.487 -14.407 7.007) 16.396 15.782 ( 2.062 3.275 4.161) 5.682 15.896 ( 1.442 3.651 1.288) 4.132 15.960 ( 0.391 -4.230 3.370) 5.422 16.070 ( -0.732 -3.343 -0.029) 3.422 16.276 ( 0.194 1.925 1.422) 2.401 16.312 ( 0.650 2.159 0.331) 2.279 16.433 ( 1.655 -1.631 0.925) 2.500 16.604 ( -1.021 -7.686 -2.840) 8.258 17.355 ( 0.586 8.289 0.059) 8.310 17.453 ( -2.856 8.539 -3.390) 9.621 17.727 ( 0.113 -7.399 -0.169) 7.402 17.776 ( -1.671 -5.457 -2.033) 6.058 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 16.582 3.471 -1.870) 17.045 2.407 ( 5.835 -2.257 1.071) 6.348 2.574 ( -10.714 -2.761 -9.626) 14.665 2.633 ( -10.481 -3.530 -4.021) 11.768 2.902 ( 7.337 3.676 1.615) 8.364 3.049 ( -7.058 1.323 0.175) 7.183 3.153 ( 2.378 -8.961 -1.287) 9.360 3.226 ( -5.643 -8.138 -3.450) 10.487 3.776 ( 1.048 6.360 0.165) 6.448 3.800 ( -1.308 3.762 -0.074) 3.984 3.943 ( -1.323 -2.443 -1.871) 3.349 3.964 ( -3.211 -2.418 -1.203) 4.196 4.684 ( 11.481 3.126 -9.913) 15.487 4.712 ( 15.722 0.052 -10.312) 18.802 4.975 ( -17.245 8.136 -14.211) 23.781 5.100 ( -22.697 -1.008 -17.636) 28.761 5.740 ( 11.881 28.227 7.987) 31.650 5.952 ( -9.766 24.866 1.110) 26.738 6.290 ( 7.520 9.236 3.978) 12.557 6.397 ( -3.667 5.874 -0.615) 6.952 6.649 ( 8.090 -2.225 2.188) 8.671 6.766 ( -2.162 -4.587 2.103) 5.490 6.934 ( -1.331 -9.344 -4.000) 10.251 6.980 ( -6.384 -5.710 -3.565) 9.277 7.032 ( 5.239 -4.804 1.823) 7.338 7.181 ( -4.575 -6.360 2.006) 8.088 7.227 ( 1.002 -17.512 2.644) 17.739 7.289 ( -5.889 -10.871 0.629) 12.379 8.895 ( 2.907 13.685 3.333) 14.382 8.916 ( 0.781 13.981 2.903) 14.300 9.364 ( 4.700 -6.107 6.744) 10.241 9.418 ( -0.702 -7.659 6.272) 9.925 10.403 ( 7.073 15.310 -1.955) 16.977 10.534 ( -6.159 12.895 -4.665) 15.033 11.089 ( 2.600 -13.525 -1.145) 13.820 11.146 ( -3.177 -12.458 -2.738) 13.145 12.564 ( 8.656 10.097 -0.695) 13.318 12.750 ( -9.696 9.352 -5.519) 14.558 12.914 ( 6.755 -1.682 -5.279) 8.736 13.061 ( -7.623 -0.346 -9.165) 11.926 13.947 ( 4.431 2.599 6.259) 8.097 14.021 ( -2.977 0.767 5.550) 6.344 14.287 ( 1.954 -7.486 -0.109) 7.738 14.327 ( -2.025 -7.751 -0.239) 8.015 14.864 ( 2.664 10.946 5.668) 12.611 14.902 ( -1.095 10.076 4.483) 11.082 15.424 ( 2.687 -13.648 7.872) 15.983 15.457 ( -0.484 -14.346 7.311) 16.108 15.832 ( 3.126 3.201 4.232) 6.158 15.885 ( -1.970 3.541 3.062) 5.079 15.997 ( 2.692 -4.071 4.228) 6.457 16.047 ( -2.093 -3.381 2.801) 4.864 16.294 ( 1.513 3.288 1.270) 3.836 16.317 ( -0.492 3.863 0.692) 3.955 16.480 ( 3.545 -4.577 -0.609) 5.822 16.556 ( -3.770 -6.444 -2.105) 7.756 17.372 ( 1.273 8.285 -0.546) 8.400 17.405 ( -2.150 8.348 -1.586) 8.765 17.733 ( 0.513 -7.081 -0.525) 7.119 17.749 ( -1.146 -6.429 -1.091) 6.620 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 0.000 -4.706 14.215) 14.974 2.407 ( 0.000 4.706 14.215) 14.974 2.781 ( 0.000 -12.090 15.918) 19.988 2.781 ( 0.000 12.090 15.918) 19.988 3.263 ( 0.000 -0.530 -8.600) 8.616 3.263 ( 0.000 0.530 -8.600) 8.616 3.368 ( 0.000 -1.371 -6.591) 6.733 3.368 ( 0.000 1.371 -6.591) 6.733 3.742 ( 0.000 -9.424 -3.393) 10.016 3.742 ( 0.000 9.424 -3.393) 10.016 4.066 ( 0.000 -10.089 -9.978) 14.189 4.066 ( 0.000 10.089 -9.978) 14.189 4.816 ( 0.000 -13.143 21.021) 24.791 4.816 ( 0.000 13.143 21.021) 24.791 5.579 ( 0.000 -1.481 19.468) 19.524 5.579 ( 0.000 1.481 19.468) 19.524 5.950 ( 0.000 -17.703 4.646) 18.302 5.950 ( 0.000 17.703 4.646) 18.302 6.478 ( 0.000 -10.377 -16.626) 19.598 6.478 ( 0.000 10.377 -16.626) 19.598 6.565 ( 0.000 -14.783 -8.450) 17.028 6.565 ( 0.000 14.783 -8.450) 17.028 6.716 ( 0.000 -1.636 -8.236) 8.397 6.716 ( 0.000 1.636 -8.236) 8.397 7.266 ( 0.000 -0.717 -5.977) 6.020 7.266 ( 0.000 0.717 -5.977) 6.020 7.847 ( 0.000 -3.380 -3.557) 4.907 7.847 ( 0.000 3.380 -3.557) 4.907 8.725 ( 0.000 -0.707 2.248) 2.356 8.725 ( 0.000 0.707 2.248) 2.356 8.960 ( 0.000 -4.049 1.931) 4.486 8.960 ( 0.000 4.049 1.931) 4.486 10.276 ( 0.000 -8.879 0.222) 8.882 10.276 ( 0.000 8.879 0.222) 8.882 11.248 ( 0.000 -3.692 -1.744) 4.084 11.248 ( 0.000 3.692 -1.744) 4.084 12.461 ( 0.000 -0.996 14.502) 14.536 12.461 ( 0.000 0.996 14.502) 14.536 13.597 ( 0.000 -9.799 -14.124) 17.190 13.597 ( 0.000 9.799 -14.124) 17.190 13.789 ( 0.000 -4.949 3.643) 6.145 13.789 ( 0.000 4.949 3.643) 6.145 14.250 ( 0.000 -10.534 -2.834) 10.909 14.250 ( 0.000 10.534 -2.834) 10.909 14.901 ( 0.000 -7.823 6.418) 10.119 14.901 ( 0.000 7.823 6.418) 10.119 14.971 ( 0.000 -4.754 1.496) 4.984 14.971 ( 0.000 4.754 1.496) 4.984 15.731 ( 0.000 -1.787 -3.137) 3.610 15.731 ( 0.000 1.787 -3.137) 3.610 16.103 ( 0.000 -0.463 3.032) 3.067 16.103 ( 0.000 0.463 3.032) 3.067 16.311 ( 0.000 -1.652 0.816) 1.842 16.311 ( 0.000 1.652 0.816) 1.842 16.371 ( 0.000 -1.557 -1.464) 2.137 16.371 ( 0.000 1.557 -1.464) 2.137 17.533 ( 0.000 -9.119 0.401) 9.128 17.533 ( 0.000 9.119 0.401) 9.128 17.749 ( 0.000 -5.828 -7.838) 9.767 17.749 ( 0.000 5.828 -7.838) 9.767 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -8.195 -7.101 14.950) 18.469 2.324 ( -8.195 7.101 14.950) 18.469 2.740 ( -1.944 -14.893 11.904) 19.165 2.740 ( -1.944 14.893 11.904) 19.165 3.187 ( -5.635 -2.665 -4.759) 7.843 3.187 ( -5.635 2.665 -4.759) 7.843 3.461 ( 4.480 -1.116 -8.818) 9.953 3.461 ( 4.480 1.116 -8.818) 9.953 3.706 ( -2.234 -7.772 -4.286) 9.152 3.706 ( -2.234 7.772 -4.286) 9.152 4.054 ( -1.292 -9.140 -9.875) 13.517 4.054 ( -1.292 9.140 -9.875) 13.517 4.795 ( -3.417 -7.185 18.890) 20.497 4.795 ( -3.417 7.185 18.890) 20.497 5.565 ( 2.092 -10.232 18.029) 20.835 5.565 ( 2.092 10.232 18.029) 20.835 6.056 ( 8.302 -14.147 5.024) 17.155 6.056 ( 8.302 14.147 5.024) 17.155 6.322 ( -13.514 -8.962 -16.972) 23.473 6.322 ( -13.514 8.962 -16.972) 23.473 6.602 ( 2.229 -14.473 -8.345) 16.854 6.602 ( 2.229 14.473 -8.345) 16.854 6.723 ( 0.394 -4.652 -5.393) 7.133 6.723 ( 0.394 4.652 -5.393) 7.133 7.251 ( -1.884 -0.722 -5.722) 6.067 7.251 ( -1.884 0.722 -5.722) 6.067 7.758 ( -8.600 -3.818 -3.126) 9.915 7.758 ( -8.600 3.818 -3.126) 9.915 8.768 ( 4.405 -2.014 2.527) 5.463 8.768 ( 4.405 2.014 2.527) 5.463 9.020 ( 5.546 -4.193 2.218) 7.298 9.020 ( 5.546 4.193 2.218) 7.298 10.330 ( 5.300 -9.551 -0.216) 10.925 10.330 ( 5.300 9.551 -0.216) 10.925 11.213 ( -3.591 -3.993 -1.995) 5.729 11.213 ( -3.591 3.993 -1.995) 5.729 12.470 ( 1.193 -0.874 12.809) 12.894 12.470 ( 1.193 0.874 12.809) 12.894 13.512 ( -7.166 -5.657 -13.482) 16.282 13.512 ( -7.166 5.657 -13.482) 16.282 13.855 ( 5.058 -5.761 3.223) 8.316 13.855 ( 5.058 5.761 3.223) 8.316 14.234 ( -1.349 -9.315 -2.717) 9.796 14.234 ( -1.349 9.315 -2.717) 9.796 14.933 ( 2.947 -9.747 6.556) 12.111 14.933 ( 2.947 9.747 6.556) 12.111 14.995 ( 2.526 -7.722 2.971) 8.650 14.995 ( 2.526 7.722 2.971) 8.650 15.757 ( 2.604 -1.848 -2.413) 4.002 15.757 ( 2.604 1.848 -2.413) 4.002 16.068 ( -3.188 -2.171 2.292) 4.487 16.068 ( -3.188 2.171 2.292) 4.487 16.301 ( -0.426 -0.621 0.768) 1.076 16.301 ( -0.426 0.621 0.768) 1.076 16.408 ( 2.819 -3.154 -0.964) 4.339 16.408 ( 2.819 3.154 -0.964) 4.339 17.534 ( 0.117 -9.054 0.363) 9.062 17.534 ( 0.117 9.054 0.363) 9.062 17.732 ( -1.734 -6.113 -7.052) 9.492 17.732 ( -1.734 6.113 -7.052) 9.492 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -5.832 -10.185 11.550) 16.466 2.168 ( -5.832 10.185 11.550) 16.466 2.739 ( 1.261 -12.416 7.658) 14.642 2.739 ( 1.261 12.416 7.658) 14.642 3.063 ( -6.963 -3.622 -3.012) 8.407 3.063 ( -6.963 3.622 -3.012) 8.407 3.420 ( -7.773 -5.450 -6.843) 11.702 3.420 ( -7.773 5.450 -6.843) 11.702 3.744 ( 5.565 -4.410 -7.580) 10.387 3.744 ( 5.565 4.410 -7.580) 10.387 4.014 ( -2.933 -6.952 -8.191) 11.136 4.014 ( -2.933 6.952 -8.191) 11.136 4.675 ( -7.790 -0.362 12.013) 14.322 4.675 ( -7.790 0.362 12.013) 14.322 5.692 ( 7.118 -18.827 11.708) 23.285 5.692 ( 7.118 18.827 11.708) 23.285 6.026 ( -13.602 -6.781 -13.663) 20.437 6.026 ( -13.602 6.781 -13.663) 20.437 6.212 ( 7.458 -12.890 3.815) 15.373 6.212 ( 7.458 12.890 3.815) 15.373 6.617 ( -0.992 -16.146 -4.440) 16.775 6.617 ( -0.992 16.146 -4.440) 16.775 6.749 ( 2.602 -7.080 -2.855) 8.065 6.749 ( 2.602 7.080 -2.855) 8.065 7.184 ( -5.046 -2.487 -4.410) 7.148 7.184 ( -5.046 2.487 -4.410) 7.148 7.555 ( -11.866 -4.209 -2.453) 12.827 7.555 ( -11.866 4.209 -2.453) 12.827 8.882 ( 7.161 -3.031 3.278) 8.439 8.882 ( 7.161 3.031 3.278) 8.439 9.136 ( 5.768 -5.040 3.048) 8.244 9.136 ( 5.768 5.040 3.048) 8.244 10.457 ( 7.465 -10.898 -1.093) 13.255 10.457 ( 7.465 10.898 -1.093) 13.255 11.120 ( -5.837 -5.146 -2.706) 8.239 11.120 ( -5.837 5.146 -2.706) 8.239 12.516 ( 3.777 -4.613 8.830) 10.655 12.516 ( 3.777 4.613 8.830) 10.655 13.352 ( -9.356 -0.940 -13.467) 16.425 13.352 ( -9.356 0.940 -13.467) 16.425 13.945 ( 4.175 -6.002 4.102) 8.383 13.945 ( 4.175 6.002 4.102) 8.383 14.211 ( -1.031 -6.634 -2.034) 7.015 14.211 ( -1.031 6.634 -2.034) 7.015 14.995 ( 3.258 -12.062 6.659) 14.158 14.995 ( 3.258 12.062 6.659) 14.158 15.065 ( 4.529 -10.553 5.516) 12.740 15.065 ( 4.529 10.553 5.516) 12.740 15.818 ( 3.199 -2.980 0.569) 4.409 15.818 ( 3.199 2.980 0.569) 4.409 16.008 ( -2.425 -3.362 0.607) 4.190 16.008 ( -2.425 3.362 0.607) 4.190 16.300 ( 0.319 -0.666 1.194) 1.404 16.300 ( 0.319 0.666 1.194) 1.404 16.454 ( 1.681 -4.508 -0.801) 4.877 16.454 ( 1.681 4.508 -0.801) 4.877 17.537 ( 0.214 -8.873 0.213) 8.879 17.537 ( 0.214 8.873 0.213) 8.879 17.688 ( -2.721 -6.710 -5.170) 8.896 17.688 ( -2.721 6.710 -5.170) 8.896 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 4.880 -8.876 3.794) 10.816 2.156 ( 4.880 8.876 3.794) 10.816 2.733 ( -4.212 -5.503 2.327) 7.311 2.733 ( -4.212 5.503 2.327) 7.311 2.960 ( -1.983 -5.899 -1.655) 6.439 2.960 ( -1.983 5.899 -1.655) 6.439 3.249 ( -8.957 -4.261 -5.531) 11.357 3.249 ( -8.957 4.261 -5.531) 11.357 3.846 ( 3.840 -4.075 -4.986) 7.497 3.846 ( 3.840 4.075 -4.986) 7.497 3.950 ( -3.383 -5.394 -4.612) 7.862 3.950 ( -3.383 5.394 -4.612) 7.862 4.578 ( -0.133 -0.543 1.421) 1.527 4.578 ( -0.133 0.543 1.421) 1.527 5.502 ( -21.498 -4.158 -17.912) 28.289 5.502 ( -21.498 4.158 -17.912) 28.289 6.081 ( 12.842 -22.949 11.311) 28.627 6.081 ( 12.842 22.949 11.311) 28.627 6.356 ( 7.720 -6.675 3.293) 10.724 6.356 ( 7.720 6.675 3.293) 10.724 6.583 ( -2.046 -18.650 0.137) 18.762 6.583 ( -2.046 18.650 0.137) 18.762 6.792 ( 0.963 -9.059 -2.082) 9.345 6.792 ( 0.963 9.059 -2.082) 9.345 7.079 ( -5.016 -3.171 -2.917) 6.613 7.079 ( -5.016 3.171 -2.917) 6.613 7.326 ( -11.749 -4.850 -1.655) 12.818 7.326 ( -11.749 4.850 -1.655) 12.818 9.025 ( 7.451 -3.887 4.064) 9.335 9.025 ( 7.451 3.887 4.064) 9.335 9.218 ( 2.475 -5.577 3.993) 7.292 9.218 ( 2.475 5.577 3.993) 7.292 10.599 ( 7.283 -11.719 -1.968) 13.937 10.599 ( 7.283 11.719 -1.968) 13.937 10.999 ( -6.760 -7.226 -3.417) 10.468 10.999 ( -6.760 7.226 -3.417) 10.468 12.619 ( 6.994 -7.527 4.028) 11.036 12.619 ( 6.994 7.527 4.028) 11.036 13.163 ( -10.314 -5.180 -11.010) 15.951 13.163 ( -10.314 5.180 -11.010) 15.951 14.017 ( 3.582 -7.556 3.663) 9.129 14.017 ( 3.582 7.556 3.663) 9.129 14.188 ( -1.595 -5.928 -0.748) 6.185 14.188 ( -1.595 5.928 -0.748) 6.185 15.056 ( 3.208 -9.572 6.601) 12.062 15.056 ( 3.208 9.572 6.601) 12.062 15.144 ( 2.962 -8.831 6.994) 11.648 15.144 ( 2.962 8.831 6.994) 11.648 15.863 ( 1.814 -4.159 3.851) 5.951 15.863 ( 1.814 4.159 3.851) 5.951 15.989 ( -0.168 -4.132 0.401) 4.155 15.989 ( -0.168 4.132 0.401) 4.155 16.318 ( 1.773 -1.633 0.998) 2.609 16.318 ( 1.773 1.633 0.998) 2.609 16.465 ( -0.592 -4.800 -0.615) 4.875 16.465 ( -0.592 4.800 -0.615) 4.875 17.544 ( 0.483 -8.599 -0.112) 8.614 17.544 ( 0.483 8.599 -0.112) 8.614 17.634 ( -2.721 -7.286 -3.145) 8.389 17.634 ( -2.721 7.286 -3.145) 8.389 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 11.892 -4.861 -2.381) 13.066 2.327 ( 11.892 4.861 -2.381) 13.066 2.565 ( -11.882 -2.071 -3.197) 12.478 2.565 ( -11.882 2.071 -3.197) 12.478 2.996 ( 4.300 -5.631 -0.593) 7.110 2.996 ( 4.300 5.631 -0.593) 7.110 3.100 ( -6.578 -3.823 -2.834) 8.119 3.100 ( -6.578 3.823 -2.834) 8.119 3.878 ( 0.427 -3.595 -1.049) 3.769 3.878 ( 0.427 3.595 -1.049) 3.769 3.897 ( -1.922 -4.253 -0.976) 4.768 3.897 ( -1.922 4.253 -0.976) 4.768 4.715 ( 14.147 -0.222 -10.367) 17.540 4.715 ( 14.147 0.222 -10.367) 17.540 5.072 ( -21.967 -2.065 -17.066) 27.894 5.072 ( -21.967 2.065 -17.066) 27.894 6.303 ( 9.553 -19.237 6.695) 22.497 6.303 ( 9.553 19.237 6.695) 22.497 6.434 ( -2.978 -9.852 1.929) 10.472 6.434 ( -2.978 9.852 1.929) 10.472 6.611 ( 7.505 -11.911 5.062) 14.960 6.611 ( 7.505 11.911 5.062) 14.960 6.755 ( -5.292 -7.938 0.785) 9.572 6.755 ( -5.292 7.938 0.785) 9.572 7.034 ( 1.082 -1.026 -2.561) 2.964 7.034 ( 1.082 1.026 -2.561) 2.964 7.127 ( -8.369 -3.634 -1.586) 9.261 7.127 ( -8.369 3.634 -1.586) 9.261 9.152 ( 5.481 -4.716 4.543) 8.539 9.152 ( 5.481 4.716 4.543) 8.539 9.224 ( -1.846 -5.387 4.546) 7.286 9.224 ( -1.846 5.387 4.546) 7.286 10.734 ( 6.967 -11.243 -2.848) 13.530 10.734 ( 6.967 11.243 -2.848) 13.530 10.867 ( -6.972 -9.546 -3.481) 12.322 10.867 ( -6.972 9.546 -3.481) 12.322 12.776 ( 9.310 -8.540 -1.106) 12.682 12.776 ( 9.310 8.540 -1.106) 12.682 12.965 ( -10.312 -7.739 -6.384) 14.387 12.965 ( -10.312 7.739 -6.384) 14.387 14.085 ( 3.486 -7.203 2.258) 8.315 14.085 ( 3.486 7.203 2.258) 8.315 14.146 ( -2.800 -6.357 0.717) 6.983 14.146 ( -2.800 6.357 0.717) 6.983 15.117 ( 3.086 -8.091 6.690) 10.943 15.117 ( 3.086 8.091 6.690) 10.943 15.161 ( -1.082 -7.951 7.080) 10.701 15.161 ( -1.082 7.951 7.080) 10.701 15.910 ( 3.189 -3.876 4.175) 6.528 15.910 ( 3.189 3.876 4.175) 6.528 15.968 ( -2.353 -3.864 2.920) 5.385 15.968 ( -2.353 3.864 2.920) 5.385 16.369 ( 3.410 -2.868 0.292) 4.466 16.369 ( 3.410 2.868 0.292) 4.466 16.432 ( -2.767 -4.096 -0.223) 4.948 16.432 ( -2.767 4.096 -0.223) 4.948 17.558 ( 1.133 -8.237 -0.676) 8.342 17.558 ( 1.133 8.237 -0.676) 8.342 17.588 ( -2.025 -7.789 -1.622) 8.210 17.588 ( -2.025 7.789 -1.622) 8.210 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 0.000 0.000 24.553) 24.553 2.417 ( 0.000 0.000 -24.136) 24.136 2.461 ( 0.000 0.000 13.289) 13.289 2.715 ( 0.000 0.000 -11.778) 11.778 2.744 ( 0.000 0.000 16.661) 16.661 3.135 ( 0.000 0.000 -18.105) 18.105 3.532 ( 0.000 0.000 10.069) 10.069 3.710 ( 0.000 0.000 3.178) 3.178 3.718 ( 0.000 0.000 1.815) 1.815 3.745 ( 0.000 0.000 -9.827) 9.827 4.184 ( 0.000 0.000 17.232) 17.232 4.474 ( 0.000 0.000 -11.804) 11.804 4.698 ( 0.000 0.000 3.624) 3.624 4.783 ( 0.000 0.000 -3.391) 3.391 5.143 ( 0.000 0.000 21.240) 21.240 5.709 ( 0.000 0.000 -27.316) 27.316 5.748 ( 0.000 0.000 18.817) 18.817 5.879 ( 0.000 0.000 15.267) 15.267 6.109 ( 0.000 0.000 16.077) 16.077 6.338 ( 0.000 0.000 -14.552) 14.552 6.438 ( 0.000 0.000 -15.630) 15.630 6.480 ( 0.000 0.000 -17.160) 17.160 7.293 ( 0.000 0.000 5.030) 5.030 7.314 ( 0.000 0.000 -1.661) 1.661 7.316 ( 0.000 0.000 -1.505) 1.505 7.360 ( 0.000 0.000 -1.573) 1.573 8.031 ( 0.000 0.000 1.478) 1.478 8.135 ( 0.000 0.000 -8.407) 8.407 8.197 ( 0.000 0.000 1.698) 1.698 8.201 ( 0.000 0.000 1.383) 1.383 8.739 ( 0.000 0.000 2.523) 2.523 8.782 ( 0.000 0.000 -1.922) 1.922 10.042 ( 0.000 0.000 11.738) 11.738 10.259 ( 0.000 0.000 -9.164) 9.164 11.325 ( 0.000 0.000 4.938) 4.938 11.419 ( 0.000 0.000 -4.141) 4.141 12.486 ( 0.000 0.000 13.307) 13.307 12.775 ( 0.000 0.000 -13.969) 13.969 12.787 ( 0.000 0.000 19.856) 19.856 13.221 ( 0.000 0.000 -20.822) 20.822 13.752 ( 0.000 0.000 6.945) 6.945 13.918 ( 0.000 0.000 -8.529) 8.529 14.239 ( 0.000 0.000 12.738) 12.738 14.403 ( 0.000 0.000 0.492) 0.492 14.630 ( 0.000 0.000 -0.695) 0.695 14.745 ( 0.000 0.000 -8.145) 8.145 15.573 ( 0.000 0.000 1.645) 1.645 15.607 ( 0.000 0.000 -1.853) 1.853 15.630 ( 0.000 0.000 5.595) 5.595 15.719 ( 0.000 0.000 -2.552) 2.552 16.254 ( 0.000 0.000 1.924) 1.924 16.306 ( 0.000 0.000 0.527) 0.527 16.312 ( 0.000 0.000 -0.038) 0.038 16.315 ( 0.000 0.000 -1.226) 1.226 16.391 ( 0.000 0.000 5.837) 5.837 16.593 ( 0.000 0.000 -10.464) 10.464 17.143 ( 0.000 0.000 0.191) 0.191 17.150 ( 0.000 0.000 -0.494) 0.494 17.896 ( 0.000 0.000 0.166) 0.166 17.901 ( 0.000 0.000 -0.219) 0.219 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 10.481 0.000 23.341) 25.586 2.336 ( -13.332 0.000 17.504) 22.003 2.495 ( 7.886 0.000 -22.812) 24.137 2.506 ( -7.902 0.000 -0.760) 7.939 2.911 ( 5.105 0.000 0.872) 5.179 3.133 ( -1.073 0.000 -17.615) 17.648 3.509 ( -2.419 0.000 9.575) 9.875 3.662 ( -3.826 0.000 4.370) 5.808 3.713 ( -3.361 0.000 -9.442) 10.023 3.716 ( -0.142 0.000 -1.106) 1.115 4.241 ( 5.439 0.000 14.425) 15.416 4.469 ( -0.731 0.000 -9.157) 9.186 4.640 ( -5.826 0.000 3.246) 6.669 4.724 ( -6.168 0.000 -3.687) 7.186 5.093 ( -4.807 0.000 23.496) 23.983 5.364 ( -23.025 0.000 24.329) 33.497 5.676 ( -3.658 0.000 -26.911) 27.159 5.880 ( -15.466 0.000 -22.339) 27.170 6.079 ( -2.787 0.000 13.707) 13.988 6.399 ( 17.131 0.000 14.379) 22.366 6.415 ( -6.090 0.000 -16.008) 17.127 6.693 ( 13.966 0.000 -11.595) 18.152 7.230 ( -8.097 0.000 -1.628) 8.259 7.243 ( -6.050 0.000 -2.686) 6.620 7.323 ( 2.839 0.000 4.682) 5.476 7.380 ( 1.707 0.000 -0.907) 1.933 7.931 ( -8.900 0.000 0.441) 8.911 7.999 ( -11.585 0.000 -6.068) 13.078 8.255 ( 5.108 0.000 1.589) 5.349 8.259 ( 5.664 0.000 1.200) 5.789 8.882 ( 12.291 0.000 2.363) 12.516 8.929 ( 13.721 0.000 -2.400) 13.929 10.056 ( 1.179 0.000 12.121) 12.179 10.282 ( 1.891 0.000 -9.536) 9.721 11.327 ( 0.360 0.000 4.748) 4.762 11.417 ( -0.100 0.000 -3.920) 3.921 12.517 ( 3.088 0.000 11.811) 12.208 12.661 ( -10.825 0.000 17.211) 20.332 12.785 ( 0.956 0.000 -13.474) 13.508 13.050 ( -14.539 0.000 -19.560) 24.372 13.896 ( 13.153 0.000 8.895) 15.878 14.081 ( 13.132 0.000 -8.609) 15.702 14.197 ( -3.342 0.000 13.062) 13.483 14.405 ( -0.562 0.000 -3.805) 3.846 14.622 ( -0.823 0.000 1.402) 1.625 14.734 ( -1.112 0.000 -6.137) 6.237 15.589 ( 1.783 0.000 1.661) 2.437 15.623 ( 1.770 0.000 -1.768) 2.501 15.677 ( 4.538 0.000 5.678) 7.269 15.761 ( 4.319 0.000 -2.182) 4.839 16.176 ( -5.075 0.000 3.997) 6.460 16.268 ( -4.694 0.000 -4.775) 6.696 16.298 ( -0.795 0.000 0.488) 0.933 16.303 ( -0.868 0.000 -0.015) 0.868 16.451 ( 4.694 0.000 7.641) 8.967 16.647 ( 4.096 0.000 -10.437) 11.212 17.145 ( 0.231 0.000 0.419) 0.478 17.156 ( 0.566 0.000 -0.610) 0.832 17.895 ( -0.125 0.000 0.207) 0.242 17.900 ( -0.064 0.000 -0.255) 0.263 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -9.858 0.000 19.875) 22.186 2.278 ( 16.915 0.000 20.336) 26.452 2.380 ( -5.704 0.000 -7.853) 9.706 2.697 ( 12.588 0.000 -19.187) 22.947 2.933 ( -2.914 0.000 -0.263) 2.926 3.039 ( -9.099 0.000 -11.665) 14.794 3.442 ( -4.509 0.000 8.092) 9.264 3.609 ( -0.957 0.000 5.902) 5.979 3.620 ( -6.169 0.000 -8.448) 10.461 3.737 ( 2.409 0.000 -5.611) 6.106 4.357 ( 5.782 0.000 5.645) 8.080 4.442 ( -1.570 0.000 -3.027) 3.410 4.488 ( -9.826 0.000 1.980) 10.023 4.555 ( -11.204 0.000 -3.772) 11.822 4.975 ( -16.560 0.000 24.098) 29.239 4.981 ( -6.579 0.000 25.290) 26.131 5.531 ( -18.960 0.000 -27.989) 33.806 5.561 ( -8.766 0.000 -26.990) 28.378 6.028 ( -1.608 0.000 11.567) 11.678 6.295 ( -5.253 0.000 -12.947) 13.972 6.693 ( 8.172 0.000 11.984) 14.505 6.862 ( 3.049 0.000 -3.767) 4.846 7.057 ( -6.988 0.000 2.447) 7.404 7.191 ( 3.061 0.000 -8.093) 8.652 7.360 ( -1.170 0.000 3.419) 3.614 7.405 ( 0.303 0.000 -0.142) 0.335 7.758 ( -8.201 0.000 -0.957) 8.257 7.777 ( -8.863 0.000 -2.662) 9.254 8.368 ( 6.108 0.000 1.801) 6.368 8.380 ( 6.411 0.000 0.565) 6.436 9.146 ( 14.553 0.000 4.286) 15.171 9.229 ( 16.452 0.000 -3.657) 16.853 10.071 ( -0.046 0.000 12.303) 12.303 10.303 ( -0.330 0.000 -9.776) 9.781 11.347 ( 1.952 0.000 3.980) 4.433 11.421 ( 0.703 0.000 -3.064) 3.143 12.453 ( -9.812 0.000 12.652) 16.011 12.595 ( 4.724 0.000 7.869) 9.178 12.760 ( -14.777 0.000 -16.416) 22.087 12.805 ( 0.825 0.000 -11.785) 11.814 14.148 ( -1.149 0.000 12.762) 12.814 14.167 ( 13.762 0.000 8.578) 16.216 14.319 ( 10.728 0.000 -5.864) 12.226 14.381 ( -1.343 0.000 -8.271) 8.379 14.592 ( -2.663 0.000 4.687) 5.391 14.703 ( -2.212 0.000 -4.617) 5.120 15.642 ( 3.751 0.000 1.958) 4.232 15.679 ( 4.067 0.000 -1.613) 4.375 15.781 ( 5.513 0.000 6.280) 8.356 15.867 ( 5.866 0.000 -1.497) 6.054 16.106 ( -1.575 0.000 3.834) 4.145 16.185 ( -3.227 0.000 -3.515) 4.771 16.276 ( -1.535 0.000 0.601) 1.649 16.282 ( -1.335 0.000 -0.003) 1.335 16.527 ( 2.936 0.000 6.900) 7.499 16.707 ( 1.641 0.000 -9.844) 9.980 17.151 ( 0.300 0.000 0.786) 0.842 17.168 ( 0.543 0.000 -0.783) 0.952 17.892 ( -0.156 0.000 0.259) 0.303 17.898 ( -0.139 0.000 -0.308) 0.338 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 2.395 0.000 13.958) 14.162 2.309 ( -1.225 0.000 -12.628) 12.688 2.622 ( 18.321 0.000 16.362) 24.564 2.776 ( -12.530 0.000 -0.558) 12.543 2.847 ( -10.221 0.000 -6.003) 11.854 2.947 ( 12.786 0.000 -13.695) 18.736 3.341 ( -5.917 0.000 5.925) 8.374 3.487 ( -7.442 0.000 -7.211) 10.363 3.632 ( 2.926 0.000 7.220) 7.791 3.776 ( 0.688 0.000 -5.879) 5.919 4.283 ( -10.844 0.000 0.572) 10.859 4.322 ( -12.345 0.000 -2.803) 12.659 4.398 ( 0.538 0.000 3.227) 3.272 4.488 ( 5.007 0.000 -5.181) 7.205 4.763 ( -5.437 0.000 16.157) 17.047 4.858 ( -5.460 0.000 22.224) 22.885 5.189 ( -16.437 0.000 -23.536) 28.708 5.338 ( -14.010 0.000 -23.225) 27.123 6.047 ( 3.564 0.000 8.861) 9.551 6.231 ( -1.780 0.000 -8.687) 8.868 6.661 ( -5.860 0.000 4.212) 7.217 6.769 ( -9.319 0.000 -6.171) 11.178 7.141 ( 10.188 0.000 9.019) 13.607 7.254 ( -8.050 0.000 2.253) 8.359 7.296 ( 5.394 0.000 -5.537) 7.730 7.324 ( -8.766 0.000 -3.691) 9.511 7.678 ( 0.865 0.000 2.658) 2.795 7.718 ( 0.330 0.000 -0.871) 0.932 8.473 ( 4.651 0.000 1.687) 4.948 8.486 ( 4.428 0.000 0.412) 4.447 9.413 ( 13.030 0.000 6.322) 14.482 9.523 ( 13.682 0.000 -3.758) 14.188 10.046 ( -2.391 0.000 10.490) 10.760 10.254 ( -4.918 0.000 -8.813) 10.093 11.399 ( 3.150 0.000 2.569) 4.065 11.443 ( 1.451 0.000 -1.604) 2.163 12.312 ( -4.768 0.000 7.303) 8.722 12.510 ( -11.074 0.000 -11.583) 16.025 12.682 ( 4.138 0.000 2.923) 5.067 12.809 ( -0.479 0.000 -8.848) 8.861 14.167 ( 3.203 0.000 11.474) 11.913 14.379 ( 1.619 0.000 -8.524) 8.677 14.386 ( 8.805 0.000 6.058) 10.687 14.472 ( 5.314 0.000 -2.263) 5.775 14.516 ( -5.237 0.000 6.848) 8.620 14.645 ( -3.998 0.000 -5.165) 6.531 15.729 ( 5.152 0.000 2.637) 5.788 15.770 ( 4.960 0.000 -1.111) 5.083 15.856 ( 2.202 0.000 5.892) 6.290 15.934 ( 0.456 0.000 -0.716) 0.849 16.141 ( 4.825 0.000 2.544) 5.454 16.173 ( 2.218 0.000 -0.152) 2.223 16.241 ( -1.919 0.000 0.971) 2.151 16.252 ( -1.732 0.000 -0.106) 1.736 16.563 ( 1.077 0.000 4.913) 5.029 16.703 ( -1.906 0.000 -7.998) 8.222 17.157 ( 0.337 0.000 0.841) 0.906 17.174 ( 0.093 0.000 -0.736) 0.742 17.889 ( -0.079 0.000 0.220) 0.234 17.895 ( -0.191 0.000 -0.289) 0.346 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 10.510 0.000 2.038) 10.705 2.308 ( -2.177 0.000 -13.001) 13.182 2.566 ( -5.553 0.000 3.818) 6.739 2.643 ( -10.012 0.000 -3.765) 10.696 2.944 ( 14.688 0.000 11.828) 18.858 3.126 ( 0.730 0.000 0.972) 1.216 3.242 ( -0.102 0.000 -3.317) 3.318 3.350 ( -6.861 0.000 -7.255) 9.985 3.697 ( 3.477 0.000 4.042) 5.332 3.755 ( -2.442 0.000 -1.308) 2.770 4.118 ( -5.074 0.000 -0.990) 5.170 4.130 ( -6.364 0.000 -1.980) 6.665 4.446 ( 4.236 0.000 5.159) 6.675 4.526 ( -2.450 0.000 -0.234) 2.461 4.759 ( 4.557 0.000 2.736) 5.316 4.850 ( 6.463 0.000 4.065) 7.635 4.918 ( -11.642 0.000 -12.001) 16.720 5.062 ( -14.007 0.000 -13.749) 19.627 6.136 ( 4.809 0.000 3.359) 5.866 6.203 ( -2.000 0.000 -3.002) 3.607 6.582 ( -1.417 0.000 -0.409) 1.474 6.620 ( -5.358 0.000 -3.970) 6.669 7.133 ( -3.096 0.000 -0.217) 3.103 7.164 ( -6.079 0.000 -2.914) 6.742 7.300 ( 5.787 0.000 4.580) 7.380 7.353 ( 0.225 0.000 -0.442) 0.496 7.717 ( 1.919 0.000 2.431) 3.097 7.732 ( 0.336 0.000 1.009) 1.064 8.537 ( 1.919 0.000 1.253) 2.291 8.543 ( 1.366 0.000 0.730) 1.549 9.628 ( 8.916 0.000 7.144) 11.425 9.703 ( 3.066 0.000 1.601) 3.459 10.020 ( 1.797 0.000 2.394) 2.994 10.129 ( -7.521 0.000 -6.293) 9.806 11.451 ( 1.907 0.000 1.148) 2.226 11.465 ( 0.431 0.000 -0.124) 0.449 12.275 ( 0.915 0.000 1.131) 1.455 12.344 ( -6.260 0.000 -5.444) 8.296 12.747 ( 2.669 0.000 -1.594) 3.109 12.788 ( -1.668 0.000 -5.357) 5.610 14.263 ( 6.514 0.000 9.842) 11.803 14.396 ( -6.795 0.000 7.664) 10.242 14.446 ( 4.760 0.000 -6.551) 8.097 14.502 ( 3.543 0.000 3.186) 4.765 14.528 ( 0.711 0.000 0.633) 0.952 14.551 ( -5.612 0.000 -6.122) 8.305 15.820 ( 3.597 0.000 2.462) 4.359 15.840 ( 1.688 0.000 0.577) 1.784 15.884 ( 1.286 0.000 3.494) 3.723 15.913 ( -1.720 0.000 0.943) 1.961 16.212 ( -0.793 0.000 0.743) 1.087 16.220 ( -1.424 0.000 0.031) 1.425 16.227 ( 3.013 0.000 2.967) 4.229 16.234 ( 2.458 0.000 2.662) 3.623 16.586 ( 1.963 0.000 0.431) 2.010 16.645 ( -3.709 0.000 -4.734) 6.014 17.164 ( 0.425 0.000 0.399) 0.583 17.172 ( -0.318 0.000 -0.279) 0.423 17.889 ( 0.059 0.000 0.057) 0.082 17.891 ( -0.170 0.000 -0.152) 0.228 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 0.000 17.510 19.825) 26.450 2.510 ( 0.000 5.620 0.816) 5.679 2.563 ( 0.000 10.348 -6.114) 12.019 2.764 ( 0.000 4.357 -10.645) 11.502 2.802 ( 0.000 5.441 13.295) 14.365 3.160 ( 0.000 1.975 -16.406) 16.524 3.561 ( 0.000 1.603 7.906) 8.067 3.601 ( 0.000 -8.190 0.844) 8.234 3.605 ( 0.000 -8.471 2.798) 8.921 3.772 ( 0.000 0.881 -8.861) 8.905 4.068 ( 0.000 -8.941 11.663) 14.695 4.308 ( 0.000 -10.708 -11.257) 15.536 4.846 ( 0.000 11.377 16.227) 19.818 5.072 ( 0.000 21.397 -5.858) 22.184 5.234 ( 0.000 9.688 15.751) 18.491 5.695 ( 0.000 -4.155 17.288) 17.780 5.748 ( 0.000 2.817 -24.193) 24.357 5.895 ( 0.000 1.324 13.717) 13.780 6.098 ( 0.000 -0.927 16.898) 16.924 6.286 ( 0.000 -4.604 -14.325) 15.046 6.423 ( 0.000 -1.286 -15.571) 15.624 6.469 ( 0.000 -0.910 -16.532) 16.558 7.156 ( 0.000 -10.885 3.399) 11.403 7.206 ( 0.000 -9.336 -2.203) 9.592 7.294 ( 0.000 -3.091 0.273) 3.103 7.335 ( 0.000 -3.020 -2.622) 3.999 7.898 ( 0.000 -7.093 1.951) 7.356 7.977 ( 0.000 -7.355 -5.052) 8.922 8.390 ( 0.000 12.437 0.886) 12.469 8.407 ( 0.000 11.526 -1.056) 11.575 8.819 ( 0.000 6.263 2.711) 6.825 8.861 ( 0.000 6.121 -1.613) 6.330 10.079 ( 0.000 3.389 10.350) 10.891 10.274 ( 0.000 1.278 -8.404) 8.501 11.299 ( 0.000 -2.320 4.164) 4.767 11.380 ( 0.000 -3.448 -3.682) 5.044 12.553 ( 0.000 5.895 13.872) 15.072 12.796 ( 0.000 1.361 18.498) 18.548 12.853 ( 0.000 6.547 -12.748) 14.331 13.237 ( 0.000 1.396 -21.219) 21.265 13.769 ( 0.000 1.560 6.873) 7.048 13.917 ( 0.000 -0.204 -6.784) 6.787 14.228 ( 0.000 -1.152 10.528) 10.591 14.374 ( 0.000 -2.790 -1.994) 3.430 14.662 ( 0.000 3.114 0.744) 3.202 14.755 ( 0.000 1.274 -6.444) 6.569 15.511 ( 0.000 -8.334 3.107) 8.894 15.526 ( 0.000 -6.320 1.110) 6.417 15.649 ( 0.000 1.175 -0.073) 1.178 15.672 ( 0.000 -2.156 -1.231) 2.483 16.239 ( 0.000 -1.338 1.875) 2.304 16.278 ( 0.000 -2.734 0.785) 2.845 16.309 ( 0.000 -0.412 1.657) 1.707 16.319 ( 0.000 0.529 -0.133) 0.545 16.371 ( 0.000 -1.133 1.392) 1.795 16.502 ( 0.000 -6.805 -6.981) 9.749 17.207 ( 0.000 5.577 0.973) 5.661 17.245 ( 0.000 7.599 -3.057) 8.191 17.858 ( 0.000 -3.935 0.123) 3.937 17.865 ( 0.000 -2.935 -0.605) 2.997 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 7.808 15.365 19.106) 25.731 2.402 ( -14.245 6.070 15.759) 22.093 2.514 ( -5.360 2.075 -0.838) 5.808 2.634 ( 3.193 10.023 -17.978) 20.829 2.963 ( 4.380 4.442 1.001) 6.318 3.162 ( -1.063 2.461 -15.790) 16.016 3.530 ( -2.839 0.264 6.560) 7.153 3.552 ( -2.944 -8.924 2.644) 9.762 3.621 ( 0.691 -6.057 -0.233) 6.101 3.729 ( -4.281 0.334 -7.309) 8.477 4.083 ( 1.137 -10.818 8.911) 14.062 4.279 ( -3.143 -11.282 -9.762) 15.246 4.861 ( 1.177 16.028 14.205) 21.449 5.044 ( -3.220 22.753 -5.445) 23.616 5.145 ( -8.370 5.950 19.384) 21.936 5.371 ( -20.832 0.380 23.874) 31.687 5.699 ( -4.459 2.104 -27.193) 27.636 5.874 ( -14.986 -0.457 -20.783) 25.627 6.095 ( -0.224 1.422 13.196) 13.275 6.344 ( 13.910 -4.475 11.405) 18.536 6.424 ( -2.491 0.401 -12.196) 12.454 6.645 ( 12.820 -4.381 -11.308) 17.647 7.148 ( -2.455 -8.375 -0.091) 8.728 7.171 ( -4.076 -6.935 -2.421) 8.401 7.270 ( -0.483 -3.916 2.790) 4.832 7.331 ( 0.446 -3.998 -2.339) 4.653 7.818 ( -7.512 -7.100 1.365) 10.427 7.889 ( -8.635 -6.722 -5.099) 12.073 8.424 ( 2.792 11.729 0.828) 12.085 8.428 ( 3.777 12.137 0.551) 12.723 8.940 ( 10.681 4.517 2.681) 11.903 8.987 ( 12.003 4.487 -2.125) 12.989 10.096 ( 1.540 3.766 10.740) 11.485 10.301 ( 2.385 1.731 -8.896) 9.372 11.292 ( -0.540 -3.103 4.053) 5.133 11.371 ( -0.821 -4.068 -3.547) 5.459 12.580 ( 2.727 5.507 12.408) 13.846 12.686 ( -9.585 2.358 17.188) 19.821 12.859 ( 0.579 6.452 -13.480) 14.956 13.080 ( -13.407 2.641 -19.667) 23.948 13.894 ( 11.051 -0.092 7.961) 13.620 14.024 ( 6.664 -3.517 -2.381) 7.902 14.227 ( 2.086 0.871 6.348) 6.739 14.369 ( -0.722 -3.223 -4.390) 5.494 14.665 ( 0.332 4.068 1.850) 4.482 14.751 ( -0.413 1.977 -4.777) 5.186 15.538 ( 2.455 -6.823 2.641) 7.717 15.557 ( 3.209 -6.537 0.976) 7.347 15.676 ( 3.111 0.692 1.229) 3.416 15.714 ( 4.334 -2.345 -1.329) 5.104 16.159 ( -5.191 -1.459 3.737) 6.561 16.238 ( -4.586 -2.599 -3.297) 6.217 16.302 ( -0.684 0.180 0.402) 0.814 16.308 ( -1.008 0.363 -0.419) 1.151 16.422 ( 4.454 -2.217 5.647) 7.526 16.567 ( 4.613 -6.006 -7.358) 10.559 17.209 ( 0.235 5.521 1.001) 5.616 17.246 ( 0.054 7.288 -2.808) 7.810 17.857 ( -0.109 -3.906 0.099) 3.908 17.863 ( -0.160 -3.031 -0.554) 3.085 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -10.487 4.516 18.119) 21.417 2.390 ( -3.503 2.382 -1.724) 4.574 2.416 ( 10.328 9.382 12.931) 19.023 2.769 ( 8.943 5.703 -15.553) 18.826 2.963 ( -3.937 2.443 -1.156) 4.776 3.049 ( -10.536 0.810 -9.633) 14.299 3.449 ( -5.262 -1.848 5.176) 7.609 3.544 ( 0.791 -4.457 -0.443) 4.549 3.598 ( -4.685 -2.655 -0.604) 5.419 3.683 ( 2.849 -2.438 -5.219) 6.427 4.095 ( -0.031 -12.933 2.725) 13.217 4.189 ( -5.977 -11.496 -5.870) 14.224 4.805 ( -9.973 16.733 7.796) 20.981 4.921 ( -10.663 18.406 -0.735) 21.284 4.985 ( -10.238 3.375 18.710) 21.593 5.068 ( -4.166 9.930 21.846) 24.356 5.520 ( -17.411 0.121 -26.072) 31.351 5.612 ( -6.540 4.259 -24.536) 25.748 6.087 ( -0.034 5.152 10.234) 11.457 6.325 ( -3.840 2.637 -11.322) 12.243 6.647 ( 9.923 -4.350 12.461) 16.513 6.815 ( 5.024 -4.626 -2.748) 7.361 7.031 ( -7.498 -2.670 0.033) 7.959 7.131 ( 2.627 -5.504 -7.235) 9.463 7.293 ( -0.001 -6.123 3.204) 6.911 7.336 ( -0.930 -5.478 -0.776) 5.610 7.660 ( -7.519 -7.582 0.342) 10.684 7.700 ( -9.068 -5.832 -3.395) 11.304 8.506 ( 5.233 11.084 1.782) 12.386 8.522 ( 5.487 11.392 0.239) 12.647 9.174 ( 13.099 2.003 4.361) 13.951 9.254 ( 14.649 1.508 -3.168) 15.063 10.122 ( 0.751 4.913 10.899) 11.978 10.337 ( 0.572 3.098 -9.443) 9.955 11.288 ( 0.399 -5.288 3.496) 6.351 11.356 ( -0.529 -5.719 -3.003) 6.481 12.503 ( -8.379 4.495 12.890) 16.017 12.649 ( 4.238 4.629 8.531) 10.591 12.812 ( -13.386 4.708 -16.174) 21.517 12.870 ( 0.242 5.599 -12.100) 13.335 14.054 ( 1.749 -5.382 9.079) 10.699 14.121 ( 7.461 -4.066 3.889) 9.345 14.336 ( 5.894 -1.502 -0.981) 6.160 14.363 ( 1.616 -1.574 -4.908) 5.402 14.669 ( -0.006 6.652 3.085) 7.333 14.742 ( -0.409 4.173 -3.108) 5.219 15.601 ( 4.139 -5.310 2.872) 7.320 15.637 ( 5.023 -5.520 -0.381) 7.473 15.761 ( 4.967 -0.322 3.865) 6.302 15.820 ( 5.755 -2.611 -0.880) 6.381 16.083 ( -2.044 -1.855 3.367) 4.354 16.152 ( -3.504 -2.762 -2.876) 5.308 16.284 ( -1.095 0.690 0.516) 1.393 16.290 ( -0.956 0.799 -0.066) 1.248 16.495 ( 2.902 -2.598 5.560) 6.788 16.636 ( 2.221 -5.501 -7.410) 9.492 17.214 ( 0.196 5.396 1.022) 5.495 17.246 ( -0.120 6.532 -2.197) 6.892 17.854 ( -0.216 -3.832 0.059) 3.839 17.859 ( -0.261 -3.329 -0.445) 3.369 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 1.533 3.283 13.019) 13.513 2.315 ( -1.425 0.345 -10.537) 10.638 2.664 ( 9.022 2.541 12.803) 15.867 2.794 ( -6.678 2.078 -0.099) 6.995 2.830 ( -11.135 -1.509 -4.675) 12.171 2.971 ( 8.742 1.763 -11.686) 14.700 3.341 ( -5.915 -1.889 3.784) 7.272 3.440 ( -7.493 -4.938 -4.934) 10.240 3.636 ( 4.894 1.279 5.846) 7.731 3.751 ( 2.754 -1.359 -4.333) 5.311 4.071 ( -5.845 -9.853 -1.696) 11.582 4.078 ( -2.075 -11.051 -2.516) 11.522 4.599 ( -8.097 6.491 6.736) 12.372 4.697 ( -9.950 5.347 10.279) 15.273 4.766 ( -11.505 9.677 -1.930) 15.158 5.045 ( -7.189 6.813 -4.835) 11.022 5.247 ( -5.694 13.082 -3.565) 14.706 5.501 ( -5.778 13.721 -17.165) 22.722 6.116 ( 3.277 6.126 7.854) 10.486 6.275 ( -1.546 3.948 -7.302) 8.444 6.661 ( -3.636 -0.219 5.100) 6.268 6.787 ( -7.611 1.244 -6.989) 10.408 7.069 ( 9.106 -6.533 8.613) 14.135 7.191 ( -6.772 -5.730 -0.571) 8.889 7.214 ( -1.746 -5.258 -1.778) 5.819 7.279 ( -1.768 -5.426 -4.235) 7.107 7.582 ( -0.157 -8.343 2.213) 8.633 7.615 ( -0.797 -8.881 -0.646) 8.940 8.602 ( 4.423 10.848 1.736) 11.843 8.617 ( 4.111 11.041 0.297) 11.785 9.415 ( 11.642 -0.430 5.986) 13.098 9.511 ( 11.504 -1.805 -2.651) 11.943 10.119 ( -0.805 7.009 8.719) 11.216 10.306 ( -3.798 5.045 -8.556) 10.635 11.310 ( 1.645 -7.939 2.151) 8.388 11.353 ( 0.107 -7.833 -1.961) 8.076 12.390 ( -3.355 6.730 7.701) 10.763 12.589 ( -9.760 6.797 -11.055) 16.238 12.729 ( 3.875 3.879 3.473) 6.490 12.865 ( -0.918 4.685 -9.060) 10.241 14.087 ( 2.890 -5.448 9.168) 11.049 14.214 ( 2.462 -7.892 -1.122) 8.343 14.385 ( 1.221 -3.807 1.172) 4.167 14.432 ( 2.060 -3.234 -2.159) 4.400 14.675 ( 0.959 10.114 3.403) 10.714 14.736 ( -0.233 7.780 -2.240) 8.099 15.694 ( 5.324 -5.193 3.579) 8.254 15.740 ( 5.292 -5.123 -0.695) 7.399 15.829 ( 1.885 -0.627 4.507) 4.926 15.884 ( 0.458 -2.121 -0.053) 2.171 16.105 ( 3.687 -3.074 2.154) 5.262 16.129 ( 1.207 -2.983 -0.298) 3.231 16.264 ( -0.730 1.544 0.820) 1.894 16.273 ( -0.749 1.632 0.000) 1.796 16.532 ( 1.119 -2.650 4.137) 5.038 16.646 ( -1.145 -4.672 -6.330) 7.950 17.217 ( 0.181 5.230 0.846) 5.301 17.241 ( -0.409 5.743 -1.444) 5.936 17.850 ( -0.201 -3.829 0.028) 3.835 17.854 ( -0.279 -3.676 -0.338) 3.702 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 9.913 1.926 2.283) 10.353 2.319 ( -1.302 0.965 -11.765) 11.876 2.539 ( -6.111 -2.105 4.050) 7.628 2.617 ( -10.231 -2.244 -3.528) 11.052 2.962 ( 11.827 0.862 8.865) 14.805 3.100 ( 1.117 -2.229 -0.609) 2.566 3.243 ( -1.845 -1.859 -1.809) 3.183 3.311 ( -5.882 -4.373 -5.056) 8.904 3.725 ( 3.808 2.578 3.975) 6.078 3.769 ( -0.804 1.254 0.035) 1.490 3.988 ( -1.946 -6.775 -0.041) 7.049 4.013 ( -3.831 -6.537 -1.920) 7.816 4.528 ( -0.583 2.146 0.413) 2.262 4.582 ( -6.348 6.260 -4.946) 10.195 4.627 ( 3.677 -2.370 1.726) 4.703 4.805 ( -13.069 -3.151 -13.399) 18.980 5.281 ( 4.837 25.800 4.405) 26.617 5.387 ( -6.049 22.977 -5.867) 24.474 6.194 ( 4.065 5.289 2.947) 7.293 6.249 ( -1.714 4.288 -2.396) 5.203 6.619 ( -0.017 3.128 0.159) 3.132 6.662 ( -4.546 3.623 -3.884) 6.991 7.051 ( -3.947 -6.483 -0.565) 7.611 7.071 ( -5.692 -7.553 -2.284) 9.730 7.254 ( 5.939 -4.580 4.357) 8.674 7.310 ( 0.216 -4.247 -0.926) 4.352 7.603 ( 1.185 -10.368 2.263) 10.678 7.614 ( -0.026 -10.843 1.207) 10.910 8.664 ( 1.888 10.883 1.279) 11.119 8.670 ( 1.277 10.949 0.713) 11.046 9.600 ( 7.182 -3.032 6.057) 9.872 9.654 ( 2.455 -4.576 1.806) 5.498 10.121 ( 2.167 9.127 1.723) 9.538 10.207 ( -5.845 7.431 -5.517) 10.946 11.340 ( 1.268 -9.605 0.568) 9.705 11.354 ( -0.211 -9.464 -0.745) 9.496 12.374 ( 1.538 8.284 1.760) 8.608 12.443 ( -5.616 8.299 -4.731) 11.081 12.792 ( 2.735 3.696 -1.271) 4.771 12.837 ( -1.955 4.023 -5.364) 6.985 14.163 ( 4.566 -6.792 7.248) 10.932 14.229 ( -1.384 -8.821 2.559) 9.289 14.394 ( 0.909 -3.722 -0.597) 3.877 14.429 ( -1.848 -4.701 -2.453) 5.615 14.703 ( 1.635 11.088 1.992) 11.384 14.727 ( -0.846 10.192 -0.311) 10.232 15.782 ( 3.284 -7.413 3.371) 8.780 15.808 ( 1.006 -7.969 1.110) 8.108 15.854 ( 1.208 1.032 2.538) 2.994 15.872 ( -0.714 1.179 0.925) 1.660 16.154 ( 1.102 -3.666 2.013) 4.325 16.162 ( 0.627 -3.234 1.266) 3.529 16.268 ( 0.962 2.086 1.339) 2.659 16.273 ( 0.595 2.164 0.932) 2.430 16.553 ( 1.662 -2.856 0.519) 3.345 16.602 ( -3.019 -3.638 -3.790) 6.060 17.222 ( 0.393 5.111 0.272) 5.134 17.231 ( -0.543 5.243 -0.590) 5.304 17.847 ( -0.022 -3.898 -0.061) 3.899 17.849 ( -0.183 -3.875 -0.208) 3.884 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 0.000 13.710 13.541) 19.269 2.628 ( 0.000 4.643 7.105) 8.488 2.822 ( 0.000 12.604 -1.313) 12.672 2.891 ( 0.000 7.081 -7.966) 10.659 2.947 ( 0.000 6.478 4.863) 8.100 3.178 ( 0.000 -1.808 -7.978) 8.180 3.390 ( 0.000 -8.665 -0.085) 8.665 3.415 ( 0.000 -7.927 -3.250) 8.568 3.623 ( 0.000 2.765 5.588) 6.234 3.762 ( 0.000 -2.014 -6.682) 6.979 3.883 ( 0.000 -6.105 5.061) 7.930 4.071 ( 0.000 -10.790 -11.001) 15.410 5.095 ( 0.000 11.322 29.122) 31.246 5.544 ( 0.000 -2.736 12.913) 13.200 5.589 ( 0.000 21.685 6.248) 22.567 5.598 ( 0.000 17.523 1.115) 17.559 5.853 ( 0.000 7.061 -23.549) 24.585 5.927 ( 0.000 1.500 9.011) 9.135 6.087 ( 0.000 1.149 17.666) 17.704 6.159 ( 0.000 -6.585 -12.802) 14.397 6.385 ( 0.000 -2.180 -13.712) 13.884 6.454 ( 0.000 -0.067 -15.242) 15.242 6.839 ( 0.000 -17.889 2.853) 18.115 6.915 ( 0.000 -18.199 -4.236) 18.686 7.216 ( 0.000 -3.240 -0.694) 3.313 7.242 ( 0.000 -4.503 -2.825) 5.316 7.794 ( 0.000 -2.221 1.243) 2.545 7.852 ( 0.000 -4.250 -3.980) 5.822 8.640 ( 0.000 9.335 0.560) 9.351 8.645 ( 0.000 10.071 0.178) 10.072 8.941 ( 0.000 4.103 2.802) 4.969 8.977 ( 0.000 3.439 -0.819) 3.535 10.180 ( 0.000 5.573 6.222) 8.353 10.302 ( 0.000 0.847 -5.409) 5.475 11.240 ( 0.000 -2.550 2.024) 3.256 11.288 ( 0.000 -4.447 -2.647) 5.175 12.705 ( 0.000 7.113 16.055) 17.560 12.825 ( 0.000 0.901 19.963) 19.984 13.047 ( 0.000 10.470 -15.641) 18.822 13.270 ( 0.000 1.133 -21.677) 21.707 13.814 ( 0.000 2.467 5.682) 6.194 13.903 ( 0.000 -1.194 -2.262) 2.558 14.191 ( 0.000 -1.844 4.920) 5.254 14.287 ( 0.000 -5.002 -4.884) 6.991 14.774 ( 0.000 7.533 2.090) 7.818 14.822 ( 0.000 5.532 -2.480) 6.063 15.271 ( 0.000 -13.233 2.959) 13.560 15.289 ( 0.000 -13.828 1.273) 13.887 15.668 ( 0.000 0.929 -0.342) 0.990 15.676 ( 0.000 1.098 -1.304) 1.704 16.197 ( 0.000 -2.413 1.835) 3.032 16.204 ( 0.000 -3.387 2.431) 4.169 16.303 ( 0.000 -0.081 0.555) 0.561 16.328 ( 0.000 0.097 -0.946) 0.951 16.356 ( 0.000 -0.455 -1.038) 1.134 16.373 ( 0.000 -3.983 -2.020) 4.466 17.363 ( 0.000 8.523 1.822) 8.716 17.430 ( 0.000 8.948 -4.932) 10.217 17.737 ( 0.000 -7.155 0.919) 7.214 17.770 ( 0.000 -5.785 -2.460) 6.286 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -5.668 7.426 12.473) 15.584 2.563 ( -6.738 2.283 4.024) 8.173 2.630 ( -7.783 14.637 11.225) 20.020 2.866 ( 0.976 10.048 -13.518) 16.872 3.055 ( 0.955 2.457 3.879) 4.690 3.221 ( 0.603 2.593 -11.159) 11.473 3.330 ( -2.934 -10.275 2.174) 10.905 3.399 ( -0.942 -7.724 -3.852) 8.683 3.629 ( 0.096 2.931 4.179) 5.105 3.715 ( -4.343 -1.230 -4.123) 6.113 3.873 ( -0.658 -7.332 2.791) 7.873 4.041 ( -2.865 -10.475 -10.793) 15.310 5.132 ( 1.440 8.024 28.447) 29.592 5.338 ( -17.064 -0.455 21.892) 27.760 5.470 ( -8.634 20.736 8.288) 23.942 5.612 ( -0.479 27.523 -4.790) 27.941 5.757 ( -7.596 3.008 -26.590) 27.817 5.865 ( -12.446 -0.205 -20.045) 23.595 6.138 ( 6.444 1.260 13.567) 15.072 6.222 ( 10.193 -5.105 11.722) 16.351 6.437 ( 0.119 0.098 -10.910) 10.911 6.523 ( 8.400 -5.318 -10.484) 14.448 6.877 ( 3.075 -16.050 0.790) 16.361 6.922 ( 0.256 -16.246 -3.174) 16.555 7.194 ( -2.234 -2.754 -0.402) 3.568 7.229 ( -0.979 -4.618 -3.049) 5.620 7.710 ( -8.113 -2.369 1.353) 8.560 7.769 ( -8.111 -4.248 -4.048) 10.011 8.672 ( 3.523 10.288 1.393) 10.963 8.687 ( 4.142 10.586 0.078) 11.368 9.024 ( 7.616 2.480 2.835) 8.496 9.064 ( 8.361 1.625 -1.086) 8.587 10.212 ( 3.039 6.485 6.482) 9.660 10.343 ( 3.905 1.567 -5.998) 7.327 11.212 ( -2.769 -3.565 2.095) 4.977 11.262 ( -2.554 -5.314 -2.750) 6.505 12.715 ( 0.978 5.828 14.682) 15.827 12.751 ( -6.378 3.109 17.788) 19.151 13.033 ( -1.227 8.733 -15.182) 17.558 13.150 ( -10.429 3.263 -19.799) 22.615 13.898 ( 6.882 0.773 6.039) 9.188 13.968 ( 4.640 -1.511 -0.020) 4.880 14.197 ( 1.385 -3.098 2.712) 4.344 14.275 ( -0.757 -5.269 -5.278) 7.497 14.799 ( 2.398 8.420 2.324) 9.058 14.841 ( 1.884 6.780 -1.513) 7.198 15.311 ( 3.780 -13.031 2.956) 13.887 15.327 ( 3.776 -13.535 1.488) 14.131 15.699 ( 3.241 1.255 -0.052) 3.476 15.710 ( 3.775 0.937 -1.183) 4.066 16.123 ( -4.953 -1.563 2.875) 5.936 16.167 ( -4.424 -3.539 -0.863) 5.731 16.305 ( 0.056 0.201 0.533) 0.572 16.314 ( -0.459 0.085 -0.350) 0.584 16.383 ( 3.197 -1.004 2.078) 3.943 16.447 ( 4.389 -4.388 -3.526) 7.138 17.364 ( 0.088 8.454 1.720) 8.628 17.425 ( -0.444 8.820 -4.475) 9.900 17.736 ( -0.104 -7.159 0.834) 7.209 17.767 ( -0.380 -5.893 -2.265) 6.324 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -11.065 6.109 13.027) 18.151 2.409 ( -7.800 -0.073 -0.774) 7.838 2.653 ( 4.809 10.538 11.249) 16.146 2.891 ( 0.709 4.175 -10.055) 10.911 2.991 ( -7.301 -0.454 1.625) 7.494 3.085 ( -9.919 3.107 -6.226) 12.116 3.301 ( -2.976 -8.739 2.051) 9.457 3.402 ( -2.385 -7.945 -6.544) 10.566 3.614 ( 1.285 2.695 3.704) 4.758 3.690 ( 2.486 3.040 -3.922) 5.550 3.867 ( 0.303 -8.304 0.381) 8.319 3.980 ( -3.113 -8.100 -8.720) 12.302 4.994 ( -17.085 2.741 18.571) 25.383 4.996 ( -15.220 1.230 20.601) 25.643 5.347 ( -13.232 15.168 -8.591) 21.886 5.435 ( -13.568 10.917 -13.233) 21.872 5.608 ( -1.914 15.061 -4.614) 15.868 5.806 ( 5.940 17.198 -13.756) 22.810 6.230 ( 3.240 7.534 7.562) 11.156 6.387 ( 1.523 0.485 -4.479) 4.756 6.510 ( 10.742 -6.990 10.601) 16.632 6.667 ( 5.966 -8.078 -1.543) 10.161 6.905 ( -2.342 -10.226 -3.186) 10.964 6.931 ( 2.909 -14.190 -5.779) 15.595 7.149 ( -1.910 -4.554 2.297) 5.447 7.207 ( -2.084 -5.870 -2.910) 6.875 7.523 ( -10.330 -3.501 1.631) 11.029 7.580 ( -10.428 -4.620 -3.698) 11.990 8.766 ( 5.840 11.752 2.111) 13.291 8.789 ( 6.027 11.858 0.020) 13.302 9.194 ( 9.480 -0.750 3.820) 10.248 9.251 ( 10.199 -2.324 -1.478) 10.564 10.279 ( 3.586 9.081 6.563) 11.764 10.425 ( 3.859 4.254 -7.109) 9.139 11.147 ( -3.666 -6.758 2.256) 8.012 11.202 ( -3.487 -7.828 -3.018) 9.085 12.629 ( -5.226 6.563 13.469) 15.869 12.748 ( 2.221 3.217 10.864) 11.546 12.942 ( -10.369 6.619 -16.106) 20.266 13.004 ( -1.862 5.466 -13.247) 14.451 13.981 ( 1.612 -0.494 6.596) 6.808 14.056 ( 4.071 -0.876 0.539) 4.199 14.233 ( 1.625 -6.765 0.924) 7.019 14.289 ( 2.185 -5.877 -4.066) 7.473 14.852 ( 2.977 10.204 2.987) 11.041 14.890 ( 2.964 9.272 -0.502) 9.747 15.396 ( 4.867 -12.590 3.449) 13.931 15.420 ( 5.477 -13.259 1.300) 14.405 15.785 ( 5.128 2.010 1.628) 5.743 15.813 ( 6.318 1.143 -0.949) 6.490 16.039 ( -3.257 -1.905 2.481) 4.516 16.082 ( -3.584 -3.395 -1.428) 5.139 16.303 ( -0.221 0.981 0.724) 1.239 16.312 ( 0.015 1.062 -0.092) 1.066 16.439 ( 2.345 -2.047 2.857) 4.225 16.515 ( 2.414 -5.150 -3.989) 6.947 17.365 ( 0.005 8.309 1.421) 8.429 17.413 ( -0.818 8.527 -3.377) 9.208 17.733 ( -0.232 -7.191 0.610) 7.221 17.756 ( -0.677 -6.196 -1.760) 6.476 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -0.442 5.181 9.728) 11.030 2.310 ( -1.850 -1.211 -4.379) 4.906 2.694 ( -5.762 0.762 3.872) 6.983 2.781 ( -11.859 -2.757 -4.122) 12.854 2.869 ( 0.519 4.214 3.480) 5.490 3.003 ( 1.402 0.879 -7.551) 7.731 3.225 ( -4.691 -6.892 2.999) 8.860 3.291 ( -7.024 -7.503 -3.001) 10.708 3.707 ( 6.343 4.126 1.614) 7.737 3.758 ( 3.546 2.505 -2.520) 5.020 3.890 ( 1.724 -6.489 -1.661) 6.916 3.935 ( -1.301 -4.274 -5.223) 6.873 4.697 ( -12.412 2.648 11.206) 16.930 4.719 ( -11.945 0.515 12.788) 17.507 5.010 ( -18.271 7.965 -15.205) 25.069 5.098 ( -18.816 1.152 -19.984) 27.472 5.735 ( 9.118 27.467 9.639) 30.504 5.920 ( 4.605 24.530 -7.970) 26.200 6.283 ( 3.011 8.446 5.415) 10.475 6.384 ( -0.478 5.517 -4.092) 6.885 6.637 ( 1.819 -2.335 6.840) 7.453 6.783 ( 1.010 -3.755 -6.676) 7.726 6.859 ( 4.259 -12.034 7.534) 14.823 7.017 ( 2.739 -13.898 -6.027) 15.394 7.092 ( -4.417 -5.530 0.841) 7.128 7.124 ( -4.751 -5.299 -1.974) 7.385 7.367 ( -5.108 -9.022 2.606) 10.690 7.413 ( -6.712 -8.146 -1.917) 10.728 8.876 ( 5.162 13.315 2.148) 14.441 8.896 ( 4.773 13.533 0.252) 14.352 9.364 ( 7.907 -4.680 4.573) 10.263 9.422 ( 7.151 -6.529 -0.610) 9.702 10.338 ( 2.589 12.563 4.865) 13.719 10.466 ( 0.166 9.112 -6.957) 11.465 11.090 ( -1.935 -11.428 1.792) 11.728 11.140 ( -2.849 -11.243 -2.935) 11.964 12.569 ( -0.959 9.233 8.321) 12.466 12.765 ( -6.067 7.987 -7.314) 12.414 12.805 ( 1.600 2.516 2.332) 3.785 12.962 ( -2.448 2.880 -9.661) 10.374 14.011 ( 2.122 -0.292 6.090) 6.456 14.098 ( 0.875 -1.778 -1.284) 2.361 14.262 ( 1.165 -7.412 1.794) 7.715 14.317 ( 0.258 -7.171 -2.649) 7.649 14.908 ( 2.756 11.651 3.230) 12.400 14.940 ( 2.049 10.782 0.199) 10.977 15.486 ( 4.098 -12.789 3.867) 13.975 15.515 ( 3.885 -13.726 1.205) 14.316 15.861 ( 2.655 2.921 3.263) 5.121 15.905 ( 2.392 2.923 -0.745) 3.850 16.026 ( 2.041 -3.982 2.585) 5.167 16.062 ( 1.513 -3.385 -0.927) 3.821 16.301 ( 0.299 1.895 0.966) 2.148 16.314 ( 0.372 2.079 -0.231) 2.124 16.468 ( 0.761 -2.746 2.553) 3.825 16.535 ( -0.290 -5.093 -3.578) 6.231 17.364 ( 0.001 8.165 0.905) 8.215 17.396 ( -0.975 8.227 -2.124) 8.553 17.728 ( -0.226 -7.236 0.300) 7.246 17.743 ( -0.724 -6.609 -1.138) 6.745 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 8.477 3.393 2.279) 9.411 2.338 ( 2.818 0.294 -7.391) 7.915 2.493 ( -9.465 -1.656 2.309) 9.882 2.557 ( -10.806 -3.101 -3.380) 11.740 2.968 ( 6.691 0.062 4.214) 7.908 3.047 ( 1.109 -2.328 -2.250) 3.422 3.136 ( -3.352 -6.275 0.850) 7.165 3.172 ( -4.986 -6.917 -2.009) 8.760 3.803 ( 2.822 4.111 1.725) 5.276 3.809 ( 1.739 2.326 0.814) 3.016 3.908 ( 0.623 -2.137 -1.058) 2.464 3.926 ( -0.750 -1.903 -2.273) 3.058 4.570 ( 0.229 2.015 0.007) 2.028 4.610 ( 1.202 0.133 0.278) 1.241 4.708 ( -11.990 4.323 -9.502) 15.898 4.777 ( -13.776 -0.200 -12.214) 18.412 5.883 ( 5.911 29.178 5.267) 30.233 5.952 ( -1.184 28.280 -1.429) 28.341 6.346 ( 2.846 8.041 1.795) 8.716 6.377 ( -0.577 7.100 -1.219) 7.227 6.684 ( 4.213 1.536 2.117) 4.959 6.748 ( -1.041 2.990 -3.489) 4.711 6.880 ( -5.056 -9.634 0.058) 10.880 6.910 ( -7.505 -5.718 -2.619) 9.792 7.105 ( 7.229 -8.890 4.033) 12.147 7.172 ( 3.037 -8.722 -2.090) 9.469 7.297 ( -3.232 -16.583 2.412) 17.067 7.313 ( -3.667 -14.484 0.708) 14.958 8.949 ( 2.311 14.533 1.635) 14.806 8.958 ( 1.476 14.674 0.865) 14.774 9.482 ( 4.066 -8.116 3.960) 9.904 9.507 ( 1.556 -9.064 1.729) 9.358 10.385 ( 2.605 14.737 0.691) 14.981 10.438 ( -2.609 13.468 -4.064) 14.308 11.076 ( 0.308 -14.340 0.055) 14.344 11.096 ( -1.722 -13.936 -1.856) 14.165 12.586 ( 2.472 10.613 2.475) 11.174 12.655 ( -4.702 10.576 -3.930) 12.223 12.857 ( 2.898 0.898 0.010) 3.034 12.912 ( -2.796 1.478 -5.038) 5.948 14.061 ( 2.725 -1.392 4.258) 5.243 14.099 ( -0.978 -2.257 1.181) 2.728 14.278 ( 0.929 -6.918 0.052) 6.980 14.303 ( -1.387 -7.095 -1.738) 7.436 14.950 ( 1.518 12.128 2.416) 12.459 14.963 ( 0.280 11.789 1.226) 11.856 15.540 ( 1.639 -13.803 3.176) 14.258 15.554 ( 0.318 -14.230 1.957) 14.368 15.906 ( 2.175 3.233 2.528) 4.644 15.927 ( 0.249 3.337 0.626) 3.405 16.071 ( 1.790 -3.938 2.451) 4.972 16.088 ( 0.215 -3.600 0.780) 3.690 16.319 ( 1.255 2.713 0.923) 3.128 16.328 ( 0.578 2.934 0.118) 2.992 16.479 ( 0.835 -3.747 0.667) 3.896 16.509 ( -2.018 -4.561 -2.109) 5.415 17.367 ( 0.343 8.053 0.108) 8.061 17.378 ( -0.793 8.052 -0.942) 8.145 17.726 ( 0.051 -7.198 -0.084) 7.198 17.731 ( -0.462 -6.985 -0.562) 7.023 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 0.000 -2.448 10.505) 10.786 2.665 ( 0.000 2.448 10.505) 10.786 3.002 ( 0.000 -0.485 -9.914) 9.926 3.002 ( 0.000 0.485 -9.914) 9.926 3.073 ( 0.000 -7.389 7.392) 10.452 3.073 ( 0.000 7.389 7.392) 10.452 3.292 ( 0.000 -1.385 -2.204) 2.603 3.292 ( 0.000 1.385 -2.204) 2.603 3.693 ( 0.000 -3.744 -1.233) 3.941 3.693 ( 0.000 3.744 -1.233) 3.941 3.882 ( 0.000 -5.696 -6.085) 8.335 3.882 ( 0.000 5.696 -6.085) 8.335 5.337 ( 0.000 -11.083 27.345) 29.505 5.337 ( 0.000 11.083 27.345) 29.505 5.883 ( 0.000 -3.367 -18.593) 18.895 5.883 ( 0.000 3.367 -18.593) 18.895 5.959 ( 0.000 -0.229 11.356) 11.359 5.959 ( 0.000 0.229 11.356) 11.359 6.136 ( 0.000 -7.611 -0.990) 7.675 6.136 ( 0.000 7.611 -0.990) 7.675 6.458 ( 0.000 -15.154 -8.039) 17.154 6.458 ( 0.000 15.154 -8.039) 17.154 6.521 ( 0.000 -4.278 -6.007) 7.375 6.521 ( 0.000 4.278 -6.007) 7.375 7.184 ( 0.000 -0.585 -1.822) 1.913 7.184 ( 0.000 0.585 -1.822) 1.913 7.791 ( 0.000 -1.498 -1.476) 2.103 7.791 ( 0.000 1.498 -1.476) 2.103 8.760 ( 0.000 -0.547 0.895) 1.048 8.760 ( 0.000 0.547 0.895) 1.048 8.993 ( 0.000 -1.239 0.965) 1.571 8.993 ( 0.000 1.239 0.965) 1.571 10.282 ( 0.000 -3.119 0.249) 3.129 10.282 ( 0.000 3.119 0.249) 3.129 11.221 ( 0.000 -1.240 -0.761) 1.455 11.221 ( 0.000 1.240 -0.761) 1.455 12.813 ( 0.000 -2.544 18.539) 18.713 12.813 ( 0.000 2.544 18.539) 18.713 13.236 ( 0.000 -5.547 -18.985) 19.779 13.236 ( 0.000 5.547 -18.985) 19.779 13.866 ( 0.000 -2.171 2.594) 3.383 13.866 ( 0.000 2.171 2.594) 3.383 14.192 ( 0.000 -2.721 -2.106) 3.441 14.192 ( 0.000 2.721 -2.106) 3.441 14.981 ( 0.000 -7.141 1.332) 7.264 14.981 ( 0.000 7.141 1.332) 7.264 15.012 ( 0.000 -6.433 1.814) 6.684 15.012 ( 0.000 6.433 1.814) 6.684 15.685 ( 0.000 -0.312 -1.102) 1.145 15.685 ( 0.000 0.312 -1.102) 1.145 16.163 ( 0.000 -0.001 2.089) 2.089 16.163 ( 0.000 0.001 2.089) 2.089 16.310 ( 0.000 -0.892 -0.754) 1.168 16.310 ( 0.000 0.892 -0.754) 1.168 16.348 ( 0.000 -0.245 -0.423) 0.489 16.348 ( 0.000 0.245 -0.423) 0.489 17.548 ( 0.000 -7.113 1.017) 7.186 17.548 ( 0.000 7.113 1.017) 7.186 17.627 ( 0.000 -6.171 -3.667) 7.178 17.627 ( 0.000 6.171 -3.667) 7.178 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -9.287 -1.798 8.122) 12.468 2.573 ( -9.287 1.798 8.122) 12.468 2.910 ( -4.684 -9.013 0.878) 10.196 2.910 ( -4.684 9.013 0.878) 10.196 3.124 ( 0.707 -7.670 2.374) 8.060 3.124 ( 0.707 7.670 2.374) 8.060 3.289 ( -0.645 -2.978 -6.769) 7.424 3.289 ( -0.645 2.978 -6.769) 7.424 3.678 ( -1.131 -2.416 1.419) 3.021 3.678 ( -1.131 2.416 1.419) 3.021 3.855 ( -1.979 -5.910 -7.803) 9.986 3.855 ( -1.979 5.910 -7.803) 9.986 5.269 ( -8.677 -5.014 25.275) 27.190 5.269 ( -8.677 5.014 25.275) 27.190 5.795 ( -10.151 -1.852 -17.869) 20.634 5.795 ( -10.151 1.852 -17.869) 20.634 5.956 ( 1.692 -11.702 6.110) 13.309 5.956 ( 1.692 11.702 6.110) 13.309 6.135 ( 2.592 -14.864 -0.341) 15.092 6.135 ( 2.592 14.864 -0.341) 15.092 6.483 ( 3.583 -12.789 -3.923) 13.849 6.483 ( 3.583 12.789 -3.923) 13.849 6.605 ( 5.283 -7.006 -4.486) 9.855 6.605 ( 5.283 7.006 -4.486) 9.855 7.169 ( -1.539 -0.705 -1.909) 2.551 7.169 ( -1.539 0.705 -1.909) 2.551 7.706 ( -8.202 -1.572 -1.401) 8.469 7.706 ( -8.202 1.573 -1.401) 8.469 8.809 ( 4.970 -0.794 1.089) 5.149 8.809 ( 4.970 0.794 1.089) 5.149 9.055 ( 5.787 -1.385 0.948) 6.026 9.055 ( 5.787 1.385 0.948) 6.026 10.330 ( 4.706 -3.429 0.097) 5.824 10.330 ( 4.706 3.429 0.097) 5.824 11.181 ( -3.990 -1.378 -0.854) 4.307 11.181 ( -3.990 1.378 -0.854) 4.307 12.786 ( -2.329 -0.539 16.967) 17.134 12.786 ( -2.329 0.539 16.967) 17.134 13.170 ( -5.907 -2.708 -17.929) 19.070 13.170 ( -5.907 2.708 -17.929) 19.070 13.936 ( 6.001 -2.216 3.115) 7.116 13.936 ( 6.001 2.216 3.115) 7.116 14.174 ( -1.463 -2.598 -2.390) 3.821 14.174 ( -1.463 2.598 -2.390) 3.821 15.019 ( 3.380 -7.420 1.755) 8.340 15.019 ( 3.380 7.420 1.755) 8.340 15.050 ( 3.975 -6.763 1.852) 8.060 15.050 ( 3.975 6.763 1.852) 8.060 15.720 ( 3.705 -0.342 -0.928) 3.835 15.720 ( 3.705 0.342 -0.928) 3.835 16.113 ( -4.387 -1.014 1.422) 4.722 16.113 ( -4.387 1.014 1.422) 4.722 16.311 ( 0.369 -0.288 0.245) 0.529 16.311 ( 0.369 0.288 0.245) 0.529 16.387 ( 2.876 -1.403 -0.807) 3.300 16.387 ( 2.876 1.403 -0.807) 3.300 17.548 ( -0.008 -6.988 0.934) 7.050 17.548 ( -0.008 6.988 0.934) 7.050 17.621 ( -0.583 -6.127 -3.334) 6.999 17.621 ( -0.583 6.127 -3.334) 6.999 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -9.924 -3.718 6.258) 12.308 2.370 ( -9.924 3.718 6.258) 12.308 2.842 ( -3.359 -6.886 1.243) 7.762 2.842 ( -3.359 6.886 1.243) 7.762 3.065 ( -6.353 -6.215 4.049) 9.767 3.065 ( -6.353 6.215 4.049) 9.767 3.251 ( -3.414 -5.480 -8.351) 10.556 3.251 ( -3.414 5.480 -8.351) 10.556 3.690 ( 3.195 -4.492 2.601) 6.095 3.690 ( 3.195 4.492 2.601) 6.095 3.831 ( -0.328 -5.625 -8.382) 10.099 3.831 ( -0.328 5.625 -8.382) 10.099 5.014 ( -16.144 -0.312 19.544) 25.351 5.014 ( -16.144 0.312 19.544) 25.351 5.489 ( -19.721 -1.215 -21.552) 29.238 5.489 ( -19.721 1.215 -21.552) 29.238 6.094 ( 10.901 -22.403 11.513) 27.446 6.094 ( 10.901 22.403 11.513) 27.446 6.246 ( 7.880 -15.121 -2.015) 17.170 6.246 ( 7.880 15.121 -2.015) 17.170 6.543 ( 2.259 -9.693 -2.294) 10.213 6.543 ( 2.259 9.693 -2.294) 10.213 6.685 ( 2.917 -5.504 -2.678) 6.780 6.685 ( 2.917 5.504 -2.678) 6.780 7.124 ( -3.220 -1.573 -1.289) 3.808 7.124 ( -3.220 1.573 -1.289) 3.808 7.512 ( -11.383 -1.708 -1.276) 11.581 7.512 ( -11.383 1.708 -1.276) 11.581 8.936 ( 7.903 -1.251 1.497) 8.140 8.936 ( 7.903 1.251 1.497) 8.140 9.180 ( 6.417 -2.009 1.074) 6.809 9.180 ( 6.417 2.009 1.074) 6.809 10.444 ( 6.684 -4.125 -0.262) 7.859 10.444 ( 6.684 4.125 -0.262) 7.859 11.078 ( -6.563 -1.914 -1.162) 6.934 11.078 ( -6.563 1.914 -1.162) 6.934 12.747 ( -1.333 -3.452 13.039) 13.554 12.747 ( -1.333 3.452 13.039) 13.554 13.047 ( -6.362 -1.978 -15.026) 16.436 13.047 ( -6.362 1.978 -15.026) 16.436 14.042 ( 4.264 -4.546 4.401) 7.630 14.042 ( 4.264 4.546 4.401) 7.630 14.154 ( -0.379 -4.228 -3.230) 5.334 14.154 ( -0.379 4.228 -3.230) 5.334 15.086 ( 3.320 -4.851 2.125) 6.251 15.086 ( 3.320 4.851 2.125) 6.251 15.151 ( 5.983 -4.353 2.277) 7.741 15.151 ( 5.983 4.353 2.277) 7.741 15.823 ( 6.594 -0.876 0.072) 6.653 15.823 ( 6.594 0.876 0.072) 6.653 16.026 ( -4.059 -1.209 0.691) 4.291 16.026 ( -4.059 1.209 0.691) 4.291 16.321 ( 0.619 -0.471 0.709) 1.053 16.321 ( 0.619 0.471 0.709) 1.053 16.434 ( 1.827 -1.976 -0.804) 2.809 16.434 ( 1.827 1.976 -0.804) 2.809 17.548 ( -0.051 -6.769 0.731) 6.808 17.548 ( -0.051 6.769 0.731) 6.808 17.605 ( -1.073 -6.096 -2.548) 6.693 17.605 ( -1.073 6.096 -2.548) 6.693 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -1.810 -4.244 3.727) 5.931 2.251 ( -1.810 4.244 3.727) 5.931 2.723 ( -10.234 -2.215 -1.938) 10.649 2.723 ( -10.234 2.215 -1.938) 10.649 2.966 ( -1.683 -4.446 1.137) 4.888 2.966 ( -1.683 4.446 1.137) 4.888 3.170 ( -4.799 -2.807 -1.922) 5.882 3.170 ( -4.799 2.807 -1.922) 5.882 3.783 ( 5.201 -3.763 -0.122) 6.420 3.783 ( 5.201 3.763 -0.122) 6.420 3.846 ( 2.029 -4.453 -4.698) 6.783 3.846 ( 2.029 4.453 -4.698) 6.783 4.724 ( -12.520 -0.256 11.545) 17.032 4.724 ( -12.520 0.256 11.545) 17.032 5.102 ( -19.913 -1.374 -18.212) 27.020 5.102 ( -19.913 1.374 -18.212) 27.020 6.295 ( 8.726 -19.609 7.960) 22.891 6.295 ( 8.726 19.609 7.960) 22.891 6.392 ( 6.248 -7.747 -0.811) 9.986 6.392 ( 6.248 7.747 -0.811) 9.986 6.596 ( 4.077 -11.224 1.852) 12.084 6.596 ( 4.077 11.224 1.852) 12.084 6.716 ( 0.797 -4.752 -4.504) 6.596 6.716 ( 0.797 4.752 -4.504) 6.596 7.052 ( -3.936 -1.689 -0.180) 4.287 7.052 ( -3.936 1.689 -0.180) 4.287 7.298 ( -10.636 -2.087 -0.830) 10.871 7.298 ( -10.636 2.087 -0.830) 10.871 9.092 ( 7.969 -1.787 1.856) 8.375 9.092 ( 7.969 1.787 1.856) 8.375 9.275 ( 3.197 -2.558 1.410) 4.330 9.275 ( 3.197 2.558 1.410) 4.330 10.570 ( 6.428 -4.705 -0.721) 7.999 10.570 ( 6.428 4.705 -0.721) 7.999 10.944 ( -7.215 -2.899 -1.533) 7.926 10.944 ( -7.215 2.899 -1.533) 7.926 12.746 ( 1.219 -6.151 7.911) 10.095 12.746 ( 1.219 6.151 7.911) 10.095 12.938 ( -4.988 -5.214 -10.269) 12.551 12.938 ( -4.988 5.214 -10.269) 12.551 14.093 ( 1.672 -7.158 3.354) 8.080 14.093 ( 1.672 7.158 3.354) 8.080 14.157 ( 0.215 -6.473 -2.188) 6.836 14.157 ( 0.215 6.473 -2.188) 6.836 15.146 ( 3.193 -2.898 2.135) 4.812 15.146 ( 3.193 2.898 2.135) 4.812 15.248 ( 3.334 -2.779 2.648) 5.085 15.248 ( 3.334 2.779 2.648) 5.085 15.935 ( 3.802 -3.540 2.820) 5.911 15.935 ( 3.802 3.540 2.820) 5.911 15.985 ( 0.677 -3.413 -0.879) 3.588 15.985 ( 0.677 3.413 -0.879) 3.588 16.337 ( 1.215 -0.755 0.635) 1.565 16.337 ( 1.215 0.755 0.635) 1.565 16.450 ( -0.184 -2.005 -0.567) 2.092 16.450 ( -0.184 2.005 -0.567) 2.092 17.547 ( 0.010 -6.700 0.419) 6.713 17.547 ( 0.010 6.700 0.419) 6.713 17.583 ( -1.216 -6.258 -1.663) 6.588 17.583 ( -1.216 6.258 -1.663) 6.588 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 7.175 -3.128 -0.001) 7.827 2.306 ( 7.175 3.128 -0.001) 7.827 2.497 ( -11.979 -2.038 -2.457) 12.397 2.497 ( -11.979 2.038 -2.457) 12.397 2.992 ( 3.436 -2.525 -0.025) 4.263 2.992 ( 3.436 2.525 -0.025) 4.263 3.075 ( -4.946 -1.451 -0.020) 5.155 3.075 ( -4.946 1.451 -0.020) 5.155 3.855 ( 2.910 -1.446 -0.801) 3.346 3.855 ( 2.910 1.446 -0.801) 3.346 3.887 ( 0.495 -1.917 -0.186) 1.988 3.887 ( 0.495 1.917 -0.186) 1.988 4.604 ( 1.304 -0.932 0.007) 1.603 4.604 ( 1.304 0.932 0.007) 1.603 4.766 ( -14.300 -1.267 -10.943) 18.051 4.766 ( -14.300 1.267 -10.943) 18.051 6.409 ( 3.897 -10.559 3.298) 11.729 6.409 ( 3.897 10.559 3.298) 11.729 6.455 ( -0.144 -7.514 -0.166) 7.518 6.455 ( -0.144 7.514 -0.166) 7.518 6.682 ( 4.508 -3.906 2.048) 6.307 6.682 ( 4.508 3.906 2.048) 6.307 6.737 ( 0.114 -5.509 -1.587) 5.734 6.737 ( 0.114 5.509 -1.587) 5.734 7.011 ( 1.320 -1.356 -0.197) 1.903 7.011 ( 1.320 1.356 -0.197) 1.903 7.115 ( -8.290 -1.671 0.042) 8.457 7.115 ( -8.290 1.671 0.042) 8.457 9.224 ( 5.555 -2.316 1.975) 6.335 9.224 ( 5.555 2.316 1.975) 6.335 9.293 ( -1.435 -2.652 1.788) 3.506 9.293 ( -1.435 2.652 1.788) 3.506 10.689 ( 6.151 -4.706 -1.238) 7.843 10.689 ( 6.151 4.706 -1.238) 7.843 10.810 ( -6.673 -4.000 -1.596) 7.942 10.810 ( -6.673 4.000 -1.596) 7.942 12.788 ( 3.014 -7.073 2.030) 7.952 12.788 ( 3.014 7.073 2.030) 7.952 12.854 ( -3.912 -6.721 -4.267) 8.870 12.854 ( -3.912 6.721 -4.267) 8.870 14.123 ( 1.546 -6.267 1.279) 6.581 14.123 ( 1.546 6.267 1.279) 6.581 14.149 ( -1.034 -5.957 -0.317) 6.054 14.149 ( -1.034 5.957 -0.317) 6.054 15.210 ( 3.403 -2.349 2.239) 4.702 15.210 ( 3.403 2.349 2.239) 4.702 15.263 ( -1.528 -2.370 2.501) 3.769 15.263 ( -1.528 2.370 2.501) 3.769 15.981 ( 2.328 -2.876 2.205) 4.308 15.981 ( 2.328 2.876 2.205) 4.308 16.011 ( -0.065 -2.833 0.960) 2.992 16.011 ( -0.065 2.833 0.960) 2.992 16.375 ( 2.735 -1.128 0.186) 2.964 16.375 ( 2.735 1.128 0.186) 2.964 16.427 ( -2.235 -1.635 -0.211) 2.777 16.427 ( -2.235 1.635 -0.211) 2.777 17.550 ( 0.360 -6.721 -0.096) 6.731 17.550 ( 0.360 6.721 -0.096) 6.731 17.562 ( -0.893 -6.561 -0.825) 6.673 17.562 ( -0.893 6.561 -0.825) 6.672 =================== 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 3/29160 10.0 7052.318 4260.826 3825.808 0.000 0.000 0.000 3/29160 20.0 1059.561 814.347 739.224 0.000 0.000 0.000 3/29160 30.0 386.464 312.250 291.910 0.000 0.000 0.000 3/29160 40.0 199.153 164.323 157.061 0.000 0.000 0.000 3/29160 50.0 121.038 101.334 98.338 0.000 0.000 0.000 3/29160 60.0 82.182 69.583 68.294 0.000 0.000 0.000 3/29160 70.0 60.443 51.627 51.089 0.000 0.000 0.000 3/29160 80.0 47.098 40.517 40.309 0.000 0.000 0.000 3/29160 90.0 38.269 33.130 33.051 0.000 0.000 0.000 3/29160 100.0 32.074 27.929 27.883 0.000 0.000 0.000 3/29160 110.0 27.522 24.099 24.040 0.000 0.000 0.000 3/29160 120.0 24.055 21.175 21.084 0.000 0.000 0.000 3/29160 130.0 21.336 18.878 18.749 0.000 0.000 0.000 3/29160 140.0 19.155 17.031 16.864 0.000 0.000 0.000 3/29160 150.0 17.371 15.517 15.315 0.000 0.000 0.000 3/29160 160.0 15.888 14.254 14.022 0.000 0.000 0.000 3/29160 170.0 14.637 13.187 12.928 0.000 0.000 0.000 3/29160 180.0 13.570 12.273 11.993 0.000 0.000 0.000 3/29160 190.0 12.649 11.482 11.184 0.000 0.000 0.000 3/29160 200.0 11.847 10.792 10.479 0.000 0.000 0.000 3/29160 210.0 11.143 10.183 9.859 0.000 0.000 0.000 3/29160 220.0 10.520 9.643 9.309 0.000 0.000 0.000 3/29160 230.0 9.964 9.159 8.819 0.000 0.000 0.000 3/29160 240.0 9.466 8.725 8.379 0.000 0.000 0.000 3/29160 250.0 9.017 8.331 7.982 0.000 0.000 0.000 3/29160 260.0 8.609 7.974 7.623 0.000 0.000 0.000 3/29160 270.0 8.239 7.647 7.295 0.000 0.000 0.000 3/29160 280.0 7.899 7.347 6.995 0.000 0.000 0.000 3/29160 290.0 7.588 7.071 6.719 0.000 0.000 0.000 3/29160 300.0 7.301 6.816 6.466 0.000 0.000 0.000 3/29160 310.0 7.036 6.580 6.231 0.000 0.000 0.000 3/29160 320.0 6.789 6.360 6.013 0.000 0.000 0.000 3/29160 330.0 6.560 6.154 5.810 0.000 0.000 0.000 3/29160 340.0 6.347 5.963 5.621 0.000 0.000 0.000 3/29160 350.0 6.147 5.783 5.445 0.000 0.000 0.000 3/29160 360.0 5.960 5.614 5.279 0.000 0.000 0.000 3/29160 370.0 5.784 5.455 5.124 0.000 0.000 0.000 3/29160 380.0 5.619 5.305 4.977 0.000 0.000 0.000 3/29160 390.0 5.463 5.163 4.839 0.000 0.000 0.000 3/29160 400.0 5.316 5.029 4.709 0.000 0.000 0.000 3/29160 410.0 5.177 4.902 4.586 0.000 0.000 0.000 3/29160 420.0 5.045 4.781 4.469 0.000 0.000 0.000 3/29160 430.0 4.919 4.667 4.358 0.000 0.000 0.000 3/29160 440.0 4.800 4.557 4.252 0.000 0.000 0.000 3/29160 450.0 4.687 4.453 4.152 0.000 0.000 0.000 3/29160 460.0 4.579 4.354 4.056 0.000 0.000 0.000 3/29160 470.0 4.476 4.259 3.965 0.000 0.000 0.000 3/29160 480.0 4.378 4.168 3.878 0.000 0.000 0.000 3/29160 490.0 4.284 4.081 3.795 0.000 0.000 0.000 3/29160 500.0 4.194 3.998 3.715 0.000 0.000 0.000 3/29160 510.0 4.108 3.918 3.639 0.000 0.000 0.000 3/29160 520.0 4.025 3.841 3.566 0.000 0.000 0.000 3/29160 530.0 3.946 3.767 3.495 0.000 0.000 0.000 3/29160 540.0 3.870 3.696 3.428 0.000 0.000 0.000 3/29160 550.0 3.796 3.628 3.363 0.000 0.000 0.000 3/29160 560.0 3.726 3.562 3.301 0.000 0.000 0.000 3/29160 570.0 3.658 3.499 3.240 0.000 0.000 0.000 3/29160 580.0 3.592 3.438 3.183 0.000 0.000 0.000 3/29160 590.0 3.529 3.379 3.127 0.000 0.000 0.000 3/29160 600.0 3.468 3.322 3.073 0.000 0.000 0.000 3/29160 610.0 3.410 3.267 3.021 0.000 0.000 0.000 3/29160 620.0 3.353 3.213 2.970 0.000 0.000 0.000 3/29160 630.0 3.298 3.162 2.922 0.000 0.000 0.000 3/29160 640.0 3.245 3.112 2.875 0.000 0.000 0.000 3/29160 650.0 3.194 3.064 2.829 0.000 0.000 0.000 3/29160 660.0 3.144 3.017 2.785 0.000 0.000 0.000 3/29160 670.0 3.096 2.971 2.742 0.000 0.000 0.000 3/29160 680.0 3.049 2.927 2.701 0.000 0.000 0.000 3/29160 690.0 3.003 2.884 2.661 0.000 0.000 0.000 3/29160 700.0 2.959 2.843 2.622 0.000 0.000 0.000 3/29160 710.0 2.917 2.803 2.584 0.000 0.000 0.000 3/29160 720.0 2.875 2.763 2.547 0.000 0.000 0.000 3/29160 730.0 2.835 2.725 2.512 0.000 0.000 0.000 3/29160 740.0 2.796 2.688 2.477 0.000 0.000 0.000 3/29160 750.0 2.758 2.652 2.443 0.000 0.000 0.000 3/29160 760.0 2.721 2.617 2.410 0.000 0.000 0.000 3/29160 770.0 2.684 2.583 2.378 0.000 0.000 0.000 3/29160 780.0 2.649 2.550 2.347 0.000 0.000 0.000 3/29160 790.0 2.615 2.517 2.317 0.000 0.000 0.000 3/29160 800.0 2.582 2.486 2.287 0.000 0.000 0.000 3/29160 810.0 2.549 2.455 2.259 0.000 0.000 0.000 3/29160 820.0 2.518 2.425 2.231 0.000 0.000 0.000 3/29160 830.0 2.487 2.395 2.203 0.000 0.000 0.000 3/29160 840.0 2.457 2.367 2.176 0.000 0.000 0.000 3/29160 850.0 2.427 2.339 2.150 0.000 0.000 0.000 3/29160 860.0 2.399 2.311 2.125 0.000 0.000 0.000 3/29160 870.0 2.371 2.285 2.100 0.000 0.000 0.000 3/29160 880.0 2.343 2.259 2.076 0.000 0.000 0.000 3/29160 890.0 2.316 2.233 2.052 0.000 0.000 0.000 3/29160 900.0 2.290 2.208 2.029 0.000 0.000 0.000 3/29160 910.0 2.265 2.184 2.006 0.000 0.000 0.000 3/29160 920.0 2.240 2.160 1.984 0.000 0.000 0.000 3/29160 930.0 2.215 2.137 1.963 0.000 0.000 0.000 3/29160 940.0 2.191 2.114 1.942 0.000 0.000 0.000 3/29160 950.0 2.168 2.092 1.921 0.000 0.000 0.000 3/29160 960.0 2.145 2.070 1.901 0.000 0.000 0.000 3/29160 970.0 2.123 2.049 1.881 0.000 0.000 0.000 3/29160 980.0 2.101 2.028 1.861 0.000 0.000 0.000 3/29160 990.0 2.079 2.007 1.842 0.000 0.000 0.000 3/29160 1000.0 2.058 1.987 1.824 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:29:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|