----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:24:48]------------------------- 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 6.203962229999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.669912350000002 0.000000000000000 c 0.000000000000000 0.000000000000000 6.097956770000000 Atomic positions (fractional): *1 F 0.28929715974173 0.45854897310231 0.70909760121648 18.998 2 F 0.78929715974173 0.04145102689769 0.79090239878352 18.998 3 F 0.21070284025827 0.54145102689769 0.20909760121648 18.998 4 F 0.71070284025827 0.95854897310231 0.29090239878352 18.998 5 F 0.71070284025827 0.54145102689769 0.29090239878352 18.998 6 F 0.21070284025827 0.95854897310231 0.20909760121648 18.998 7 F 0.78929715974173 0.45854897310231 0.79090239878352 18.998 8 F 0.28929715974173 0.04145102689769 0.70909760121648 18.998 *9 F 0.47570408832221 0.25000000000000 0.07812567876305 18.998 10 F 0.97570408832221 0.25000000000000 0.42187432123695 18.998 11 F 0.02429591167780 0.75000000000000 0.57812567876305 18.998 12 F 0.52429591167779 0.75000000000000 0.92187432123695 18.998 *13 K 0.04203733543141 0.25000000000000 0.98959204594216 39.098 14 K 0.54203733543141 0.25000000000000 0.51040795405784 39.098 15 K 0.45796266456859 0.75000000000000 0.48959204594216 39.098 16 K 0.95796266456859 0.75000000000000 0.01040795405784 39.098 *17 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 18 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 19 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 20 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.203962229999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.669912350000002 0.000000000000000 c 0.000000000000000 0.000000000000000 6.097956770000000 Atomic positions (fractional): *1 F 0.28929715974173 0.45854897310231 0.70909760121648 18.998 > 1 2 F 0.78929715974173 0.04145102689769 0.79090239878352 18.998 > 2 3 F 0.21070284025827 0.54145102689769 0.20909760121648 18.998 > 3 4 F 0.71070284025827 0.95854897310231 0.29090239878352 18.998 > 4 5 F 0.71070284025827 0.54145102689769 0.29090239878352 18.998 > 5 6 F 0.21070284025827 0.95854897310231 0.20909760121648 18.998 > 6 7 F 0.78929715974173 0.45854897310231 0.79090239878352 18.998 > 7 8 F 0.28929715974173 0.04145102689769 0.70909760121648 18.998 > 8 *9 F 0.47570408832221 0.25000000000000 0.07812567876305 18.998 > 9 10 F 0.97570408832221 0.25000000000000 0.42187432123695 18.998 > 10 11 F 0.02429591167780 0.75000000000000 0.57812567876305 18.998 > 11 12 F 0.52429591167779 0.75000000000000 0.92187432123695 18.998 > 12 *13 K 0.04203733543141 0.25000000000000 0.98959204594216 39.098 > 13 14 K 0.54203733543141 0.25000000000000 0.51040795405784 39.098 > 14 15 K 0.45796266456859 0.75000000000000 0.48959204594216 39.098 > 15 16 K 0.95796266456859 0.75000000000000 0.01040795405784 39.098 > 16 *17 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 17 18 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 18 19 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 19 20 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.407924459999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.669912350000002 0.000000000000000 c 0.000000000000000 0.000000000000000 12.195913539999999 Atomic positions (fractional): *1 F 0.14464857987087 0.45854897310231 0.35454880060824 18.998 > 1 2 F 0.64464857987087 0.45854897310231 0.35454880060824 18.998 > 1 3 F 0.14464857987087 0.45854897310231 0.85454880060824 18.998 > 1 4 F 0.64464857987087 0.45854897310231 0.85454880060824 18.998 > 1 5 F 0.39464857987087 0.04145102689769 0.39545119939176 18.998 > 2 6 F 0.89464857987087 0.04145102689769 0.39545119939176 18.998 > 2 7 F 0.39464857987087 0.04145102689769 0.89545119939176 18.998 > 2 8 F 0.89464857987087 0.04145102689769 0.89545119939176 18.998 > 2 9 F 0.10535142012913 0.54145102689769 0.10454880060824 18.998 > 3 10 F 0.60535142012913 0.54145102689769 0.10454880060824 18.998 > 3 11 F 0.10535142012913 0.54145102689769 0.60454880060824 18.998 > 3 12 F 0.60535142012913 0.54145102689769 0.60454880060824 18.998 > 3 13 F 0.35535142012913 0.95854897310231 0.14545119939176 18.998 > 4 14 F 0.85535142012913 0.95854897310231 0.14545119939176 18.998 > 4 15 F 0.35535142012913 0.95854897310231 0.64545119939176 18.998 > 4 16 F 0.85535142012913 0.95854897310231 0.64545119939176 18.998 > 4 17 F 0.35535142012913 0.54145102689769 0.14545119939176 18.998 > 5 18 F 0.85535142012913 0.54145102689769 0.14545119939176 18.998 > 5 19 F 0.35535142012913 0.54145102689769 0.64545119939176 18.998 > 5 20 F 0.85535142012913 0.54145102689769 0.64545119939176 18.998 > 5 21 F 0.10535142012913 0.95854897310231 0.10454880060824 18.998 > 6 22 F 0.60535142012913 0.95854897310231 0.10454880060824 18.998 > 6 23 F 0.10535142012913 0.95854897310231 0.60454880060824 18.998 > 6 24 F 0.60535142012913 0.95854897310231 0.60454880060824 18.998 > 6 25 F 0.39464857987087 0.45854897310231 0.39545119939176 18.998 > 7 26 F 0.89464857987087 0.45854897310231 0.39545119939176 18.998 > 7 27 F 0.39464857987087 0.45854897310231 0.89545119939176 18.998 > 7 28 F 0.89464857987087 0.45854897310231 0.89545119939176 18.998 > 7 29 F 0.14464857987087 0.04145102689769 0.35454880060824 18.998 > 8 30 F 0.64464857987087 0.04145102689769 0.35454880060824 18.998 > 8 31 F 0.14464857987087 0.04145102689769 0.85454880060824 18.998 > 8 32 F 0.64464857987087 0.04145102689769 0.85454880060824 18.998 > 8 *33 F 0.23785204416110 0.25000000000000 0.03906283938152 18.998 > 9 34 F 0.73785204416110 0.25000000000000 0.03906283938152 18.998 > 9 35 F 0.23785204416110 0.25000000000000 0.53906283938152 18.998 > 9 36 F 0.73785204416110 0.25000000000000 0.53906283938152 18.998 > 9 37 F 0.48785204416110 0.25000000000000 0.21093716061848 18.998 > 10 38 F 0.98785204416110 0.25000000000000 0.21093716061848 18.998 > 10 39 F 0.48785204416110 0.25000000000000 0.71093716061848 18.998 > 10 40 F 0.98785204416110 0.25000000000000 0.71093716061848 18.998 > 10 41 F 0.01214795583890 0.75000000000000 0.28906283938152 18.998 > 11 42 F 0.51214795583890 0.75000000000000 0.28906283938152 18.998 > 11 43 F 0.01214795583890 0.75000000000000 0.78906283938152 18.998 > 11 44 F 0.51214795583890 0.75000000000000 0.78906283938152 18.998 > 11 45 F 0.26214795583890 0.75000000000000 0.46093716061848 18.998 > 12 46 F 0.76214795583890 0.75000000000000 0.46093716061848 18.998 > 12 47 F 0.26214795583890 0.75000000000000 0.96093716061848 18.998 > 12 48 F 0.76214795583890 0.75000000000000 0.96093716061848 18.998 > 12 *49 K 0.02101866771571 0.25000000000000 0.49479602297108 39.098 > 13 50 K 0.52101866771571 0.25000000000000 0.49479602297108 39.098 > 13 51 K 0.02101866771571 0.25000000000000 0.99479602297108 39.098 > 13 52 K 0.52101866771571 0.25000000000000 0.99479602297108 39.098 > 13 53 K 0.27101866771571 0.25000000000000 0.25520397702892 39.098 > 14 54 K 0.77101866771571 0.25000000000000 0.25520397702892 39.098 > 14 55 K 0.27101866771571 0.25000000000000 0.75520397702892 39.098 > 14 56 K 0.77101866771571 0.25000000000000 0.75520397702892 39.098 > 14 57 K 0.22898133228429 0.75000000000000 0.24479602297108 39.098 > 15 58 K 0.72898133228429 0.75000000000000 0.24479602297108 39.098 > 15 59 K 0.22898133228429 0.75000000000000 0.74479602297108 39.098 > 15 60 K 0.72898133228429 0.75000000000000 0.74479602297108 39.098 > 15 61 K 0.47898133228429 0.75000000000000 0.00520397702892 39.098 > 16 62 K 0.97898133228429 0.75000000000000 0.00520397702892 39.098 > 16 63 K 0.47898133228429 0.75000000000000 0.50520397702892 39.098 > 16 64 K 0.97898133228429 0.75000000000000 0.50520397702892 39.098 > 16 *65 Cd 0.00000000000000 0.00000000000000 0.25000000000000 112.411 > 17 66 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 17 67 Cd 0.00000000000000 0.00000000000000 0.75000000000000 112.411 > 17 68 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 17 69 Cd 0.25000000000000 0.50000000000000 0.00000000000000 112.411 > 18 70 Cd 0.75000000000000 0.50000000000000 0.00000000000000 112.411 > 18 71 Cd 0.25000000000000 0.50000000000000 0.50000000000000 112.411 > 18 72 Cd 0.75000000000000 0.50000000000000 0.50000000000000 112.411 > 18 73 Cd 0.25000000000000 0.00000000000000 0.00000000000000 112.411 > 19 74 Cd 0.75000000000000 0.00000000000000 0.00000000000000 112.411 > 19 75 Cd 0.25000000000000 0.00000000000000 0.50000000000000 112.411 > 19 76 Cd 0.75000000000000 0.00000000000000 0.50000000000000 112.411 > 19 77 Cd 0.00000000000000 0.50000000000000 0.25000000000000 112.411 > 20 78 Cd 0.50000000000000 0.50000000000000 0.25000000000000 112.411 > 20 79 Cd 0.00000000000000 0.50000000000000 0.75000000000000 112.411 > 20 80 Cd 0.50000000000000 0.50000000000000 0.75000000000000 112.411 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3866339 0.0000000 0.0000000 0.0000000 2.3830826 0.0000000 0.0000000 0.0000000 2.3832243 -------------------------- Born effective charges -------------------------- 1 F -1.3161775 0.0248950 -0.3932366 0.0270231 -0.9038956 0.0082338 -0.3892013 0.0048591 -1.2824864 2 F -1.3161775 -0.0248950 0.3932366 -0.0270231 -0.9038956 0.0082338 0.3892013 0.0048591 -1.2824864 3 F -1.3161775 0.0248950 0.3932366 0.0270231 -0.9038956 -0.0082338 0.3892013 -0.0048591 -1.2824864 4 F -1.3161775 -0.0248950 -0.3932366 -0.0270231 -0.9038956 -0.0082338 -0.3892013 -0.0048591 -1.2824864 5 F -1.3161775 0.0248950 -0.3932366 0.0270231 -0.9038956 0.0082338 -0.3892013 0.0048591 -1.2824864 6 F -1.3161775 -0.0248950 0.3932366 -0.0270231 -0.9038956 0.0082338 0.3892013 0.0048591 -1.2824864 7 F -1.3161775 0.0248950 0.3932366 0.0270231 -0.9038956 -0.0082338 0.3892013 -0.0048591 -1.2824864 8 F -1.3161775 -0.0248950 -0.3932366 -0.0270231 -0.9038956 -0.0082338 -0.3892013 -0.0048591 -1.2824864 9 F -0.8720192 0.0000000 -0.0395164 0.0000000 -1.6873940 0.0000000 -0.0090255 0.0000000 -0.9353076 10 F -0.8720192 0.0000000 0.0395164 0.0000000 -1.6873940 0.0000000 0.0090255 0.0000000 -0.9353076 11 F -0.8720192 0.0000000 0.0395164 0.0000000 -1.6873940 0.0000000 0.0090255 0.0000000 -0.9353076 12 F -0.8720192 0.0000000 -0.0395164 0.0000000 -1.6873940 0.0000000 -0.0090255 0.0000000 -0.9353076 13 K 1.1795035 0.0000000 0.0477253 0.0000000 1.1737764 0.0000000 0.0402355 0.0000000 1.1904305 14 K 1.1795035 0.0000000 -0.0477253 0.0000000 1.1737764 0.0000000 -0.0402355 0.0000000 1.1904305 15 K 1.1795035 0.0000000 -0.0477253 0.0000000 1.1737764 0.0000000 -0.0402355 0.0000000 1.1904305 16 K 1.1795035 0.0000000 0.0477253 0.0000000 1.1737764 0.0000000 0.0402355 0.0000000 1.1904305 17 Cd 2.3248705 -0.0333203 -0.0586260 -0.0484024 2.3214088 -0.0759072 0.0746609 0.1154380 2.3098499 18 Cd 2.3248705 0.0333203 0.0586260 0.0484024 2.3214088 -0.0759072 -0.0746609 0.1154380 2.3098499 19 Cd 2.3248705 -0.0333203 0.0586260 -0.0484024 2.3214088 0.0759072 -0.0746609 -0.1154380 2.3098499 20 Cd 2.3248705 0.0333203 -0.0586260 0.0484024 2.3214088 0.0759072 0.0746609 -0.1154380 2.3098499 ---------------------------------------------------------------------------- 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: 0.715 Solver_block: 200 / 320 - Time: 0.725 Solver_block: 300 / 320 - Time: 0.724 Solver_block: 320 / 320 - Time: 0.179 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.360 --------------------------------- 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 23:25:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:25:01]------------------------- 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 6.203962229999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.669912350000002 0.000000000000000 c 0.000000000000000 0.000000000000000 6.097956770000000 Atomic positions (fractional): 1 F 0.28929715974173 0.45854897310231 0.70909760121648 18.998 2 F 0.78929715974173 0.04145102689769 0.79090239878352 18.998 3 F 0.21070284025827 0.54145102689769 0.20909760121648 18.998 4 F 0.71070284025827 0.95854897310231 0.29090239878352 18.998 5 F 0.71070284025827 0.54145102689769 0.29090239878352 18.998 6 F 0.21070284025827 0.95854897310231 0.20909760121648 18.998 7 F 0.78929715974173 0.45854897310231 0.79090239878352 18.998 8 F 0.28929715974173 0.04145102689769 0.70909760121648 18.998 9 F 0.47570408832221 0.25000000000000 0.07812567876305 18.998 10 F 0.97570408832221 0.25000000000000 0.42187432123695 18.998 11 F 0.02429591167780 0.75000000000000 0.57812567876305 18.998 12 F 0.52429591167779 0.75000000000000 0.92187432123695 18.998 13 K 0.04203733543141 0.25000000000000 0.98959204594216 39.098 14 K 0.54203733543141 0.25000000000000 0.51040795405784 39.098 15 K 0.45796266456859 0.75000000000000 0.48959204594216 39.098 16 K 0.95796266456859 0.75000000000000 0.01040795405784 39.098 17 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 18 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 19 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 20 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.407924459999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.669912350000002 0.000000000000000 c 0.000000000000000 0.000000000000000 12.195913539999999 Atomic positions (fractional): 1 F 0.14464857987087 0.45854897310231 0.35454880060824 18.998 > 1 2 F 0.64464857987087 0.45854897310231 0.35454880060824 18.998 > 1 3 F 0.14464857987087 0.45854897310231 0.85454880060824 18.998 > 1 4 F 0.64464857987087 0.45854897310231 0.85454880060824 18.998 > 1 5 F 0.39464857987087 0.04145102689769 0.39545119939176 18.998 > 5 6 F 0.89464857987087 0.04145102689769 0.39545119939176 18.998 > 5 7 F 0.39464857987087 0.04145102689769 0.89545119939176 18.998 > 5 8 F 0.89464857987087 0.04145102689769 0.89545119939176 18.998 > 5 9 F 0.10535142012913 0.54145102689769 0.10454880060824 18.998 > 9 10 F 0.60535142012913 0.54145102689769 0.10454880060824 18.998 > 9 11 F 0.10535142012913 0.54145102689769 0.60454880060824 18.998 > 9 12 F 0.60535142012913 0.54145102689769 0.60454880060824 18.998 > 9 13 F 0.35535142012913 0.95854897310231 0.14545119939176 18.998 > 13 14 F 0.85535142012913 0.95854897310231 0.14545119939176 18.998 > 13 15 F 0.35535142012913 0.95854897310231 0.64545119939176 18.998 > 13 16 F 0.85535142012913 0.95854897310231 0.64545119939176 18.998 > 13 17 F 0.35535142012913 0.54145102689769 0.14545119939176 18.998 > 17 18 F 0.85535142012913 0.54145102689769 0.14545119939176 18.998 > 17 19 F 0.35535142012913 0.54145102689769 0.64545119939176 18.998 > 17 20 F 0.85535142012913 0.54145102689769 0.64545119939176 18.998 > 17 21 F 0.10535142012913 0.95854897310231 0.10454880060824 18.998 > 21 22 F 0.60535142012913 0.95854897310231 0.10454880060824 18.998 > 21 23 F 0.10535142012913 0.95854897310231 0.60454880060824 18.998 > 21 24 F 0.60535142012913 0.95854897310231 0.60454880060824 18.998 > 21 25 F 0.39464857987087 0.45854897310231 0.39545119939176 18.998 > 25 26 F 0.89464857987087 0.45854897310231 0.39545119939176 18.998 > 25 27 F 0.39464857987087 0.45854897310231 0.89545119939176 18.998 > 25 28 F 0.89464857987087 0.45854897310231 0.89545119939176 18.998 > 25 29 F 0.14464857987087 0.04145102689769 0.35454880060824 18.998 > 29 30 F 0.64464857987087 0.04145102689769 0.35454880060824 18.998 > 29 31 F 0.14464857987087 0.04145102689769 0.85454880060824 18.998 > 29 32 F 0.64464857987087 0.04145102689769 0.85454880060824 18.998 > 29 33 F 0.23785204416110 0.25000000000000 0.03906283938152 18.998 > 33 34 F 0.73785204416110 0.25000000000000 0.03906283938152 18.998 > 33 35 F 0.23785204416110 0.25000000000000 0.53906283938152 18.998 > 33 36 F 0.73785204416110 0.25000000000000 0.53906283938152 18.998 > 33 37 F 0.48785204416110 0.25000000000000 0.21093716061848 18.998 > 37 38 F 0.98785204416110 0.25000000000000 0.21093716061848 18.998 > 37 39 F 0.48785204416110 0.25000000000000 0.71093716061848 18.998 > 37 40 F 0.98785204416110 0.25000000000000 0.71093716061848 18.998 > 37 41 F 0.01214795583890 0.75000000000000 0.28906283938152 18.998 > 41 42 F 0.51214795583890 0.75000000000000 0.28906283938152 18.998 > 41 43 F 0.01214795583890 0.75000000000000 0.78906283938152 18.998 > 41 44 F 0.51214795583890 0.75000000000000 0.78906283938152 18.998 > 41 45 F 0.26214795583890 0.75000000000000 0.46093716061848 18.998 > 45 46 F 0.76214795583890 0.75000000000000 0.46093716061848 18.998 > 45 47 F 0.26214795583890 0.75000000000000 0.96093716061848 18.998 > 45 48 F 0.76214795583890 0.75000000000000 0.96093716061848 18.998 > 45 49 K 0.02101866771571 0.25000000000000 0.49479602297108 39.098 > 49 50 K 0.52101866771571 0.25000000000000 0.49479602297108 39.098 > 49 51 K 0.02101866771571 0.25000000000000 0.99479602297108 39.098 > 49 52 K 0.52101866771571 0.25000000000000 0.99479602297108 39.098 > 49 53 K 0.27101866771571 0.25000000000000 0.25520397702892 39.098 > 53 54 K 0.77101866771571 0.25000000000000 0.25520397702892 39.098 > 53 55 K 0.27101866771571 0.25000000000000 0.75520397702892 39.098 > 53 56 K 0.77101866771571 0.25000000000000 0.75520397702892 39.098 > 53 57 K 0.22898133228429 0.75000000000000 0.24479602297108 39.098 > 57 58 K 0.72898133228429 0.75000000000000 0.24479602297108 39.098 > 57 59 K 0.22898133228429 0.75000000000000 0.74479602297108 39.098 > 57 60 K 0.72898133228429 0.75000000000000 0.74479602297108 39.098 > 57 61 K 0.47898133228429 0.75000000000000 0.00520397702892 39.098 > 61 62 K 0.97898133228429 0.75000000000000 0.00520397702892 39.098 > 61 63 K 0.47898133228429 0.75000000000000 0.50520397702892 39.098 > 61 64 K 0.97898133228429 0.75000000000000 0.50520397702892 39.098 > 61 65 Cd 0.00000000000000 0.00000000000000 0.25000000000000 112.411 > 65 66 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 65 67 Cd 0.00000000000000 0.00000000000000 0.75000000000000 112.411 > 65 68 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 65 69 Cd 0.25000000000000 0.50000000000000 0.00000000000000 112.411 > 69 70 Cd 0.75000000000000 0.50000000000000 0.00000000000000 112.411 > 69 71 Cd 0.25000000000000 0.50000000000000 0.50000000000000 112.411 > 69 72 Cd 0.75000000000000 0.50000000000000 0.50000000000000 112.411 > 69 73 Cd 0.25000000000000 0.00000000000000 0.00000000000000 112.411 > 73 74 Cd 0.75000000000000 0.00000000000000 0.00000000000000 112.411 > 73 75 Cd 0.25000000000000 0.00000000000000 0.50000000000000 112.411 > 73 76 Cd 0.75000000000000 0.00000000000000 0.50000000000000 112.411 > 73 77 Cd 0.00000000000000 0.50000000000000 0.25000000000000 112.411 > 77 78 Cd 0.50000000000000 0.50000000000000 0.25000000000000 112.411 > 77 79 Cd 0.00000000000000 0.50000000000000 0.75000000000000 112.411 > 77 80 Cd 0.50000000000000 0.50000000000000 0.75000000000000 112.411 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3866339 0.0000000 0.0000000 0.0000000 2.3830826 0.0000000 0.0000000 0.0000000 2.3832243 -------------------------- Born effective charges -------------------------- 1 F -1.3161775 0.0248950 -0.3932366 0.0270231 -0.9038956 0.0082338 -0.3892013 0.0048591 -1.2824864 2 F -1.3161775 -0.0248950 0.3932366 -0.0270231 -0.9038956 0.0082338 0.3892013 0.0048591 -1.2824864 3 F -1.3161775 0.0248950 0.3932366 0.0270231 -0.9038956 -0.0082338 0.3892013 -0.0048591 -1.2824864 4 F -1.3161775 -0.0248950 -0.3932366 -0.0270231 -0.9038956 -0.0082338 -0.3892013 -0.0048591 -1.2824864 5 F -1.3161775 0.0248950 -0.3932366 0.0270231 -0.9038956 0.0082338 -0.3892013 0.0048591 -1.2824864 6 F -1.3161775 -0.0248950 0.3932366 -0.0270231 -0.9038956 0.0082338 0.3892013 0.0048591 -1.2824864 7 F -1.3161775 0.0248950 0.3932366 0.0270231 -0.9038956 -0.0082338 0.3892013 -0.0048591 -1.2824864 8 F -1.3161775 -0.0248950 -0.3932366 -0.0270231 -0.9038956 -0.0082338 -0.3892013 -0.0048591 -1.2824864 9 F -0.8720192 0.0000000 -0.0395164 0.0000000 -1.6873940 0.0000000 -0.0090255 0.0000000 -0.9353076 10 F -0.8720192 0.0000000 0.0395164 0.0000000 -1.6873940 0.0000000 0.0090255 0.0000000 -0.9353076 11 F -0.8720192 0.0000000 0.0395164 0.0000000 -1.6873940 0.0000000 0.0090255 0.0000000 -0.9353076 12 F -0.8720192 0.0000000 -0.0395164 0.0000000 -1.6873940 0.0000000 -0.0090255 0.0000000 -0.9353076 13 K 1.1795035 0.0000000 0.0477253 0.0000000 1.1737764 0.0000000 0.0402355 0.0000000 1.1904305 14 K 1.1795035 0.0000000 -0.0477253 0.0000000 1.1737764 0.0000000 -0.0402355 0.0000000 1.1904305 15 K 1.1795035 0.0000000 -0.0477253 0.0000000 1.1737764 0.0000000 -0.0402355 0.0000000 1.1904305 16 K 1.1795035 0.0000000 0.0477253 0.0000000 1.1737764 0.0000000 0.0402355 0.0000000 1.1904305 17 Cd 2.3248705 -0.0333203 -0.0586260 -0.0484024 2.3214088 -0.0759072 0.0746609 0.1154380 2.3098499 18 Cd 2.3248705 0.0333203 0.0586260 0.0484024 2.3214088 -0.0759072 -0.0746609 0.1154380 2.3098499 19 Cd 2.3248705 -0.0333203 0.0586260 -0.0484024 2.3214088 0.0759072 -0.0746609 -0.1154380 2.3098499 20 Cd 2.3248705 0.0333203 -0.0586260 0.0484024 2.3214088 0.0759072 0.0746609 -0.1154380 2.3098499 ---------------------------------------------------------------------------- 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: -0.00000002 (yxy) -0.00000002 (yxy) -0.00000002 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) 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 23:25:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:25:12]------------------------- 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 6.203962229999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.669912350000002 0.000000000000000 c 0.000000000000000 0.000000000000000 6.097956770000000 Atomic positions (fractional): 1 F 0.28929715974173 0.45854897310231 0.70909760121648 18.998 2 F 0.78929715974173 0.04145102689769 0.79090239878352 18.998 3 F 0.21070284025827 0.54145102689769 0.20909760121648 18.998 4 F 0.71070284025827 0.95854897310231 0.29090239878352 18.998 5 F 0.71070284025827 0.54145102689769 0.29090239878352 18.998 6 F 0.21070284025827 0.95854897310231 0.20909760121648 18.998 7 F 0.78929715974173 0.45854897310231 0.79090239878352 18.998 8 F 0.28929715974173 0.04145102689769 0.70909760121648 18.998 9 F 0.47570408832221 0.25000000000000 0.07812567876305 18.998 10 F 0.97570408832221 0.25000000000000 0.42187432123695 18.998 11 F 0.02429591167780 0.75000000000000 0.57812567876305 18.998 12 F 0.52429591167779 0.75000000000000 0.92187432123695 18.998 13 K 0.04203733543141 0.25000000000000 0.98959204594216 39.098 14 K 0.54203733543141 0.25000000000000 0.51040795405784 39.098 15 K 0.45796266456859 0.75000000000000 0.48959204594216 39.098 16 K 0.95796266456859 0.75000000000000 0.01040795405784 39.098 17 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 18 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 19 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 20 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.407924459999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.669912350000002 0.000000000000000 c 0.000000000000000 0.000000000000000 12.195913539999999 Atomic positions (fractional): 1 F 0.14464857987087 0.45854897310231 0.35454880060824 18.998 > 1 2 F 0.64464857987087 0.45854897310231 0.35454880060824 18.998 > 1 3 F 0.14464857987087 0.45854897310231 0.85454880060824 18.998 > 1 4 F 0.64464857987087 0.45854897310231 0.85454880060824 18.998 > 1 5 F 0.39464857987087 0.04145102689769 0.39545119939176 18.998 > 5 6 F 0.89464857987087 0.04145102689769 0.39545119939176 18.998 > 5 7 F 0.39464857987087 0.04145102689769 0.89545119939176 18.998 > 5 8 F 0.89464857987087 0.04145102689769 0.89545119939176 18.998 > 5 9 F 0.10535142012913 0.54145102689769 0.10454880060824 18.998 > 9 10 F 0.60535142012913 0.54145102689769 0.10454880060824 18.998 > 9 11 F 0.10535142012913 0.54145102689769 0.60454880060824 18.998 > 9 12 F 0.60535142012913 0.54145102689769 0.60454880060824 18.998 > 9 13 F 0.35535142012913 0.95854897310231 0.14545119939176 18.998 > 13 14 F 0.85535142012913 0.95854897310231 0.14545119939176 18.998 > 13 15 F 0.35535142012913 0.95854897310231 0.64545119939176 18.998 > 13 16 F 0.85535142012913 0.95854897310231 0.64545119939176 18.998 > 13 17 F 0.35535142012913 0.54145102689769 0.14545119939176 18.998 > 17 18 F 0.85535142012913 0.54145102689769 0.14545119939176 18.998 > 17 19 F 0.35535142012913 0.54145102689769 0.64545119939176 18.998 > 17 20 F 0.85535142012913 0.54145102689769 0.64545119939176 18.998 > 17 21 F 0.10535142012913 0.95854897310231 0.10454880060824 18.998 > 21 22 F 0.60535142012913 0.95854897310231 0.10454880060824 18.998 > 21 23 F 0.10535142012913 0.95854897310231 0.60454880060824 18.998 > 21 24 F 0.60535142012913 0.95854897310231 0.60454880060824 18.998 > 21 25 F 0.39464857987087 0.45854897310231 0.39545119939176 18.998 > 25 26 F 0.89464857987087 0.45854897310231 0.39545119939176 18.998 > 25 27 F 0.39464857987087 0.45854897310231 0.89545119939176 18.998 > 25 28 F 0.89464857987087 0.45854897310231 0.89545119939176 18.998 > 25 29 F 0.14464857987087 0.04145102689769 0.35454880060824 18.998 > 29 30 F 0.64464857987087 0.04145102689769 0.35454880060824 18.998 > 29 31 F 0.14464857987087 0.04145102689769 0.85454880060824 18.998 > 29 32 F 0.64464857987087 0.04145102689769 0.85454880060824 18.998 > 29 33 F 0.23785204416110 0.25000000000000 0.03906283938152 18.998 > 33 34 F 0.73785204416110 0.25000000000000 0.03906283938152 18.998 > 33 35 F 0.23785204416110 0.25000000000000 0.53906283938152 18.998 > 33 36 F 0.73785204416110 0.25000000000000 0.53906283938152 18.998 > 33 37 F 0.48785204416110 0.25000000000000 0.21093716061848 18.998 > 37 38 F 0.98785204416110 0.25000000000000 0.21093716061848 18.998 > 37 39 F 0.48785204416110 0.25000000000000 0.71093716061848 18.998 > 37 40 F 0.98785204416110 0.25000000000000 0.71093716061848 18.998 > 37 41 F 0.01214795583890 0.75000000000000 0.28906283938152 18.998 > 41 42 F 0.51214795583890 0.75000000000000 0.28906283938152 18.998 > 41 43 F 0.01214795583890 0.75000000000000 0.78906283938152 18.998 > 41 44 F 0.51214795583890 0.75000000000000 0.78906283938152 18.998 > 41 45 F 0.26214795583890 0.75000000000000 0.46093716061848 18.998 > 45 46 F 0.76214795583890 0.75000000000000 0.46093716061848 18.998 > 45 47 F 0.26214795583890 0.75000000000000 0.96093716061848 18.998 > 45 48 F 0.76214795583890 0.75000000000000 0.96093716061848 18.998 > 45 49 K 0.02101866771571 0.25000000000000 0.49479602297108 39.098 > 49 50 K 0.52101866771571 0.25000000000000 0.49479602297108 39.098 > 49 51 K 0.02101866771571 0.25000000000000 0.99479602297108 39.098 > 49 52 K 0.52101866771571 0.25000000000000 0.99479602297108 39.098 > 49 53 K 0.27101866771571 0.25000000000000 0.25520397702892 39.098 > 53 54 K 0.77101866771571 0.25000000000000 0.25520397702892 39.098 > 53 55 K 0.27101866771571 0.25000000000000 0.75520397702892 39.098 > 53 56 K 0.77101866771571 0.25000000000000 0.75520397702892 39.098 > 53 57 K 0.22898133228429 0.75000000000000 0.24479602297108 39.098 > 57 58 K 0.72898133228429 0.75000000000000 0.24479602297108 39.098 > 57 59 K 0.22898133228429 0.75000000000000 0.74479602297108 39.098 > 57 60 K 0.72898133228429 0.75000000000000 0.74479602297108 39.098 > 57 61 K 0.47898133228429 0.75000000000000 0.00520397702892 39.098 > 61 62 K 0.97898133228429 0.75000000000000 0.00520397702892 39.098 > 61 63 K 0.47898133228429 0.75000000000000 0.50520397702892 39.098 > 61 64 K 0.97898133228429 0.75000000000000 0.50520397702892 39.098 > 61 65 Cd 0.00000000000000 0.00000000000000 0.25000000000000 112.411 > 65 66 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 65 67 Cd 0.00000000000000 0.00000000000000 0.75000000000000 112.411 > 65 68 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 65 69 Cd 0.25000000000000 0.50000000000000 0.00000000000000 112.411 > 69 70 Cd 0.75000000000000 0.50000000000000 0.00000000000000 112.411 > 69 71 Cd 0.25000000000000 0.50000000000000 0.50000000000000 112.411 > 69 72 Cd 0.75000000000000 0.50000000000000 0.50000000000000 112.411 > 69 73 Cd 0.25000000000000 0.00000000000000 0.00000000000000 112.411 > 73 74 Cd 0.75000000000000 0.00000000000000 0.00000000000000 112.411 > 73 75 Cd 0.25000000000000 0.00000000000000 0.50000000000000 112.411 > 73 76 Cd 0.75000000000000 0.00000000000000 0.50000000000000 112.411 > 73 77 Cd 0.00000000000000 0.50000000000000 0.25000000000000 112.411 > 77 78 Cd 0.50000000000000 0.50000000000000 0.25000000000000 112.411 > 77 79 Cd 0.00000000000000 0.50000000000000 0.75000000000000 112.411 > 77 80 Cd 0.50000000000000 0.50000000000000 0.75000000000000 112.411 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3866339 0.0000000 0.0000000 0.0000000 2.3830826 0.0000000 0.0000000 0.0000000 2.3832243 -------------------------- Born effective charges -------------------------- 1 F -1.3161775 0.0248950 -0.3932366 0.0270231 -0.9038956 0.0082338 -0.3892013 0.0048591 -1.2824864 2 F -1.3161775 -0.0248950 0.3932366 -0.0270231 -0.9038956 0.0082338 0.3892013 0.0048591 -1.2824864 3 F -1.3161775 0.0248950 0.3932366 0.0270231 -0.9038956 -0.0082338 0.3892013 -0.0048591 -1.2824864 4 F -1.3161775 -0.0248950 -0.3932366 -0.0270231 -0.9038956 -0.0082338 -0.3892013 -0.0048591 -1.2824864 5 F -1.3161775 0.0248950 -0.3932366 0.0270231 -0.9038956 0.0082338 -0.3892013 0.0048591 -1.2824864 6 F -1.3161775 -0.0248950 0.3932366 -0.0270231 -0.9038956 0.0082338 0.3892013 0.0048591 -1.2824864 7 F -1.3161775 0.0248950 0.3932366 0.0270231 -0.9038956 -0.0082338 0.3892013 -0.0048591 -1.2824864 8 F -1.3161775 -0.0248950 -0.3932366 -0.0270231 -0.9038956 -0.0082338 -0.3892013 -0.0048591 -1.2824864 9 F -0.8720192 0.0000000 -0.0395164 0.0000000 -1.6873940 0.0000000 -0.0090255 0.0000000 -0.9353076 10 F -0.8720192 0.0000000 0.0395164 0.0000000 -1.6873940 0.0000000 0.0090255 0.0000000 -0.9353076 11 F -0.8720192 0.0000000 0.0395164 0.0000000 -1.6873940 0.0000000 0.0090255 0.0000000 -0.9353076 12 F -0.8720192 0.0000000 -0.0395164 0.0000000 -1.6873940 0.0000000 -0.0090255 0.0000000 -0.9353076 13 K 1.1795035 0.0000000 0.0477253 0.0000000 1.1737764 0.0000000 0.0402355 0.0000000 1.1904305 14 K 1.1795035 0.0000000 -0.0477253 0.0000000 1.1737764 0.0000000 -0.0402355 0.0000000 1.1904305 15 K 1.1795035 0.0000000 -0.0477253 0.0000000 1.1737764 0.0000000 -0.0402355 0.0000000 1.1904305 16 K 1.1795035 0.0000000 0.0477253 0.0000000 1.1737764 0.0000000 0.0402355 0.0000000 1.1904305 17 Cd 2.3248705 -0.0333203 -0.0586260 -0.0484024 2.3214088 -0.0759072 0.0746609 0.1154380 2.3098499 18 Cd 2.3248705 0.0333203 0.0586260 0.0484024 2.3214088 -0.0759072 -0.0746609 0.1154380 2.3098499 19 Cd 2.3248705 -0.0333203 0.0586260 -0.0484024 2.3214088 0.0759072 -0.0746609 -0.1154380 2.3098499 20 Cd 2.3248705 0.0333203 -0.0586260 0.0484024 2.3214088 0.0759072 0.0746609 -0.1154380 2.3098499 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yxy) -0.00000002 (yxy) -0.00000002 (yyx) 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 ... [ 8 6 8 ] 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: 0.60, Number of G-points: 319, Lambda: 0.10 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 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 1.460 ( 0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.505 ( 0.000 0.000 0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.572 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.851 ( 0.000 0.000 0.000) 0.000 3.941 ( 0.000 0.000 0.000) 0.000 3.961 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.213 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 4.351 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.170 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.793 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 6.079 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.198 ( 0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.256 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.799 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 8.569 ( 0.000 0.000 0.000) 0.000 8.608 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 11.377 ( 0.000 0.000 0.000) 0.000 11.457 ( 0.000 0.000 0.000) 0.000 11.527 ( 0.000 0.000 0.000) 0.000 11.612 ( 0.000 0.000 0.000) 0.000 11.642 ( 0.000 0.000 0.000) 0.000 11.762 ( 0.000 0.000 0.000) 0.000 12.494 ( 0.000 0.000 0.000) 0.000 13.260 ( 0.000 0.000 0.000) 0.000 13.970 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 21.080 0.000 0.000) 21.080 0.510 ( 24.355 0.000 0.000) 24.355 0.898 ( 43.596 0.000 0.000) 43.596 1.562 ( 9.207 0.000 0.000) 9.207 1.815 ( 5.987 0.000 0.000) 5.987 1.913 ( 5.153 0.000 0.000) 5.153 2.239 ( -13.090 0.000 0.000) 13.090 2.266 ( -3.406 0.000 0.000) 3.406 2.285 ( -5.498 0.000 0.000) 5.498 2.554 ( -7.290 0.000 0.000) 7.290 2.630 ( -5.267 0.000 0.000) 5.267 2.691 ( -5.026 0.000 0.000) 5.026 2.697 ( -5.191 0.000 0.000) 5.191 2.799 ( -2.362 0.000 0.000) 2.362 2.893 ( 9.247 0.000 0.000) 9.247 2.979 ( 4.381 0.000 0.000) 4.381 3.069 ( 2.285 0.000 0.000) 2.285 3.096 ( 5.359 0.000 0.000) 5.359 3.242 ( -22.059 0.000 0.000) 22.059 3.585 ( 7.754 0.000 0.000) 7.754 3.686 ( -9.122 0.000 0.000) 9.122 3.736 ( 1.197 0.000 0.000) 1.197 3.768 ( -1.213 0.000 0.000) 1.213 3.853 ( 0.458 0.000 0.000) 0.458 3.917 ( 9.228 0.000 0.000) 9.228 4.089 ( -10.860 0.000 0.000) 10.860 4.226 ( 15.409 0.000 0.000) 15.409 4.250 ( 5.179 0.000 0.000) 5.179 4.350 ( 9.928 0.000 0.000) 9.928 4.491 ( -1.636 0.000 0.000) 1.636 4.560 ( 10.918 0.000 0.000) 10.918 4.777 ( -2.061 0.000 0.000) 2.061 5.085 ( 0.555 0.000 0.000) 0.555 5.184 ( 1.352 0.000 0.000) 1.352 5.324 ( -4.059 0.000 0.000) 4.059 5.335 ( -0.633 0.000 0.000) 0.633 5.713 ( -9.864 0.000 0.000) 9.864 5.941 ( 0.995 0.000 0.000) 0.995 6.016 ( -5.814 0.000 0.000) 5.814 6.052 ( -4.854 0.000 0.000) 4.854 6.106 ( -1.677 0.000 0.000) 1.677 6.188 ( -2.091 0.000 0.000) 2.091 6.189 ( -1.180 0.000 0.000) 1.180 6.302 ( 5.409 0.000 0.000) 5.409 6.464 ( -3.859 0.000 0.000) 3.859 6.804 ( 1.461 0.000 0.000) 1.461 6.871 ( 5.971 0.000 0.000) 5.971 7.801 ( -5.515 0.000 0.000) 5.515 8.726 ( 5.499 0.000 0.000) 5.499 8.736 ( 15.928 0.000 0.000) 15.928 8.788 ( 16.865 0.000 0.000) 16.865 11.093 ( -23.730 0.000 0.000) 23.730 11.446 ( -7.986 0.000 0.000) 7.986 11.532 ( -7.949 0.000 0.000) 7.949 11.645 ( 0.377 0.000 0.000) 0.377 11.748 ( -0.787 0.000 0.000) 0.787 12.733 ( 18.825 0.000 0.000) 18.825 13.260 ( 0.031 0.000 0.000) 0.031 13.332 ( -0.467 0.000 0.000) 0.467 13.958 ( -1.263 0.000 0.000) 1.263 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 20.304 0.000 0.000) 20.304 0.964 ( 20.417 0.000 0.000) 20.417 1.714 ( 34.523 0.000 0.000) 34.523 1.780 ( 10.954 0.000 0.000) 10.954 1.855 ( -2.548 0.000 0.000) 2.548 2.027 ( -6.674 0.000 0.000) 6.674 2.041 ( 6.856 0.000 0.000) 6.856 2.129 ( -9.743 0.000 0.000) 9.743 2.260 ( 3.550 0.000 0.000) 3.550 2.419 ( -3.468 0.000 0.000) 3.468 2.484 ( -8.313 0.000 0.000) 8.313 2.539 ( -9.472 0.000 0.000) 9.472 2.695 ( -6.444 0.000 0.000) 6.444 2.710 ( 6.238 0.000 0.000) 6.238 2.808 ( -19.433 0.000 0.000) 19.433 3.028 ( -5.197 0.000 0.000) 5.197 3.096 ( 4.738 0.000 0.000) 4.738 3.146 ( 7.168 0.000 0.000) 7.168 3.148 ( 4.262 0.000 0.000) 4.262 3.515 ( -0.506 0.000 0.000) 0.506 3.608 ( -3.091 0.000 0.000) 3.091 3.725 ( -1.678 0.000 0.000) 1.678 3.884 ( 1.514 0.000 0.000) 1.514 3.891 ( 8.546 0.000 0.000) 8.546 3.897 ( -7.818 0.000 0.000) 7.818 4.177 ( 9.211 0.000 0.000) 9.211 4.344 ( 6.006 0.000 0.000) 6.006 4.482 ( 4.351 0.000 0.000) 4.351 4.503 ( 4.785 0.000 0.000) 4.785 4.529 ( 11.878 0.000 0.000) 11.878 4.715 ( -4.004 0.000 0.000) 4.004 4.758 ( 8.482 0.000 0.000) 8.482 5.088 ( -0.867 0.000 0.000) 0.867 5.204 ( -7.323 0.000 0.000) 7.323 5.224 ( 2.110 0.000 0.000) 2.110 5.317 ( -1.059 0.000 0.000) 1.059 5.451 ( -13.169 0.000 0.000) 13.169 5.855 ( -9.866 0.000 0.000) 9.866 5.948 ( -4.585 0.000 0.000) 4.585 5.984 ( 2.409 0.000 0.000) 2.409 6.052 ( -3.494 0.000 0.000) 3.494 6.137 ( -2.646 0.000 0.000) 2.646 6.163 ( -1.212 0.000 0.000) 1.212 6.359 ( -6.120 0.000 0.000) 6.120 6.465 ( 10.096 0.000 0.000) 10.096 6.838 ( 1.640 0.000 0.000) 1.640 7.000 ( 6.328 0.000 0.000) 6.328 7.658 ( -8.389 0.000 0.000) 8.389 8.891 ( 10.834 0.000 0.000) 10.834 9.168 ( 25.782 0.000 0.000) 25.782 9.237 ( 26.549 0.000 0.000) 26.549 10.557 ( -27.747 0.000 0.000) 27.747 11.207 ( -15.718 0.000 0.000) 15.718 11.294 ( -15.632 0.000 0.000) 15.632 11.657 ( 0.725 0.000 0.000) 0.725 11.732 ( -0.817 0.000 0.000) 0.817 13.122 ( 18.388 0.000 0.000) 18.388 13.262 ( 0.207 0.000 0.000) 0.207 13.319 ( -0.813 0.000 0.000) 0.813 13.916 ( -2.996 0.000 0.000) 2.996 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 18.861 0.000 0.000) 18.861 1.330 ( 16.290 0.000 0.000) 16.290 1.818 ( 0.730 0.000 0.000) 0.730 1.888 ( -11.019 0.000 0.000) 11.019 1.951 ( 1.120 0.000 0.000) 1.120 1.960 ( -10.113 0.000 0.000) 10.113 2.003 ( 4.357 0.000 0.000) 4.357 2.149 ( 3.152 0.000 0.000) 3.152 2.321 ( 1.340 0.000 0.000) 1.340 2.358 ( -6.567 0.000 0.000) 6.567 2.405 ( 1.282 0.000 0.000) 1.282 2.463 ( -8.088 0.000 0.000) 8.088 2.530 ( -10.216 0.000 0.000) 10.216 2.705 ( 25.053 0.000 0.000) 25.053 2.785 ( -12.777 0.000 0.000) 12.777 2.906 ( 11.544 0.000 0.000) 11.544 3.152 ( 1.179 0.000 0.000) 1.179 3.250 ( 2.586 0.000 0.000) 2.586 3.320 ( 7.570 0.000 0.000) 7.570 3.519 ( -5.079 0.000 0.000) 5.079 3.595 ( 5.356 0.000 0.000) 5.356 3.691 ( -1.467 0.000 0.000) 1.467 3.805 ( 0.044 0.000 0.000) 0.044 3.896 ( -0.036 0.000 0.000) 0.036 4.024 ( 1.209 0.000 0.000) 1.209 4.138 ( -8.878 0.000 0.000) 8.878 4.467 ( 5.633 0.000 0.000) 5.633 4.527 ( -0.858 0.000 0.000) 0.858 4.654 ( -0.753 0.000 0.000) 0.753 4.699 ( 4.720 0.000 0.000) 4.720 4.723 ( 14.097 0.000 0.000) 14.097 4.892 ( 4.491 0.000 0.000) 4.491 5.016 ( -5.563 0.000 0.000) 5.563 5.030 ( -8.797 0.000 0.000) 8.797 5.271 ( 1.895 0.000 0.000) 1.895 5.294 ( -2.097 0.000 0.000) 2.097 5.309 ( 1.106 0.000 0.000) 1.106 5.631 ( -11.970 0.000 0.000) 11.970 5.890 ( -0.972 0.000 0.000) 0.972 5.974 ( -3.958 0.000 0.000) 3.958 6.028 ( 1.993 0.000 0.000) 1.993 6.092 ( -1.695 0.000 0.000) 1.695 6.143 ( -0.608 0.000 0.000) 0.608 6.236 ( -5.574 0.000 0.000) 5.574 6.673 ( 9.522 0.000 0.000) 9.522 6.857 ( -0.102 0.000 0.000) 0.102 7.126 ( 6.548 0.000 0.000) 6.548 7.472 ( -9.769 0.000 0.000) 9.769 9.162 ( 16.112 0.000 0.000) 16.112 9.731 ( 29.135 0.000 0.000) 29.135 9.813 ( 29.624 0.000 0.000) 29.624 10.014 ( -25.607 0.000 0.000) 25.607 10.819 ( -22.580 0.000 0.000) 22.580 10.907 ( -22.533 0.000 0.000) 22.533 11.674 ( 0.952 0.000 0.000) 0.952 11.714 ( -0.971 0.000 0.000) 0.971 13.269 ( 0.522 0.000 0.000) 0.522 13.301 ( -0.942 0.000 0.000) 0.942 13.449 ( 13.933 0.000 0.000) 13.933 13.831 ( -5.607 0.000 0.000) 5.607 ======================= Grid point 4 (5/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -16.286 0.000 0.000) 16.286 1.598 ( 16.286 0.000 0.000) 16.286 1.653 ( -16.407 0.000 0.000) 16.407 1.653 ( 16.407 0.000 0.000) 16.407 1.893 ( -5.674 0.000 0.000) 5.674 1.893 ( 5.674 0.000 0.000) 5.674 2.160 ( -8.390 0.000 0.000) 8.390 2.160 ( 8.390 0.000 0.000) 8.390 2.318 ( -0.875 0.000 0.000) 0.875 2.318 ( 0.875 0.000 0.000) 0.875 2.325 ( -6.967 0.000 0.000) 6.967 2.325 ( 6.967 0.000 0.000) 6.967 2.570 ( -8.997 0.000 0.000) 8.997 2.570 ( 8.997 0.000 0.000) 8.997 3.105 ( -6.681 0.000 0.000) 6.681 3.105 ( 6.681 0.000 0.000) 6.681 3.162 ( -14.115 0.000 0.000) 14.115 3.162 ( 14.115 0.000 0.000) 14.115 3.424 ( -4.147 0.000 0.000) 4.147 3.424 ( 4.147 0.000 0.000) 4.147 3.668 ( -1.488 0.000 0.000) 1.488 3.668 ( 1.488 0.000 0.000) 1.488 3.926 ( -10.423 0.000 0.000) 10.423 3.926 ( 10.423 0.000 0.000) 10.423 3.929 ( -5.117 0.000 0.000) 5.117 3.929 ( 5.117 0.000 0.000) 5.117 4.543 ( -0.863 0.000 0.000) 0.863 4.543 ( 0.863 0.000 0.000) 0.863 4.690 ( -4.476 0.000 0.000) 4.476 4.690 ( 4.476 0.000 0.000) 4.476 4.913 ( -3.569 0.000 0.000) 3.569 4.913 ( 3.569 0.000 0.000) 3.569 4.936 ( -0.971 0.000 0.000) 0.971 4.936 ( 0.971 0.000 0.000) 0.971 5.289 ( -0.097 0.000 0.000) 0.097 5.289 ( 0.097 0.000 0.000) 0.097 5.406 ( -8.980 0.000 0.000) 8.980 5.406 ( 8.980 0.000 0.000) 8.980 5.906 ( -2.413 0.000 0.000) 2.413 5.906 ( 2.413 0.000 0.000) 2.413 6.064 ( -1.420 0.000 0.000) 1.420 6.064 ( 1.420 0.000 0.000) 1.420 6.154 ( -2.211 0.000 0.000) 2.211 6.154 ( 2.211 0.000 0.000) 2.211 6.817 ( -4.376 0.000 0.000) 4.376 6.817 ( 4.376 0.000 0.000) 4.376 7.280 ( -8.873 0.000 0.000) 8.873 7.280 ( 8.873 0.000 0.000) 8.873 9.539 ( -21.261 0.000 0.000) 21.261 9.539 ( 21.261 0.000 0.000) 21.261 10.309 ( -27.537 0.000 0.000) 27.537 10.309 ( 27.537 0.000 0.000) 27.537 10.397 ( -27.688 0.000 0.000) 27.688 10.397 ( 27.688 0.000 0.000) 27.688 11.694 ( -1.033 0.000 0.000) 1.033 11.694 ( 1.033 0.000 0.000) 1.033 13.283 ( -0.822 0.000 0.000) 0.822 13.283 ( 0.822 0.000 0.000) 0.822 13.683 ( -9.317 0.000 0.000) 9.317 13.683 ( 9.317 0.000 0.000) 9.317 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 0.000 19.154 0.000) 19.154 0.417 ( 0.000 21.410 0.000) 21.410 0.867 ( 0.000 43.596 0.000) 43.596 1.421 ( 0.000 -4.362 0.000) 4.362 1.744 ( 0.000 -9.583 0.000) 9.583 1.875 ( 0.000 -1.798 0.000) 1.798 2.157 ( 0.000 -10.927 0.000) 10.927 2.429 ( 0.000 -2.381 0.000) 2.381 2.435 ( 0.000 -3.146 0.000) 3.146 2.540 ( 0.000 7.533 0.000) 7.533 2.624 ( 0.000 7.861 0.000) 7.861 2.705 ( 0.000 1.604 0.000) 1.604 2.797 ( 0.000 0.488 0.000) 0.488 2.921 ( 0.000 -1.680 0.000) 1.680 3.019 ( 0.000 1.545 0.000) 1.545 3.065 ( 0.000 16.161 0.000) 16.161 3.161 ( 0.000 9.269 0.000) 9.269 3.254 ( 0.000 4.820 0.000) 4.820 3.372 ( 0.000 -8.788 0.000) 8.788 3.455 ( 0.000 -3.972 0.000) 3.972 3.550 ( 0.000 -1.631 0.000) 1.631 3.665 ( 0.000 -2.258 0.000) 2.258 3.821 ( 0.000 2.945 0.000) 2.945 3.828 ( 0.000 -10.778 0.000) 10.778 3.870 ( 0.000 -6.570 0.000) 6.570 4.074 ( 0.000 -8.859 0.000) 8.859 4.104 ( 0.000 -3.813 0.000) 3.813 4.289 ( 0.000 -2.576 0.000) 2.576 4.352 ( 0.000 9.149 0.000) 9.149 4.445 ( 0.000 6.957 0.000) 6.957 4.778 ( 0.000 -2.236 0.000) 2.236 4.856 ( 0.000 -5.589 0.000) 5.589 5.094 ( 0.000 2.869 0.000) 2.869 5.132 ( 0.000 5.750 0.000) 5.750 5.227 ( 0.000 5.927 0.000) 5.927 5.349 ( 0.000 -0.869 0.000) 0.869 5.429 ( 0.000 6.174 0.000) 6.174 5.773 ( 0.000 -1.671 0.000) 1.671 5.929 ( 0.000 -2.468 0.000) 2.468 6.088 ( 0.000 0.846 0.000) 0.846 6.091 ( 0.000 -11.021 0.000) 11.021 6.131 ( 0.000 0.246 0.000) 0.246 6.197 ( 0.000 -1.238 0.000) 1.238 6.272 ( 0.000 3.578 0.000) 3.578 6.505 ( 0.000 -5.083 0.000) 5.083 6.764 ( 0.000 -3.569 0.000) 3.569 7.361 ( 0.000 0.557 0.000) 0.557 7.639 ( 0.000 -5.369 0.000) 5.369 8.571 ( 0.000 0.272 0.000) 0.272 8.605 ( 0.000 -0.261 0.000) 0.261 8.883 ( 0.000 20.856 0.000) 20.856 11.378 ( 0.000 -24.874 0.000) 24.874 11.402 ( 0.000 0.386 0.000) 0.386 11.453 ( 0.000 -0.426 0.000) 0.426 11.531 ( 0.000 0.452 0.000) 0.452 11.605 ( 0.000 -0.736 0.000) 0.736 12.577 ( 0.000 8.302 0.000) 8.302 13.398 ( 0.000 12.076 0.000) 12.076 13.451 ( 0.000 -5.837 0.000) 5.837 13.962 ( 0.000 -0.993 0.000) 0.993 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 18.728 10.342 0.000) 21.394 0.641 ( 14.889 16.077 0.000) 21.913 1.212 ( 30.482 28.455 0.000) 41.700 1.512 ( 8.193 -5.235 0.000) 9.723 1.783 ( 2.683 -6.332 0.000) 6.877 1.874 ( 3.647 -2.732 0.000) 4.557 2.127 ( -2.677 -10.606 0.000) 10.939 2.200 ( -12.696 -1.216 0.000) 12.754 2.425 ( -6.856 9.217 0.000) 11.488 2.536 ( -8.837 1.872 0.000) 9.033 2.592 ( 1.454 -6.381 0.000) 6.545 2.704 ( 2.351 6.843 0.000) 7.236 2.755 ( -1.432 -2.215 0.000) 2.638 2.941 ( -0.597 5.140 0.000) 5.175 2.972 ( -15.508 12.638 0.000) 20.006 3.015 ( 2.725 -0.684 0.000) 2.809 3.109 ( -21.860 -8.081 0.000) 23.305 3.158 ( 0.829 7.167 0.000) 7.214 3.202 ( 7.539 12.371 0.000) 14.487 3.571 ( 5.726 -4.503 0.000) 7.285 3.617 ( -8.396 -5.533 0.000) 10.055 3.681 ( 10.832 -2.523 0.000) 11.121 3.731 ( -3.301 -0.285 0.000) 3.313 3.740 ( 3.965 -2.049 0.000) 4.463 4.062 ( 9.780 -3.977 0.000) 10.558 4.135 ( 4.178 -7.787 0.000) 8.837 4.147 ( -9.091 3.012 0.000) 9.577 4.283 ( 11.749 -6.382 0.000) 13.370 4.358 ( 6.439 15.167 0.000) 16.477 4.528 ( 4.767 -2.181 0.000) 5.243 4.656 ( -4.156 11.224 0.000) 11.969 4.778 ( 0.030 -0.972 0.000) 0.972 5.126 ( -0.486 4.417 0.000) 4.444 5.210 ( 0.790 2.491 0.000) 2.614 5.307 ( -4.115 -1.203 0.000) 4.287 5.374 ( 0.589 1.502 0.000) 1.613 5.646 ( 14.037 -17.306 0.000) 22.283 5.694 ( -9.623 -1.866 0.000) 9.802 5.909 ( 1.034 -3.283 0.000) 3.442 6.018 ( -5.491 -0.106 0.000) 5.492 6.095 ( -3.142 -0.800 0.000) 3.242 6.137 ( 1.571 -6.989 0.000) 7.163 6.190 ( -0.952 -1.255 0.000) 1.576 6.309 ( 4.564 3.704 0.000) 5.878 6.462 ( -4.136 -4.381 0.000) 6.025 6.833 ( 5.773 -3.854 0.000) 6.941 7.072 ( -13.120 13.972 0.000) 19.167 7.692 ( -1.934 -8.902 0.000) 9.110 8.739 ( 15.978 0.341 0.000) 15.981 8.784 ( 16.803 -0.381 0.000) 16.807 8.932 ( 4.833 20.229 0.000) 20.799 11.119 ( -22.749 2.448 0.000) 22.881 11.382 ( 0.212 -24.251 0.000) 24.252 11.452 ( -7.619 0.046 0.000) 7.619 11.500 ( 1.463 -13.101 0.000) 13.182 11.525 ( -7.940 -0.733 0.000) 7.974 12.800 ( 17.776 6.714 0.000) 19.002 13.397 ( -0.049 12.001 0.000) 12.001 13.442 ( -0.568 2.459 0.000) 2.524 13.950 ( -1.163 -0.895 0.000) 1.468 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 15.325 9.765 0.000) 18.172 0.997 ( 17.313 3.516 0.000) 17.666 1.700 ( 9.180 -7.789 0.000) 12.039 1.788 ( -0.854 -4.490 0.000) 4.570 1.896 ( 31.346 15.021 0.000) 34.759 1.977 ( -8.337 -1.097 0.000) 8.408 2.014 ( 8.134 -3.867 0.000) 9.006 2.083 ( -0.961 -10.969 0.000) 11.011 2.244 ( -10.503 6.630 0.000) 12.420 2.399 ( -4.766 -1.463 0.000) 4.986 2.499 ( -8.976 -2.643 0.000) 9.357 2.649 ( -9.233 -0.224 0.000) 9.236 2.700 ( -13.383 4.123 0.000) 14.004 2.749 ( -1.551 -0.134 0.000) 1.556 2.850 ( 3.173 11.630 0.000) 12.055 2.963 ( 3.701 1.312 0.000) 3.927 3.039 ( -10.689 -1.382 0.000) 10.778 3.098 ( 5.069 -3.463 0.000) 6.140 3.369 ( 6.897 14.453 0.000) 16.014 3.544 ( -5.737 -3.270 0.000) 6.603 3.582 ( 5.012 5.752 0.000) 7.629 3.731 ( 3.709 -8.950 0.000) 9.688 3.852 ( 2.637 0.524 0.000) 2.689 3.883 ( 8.669 -0.523 0.000) 8.684 3.962 ( -7.809 5.843 0.000) 9.753 4.217 ( 2.484 0.602 0.000) 2.556 4.302 ( 14.331 -1.447 0.000) 14.404 4.472 ( 5.539 -3.310 0.000) 6.453 4.529 ( 4.649 6.048 0.000) 7.628 4.592 ( 1.055 -8.346 0.000) 8.413 4.630 ( 4.473 9.589 0.000) 10.581 4.784 ( 1.029 -1.405 0.000) 1.741 5.113 ( -1.135 2.616 0.000) 2.852 5.181 ( -7.436 -2.477 0.000) 7.838 5.239 ( 1.375 1.835 0.000) 2.293 5.365 ( -0.789 3.819 0.000) 3.900 5.451 ( -11.660 -0.187 0.000) 11.661 5.779 ( 2.151 -11.984 0.000) 12.175 5.865 ( -8.971 0.930 0.000) 9.019 5.956 ( 1.999 -2.767 0.000) 3.414 6.022 ( -3.858 -2.348 0.000) 4.516 6.142 ( -0.621 -4.025 0.000) 4.073 6.149 ( -2.971 -0.670 0.000) 3.046 6.351 ( -6.435 -3.135 0.000) 7.158 6.458 ( 9.450 1.484 0.000) 9.566 6.919 ( -3.667 7.712 0.000) 8.539 6.960 ( 6.413 -3.979 0.000) 7.547 7.589 ( -7.250 -6.582 0.000) 9.793 9.077 ( 9.613 18.442 0.000) 20.798 9.172 ( 25.820 0.442 0.000) 25.824 9.232 ( 26.484 -0.510 0.000) 26.489 10.608 ( -26.276 5.074 0.000) 26.761 11.209 ( -15.602 -0.031 0.000) 15.602 11.287 ( -15.615 -0.721 0.000) 15.631 11.403 ( 0.983 -23.550 0.000) 23.570 11.506 ( -0.555 -18.257 0.000) 18.266 13.169 ( 17.463 4.721 0.000) 18.090 13.397 ( 0.036 11.752 0.000) 11.752 13.430 ( -0.567 7.310 0.000) 7.332 13.912 ( -2.754 -0.558 0.000) 2.810 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 14.547 1.739 0.000) 14.650 1.293 ( 12.169 -2.964 0.000) 12.525 1.763 ( -1.589 -4.329 0.000) 4.611 1.834 ( 0.489 -7.275 0.000) 7.291 1.864 ( -2.884 -3.681 0.000) 4.677 1.926 ( -8.523 -6.468 0.000) 10.700 2.051 ( -5.522 1.172 0.000) 5.645 2.150 ( -0.327 3.471 0.000) 3.486 2.227 ( 1.008 -14.287 0.000) 14.323 2.315 ( -7.305 0.277 0.000) 7.310 2.443 ( -1.895 6.658 0.000) 6.923 2.594 ( 4.082 12.231 0.000) 12.894 2.658 ( 19.152 0.390 0.000) 19.156 2.685 ( -4.437 1.791 0.000) 4.785 2.785 ( -12.587 9.631 0.000) 15.849 3.024 ( 13.204 9.690 0.000) 16.378 3.037 ( 1.705 -4.023 0.000) 4.369 3.241 ( 8.141 -7.059 0.000) 10.775 3.442 ( -0.576 10.537 0.000) 10.553 3.444 ( -3.855 -4.969 0.000) 6.288 3.704 ( 4.818 10.957 0.000) 11.970 3.754 ( -1.111 -11.148 0.000) 11.203 3.873 ( 0.098 11.258 0.000) 11.258 3.878 ( 0.806 6.565 0.000) 6.615 4.027 ( 2.299 0.685 0.000) 2.399 4.199 ( -4.609 3.038 0.000) 5.520 4.495 ( -0.486 -3.370 0.000) 3.405 4.505 ( 3.001 4.266 0.000) 5.216 4.580 ( -0.926 -7.028 0.000) 7.089 4.581 ( 5.051 -5.983 0.000) 7.830 4.816 ( 10.103 5.645 0.000) 11.574 4.828 ( 2.419 -4.960 0.000) 5.519 5.007 ( -8.756 -2.599 0.000) 9.133 5.064 ( -3.256 3.226 0.000) 4.583 5.279 ( 2.082 0.930 0.000) 2.280 5.312 ( -2.105 1.666 0.000) 2.684 5.363 ( 1.267 4.683 0.000) 4.851 5.660 ( -10.899 2.869 0.000) 11.270 5.809 ( 1.669 -6.852 0.000) 7.052 5.932 ( -3.964 -3.382 0.000) 5.211 6.000 ( 1.538 -3.080 0.000) 3.443 6.086 ( -2.968 -1.356 0.000) 3.263 6.129 ( -0.323 -2.900 0.000) 2.918 6.225 ( -5.542 -2.645 0.000) 6.141 6.654 ( 9.118 -0.253 0.000) 9.121 6.869 ( -2.239 2.250 0.000) 3.174 7.090 ( 6.717 -3.668 0.000) 7.653 7.422 ( -8.992 -4.964 0.000) 10.271 9.320 ( 14.463 15.675 0.000) 21.328 9.736 ( 29.138 0.484 0.000) 29.142 9.806 ( 29.316 -0.689 0.000) 29.325 10.100 ( -23.535 8.546 0.000) 25.038 10.822 ( -22.531 0.340 0.000) 22.534 10.901 ( -22.511 -0.683 0.000) 22.522 11.428 ( 1.398 -22.950 0.000) 22.993 11.486 ( -1.277 -20.338 0.000) 20.378 13.400 ( 0.253 11.273 0.000) 11.276 13.418 ( -0.492 9.253 0.000) 9.266 13.479 ( 12.989 2.928 0.000) 13.315 13.834 ( -5.166 0.132 0.000) 5.168 ======================= Grid point 13 (10/100) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -0.294 -8.742 0.000) 8.747 1.469 ( 0.294 -8.742 0.000) 8.747 1.676 ( -1.991 0.938 0.000) 2.201 1.676 ( 1.991 0.938 0.000) 2.201 1.872 ( -1.419 -4.518 0.000) 4.736 1.872 ( 1.419 -4.518 0.000) 4.736 2.072 ( -4.721 -8.275 0.000) 9.527 2.072 ( 4.721 -8.275 0.000) 9.527 2.244 ( -0.426 0.559 0.000) 0.703 2.244 ( 0.426 0.559 0.000) 0.703 2.530 ( -9.286 3.687 0.000) 9.991 2.530 ( 9.286 3.687 0.000) 9.991 2.625 ( -3.324 14.491 0.000) 14.867 2.625 ( 3.324 14.491 0.000) 14.867 2.990 ( -8.000 -3.700 0.000) 8.814 2.990 ( 8.000 -3.700 0.000) 8.814 3.306 ( -9.410 7.127 0.000) 11.804 3.306 ( 9.410 7.127 0.000) 11.804 3.388 ( -1.566 -5.097 0.000) 5.333 3.388 ( 1.566 -5.097 0.000) 5.333 3.749 ( -0.902 2.684 0.000) 2.832 3.749 ( 0.902 2.684 0.000) 2.832 3.869 ( -1.311 6.805 0.000) 6.930 3.869 ( 1.311 6.805 0.000) 6.930 4.068 ( -6.419 6.108 0.000) 8.861 4.068 ( 6.419 6.108 0.000) 8.861 4.542 ( -0.677 -0.667 0.000) 0.950 4.542 ( 0.677 -0.667 0.000) 0.950 4.587 ( -4.346 -7.748 0.000) 8.884 4.587 ( 4.346 -7.748 0.000) 8.884 4.866 ( -2.434 -3.213 0.000) 4.031 4.866 ( 2.434 -3.213 0.000) 4.031 4.993 ( -4.810 3.147 0.000) 5.748 4.993 ( 4.810 3.147 0.000) 5.748 5.302 ( -0.176 1.543 0.000) 1.553 5.302 ( 0.176 1.543 0.000) 1.553 5.456 ( -8.280 4.512 0.000) 9.430 5.456 ( 8.280 4.512 0.000) 9.430 5.858 ( -3.179 -4.315 0.000) 5.360 5.858 ( 3.179 -4.315 0.000) 5.360 6.036 ( -2.042 -2.930 0.000) 3.572 6.036 ( 2.042 -2.930 0.000) 3.572 6.145 ( -2.225 -2.456 0.000) 3.314 6.145 ( 2.225 -2.456 0.000) 3.314 6.800 ( -5.122 -0.272 0.000) 5.129 6.800 ( 5.122 -0.272 0.000) 5.129 7.242 ( -8.464 -3.821 0.000) 9.287 7.242 ( 8.464 -3.821 0.000) 9.287 9.661 ( -19.343 12.144 0.000) 22.839 9.661 ( 19.343 12.144 0.000) 22.839 10.314 ( -27.506 0.450 0.000) 27.509 10.314 ( 27.506 0.450 0.000) 27.509 10.391 ( -27.620 -0.601 0.000) 27.627 10.391 ( 27.620 -0.601 0.000) 27.627 11.458 ( -1.499 -21.800 0.000) 21.852 11.458 ( 1.499 -21.800 0.000) 21.852 13.407 ( -0.475 10.494 0.000) 10.505 13.407 ( 0.475 10.494 0.000) 10.505 13.697 ( -8.647 1.279 0.000) 8.741 13.697 ( 8.647 1.279 0.000) 8.741 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.000 17.680 0.000) 17.680 0.818 ( 0.000 20.157 0.000) 20.157 1.284 ( 0.000 -9.945 0.000) 9.945 1.494 ( 0.000 -10.719 0.000) 10.719 1.607 ( 0.000 20.424 0.000) 20.424 1.922 ( 0.000 15.061 0.000) 15.061 1.949 ( 0.000 -10.024 0.000) 10.024 2.321 ( 0.000 -3.987 0.000) 3.987 2.363 ( 0.000 -4.040 0.000) 4.040 2.706 ( 0.000 4.077 0.000) 4.077 2.745 ( 0.000 4.095 0.000) 4.095 2.747 ( 0.000 2.366 0.000) 2.366 2.869 ( 0.000 -3.785 0.000) 3.785 2.988 ( 0.000 17.829 0.000) 17.829 3.037 ( 0.000 -24.039 0.000) 24.039 3.084 ( 0.000 5.340 0.000) 5.340 3.335 ( 0.000 8.695 0.000) 8.695 3.353 ( 0.000 5.062 0.000) 5.062 3.410 ( 0.000 17.675 0.000) 17.675 3.453 ( 0.000 2.490 0.000) 2.490 3.511 ( 0.000 -2.342 0.000) 2.342 3.595 ( 0.000 -5.249 0.000) 5.249 3.635 ( 0.000 -6.407 0.000) 6.407 3.719 ( 0.000 -8.633 0.000) 8.633 3.864 ( 0.000 -12.458 0.000) 12.458 3.889 ( 0.000 3.872 0.000) 3.872 4.034 ( 0.000 -3.580 0.000) 3.580 4.155 ( 0.000 -12.069 0.000) 12.069 4.524 ( 0.000 8.000 0.000) 8.000 4.560 ( 0.000 4.762 0.000) 4.762 4.712 ( 0.000 -4.131 0.000) 4.131 4.750 ( 0.000 -5.188 0.000) 5.188 5.166 ( 0.000 4.372 0.000) 4.372 5.295 ( 0.000 10.884 0.000) 10.884 5.316 ( 0.000 -2.574 0.000) 2.574 5.385 ( 0.000 9.650 0.000) 9.650 5.538 ( 0.000 3.974 0.000) 3.974 5.742 ( 0.000 -2.955 0.000) 2.955 5.842 ( 0.000 -11.465 0.000) 11.465 5.869 ( 0.000 -3.492 0.000) 3.492 6.106 ( 0.000 0.897 0.000) 0.897 6.132 ( 0.000 -0.332 0.000) 0.332 6.175 ( 0.000 -0.455 0.000) 0.455 6.365 ( 0.000 -8.855 0.000) 8.855 6.380 ( 0.000 7.148 0.000) 7.148 6.667 ( 0.000 -6.387 0.000) 6.387 7.380 ( 0.000 1.590 0.000) 1.590 7.522 ( 0.000 -5.980 0.000) 5.980 8.579 ( 0.000 0.467 0.000) 0.467 8.598 ( 0.000 -0.456 0.000) 0.456 9.410 ( 0.000 32.465 0.000) 32.465 10.784 ( 0.000 -34.996 0.000) 34.996 11.412 ( 0.000 0.677 0.000) 0.677 11.441 ( 0.000 -0.712 0.000) 0.712 11.544 ( 0.000 0.868 0.000) 0.868 11.586 ( 0.000 -1.146 0.000) 1.146 12.789 ( 0.000 13.071 0.000) 13.071 13.289 ( 0.000 -10.715 0.000) 10.715 13.639 ( 0.000 11.687 0.000) 11.687 13.923 ( 0.000 -3.313 0.000) 3.313 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 11.317 13.860 0.000) 17.893 0.967 ( 11.474 17.375 0.000) 20.822 1.361 ( 6.785 -10.304 0.000) 12.337 1.583 ( 6.466 -13.160 0.000) 14.663 1.705 ( 9.352 9.737 0.000) 13.501 1.924 ( -1.059 -8.264 0.000) 8.332 1.959 ( 4.736 20.927 0.000) 21.456 2.202 ( -8.775 1.549 0.000) 8.911 2.395 ( -0.808 -7.482 0.000) 7.526 2.603 ( -9.485 3.632 0.000) 10.157 2.670 ( -5.511 8.490 0.000) 10.122 2.757 ( -4.985 -2.534 0.000) 5.592 2.767 ( -6.419 3.965 0.000) 7.544 2.915 ( 1.609 -4.534 0.000) 4.811 2.957 ( -6.097 -7.242 0.000) 9.467 3.053 ( -10.730 -2.173 0.000) 10.948 3.141 ( -7.247 4.269 0.000) 8.411 3.361 ( -0.653 15.470 0.000) 15.484 3.401 ( -1.559 -9.561 0.000) 9.687 3.471 ( 8.720 13.557 0.000) 16.119 3.573 ( 2.540 3.140 0.000) 4.039 3.692 ( 6.682 -2.653 0.000) 7.189 3.710 ( 1.882 3.113 0.000) 3.638 3.763 ( -5.022 2.950 0.000) 5.825 3.948 ( 11.044 -6.184 0.000) 12.658 3.996 ( 8.929 -5.856 0.000) 10.678 4.070 ( 9.072 -10.153 0.000) 13.616 4.156 ( 4.199 -8.779 0.000) 9.731 4.525 ( -3.072 2.630 0.000) 4.044 4.623 ( 8.275 11.501 0.000) 14.169 4.716 ( -0.202 -5.142 0.000) 5.146 4.813 ( 1.653 3.910 0.000) 4.245 5.217 ( 2.325 -2.414 0.000) 3.352 5.253 ( -3.423 8.510 0.000) 9.173 5.271 ( -3.451 -2.958 0.000) 4.545 5.394 ( 0.968 5.736 0.000) 5.817 5.553 ( 1.554 1.154 0.000) 1.936 5.623 ( -10.108 -6.751 0.000) 12.155 5.837 ( 2.598 -2.296 0.000) 3.467 5.954 ( 2.833 -6.101 0.000) 6.726 6.056 ( -4.093 -0.097 0.000) 4.094 6.080 ( -4.453 -0.769 0.000) 4.519 6.163 ( -1.273 -0.926 0.000) 1.574 6.328 ( -3.597 -8.577 0.000) 9.300 6.427 ( 4.470 7.653 0.000) 8.863 6.729 ( 5.379 -6.732 0.000) 8.617 7.256 ( -8.966 6.822 0.000) 11.266 7.519 ( -2.037 -8.418 0.000) 8.661 8.749 ( 16.129 0.592 0.000) 16.140 8.774 ( 16.602 -0.618 0.000) 16.613 9.445 ( 3.472 31.718 0.000) 31.907 10.796 ( 1.112 -34.567 0.000) 34.585 11.177 ( -19.612 3.396 0.000) 19.904 11.334 ( -8.437 -5.651 0.000) 10.154 11.464 ( -7.911 0.864 0.000) 7.958 11.506 ( -7.931 -1.140 0.000) 8.012 12.975 ( 15.105 10.901 0.000) 18.628 13.381 ( 6.806 -7.442 0.000) 10.084 13.637 ( -0.255 11.556 0.000) 11.559 13.914 ( -0.899 -3.153 0.000) 3.279 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 11.098 7.686 0.000) 13.500 1.187 ( 9.546 14.324 0.000) 17.214 1.509 ( 6.840 -11.392 0.000) 13.287 1.672 ( 2.529 -7.269 0.000) 7.696 1.864 ( -3.896 -8.352 0.000) 9.216 1.883 ( 5.466 -9.000 0.000) 10.530 2.008 ( -9.176 4.116 0.000) 10.057 2.231 ( 18.099 12.076 0.000) 21.757 2.263 ( -11.854 -5.481 0.000) 13.060 2.379 ( -12.513 -1.445 0.000) 12.596 2.517 ( -7.213 5.805 0.000) 9.259 2.618 ( 0.046 9.163 0.000) 9.163 2.751 ( 0.875 2.640 0.000) 2.781 2.838 ( -6.156 -9.047 0.000) 10.943 2.914 ( -1.490 9.420 0.000) 9.537 2.976 ( 3.431 -6.577 0.000) 7.418 3.073 ( 1.849 9.910 0.000) 10.081 3.313 ( -3.421 18.089 0.000) 18.410 3.441 ( 0.920 -12.681 0.000) 12.714 3.538 ( -6.437 -3.997 0.000) 7.577 3.608 ( 2.660 7.902 0.000) 8.338 3.701 ( 9.406 6.345 0.000) 11.346 3.757 ( 1.547 -9.617 0.000) 9.740 3.876 ( 9.809 -0.048 0.000) 9.809 4.090 ( 0.432 6.640 0.000) 6.654 4.216 ( 11.574 0.680 0.000) 11.594 4.271 ( 13.927 -1.845 0.000) 14.048 4.374 ( 9.097 -6.640 0.000) 11.263 4.455 ( -3.370 -4.094 0.000) 5.303 4.684 ( -2.572 -8.627 0.000) 9.003 4.740 ( -2.210 12.179 0.000) 12.378 4.833 ( 5.829 10.736 0.000) 12.216 5.121 ( -8.464 -3.081 0.000) 9.007 5.187 ( -2.803 5.092 0.000) 5.812 5.271 ( 0.837 -0.389 0.000) 0.923 5.420 ( 1.331 1.991 0.000) 2.395 5.420 ( -8.450 -3.857 0.000) 9.288 5.595 ( 2.479 -6.076 0.000) 6.562 5.877 ( -1.477 -0.168 0.000) 1.486 5.912 ( -3.840 -0.238 0.000) 3.847 5.978 ( -5.294 -2.107 0.000) 5.698 6.022 ( 0.288 -6.549 0.000) 6.556 6.119 ( -3.159 -1.762 0.000) 3.617 6.230 ( -5.754 -7.930 0.000) 9.798 6.551 ( 7.506 7.253 0.000) 10.438 6.854 ( 6.588 -6.873 0.000) 9.521 7.089 ( -7.066 9.228 0.000) 11.623 7.435 ( -5.904 -8.820 0.000) 10.614 9.184 ( 25.934 0.784 0.000) 25.946 9.219 ( 26.316 -0.849 0.000) 26.330 9.550 ( 6.981 29.484 0.000) 30.300 10.740 ( -22.039 8.388 0.000) 23.581 10.828 ( 1.999 -33.130 0.000) 33.190 11.174 ( -6.908 -15.099 0.000) 16.604 11.228 ( -15.401 0.717 0.000) 15.418 11.268 ( -15.596 -1.119 0.000) 15.636 13.289 ( 14.757 7.305 0.000) 16.466 13.499 ( 4.489 -0.594 0.000) 4.529 13.629 ( -0.468 11.088 0.000) 11.098 13.885 ( -2.105 -2.588 0.000) 3.336 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 5.358 1.745 0.000) 5.635 1.338 ( 5.042 7.617 0.000) 9.135 1.615 ( 3.750 -13.162 0.000) 13.686 1.687 ( -2.032 -3.029 0.000) 3.648 1.776 ( -4.012 -7.662 0.000) 8.648 1.860 ( -6.628 1.894 0.000) 6.893 1.886 ( -2.376 -17.275 0.000) 17.437 2.010 ( -10.131 -4.395 0.000) 11.043 2.261 ( 2.090 6.201 0.000) 6.544 2.399 ( -4.238 7.380 0.000) 8.510 2.470 ( 5.666 -3.888 0.000) 6.871 2.678 ( -5.425 -1.860 0.000) 5.735 2.807 ( 8.855 14.278 0.000) 16.801 2.837 ( 1.124 -1.406 0.000) 1.800 2.909 ( 5.904 17.340 0.000) 18.318 3.071 ( 5.955 -7.980 0.000) 9.957 3.210 ( 10.046 5.541 0.000) 11.473 3.235 ( -4.079 17.177 0.000) 17.655 3.358 ( -3.806 -0.354 0.000) 3.823 3.525 ( 2.171 -12.148 0.000) 12.341 3.571 ( -5.275 2.788 0.000) 5.967 3.868 ( 8.372 -12.025 0.000) 14.652 3.919 ( 11.399 7.328 0.000) 13.551 3.984 ( -3.311 2.325 0.000) 4.046 4.126 ( 1.730 11.991 0.000) 12.115 4.314 ( -1.968 8.626 0.000) 8.848 4.388 ( -2.849 -6.887 0.000) 7.453 4.450 ( 3.266 -4.630 0.000) 5.666 4.499 ( 6.134 -2.682 0.000) 6.695 4.636 ( -4.933 8.124 0.000) 9.505 4.705 ( 4.346 -8.373 0.000) 9.434 4.926 ( -9.424 -5.485 0.000) 10.904 4.976 ( 5.906 11.456 0.000) 12.889 5.132 ( -2.808 4.347 0.000) 5.175 5.300 ( 2.058 0.421 0.000) 2.101 5.325 ( -1.295 -1.560 0.000) 2.027 5.451 ( 2.357 3.774 0.000) 4.450 5.658 ( 3.965 -8.681 0.000) 9.543 5.729 ( -9.007 3.927 0.000) 9.826 5.867 ( -5.438 -3.462 0.000) 6.447 5.920 ( 1.105 -3.836 0.000) 3.992 6.025 ( 0.206 -6.442 0.000) 6.445 6.041 ( -4.320 -2.695 0.000) 5.092 6.116 ( -4.932 -7.053 0.000) 8.606 6.711 ( 7.865 5.922 0.000) 9.846 6.968 ( -5.414 7.616 0.000) 9.344 6.990 ( 7.013 -6.509 0.000) 9.569 7.296 ( -7.591 -7.798 0.000) 10.882 9.727 ( 10.651 25.751 0.000) 27.866 9.749 ( 29.144 0.873 0.000) 29.157 9.789 ( 29.189 -1.028 0.000) 29.207 10.326 ( -18.623 14.596 0.000) 23.662 10.810 ( -15.993 -8.076 0.000) 17.917 10.883 ( -22.399 -1.142 0.000) 22.429 10.915 ( -3.345 -22.019 0.000) 22.271 11.055 ( -5.091 -22.628 0.000) 23.194 13.545 ( 10.208 3.781 0.000) 10.885 13.566 ( 2.691 4.687 0.000) 5.404 13.618 ( -0.718 10.067 0.000) 10.093 13.825 ( -3.950 -1.401 0.000) 4.191 ======================= Grid point 22 (15/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -3.185 -1.672 0.000) 3.597 1.355 ( 3.185 -1.672 0.000) 3.597 1.659 ( -0.232 -10.377 0.000) 10.379 1.659 ( 0.232 -10.377 0.000) 10.379 1.729 ( -2.502 -0.779 0.000) 2.621 1.729 ( 2.502 -0.779 0.000) 2.621 1.904 ( -2.543 -7.261 0.000) 7.694 1.904 ( 2.543 -7.261 0.000) 7.694 2.333 ( -3.282 7.208 0.000) 7.920 2.333 ( 3.282 7.208 0.000) 7.920 2.569 ( -5.061 -1.015 0.000) 5.162 2.569 ( 5.061 -1.015 0.000) 5.162 2.836 ( -0.390 6.212 0.000) 6.224 2.836 ( 0.390 6.212 0.000) 6.224 3.109 ( -6.709 13.595 0.000) 15.160 3.109 ( 6.709 13.595 0.000) 15.160 3.217 ( -4.871 -7.630 0.000) 9.053 3.217 ( 4.871 -7.630 0.000) 9.053 3.448 ( -6.441 4.629 0.000) 7.932 3.448 ( 6.441 4.629 0.000) 7.932 3.721 ( -16.987 -0.928 0.000) 17.012 3.721 ( 16.987 -0.928 0.000) 17.012 4.042 ( -7.794 -5.840 0.000) 9.739 4.042 ( 7.794 -5.840 0.000) 9.739 4.165 ( -10.886 12.802 0.000) 16.804 4.165 ( 10.886 12.802 0.000) 16.804 4.460 ( -6.561 -2.706 0.000) 7.097 4.460 ( 6.561 -2.706 0.000) 7.097 4.563 ( -5.711 2.179 0.000) 6.112 4.563 ( 5.711 2.179 0.000) 6.112 4.782 ( -3.852 -5.550 0.000) 6.756 4.782 ( 3.852 -5.550 0.000) 6.756 5.072 ( -3.479 6.139 0.000) 7.056 5.072 ( 3.479 6.139 0.000) 7.056 5.324 ( -0.065 -0.613 0.000) 0.616 5.324 ( 0.065 -0.613 0.000) 0.616 5.552 ( -7.759 4.886 0.000) 9.169 5.552 ( 7.759 4.886 0.000) 9.169 5.755 ( -5.440 -6.420 0.000) 8.415 5.755 ( 5.440 -6.420 0.000) 8.415 5.962 ( -3.137 -3.760 0.000) 4.897 5.962 ( 3.137 -3.760 0.000) 4.897 6.045 ( -2.092 -6.367 0.000) 6.702 6.045 ( 2.092 -6.367 0.000) 6.702 6.854 ( -6.206 5.858 0.000) 8.534 6.854 ( 6.206 5.858 0.000) 8.534 7.139 ( -7.740 -6.691 0.000) 10.231 7.139 ( 7.740 -6.691 0.000) 10.231 9.980 ( -14.267 20.311 0.000) 24.821 9.980 ( 14.267 20.311 0.000) 24.821 10.326 ( -27.305 0.719 0.000) 27.314 10.326 ( 27.305 0.719 0.000) 27.314 10.377 ( -27.158 -0.702 0.000) 27.167 10.377 ( 27.158 -0.702 0.000) 27.167 10.965 ( -3.913 -27.490 0.000) 27.767 10.965 ( 3.913 -27.490 0.000) 27.767 13.599 ( -1.223 8.147 0.000) 8.238 13.599 ( 1.223 8.147 0.000) 8.238 13.719 ( -6.740 0.651 0.000) 6.772 13.719 ( 6.740 0.651 0.000) 6.772 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.000 -14.721 0.000) 14.721 1.044 ( 0.000 14.721 0.000) 14.721 1.186 ( 0.000 -17.996 0.000) 17.996 1.186 ( 0.000 17.996 0.000) 17.996 1.790 ( 0.000 -6.386 0.000) 6.386 1.790 ( 0.000 6.386 0.000) 6.386 2.301 ( 0.000 -1.666 0.000) 1.666 2.301 ( 0.000 1.666 0.000) 1.666 2.485 ( 0.000 -32.410 0.000) 32.410 2.485 ( 0.000 32.410 0.000) 32.410 2.778 ( 0.000 -0.385 0.000) 0.385 2.778 ( 0.000 0.385 0.000) 0.385 2.785 ( 0.000 -4.543 0.000) 4.543 2.785 ( 0.000 4.543 0.000) 4.543 3.183 ( 0.000 -1.658 0.000) 1.658 3.183 ( 0.000 1.658 0.000) 1.658 3.440 ( 0.000 -3.799 0.000) 3.799 3.440 ( 0.000 3.799 0.000) 3.799 3.463 ( 0.000 -7.511 0.000) 7.511 3.463 ( 0.000 7.511 0.000) 7.511 3.561 ( 0.000 -7.146 0.000) 7.146 3.561 ( 0.000 7.146 0.000) 7.146 3.625 ( 0.000 -10.800 0.000) 10.800 3.625 ( 0.000 10.800 0.000) 10.800 3.835 ( 0.000 -19.627 0.000) 19.627 3.835 ( 0.000 19.627 0.000) 19.627 3.963 ( 0.000 -3.786 0.000) 3.786 3.963 ( 0.000 3.786 0.000) 3.786 4.637 ( 0.000 -3.662 0.000) 3.662 4.637 ( 0.000 3.662 0.000) 3.662 4.651 ( 0.000 -5.487 0.000) 5.487 4.651 ( 0.000 5.487 0.000) 5.487 5.251 ( 0.000 -4.137 0.000) 4.137 5.251 ( 0.000 4.137 0.000) 4.137 5.534 ( 0.000 -13.431 0.000) 13.431 5.534 ( 0.000 13.431 0.000) 13.431 5.539 ( 0.000 -4.587 0.000) 4.587 5.539 ( 0.000 4.587 0.000) 4.587 5.807 ( 0.000 -2.595 0.000) 2.595 5.807 ( 0.000 2.595 0.000) 2.595 6.122 ( 0.000 -0.718 0.000) 0.718 6.122 ( 0.000 0.718 0.000) 0.718 6.214 ( 0.000 -5.326 0.000) 5.326 6.214 ( 0.000 5.326 0.000) 5.326 6.528 ( 0.000 -7.789 0.000) 7.789 6.528 ( 0.000 7.789 0.000) 7.789 7.428 ( 0.000 -3.591 0.000) 3.591 7.428 ( 0.000 3.591 0.000) 3.591 8.588 ( 0.000 -0.532 0.000) 0.532 8.588 ( 0.000 0.532 0.000) 0.532 10.085 ( 0.000 -36.731 0.000) 36.731 10.085 ( 0.000 36.731 0.000) 36.731 11.427 ( 0.000 -0.799 0.000) 0.799 11.427 ( 0.000 0.799 0.000) 0.799 11.564 ( 0.000 -1.150 0.000) 1.150 11.564 ( 0.000 1.150 0.000) 1.150 13.052 ( 0.000 -13.545 0.000) 13.545 13.052 ( 0.000 13.545 0.000) 13.545 13.823 ( 0.000 -7.305 0.000) 7.305 13.823 ( 0.000 7.305 0.000) 7.305 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 7.403 -13.437 0.000) 15.341 1.129 ( 7.403 13.437 0.000) 15.341 1.295 ( 8.855 -16.369 0.000) 18.610 1.295 ( 8.855 16.369 0.000) 18.610 1.785 ( 0.207 -4.790 0.000) 4.795 1.785 ( 0.207 4.790 0.000) 4.795 2.267 ( -3.871 -5.259 0.000) 6.531 2.267 ( -3.871 5.259 0.000) 6.531 2.471 ( -4.399 -22.085 0.000) 22.519 2.471 ( -4.399 22.085 0.000) 22.519 2.766 ( 2.331 -7.382 0.000) 7.741 2.766 ( 2.331 7.382 0.000) 7.741 2.792 ( 0.232 -4.967 0.000) 4.972 2.792 ( 0.232 4.967 0.000) 4.972 2.930 ( -15.098 -8.117 0.000) 17.142 2.930 ( -15.098 8.117 0.000) 17.142 3.252 ( -6.244 -6.807 0.000) 9.236 3.252 ( -6.244 6.807 0.000) 9.236 3.567 ( 4.036 -4.717 0.000) 6.208 3.567 ( 4.036 4.717 0.000) 6.208 3.724 ( 4.821 -0.143 0.000) 4.823 3.724 ( 4.821 0.143 0.000) 4.823 3.773 ( -7.965 -2.911 0.000) 8.480 3.773 ( -7.965 2.911 0.000) 8.480 3.908 ( 14.526 -2.914 0.000) 14.815 3.908 ( 14.526 2.914 0.000) 14.815 3.932 ( 12.035 -5.993 0.000) 13.444 3.932 ( 12.035 5.993 0.000) 13.444 4.609 ( -3.031 -5.393 0.000) 6.186 4.609 ( -3.031 5.393 0.000) 6.186 4.790 ( 9.799 -5.609 0.000) 11.291 4.790 ( 9.799 5.609 0.000) 11.291 5.215 ( -3.282 -2.313 0.000) 4.015 5.215 ( -3.282 2.313 0.000) 4.015 5.441 ( -7.175 -10.630 0.000) 12.825 5.441 ( -7.175 10.630 0.000) 12.825 5.526 ( -1.225 -5.130 0.000) 5.274 5.526 ( -1.225 5.130 0.000) 5.274 5.857 ( 3.355 -3.612 0.000) 4.930 5.857 ( 3.355 3.612 0.000) 4.930 6.066 ( -4.921 -0.736 0.000) 4.976 6.066 ( -4.921 0.736 0.000) 4.976 6.189 ( -2.505 -4.460 0.000) 5.116 6.189 ( -2.505 4.460 0.000) 5.116 6.583 ( 4.937 -8.172 0.000) 9.548 6.583 ( 4.937 8.172 0.000) 9.548 7.377 ( -4.622 -6.456 0.000) 7.940 7.377 ( -4.622 6.456 0.000) 7.940 8.761 ( 16.353 -0.693 0.000) 16.368 8.761 ( 16.353 0.693 0.000) 16.368 10.106 ( 2.135 -36.102 0.000) 36.165 10.106 ( 2.135 36.102 0.000) 36.165 11.247 ( -15.013 -3.874 0.000) 15.505 11.247 ( -15.013 3.874 0.000) 15.505 11.484 ( -7.921 -1.146 0.000) 8.003 11.484 ( -7.921 1.146 0.000) 8.003 13.194 ( 11.550 -11.252 0.000) 16.125 13.194 ( 11.550 11.252 0.000) 16.125 13.818 ( -0.561 -7.136 0.000) 7.158 13.818 ( -0.561 7.136 0.000) 7.158 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 7.082 -11.039 0.000) 13.115 1.288 ( 7.082 11.039 0.000) 13.115 1.468 ( 7.524 -13.926 0.000) 15.829 1.468 ( 7.524 13.926 0.000) 15.829 1.779 ( -3.069 -0.670 0.000) 3.141 1.779 ( -3.069 0.670 0.000) 3.141 2.123 ( -10.108 -7.429 0.000) 12.544 2.123 ( -10.108 7.429 0.000) 12.544 2.341 ( -3.731 -2.479 0.000) 4.479 2.341 ( -3.731 2.479 0.000) 4.479 2.665 ( -7.742 -8.653 0.000) 11.611 2.665 ( -7.742 8.653 0.000) 11.611 2.846 ( 2.382 -6.442 0.000) 6.868 2.846 ( 2.382 6.442 0.000) 6.868 2.922 ( 10.683 -13.355 0.000) 17.102 2.922 ( 10.683 13.355 0.000) 17.102 3.203 ( 0.299 -6.195 0.000) 6.202 3.203 ( 0.299 6.195 0.000) 6.202 3.576 ( -6.945 -6.986 0.000) 9.851 3.576 ( -6.945 6.986 0.000) 9.851 3.594 ( -1.819 -8.851 0.000) 9.036 3.594 ( -1.819 8.851 0.000) 9.036 3.830 ( 7.611 -5.974 0.000) 9.676 3.830 ( 7.611 5.974 0.000) 9.676 4.227 ( 14.398 -8.231 0.000) 16.585 4.227 ( 14.398 8.231 0.000) 16.585 4.239 ( 14.457 -1.497 0.000) 14.534 4.239 ( 14.457 1.497 0.000) 14.534 4.501 ( -7.797 -8.279 0.000) 11.372 4.501 ( -7.797 8.279 0.000) 11.372 4.912 ( -0.461 -4.829 0.000) 4.851 4.912 ( -0.461 4.830 0.000) 4.851 5.166 ( 0.649 -8.271 0.000) 8.296 5.166 ( 0.649 8.271 0.000) 8.296 5.306 ( -5.329 -6.925 0.000) 8.738 5.306 ( -5.329 6.925 0.000) 8.738 5.499 ( -1.037 -5.410 0.000) 5.508 5.499 ( -1.037 5.410 0.000) 5.508 5.902 ( 0.541 -2.763 0.000) 2.816 5.902 ( 0.541 2.763 0.000) 2.816 5.948 ( -6.001 -0.809 0.000) 6.056 5.948 ( -6.001 0.809 0.000) 6.056 6.117 ( -4.397 -2.612 0.000) 5.114 6.117 ( -4.397 2.612 0.000) 5.114 6.705 ( 6.850 -8.249 0.000) 10.723 6.705 ( 6.850 8.249 0.000) 10.723 7.263 ( -6.276 -8.924 0.000) 10.910 7.263 ( -6.276 8.924 0.000) 10.910 9.201 ( 26.111 -0.938 0.000) 26.128 9.201 ( 26.111 0.938 0.000) 26.128 10.171 ( 4.247 -34.165 0.000) 34.427 10.171 ( 4.247 34.165 0.000) 34.427 10.926 ( -15.357 -11.031 0.000) 18.908 10.926 ( -15.357 11.031 0.000) 18.908 11.246 ( -15.558 -1.122 0.000) 15.599 11.246 ( -15.558 1.122 0.000) 15.599 13.426 ( 10.356 -6.202 0.000) 12.071 13.426 ( 10.356 6.202 0.000) 12.071 13.800 ( -1.251 -6.529 0.000) 6.648 13.800 ( -1.251 6.529 0.000) 6.648 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 2.402 -9.844 0.000) 10.133 1.382 ( 2.402 9.844 0.000) 10.133 1.540 ( -3.872 -12.908 0.000) 13.476 1.540 ( -3.872 12.908 0.000) 13.476 1.700 ( 1.272 -2.571 0.000) 2.869 1.700 ( 1.272 2.571 0.000) 2.869 1.922 ( -8.387 -4.230 0.000) 9.393 1.922 ( -8.387 4.230 0.000) 9.393 2.375 ( 4.998 -5.595 0.000) 7.503 2.375 ( 4.998 5.595 0.000) 7.503 2.559 ( -3.861 -8.539 0.000) 9.371 2.559 ( -3.861 8.539 0.000) 9.371 2.912 ( 3.961 -7.467 0.000) 8.452 2.912 ( 3.961 7.467 0.000) 8.452 3.054 ( 0.037 -9.661 0.000) 9.661 3.054 ( 0.037 9.661 0.000) 9.661 3.278 ( 7.006 -13.160 0.000) 14.908 3.278 ( 7.006 13.160 0.000) 14.908 3.518 ( -5.047 -9.407 0.000) 10.676 3.518 ( -5.047 9.407 0.000) 10.676 3.567 ( 7.320 -16.233 0.000) 17.807 3.567 ( 7.320 16.233 0.000) 17.807 3.986 ( 3.752 -1.884 0.000) 4.198 3.986 ( 3.752 1.884 0.000) 4.198 4.299 ( -5.681 -4.016 0.000) 6.958 4.299 ( -5.681 4.016 0.000) 6.958 4.439 ( 4.173 -4.251 0.000) 5.957 4.439 ( 4.173 4.251 0.000) 5.957 4.503 ( 9.860 -11.197 0.000) 14.919 4.503 ( 9.860 11.197 0.000) 14.919 4.795 ( -8.116 -7.881 0.000) 11.313 4.795 ( -8.116 7.881 0.000) 11.313 5.220 ( 2.177 -10.569 0.000) 10.791 5.220 ( 2.177 10.569 0.000) 10.791 5.239 ( -1.513 -6.263 0.000) 6.443 5.239 ( -1.513 6.263 0.000) 6.443 5.514 ( 3.486 -4.448 0.000) 5.651 5.514 ( 3.486 4.448 0.000) 5.651 5.797 ( -7.617 -3.280 0.000) 8.293 5.797 ( -7.617 3.280 0.000) 8.293 5.922 ( 0.496 -3.693 0.000) 3.726 5.922 ( 0.496 3.693 0.000) 3.726 6.024 ( -4.510 -1.867 0.000) 4.882 6.024 ( -4.510 1.867 0.000) 4.882 6.850 ( 7.295 -7.754 0.000) 10.646 6.850 ( 7.295 7.754 0.000) 10.646 7.132 ( -6.663 -8.926 0.000) 11.139 7.132 ( -6.663 8.926 0.000) 11.139 9.768 ( 29.158 -1.080 0.000) 29.178 9.768 ( 29.158 1.080 0.000) 29.178 10.277 ( 6.271 -30.642 0.000) 31.277 10.277 ( 6.271 30.642 0.000) 31.277 10.651 ( -11.877 -19.098 0.000) 22.490 10.651 ( -11.877 19.098 0.000) 22.490 10.863 ( -22.227 -0.936 0.000) 22.247 10.863 ( -22.227 0.936 0.000) 22.247 13.597 ( 6.709 -1.079 0.000) 6.795 13.597 ( 6.709 1.079 0.000) 6.795 13.765 ( -2.291 -5.210 0.000) 5.692 13.765 ( -2.291 5.210 0.000) 5.692 ======================= Grid point 35 (20/100) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -3.852 -9.223 0.000) 9.995 1.430 ( 3.852 -9.223 0.000) 9.995 1.430 ( -3.852 9.223 0.000) 9.995 1.430 ( 3.852 9.223 0.000) 9.995 1.791 ( -5.391 -4.776 0.000) 7.202 1.791 ( 5.391 -4.776 0.000) 7.202 1.791 ( -5.391 4.776 0.000) 7.202 1.791 ( 5.391 4.776 0.000) 7.202 2.478 ( -4.603 -7.140 0.000) 8.495 2.478 ( 4.603 -7.140 0.000) 8.495 2.478 ( -4.603 7.140 0.000) 8.495 2.478 ( 4.603 7.140 0.000) 8.495 2.996 ( -4.136 -10.168 0.000) 10.977 2.996 ( 4.136 -10.168 0.000) 10.977 2.996 ( -4.136 10.168 0.000) 10.977 2.996 ( 4.136 10.168 0.000) 10.977 3.407 ( -5.815 -9.683 0.000) 11.295 3.407 ( 5.815 -9.683 0.000) 11.295 3.407 ( -5.815 9.683 0.000) 11.295 3.407 ( 5.815 9.683 0.000) 11.295 3.823 ( -14.852 -11.560 0.000) 18.821 3.823 ( 14.852 -11.560 0.000) 18.821 3.823 ( -14.852 11.560 0.000) 18.821 3.823 ( 14.852 11.560 0.000) 18.821 4.379 ( -8.355 -7.460 0.000) 11.201 4.379 ( 8.355 -7.460 0.000) 11.201 4.379 ( -8.355 7.460 0.000) 11.201 4.379 ( 8.355 7.460 0.000) 11.201 4.660 ( -5.856 -6.713 0.000) 8.908 4.660 ( 5.856 -6.713 0.000) 8.908 4.660 ( -5.856 6.713 0.000) 8.908 4.660 ( 5.856 6.713 0.000) 8.908 5.231 ( -0.241 -8.731 0.000) 8.734 5.231 ( 0.241 -8.731 0.000) 8.734 5.231 ( -0.241 8.731 0.000) 8.734 5.231 ( 0.241 8.731 0.000) 8.734 5.638 ( -7.801 -4.763 0.000) 9.140 5.638 ( 7.801 -4.763 0.000) 9.140 5.638 ( -7.801 4.763 0.000) 9.140 5.638 ( 7.801 4.763 0.000) 9.140 5.950 ( -2.551 -2.833 0.000) 3.812 5.950 ( 2.551 -2.833 0.000) 3.812 5.950 ( -2.551 2.833 0.000) 3.812 5.950 ( 2.551 2.833 0.000) 3.812 6.995 ( -7.035 -7.964 0.000) 10.626 6.995 ( 7.035 -7.964 0.000) 10.626 6.995 ( -7.035 7.964 0.000) 10.626 6.995 ( 7.035 7.964 0.000) 10.626 10.326 ( -20.862 -3.598 0.000) 21.170 10.326 ( -20.862 3.598 0.000) 21.170 10.326 ( 20.862 -3.598 0.000) 21.170 10.326 ( 20.862 3.598 0.000) 21.170 10.462 ( -2.340 -21.232 0.000) 21.360 10.462 ( 2.340 -21.232 0.000) 21.360 10.462 ( -2.340 21.232 0.000) 21.360 10.462 ( 2.340 21.232 0.000) 21.360 13.703 ( -3.995 -2.804 0.000) 4.881 13.703 ( 3.995 -2.804 0.000) 4.881 13.703 ( -3.995 2.804 0.000) 4.881 13.703 ( 3.995 2.804 0.000) 4.881 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 0.000 0.000 18.803) 18.803 0.511 ( 0.000 0.000 23.996) 23.996 0.856 ( 0.000 0.000 40.317) 40.317 1.572 ( 0.000 0.000 9.819) 9.819 1.829 ( 0.000 0.000 8.336) 8.336 1.927 ( 0.000 0.000 6.126) 6.126 2.165 ( 0.000 0.000 -7.728) 7.728 2.339 ( 0.000 0.000 -7.064) 7.064 2.389 ( 0.000 0.000 -5.052) 5.052 2.448 ( 0.000 0.000 -4.464) 4.464 2.594 ( 0.000 0.000 -15.368) 15.368 2.729 ( 0.000 0.000 1.672) 1.672 2.758 ( 0.000 0.000 3.604) 3.604 2.760 ( 0.000 0.000 -1.438) 1.438 2.794 ( 0.000 0.000 -2.183) 2.183 2.932 ( 0.000 0.000 0.079) 0.079 2.951 ( 0.000 0.000 -2.036) 2.036 3.149 ( 0.000 0.000 -12.948) 12.948 3.539 ( 0.000 0.000 -0.135) 0.135 3.580 ( 0.000 0.000 -11.939) 11.939 3.693 ( 0.000 0.000 18.388) 18.388 3.712 ( 0.000 0.000 3.504) 3.504 3.760 ( 0.000 0.000 4.235) 4.235 3.804 ( 0.000 0.000 -4.699) 4.699 3.995 ( 0.000 0.000 -6.909) 6.909 4.003 ( 0.000 0.000 3.551) 3.551 4.166 ( 0.000 0.000 -8.868) 8.868 4.204 ( 0.000 0.000 11.169) 11.169 4.360 ( 0.000 0.000 1.036) 1.036 4.462 ( 0.000 0.000 1.603) 1.603 4.619 ( 0.000 0.000 7.022) 7.022 4.883 ( 0.000 0.000 -0.019) 0.019 5.077 ( 0.000 0.000 3.627) 3.627 5.179 ( 0.000 0.000 5.665) 5.665 5.251 ( 0.000 0.000 6.619) 6.619 5.272 ( 0.000 0.000 -9.322) 9.322 5.345 ( 0.000 0.000 0.270) 0.270 5.771 ( 0.000 0.000 -1.978) 1.978 5.907 ( 0.000 0.000 -4.156) 4.156 6.021 ( 0.000 0.000 -4.910) 4.910 6.032 ( 0.000 0.000 -5.611) 5.611 6.129 ( 0.000 0.000 -0.658) 0.658 6.191 ( 0.000 0.000 -5.837) 5.837 6.285 ( 0.000 0.000 7.110) 7.110 6.417 ( 0.000 0.000 -8.319) 8.319 6.972 ( 0.000 0.000 11.783) 11.783 7.658 ( 0.000 0.000 -3.684) 3.684 7.799 ( 0.000 0.000 -1.374) 1.374 8.726 ( 0.000 0.000 5.432) 5.432 8.729 ( 0.000 0.000 14.942) 14.942 8.778 ( 0.000 0.000 15.763) 15.763 11.197 ( 0.000 0.000 -25.829) 25.829 11.303 ( 0.000 0.000 -7.314) 7.314 11.380 ( 0.000 0.000 -7.439) 7.439 11.646 ( 0.000 0.000 0.454) 0.454 11.755 ( 0.000 0.000 -0.617) 0.617 12.759 ( 0.000 0.000 19.729) 19.729 13.259 ( 0.000 0.000 -0.072) 0.072 13.325 ( 0.000 0.000 -0.503) 0.503 13.959 ( 0.000 0.000 -1.162) 1.162 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 12.409 0.000 11.904) 17.196 0.568 ( 14.903 0.000 11.927) 19.088 1.305 ( 31.148 0.000 27.750) 41.717 1.624 ( 5.481 0.000 6.276) 8.332 1.932 ( 7.365 0.000 9.491) 12.014 1.979 ( 4.973 0.000 6.078) 7.853 2.140 ( -2.603 0.000 -6.520) 7.020 2.206 ( -12.041 0.000 -3.121) 12.439 2.292 ( -3.596 0.000 -4.814) 6.009 2.432 ( -8.003 0.000 -9.370) 12.323 2.482 ( -2.470 0.000 -6.922) 7.349 2.704 ( -1.884 0.000 -8.795) 8.995 2.705 ( -6.776 0.000 0.856) 6.830 2.747 ( -2.670 0.000 5.904) 6.480 2.877 ( 2.992 0.000 -7.761) 8.317 2.935 ( 9.065 0.000 3.432) 9.693 3.040 ( 3.346 0.000 -0.400) 3.370 3.077 ( -6.115 0.000 -4.961) 7.875 3.285 ( -7.921 0.000 -6.193) 10.055 3.651 ( -12.550 0.000 1.236) 12.611 3.669 ( 0.687 0.000 -2.435) 2.530 3.679 ( -2.352 0.000 2.820) 3.672 3.722 ( -2.224 0.000 -6.221) 6.606 3.915 ( 4.512 0.000 -0.586) 4.550 3.921 ( -7.088 0.000 -1.645) 7.277 4.100 ( 10.782 0.000 6.647) 12.667 4.156 ( 2.991 0.000 8.365) 8.883 4.296 ( -3.043 0.000 -10.726) 11.150 4.311 ( 13.159 0.000 6.303) 14.590 4.548 ( 6.815 0.000 2.335) 7.204 4.735 ( 8.606 0.000 8.973) 12.433 4.871 ( -0.961 0.000 9.194) 9.244 5.078 ( -1.702 0.000 -0.747) 1.859 5.204 ( -2.568 0.000 -7.012) 7.468 5.290 ( 1.687 0.000 4.175) 4.503 5.341 ( -0.492 0.000 0.422) 0.648 5.571 ( 19.341 0.000 -18.792) 26.967 5.690 ( -7.406 0.000 -2.289) 7.752 5.869 ( -8.952 0.000 -8.693) 12.479 5.923 ( 2.008 0.000 -2.418) 3.143 6.058 ( -1.299 0.000 -1.446) 1.944 6.160 ( 1.195 0.000 2.180) 2.486 6.198 ( 0.577 0.000 -4.694) 4.730 6.277 ( -0.170 0.000 4.228) 4.231 6.413 ( 0.097 0.000 -5.464) 5.465 7.021 ( 3.968 0.000 11.517) 12.181 7.321 ( -17.703 0.000 16.378) 24.117 7.766 ( -4.584 0.000 -3.074) 5.519 8.639 ( 0.366 0.000 0.114) 0.383 8.946 ( 16.049 0.000 14.919) 21.912 9.011 ( 18.619 0.000 17.856) 25.797 10.816 ( -24.620 0.000 -22.066) 33.061 11.444 ( 1.729 0.000 -3.247) 3.679 11.522 ( 3.181 0.000 -4.306) 5.353 11.650 ( 0.342 0.000 0.426) 0.546 11.750 ( -0.553 0.000 -0.139) 0.571 12.874 ( 10.699 0.000 12.332) 16.327 13.210 ( -5.937 0.000 -5.799) 8.299 13.250 ( -0.810 0.000 -0.894) 1.207 13.942 ( -1.619 0.000 -1.512) 2.215 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 19.779 0.000 -2.723) 19.965 0.906 ( 17.697 0.000 5.711) 18.596 1.765 ( 6.628 0.000 2.173) 6.975 1.850 ( 10.879 0.000 6.196) 12.519 1.983 ( -2.276 0.000 4.704) 5.226 2.037 ( 2.203 0.000 1.532) 2.684 2.055 ( -5.379 0.000 -2.032) 5.750 2.135 ( 10.437 0.000 6.875) 12.498 2.296 ( 3.661 0.000 1.510) 3.960 2.303 ( -2.365 0.000 -4.914) 5.454 2.378 ( -7.226 0.000 -7.546) 10.448 2.559 ( -7.271 0.000 0.960) 7.335 2.585 ( -6.493 0.000 -3.363) 7.312 2.743 ( 3.472 0.000 4.236) 5.477 2.891 ( -8.771 0.000 -0.318) 8.777 3.006 ( 8.820 0.000 -9.543) 12.995 3.099 ( 2.660 0.000 -0.633) 2.735 3.126 ( 0.382 0.000 7.435) 7.445 3.212 ( 1.068 0.000 -5.270) 5.377 3.353 ( -9.290 0.000 -1.144) 9.361 3.599 ( -5.560 0.000 -2.168) 5.968 3.626 ( -4.144 0.000 -12.429) 13.102 3.786 ( 7.125 0.000 -8.108) 10.793 3.843 ( -6.872 0.000 -4.230) 8.070 3.859 ( 0.134 0.000 -2.041) 2.045 4.145 ( -6.016 0.000 -10.227) 11.865 4.338 ( 10.549 0.000 7.288) 12.822 4.479 ( 17.600 0.000 8.872) 19.710 4.495 ( 3.597 0.000 -0.857) 3.698 4.663 ( 4.058 0.000 3.356) 5.266 4.863 ( -0.324 0.000 10.288) 10.294 4.907 ( 7.821 0.000 9.929) 12.639 4.984 ( -6.208 0.000 -6.247) 8.807 5.163 ( -2.931 0.000 -4.450) 5.329 5.314 ( -0.192 0.000 5.531) 5.535 5.325 ( -0.936 0.000 0.737) 1.191 5.473 ( -7.729 0.000 2.809) 8.223 5.695 ( -7.887 0.000 -8.780) 11.803 5.867 ( 8.910 0.000 -14.658) 17.154 5.966 ( 1.880 0.000 -3.933) 4.360 6.012 ( -2.748 0.000 0.825) 2.869 6.140 ( -3.075 0.000 7.202) 7.831 6.189 ( -1.346 0.000 2.176) 2.559 6.258 ( -2.931 0.000 -3.981) 4.944 6.490 ( 8.409 0.000 -0.072) 8.409 7.051 ( -3.639 0.000 12.801) 13.308 7.151 ( 1.544 0.000 11.433) 11.537 7.639 ( -7.554 0.000 -1.653) 7.733 8.731 ( 8.497 0.000 -8.100) 11.739 9.382 ( 26.015 0.000 13.665) 29.385 9.460 ( 25.304 0.000 20.950) 32.851 10.293 ( -26.449 0.000 -20.776) 33.634 11.342 ( -11.214 0.000 8.046) 13.802 11.408 ( -13.081 0.000 8.335) 15.511 11.660 ( 0.677 0.000 0.344) 0.759 11.734 ( -0.920 0.000 0.146) 0.932 13.140 ( 14.421 0.000 2.084) 14.571 13.149 ( -0.752 0.000 -13.794) 13.814 13.229 ( -1.269 0.000 -3.139) 3.386 13.891 ( -3.559 0.000 -2.418) 4.303 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 17.023 0.000 1.783) 17.116 1.260 ( 17.022 0.000 -4.940) 17.724 1.825 ( -4.641 0.000 -2.082) 5.087 1.848 ( -3.646 0.000 -7.157) 8.032 1.859 ( -3.461 0.000 1.315) 3.703 1.966 ( -8.280 0.000 -5.319) 9.841 2.030 ( -0.159 0.000 6.253) 6.255 2.137 ( -5.530 0.000 -7.884) 9.630 2.327 ( 0.076 0.000 1.075) 1.078 2.334 ( 0.605 0.000 0.145) 0.622 2.429 ( 5.140 0.000 4.309) 6.707 2.442 ( -3.734 0.000 6.327) 7.347 2.659 ( -8.591 0.000 3.971) 9.464 2.767 ( 13.910 0.000 9.554) 16.875 2.893 ( 10.128 0.000 -1.249) 10.205 2.954 ( -3.651 0.000 10.505) 11.121 3.142 ( 1.042 0.000 -0.773) 1.297 3.190 ( 8.095 0.000 -10.356) 13.144 3.289 ( 3.939 0.000 -5.964) 7.147 3.376 ( 4.359 0.000 -7.415) 8.601 3.458 ( -7.997 0.000 -6.957) 10.600 3.537 ( -4.508 0.000 -15.554) 16.194 3.746 ( -1.278 0.000 -4.631) 4.804 3.844 ( 1.252 0.000 -2.013) 2.370 3.983 ( 6.645 0.000 -5.444) 8.590 3.992 ( -8.802 0.000 -11.969) 14.857 4.376 ( -6.164 0.000 -6.721) 9.120 4.539 ( 1.465 0.000 1.412) 2.034 4.725 ( 1.740 0.000 5.992) 6.239 4.773 ( -5.240 0.000 -7.044) 8.779 4.814 ( 14.119 0.000 8.628) 16.547 4.946 ( 1.087 0.000 9.462) 9.524 5.027 ( 3.407 0.000 9.743) 10.321 5.051 ( -5.971 0.000 -2.328) 6.409 5.318 ( 1.785 0.000 4.053) 4.429 5.321 ( 1.361 0.000 1.045) 1.716 5.410 ( -1.363 0.000 7.798) 7.916 5.549 ( -6.978 0.000 -5.375) 8.808 5.966 ( -1.302 0.000 3.791) 4.008 5.993 ( 4.118 0.000 -9.363) 10.229 6.004 ( 2.183 0.000 -4.105) 4.650 6.055 ( -4.693 0.000 8.644) 9.836 6.157 ( -1.724 0.000 3.769) 4.144 6.180 ( -3.922 0.000 -0.885) 4.021 6.695 ( 10.471 0.000 0.663) 10.492 6.976 ( -3.632 0.000 8.271) 9.033 7.219 ( 4.082 0.000 8.117) 9.086 7.475 ( -8.321 0.000 0.811) 8.360 8.969 ( 14.899 0.000 -13.099) 19.838 9.776 ( -24.300 0.000 -18.598) 30.600 9.950 ( 29.450 0.000 12.932) 32.164 10.002 ( 27.711 0.000 20.658) 34.563 11.019 ( -20.240 0.000 14.814) 25.082 11.044 ( -22.313 0.000 12.094) 25.380 11.676 ( 0.889 0.000 0.238) 0.920 11.715 ( -0.965 0.000 0.070) 0.968 13.154 ( 0.854 0.000 -13.402) 13.430 13.202 ( -1.352 0.000 -6.365) 6.507 13.419 ( 12.670 0.000 -2.767) 12.969 13.795 ( -6.099 0.000 -3.465) 7.014 ======================= Grid point 67 (25/100) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -14.539 0.000 -1.539) 14.620 1.580 ( 14.539 0.000 -1.539) 14.620 1.590 ( -16.155 0.000 -4.959) 16.899 1.590 ( 16.155 0.000 -4.959) 16.899 1.942 ( -6.443 0.000 4.530) 7.876 1.942 ( 6.443 0.000 4.530) 7.876 2.006 ( -7.132 0.000 -11.291) 13.355 2.006 ( 7.132 0.000 -11.291) 13.355 2.373 ( -3.610 0.000 4.833) 6.032 2.373 ( 3.610 0.000 4.833) 6.032 2.401 ( -7.236 0.000 4.562) 8.554 2.401 ( 7.236 0.000 4.562) 8.554 2.660 ( -9.393 0.000 8.471) 12.649 2.660 ( 9.393 0.000 8.471) 12.649 3.087 ( -7.351 0.000 -1.892) 7.591 3.087 ( 7.351 0.000 -1.892) 7.591 3.247 ( -11.806 0.000 4.292) 12.562 3.247 ( 11.806 0.000 4.292) 12.562 3.315 ( -5.604 0.000 -10.351) 11.771 3.315 ( 5.604 0.000 -10.351) 11.771 3.452 ( -4.089 0.000 -15.423) 15.956 3.452 ( 4.089 0.000 -15.423) 15.956 3.816 ( -7.498 0.000 -7.939) 10.920 3.816 ( 7.498 0.000 -7.939) 10.920 3.925 ( -7.712 0.000 -0.617) 7.737 3.925 ( 7.712 0.000 -0.617) 7.737 4.420 ( -9.386 0.000 -12.162) 15.362 4.420 ( 9.386 0.000 -12.162) 15.362 4.747 ( -1.113 0.000 4.229) 4.373 4.747 ( 1.113 0.000 4.229) 4.373 4.973 ( -1.983 0.000 4.694) 5.095 4.973 ( 1.983 0.000 4.694) 5.095 5.012 ( -5.259 0.000 7.642) 9.276 5.012 ( 5.259 0.000 7.642) 9.276 5.369 ( -2.654 0.000 5.724) 6.309 5.369 ( 2.654 0.000 5.724) 6.309 5.407 ( -6.677 0.000 -0.048) 6.678 5.407 ( 6.677 0.000 -0.048) 6.678 5.977 ( -2.504 0.000 6.667) 7.121 5.977 ( 2.504 0.000 6.667) 7.121 6.038 ( -0.656 0.000 -7.448) 7.477 6.038 ( 0.656 0.000 -7.448) 7.477 6.132 ( -0.430 0.000 4.298) 4.319 6.132 ( 0.430 0.000 4.298) 4.319 6.875 ( -6.927 0.000 3.495) 7.759 6.875 ( 6.927 0.000 3.495) 7.759 7.322 ( -6.454 0.000 4.598) 7.925 7.322 ( 6.454 0.000 4.598) 7.925 9.325 ( -20.196 0.000 -16.189) 25.884 9.325 ( 20.196 0.000 -16.189) 25.884 10.534 ( -27.744 0.000 12.653) 30.493 10.534 ( 27.744 0.000 12.653) 30.493 10.549 ( -25.851 0.000 18.557) 31.822 10.549 ( 25.851 0.000 18.557) 31.822 11.695 ( -0.978 0.000 0.125) 0.986 11.695 ( 0.978 0.000 0.125) 0.986 13.176 ( -1.227 0.000 -10.059) 10.133 13.176 ( 1.227 0.000 -10.059) 10.133 13.641 ( -9.305 0.000 -3.959) 10.112 13.641 ( 9.305 0.000 -3.959) 10.112 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 0.000 13.326 12.957) 18.587 0.655 ( 0.000 13.176 18.257) 22.515 1.186 ( 0.000 28.736 26.878) 39.347 1.529 ( 0.000 -4.593 9.334) 10.403 1.811 ( 0.000 -7.304 5.817) 9.337 1.874 ( 0.000 -1.916 3.773) 4.231 2.081 ( 0.000 -8.635 -6.591) 10.863 2.366 ( 0.000 -2.066 -4.993) 5.403 2.397 ( 0.000 4.126 -7.585) 8.635 2.441 ( 0.000 -4.463 -8.280) 9.406 2.581 ( 0.000 3.843 -2.047) 4.354 2.663 ( 0.000 4.351 -8.372) 9.435 2.728 ( 0.000 0.949 -0.498) 1.071 2.900 ( 0.000 6.088 -5.117) 7.953 2.937 ( 0.000 -0.180 0.995) 1.011 2.993 ( 0.000 9.747 -6.463) 11.695 3.114 ( 0.000 16.413 4.477) 17.013 3.165 ( 0.000 1.974 -12.188) 12.347 3.482 ( 0.000 -6.718 1.700) 6.929 3.589 ( 0.000 1.628 -14.750) 14.840 3.612 ( 0.000 -7.161 12.429) 14.344 3.685 ( 0.000 -2.369 7.136) 7.519 3.714 ( 0.000 -7.782 -3.748) 8.638 3.779 ( 0.000 -0.144 -0.525) 0.545 3.926 ( 0.000 -4.099 9.804) 10.626 3.948 ( 0.000 -2.469 2.460) 3.485 4.098 ( 0.000 -8.242 -4.095) 9.203 4.268 ( 0.000 6.737 4.453) 8.076 4.455 ( 0.000 7.116 0.844) 7.166 4.536 ( 0.000 5.821 2.283) 6.253 4.824 ( 0.000 11.734 -2.079) 11.917 4.825 ( 0.000 -4.795 -0.363) 4.809 4.929 ( 0.000 -11.771 0.637) 11.788 5.218 ( 0.000 4.211 5.564) 6.978 5.255 ( 0.000 -1.149 -9.597) 9.666 5.281 ( 0.000 3.721 5.582) 6.709 5.428 ( 0.000 6.609 0.169) 6.611 5.752 ( 0.000 -1.646 -1.855) 2.480 5.884 ( 0.000 -2.259 -3.871) 4.481 6.026 ( 0.000 0.481 -5.299) 5.320 6.058 ( 0.000 0.668 -6.117) 6.153 6.097 ( 0.000 -4.899 -2.060) 5.315 6.167 ( 0.000 -2.271 -3.507) 4.178 6.338 ( 0.000 5.376 7.368) 9.121 6.382 ( 0.000 -3.704 -7.585) 8.441 6.929 ( 0.000 -4.456 11.498) 12.331 7.590 ( 0.000 -12.351 8.879) 15.212 7.605 ( 0.000 -4.907 -3.305) 5.916 8.732 ( 0.000 0.334 14.993) 14.997 8.773 ( 0.000 -0.305 15.583) 15.586 8.934 ( 0.000 20.219 4.984) 20.824 11.222 ( 0.000 2.377 -24.479) 24.595 11.310 ( 0.000 0.644 -7.919) 7.945 11.377 ( 0.000 -0.407 -7.454) 7.465 11.386 ( 0.000 -24.507 0.693) 24.517 11.580 ( 0.000 -9.453 -1.757) 9.615 12.822 ( 0.000 6.325 18.475) 19.527 13.397 ( 0.000 12.039 -0.085) 12.040 13.432 ( 0.000 2.679 -1.026) 2.869 13.953 ( 0.000 -0.810 -0.999) 1.286 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.12 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 10.827 11.524 8.876) 18.133 0.753 ( 9.876 14.490 8.318) 19.408 1.492 ( 23.464 16.924 20.817) 35.642 1.587 ( 6.315 -2.864 7.709) 10.369 1.860 ( 3.001 -7.625 5.915) 10.106 1.924 ( 5.493 -4.712 5.217) 8.922 2.061 ( -1.851 -7.082 -5.278) 9.024 2.199 ( -11.330 -1.349 -1.497) 11.508 2.340 ( -5.768 5.209 -8.358) 11.413 2.460 ( -0.426 -1.799 -8.285) 8.488 2.540 ( -5.073 5.843 -3.910) 8.669 2.628 ( -2.882 1.095 -4.641) 5.571 2.712 ( 1.233 -4.127 0.709) 4.365 2.816 ( -5.734 5.281 -3.645) 8.605 2.915 ( -0.276 6.758 -2.074) 7.074 3.050 ( -1.366 5.185 -6.614) 8.514 3.095 ( -6.289 8.230 -4.310) 11.219 3.201 ( -9.045 -5.065 0.573) 10.383 3.239 ( 8.656 13.397 2.400) 16.130 3.508 ( -10.574 -8.861 -4.098) 14.391 3.590 ( -5.398 -7.356 -8.507) 12.475 3.633 ( -1.270 -3.252 2.575) 4.338 3.760 ( 4.186 -3.862 4.032) 6.978 3.821 ( 1.913 -0.748 3.210) 3.811 4.020 ( 3.514 0.532 -1.579) 3.889 4.087 ( 10.477 0.797 4.512) 11.436 4.206 ( 9.962 0.206 2.336) 10.234 4.315 ( -3.917 1.825 0.727) 4.382 4.370 ( 6.010 7.248 2.639) 9.779 4.604 ( 1.419 5.086 -2.802) 5.978 4.707 ( 2.161 -3.365 9.927) 10.702 4.869 ( 1.758 0.176 6.797) 7.023 5.098 ( 1.674 0.581 -3.453) 3.882 5.183 ( -3.905 -1.355 -8.207) 9.189 5.281 ( 2.141 -1.384 0.979) 2.731 5.362 ( 3.831 0.279 0.544) 3.880 5.484 ( 8.483 -0.322 -4.768) 9.736 5.671 ( -8.470 -1.649 -1.925) 8.841 5.895 ( 1.807 -2.609 -2.290) 3.913 5.938 ( -5.448 3.397 -8.642) 10.766 6.038 ( -2.202 -1.668 -3.738) 4.648 6.131 ( 1.217 -3.553 1.614) 4.088 6.172 ( 0.462 -3.025 -3.802) 4.881 6.311 ( -2.414 0.792 -0.612) 2.613 6.410 ( 2.822 1.673 0.642) 3.343 6.978 ( 4.137 -4.435 11.033) 12.590 7.308 ( -13.978 -0.450 11.661) 18.209 7.674 ( -1.923 -7.859 -1.743) 8.276 8.755 ( 3.343 8.645 2.868) 9.702 8.941 ( 15.889 -0.545 14.765) 21.697 9.101 ( 15.203 11.620 14.787) 24.183 10.851 ( -23.692 3.401 -21.208) 31.979 11.389 ( 0.374 -23.452 0.447) 23.459 11.415 ( 1.927 -8.451 -4.286) 9.669 11.490 ( 3.767 -4.071 -3.862) 6.758 11.551 ( -3.834 -5.929 0.986) 7.129 12.931 ( 10.139 5.729 11.456) 16.336 13.359 ( -4.708 7.492 -5.113) 10.219 13.389 ( -0.804 12.013 -0.825) 12.068 13.937 ( -1.592 -0.763 -1.396) 2.251 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 15.820 6.610 -0.010) 17.145 1.006 ( 14.238 8.173 3.243) 16.735 1.699 ( 5.877 -6.756 2.151) 9.209 1.826 ( -2.555 -4.091 0.480) 4.847 1.933 ( -0.203 -2.152 2.494) 3.300 2.020 ( -1.842 -4.824 -3.914) 6.480 2.054 ( 9.737 -0.518 2.189) 9.994 2.128 ( 4.676 0.379 4.482) 6.488 2.223 ( 2.317 0.236 4.437) 5.011 2.366 ( -7.287 4.795 -2.668) 9.122 2.475 ( -3.162 1.744 -3.954) 5.355 2.526 ( -5.379 1.193 -1.424) 5.691 2.676 ( -5.857 1.670 2.195) 6.473 2.775 ( 2.660 5.058 -4.878) 7.514 2.887 ( -3.689 -2.278 1.742) 4.672 2.942 ( 3.508 -3.347 -5.424) 7.276 3.058 ( -3.351 10.057 1.135) 10.661 3.121 ( -4.633 -5.067 3.753) 7.824 3.357 ( 1.235 4.564 -11.525) 12.458 3.399 ( 5.686 10.272 1.806) 11.878 3.476 ( -5.241 -4.482 -9.317) 11.591 3.692 ( 4.212 -1.973 -8.330) 9.541 3.759 ( 0.218 -5.741 -0.809) 5.802 3.893 ( -1.355 6.722 -1.306) 6.980 3.951 ( -3.042 8.819 -1.474) 9.445 4.181 ( -3.972 0.493 -9.157) 9.993 4.349 ( 11.061 1.542 6.282) 12.814 4.462 ( 9.187 -0.689 2.369) 9.512 4.530 ( 5.160 4.051 2.729) 7.105 4.643 ( 5.727 -2.012 3.945) 7.239 4.765 ( 1.220 -6.075 9.283) 11.161 4.929 ( 3.751 -0.071 8.790) 9.557 5.005 ( -6.974 1.494 -7.043) 10.023 5.154 ( -1.182 -0.683 -2.954) 3.254 5.302 ( -0.465 -1.021 2.684) 2.909 5.372 ( -0.808 3.779 0.960) 3.982 5.474 ( -6.753 -0.065 2.763) 7.296 5.624 ( 0.879 -5.383 -6.852) 8.758 5.873 ( 0.419 0.353 -8.445) 8.463 5.928 ( 0.123 -3.022 -3.229) 4.424 5.997 ( -1.049 -1.676 0.325) 2.003 6.113 ( -2.241 -2.416 2.540) 4.160 6.180 ( -0.607 -2.902 0.912) 3.102 6.244 ( -4.045 -2.143 -3.769) 5.929 6.513 ( 7.634 3.449 3.088) 8.928 7.049 ( 0.028 -0.908 10.151) 10.192 7.120 ( -2.479 -1.626 10.633) 11.039 7.580 ( -6.547 -5.648 -0.816) 8.685 8.881 ( 9.057 13.848 -7.770) 18.280 9.372 ( 25.768 -0.986 13.254) 28.994 9.503 ( 23.755 5.132 20.685) 31.914 10.351 ( -25.039 5.839 -19.966) 32.553 11.328 ( -10.198 -4.625 5.607) 12.523 11.377 ( -11.898 -7.104 6.786) 15.430 11.414 ( -0.643 -19.620 1.704) 19.705 11.506 ( -0.682 -14.170 -0.024) 14.186 13.182 ( 13.533 4.226 1.530) 14.260 13.298 ( -1.292 10.393 -10.856) 15.084 13.367 ( -1.248 11.960 -2.802) 12.347 13.887 ( -3.374 -0.535 -2.395) 4.172 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.38 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 13.750 0.548 -1.373) 13.829 1.283 ( 12.388 0.680 0.429) 12.414 1.727 ( -4.698 -7.938 -7.137) 11.663 1.797 ( -1.588 -3.119 1.935) 3.999 1.851 ( -4.431 -3.010 -0.289) 5.364 1.958 ( -1.484 -1.649 -7.112) 7.450 2.007 ( -3.793 -4.765 3.049) 6.811 2.148 ( -7.524 4.834 -0.160) 8.945 2.227 ( 0.622 -7.261 1.759) 7.497 2.321 ( -4.432 -3.085 -2.627) 6.005 2.470 ( 1.687 1.627 3.015) 3.818 2.543 ( 1.918 8.121 1.123) 8.420 2.676 ( 4.463 -2.045 6.040) 7.783 2.825 ( -1.978 -1.265 3.167) 3.942 2.864 ( 0.884 11.722 6.034) 13.214 2.968 ( 8.425 -2.744 -7.481) 11.596 3.086 ( 0.657 -0.065 -1.284) 1.444 3.137 ( 11.253 1.622 -0.064) 11.370 3.341 ( -5.706 -4.005 -10.003) 12.193 3.462 ( 0.320 6.577 0.701) 6.622 3.489 ( 5.419 8.045 -14.358) 17.327 3.688 ( -1.409 1.545 -5.197) 5.602 3.763 ( -3.213 5.577 -8.488) 10.652 3.850 ( 2.016 5.079 -4.433) 7.037 3.978 ( 0.807 4.717 -6.028) 7.697 4.104 ( -3.837 4.250 -7.213) 9.209 4.387 ( -5.806 1.054 -6.145) 8.520 4.548 ( 4.971 0.569 4.958) 7.044 4.643 ( 1.311 -5.001 4.713) 6.996 4.709 ( -4.363 -6.727 -0.476) 8.032 4.835 ( 8.948 1.263 5.387) 10.521 4.911 ( -0.465 -2.323 4.723) 5.284 5.002 ( 2.098 -1.103 6.670) 7.079 5.098 ( -2.763 2.454 0.615) 3.747 5.300 ( 1.708 -0.853 1.922) 2.709 5.361 ( -0.219 2.570 2.144) 3.354 5.428 ( 0.411 2.014 6.314) 6.640 5.572 ( -4.499 1.873 -4.320) 6.512 5.902 ( -0.020 -4.940 2.823) 5.690 5.910 ( -0.253 -5.188 -4.049) 6.586 6.008 ( 1.694 -1.325 0.161) 2.157 6.067 ( -1.577 -1.079 0.077) 1.913 6.146 ( -2.252 -2.251 4.818) 5.775 6.160 ( -4.021 -2.804 -2.385) 5.451 6.694 ( 9.406 1.241 2.469) 9.804 6.975 ( -4.565 0.842 7.600) 8.905 7.176 ( 4.487 -4.255 7.582) 9.784 7.432 ( -7.726 -4.273 1.393) 8.938 9.115 ( 14.095 14.206 -12.883) 23.800 9.860 ( -19.753 7.945 -16.144) 26.719 9.940 ( 26.359 -0.570 10.507) 28.382 10.024 ( 26.877 2.403 20.712) 34.016 11.007 ( -21.011 -3.211 10.522) 23.717 11.031 ( -20.694 -0.109 14.101) 25.042 11.432 ( 1.251 -22.519 0.403) 22.558 11.486 ( -1.208 -19.263 -0.017) 19.301 13.294 ( 0.581 11.090 -11.273) 15.824 13.338 ( -1.283 11.685 -5.791) 13.104 13.445 ( 11.771 2.624 -3.033) 12.435 13.797 ( -5.714 0.041 -3.542) 6.723 ======================= Grid point 76 (30/100) ======================= q-point: (-0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -2.574 -7.571 -1.230) 8.091 1.457 ( 2.574 -7.571 -1.230) 8.091 1.621 ( -3.955 0.203 -4.246) 5.806 1.621 ( 3.955 0.203 -4.246) 5.806 1.937 ( -6.319 -2.687 5.630) 8.879 1.937 ( 6.319 -2.687 5.630) 8.879 1.996 ( -5.001 -2.658 -6.763) 8.822 1.996 ( 5.001 -2.658 -6.763) 8.822 2.243 ( -2.049 -1.245 -0.687) 2.494 2.243 ( 2.049 -1.245 -0.687) 2.494 2.560 ( -2.194 -1.899 4.881) 5.679 2.560 ( 2.194 -1.899 4.881) 5.679 2.677 ( -4.072 9.935 4.700) 11.721 2.677 ( 4.072 9.935 4.700) 11.721 3.025 ( -5.311 -1.963 -0.400) 5.676 3.025 ( 5.311 -1.963 -0.400) 5.676 3.187 ( -8.518 -4.614 -13.669) 16.754 3.187 ( 8.518 -4.614 -13.669) 16.754 3.392 ( -7.913 4.847 4.593) 10.354 3.392 ( 7.913 4.847 4.593) 10.354 3.604 ( -6.943 10.238 -12.015) 17.245 3.604 ( 6.943 10.238 -12.015) 17.245 3.813 ( -6.199 2.747 -6.939) 9.702 3.813 ( 6.199 2.747 -6.939) 9.702 3.987 ( -3.210 4.503 -3.423) 6.503 3.987 ( 3.210 4.503 -3.423) 6.503 4.443 ( -9.290 2.146 -10.535) 14.209 4.443 ( 9.290 2.146 -10.535) 14.209 4.680 ( -1.875 -6.317 8.221) 10.536 4.680 ( 1.875 -6.317 8.221) 10.536 4.916 ( -1.807 -2.291 4.671) 5.507 4.916 ( 1.807 -2.291 4.671) 5.507 5.055 ( -2.902 1.194 4.647) 5.608 5.055 ( 2.902 1.194 4.647) 5.608 5.346 ( -1.773 -0.430 2.727) 3.281 5.346 ( 1.773 -0.430 2.727) 3.281 5.475 ( -4.339 4.804 2.060) 6.793 5.475 ( 4.339 4.804 2.060) 6.793 5.900 ( -0.732 -5.493 2.203) 5.964 5.900 ( 0.732 -5.493 2.203) 5.964 6.049 ( -1.698 -1.115 -2.262) 3.040 6.049 ( 1.698 -1.115 -2.262) 3.040 6.111 ( -0.464 -2.861 3.224) 4.335 6.111 ( 0.464 -2.861 3.224) 4.335 6.863 ( -6.925 -0.020 4.167) 8.082 6.863 ( 6.925 -0.020 4.167) 8.082 7.285 ( -6.473 -3.716 4.566) 8.750 7.285 ( 6.473 -3.716 4.566) 8.750 9.446 ( -18.695 12.075 -15.667) 27.217 9.446 ( 18.695 12.075 -15.667) 27.217 10.509 ( -23.816 -2.534 11.522) 26.577 10.509 ( 23.816 -2.534 11.522) 26.577 10.565 ( -22.094 1.395 18.374) 28.770 10.565 ( 22.094 1.395 18.374) 28.770 11.459 ( -1.382 -21.298 0.151) 21.343 11.459 ( 1.382 -21.298 0.151) 21.343 13.313 ( -1.185 11.477 -8.848) 14.540 13.313 ( 1.185 11.477 -8.848) 14.540 13.653 ( -8.690 1.067 -4.144) 9.686 13.653 ( 8.690 1.067 -4.144) 9.686 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 0.000 15.606 8.130) 17.596 0.952 ( 0.000 16.509 11.558) 20.153 1.391 ( 0.000 -9.691 8.634) 12.979 1.591 ( 0.000 -13.935 7.116) 15.647 1.662 ( 0.000 10.689 7.722) 13.187 1.897 ( 0.000 -9.293 -4.508) 10.329 1.970 ( 0.000 19.559 5.225) 20.245 2.292 ( 0.000 -4.692 -3.185) 5.671 2.317 ( 0.000 -2.590 -3.950) 4.723 2.508 ( 0.000 2.584 -12.846) 13.103 2.693 ( 0.000 4.023 -5.675) 6.957 2.748 ( 0.000 0.512 -0.962) 1.090 2.826 ( 0.000 10.783 -8.534) 13.751 2.901 ( 0.000 -2.392 -1.494) 2.821 3.017 ( 0.000 6.135 -3.117) 6.882 3.195 ( 0.000 5.287 -1.882) 5.613 3.207 ( 0.000 1.541 -10.680) 10.791 3.274 ( 0.000 -7.588 6.335) 9.884 3.441 ( 0.000 -5.900 3.826) 7.032 3.464 ( 0.000 13.391 2.087) 13.553 3.565 ( 0.000 -6.775 -3.324) 7.546 3.625 ( 0.000 0.817 -11.942) 11.970 3.626 ( 0.000 -2.682 7.979) 8.417 3.789 ( 0.000 3.888 0.408) 3.909 3.881 ( 0.000 -7.754 -1.044) 7.824 3.909 ( 0.000 1.205 11.332) 11.396 3.931 ( 0.000 -4.842 9.350) 10.529 4.353 ( 0.000 -3.637 6.406) 7.367 4.571 ( 0.000 4.457 1.503) 4.704 4.600 ( 0.000 -0.928 6.640) 6.705 4.689 ( 0.000 -4.842 -2.950) 5.670 4.740 ( 0.000 -3.667 -0.090) 3.668 5.022 ( 0.000 6.951 -9.464) 11.743 5.203 ( 0.000 -3.176 -9.416) 9.937 5.368 ( 0.000 10.028 3.656) 10.674 5.397 ( 0.000 7.867 1.879) 8.088 5.543 ( 0.000 4.185 0.356) 4.200 5.720 ( 0.000 -1.961 -2.207) 2.952 5.828 ( 0.000 -3.248 -3.454) 4.741 5.915 ( 0.000 -11.604 2.714) 11.917 6.036 ( 0.000 0.433 -5.943) 5.959 6.056 ( 0.000 -0.661 -5.436) 5.476 6.140 ( 0.000 -0.361 -3.526) 3.544 6.279 ( 0.000 -6.460 -5.494) 8.480 6.473 ( 0.000 8.188 8.032) 11.470 6.807 ( 0.000 -7.923 10.479) 13.137 7.449 ( 0.000 -3.130 4.794) 5.725 7.503 ( 0.000 -4.870 -1.912) 5.232 8.741 ( 0.000 0.572 15.132) 15.142 8.765 ( 0.000 -0.562 15.501) 15.512 9.447 ( 0.000 31.757 3.649) 31.966 10.799 ( 0.000 -34.536 1.378) 34.564 11.281 ( 0.000 3.324 -20.846) 21.110 11.324 ( 0.000 0.675 -8.592) 8.619 11.368 ( 0.000 -0.399 -7.758) 7.768 11.452 ( 0.000 -4.807 -9.846) 10.956 12.988 ( 0.000 10.417 15.399) 18.592 13.377 ( 0.000 -7.072 6.233) 9.426 13.637 ( 0.000 11.611 -0.195) 11.612 13.917 ( 0.000 -3.193 -0.642) 3.257 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.12 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 7.486 14.553 6.234) 17.512 1.046 ( 7.387 15.684 5.377) 18.152 1.431 ( 4.067 -9.956 6.262) 12.445 1.651 ( 4.084 -13.162 4.648) 14.544 1.773 ( 8.554 -0.004 6.835) 10.950 1.891 ( 0.125 -7.803 -2.743) 8.272 2.003 ( 2.683 16.909 3.678) 17.511 2.225 ( -4.510 5.515 1.163) 7.218 2.329 ( -0.959 -5.736 -5.710) 8.150 2.476 ( -5.349 3.832 -12.158) 13.824 2.632 ( -8.211 1.533 0.291) 8.358 2.663 ( 2.949 2.605 -4.397) 5.901 2.742 ( -7.814 6.295 -1.714) 10.180 2.841 ( -3.805 -2.261 -4.153) 6.069 3.015 ( -6.853 2.058 -1.042) 7.231 3.114 ( -1.870 3.347 -7.342) 8.283 3.145 ( -11.785 -2.329 5.114) 13.056 3.301 ( 0.253 3.981 -6.859) 7.935 3.344 ( -2.304 -7.485 -6.671) 10.288 3.490 ( -1.097 2.023 3.023) 3.800 3.511 ( 5.998 8.283 1.112) 10.287 3.560 ( 3.767 2.774 2.172) 5.158 3.695 ( -2.093 -0.261 -3.461) 4.054 3.805 ( -0.507 -0.081 -0.050) 0.516 3.984 ( 8.046 -5.839 -2.950) 10.369 4.070 ( 14.376 -0.209 9.800) 17.400 4.165 ( 16.183 -2.901 10.217) 19.357 4.321 ( -4.024 -6.424 9.183) 11.907 4.508 ( 0.364 5.522 -0.892) 5.606 4.655 ( -0.110 1.529 -2.013) 2.531 4.686 ( 2.548 1.947 2.630) 4.147 4.846 ( 5.045 -3.016 2.383) 6.342 5.070 ( 4.313 -0.403 -9.484) 10.426 5.164 ( -4.743 -2.606 -9.858) 11.245 5.317 ( -2.689 6.725 3.063) 7.863 5.409 ( 0.993 5.092 2.335) 5.689 5.543 ( 0.198 2.970 -0.080) 2.978 5.617 ( -9.131 -4.701 -1.040) 10.323 5.843 ( 2.594 -1.770 -1.095) 3.326 5.956 ( -0.999 -4.156 -6.571) 7.839 5.999 ( -2.343 -0.787 -3.961) 4.669 6.037 ( -0.117 -2.988 1.581) 3.382 6.126 ( -1.281 -1.301 -3.288) 3.761 6.243 ( -3.221 -6.047 -4.862) 8.402 6.520 ( 4.192 8.112 7.455) 11.788 6.856 ( 4.296 -7.938 9.897) 13.395 7.327 ( -8.119 2.447 4.719) 9.705 7.519 ( -1.370 -7.510 -0.192) 7.636 8.863 ( 11.444 3.009 10.553) 15.855 8.926 ( 15.355 -0.987 14.284) 20.995 9.509 ( 6.292 28.927 6.370) 30.281 10.810 ( 0.980 -33.767 1.246) 33.804 10.938 ( -20.759 5.098 -18.495) 28.267 11.203 ( -8.864 -9.585 -9.177) 15.958 11.476 ( 1.182 0.584 -2.555) 2.875 11.513 ( -0.006 -1.148 -2.128) 2.418 13.080 ( 8.483 9.212 9.184) 15.530 13.389 ( 1.230 -3.627 0.872) 3.928 13.628 ( -0.888 11.533 -0.819) 11.596 13.903 ( -1.390 -3.046 -1.134) 3.535 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 10.807 10.109 2.029) 14.937 1.206 ( 7.873 12.596 1.165) 14.900 1.530 ( 4.563 -10.089 2.407) 11.331 1.704 ( 1.484 -8.566 1.119) 8.765 1.860 ( -4.027 -7.244 -1.391) 8.404 1.891 ( 0.592 -6.510 1.399) 6.685 1.998 ( -2.204 0.668 0.397) 2.337 2.189 ( -9.037 -1.293 -4.260) 10.074 2.255 ( 4.973 3.106 -3.189) 6.674 2.400 ( -5.513 -2.313 0.471) 5.997 2.495 ( -6.491 4.747 1.639) 8.207 2.626 ( 1.954 7.673 2.803) 8.399 2.738 ( 2.107 6.277 -4.950) 8.267 2.772 ( -2.083 -4.781 -4.807) 7.093 2.906 ( -3.253 4.333 -4.144) 6.821 2.932 ( -3.833 -2.155 2.095) 4.871 3.088 ( 1.110 3.965 1.367) 4.338 3.268 ( -2.309 0.454 -10.041) 10.313 3.404 ( 4.209 -1.531 -6.119) 7.583 3.474 ( -0.910 13.607 -0.484) 13.646 3.571 ( 0.642 3.001 -2.343) 3.861 3.640 ( 0.165 -0.600 0.270) 0.679 3.730 ( 8.286 3.590 -5.763) 10.712 3.896 ( 7.989 -8.572 8.759) 14.629 4.077 ( -1.443 5.544 -1.641) 5.959 4.165 ( -0.708 -0.367 -9.035) 9.070 4.418 ( 11.415 4.610 7.234) 14.278 4.458 ( 9.278 -0.679 4.536) 10.350 4.522 ( 0.776 -7.347 5.742) 9.357 4.610 ( -3.540 -1.549 1.901) 4.306 4.769 ( 5.041 7.792 0.906) 9.324 4.918 ( 2.827 -0.410 4.655) 5.461 5.018 ( -7.975 0.221 -7.534) 10.973 5.143 ( 2.179 -0.873 -3.490) 4.206 5.290 ( -0.921 0.275 0.018) 0.962 5.418 ( -3.658 -0.897 1.368) 4.007 5.458 ( -1.573 -0.426 2.619) 3.085 5.558 ( 1.403 -1.291 -1.006) 2.156 5.858 ( -2.100 -1.530 -6.253) 6.771 5.891 ( -3.291 -0.972 -4.133) 5.372 5.961 ( -0.753 -1.355 1.443) 2.118 6.043 ( -0.900 -4.708 4.651) 6.679 6.102 ( -1.011 -3.304 -2.969) 4.556 6.162 ( -4.552 -5.546 -3.177) 7.847 6.629 ( 6.467 7.889 6.353) 12.017 6.956 ( 5.210 -7.557 8.605) 12.582 7.170 ( -7.034 5.662 5.865) 10.767 7.447 ( -5.282 -7.631 0.997) 9.334 9.151 ( 15.680 11.188 -1.410) 19.313 9.343 ( 24.925 -2.043 11.791) 27.649 9.718 ( 15.045 19.183 14.420) 28.324 10.505 ( -21.048 9.865 -17.563) 29.134 10.846 ( 2.262 -32.073 1.688) 32.197 11.035 ( -8.306 -17.976 -7.548) 21.192 11.370 ( -11.081 0.613 8.290) 13.852 11.411 ( -9.571 -1.533 7.086) 12.007 13.288 ( 11.142 6.245 0.159) 12.774 13.426 ( 2.241 2.187 -6.151) 6.902 13.603 ( -1.554 11.219 -2.506) 11.600 13.861 ( -2.857 -2.583 -2.349) 4.512 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.38 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 5.411 3.816 1.337) 6.755 1.342 ( 5.094 6.470 0.289) 8.240 1.567 ( -1.176 -8.241 -4.209) 9.328 1.726 ( 1.710 -3.794 3.498) 5.436 1.770 ( -8.065 -8.403 -4.889) 12.632 1.845 ( 0.837 -7.898 3.946) 8.869 1.911 ( -4.288 -2.695 0.669) 5.109 2.055 ( -8.343 -7.922 3.193) 11.939 2.246 ( 1.354 4.361 -3.395) 5.690 2.361 ( -0.159 7.413 -0.659) 7.444 2.472 ( 3.246 -2.474 -1.257) 4.270 2.630 ( -3.754 1.745 -3.720) 5.566 2.729 ( 0.150 7.273 -2.335) 7.640 2.796 ( 0.805 -6.164 -3.623) 7.195 2.919 ( 1.501 -5.667 -6.260) 8.577 2.970 ( 8.000 9.851 -2.748) 12.984 3.130 ( -1.341 -4.459 -9.785) 10.837 3.302 ( 3.913 15.730 5.068) 16.983 3.411 ( 4.382 9.778 4.286) 11.540 3.470 ( -0.231 -3.847 -1.530) 4.146 3.569 ( -4.644 2.656 -1.774) 5.636 3.717 ( 9.580 5.357 -12.444) 16.593 3.865 ( 4.649 -1.618 -8.457) 9.785 4.014 ( -1.415 10.373 -1.217) 10.540 4.058 ( 3.511 -5.684 0.759) 6.724 4.141 ( -3.259 7.783 -10.341) 13.347 4.369 ( -7.563 -2.916 -4.703) 9.371 4.501 ( -2.389 -10.572 6.038) 12.406 4.629 ( 4.023 4.310 6.907) 9.081 4.640 ( 2.663 3.974 4.671) 6.686 4.853 ( 0.214 -0.363 -0.488) 0.645 4.884 ( 0.832 -0.347 5.703) 5.774 5.002 ( 3.428 3.007 2.045) 4.998 5.140 ( -2.659 2.602 0.044) 3.721 5.290 ( 1.827 -0.900 -0.259) 2.053 5.357 ( -1.300 -3.866 2.070) 4.574 5.487 ( 2.891 3.383 3.048) 5.394 5.593 ( 1.350 -0.606 -1.519) 2.121 5.801 ( -2.578 -4.186 -0.509) 4.943 5.831 ( -2.767 -3.560 -2.318) 5.070 5.959 ( 0.450 -2.641 3.534) 4.435 6.016 ( -0.997 -3.669 1.286) 4.014 6.066 ( -3.460 -5.160 -2.533) 6.709 6.074 ( -3.105 -4.268 2.442) 5.816 6.772 ( 7.424 6.491 5.001) 11.057 7.038 ( -4.887 5.162 5.879) 9.224 7.067 ( 4.436 -6.294 6.497) 10.075 7.322 ( -6.776 -6.881 2.615) 10.005 9.457 ( 14.647 19.307 -11.014) 26.619 9.882 ( 26.823 -3.596 8.411) 28.340 10.098 ( -0.359 11.930 -0.440) 11.944 10.121 ( 5.770 10.968 4.847) 13.307 10.824 ( -14.016 -17.044 -3.464) 22.338 10.900 ( 1.901 -26.680 3.270) 26.947 11.063 ( -17.809 -0.607 13.912) 22.607 11.181 ( -11.180 -8.878 9.604) 17.206 13.474 ( 2.634 6.417 -8.133) 10.690 13.501 ( 9.277 3.119 -4.296) 10.688 13.567 ( -1.828 10.317 -4.712) 11.489 13.786 ( -4.667 -1.591 -3.782) 6.214 ======================= Grid point 85 (35/100) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -3.104 -0.930 0.423) 3.268 1.362 ( 3.104 -0.930 0.423) 3.268 1.592 ( -6.216 -4.780 -3.951) 8.780 1.592 ( 6.216 -4.780 -3.951) 8.780 1.823 ( -5.856 -5.503 6.434) 10.294 1.823 ( 5.856 -5.503 6.434) 10.294 1.906 ( -3.970 -5.466 -0.324) 6.763 1.906 ( 3.970 -5.466 -0.324) 6.763 2.321 ( -4.190 7.454 -2.316) 8.859 2.321 ( 4.190 7.454 -2.316) 8.859 2.552 ( -4.107 0.092 -1.288) 4.306 2.552 ( 4.107 0.092 -1.288) 4.306 2.757 ( -2.973 0.408 -2.138) 3.684 2.757 ( 2.973 0.408 -2.138) 3.684 2.999 ( -4.696 -7.068 -13.250) 15.734 2.999 ( 4.696 -7.068 -13.250) 15.734 3.205 ( -8.378 10.641 -0.489) 13.552 3.205 ( 8.378 10.641 -0.489) 13.552 3.476 ( -2.035 1.231 0.907) 2.546 3.476 ( 2.035 1.231 0.907) 2.546 3.715 ( -15.756 6.243 0.185) 16.949 3.715 ( 15.756 6.243 0.185) 16.949 3.952 ( -10.475 5.730 -14.730) 18.961 3.952 ( 10.475 5.730 -14.730) 18.961 4.063 ( -5.098 4.274 -3.197) 7.381 4.063 ( 5.098 4.274 -3.197) 7.381 4.392 ( -7.083 -9.827 0.505) 12.124 4.392 ( 7.083 -9.827 0.505) 12.124 4.655 ( -1.056 6.880 5.081) 8.618 4.655 ( 1.056 6.880 5.081) 8.618 4.887 ( -2.354 -1.904 6.665) 7.321 4.887 ( 2.354 -1.904 6.665) 7.321 5.074 ( -3.512 2.600 -0.105) 4.371 5.074 ( 3.512 2.600 -0.105) 4.371 5.330 ( -1.703 -2.824 0.599) 3.352 5.330 ( 1.703 -2.824 0.599) 3.352 5.569 ( -3.943 4.853 1.610) 6.457 5.569 ( 3.943 4.853 1.610) 6.457 5.784 ( -1.309 -6.695 1.189) 6.925 5.784 ( 1.309 -6.695 1.189) 6.925 5.991 ( -2.702 -3.974 1.041) 4.917 5.991 ( 2.702 -3.974 1.041) 4.917 6.027 ( -1.620 -4.365 1.693) 4.954 6.027 ( 1.620 -4.365 1.693) 4.954 6.915 ( -6.609 5.468 4.869) 9.864 6.915 ( 6.609 5.468 4.869) 9.864 7.186 ( -6.519 -6.442 4.609) 10.258 7.186 ( 6.519 -6.442 4.609) 10.258 9.758 ( -15.634 19.493 -14.078) 28.681 9.758 ( 15.634 19.493 -14.078) 28.681 10.417 ( -22.100 -8.102 4.359) 23.938 10.417 ( 22.100 -8.102 4.359) 23.938 10.606 ( -21.597 3.186 18.556) 28.651 10.606 ( 21.597 3.186 18.556) 28.651 11.012 ( -5.781 -22.020 4.817) 23.270 11.012 ( 5.781 -22.020 4.817) 23.270 13.522 ( -2.281 9.036 -7.123) 11.730 13.522 ( 2.281 9.036 -7.123) 11.730 13.669 ( -6.965 0.205 -4.722) 8.417 13.669 ( 6.965 0.205 -4.722) 8.417 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.000 -11.133 6.060) 12.676 1.123 ( 0.000 11.133 6.060) 12.676 1.306 ( 0.000 -13.367 9.946) 16.661 1.306 ( 0.000 13.367 9.946) 16.661 1.756 ( 0.000 -4.950 -1.575) 5.194 1.756 ( 0.000 4.950 -1.575) 5.194 2.253 ( 0.000 -0.404 -3.635) 3.658 2.253 ( 0.000 0.404 -3.635) 3.658 2.429 ( 0.000 -14.689 -4.126) 15.258 2.429 ( 0.000 14.689 -4.126) 15.258 2.734 ( 0.000 -1.475 -2.149) 2.607 2.734 ( 0.000 1.475 -2.149) 2.607 2.900 ( 0.000 -3.154 -3.287) 4.555 2.900 ( 0.000 3.154 -3.287) 4.555 3.084 ( 0.000 -0.464 1.783) 1.843 3.084 ( 0.000 0.464 1.783) 1.843 3.259 ( 0.000 -6.449 -6.118) 8.889 3.259 ( 0.000 6.449 -6.118) 8.889 3.455 ( 0.000 -7.124 -5.428) 8.956 3.455 ( 0.000 7.124 -5.428) 8.956 3.583 ( 0.000 -3.238 2.402) 4.032 3.583 ( 0.000 3.238 2.402) 4.032 3.721 ( 0.000 -7.058 -4.284) 8.257 3.721 ( 0.000 7.058 -4.284) 8.257 3.888 ( 0.000 -1.988 14.880) 15.012 3.888 ( 0.000 1.988 14.880) 15.012 4.070 ( 0.000 -18.381 6.482) 19.491 4.070 ( 0.000 18.381 6.482) 19.491 4.613 ( 0.000 -0.579 0.335) 0.669 4.613 ( 0.000 0.579 0.335) 0.669 4.687 ( 0.000 -1.573 1.316) 2.051 4.687 ( 0.000 1.573 1.316) 2.051 5.128 ( 0.000 -4.577 -9.852) 10.863 5.128 ( 0.000 4.577 -9.852) 10.863 5.532 ( 0.000 -3.133 -0.124) 3.136 5.532 ( 0.000 3.133 -0.124) 3.136 5.598 ( 0.000 -9.904 1.993) 10.103 5.598 ( 0.000 9.904 1.993) 10.103 5.789 ( 0.000 -0.350 -0.901) 0.966 5.789 ( 0.000 0.350 -0.901) 0.966 6.043 ( 0.000 -0.470 -6.073) 6.091 6.043 ( 0.000 0.470 -6.073) 6.091 6.170 ( 0.000 -3.880 -3.480) 5.212 6.170 ( 0.000 3.880 -3.480) 5.212 6.641 ( 0.000 -9.001 9.112) 12.808 6.641 ( 0.000 9.001 9.112) 12.808 7.438 ( 0.000 -1.623 0.614) 1.735 7.438 ( 0.000 1.623 0.614) 1.735 8.753 ( 0.000 -0.654 15.318) 15.332 8.753 ( 0.000 0.654 15.318) 15.332 10.110 ( 0.000 -36.126 2.392) 36.206 10.110 ( 0.000 36.126 2.392) 36.206 11.329 ( 0.000 -0.736 -12.279) 12.301 11.329 ( 0.000 0.736 -12.279) 12.301 11.379 ( 0.000 -2.436 -11.902) 12.148 11.379 ( 0.000 2.436 -11.902) 12.148 13.198 ( 0.000 -10.820 11.366) 15.693 13.198 ( 0.000 10.820 11.366) 15.693 13.819 ( 0.000 -7.206 -0.385) 7.216 13.819 ( 0.000 7.206 -0.385) 7.216 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 5.566 -12.237 4.996) 14.342 1.179 ( 5.566 12.237 4.996) 14.342 1.373 ( 5.191 -14.371 5.374) 16.197 1.373 ( 5.191 14.371 5.374) 16.197 1.779 ( 2.196 -2.868 0.485) 3.645 1.779 ( 2.196 2.868 0.485) 3.645 2.204 ( -4.182 -6.032 -4.687) 8.709 2.204 ( -4.182 6.032 -4.687) 8.709 2.450 ( -2.786 -8.947 -4.076) 10.218 2.450 ( -2.786 8.947 -4.076) 10.218 2.672 ( -1.201 -3.372 -0.957) 3.705 2.672 ( -1.201 3.372 -0.957) 3.705 2.819 ( -6.796 -0.692 -3.114) 7.507 2.819 ( -6.796 0.692 -3.114) 7.507 3.042 ( -4.676 -4.137 4.519) 7.708 3.042 ( -4.676 4.137 4.519) 7.708 3.192 ( -5.296 -4.654 -5.966) 9.235 3.192 ( -5.296 4.654 -5.966) 9.235 3.383 ( 1.980 -5.780 -2.762) 6.705 3.383 ( 1.980 5.780 -2.762) 6.705 3.660 ( 1.110 -2.880 -3.618) 4.756 3.660 ( 1.110 2.880 -3.618) 4.756 3.788 ( 5.243 -10.121 -3.176) 11.833 3.788 ( 5.243 10.121 -3.176) 11.833 4.005 ( 0.448 -14.680 5.813) 15.795 4.005 ( 0.448 14.680 5.813) 15.795 4.129 ( 15.803 -1.432 14.647) 21.595 4.129 ( 15.803 1.432 14.647) 21.595 4.614 ( -2.636 -5.113 0.647) 5.788 4.614 ( -2.636 5.113 0.647) 5.788 4.772 ( 8.312 -4.858 -1.090) 9.689 4.772 ( 8.312 4.858 -1.090) 9.689 5.103 ( -2.352 -3.061 -9.147) 9.928 5.103 ( -2.352 3.061 -9.147) 9.928 5.471 ( -7.071 -7.182 1.495) 10.189 5.471 ( -7.071 7.182 1.495) 10.189 5.535 ( -1.801 -3.486 0.620) 3.973 5.535 ( -1.801 3.486 0.620) 3.973 5.856 ( 3.429 -3.324 -2.095) 5.215 5.856 ( 3.429 3.324 -2.095) 5.215 6.009 ( -2.829 -0.821 -2.985) 4.194 6.009 ( -2.829 0.821 -2.985) 4.194 6.141 ( -2.472 -3.356 -3.534) 5.465 6.141 ( -2.472 3.356 -3.534) 5.465 6.689 ( 4.298 -9.083 8.633) 13.248 6.689 ( 4.298 9.083 8.633) 13.248 7.398 ( -3.745 -4.990 1.461) 6.407 7.398 ( -3.745 4.990 1.461) 6.407 8.902 ( 14.266 -1.486 13.267) 19.538 8.902 ( 14.266 1.486 13.267) 19.538 10.137 ( 2.711 -35.005 2.952) 35.234 10.137 ( 2.711 35.005 2.952) 35.234 11.052 ( -16.304 -6.660 -14.698) 22.939 11.052 ( -16.304 6.660 -14.698) 22.939 11.492 ( 0.716 -1.010 -2.433) 2.730 11.492 ( 0.716 1.010 -2.433) 2.730 13.261 ( 5.670 -8.854 5.758) 11.987 13.261 ( 5.670 8.854 5.758) 11.987 13.808 ( -1.107 -7.074 -0.929) 7.220 13.808 ( -1.107 7.074 -0.929) 7.220 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 6.654 -10.660 3.025) 12.925 1.316 ( 6.654 10.660 3.025) 12.925 1.479 ( 5.105 -13.634 0.100) 14.558 1.479 ( 5.105 13.634 0.100) 14.558 1.795 ( -2.589 -1.141 1.445) 3.177 1.795 ( -2.589 1.141 1.445) 3.177 2.084 ( -7.298 -6.408 -2.296) 9.980 2.084 ( -7.298 6.408 -2.296) 9.980 2.335 ( -3.947 -3.915 -4.224) 6.982 2.335 ( -3.947 3.915 -4.224) 6.982 2.616 ( -5.339 -6.655 -0.960) 8.586 2.616 ( -5.339 6.655 -0.960) 8.586 2.780 ( 2.018 -5.610 0.226) 5.966 2.780 ( 2.018 5.610 0.226) 5.966 2.966 ( -2.309 -6.558 -5.398) 8.802 2.966 ( -2.309 6.558 -5.398) 8.802 3.149 ( 2.084 -7.202 -4.549) 8.770 3.149 ( 2.084 7.202 -4.549) 8.770 3.487 ( 6.346 -7.831 0.021) 10.080 3.487 ( 6.346 7.831 0.021) 10.080 3.689 ( 2.488 -4.799 -1.377) 5.578 3.689 ( 2.488 4.799 -1.377) 5.578 3.767 ( -3.530 -4.182 2.319) 5.944 3.767 ( -3.530 4.182 2.319) 5.944 4.142 ( 9.175 -2.620 -5.114) 10.825 4.142 ( 9.175 2.620 -5.114) 10.825 4.431 ( 8.193 -0.920 7.760) 11.322 4.431 ( 8.193 0.920 7.760) 11.322 4.527 ( -1.719 -5.427 4.990) 7.570 4.527 ( -1.719 5.427 4.990) 7.570 4.894 ( 0.731 -3.443 -1.436) 3.801 4.894 ( 0.731 3.443 -1.436) 3.801 5.078 ( 2.300 -5.660 -6.287) 8.767 5.078 ( 2.300 5.660 -6.287) 8.767 5.338 ( -5.262 -4.657 2.130) 7.342 5.338 ( -5.262 4.657 2.130) 7.342 5.511 ( -0.406 -4.056 1.195) 4.248 5.511 ( -0.406 4.056 1.195) 4.248 5.859 ( -3.076 -1.554 -6.303) 7.183 5.859 ( -3.076 1.554 -6.303) 7.183 5.971 ( -0.785 -2.289 4.646) 5.238 5.971 ( -0.785 2.289 4.646) 5.238 6.083 ( -3.096 -1.712 -3.032) 4.659 6.083 ( -3.096 1.712 -3.032) 4.659 6.794 ( 5.819 -8.862 7.555) 13.018 6.794 ( 5.819 8.862 7.555) 13.018 7.300 ( -5.683 -7.437 2.890) 9.796 7.300 ( -5.683 7.437 2.890) 9.796 9.287 ( 22.670 -4.153 8.032) 24.407 9.287 ( 22.670 4.153 8.032) 24.407 10.222 ( 5.931 -31.036 5.071) 32.001 10.222 ( 5.931 31.036 5.071) 32.001 10.733 ( -14.912 -13.501 -13.385) 24.162 10.733 ( -14.912 13.501 -13.385) 24.162 11.387 ( -10.659 -1.082 7.885) 13.303 11.387 ( -10.659 1.082 7.885) 13.303 13.397 ( 7.218 -4.366 -2.333) 8.753 13.397 ( 7.218 4.366 -2.333) 8.753 13.775 ( -2.159 -6.589 -2.364) 7.326 13.775 ( -2.159 6.589 -2.364) 7.326 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 1.821 -8.194 1.689) 8.562 1.402 ( 1.821 8.194 1.689) 8.562 1.527 ( -2.929 -11.926 -1.485) 12.370 1.527 ( -2.929 11.926 -1.485) 12.370 1.729 ( 0.825 -3.280 2.345) 4.116 1.729 ( 0.825 3.280 2.345) 4.116 1.938 ( -6.734 -4.042 1.491) 7.994 1.938 ( -6.734 4.042 1.491) 7.994 2.355 ( 4.971 -5.919 -3.471) 8.473 2.355 ( 4.971 5.919 -3.471) 8.473 2.550 ( -2.298 -8.420 -1.165) 8.805 2.550 ( -2.298 8.420 -1.165) 8.805 2.796 ( 0.803 -5.625 -5.673) 8.029 2.796 ( 0.803 5.625 -5.673) 8.029 2.916 ( -3.347 -9.678 -9.526) 13.986 2.916 ( -3.347 9.678 -9.526) 13.986 3.251 ( 6.850 -11.370 -4.084) 13.888 3.251 ( 6.850 11.370 -4.084) 13.888 3.546 ( -4.619 -5.743 0.483) 7.386 3.546 ( -4.619 5.743 0.483) 7.386 3.718 ( 7.309 -13.504 7.322) 17.012 3.718 ( 7.309 13.504 7.322) 17.012 3.847 ( 7.726 -5.923 -7.538) 12.312 3.847 ( 7.726 5.923 -7.538) 12.312 4.242 ( -1.373 -5.926 -10.924) 12.503 4.242 ( -1.373 5.926 -10.924) 12.503 4.310 ( -8.275 -2.584 2.092) 8.918 4.310 ( -8.275 2.584 2.092) 8.918 4.693 ( 8.129 -1.246 9.919) 12.885 4.693 ( 8.129 1.246 9.919) 12.885 4.853 ( -2.094 -1.777 3.436) 4.399 4.853 ( -2.094 1.777 3.436) 4.399 5.155 ( 2.989 -7.844 -3.951) 9.277 5.155 ( 2.989 7.844 -3.951) 9.277 5.257 ( -3.195 -3.172 0.416) 4.521 5.257 ( -3.195 3.172 0.416) 4.521 5.544 ( 4.241 -3.064 2.684) 5.880 5.544 ( 4.241 3.064 2.684) 5.880 5.777 ( -4.736 -1.450 -2.748) 5.664 5.777 ( -4.736 1.450 -2.748) 5.664 5.953 ( -0.683 -2.133 3.946) 4.537 5.953 ( -0.683 2.133 3.946) 4.537 6.020 ( -3.122 -0.693 -0.418) 3.226 6.020 ( -3.122 0.693 -0.418) 3.226 6.917 ( 6.359 -8.029 6.054) 11.897 6.917 ( 6.359 8.029 6.054) 11.897 7.178 ( -6.339 -7.818 3.922) 10.803 7.178 ( -6.339 7.818 3.922) 10.803 9.759 ( 22.587 -10.426 -0.479) 24.882 9.759 ( 22.587 10.426 -0.479) 24.882 10.370 ( 4.420 -13.242 4.142) 14.562 10.370 ( 4.420 13.242 4.142) 14.562 10.471 ( -6.470 -10.793 -5.679) 13.806 10.471 ( -6.470 10.793 -5.679) 13.806 11.091 ( -17.897 -2.511 14.199) 22.983 11.091 ( -17.897 2.511 14.199) 22.983 13.534 ( 6.147 -0.275 -5.770) 8.435 13.534 ( 6.147 0.275 -5.770) 8.435 13.721 ( -3.263 -5.500 -4.198) 7.650 13.721 ( -3.263 5.500 -4.198) 7.650 ======================= Grid point 98 (40/100) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -3.125 -8.118 0.477) 8.712 1.438 ( 3.081 -8.114 0.477) 8.692 1.438 ( -3.081 8.114 0.477) 8.692 1.438 ( 3.125 8.118 0.477) 8.712 1.816 ( -5.624 -3.315 2.146) 6.872 1.816 ( 4.762 -2.958 2.146) 6.003 1.816 ( -4.762 2.958 2.146) 6.003 1.816 ( 5.624 3.315 2.146) 6.872 2.474 ( -5.471 -7.387 -1.487) 9.312 2.474 ( 5.224 -7.342 -1.487) 9.133 2.474 ( -5.224 7.342 -1.487) 9.133 2.474 ( 5.471 7.387 -1.487) 9.312 2.841 ( -3.437 -7.759 -9.655) 12.855 2.841 ( 3.330 -7.748 -9.655) 12.820 2.841 ( -3.330 7.748 -9.655) 12.820 2.841 ( 3.437 7.759 -9.655) 12.855 3.402 ( -7.880 -7.892 -2.898) 11.523 3.402 ( 7.880 -7.892 -2.898) 11.523 3.402 ( -7.880 7.892 -2.898) 11.523 3.402 ( 7.880 7.892 -2.898) 11.523 3.897 ( -5.494 -9.318 0.838) 10.849 3.897 ( 3.755 -9.099 0.838) 9.879 3.897 ( -3.755 9.099 0.838) 9.879 3.897 ( 5.494 9.318 0.838) 10.849 4.195 ( -3.457 -8.705 -5.917) 11.079 4.195 ( 3.311 -8.691 -5.917) 11.023 4.195 ( -3.311 8.691 -5.917) 11.023 4.195 ( 3.457 8.705 -5.917) 11.079 4.808 ( -2.513 -6.435 7.732) 10.369 4.808 ( 1.258 -6.343 7.732) 10.080 4.808 ( -1.258 6.343 7.732) 10.080 4.808 ( 2.513 6.435 7.732) 10.369 5.200 ( -1.439 -9.306 -2.418) 9.722 5.200 ( 1.013 -9.292 -2.418) 9.655 5.200 ( -1.013 9.292 -2.418) 9.655 5.200 ( 1.439 9.306 -2.418) 9.722 5.663 ( -5.098 -4.913 1.599) 7.259 5.663 ( -0.795 -4.219 1.599) 4.582 5.663 ( 0.795 4.219 1.599) 4.582 5.663 ( 5.098 4.913 1.599) 7.259 5.965 ( -1.951 -1.574 1.878) 3.132 5.965 ( 1.911 -1.562 1.878) 3.101 5.965 ( -1.911 1.562 1.878) 3.101 5.965 ( 1.951 1.574 1.878) 3.132 7.048 ( -6.518 -7.564 4.798) 11.078 7.048 ( 6.518 -7.564 4.798) 11.078 7.048 ( -6.518 7.564 4.798) 11.078 7.048 ( 6.518 7.564 4.798) 11.078 10.149 ( -15.702 -19.266 -9.183) 26.497 10.149 ( 14.823 -19.092 -9.183) 25.856 10.149 ( -14.823 19.092 -9.183) 25.856 10.149 ( 15.702 19.266 -9.183) 26.497 10.711 ( -17.907 -8.818 15.897) 25.517 10.711 ( -4.310 -1.493 15.897) 16.538 10.711 ( 4.310 1.493 15.897) 16.538 10.711 ( 17.907 8.818 15.897) 25.517 13.642 ( -4.581 -3.483 -5.723) 8.116 13.642 ( 4.252 -3.377 -5.723) 7.889 13.642 ( -4.252 3.377 -5.723) 7.889 13.642 ( 4.581 3.483 -5.723) 8.116 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 0.000 0.000 18.107) 18.107 0.966 ( 0.000 0.000 19.990) 19.990 1.572 ( 0.000 0.000 24.365) 24.365 1.795 ( 0.000 0.000 9.725) 9.725 2.011 ( 0.000 0.000 -8.319) 8.319 2.016 ( 0.000 0.000 8.157) 8.157 2.076 ( 0.000 0.000 9.736) 9.736 2.152 ( 0.000 0.000 -6.111) 6.111 2.202 ( 0.000 0.000 -18.558) 18.558 2.339 ( 0.000 0.000 2.032) 2.032 2.364 ( 0.000 0.000 -3.347) 3.347 2.601 ( 0.000 0.000 -15.821) 15.821 2.700 ( 0.000 0.000 -7.019) 7.019 2.798 ( 0.000 0.000 3.096) 3.096 2.859 ( 0.000 0.000 5.320) 5.320 2.984 ( 0.000 0.000 5.498) 5.498 2.991 ( 0.000 0.000 2.007) 2.007 3.014 ( 0.000 0.000 7.163) 7.163 3.352 ( 0.000 0.000 -9.931) 9.931 3.451 ( 0.000 0.000 -9.374) 9.374 3.657 ( 0.000 0.000 -9.360) 9.360 3.657 ( 0.000 0.000 -1.862) 1.862 3.836 ( 0.000 0.000 -7.430) 7.430 3.991 ( 0.000 0.000 10.042) 10.042 4.002 ( 0.000 0.000 -6.730) 6.730 4.008 ( 0.000 0.000 9.400) 9.400 4.099 ( 0.000 0.000 7.484) 7.484 4.398 ( 0.000 0.000 -4.544) 4.544 4.418 ( 0.000 0.000 5.869) 5.869 4.488 ( 0.000 0.000 13.276) 13.276 4.740 ( 0.000 0.000 4.341) 4.341 4.900 ( 0.000 0.000 -10.617) 10.617 5.039 ( 0.000 0.000 -0.408) 0.408 5.136 ( 0.000 0.000 0.157) 0.157 5.260 ( 0.000 0.000 0.649) 0.649 5.350 ( 0.000 0.000 0.378) 0.378 5.423 ( 0.000 0.000 9.434) 9.434 5.714 ( 0.000 0.000 -3.937) 3.937 5.817 ( 0.000 0.000 -3.920) 3.920 5.886 ( 0.000 0.000 -8.448) 8.448 5.922 ( 0.000 0.000 -3.652) 3.652 6.053 ( 0.000 0.000 -6.300) 6.300 6.092 ( 0.000 0.000 -2.792) 2.792 6.268 ( 0.000 0.000 -6.411) 6.411 6.490 ( 0.000 0.000 12.464) 12.464 7.208 ( 0.000 0.000 10.543) 10.543 7.546 ( 0.000 0.000 -7.016) 7.016 7.760 ( 0.000 0.000 -2.525) 2.525 8.893 ( 0.000 0.000 10.815) 10.815 9.140 ( 0.000 0.000 24.112) 24.112 9.206 ( 0.000 0.000 24.866) 24.866 10.621 ( 0.000 0.000 -28.827) 28.827 11.078 ( 0.000 0.000 -14.591) 14.591 11.154 ( 0.000 0.000 -14.594) 14.594 11.659 ( 0.000 0.000 0.792) 0.792 11.739 ( 0.000 0.000 -0.894) 0.894 13.160 ( 0.000 0.000 18.107) 18.107 13.258 ( 0.000 0.000 0.046) 0.046 13.310 ( 0.000 0.000 -0.857) 0.857 13.920 ( 0.000 0.000 -2.725) 2.725 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 8.166 0.000 15.192) 17.247 0.892 ( -2.515 0.000 19.739) 19.898 1.796 ( 1.798 0.000 9.117) 9.292 1.799 ( 17.132 0.000 12.769) 21.367 1.975 ( -2.737 0.000 -8.045) 8.498 2.058 ( -5.767 0.000 2.426) 6.256 2.126 ( 3.252 0.000 2.142) 3.894 2.164 ( -6.962 0.000 -10.895) 12.930 2.192 ( 7.370 0.000 1.767) 7.578 2.243 ( 2.457 0.000 4.614) 5.228 2.355 ( -2.843 0.000 -4.140) 5.023 2.592 ( 1.520 0.000 -6.229) 6.412 2.708 ( 0.814 0.000 -8.308) 8.348 2.745 ( -9.671 0.000 3.547) 10.301 2.845 ( -1.853 0.000 -6.752) 7.002 2.919 ( -1.421 0.000 9.106) 9.217 3.028 ( 4.675 0.000 5.057) 6.887 3.075 ( 2.226 0.000 4.272) 4.817 3.176 ( -7.404 0.000 -5.388) 9.157 3.505 ( 2.601 0.000 -9.472) 9.822 3.559 ( -9.329 0.000 -4.544) 10.377 3.619 ( -3.639 0.000 -7.215) 8.081 3.770 ( -8.240 0.000 0.468) 8.253 3.863 ( -5.202 0.000 -4.247) 6.716 3.929 ( -5.436 0.000 4.308) 6.936 4.075 ( -8.910 0.000 -10.232) 13.568 4.273 ( 14.053 0.000 6.485) 15.477 4.422 ( 0.428 0.000 0.320) 0.534 4.434 ( 11.393 0.000 15.532) 19.262 4.544 ( 8.171 0.000 4.111) 9.147 4.885 ( -4.457 0.000 -17.146) 17.716 4.891 ( 10.564 0.000 5.969) 12.133 5.051 ( 0.876 0.000 6.992) 7.046 5.138 ( -1.720 0.000 1.376) 2.202 5.284 ( 4.554 0.000 -5.467) 7.115 5.349 ( -0.117 0.000 0.550) 0.562 5.515 ( 7.322 0.000 7.329) 10.360 5.656 ( -4.145 0.000 -0.631) 4.193 5.709 ( -9.233 0.000 -6.421) 11.246 5.832 ( 0.994 0.000 -6.216) 6.295 6.015 ( 1.466 0.000 -2.384) 2.799 6.107 ( 4.749 0.000 -2.653) 5.439 6.158 ( 5.893 0.000 -2.160) 6.276 6.265 ( -0.023 0.000 -4.943) 4.943 6.488 ( 0.120 0.000 11.419) 11.419 7.250 ( 3.494 0.000 9.987) 10.580 7.446 ( -8.537 0.000 -1.474) 8.664 7.701 ( -4.467 0.000 -2.621) 5.179 8.727 ( -8.175 0.000 8.226) 11.598 9.360 ( 14.766 0.000 24.362) 28.488 9.445 ( 21.932 0.000 23.910) 32.446 10.308 ( -22.829 0.000 -26.014) 34.611 11.281 ( 11.780 0.000 -12.413) 17.113 11.324 ( 12.850 0.000 -14.499) 19.374 11.662 ( 0.264 0.000 0.748) 0.793 11.738 ( -0.042 0.000 -0.850) 0.851 13.150 ( -13.500 0.000 -0.809) 13.525 13.166 ( 1.008 0.000 14.775) 14.809 13.226 ( -3.078 0.000 -1.377) 3.372 13.894 ( -2.542 0.000 -3.281) 4.150 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 8.679 0.000 8.892) 12.425 1.066 ( 12.036 0.000 9.460) 15.309 1.871 ( -9.181 0.000 -2.841) 9.611 1.873 ( 1.098 0.000 4.980) 5.100 1.886 ( -2.200 0.000 -5.256) 5.698 1.989 ( -7.444 0.000 -7.107) 10.292 2.064 ( 0.327 0.000 -7.660) 7.667 2.140 ( 0.318 0.000 3.707) 3.721 2.285 ( 2.177 0.000 3.733) 4.321 2.353 ( 4.052 0.000 4.837) 6.310 2.446 ( 11.968 0.000 -1.484) 12.060 2.565 ( -4.447 0.000 -0.009) 4.447 2.651 ( 1.501 0.000 17.105) 17.170 2.771 ( 3.350 0.000 -8.174) 8.834 2.794 ( 2.547 0.000 -15.159) 15.371 2.924 ( 3.046 0.000 7.391) 7.994 2.984 ( -4.085 0.000 -1.730) 4.436 3.111 ( 1.622 0.000 2.442) 2.931 3.221 ( 2.514 0.000 -1.834) 3.112 3.347 ( -7.700 0.000 -5.563) 9.499 3.488 ( -10.667 0.000 -8.760) 13.803 3.505 ( -14.051 0.000 5.479) 15.081 3.620 ( 7.724 0.000 -6.364) 10.008 3.735 ( -7.815 0.000 -6.578) 10.215 3.869 ( -6.877 0.000 -13.184) 14.870 3.871 ( -0.357 0.000 1.641) 1.680 4.386 ( -5.567 0.000 -6.659) 8.679 4.534 ( 9.525 0.000 7.005) 11.823 4.703 ( -0.828 0.000 -7.170) 7.218 4.741 ( 15.534 0.000 13.404) 20.518 4.748 ( 0.291 0.000 -3.893) 3.903 5.038 ( -4.472 0.000 -4.957) 6.677 5.092 ( 8.676 0.000 7.351) 11.372 5.105 ( 0.468 0.000 4.912) 4.935 5.344 ( -0.425 0.000 1.086) 1.166 5.366 ( 2.949 0.000 1.114) 3.153 5.549 ( -6.347 0.000 -5.151) 8.174 5.567 ( -1.108 0.000 4.770) 4.897 5.703 ( 7.089 0.000 -1.444) 7.235 5.860 ( 2.041 0.000 -5.654) 6.011 6.027 ( 0.645 0.000 1.166) 1.332 6.180 ( 1.348 0.000 0.321) 1.386 6.251 ( 2.298 0.000 2.890) 3.693 6.290 ( 2.215 0.000 1.896) 2.916 6.527 ( 4.898 0.000 5.731) 7.539 7.244 ( -7.422 0.000 3.753) 8.317 7.346 ( 2.276 0.000 8.076) 8.390 7.611 ( -4.212 0.000 -0.456) 4.236 8.645 ( 0.298 0.000 0.034) 0.300 9.768 ( 24.650 0.000 23.068) 33.760 9.825 ( -23.097 0.000 -22.628) 32.334 9.936 ( 25.082 0.000 23.939) 34.673 11.415 ( 0.508 0.000 -1.842) 1.910 11.497 ( 1.225 0.000 -2.277) 2.586 11.670 ( 0.540 0.000 0.612) 0.816 11.734 ( -0.488 0.000 -0.288) 0.566 12.890 ( -9.596 0.000 -8.879) 13.074 13.140 ( -5.255 0.000 -5.266) 7.440 13.220 ( 4.695 0.000 5.807) 7.467 13.818 ( -4.998 0.000 -4.698) 6.860 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 13.916 0.000 -0.937) 13.948 1.315 ( 12.197 0.000 3.563) 12.706 1.725 ( -6.371 0.000 -4.650) 7.888 1.730 ( -8.290 0.000 -5.441) 9.916 1.835 ( -7.821 0.000 -4.971) 9.268 1.899 ( -9.517 0.000 -12.397) 15.629 1.973 ( 3.962 0.000 7.534) 8.512 2.152 ( -1.110 0.000 5.220) 5.337 2.355 ( 1.652 0.000 1.604) 2.303 2.406 ( 4.983 0.000 5.246) 7.235 2.557 ( -0.574 0.000 3.772) 3.815 2.578 ( 2.025 0.000 8.317) 8.560 2.689 ( 3.043 0.000 -1.707) 3.489 2.824 ( 3.437 0.000 -7.255) 8.028 2.895 ( 1.877 0.000 -18.341) 18.437 3.032 ( 8.710 0.000 3.896) 9.541 3.044 ( 6.596 0.000 -0.465) 6.613 3.105 ( -9.889 0.000 3.314) 10.430 3.140 ( 0.679 0.000 1.091) 1.285 3.204 ( -14.790 0.000 -16.870) 22.435 3.230 ( -3.644 0.000 -3.121) 4.798 3.407 ( 3.905 0.000 -0.929) 4.014 3.638 ( -1.354 0.000 -5.786) 5.942 3.764 ( -4.752 0.000 -9.006) 10.183 3.802 ( 6.634 0.000 -3.206) 7.369 3.911 ( 6.342 0.000 0.572) 6.368 4.184 ( -12.845 0.000 -11.455) 17.210 4.459 ( -12.504 0.000 -7.125) 14.392 4.723 ( 4.721 0.000 3.011) 5.599 4.841 ( 0.190 0.000 2.507) 2.514 4.972 ( 2.001 0.000 -4.470) 4.897 5.007 ( 10.435 0.000 8.999) 13.779 5.110 ( -0.940 0.000 3.798) 3.913 5.206 ( 1.507 0.000 6.620) 6.790 5.348 ( 1.646 0.000 1.503) 2.229 5.426 ( 3.351 0.000 6.514) 7.326 5.454 ( -3.310 0.000 -3.647) 4.925 5.549 ( -1.471 0.000 5.622) 5.811 5.812 ( 3.992 0.000 -6.632) 7.741 5.899 ( 0.830 0.000 -5.340) 5.404 6.063 ( 3.282 0.000 6.214) 7.027 6.203 ( 1.904 0.000 4.096) 4.517 6.242 ( -2.904 0.000 8.069) 8.575 6.301 ( -1.198 0.000 7.404) 7.500 6.690 ( 10.166 0.000 -0.427) 10.175 7.084 ( -8.376 0.000 0.884) 8.422 7.400 ( 2.846 0.000 8.720) 9.173 7.535 ( -3.425 0.000 5.050) 6.102 8.740 ( 8.955 0.000 -8.287) 12.201 9.370 ( -21.029 0.000 -19.655) 28.785 10.312 ( 28.372 0.000 21.393) 35.533 10.462 ( 25.768 0.000 22.998) 34.538 11.293 ( -12.322 0.000 10.151) 15.965 11.327 ( -17.191 0.000 13.328) 21.753 11.683 ( 0.738 0.000 0.440) 0.859 11.718 ( -0.971 0.000 0.268) 1.007 12.814 ( 1.497 0.000 -17.782) 17.845 13.023 ( -6.234 0.000 -10.672) 12.360 13.355 ( 8.260 0.000 -2.807) 8.724 13.694 ( -7.233 0.000 -6.202) 9.528 ======================= Grid point 130 (45/100) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -14.965 0.000 -4.794) 15.714 1.492 ( 14.965 0.000 -4.794) 15.714 1.544 ( -10.288 0.000 -1.869) 10.457 1.544 ( 10.288 0.000 -1.869) 10.457 1.783 ( -2.637 0.000 -8.161) 8.576 1.783 ( 2.637 0.000 -8.161) 8.576 2.066 ( -5.476 0.000 7.166) 9.019 2.066 ( 5.476 0.000 7.166) 9.019 2.472 ( -7.089 0.000 3.430) 7.875 2.472 ( 7.089 0.000 3.430) 7.875 2.505 ( -5.893 0.000 5.797) 8.266 2.505 ( 5.893 0.000 5.797) 8.266 2.860 ( -11.874 0.000 8.797) 14.778 2.860 ( 11.874 0.000 8.797) 14.778 2.949 ( -9.252 0.000 -13.956) 16.744 2.949 ( 9.252 0.000 -13.956) 16.744 2.989 ( -5.564 0.000 -20.171) 20.924 2.989 ( 5.564 0.000 -20.171) 20.924 3.135 ( -2.239 0.000 -2.107) 3.075 3.135 ( 2.239 0.000 -2.107) 3.075 3.397 ( -7.426 0.000 1.384) 7.554 3.397 ( 7.426 0.000 1.384) 7.554 3.671 ( -4.001 0.000 -6.186) 7.367 3.671 ( 4.001 0.000 -6.186) 7.367 3.907 ( -7.632 0.000 -1.669) 7.813 3.907 ( 7.632 0.000 -1.669) 7.813 4.182 ( -13.537 0.000 -8.003) 15.725 4.182 ( 13.537 0.000 -8.003) 15.725 4.796 ( -2.906 0.000 1.408) 3.229 4.796 ( 2.906 0.000 1.408) 3.229 5.059 ( -4.093 0.000 1.174) 4.258 5.059 ( 4.093 0.000 1.174) 4.258 5.161 ( -5.072 0.000 6.310) 8.096 5.161 ( 5.072 0.000 6.310) 8.096 5.399 ( -2.635 0.000 -0.763) 2.744 5.399 ( 2.635 0.000 -0.763) 2.744 5.497 ( -3.422 0.000 6.844) 7.652 5.497 ( 3.422 0.000 6.844) 7.652 5.878 ( -2.539 0.000 -6.629) 7.099 5.878 ( 2.539 0.000 -6.629) 7.099 6.154 ( -5.171 0.000 9.604) 10.908 6.154 ( 5.171 0.000 9.604) 10.908 6.256 ( -2.899 0.000 6.814) 7.405 6.256 ( 2.899 0.000 6.814) 7.405 6.898 ( -10.010 0.000 -1.275) 10.090 6.898 ( 10.010 0.000 -1.275) 10.090 7.465 ( -3.508 0.000 8.406) 9.109 7.465 ( 3.508 0.000 8.406) 9.109 8.994 ( -15.958 0.000 -14.812) 21.773 8.994 ( 15.958 0.000 -14.812) 21.773 10.873 ( -26.344 0.000 19.159) 32.574 10.873 ( 26.344 0.000 19.159) 32.574 10.945 ( -21.423 0.000 18.519) 28.318 10.945 ( 21.423 0.000 18.519) 28.318 11.699 ( -0.874 0.000 0.307) 0.926 11.699 ( 0.874 0.000 0.307) 0.926 12.898 ( -5.777 0.000 -16.125) 17.128 12.898 ( 5.777 0.000 -16.125) 17.128 13.531 ( -8.753 0.000 -6.341) 10.808 13.531 ( 8.753 0.000 -6.341) 10.808 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.000 6.315 13.252) 14.680 1.039 ( 0.000 7.241 17.841) 19.254 1.715 ( 0.000 -8.552 5.238) 10.028 1.722 ( 0.000 12.039 16.825) 20.689 1.902 ( 0.000 -5.438 -10.625) 11.936 1.960 ( 0.000 -3.180 9.742) 10.248 2.019 ( 0.000 -6.939 9.401) 11.685 2.157 ( 0.000 1.124 -8.451) 8.525 2.291 ( 0.000 -2.698 -0.513) 2.746 2.317 ( 0.000 -4.180 -4.253) 5.963 2.425 ( 0.000 15.126 -7.834) 17.035 2.568 ( 0.000 -1.009 -14.362) 14.397 2.684 ( 0.000 -2.953 5.285) 6.054 2.794 ( 0.000 6.386 -7.310) 9.706 2.940 ( 0.000 -2.115 4.246) 4.743 2.944 ( 0.000 6.066 0.837) 6.123 3.073 ( 0.000 5.501 4.209) 6.926 3.233 ( 0.000 16.048 6.112) 17.172 3.321 ( 0.000 -1.626 -10.335) 10.463 3.452 ( 0.000 -0.186 -5.436) 5.440 3.580 ( 0.000 -6.156 -5.495) 8.252 3.637 ( 0.000 -1.618 -5.373) 5.611 3.852 ( 0.000 -8.315 4.409) 9.411 3.864 ( 0.000 -0.219 -8.717) 8.720 3.963 ( 0.000 -5.268 15.406) 16.282 4.061 ( 0.000 6.040 -1.734) 6.284 4.201 ( 0.000 4.099 14.037) 14.623 4.424 ( 0.000 -1.821 1.681) 2.478 4.470 ( 0.000 5.732 0.702) 5.775 4.477 ( 0.000 4.890 3.355) 5.930 4.801 ( 0.000 4.204 1.299) 4.400 4.852 ( 0.000 -4.650 -4.663) 6.585 4.998 ( 0.000 -2.687 -7.312) 7.790 5.015 ( 0.000 -11.399 2.106) 11.592 5.288 ( 0.000 3.338 0.184) 3.343 5.434 ( 0.000 1.202 8.576) 8.660 5.434 ( 0.000 6.569 0.538) 6.591 5.693 ( 0.000 -1.903 -4.707) 5.077 5.800 ( 0.000 -1.649 -3.629) 3.986 5.899 ( 0.000 -0.159 -7.904) 7.906 5.920 ( 0.000 -0.191 -3.922) 3.926 6.006 ( 0.000 -2.079 -6.094) 6.439 6.103 ( 0.000 -1.190 -2.744) 2.991 6.246 ( 0.000 -2.386 -5.857) 6.325 6.540 ( 0.000 5.071 11.850) 12.889 7.164 ( 0.000 -4.690 10.817) 11.790 7.503 ( 0.000 -3.808 -6.661) 7.673 7.664 ( 0.000 -8.190 0.015) 8.190 9.078 ( 0.000 17.797 9.952) 20.391 9.144 ( 0.000 0.443 24.159) 24.164 9.205 ( 0.000 0.348 24.520) 24.523 10.673 ( 0.000 5.213 -27.377) 27.869 11.081 ( 0.000 0.308 -14.585) 14.588 11.150 ( 0.000 -0.395 -14.606) 14.611 11.407 ( 0.000 -23.808 1.289) 23.843 11.544 ( 0.000 -15.832 -1.761) 15.930 13.195 ( 0.000 3.915 16.302) 16.765 13.399 ( 0.000 11.987 0.673) 12.006 13.414 ( 0.000 6.927 -0.782) 6.971 13.918 ( 0.000 -0.356 -2.484) 2.510 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.12 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 6.797 5.793 12.513) 15.373 0.990 ( -1.251 8.763 15.245) 17.629 1.731 ( 2.310 -7.878 5.119) 9.675 1.860 ( -0.921 -7.305 -8.447) 11.205 1.880 ( 7.793 4.783 3.639) 9.841 1.996 ( -0.092 -2.362 5.782) 6.247 2.049 ( -0.916 -3.318 7.083) 7.875 2.172 ( -0.427 -0.438 -1.147) 1.300 2.187 ( 0.864 -1.612 -0.284) 1.851 2.307 ( -1.365 -1.254 -5.756) 6.047 2.486 ( 3.885 13.957 -2.727) 14.742 2.532 ( 0.252 -1.784 -4.128) 4.504 2.709 ( 0.984 -4.904 -7.061) 8.653 2.816 ( -6.490 6.885 2.621) 9.818 2.863 ( 0.379 5.959 0.498) 5.992 2.881 ( -5.666 -3.069 0.916) 6.509 3.058 ( -0.656 6.695 0.320) 6.735 3.169 ( -7.787 1.181 -2.862) 8.380 3.305 ( 2.744 10.991 2.375) 11.575 3.401 ( -1.381 -0.414 -3.747) 4.015 3.448 ( -8.401 -8.215 -3.900) 12.380 3.695 ( -7.628 -3.781 -0.460) 8.526 3.742 ( 0.988 0.944 -4.204) 4.421 3.881 ( -2.091 -1.189 -5.374) 5.888 3.985 ( -1.360 4.366 6.217) 7.718 4.086 ( 0.491 2.414 -4.188) 4.859 4.326 ( -0.379 5.154 1.591) 5.407 4.407 ( 8.233 -0.652 10.127) 13.068 4.487 ( 3.472 4.592 2.498) 6.275 4.527 ( 8.942 -1.574 3.393) 9.693 4.865 ( 1.405 -1.240 -0.805) 2.040 4.891 ( 2.526 -1.568 -9.294) 9.758 4.996 ( 1.162 -4.244 3.065) 5.362 5.090 ( 4.802 -6.325 2.479) 8.319 5.253 ( -0.552 0.496 -4.074) 4.141 5.419 ( -0.496 5.287 1.896) 5.639 5.516 ( 5.254 0.551 6.322) 8.238 5.635 ( -4.610 -1.667 -1.226) 5.053 5.762 ( -6.271 3.072 -6.257) 9.376 5.815 ( -0.060 -1.322 -6.735) 6.864 5.960 ( 2.684 -3.760 -2.745) 5.374 6.110 ( 2.315 -1.641 -1.546) 3.231 6.126 ( 5.105 -2.493 -2.740) 6.307 6.241 ( -0.343 -2.570 -3.822) 4.618 6.553 ( 1.555 6.235 10.548) 12.351 7.204 ( 3.472 -4.877 10.254) 11.873 7.407 ( -7.931 -3.039 -1.456) 8.617 7.633 ( -2.774 -6.065 -1.794) 6.906 8.875 ( -7.661 13.620 8.801) 17.935 9.351 ( 14.373 -0.980 24.117) 28.092 9.492 ( 21.389 5.525 22.482) 31.519 10.366 ( -22.000 5.783 -24.654) 33.545 11.247 ( 8.996 -6.215 -12.269) 16.435 11.310 ( 11.869 -0.467 -13.183) 17.744 11.411 ( 0.446 -23.458 1.157) 23.490 11.540 ( -0.447 -13.601 -1.486) 13.690 13.198 ( 0.677 3.673 12.910) 13.440 13.291 ( -10.424 9.966 -1.552) 14.505 13.370 ( -2.780 12.103 -0.509) 12.428 13.891 ( -2.594 -0.433 -3.077) 4.048 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 7.340 7.515 8.607) 13.581 1.114 ( 10.433 4.088 6.595) 13.002 1.714 ( -6.769 -10.799 -6.616) 14.360 1.842 ( 2.567 -3.173 4.459) 6.044 1.860 ( -5.882 -3.787 -7.368) 10.160 1.969 ( -5.197 -1.471 0.137) 5.403 2.022 ( 0.588 -1.269 -2.532) 2.893 2.216 ( 1.281 0.917 1.246) 2.008 2.265 ( 0.503 -2.137 -0.354) 2.223 2.341 ( 7.368 -2.753 0.287) 7.871 2.462 ( -5.836 4.054 1.925) 7.362 2.590 ( 3.521 2.384 3.099) 5.262 2.713 ( -1.244 -7.960 -10.903) 13.557 2.765 ( -3.980 -1.704 1.026) 4.449 2.815 ( 2.846 6.545 9.844) 12.159 2.843 ( 4.976 5.262 -4.717) 8.643 3.018 ( -1.625 1.016 -4.589) 4.973 3.127 ( 1.614 3.163 0.186) 3.556 3.260 ( -4.495 -1.729 -0.241) 4.822 3.293 ( -5.955 0.734 -4.004) 7.213 3.457 ( -1.466 5.757 1.750) 6.193 3.579 ( 4.600 1.344 -1.692) 5.082 3.743 ( -8.817 1.092 -12.294) 15.168 3.794 ( -5.877 3.269 -2.154) 7.062 3.849 ( -6.099 7.882 -3.490) 10.559 4.011 ( -0.126 10.914 -4.656) 11.866 4.399 ( -5.460 1.471 -6.477) 8.598 4.508 ( 11.889 -3.154 6.971) 14.138 4.658 ( 2.977 -2.424 0.342) 3.854 4.731 ( 0.045 -1.765 -3.856) 4.241 4.777 ( 8.594 2.520 6.474) 11.050 4.964 ( -0.213 -5.814 -0.985) 5.901 5.058 ( 3.711 -3.309 3.998) 6.380 5.145 ( 2.151 2.705 3.521) 4.933 5.292 ( 3.083 -4.654 -0.772) 5.636 5.405 ( -0.749 4.350 1.457) 4.648 5.554 ( -1.647 -1.400 4.083) 4.620 5.570 ( -2.050 0.824 -0.473) 2.259 5.719 ( 2.852 1.161 -3.801) 4.892 5.832 ( 1.690 -2.655 -5.402) 6.252 6.000 ( 1.375 -1.973 0.180) 2.412 6.132 ( 0.368 -4.342 0.489) 4.385 6.223 ( 3.395 -3.408 1.887) 5.167 6.239 ( 0.219 -4.208 1.619) 4.514 6.613 ( 4.653 7.666 7.035) 11.398 7.232 ( -6.795 -0.514 3.627) 7.720 7.288 ( 2.398 -5.666 7.755) 9.899 7.567 ( -3.490 -4.173 -0.094) 5.441 8.804 ( 0.669 15.419 0.429) 15.439 9.745 ( 23.514 -2.277 22.001) 32.282 9.906 ( -19.797 8.013 -19.494) 28.916 9.969 ( 22.809 3.610 21.862) 31.800 11.353 ( 0.167 -15.362 -3.340) 15.722 11.420 ( 0.626 -23.070 0.593) 23.086 11.477 ( 3.420 -5.588 -4.100) 7.728 11.504 ( -4.216 -5.001 2.333) 6.945 13.087 ( -7.827 14.425 -7.731) 18.141 13.236 ( 2.468 4.273 2.167) 5.390 13.299 ( -3.120 11.092 -1.962) 11.689 13.815 ( -4.936 -0.434 -4.609) 6.767 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.38 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 11.144 3.629 0.770) 11.746 1.321 ( 9.260 0.116 2.920) 9.710 1.580 ( -5.219 -8.693 -6.282) 11.928 1.729 ( -7.548 -2.962 -7.926) 11.339 1.834 ( -6.150 0.598 -2.338) 6.607 1.910 ( 1.056 -0.496 0.098) 1.171 1.986 ( -0.849 0.906 -0.019) 1.242 2.193 ( -2.002 -0.006 2.848) 3.481 2.272 ( -6.126 -5.903 2.283) 8.809 2.297 ( -1.507 -2.811 1.735) 3.631 2.536 ( 9.349 -6.054 3.353) 11.632 2.621 ( 0.880 -3.847 1.776) 4.328 2.723 ( 3.378 -1.431 -10.036) 10.685 2.773 ( 4.336 -2.645 -5.030) 7.148 2.814 ( -3.231 -6.926 -0.324) 7.649 2.911 ( -1.505 8.246 -8.482) 11.925 3.030 ( -5.596 -3.223 4.494) 7.867 3.124 ( -0.979 0.362 -3.621) 3.768 3.242 ( 1.214 7.441 -5.929) 9.591 3.282 ( 9.104 11.203 3.003) 14.745 3.380 ( -6.152 5.779 -10.387) 13.384 3.542 ( -1.549 8.081 -8.363) 11.732 3.657 ( -1.777 3.607 0.532) 4.056 3.764 ( 1.755 -0.847 -2.193) 2.934 3.813 ( 1.681 3.971 -6.941) 8.171 4.037 ( 1.316 9.989 -0.850) 10.111 4.226 ( -9.043 5.278 -9.330) 14.024 4.481 ( -11.455 2.585 -7.108) 13.727 4.717 ( 6.069 -1.120 3.810) 7.253 4.806 ( 2.551 -3.316 5.462) 6.880 4.915 ( 2.274 -4.137 0.273) 4.729 5.011 ( 7.220 -0.873 2.602) 7.724 5.094 ( -0.542 -1.859 3.862) 4.320 5.175 ( 0.152 -2.389 5.080) 5.616 5.359 ( 2.999 -1.104 3.728) 4.910 5.397 ( -0.123 1.695 1.230) 2.098 5.525 ( -0.752 3.659 0.762) 3.812 5.549 ( -0.338 -0.071 3.742) 3.758 5.783 ( 2.908 -2.785 -5.595) 6.893 5.865 ( 0.523 -3.335 -4.257) 5.433 6.037 ( 2.798 -2.306 3.916) 5.337 6.141 ( 0.673 -4.475 4.077) 6.091 6.223 ( -1.203 -3.224 6.683) 7.517 6.260 ( -0.399 -5.125 5.021) 7.186 6.743 ( 7.980 5.726 2.842) 10.225 7.081 ( -7.755 0.637 1.587) 7.941 7.350 ( 3.317 -4.863 8.604) 10.425 7.498 ( -3.471 -3.752 4.817) 7.024 8.898 ( 8.434 15.598 -7.505) 19.255 9.481 ( -19.464 11.166 -18.299) 28.955 10.274 ( 27.277 -4.240 19.822) 33.984 10.479 ( 25.168 1.764 22.615) 33.882 11.220 ( -14.331 -13.698 8.390) 21.527 11.308 ( -13.395 -1.407 11.001) 17.390 11.445 ( 0.674 -20.262 0.953) 20.296 11.488 ( -1.042 -13.409 0.293) 13.453 13.015 ( 0.412 15.374 -14.158) 20.904 13.177 ( -5.328 12.983 -9.482) 16.936 13.374 ( 7.466 1.859 -3.235) 8.346 13.694 ( -6.992 -0.141 -6.272) 9.394 ======================= Grid point 139 (50/100) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -4.756 -5.307 -1.405) 7.264 1.425 ( 4.756 -5.307 -1.405) 7.264 1.539 ( -7.128 -0.306 -3.941) 8.151 1.539 ( 7.128 -0.306 -3.941) 8.151 1.834 ( -4.831 3.676 -6.821) 9.132 1.834 ( 4.831 3.676 -6.821) 9.132 2.075 ( -7.172 -0.847 7.120) 10.141 2.075 ( 7.172 -0.847 7.120) 10.141 2.253 ( -2.011 -7.990 1.632) 8.399 2.253 ( 2.011 -7.990 1.632) 8.399 2.673 ( -2.642 -9.130 0.360) 9.512 2.673 ( 2.642 -9.130 0.360) 9.512 2.771 ( -1.304 5.973 0.997) 6.195 2.771 ( 1.304 5.973 0.997) 6.195 2.844 ( -6.021 -5.475 -6.947) 10.701 2.844 ( 6.021 -5.475 -6.947) 10.701 2.977 ( -8.545 1.687 -9.471) 12.867 2.977 ( 8.545 1.687 -9.471) 12.867 3.299 ( -2.298 7.949 -10.580) 13.431 3.299 ( 2.298 7.949 -10.580) 13.431 3.508 ( -5.926 9.499 0.389) 11.203 3.508 ( 5.926 9.499 0.389) 11.203 3.677 ( -5.699 1.365 -4.107) 7.156 3.677 ( 5.699 1.365 -4.107) 7.156 3.945 ( -7.810 3.035 -1.395) 8.494 3.945 ( 7.810 3.035 -1.395) 8.494 4.249 ( -9.695 7.646 -6.555) 13.979 4.249 ( 9.695 7.646 -6.555) 13.979 4.792 ( -2.211 -0.706 2.667) 3.535 4.792 ( 2.211 -0.706 2.667) 3.535 5.014 ( -5.139 -3.466 2.802) 6.802 5.014 ( 5.139 -3.466 2.802) 6.802 5.141 ( -3.604 -2.712 4.112) 6.104 5.141 ( 3.604 -2.712 4.112) 6.104 5.393 ( -0.577 -0.146 1.742) 1.841 5.393 ( 0.577 -0.146 1.742) 1.841 5.533 ( -1.104 2.850 3.446) 4.606 5.533 ( 1.104 2.850 3.446) 4.606 5.840 ( -2.533 -3.633 -5.269) 6.883 5.840 ( 2.533 -3.633 -5.269) 6.883 6.112 ( -3.805 -3.374 6.901) 8.572 6.112 ( 3.805 -3.374 6.901) 8.572 6.228 ( -1.937 -4.118 6.348) 7.810 6.228 ( 1.937 -4.118 6.348) 7.810 6.915 ( -8.641 2.636 0.904) 9.079 6.915 ( 8.641 2.636 0.904) 9.079 7.423 ( -3.825 -4.150 8.015) 9.802 7.423 ( 3.825 -4.150 8.015) 9.802 9.134 ( -14.709 13.969 -13.665) 24.459 9.134 ( 14.709 13.969 -13.665) 24.459 10.804 ( -23.434 -7.992 16.123) 29.546 10.804 ( 23.434 -7.992 16.123) 29.546 10.959 ( -19.921 1.237 18.528) 27.233 10.959 ( 19.921 1.237 18.528) 27.233 11.465 ( -1.136 -19.071 0.484) 19.111 11.465 ( 1.136 -19.071 0.484) 19.111 13.073 ( -4.599 14.217 -13.614) 20.214 13.073 ( 4.599 14.217 -13.614) 20.214 13.538 ( -8.287 0.569 -6.591) 10.603 13.538 ( 8.287 0.569 -6.591) 10.603 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.000 10.172 5.817) 11.717 1.216 ( 0.000 9.720 12.341) 15.709 1.513 ( 0.000 -10.616 -0.273) 10.620 1.719 ( 0.000 -9.132 4.482) 10.173 1.811 ( 0.000 -4.216 -2.941) 5.140 1.852 ( 0.000 -7.955 6.478) 10.260 2.121 ( 0.000 12.513 5.932) 13.848 2.203 ( 0.000 3.076 -11.449) 11.855 2.221 ( 0.000 -3.639 -2.997) 4.714 2.243 ( 0.000 -2.285 -1.198) 2.580 2.606 ( 0.000 5.664 -9.540) 11.095 2.680 ( 0.000 5.937 2.677) 6.513 2.712 ( 0.000 7.189 -2.235) 7.529 2.828 ( 0.000 -2.962 -0.072) 2.963 3.002 ( 0.000 9.316 1.840) 9.496 3.098 ( 0.000 9.229 -4.625) 10.323 3.157 ( 0.000 2.628 2.617) 3.709 3.309 ( 0.000 -0.345 -10.802) 10.808 3.324 ( 0.000 -8.356 -0.610) 8.378 3.422 ( 0.000 -2.342 -5.500) 5.978 3.629 ( 0.000 1.579 2.094) 2.623 3.650 ( 0.000 1.001 8.994) 9.050 3.741 ( 0.000 9.898 0.297) 9.903 3.784 ( 0.000 -7.238 -6.201) 9.531 3.834 ( 0.000 -6.173 13.005) 14.396 4.175 ( 0.000 4.067 9.093) 9.961 4.227 ( 0.000 -0.255 15.693) 15.695 4.392 ( 0.000 -2.358 -2.054) 3.127 4.604 ( 0.000 5.278 -1.830) 5.587 4.607 ( 0.000 6.976 0.606) 7.002 4.733 ( 0.000 -11.468 4.834) 12.445 4.751 ( 0.000 -5.484 -2.028) 5.846 4.884 ( 0.000 1.411 -4.112) 4.348 4.950 ( 0.000 -2.396 -10.702) 10.967 5.392 ( 0.000 7.220 -2.539) 7.654 5.474 ( 0.000 3.132 5.306) 6.162 5.545 ( 0.000 3.834 -0.051) 3.834 5.644 ( 0.000 -3.462 -6.179) 7.083 5.763 ( 0.000 -1.597 -2.172) 2.696 5.853 ( 0.000 -3.933 -5.691) 6.917 5.918 ( 0.000 0.165 -4.315) 4.318 5.983 ( 0.000 -1.861 -2.496) 3.113 6.058 ( 0.000 -1.361 -4.250) 4.462 6.176 ( 0.000 -4.658 -4.809) 6.695 6.673 ( 0.000 8.389 10.959) 13.801 7.030 ( 0.000 -8.768 10.703) 13.836 7.438 ( 0.000 -2.129 -4.532) 5.007 7.514 ( 0.000 -6.347 1.021) 6.428 9.156 ( 0.000 0.754 24.279) 24.291 9.187 ( 0.000 -0.609 24.432) 24.440 9.560 ( 0.000 29.476 7.442) 30.401 10.799 ( 0.000 0.563 -18.981) 18.989 10.850 ( 0.000 -25.278 -1.662) 25.333 11.084 ( 0.000 -0.461 -14.452) 14.459 11.140 ( 0.000 -0.581 -14.625) 14.637 11.256 ( 0.000 -12.647 -8.826) 15.422 13.299 ( 0.000 6.442 13.520) 14.976 13.482 ( 0.000 -0.295 3.652) 3.664 13.635 ( 0.000 11.244 0.151) 11.245 13.894 ( 0.000 -2.508 -1.674) 3.015 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.12 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 5.915 9.381 5.064) 12.192 1.196 ( -0.641 11.959 10.498) 15.926 1.527 ( 1.515 -11.516 -2.321) 11.845 1.703 ( -0.798 -9.947 2.000) 10.177 1.845 ( 1.379 -4.073 -1.716) 4.630 1.918 ( 4.434 -7.617 5.211) 10.239 2.080 ( -3.266 4.381 4.111) 6.838 2.165 ( -5.978 2.252 -6.450) 9.078 2.207 ( -0.147 -1.527 -3.212) 3.560 2.289 ( 3.291 0.592 -8.664) 9.287 2.575 ( -0.478 7.510 -1.351) 7.646 2.643 ( -0.868 0.202 0.013) 0.891 2.723 ( -0.149 8.310 -0.807) 8.351 2.793 ( -3.672 -4.251 -0.359) 5.629 2.962 ( -3.416 6.034 -0.699) 6.969 3.014 ( -7.549 5.864 2.999) 10.018 3.130 ( -6.659 -1.066 -8.339) 10.724 3.181 ( -6.126 -2.172 -3.185) 7.238 3.287 ( 0.921 0.323 1.477) 1.770 3.452 ( 0.643 10.077 -1.367) 10.190 3.608 ( -3.521 -0.626 0.562) 3.620 3.660 ( -3.232 1.442 5.278) 6.355 3.676 ( 0.540 3.741 -0.557) 3.821 3.853 ( 4.390 -0.489 -5.273) 6.878 3.911 ( 9.302 -8.160 9.274) 15.464 4.201 ( -0.862 4.061 0.669) 4.205 4.390 ( 8.486 -0.329 9.953) 13.084 4.438 ( -1.752 1.547 0.996) 2.541 4.495 ( 2.471 1.466 -0.580) 2.931 4.611 ( 3.305 7.371 0.684) 8.107 4.775 ( 2.757 -6.748 3.896) 8.265 4.879 ( 5.262 -7.608 -0.878) 9.292 4.886 ( -0.454 0.334 -12.581) 12.593 4.976 ( 5.099 -3.406 0.562) 6.158 5.329 ( -3.862 6.444 -2.732) 7.994 5.499 ( 0.750 2.595 5.503) 6.131 5.546 ( 0.070 1.609 0.213) 1.625 5.588 ( -4.279 -3.122 -1.489) 5.502 5.757 ( -0.765 -1.684 -6.584) 6.839 5.807 ( -3.924 -1.258 -5.255) 6.678 5.926 ( 3.427 0.878 -2.389) 4.269 6.041 ( 1.064 -4.403 -1.576) 4.796 6.082 ( 2.826 -1.732 -2.292) 4.030 6.167 ( -0.806 -4.833 -2.372) 5.443 6.703 ( 2.924 8.926 9.981) 13.705 7.067 ( 3.305 -8.870 9.936) 13.723 7.372 ( -5.306 0.008 -1.038) 5.406 7.508 ( -1.168 -6.210 -0.838) 6.374 9.137 ( -0.486 10.675 14.948) 18.375 9.323 ( 12.858 -1.999 23.315) 26.700 9.719 ( 14.251 19.805 14.459) 28.362 10.518 ( -19.404 9.569 -20.838) 30.038 10.855 ( 1.332 -32.004 2.739) 32.148 11.009 ( -6.156 -15.279 -10.062) 19.302 11.321 ( 11.413 1.058 -12.154) 16.706 11.392 ( 7.896 -3.391 -9.077) 12.499 13.293 ( -0.206 5.686 10.414) 11.867 13.416 ( -5.713 2.275 1.595) 6.353 13.607 ( -2.631 11.295 -0.963) 11.637 13.867 ( -2.654 -2.509 -2.451) 4.398 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 7.604 7.146 3.635) 11.050 1.236 ( 4.642 11.564 4.522) 13.256 1.528 ( -2.732 -8.652 -6.963) 11.437 1.720 ( 2.110 -9.651 4.138) 10.711 1.787 ( -5.377 -2.249 -4.706) 7.491 1.949 ( -2.147 -2.690 3.174) 4.682 2.005 ( -2.180 -1.328 0.406) 2.585 2.133 ( 0.675 -2.183 -4.174) 4.758 2.183 ( -2.903 -5.945 -1.217) 6.727 2.300 ( 1.297 -5.647 -6.705) 8.862 2.531 ( -5.907 5.737 1.071) 8.304 2.623 ( -5.433 1.657 -5.105) 7.637 2.690 ( -1.572 -0.779 0.153) 1.761 2.732 ( -1.267 1.661 -3.810) 4.345 2.837 ( -3.388 4.410 3.499) 6.571 2.985 ( -0.925 -0.199 1.795) 2.029 3.059 ( 3.116 1.864 -5.484) 6.577 3.097 ( -0.459 -3.729 -1.656) 4.106 3.322 ( 3.062 7.360 1.546) 8.120 3.463 ( -2.443 11.407 -4.159) 12.385 3.495 ( -1.425 0.941 -3.651) 4.031 3.661 ( -1.824 1.991 -2.475) 3.663 3.699 ( 1.660 2.929 3.010) 4.516 3.898 ( -1.863 5.243 -11.623) 12.886 4.003 ( -5.716 6.280 -1.847) 8.691 4.132 ( 5.091 -3.769 7.574) 9.873 4.421 ( -2.639 0.902 -1.785) 3.311 4.507 ( 6.712 6.200 -0.102) 9.138 4.644 ( 7.627 -1.032 3.859) 8.609 4.678 ( -2.012 -2.323 -2.660) 4.065 4.809 ( 3.742 -1.292 1.896) 4.389 4.883 ( 1.835 1.542 -0.724) 2.504 4.972 ( 4.257 -5.710 0.097) 7.123 5.143 ( 8.804 -4.534 4.454) 10.858 5.264 ( -2.703 3.345 -1.933) 4.715 5.465 ( -3.934 -1.694 2.437) 4.928 5.520 ( -0.131 0.458 2.470) 2.516 5.574 ( 1.060 -0.255 2.090) 2.358 5.724 ( -1.537 -0.484 -5.598) 5.825 5.777 ( 0.419 -2.423 -4.478) 5.109 5.983 ( 1.534 0.540 -0.676) 1.762 6.050 ( 0.561 -3.397 0.010) 3.443 6.118 ( 0.393 -5.520 -0.757) 5.586 6.153 ( -0.336 -5.266 3.802) 6.504 6.783 ( 4.792 9.528 8.233) 13.473 7.145 ( 4.020 -8.569 8.741) 12.883 7.257 ( -5.816 3.189 1.787) 6.870 7.466 ( -2.842 -6.007 0.636) 6.675 9.168 ( 3.823 20.321 3.326) 20.944 9.673 ( 20.861 -5.608 19.415) 29.044 10.081 ( 18.992 10.065 18.365) 28.272 10.131 ( -16.408 13.987 -16.112) 26.916 10.889 ( -4.710 -25.332 -5.441) 26.334 10.901 ( 2.044 -28.198 2.169) 28.355 11.451 ( 0.421 0.377 -1.455) 1.561 11.481 ( -0.179 -0.870 -1.019) 1.352 13.302 ( -4.008 6.868 -4.279) 9.030 13.312 ( 2.191 3.852 1.992) 4.859 13.534 ( -4.442 11.340 -3.855) 12.775 13.791 ( -4.779 -2.438 -4.369) 6.919 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 3.380 5.067 2.788) 6.698 1.344 ( 4.465 4.438 -0.245) 6.300 1.462 ( -0.870 -2.727 -5.031) 5.789 1.649 ( -6.097 -5.165 -6.278) 10.162 1.809 ( 2.655 -5.115 3.795) 6.900 1.891 ( -0.613 -0.910 1.729) 2.047 1.939 ( -4.071 -6.447 -0.607) 7.649 2.099 ( -6.005 -8.402 1.263) 10.405 2.151 ( 1.979 0.522 -3.954) 4.452 2.388 ( 5.982 -7.890 -4.771) 10.991 2.407 ( -6.459 7.550 1.816) 10.100 2.507 ( -1.495 -0.892 -4.185) 4.532 2.684 ( -1.694 -3.760 -9.534) 10.388 2.697 ( 3.144 -4.138 -3.955) 6.531 2.864 ( -0.817 4.417 3.516) 5.704 2.964 ( 1.704 3.554 -2.396) 4.613 2.981 ( -6.832 -3.472 2.321) 8.007 3.228 ( 3.923 2.506 -10.494) 11.480 3.348 ( -4.232 4.986 -5.941) 8.835 3.436 ( -2.691 4.078 -10.621) 11.691 3.477 ( 3.263 2.302 -7.700) 8.674 3.651 ( 6.123 7.205 0.361) 9.462 3.712 ( 0.455 1.352 -1.175) 1.848 3.832 ( -3.457 6.892 -6.799) 10.280 3.952 ( -0.342 9.276 -2.177) 9.534 4.187 ( -2.899 6.196 3.413) 7.645 4.357 ( -0.112 2.203 0.767) 2.336 4.540 ( -6.062 0.186 -1.848) 6.340 4.691 ( 6.381 2.564 2.603) 7.353 4.777 ( 4.234 2.067 6.028) 7.651 4.851 ( 2.193 -1.229 0.308) 2.532 4.974 ( 5.667 -1.231 1.230) 5.928 5.038 ( 1.132 -4.340 1.524) 4.737 5.160 ( -4.587 1.655 2.256) 5.373 5.308 ( 3.831 -5.184 1.928) 6.727 5.396 ( -2.777 -4.802 1.931) 5.874 5.548 ( 2.763 2.007 2.339) 4.139 5.593 ( 0.825 2.721 0.306) 2.860 5.719 ( 1.002 -3.192 -4.287) 5.439 5.786 ( -0.269 -4.217 -2.420) 4.869 6.000 ( 1.092 -0.866 1.589) 2.113 6.067 ( 0.964 -2.736 3.285) 4.383 6.112 ( -0.946 -6.888 3.900) 7.972 6.140 ( -1.208 -6.031 4.449) 7.591 6.891 ( 5.836 8.904 6.287) 12.364 7.137 ( -5.857 5.061 2.874) 8.256 7.229 ( 4.077 -7.397 8.463) 11.957 7.399 ( -3.790 -6.325 4.359) 8.566 9.292 ( 8.318 24.021 -5.043) 25.915 9.778 ( -15.393 19.222 -14.583) 28.620 10.123 ( 21.683 -12.437 12.727) 28.050 10.526 ( 20.871 2.114 19.325) 28.522 10.763 ( -6.251 -26.182 -1.690) 26.970 10.989 ( 5.951 -21.307 5.965) 22.913 11.329 ( -11.974 0.604 10.266) 15.784 11.377 ( -9.370 -2.185 8.124) 12.592 13.271 ( 1.102 10.023 -10.254) 14.381 13.391 ( 3.797 3.779 -6.145) 8.152 13.443 ( -3.018 8.888 -6.561) 11.452 13.677 ( -6.381 -1.988 -6.514) 9.333 ======================= Grid point 148 (55/100) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -1.493 0.254 -0.150) 1.522 1.363 ( 1.493 0.254 -0.150) 1.522 1.526 ( -5.591 -1.816 -2.643) 6.446 1.526 ( 5.591 -1.816 -2.643) 6.446 1.858 ( -3.879 -1.332 -2.873) 5.007 1.858 ( 3.879 -1.332 -2.873) 5.007 1.964 ( -5.759 -8.260 5.296) 11.377 1.964 ( 5.759 -8.260 5.296) 11.377 2.246 ( -7.103 5.342 -3.063) 9.400 2.246 ( 7.103 5.342 -3.063) 9.400 2.504 ( -2.651 -6.211 -6.373) 9.285 2.504 ( 2.651 -6.211 -6.373) 9.285 2.737 ( -7.715 -3.126 -0.489) 8.339 2.737 ( 7.715 -3.126 -0.489) 8.339 2.815 ( -7.885 -2.920 -2.780) 8.856 2.815 ( 7.885 -2.920 -2.780) 8.856 3.101 ( -9.612 9.178 -8.278) 15.657 3.101 ( 9.612 9.178 -8.278) 15.657 3.363 ( -3.006 -1.689 -9.858) 10.444 3.363 ( 3.006 -1.689 -9.858) 10.444 3.648 ( -8.055 5.209 -8.741) 12.978 3.648 ( 8.055 5.209 -8.741) 12.978 3.753 ( -1.855 3.408 -3.375) 5.142 3.753 ( 1.855 3.408 -3.375) 5.142 4.045 ( -8.720 9.870 4.639) 13.964 4.045 ( 8.720 9.870 4.639) 13.964 4.419 ( -5.016 4.617 0.054) 6.818 4.419 ( 5.016 4.617 0.054) 6.818 4.779 ( -2.576 2.122 5.679) 6.587 4.779 ( 2.576 2.122 5.679) 6.587 4.970 ( -6.944 -0.909 1.561) 7.175 4.970 ( 6.944 -0.909 1.561) 7.175 5.077 ( -4.114 -2.308 1.183) 4.863 5.077 ( 4.114 -2.308 1.183) 4.863 5.352 ( -1.669 -5.976 1.477) 6.379 5.352 ( 1.669 -5.976 1.477) 6.379 5.594 ( -1.128 3.639 0.359) 3.827 5.594 ( 1.128 3.639 0.359) 3.827 5.757 ( -2.254 -4.573 -2.875) 5.853 5.757 ( 2.254 -4.573 -2.875) 5.853 6.047 ( -3.074 -2.872 4.881) 6.444 6.047 ( 3.074 -2.872 4.881) 6.444 6.112 ( -1.393 -6.194 4.611) 7.846 6.112 ( 1.393 -6.194 4.611) 7.846 7.014 ( -6.218 7.193 4.389) 10.472 7.014 ( 6.218 7.193 4.389) 10.472 7.315 ( -4.375 -6.894 7.228) 10.905 7.315 ( 4.375 -6.894 7.228) 10.905 9.499 ( -12.166 23.184 -10.675) 28.274 9.499 ( 12.166 23.184 -10.675) 28.274 10.505 ( -14.933 -23.249 3.569) 27.861 10.505 ( 14.933 -23.249 3.569) 27.861 10.990 ( -18.700 2.105 17.859) 25.944 10.990 ( 18.700 2.105 17.859) 25.944 11.164 ( -9.545 -10.023 9.619) 16.855 11.164 ( 9.545 -10.023 9.619) 16.855 13.331 ( -4.301 11.222 -10.805) 16.161 13.331 ( 4.301 11.222 -10.805) 16.161 13.540 ( -7.031 -0.850 -7.384) 10.231 13.540 ( 7.031 -0.850 -7.384) 10.231 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.000 -10.771 0.410) 10.779 1.208 ( 0.000 10.771 0.410) 10.779 1.512 ( 0.000 -10.660 8.993) 13.946 1.512 ( 0.000 10.660 8.993) 13.946 1.767 ( 0.000 -0.531 0.942) 1.081 1.767 ( 0.000 0.531 0.942) 1.081 2.193 ( 0.000 -0.568 -1.378) 1.490 2.193 ( 0.000 0.568 -1.378) 1.490 2.249 ( 0.000 -0.261 -11.473) 11.476 2.249 ( 0.000 0.261 -11.473) 11.476 2.734 ( 0.000 -1.263 2.875) 3.140 2.734 ( 0.000 1.263 2.875) 3.140 2.777 ( 0.000 -0.393 -2.033) 2.071 2.777 ( 0.000 0.393 -2.033) 2.071 3.172 ( 0.000 -3.746 -2.363) 4.429 3.172 ( 0.000 3.746 -2.363) 4.429 3.236 ( 0.000 -5.920 1.431) 6.090 3.236 ( 0.000 5.920 1.431) 6.090 3.287 ( 0.000 -2.025 -4.341) 4.790 3.287 ( 0.000 2.025 -4.341) 4.790 3.643 ( 0.000 -5.188 -2.253) 5.656 3.643 ( 0.000 5.188 -2.253) 5.656 3.701 ( 0.000 -5.442 7.993) 9.669 3.701 ( 0.000 5.442 7.993) 9.669 4.146 ( 0.000 -20.274 3.856) 20.638 4.146 ( 0.000 20.274 3.856) 20.638 4.218 ( 0.000 -0.037 12.768) 12.768 4.218 ( 0.000 0.037 12.768) 12.768 4.646 ( 0.000 -4.541 -0.831) 4.617 4.646 ( 0.000 4.541 -0.831) 4.617 4.692 ( 0.000 -0.828 0.594) 1.019 4.692 ( 0.000 0.828 0.594) 1.019 4.910 ( 0.000 -1.578 -8.869) 9.008 4.910 ( 0.000 1.578 -8.869) 9.008 5.541 ( 0.000 -6.680 -4.563) 8.090 5.541 ( 0.000 6.680 -4.563) 8.090 5.546 ( 0.000 -2.647 -0.996) 2.828 5.546 ( 0.000 2.647 -0.996) 2.828 5.777 ( 0.000 -3.140 -0.869) 3.258 5.777 ( 0.000 3.140 -0.869) 3.258 5.936 ( 0.000 -1.891 -3.295) 3.799 5.936 ( 0.000 1.891 -3.295) 3.799 6.088 ( 0.000 -3.726 -4.595) 5.916 6.088 ( 0.000 3.726 -4.595) 5.916 6.849 ( 0.000 -9.619 10.571) 14.293 6.849 ( 0.000 9.619 10.571) 14.293 7.435 ( 0.000 -1.898 -1.351) 2.330 7.435 ( 0.000 1.898 -1.351) 2.330 9.172 ( 0.000 -0.846 24.419) 24.434 9.172 ( 0.000 0.846 24.419) 24.434 10.182 ( 0.000 -34.204 4.660) 34.520 10.182 ( 0.000 34.204 4.660) 34.520 10.987 ( 0.000 -9.429 -16.926) 19.375 10.987 ( 0.000 9.429 -16.926) 19.375 11.134 ( 0.000 -0.538 -14.511) 14.521 11.134 ( 0.000 0.538 -14.511) 14.521 13.420 ( 0.000 -5.454 9.158) 10.659 13.420 ( 0.000 5.454 9.158) 10.659 13.808 ( 0.000 -6.664 -0.662) 6.696 13.808 ( 0.000 6.664 -0.662) 6.696 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 4.628 -10.280 -0.436) 11.283 1.261 ( 4.628 10.280 -0.436) 11.283 1.481 ( -1.564 -11.552 6.518) 13.356 1.481 ( -1.564 11.552 6.518) 13.356 1.818 ( 3.185 -1.948 1.907) 4.192 1.818 ( 3.185 1.948 1.907) 4.192 2.143 ( -3.308 -3.052 0.196) 4.506 2.143 ( -3.308 3.052 0.196) 4.506 2.249 ( -2.969 -4.016 -13.337) 14.242 2.249 ( -2.969 4.016 -13.337) 14.242 2.684 ( -2.731 -3.004 1.180) 4.228 2.684 ( -2.731 3.004 1.180) 4.228 2.774 ( 0.159 -5.170 -0.729) 5.224 2.774 ( 0.159 5.170 -0.729) 5.224 3.039 ( -8.442 -3.003 -1.770) 9.133 3.039 ( -8.442 3.003 -1.770) 9.133 3.100 ( -6.707 -3.663 -1.364) 7.763 3.100 ( -6.707 3.663 -1.364) 7.763 3.469 ( 3.387 -11.277 3.315) 12.232 3.469 ( 3.387 11.277 3.315) 12.232 3.612 ( 0.891 -4.291 -0.895) 4.473 3.612 ( 0.891 4.291 -0.895) 4.473 3.737 ( 5.713 -7.215 1.421) 9.312 3.737 ( 5.713 7.215 1.421) 9.312 4.099 ( -3.839 -15.362 2.164) 15.981 4.099 ( -3.839 15.362 2.164) 15.981 4.381 ( 11.564 -0.873 9.487) 14.983 4.381 ( 11.564 0.873 9.487) 14.983 4.636 ( -2.888 -7.470 0.762) 8.045 4.636 ( -2.888 7.470 0.762) 8.045 4.743 ( 6.013 -5.178 -3.696) 8.754 4.743 ( 6.013 5.178 -3.696) 8.754 4.921 ( 1.742 -2.618 -4.905) 5.827 4.921 ( 1.742 2.618 -4.905) 5.827 5.468 ( -5.020 -7.043 -3.269) 9.247 5.468 ( -5.020 7.043 -3.269) 9.247 5.552 ( -0.281 -2.428 2.133) 3.244 5.552 ( -0.281 2.428 2.133) 3.244 5.765 ( -1.152 -2.299 -4.487) 5.171 5.765 ( -1.152 2.299 -4.487) 5.171 5.968 ( 2.448 -2.974 -2.084) 4.380 5.968 ( 2.448 2.974 -2.084) 4.380 6.086 ( -0.398 -2.582 -1.928) 3.247 6.086 ( -0.398 2.582 -1.928) 3.247 6.885 ( 3.328 -9.710 9.809) 14.198 6.885 ( 3.328 9.710 9.809) 14.198 7.410 ( -2.316 -3.748 -0.732) 4.467 7.410 ( -2.316 3.748 -0.732) 4.467 9.268 ( 9.041 -4.039 21.215) 23.412 9.268 ( 9.041 4.039 21.215) 23.412 10.229 ( 4.796 -31.162 6.189) 32.131 10.229 ( 4.796 31.162 6.189) 32.131 10.737 ( -14.616 -12.650 -15.185) 24.581 10.737 ( -14.616 12.650 -15.185) 24.581 11.348 ( 10.520 -1.683 -11.323) 15.547 11.348 ( 10.520 1.683 -11.323) 15.547 13.393 ( -2.220 -3.927 6.405) 7.834 13.393 ( -2.220 3.927 6.405) 7.834 13.781 ( -2.616 -6.641 -1.632) 7.322 13.781 ( -2.616 6.641 -1.632) 7.322 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 3.850 -8.575 -3.198) 9.929 1.357 ( 3.850 8.575 -3.198) 9.929 1.491 ( 2.584 -13.216 4.431) 14.176 1.491 ( 2.584 13.216 4.431) 14.176 1.822 ( -3.679 -5.962 0.678) 7.039 1.822 ( -3.679 5.962 0.678) 7.039 2.055 ( -4.731 -5.030 -1.962) 7.179 2.055 ( -4.731 5.030 -1.962) 7.179 2.191 ( -0.430 -4.808 -5.831) 7.570 2.191 ( -0.430 4.808 -5.831) 7.570 2.618 ( -4.160 -4.186 -3.255) 6.739 2.618 ( -4.160 4.186 -3.255) 6.739 2.712 ( -6.861 -4.205 -1.920) 8.273 2.712 ( -6.861 4.205 -1.920) 8.273 2.982 ( -0.052 -6.611 4.165) 7.814 2.982 ( -0.052 6.611 4.165) 7.814 3.019 ( 1.777 -5.112 -3.640) 6.522 3.019 ( 1.777 5.112 -3.640) 6.522 3.436 ( -0.208 -4.625 -3.980) 6.106 3.436 ( -0.208 4.625 -3.980) 6.106 3.656 ( -3.676 -5.814 -8.255) 10.745 3.656 ( -3.676 5.814 -8.255) 10.745 3.860 ( 5.462 -12.383 6.935) 15.207 3.860 ( 5.462 12.383 6.935) 15.207 4.053 ( 1.048 -2.840 -0.649) 3.096 4.053 ( 1.048 2.840 -0.649) 3.096 4.500 ( -2.531 -6.424 1.892) 7.159 4.500 ( -2.531 6.424 1.892) 7.159 4.651 ( 7.218 -3.400 2.814) 8.460 4.651 ( 7.218 3.400 2.814) 8.460 4.843 ( 3.429 -5.990 -4.396) 8.183 4.843 ( 3.429 5.990 -4.396) 8.183 5.010 ( 6.246 -8.327 1.542) 10.523 5.010 ( 6.246 8.327 1.542) 10.523 5.366 ( -5.042 -6.228 -0.179) 8.015 5.366 ( -5.042 6.228 -0.179) 8.015 5.554 ( 0.958 -1.729 3.195) 3.757 5.554 ( 0.958 1.729 3.195) 3.757 5.738 ( -1.304 -1.937 -4.514) 5.082 5.738 ( -1.304 1.937 -4.514) 5.082 6.008 ( 1.133 -1.727 -2.090) 2.938 6.008 ( 1.133 1.727 -2.090) 2.938 6.071 ( -0.843 -2.005 2.911) 3.634 6.071 ( -0.843 2.005 2.911) 3.634 6.969 ( 4.663 -9.559 8.698) 13.740 6.969 ( 4.663 9.559 8.698) 13.740 7.348 ( -3.686 -5.874 1.195) 7.037 7.348 ( -3.686 5.874 1.195) 7.037 9.503 ( 13.233 -13.043 12.124) 22.187 9.503 ( 13.233 13.043 12.124) 22.187 10.370 ( 6.073 -15.315 6.236) 17.616 10.370 ( 6.073 15.315 6.236) 17.616 10.477 ( -7.668 -12.824 -7.833) 16.871 10.477 ( -7.668 12.824 -7.833) 16.871 11.464 ( 0.163 -0.821 -1.278) 1.527 11.464 ( 0.163 0.821 -1.278) 1.527 13.359 ( -0.402 -0.500 -0.752) 0.988 13.359 ( -0.402 0.500 -0.752) 0.988 13.707 ( -4.573 -6.542 -4.077) 8.963 13.707 ( -4.573 6.542 -4.077) 8.963 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 1.130 -2.769 -3.161) 4.351 1.402 ( 1.130 2.769 -3.161) 4.351 1.518 ( -2.319 -8.448 1.950) 8.975 1.518 ( -2.319 8.448 1.950) 8.975 1.761 ( 1.258 -3.851 0.176) 4.055 1.761 ( 1.258 3.851 0.176) 4.055 1.965 ( -4.909 -4.745 0.229) 6.831 1.965 ( -4.909 4.745 0.229) 6.831 2.239 ( 5.154 -6.914 -4.892) 9.915 2.239 ( 5.154 6.914 -4.892) 9.915 2.523 ( -6.173 -1.836 -3.595) 7.376 2.523 ( -6.173 1.836 -3.595) 7.376 2.631 ( 1.324 -0.438 -5.412) 5.588 2.631 ( 1.324 0.438 -5.412) 5.588 2.910 ( -6.343 -3.092 4.988) 8.642 2.910 ( -6.343 3.092 4.988) 8.642 3.125 ( 6.109 -9.483 -6.813) 13.178 3.125 ( 6.109 9.483 -6.814) 13.178 3.432 ( -6.255 -2.575 -10.952) 12.873 3.432 ( -6.255 2.575 -10.952) 12.873 3.585 ( 4.147 -6.278 -8.899) 11.653 3.585 ( 4.147 6.278 -8.899) 11.653 3.868 ( -4.108 -3.890 -5.518) 7.903 3.868 ( -4.108 3.890 -5.518) 7.903 4.152 ( 7.183 -11.292 8.659) 15.940 4.152 ( 7.183 11.292 8.659) 15.940 4.419 ( -4.829 -9.845 5.228) 12.148 4.419 ( -4.829 9.845 5.228) 12.148 4.797 ( 6.676 -3.765 0.345) 7.673 4.797 ( 6.676 3.765 0.345) 7.673 4.909 ( 2.763 -6.811 1.666) 7.537 4.909 ( 2.763 6.811 1.666) 7.537 5.105 ( 2.764 -12.353 -0.094) 12.659 5.105 ( 2.764 12.353 -0.094) 12.659 5.259 ( -5.473 -6.621 -0.018) 8.590 5.259 ( -5.473 6.621 -0.018) 8.590 5.600 ( 3.468 -2.253 1.905) 4.553 5.600 ( 3.468 2.253 1.905) 4.553 5.715 ( -1.268 -2.979 -2.508) 4.095 5.715 ( -1.268 2.979 -2.508) 4.095 6.016 ( 0.220 -2.649 1.378) 2.994 6.016 ( 0.220 2.649 1.378) 2.994 6.057 ( -0.814 -2.093 4.363) 4.907 6.057 ( -0.814 2.093 4.363) 4.907 7.066 ( 4.953 -8.911 7.670) 12.758 7.066 ( 4.953 8.911 7.670) 12.758 7.265 ( -4.539 -7.207 3.924) 9.378 7.265 ( -4.539 7.207 3.924) 9.378 9.765 ( 12.266 -23.309 1.266) 26.370 9.765 ( 12.266 23.309 1.266) 26.370 10.212 ( -10.872 -24.723 -9.563) 28.651 10.212 ( -10.872 24.723 -9.563) 28.651 10.686 ( 16.798 -9.916 15.878) 25.151 10.686 ( 16.798 9.916 15.878) 25.151 11.347 ( -11.284 -1.219 9.681) 14.918 11.347 ( -11.284 1.219 9.681) 14.918 13.391 ( 3.511 -2.814 -7.179) 8.473 13.391 ( 3.511 2.814 -7.179) 8.473 13.603 ( -5.665 -6.113 -6.968) 10.864 13.603 ( -5.665 6.113 -6.968) 10.864 ======================= Grid point 161 (60/100) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -1.524 -6.132 -0.370) 6.330 1.439 ( -0.117 -6.085 -0.370) 6.098 1.439 ( 0.117 6.085 -0.370) 6.098 1.439 ( 1.524 6.132 -0.370) 6.330 1.853 ( -5.340 -2.188 0.747) 5.819 1.853 ( -3.489 -0.839 0.747) 3.666 1.853 ( 3.489 0.839 0.747) 3.666 1.853 ( 5.340 2.188 0.747) 5.819 2.379 ( -7.724 -7.316 -5.997) 12.212 2.379 ( 7.521 -7.262 -5.997) 12.053 2.379 ( -7.521 7.262 -5.997) 12.053 2.379 ( 7.724 7.316 -5.997) 12.212 2.745 ( -8.543 -3.248 -1.096) 9.205 2.745 ( -8.164 2.994 -1.096) 8.764 2.745 ( 8.164 -2.994 -1.096) 8.764 2.745 ( 8.543 3.248 -1.096) 9.205 3.266 ( -7.751 -7.372 -9.096) 14.042 3.266 ( 6.066 -6.966 -9.096) 12.964 3.266 ( -6.066 6.966 -9.096) 12.964 3.266 ( 7.751 7.372 -9.096) 14.042 3.738 ( -8.084 -3.658 -9.476) 12.982 3.738 ( -6.912 2.997 -9.476) 12.106 3.738 ( 6.912 -2.997 -9.476) 12.106 3.738 ( 8.084 3.658 -9.476) 12.982 4.299 ( -6.613 -13.313 8.976) 17.365 4.299 ( 6.034 -13.244 8.976) 17.099 4.299 ( -6.034 13.244 8.976) 17.099 4.299 ( 6.613 13.313 8.976) 17.365 4.908 ( -3.432 -6.514 2.228) 7.693 4.908 ( 3.432 -6.514 2.228) 7.693 4.908 ( -3.432 6.514 2.228) 7.693 4.908 ( 3.432 6.514 2.228) 7.693 5.160 ( -3.206 -10.935 -0.864) 11.428 5.160 ( 2.684 -10.900 -0.864) 11.258 5.160 ( -2.684 10.900 -0.864) 11.258 5.160 ( 3.206 10.935 -0.864) 11.428 5.672 ( -2.450 -4.160 -0.841) 4.901 5.672 ( 1.031 -4.009 -0.841) 4.224 5.672 ( -1.031 4.009 -0.841) 4.224 5.672 ( 2.450 4.160 -0.841) 4.901 6.033 ( -1.109 -1.755 4.264) 4.743 6.033 ( 0.502 -1.684 4.264) 4.612 6.033 ( -0.502 1.684 4.264) 4.612 6.033 ( 1.109 1.755 4.264) 4.743 7.167 ( -5.014 -8.202 6.221) 11.451 7.167 ( 4.916 -8.187 6.221) 11.397 7.167 ( -4.916 8.187 6.221) 11.397 7.167 ( 5.014 8.202 6.221) 11.451 9.995 ( -10.779 -27.540 -5.823) 30.142 9.995 ( 10.720 -27.534 -5.823) 30.116 9.995 ( -10.720 27.534 -5.823) 30.116 9.995 ( 10.779 27.540 -5.823) 30.142 11.045 ( -17.495 -3.670 15.894) 23.920 11.045 ( -16.989 3.018 15.894) 23.460 11.045 ( 16.989 -3.018 15.894) 23.460 11.045 ( 17.495 3.670 15.894) 23.920 13.487 ( -5.525 -5.104 -8.782) 11.563 13.487 ( 4.912 -4.945 -8.782) 11.211 13.487 ( -4.912 4.945 -8.782) 11.211 13.487 ( 5.525 5.104 -8.782) 11.563 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 0.000 0.000 16.892) 16.892 1.316 ( 0.000 0.000 13.962) 13.962 1.697 ( 0.000 0.000 -5.494) 5.494 1.747 ( 0.000 0.000 -12.786) 12.786 1.912 ( 0.000 0.000 -8.145) 8.145 1.973 ( 0.000 0.000 4.847) 4.847 2.115 ( 0.000 0.000 1.201) 1.201 2.177 ( 0.000 0.000 6.245) 6.245 2.186 ( 0.000 0.000 -16.328) 16.328 2.336 ( 0.000 0.000 0.780) 0.780 2.357 ( 0.000 0.000 6.477) 6.477 2.523 ( 0.000 0.000 -9.629) 9.629 2.561 ( 0.000 0.000 16.365) 16.365 2.882 ( 0.000 0.000 5.229) 5.229 2.995 ( 0.000 0.000 8.284) 8.284 3.141 ( 0.000 0.000 8.226) 8.226 3.145 ( 0.000 0.000 -0.598) 0.598 3.177 ( 0.000 0.000 7.467) 7.467 3.201 ( 0.000 0.000 -13.932) 13.932 3.223 ( 0.000 0.000 10.937) 10.937 3.444 ( 0.000 0.000 -10.776) 10.776 3.630 ( 0.000 0.000 -1.263) 1.263 3.712 ( 0.000 0.000 -3.870) 3.870 3.898 ( 0.000 0.000 -2.871) 2.871 4.039 ( 0.000 0.000 -4.513) 4.513 4.102 ( 0.000 0.000 3.278) 3.278 4.254 ( 0.000 0.000 -6.776) 6.776 4.284 ( 0.000 0.000 -5.460) 5.460 4.574 ( 0.000 0.000 -3.120) 3.120 4.597 ( 0.000 0.000 9.419) 9.419 4.767 ( 0.000 0.000 12.884) 12.884 4.788 ( 0.000 0.000 0.251) 0.251 5.056 ( 0.000 0.000 -7.942) 7.942 5.201 ( 0.000 0.000 -3.297) 3.297 5.207 ( 0.000 0.000 7.363) 7.363 5.383 ( 0.000 0.000 3.580) 3.580 5.574 ( 0.000 0.000 -2.862) 2.862 5.613 ( 0.000 0.000 1.822) 1.822 5.697 ( 0.000 0.000 -9.661) 9.661 5.757 ( 0.000 0.000 -2.190) 2.190 5.893 ( 0.000 0.000 0.787) 0.787 5.985 ( 0.000 0.000 0.058) 0.058 6.021 ( 0.000 0.000 -3.957) 3.957 6.144 ( 0.000 0.000 -5.779) 5.779 6.775 ( 0.000 0.000 14.739) 14.739 7.309 ( 0.000 0.000 -6.994) 6.994 7.458 ( 0.000 0.000 4.628) 4.628 7.693 ( 0.000 0.000 -4.070) 4.070 9.170 ( 0.000 0.000 16.232) 16.232 9.675 ( 0.000 0.000 27.053) 27.053 9.753 ( 0.000 0.000 27.553) 27.553 10.052 ( 0.000 0.000 -26.053) 26.053 10.710 ( 0.000 0.000 -21.073) 21.073 10.787 ( 0.000 0.000 -20.969) 20.969 11.678 ( 0.000 0.000 0.972) 0.972 11.719 ( 0.000 0.000 -0.999) 0.999 13.262 ( 0.000 0.000 0.375) 0.375 13.291 ( 0.000 0.000 -0.946) 0.946 13.482 ( 0.000 0.000 13.197) 13.197 13.841 ( 0.000 0.000 -5.093) 5.093 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 4.020 0.000 15.159) 15.683 1.255 ( -4.734 0.000 15.067) 15.793 1.723 ( 0.945 0.000 -10.274) 10.317 1.738 ( -1.050 0.000 -12.189) 12.234 1.928 ( 0.784 0.000 -6.447) 6.494 1.989 ( 2.217 0.000 7.942) 8.246 2.169 ( 3.476 0.000 3.655) 5.043 2.187 ( 0.263 0.000 -14.165) 14.168 2.253 ( -9.291 0.000 4.714) 10.419 2.260 ( 8.227 0.000 1.425) 8.350 2.352 ( -0.645 0.000 2.502) 2.584 2.490 ( 0.400 0.000 7.273) 7.284 2.519 ( -0.137 0.000 -9.833) 9.833 2.868 ( -11.533 0.000 8.390) 14.261 2.968 ( -3.722 0.000 -5.344) 6.513 3.065 ( 5.679 0.000 6.474) 8.612 3.094 ( -2.757 0.000 6.175) 6.763 3.199 ( -0.988 0.000 16.959) 16.988 3.206 ( 1.095 0.000 7.697) 7.774 3.308 ( 2.164 0.000 -8.019) 8.306 3.444 ( -0.823 0.000 -8.135) 8.177 3.543 ( -5.783 0.000 1.508) 5.977 3.706 ( -0.012 0.000 -5.207) 5.207 3.762 ( -8.433 0.000 -4.901) 9.754 3.867 ( -16.153 0.000 -9.874) 18.931 4.019 ( -9.297 0.000 1.462) 9.412 4.315 ( -0.990 0.000 -9.211) 9.264 4.318 ( 8.879 0.000 -7.194) 11.428 4.578 ( -0.557 0.000 -1.076) 1.212 4.723 ( 12.226 0.000 11.816) 17.003 4.739 ( 0.441 0.000 10.334) 10.344 4.961 ( 11.910 0.000 0.423) 11.918 5.061 ( -7.405 0.000 -9.699) 12.203 5.103 ( 0.922 0.000 -3.183) 3.314 5.302 ( 7.059 0.000 8.511) 11.058 5.383 ( -0.050 0.000 3.352) 3.353 5.598 ( -6.537 0.000 -5.038) 8.253 5.623 ( 1.608 0.000 -2.423) 2.908 5.664 ( 5.699 0.000 3.233) 6.552 5.720 ( -2.262 0.000 -2.217) 3.167 5.980 ( 4.582 0.000 -0.445) 4.603 6.085 ( 7.833 0.000 0.215) 7.836 6.088 ( 7.246 0.000 -4.167) 8.359 6.173 ( 2.956 0.000 -3.824) 4.833 6.760 ( -1.384 0.000 14.355) 14.421 7.292 ( -2.706 0.000 -9.038) 9.435 7.456 ( 0.820 0.000 6.679) 6.730 7.653 ( -3.015 0.000 -2.638) 4.007 8.965 ( -13.619 0.000 14.779) 20.097 9.783 ( -19.531 0.000 -23.777) 30.770 9.902 ( 14.185 0.000 27.541) 30.979 9.968 ( 21.482 0.000 25.575) 33.400 10.949 ( 17.237 0.000 -19.670) 26.154 10.950 ( 14.552 0.000 -21.522) 25.980 11.679 ( 0.168 0.000 0.923) 0.938 11.719 ( 0.016 0.000 -0.978) 0.978 13.152 ( -13.019 0.000 0.660) 13.036 13.197 ( -6.274 0.000 -1.393) 6.427 13.447 ( -3.241 0.000 12.172) 12.596 13.804 ( -3.619 0.000 -5.591) 6.660 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -1.740 0.000 11.403) 11.535 1.276 ( 6.111 0.000 10.597) 12.232 1.680 ( -5.221 0.000 -13.388) 14.370 1.697 ( -3.152 0.000 -9.817) 10.310 1.895 ( -4.191 0.000 -0.979) 4.304 2.034 ( -10.249 0.000 5.362) 11.567 2.054 ( 3.579 0.000 9.731) 10.368 2.242 ( 3.324 0.000 6.569) 7.362 2.266 ( 6.952 0.000 -12.537) 14.336 2.364 ( 3.139 0.000 -6.980) 7.653 2.429 ( 5.922 0.000 0.428) 5.937 2.530 ( 0.628 0.000 -8.424) 8.448 2.544 ( 3.236 0.000 3.240) 4.580 2.630 ( -7.894 0.000 1.899) 8.119 2.872 ( -6.633 0.000 -4.784) 8.178 3.024 ( -5.084 0.000 -4.053) 6.502 3.142 ( -6.853 0.000 0.042) 6.854 3.157 ( 4.781 0.000 17.894) 18.522 3.213 ( -0.883 0.000 7.200) 7.254 3.287 ( -0.287 0.000 -2.955) 2.969 3.331 ( -11.569 0.000 -0.312) 11.573 3.569 ( -7.395 0.000 -8.956) 11.614 3.573 ( 7.165 0.000 0.725) 7.202 3.633 ( -10.374 0.000 6.619) 12.306 3.653 ( -3.523 0.000 -8.873) 9.546 3.869 ( -0.986 0.000 -2.820) 2.988 4.213 ( -8.593 0.000 -7.986) 11.731 4.426 ( -1.888 0.000 -13.383) 13.515 4.641 ( 8.990 0.000 1.270) 9.079 4.772 ( 1.508 0.000 1.783) 2.336 4.925 ( -3.645 0.000 -2.039) 4.176 4.978 ( 11.475 0.000 9.401) 14.834 5.139 ( 0.532 0.000 -2.919) 2.967 5.175 ( 8.492 0.000 0.388) 8.501 5.379 ( -0.364 0.000 2.541) 2.567 5.446 ( 6.971 0.000 6.716) 9.680 5.479 ( -5.008 0.000 -2.208) 5.473 5.651 ( -0.308 0.000 3.739) 3.752 5.684 ( 1.082 0.000 -2.715) 2.923 5.773 ( 3.614 0.000 -2.680) 4.499 6.075 ( 5.726 0.000 3.752) 6.846 6.211 ( 4.272 0.000 2.287) 4.845 6.253 ( 7.459 0.000 -2.404) 7.837 6.291 ( 8.215 0.000 -1.063) 8.284 6.726 ( -1.743 0.000 12.193) 12.317 7.186 ( -7.184 0.000 -7.617) 10.470 7.500 ( 2.855 0.000 6.282) 6.900 7.616 ( 0.003 0.000 0.176) 0.176 8.736 ( -8.249 0.000 8.696) 11.986 9.369 ( -20.090 0.000 -20.826) 28.936 10.288 ( 23.042 0.000 26.736) 35.295 10.444 ( 24.297 0.000 24.456) 34.474 11.262 ( 12.153 0.000 -12.806) 17.655 11.282 ( 15.956 0.000 -17.746) 23.864 11.685 ( 0.358 0.000 0.788) 0.866 11.721 ( 0.134 0.000 -0.906) 0.916 12.822 ( -17.961 0.000 1.458) 18.020 13.022 ( -10.701 0.000 -6.057) 12.296 13.370 ( -3.642 0.000 8.380) 9.137 13.700 ( -6.546 0.000 -6.747) 9.400 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 4.526 0.000 1.954) 4.930 1.399 ( 5.836 0.000 4.471) 7.351 1.538 ( -8.572 0.000 -13.248) 15.779 1.612 ( -4.996 0.000 -5.872) 7.710 1.803 ( -3.714 0.000 4.312) 5.691 1.854 ( -6.821 0.000 6.678) 9.546 2.124 ( 3.762 0.000 7.235) 8.155 2.276 ( -0.702 0.000 7.720) 7.752 2.412 ( -1.509 0.000 4.209) 4.471 2.433 ( 8.581 0.000 -12.081) 14.819 2.475 ( 5.637 0.000 -16.360) 17.304 2.573 ( 2.902 0.000 -2.300) 3.703 2.597 ( 2.342 0.000 2.090) 3.139 2.620 ( 0.644 0.000 -11.777) 11.794 2.747 ( -3.401 0.000 3.830) 5.122 2.821 ( -12.659 0.000 -16.498) 20.795 2.949 ( -9.357 0.000 0.019) 9.357 3.149 ( -1.198 0.000 6.824) 6.929 3.212 ( -2.111 0.000 5.467) 5.861 3.234 ( -10.682 0.000 -6.339) 12.421 3.283 ( 6.088 0.000 6.869) 9.179 3.483 ( 0.781 0.000 13.635) 13.657 3.516 ( 0.382 0.000 -5.661) 5.673 3.604 ( -2.175 0.000 -7.298) 7.615 3.688 ( 4.117 0.000 -9.324) 10.193 3.918 ( 1.147 0.000 -3.825) 3.994 4.042 ( -4.081 0.000 1.819) 4.468 4.315 ( -7.889 0.000 -7.253) 10.716 4.776 ( 2.915 0.000 0.001) 2.915 4.854 ( 4.555 0.000 -1.995) 4.973 4.893 ( 1.874 0.000 1.282) 2.270 5.112 ( -3.135 0.000 -2.980) 4.325 5.164 ( 6.985 0.000 6.251) 9.373 5.284 ( 2.040 0.000 1.153) 2.344 5.372 ( -0.178 0.000 0.562) 0.589 5.403 ( -2.416 0.000 -1.329) 2.757 5.563 ( 4.130 0.000 5.889) 7.193 5.632 ( -0.779 0.000 2.263) 2.393 5.733 ( 2.916 0.000 -1.137) 3.129 5.812 ( 0.403 0.000 -3.259) 3.284 6.210 ( 7.059 0.000 7.392) 10.221 6.298 ( 4.575 0.000 4.856) 6.672 6.353 ( 1.969 0.000 2.301) 3.028 6.417 ( 2.576 0.000 2.257) 3.425 6.722 ( 2.741 0.000 4.725) 5.463 7.022 ( -8.798 0.000 -5.946) 10.619 7.561 ( 3.301 0.000 6.557) 7.341 7.634 ( 0.725 0.000 3.424) 3.500 8.653 ( 0.309 0.000 0.137) 0.338 9.002 ( -15.811 0.000 -15.654) 22.249 10.787 ( 25.512 0.000 24.021) 35.041 10.911 ( 21.202 0.000 20.058) 29.187 11.392 ( 0.119 0.000 -0.971) 0.979 11.483 ( 0.750 0.000 -1.072) 1.308 11.694 ( 0.588 0.000 0.632) 0.864 11.721 ( -0.274 0.000 -0.198) 0.338 12.528 ( -7.937 0.000 -7.136) 10.673 12.785 ( -12.338 0.000 -12.003) 17.213 13.333 ( 0.660 0.000 1.233) 1.399 13.551 ( -7.857 0.000 -7.395) 10.790 ======================= Grid point 193 (65/100) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -9.151 0.000 -7.918) 12.101 1.351 ( 9.151 0.000 -7.918) 12.101 1.509 ( -5.173 0.000 -1.424) 5.365 1.509 ( 5.173 0.000 -1.424) 5.365 1.774 ( -1.163 0.000 6.970) 7.067 1.774 ( 1.163 0.000 6.970) 7.067 2.214 ( -4.600 0.000 6.318) 7.815 2.214 ( 4.600 0.000 6.318) 7.815 2.475 ( -7.154 0.000 -2.338) 7.526 2.475 ( 7.154 0.000 -2.338) 7.526 2.533 ( -0.634 0.000 -15.659) 15.672 2.533 ( 0.634 0.000 -15.659) 15.672 2.672 ( -7.259 0.000 3.506) 8.061 2.672 ( 7.259 0.000 3.506) 8.061 2.678 ( -3.778 0.000 -10.115) 10.798 2.678 ( 3.779 0.000 -10.115) 10.798 2.960 ( -11.981 0.000 -1.533) 12.079 2.960 ( 11.981 0.000 -1.533) 12.079 3.169 ( -2.015 0.000 3.865) 4.358 3.169 ( 2.015 0.000 3.865) 4.358 3.433 ( -6.762 0.000 4.734) 8.255 3.433 ( 6.762 0.000 4.734) 8.255 3.553 ( -2.666 0.000 -5.224) 5.865 3.553 ( 2.666 0.000 -5.224) 5.865 3.808 ( -7.487 0.000 -7.459) 10.569 3.808 ( 7.487 0.000 -7.459) 10.569 4.140 ( -8.629 0.000 1.832) 8.821 4.140 ( 8.629 0.000 1.832) 8.821 4.831 ( -2.602 0.000 2.209) 3.413 4.831 ( 2.602 0.000 2.209) 3.413 5.019 ( -6.015 0.000 -3.842) 7.137 5.019 ( 6.015 0.000 -3.842) 7.137 5.265 ( -3.192 0.000 3.849) 5.000 5.265 ( 3.192 0.000 3.849) 5.000 5.377 ( -0.587 0.000 -1.254) 1.384 5.377 ( 0.587 0.000 -1.254) 1.384 5.614 ( -1.364 0.000 3.440) 3.700 5.614 ( 1.364 0.000 3.440) 3.700 5.791 ( -2.380 0.000 -1.727) 2.940 5.791 ( 2.380 0.000 -1.727) 2.940 6.329 ( -4.051 0.000 6.631) 7.770 6.329 ( 4.051 0.000 6.631) 7.770 6.389 ( -3.960 0.000 5.703) 6.943 6.389 ( 3.960 0.000 5.703) 6.943 6.845 ( -8.320 0.000 -3.250) 8.933 6.845 ( 8.320 0.000 -3.250) 8.933 7.621 ( -2.122 0.000 5.904) 6.274 7.621 ( 2.122 0.000 5.904) 6.274 8.749 ( -8.981 0.000 -8.577) 12.419 8.749 ( 8.981 0.000 -8.577) 12.419 11.262 ( -12.683 0.000 11.430) 17.073 11.262 ( 12.683 0.000 11.430) 17.073 11.265 ( -20.021 0.000 17.470) 26.571 11.265 ( 20.021 0.000 17.470) 26.571 11.708 ( -0.806 0.000 0.552) 0.976 11.708 ( 0.806 0.000 0.552) 0.976 12.557 ( -8.775 0.000 -15.694) 17.981 12.557 ( 8.775 0.000 -15.694) 17.981 13.404 ( -6.056 0.000 -5.283) 8.036 13.404 ( 6.056 0.000 -5.283) 8.036 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.000 -3.801 9.649) 10.370 1.342 ( 0.000 1.550 9.276) 9.405 1.550 ( 0.000 -11.382 -11.029) 15.850 1.759 ( 0.000 2.865 -5.405) 6.117 1.858 ( 0.000 -3.045 2.576) 3.988 2.080 ( 0.000 -7.936 -7.120) 10.662 2.128 ( 0.000 -3.137 2.254) 3.863 2.136 ( 0.000 -1.899 4.958) 5.309 2.228 ( 0.000 11.252 -4.221) 12.018 2.306 ( 0.000 -0.007 -8.685) 8.685 2.373 ( 0.000 6.201 2.725) 6.773 2.448 ( 0.000 -0.839 10.085) 10.120 2.728 ( 0.000 8.623 2.488) 8.975 2.811 ( 0.000 -2.389 6.787) 7.195 3.017 ( 0.000 1.607 6.154) 6.361 3.106 ( 0.000 -1.687 -4.858) 5.142 3.173 ( 0.000 1.000 16.988) 17.018 3.200 ( 0.000 1.320 -11.336) 11.413 3.221 ( 0.000 0.292 3.635) 3.647 3.403 ( 0.000 17.399 3.822) 17.813 3.514 ( 0.000 6.553 -5.579) 8.606 3.518 ( 0.000 -9.631 -1.335) 9.723 3.689 ( 0.000 -0.822 -6.399) 6.451 3.913 ( 0.000 -6.209 1.666) 6.428 4.004 ( 0.000 7.937 -3.116) 8.527 4.214 ( 0.000 -1.953 0.211) 1.964 4.322 ( 0.000 4.086 -4.097) 5.786 4.325 ( 0.000 11.390 -3.902) 12.039 4.515 ( 0.000 -3.820 -1.924) 4.278 4.603 ( 0.000 -0.731 5.095) 5.147 4.694 ( 0.000 -4.014 7.765) 8.741 4.840 ( 0.000 2.140 3.938) 4.482 4.977 ( 0.000 -8.080 -5.702) 9.890 5.112 ( 0.000 -6.868 9.226) 11.501 5.215 ( 0.000 1.415 -6.835) 6.980 5.470 ( 0.000 6.100 3.574) 7.070 5.517 ( 0.000 -4.520 -9.364) 10.398 5.606 ( 0.000 -0.198 5.407) 5.410 5.747 ( 0.000 -0.768 -1.795) 1.953 5.760 ( 0.000 4.358 -7.218) 8.432 5.883 ( 0.000 -0.937 -0.019) 0.937 5.907 ( 0.000 -4.341 -2.071) 4.809 6.053 ( 0.000 -0.218 -1.863) 1.875 6.133 ( 0.000 -1.435 -5.103) 5.301 6.806 ( 0.000 3.369 13.644) 14.054 7.305 ( 0.000 -0.275 -6.195) 6.201 7.390 ( 0.000 -6.502 4.728) 8.039 7.626 ( 0.000 -6.236 -3.439) 7.121 9.329 ( 0.000 15.726 14.653) 21.494 9.680 ( 0.000 0.529 27.161) 27.166 9.749 ( 0.000 -0.337 27.495) 27.497 10.137 ( 0.000 8.555 -24.387) 25.844 10.714 ( 0.000 0.398 -21.031) 21.035 10.783 ( 0.000 -0.415 -20.976) 20.981 11.437 ( 0.000 -22.600 1.621) 22.658 11.508 ( 0.000 -18.982 -1.747) 19.063 13.373 ( 0.000 8.840 1.259) 8.929 13.399 ( 0.000 8.553 -0.692) 8.581 13.523 ( 0.000 4.604 11.159) 12.071 13.846 ( 0.000 0.384 -4.649) 4.665 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.12 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 4.788 -3.559 8.504) 10.388 1.296 ( -3.913 3.901 12.213) 13.405 1.537 ( -0.676 -12.871 -12.664) 18.069 1.756 ( -1.463 1.242 -8.507) 8.720 1.881 ( 1.904 -3.971 3.034) 5.348 2.076 ( -2.410 0.510 1.146) 2.717 2.111 ( 1.407 -6.273 -7.612) 9.963 2.175 ( 0.737 -0.119 2.714) 2.815 2.263 ( -1.384 -0.147 1.859) 2.322 2.307 ( 0.545 -2.530 7.890) 8.304 2.375 ( 1.384 6.739 -3.705) 7.814 2.448 ( 5.407 7.337 -1.865) 9.303 2.632 ( -2.585 4.359 -0.556) 5.098 2.886 ( -9.935 -1.566 0.144) 10.059 2.941 ( -1.868 -1.280 3.686) 4.326 2.988 ( -2.869 1.348 -1.488) 3.502 3.119 ( -4.896 -1.232 11.537) 12.594 3.161 ( -1.603 -1.949 4.126) 4.837 3.292 ( -0.490 6.231 1.588) 6.448 3.413 ( -3.151 2.597 2.055) 4.571 3.457 ( 2.252 2.970 1.975) 4.219 3.528 ( 1.536 4.787 -5.671) 7.579 3.702 ( -2.650 0.363 -4.029) 4.836 3.797 ( -6.974 -1.136 -1.900) 7.317 3.945 ( -6.867 9.187 -6.764) 13.316 4.103 ( -11.303 6.794 -0.015) 13.188 4.325 ( 5.409 1.047 -4.435) 7.073 4.338 ( -0.548 2.599 -9.970) 10.318 4.531 ( 2.013 -4.265 -1.303) 4.893 4.697 ( 2.318 -3.859 9.053) 10.111 4.757 ( 9.913 2.808 9.703) 14.152 4.911 ( 5.178 -4.138 -1.474) 6.790 5.032 ( 2.544 -7.004 -2.236) 7.780 5.111 ( -3.324 4.078 -7.986) 9.563 5.214 ( 7.453 -6.081 8.698) 12.968 5.461 ( -0.857 5.520 3.097) 6.387 5.576 ( 3.240 -3.659 -6.218) 7.909 5.627 ( -1.649 0.436 1.223) 2.099 5.690 ( -0.629 2.242 -0.033) 2.329 5.708 ( -1.989 -0.252 -1.525) 2.519 5.927 ( 4.521 -3.576 -0.438) 5.781 6.038 ( 6.709 -3.194 -4.914) 8.908 6.101 ( 5.128 -0.989 0.507) 5.247 6.175 ( 4.133 -0.889 -2.776) 5.057 6.799 ( -0.513 4.177 12.914) 13.583 7.283 ( -3.056 -0.573 -8.603) 9.147 7.394 ( 1.393 -5.921 7.247) 9.462 7.595 ( -2.291 -5.413 -2.466) 6.373 9.110 ( -13.298 14.065 14.014) 23.897 9.870 ( -15.439 7.543 -16.585) 23.881 9.888 ( 10.474 -0.275 22.068) 24.429 9.995 ( 21.063 2.897 24.475) 32.420 10.909 ( 12.364 -3.881 -20.308) 24.090 10.967 ( 16.914 1.058 -19.909) 26.145 11.439 ( 0.200 -22.342 1.526) 22.395 11.506 ( -0.108 -18.141 -1.691) 18.220 13.282 ( -10.848 10.387 0.335) 15.022 13.318 ( -5.333 9.760 -0.605) 11.139 13.482 ( -3.762 3.929 10.488) 11.815 13.808 ( -3.762 0.198 -5.194) 6.417 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -0.748 3.880 9.097) 9.918 1.252 ( 6.444 -1.302 6.430) 9.196 1.520 ( -1.333 -12.406 -9.146) 15.470 1.670 ( -6.132 -0.655 -10.828) 12.461 1.920 ( -0.020 -1.781 2.175) 2.811 1.999 ( -5.224 0.391 3.191) 6.134 2.081 ( -4.841 -0.674 8.736) 10.010 2.147 ( 2.290 -5.467 -7.662) 9.687 2.260 ( 2.279 -4.139 0.175) 4.728 2.405 ( 4.413 -4.845 1.224) 6.667 2.423 ( 0.889 3.014 -4.114) 5.177 2.543 ( 1.479 4.464 -0.244) 4.709 2.614 ( -0.501 7.875 -0.841) 7.935 2.700 ( -4.502 3.867 -4.180) 7.259 2.815 ( -6.676 -7.039 -3.883) 10.450 2.909 ( -5.381 -4.528 4.844) 8.540 3.066 ( 0.487 -1.726 -2.871) 3.385 3.149 ( -2.884 -1.126 5.299) 6.137 3.201 ( -4.244 0.349 -6.198) 7.520 3.384 ( 0.383 9.340 9.772) 13.523 3.470 ( -9.085 -5.866 0.407) 10.822 3.490 ( -7.023 5.497 -2.809) 9.351 3.619 ( 6.695 7.341 3.517) 10.539 3.680 ( -7.615 5.303 -7.329) 11.825 3.874 ( -3.779 3.183 0.981) 5.037 3.930 ( 1.183 17.181 -2.836) 17.454 4.240 ( -7.778 3.240 -7.513) 11.289 4.430 ( -0.910 0.902 -13.196) 13.258 4.615 ( 8.828 -2.872 2.384) 9.585 4.752 ( 2.547 -2.243 1.086) 3.563 4.897 ( -1.612 -2.783 -0.922) 3.346 4.976 ( 9.276 -0.453 8.641) 12.685 5.083 ( 2.984 -5.046 -2.280) 6.290 5.184 ( 4.964 0.583 -1.049) 5.107 5.360 ( 6.004 -3.962 6.329) 9.582 5.438 ( -1.304 4.250 1.954) 4.856 5.547 ( -2.755 2.658 -0.880) 3.928 5.635 ( 1.851 -2.105 2.241) 3.588 5.662 ( -0.403 -1.709 -2.523) 3.074 5.761 ( 2.913 -0.947 -1.649) 3.479 6.022 ( 5.262 -3.856 2.275) 6.909 6.140 ( 4.049 -5.282 -0.832) 6.708 6.234 ( 6.634 -3.444 1.128) 7.559 6.279 ( 5.060 -2.272 0.719) 5.593 6.794 ( 0.245 6.635 10.147) 12.127 7.183 ( -6.258 0.282 -6.471) 9.007 7.444 ( 2.980 -5.365 6.369) 8.845 7.570 ( 0.302 -4.400 -0.197) 4.414 8.895 ( -7.455 15.619 8.206) 19.154 9.480 ( -18.719 11.183 -19.277) 29.105 10.249 ( 21.474 -4.269 25.628) 33.707 10.463 ( 23.807 1.968 23.960) 33.834 11.170 ( 11.233 -13.299 -14.976) 22.963 11.283 ( 12.834 0.209 -13.672) 18.753 11.446 ( 0.578 -21.112 1.183) 21.153 11.504 ( -0.152 -13.638 -1.313) 13.702 13.014 ( -14.095 14.847 0.259) 20.474 13.169 ( -9.061 12.148 -5.192) 16.019 13.393 ( -4.320 2.342 7.451) 8.925 13.701 ( -6.647 -0.092 -6.492) 9.292 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.38 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 3.933 4.825 1.717) 6.458 1.385 ( 5.101 -2.141 2.306) 5.994 1.487 ( -1.502 -8.932 -2.932) 9.520 1.547 ( -5.883 0.300 -9.244) 10.962 1.843 ( -5.021 0.628 4.769) 6.953 1.879 ( -5.514 5.004 1.857) 7.674 2.087 ( 3.633 -4.550 5.839) 8.246 2.206 ( 3.158 -9.753 -3.581) 10.859 2.315 ( 1.860 -8.921 -3.142) 9.639 2.356 ( -6.792 3.477 5.866) 9.624 2.391 ( -2.025 -9.575 -9.720) 13.793 2.559 ( -3.780 -3.464 -6.626) 8.378 2.618 ( 5.159 1.062 -2.018) 5.641 2.668 ( -0.517 -4.481 -6.948) 8.284 2.763 ( 1.084 6.989 -0.062) 7.073 2.852 ( -2.370 1.469 0.535) 2.839 2.929 ( -8.877 3.109 -11.029) 14.495 3.138 ( 1.100 -2.846 2.149) 3.732 3.192 ( -9.820 -2.417 -1.647) 10.246 3.213 ( -2.715 0.419 -0.785) 2.857 3.353 ( 1.471 3.254 0.699) 3.639 3.520 ( 1.845 9.368 5.305) 10.923 3.598 ( 0.435 3.374 -5.152) 6.174 3.732 ( 3.491 2.062 -2.075) 4.555 3.779 ( -2.691 14.180 2.902) 14.722 4.037 ( 1.733 13.058 -5.355) 14.220 4.071 ( -3.590 3.985 1.339) 5.528 4.343 ( -6.452 3.696 -6.917) 10.156 4.768 ( 3.947 -0.996 0.074) 4.072 4.836 ( 6.791 -1.974 -3.446) 7.867 4.880 ( -0.318 -0.717 3.026) 3.126 5.084 ( -2.321 -2.527 -2.398) 4.186 5.142 ( 6.291 -2.872 5.772) 9.008 5.254 ( 1.537 -2.931 1.886) 3.809 5.406 ( -0.394 1.216 0.643) 1.431 5.415 ( -0.882 2.306 0.569) 2.534 5.564 ( 2.936 -0.145 2.909) 4.135 5.624 ( -0.878 -0.759 3.089) 3.300 5.708 ( 2.857 -2.690 -1.820) 4.325 5.789 ( -0.086 -2.238 -3.098) 3.823 6.145 ( 6.465 -5.204 5.581) 10.001 6.216 ( 3.505 -6.101 2.894) 7.608 6.330 ( 2.250 -5.201 2.141) 6.058 6.340 ( 0.725 -6.017 3.475) 6.986 6.825 ( 3.118 8.913 5.091) 10.728 7.048 ( -6.802 3.346 -3.988) 8.566 7.509 ( 3.452 -5.040 6.433) 8.871 7.588 ( 0.549 -4.566 2.977) 5.478 8.823 ( 0.426 16.712 0.302) 16.720 9.142 ( -14.453 13.980 -14.295) 24.671 10.707 ( 22.809 -9.377 21.326) 32.603 10.920 ( 20.659 0.536 19.619) 28.495 11.285 ( -0.560 -22.985 -2.303) 23.107 11.433 ( 0.370 -13.474 -0.112) 13.479 11.474 ( 2.321 -6.791 -1.928) 7.431 11.482 ( -2.364 -6.234 2.133) 7.000 12.793 ( -5.949 19.077 -5.746) 20.793 12.971 ( -9.978 15.136 -9.977) 20.693 13.343 ( 0.154 0.892 0.802) 1.210 13.551 ( -7.816 -0.186 -7.340) 10.723 ======================= Grid point 202 (70/100) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -6.275 1.553 -5.249) 8.327 1.369 ( 6.275 1.553 -5.249) 8.327 1.480 ( -1.130 -3.059 -0.148) 3.265 1.480 ( 1.130 -3.059 -0.148) 3.265 1.802 ( -1.476 3.341 4.275) 5.623 1.802 ( 1.476 3.341 4.275) 5.623 2.198 ( -7.101 -4.169 2.967) 8.752 2.198 ( 7.101 -4.169 2.967) 8.752 2.275 ( -3.722 -10.607 -0.300) 11.245 2.275 ( 3.722 -10.607 -0.300) 11.245 2.457 ( -5.734 -6.421 -11.257) 14.171 2.457 ( 5.734 -6.421 -11.257) 14.171 2.685 ( -1.081 0.603 -11.056) 11.125 2.685 ( 1.081 0.603 -11.056) 11.125 2.772 ( -2.624 1.578 -2.088) 3.707 2.772 ( 2.624 1.578 -2.088) 3.707 2.947 ( -8.940 0.551 4.903) 10.211 2.947 ( 8.940 0.551 4.903) 10.211 3.190 ( -1.953 2.618 -1.821) 3.740 3.190 ( 1.953 2.618 -1.821) 3.740 3.452 ( -5.740 1.694 -2.627) 6.536 3.452 ( 5.740 1.694 -2.627) 6.536 3.671 ( -4.217 8.025 2.076) 9.300 3.671 ( 4.217 8.025 2.076) 9.300 3.888 ( -8.157 8.462 -4.729) 12.669 3.888 ( 8.157 8.462 -4.729) 12.669 4.197 ( -7.495 7.149 0.596) 10.375 4.197 ( 7.495 7.149 0.596) 10.375 4.832 ( -2.743 0.191 1.927) 3.358 4.832 ( 2.743 0.191 1.927) 3.358 4.991 ( -6.290 -2.327 -3.496) 7.563 4.991 ( 6.290 -2.327 -3.496) 7.563 5.238 ( -2.965 -3.180 4.252) 6.082 5.238 ( 2.965 -3.180 4.252) 6.082 5.403 ( -0.273 1.967 -0.584) 2.070 5.403 ( 0.273 1.967 -0.584) 2.070 5.606 ( -1.207 -0.843 3.029) 3.368 5.606 ( 1.207 -0.843 3.029) 3.368 5.762 ( -2.297 -2.824 -2.097) 4.201 5.762 ( 2.297 -2.824 -2.097) 4.201 6.246 ( -2.236 -6.062 5.397) 8.418 6.246 ( 2.236 -6.062 5.397) 8.418 6.336 ( -0.596 -6.625 3.559) 7.544 6.336 ( 0.596 -6.625 3.559) 7.544 6.918 ( -5.875 7.184 -0.212) 9.282 6.918 ( 5.875 7.184 -0.212) 9.282 7.571 ( -2.245 -4.858 5.575) 7.728 7.571 ( 2.245 -4.858 5.575) 7.728 8.911 ( -8.176 16.117 -7.676) 19.635 8.911 ( 8.176 16.117 -7.676) 19.635 11.106 ( -14.225 -19.057 11.625) 26.471 11.106 ( 14.225 -19.057 11.625) 26.471 11.285 ( -11.997 0.780 12.650) 17.452 11.285 ( 11.997 0.780 12.650) 17.452 11.480 ( -0.977 -12.237 0.876) 12.307 11.480 ( 0.977 -12.237 0.876) 12.307 12.800 ( -5.815 18.293 -11.578) 22.416 12.800 ( 5.815 18.293 -11.578) 22.416 13.407 ( -5.802 0.088 -5.453) 7.963 13.407 ( 5.802 0.088 -5.453) 7.963 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.000 0.311 -1.863) 1.889 1.246 ( 0.000 -9.520 -12.680) 15.856 1.516 ( 0.000 5.991 7.523) 9.617 1.733 ( 0.000 -4.240 -2.868) 5.119 1.773 ( 0.000 -4.969 -0.829) 5.038 1.880 ( 0.000 -10.042 -2.464) 10.340 2.093 ( 0.000 -0.434 -0.163) 0.463 2.117 ( 0.000 -1.218 -1.176) 1.693 2.273 ( 0.000 -0.595 6.723) 6.750 2.313 ( 0.000 -1.286 5.722) 5.865 2.537 ( 0.000 9.113 -1.148) 9.185 2.607 ( 0.000 11.058 -5.745) 12.462 2.824 ( 0.000 2.622 6.348) 6.869 2.856 ( 0.000 3.989 1.972) 4.449 3.051 ( 0.000 1.644 1.227) 2.052 3.084 ( 0.000 -0.673 -3.906) 3.964 3.220 ( 0.000 4.748 12.866) 13.714 3.220 ( 0.000 -0.441 1.565) 1.626 3.241 ( 0.000 2.693 -8.619) 9.030 3.328 ( 0.000 -7.932 -0.185) 7.935 3.618 ( 0.000 0.978 -7.366) 7.431 3.728 ( 0.000 7.005 6.103) 9.290 3.755 ( 0.000 5.863 1.427) 6.034 3.810 ( 0.000 6.653 5.379) 8.556 4.105 ( 0.000 -8.964 8.360) 12.257 4.131 ( 0.000 4.465 -9.327) 10.341 4.416 ( 0.000 4.005 3.201) 5.127 4.419 ( 0.000 -0.434 -8.245) 8.257 4.540 ( 0.000 -0.522 1.127) 1.241 4.609 ( 0.000 7.064 1.274) 7.179 4.649 ( 0.000 -1.499 0.700) 1.655 4.770 ( 0.000 -10.634 0.233) 10.637 4.860 ( 0.000 -0.014 3.260) 3.260 4.985 ( 0.000 -6.317 7.706) 9.964 5.257 ( 0.000 2.977 -9.718) 10.163 5.425 ( 0.000 -4.923 -12.357) 13.302 5.568 ( 0.000 3.470 2.888) 4.515 5.603 ( 0.000 -0.170 4.828) 4.831 5.743 ( 0.000 0.783 -0.151) 0.797 5.802 ( 0.000 -1.062 0.205) 1.081 5.868 ( 0.000 -0.188 -1.256) 1.270 5.884 ( 0.000 3.217 -6.699) 7.431 5.998 ( 0.000 -4.829 -1.322) 5.006 6.077 ( 0.000 -4.390 -4.658) 6.400 6.906 ( 0.000 6.838 11.404) 13.297 7.231 ( 0.000 -8.978 8.421) 12.309 7.316 ( 0.000 1.459 -7.110) 7.258 7.490 ( 0.000 -7.055 -3.156) 7.729 9.694 ( 0.000 0.840 27.244) 27.257 9.696 ( 0.000 10.454 19.855) 22.439 9.781 ( 0.000 14.657 18.574) 23.660 10.362 ( 0.000 14.290 -19.702) 24.338 10.723 ( 0.000 0.363 -20.783) 20.786 10.773 ( 0.000 -0.633 -20.913) 20.922 10.907 ( 0.000 -30.493 3.588) 30.704 11.102 ( 0.000 -21.300 -6.254) 22.199 13.505 ( 0.000 4.562 5.709) 7.308 13.533 ( 0.000 4.329 1.534) 4.592 13.662 ( 0.000 8.473 3.345) 9.109 13.845 ( 0.000 -0.924 -3.193) 3.324 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.12 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 4.221 -0.447 -2.228) 4.794 1.270 ( 2.175 -8.984 -12.432) 15.492 1.455 ( -4.503 6.996 7.762) 11.378 1.750 ( 0.341 -1.407 -3.542) 3.826 1.778 ( 0.449 -6.004 -0.614) 6.052 1.952 ( 5.534 -9.066 -2.381) 10.885 2.070 ( -2.137 -0.455 -0.442) 2.229 2.127 ( -1.299 -4.111 -3.382) 5.480 2.229 ( -7.192 -0.762 9.649) 12.058 2.270 ( 0.846 -1.099 7.514) 7.641 2.557 ( 1.605 9.619 -2.142) 9.985 2.626 ( -1.791 6.167 -2.226) 6.797 2.710 ( 1.505 5.340 -0.972) 5.633 2.798 ( -9.521 -4.276 -1.847) 10.599 2.991 ( -7.330 1.433 0.971) 7.531 3.010 ( -5.635 0.512 -0.847) 5.721 3.103 ( -6.699 1.065 -0.630) 6.812 3.173 ( -2.980 -0.542 8.330) 8.863 3.317 ( 2.060 1.891 -1.214) 3.049 3.425 ( 6.185 2.106 -5.030) 8.245 3.604 ( -5.527 6.759 5.585) 10.364 3.637 ( -4.248 0.359 -0.874) 4.351 3.731 ( -1.422 -0.099 -0.197) 1.439 3.825 ( -1.014 12.938 4.340) 13.684 4.103 ( -3.915 3.075 -5.222) 7.215 4.135 ( 5.321 -5.503 4.707) 8.986 4.411 ( -0.691 8.482 -3.055) 9.042 4.432 ( -4.608 7.601 -4.313) 9.880 4.463 ( 3.274 -0.980 -7.938) 8.642 4.606 ( 2.284 -5.087 5.164) 7.600 4.790 ( 7.075 -5.436 -0.827) 8.961 4.846 ( 5.196 -6.670 2.011) 8.691 4.851 ( 1.467 -1.172 3.814) 4.251 5.098 ( 8.085 -6.120 8.477) 13.216 5.207 ( -1.104 5.871 -8.257) 10.192 5.471 ( 1.857 -6.720 -8.269) 10.815 5.568 ( -0.372 4.989 2.733) 5.701 5.626 ( 1.569 -0.343 3.472) 3.826 5.685 ( -2.953 -0.021 0.629) 3.020 5.751 ( -3.900 1.208 -1.305) 4.286 5.889 ( 4.935 0.266 -1.058) 5.054 5.990 ( 3.606 -1.547 -4.772) 6.178 6.035 ( 4.066 -4.700 0.156) 6.217 6.123 ( 4.046 -4.348 -2.418) 6.412 6.916 ( 1.084 7.568 10.454) 12.951 7.243 ( 0.763 -7.871 5.276) 9.506 7.298 ( -1.226 1.149 -3.851) 4.202 7.474 ( -1.126 -6.480 -2.749) 7.129 9.443 ( -10.605 18.290 14.748) 25.778 9.838 ( 10.046 -3.678 25.904) 28.026 10.089 ( 11.329 10.868 11.976) 19.745 10.115 ( -8.148 13.167 -9.122) 17.971 10.756 ( -0.290 -13.247 -15.650) 20.506 10.922 ( 2.790 -27.097 2.693) 27.373 11.001 ( 16.245 0.397 -17.594) 23.950 11.188 ( 7.915 -11.870 -9.461) 17.119 13.451 ( -7.634 5.999 1.751) 9.866 13.462 ( -4.058 4.419 4.618) 7.571 13.610 ( -4.946 8.408 2.380) 10.041 13.801 ( -4.182 -1.221 -3.944) 5.877 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 7.105 -1.464 -1.907) 7.501 1.317 ( 1.780 -7.818 -10.170) 12.950 1.383 ( -1.656 9.696 5.902) 11.471 1.676 ( -6.332 1.666 -7.421) 9.896 1.822 ( 2.763 -8.242 3.400) 9.334 1.979 ( -5.733 -1.898 2.148) 6.409 2.049 ( -4.976 -6.994 -0.270) 8.588 2.054 ( 3.337 -8.704 -1.791) 9.492 2.121 ( -2.621 1.584 2.706) 4.087 2.311 ( 1.352 -3.295 4.995) 6.134 2.541 ( -5.445 -2.613 -2.072) 6.385 2.552 ( -3.583 3.023 -1.553) 4.938 2.642 ( -4.213 1.591 -0.778) 4.570 2.751 ( -8.346 3.200 1.707) 9.100 2.862 ( 2.203 5.262 -1.613) 5.928 2.890 ( -1.100 1.113 -2.053) 2.581 3.061 ( 1.888 1.744 -2.293) 3.444 3.125 ( -2.985 -1.222 2.842) 4.299 3.264 ( -5.726 4.473 -10.430) 12.712 3.364 ( -11.410 -3.889 -7.077) 13.978 3.473 ( -7.399 -0.658 0.610) 7.453 3.553 ( 0.226 -1.373 2.251) 2.646 3.766 ( -0.828 9.343 2.507) 9.709 3.805 ( -1.582 8.123 -0.440) 8.287 4.003 ( 0.311 7.944 3.060) 8.519 4.226 ( 2.510 9.987 1.861) 10.464 4.373 ( -3.383 10.201 -3.407) 11.274 4.490 ( 3.071 5.857 -10.189) 12.147 4.534 ( 7.876 -3.407 2.397) 8.910 4.682 ( 4.409 -4.883 -0.855) 6.634 4.818 ( 1.970 -5.448 0.355) 5.804 4.945 ( 5.922 -9.400 -2.863) 11.473 4.983 ( 4.866 2.311 7.522) 9.252 5.218 ( 0.650 3.271 -2.913) 4.428 5.262 ( 7.109 -6.800 5.778) 11.409 5.473 ( -1.817 -6.962 -2.730) 7.696 5.558 ( 0.139 4.831 2.405) 5.399 5.624 ( -0.627 1.555 -1.411) 2.191 5.640 ( -1.493 -0.855 1.922) 2.580 5.741 ( 1.054 -1.375 -0.737) 1.883 5.973 ( 3.936 -0.839 0.731) 4.090 6.062 ( 3.442 -2.368 -0.426) 4.200 6.122 ( 4.086 -6.408 1.748) 7.798 6.200 ( 2.645 -5.657 0.464) 6.262 6.953 ( 2.585 9.255 8.099) 12.567 7.218 ( -2.832 2.957 -3.265) 5.238 7.316 ( 2.768 -6.973 5.917) 9.555 7.464 ( 0.233 -6.332 -1.062) 6.425 9.287 ( -4.772 23.828 8.105) 25.617 9.778 ( -14.974 19.213 -15.363) 28.799 10.100 ( 14.438 -12.158 20.501) 27.867 10.517 ( 20.297 2.867 20.303) 28.851 10.741 ( -0.356 -25.490 -7.456) 26.560 10.997 ( 5.465 -21.731 6.157) 23.238 11.303 ( 11.966 1.030 -12.452) 17.300 11.370 ( 8.407 -3.031 -9.037) 12.709 13.262 ( -9.844 9.709 0.582) 13.839 13.360 ( -5.504 4.965 0.351) 7.420 13.478 ( -7.537 7.404 0.385) 10.572 13.686 ( -7.011 -1.806 -5.746) 9.243 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.38 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 3.099 -1.491 -0.852) 3.543 1.346 ( 3.683 -1.957 -0.827) 4.251 1.402 ( 2.535 6.009 -1.934) 6.803 1.553 ( -5.479 0.114 -4.196) 6.902 1.859 ( -1.381 -3.768 -0.437) 4.037 1.873 ( -2.313 -4.615 2.997) 5.969 1.972 ( -1.363 -7.959 2.995) 8.613 2.070 ( -3.016 -7.912 -4.506) 9.592 2.112 ( 2.992 0.061 -0.511) 3.036 2.319 ( 0.114 -0.153 -2.010) 2.019 2.392 ( -8.644 -3.639 -1.380) 9.479 2.470 ( -3.803 -1.400 -0.677) 4.109 2.576 ( -0.224 -0.231 1.540) 1.573 2.642 ( -1.046 -1.231 -2.433) 2.920 2.857 ( -4.726 4.011 -6.619) 9.069 2.922 ( -4.877 2.329 -4.912) 7.303 2.985 ( -4.188 2.381 -9.633) 10.770 3.077 ( -4.183 -2.306 5.040) 6.944 3.193 ( 0.597 2.215 -7.269) 7.622 3.232 ( 0.247 0.145 -4.501) 4.510 3.376 ( 0.887 1.118 -0.716) 1.596 3.590 ( 2.037 -4.468 -4.842) 6.896 3.681 ( -4.789 4.664 -0.748) 6.726 3.764 ( -2.680 1.826 -1.334) 3.507 4.084 ( 4.552 16.277 9.843) 19.559 4.238 ( -2.032 13.305 2.501) 13.690 4.333 ( 1.175 13.551 -2.829) 13.893 4.472 ( -2.894 8.219 -4.796) 9.946 4.731 ( 8.163 -2.277 0.895) 8.522 4.791 ( 7.373 -2.102 -2.820) 8.169 4.877 ( 1.529 0.236 2.297) 2.770 5.021 ( 0.548 -4.307 -2.396) 4.959 5.064 ( 4.230 -3.118 6.530) 8.382 5.205 ( -1.691 -0.976 1.286) 2.338 5.352 ( 2.074 -7.562 2.197) 8.143 5.420 ( -2.640 -5.478 -0.038) 6.081 5.577 ( 1.095 1.935 0.603) 2.304 5.615 ( -0.872 1.027 2.513) 2.851 5.643 ( 2.163 -2.657 -3.307) 4.762 5.742 ( -1.179 -2.552 -2.273) 3.615 6.063 ( 4.809 -2.371 3.873) 6.615 6.122 ( 2.519 -3.053 1.782) 4.341 6.180 ( 1.317 -7.433 2.778) 8.044 6.217 ( -0.825 -6.840 2.231) 7.242 7.016 ( 3.551 10.377 5.592) 12.311 7.157 ( -3.158 7.429 -0.730) 8.105 7.383 ( 3.580 -7.795 6.173) 10.569 7.471 ( -0.043 -7.273 2.107) 7.572 9.251 ( 1.175 26.774 1.032) 26.819 9.512 ( -11.227 23.821 -11.122) 28.586 10.373 ( 11.628 -25.273 10.717) 29.813 10.653 ( -3.113 -32.487 -3.498) 32.823 10.975 ( 19.045 1.076 18.053) 26.264 11.154 ( 9.929 -10.279 9.899) 17.385 11.435 ( 0.232 0.333 -0.714) 0.821 11.464 ( -0.039 -0.845 -0.392) 0.932 13.110 ( -3.983 12.929 -4.245) 14.179 13.244 ( -6.594 11.120 -7.743) 15.070 13.358 ( -2.440 0.865 -0.936) 2.753 13.532 ( -7.813 -2.163 -7.233) 10.865 ======================= Grid point 211 (75/100) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -1.992 0.085 1.450) 2.465 1.376 ( 1.992 0.085 1.450) 2.465 1.460 ( -3.336 0.862 -3.671) 5.035 1.460 ( 3.336 0.862 -3.671) 5.035 1.839 ( -1.520 -1.154 2.262) 2.960 1.839 ( 1.520 -1.154 2.262) 2.960 2.006 ( -3.107 -11.305 -1.433) 11.811 2.006 ( 3.107 -11.305 -1.433) 11.811 2.202 ( -6.456 2.410 -3.236) 7.613 2.202 ( 6.456 2.410 -3.236) 7.613 2.393 ( -3.878 -2.213 -0.580) 4.502 2.393 ( 3.878 -2.213 -0.580) 4.502 2.660 ( -7.005 -1.812 -9.374) 11.842 2.660 ( 7.005 -1.812 -9.374) 11.842 2.725 ( -7.745 -3.671 -6.017) 10.472 2.725 ( 7.745 -3.671 -6.017) 10.472 3.028 ( -3.938 6.188 3.081) 7.955 3.028 ( 3.938 6.188 3.081) 7.955 3.218 ( -1.179 -1.025 -3.803) 4.111 3.218 ( 1.179 -1.025 -3.803) 4.111 3.500 ( -8.154 3.742 -4.979) 10.260 3.500 ( 8.154 3.742 -4.979) 10.260 3.699 ( -3.637 -3.929 -1.958) 5.701 3.699 ( 3.637 -3.929 -1.958) 5.701 4.168 ( -4.033 17.702 5.221) 18.891 4.168 ( 4.033 17.702 5.221) 18.891 4.398 ( -4.057 10.533 -1.534) 11.391 4.398 ( 4.057 10.533 -1.534) 11.391 4.847 ( -3.814 2.036 1.668) 4.634 4.847 ( 3.814 2.036 1.668) 4.634 4.951 ( -6.734 -1.517 -2.601) 7.376 4.951 ( 6.734 -1.517 -2.601) 7.376 5.153 ( -3.789 -4.452 4.847) 7.594 5.153 ( 3.789 -4.452 4.847) 7.594 5.380 ( -1.376 -6.863 0.995) 7.070 5.380 ( 1.376 -6.863 0.995) 7.070 5.596 ( -0.954 0.950 0.589) 1.470 5.596 ( 0.954 0.950 0.589) 1.470 5.698 ( -2.839 -3.291 -2.930) 5.242 5.698 ( 2.839 -3.291 -2.930) 5.242 6.144 ( -1.960 -4.002 3.830) 5.876 6.144 ( 1.960 -4.002 3.830) 5.876 6.187 ( -0.811 -6.797 2.421) 7.260 6.187 ( 0.811 -6.797 2.421) 7.260 7.089 ( -3.571 9.865 2.771) 10.851 7.089 ( 3.571 9.865 2.771) 10.851 7.447 ( -2.416 -7.808 4.957) 9.559 7.447 ( 2.416 -7.808 4.957) 9.559 9.331 ( -6.610 26.665 -5.599) 28.037 9.331 ( 6.610 26.665 -5.599) 28.037 10.555 ( -6.655 -33.582 1.399) 34.263 10.555 ( 6.655 -33.582 1.399) 34.263 11.302 ( -11.686 1.069 11.672) 16.551 11.302 ( 11.686 1.069 11.672) 16.551 11.365 ( -8.451 -2.731 8.536) 12.318 11.365 ( 8.451 -2.731 8.536) 12.318 13.119 ( -4.368 13.698 -8.697) 16.803 13.119 ( 4.368 13.698 -8.697) 16.803 13.394 ( -5.161 -1.901 -6.013) 8.149 13.394 ( 5.161 -1.901 -6.013) 8.149 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.000 -5.756 -10.531) 12.002 1.092 ( 0.000 5.756 -10.531) 12.002 1.651 ( 0.000 -5.761 4.325) 7.203 1.651 ( 0.000 5.761 4.325) 7.203 1.730 ( 0.000 -2.992 -3.412) 4.538 1.730 ( 0.000 2.992 -3.412) 4.538 2.097 ( 0.000 -0.701 -0.979) 1.204 2.097 ( 0.000 0.701 -0.979) 1.204 2.281 ( 0.000 -1.438 7.977) 8.106 2.281 ( 0.000 1.438 7.977) 8.106 2.682 ( 0.000 -3.500 -6.229) 7.145 2.682 ( 0.000 3.500 -6.229) 7.145 2.871 ( 0.000 -1.633 4.647) 4.925 2.871 ( 0.000 1.633 4.647) 4.925 3.073 ( 0.000 -0.679 -2.764) 2.846 3.073 ( 0.000 0.679 -2.764) 2.846 3.220 ( 0.000 -1.389 0.238) 1.409 3.220 ( 0.000 1.389 0.238) 1.409 3.304 ( 0.000 -0.576 0.705) 0.911 3.304 ( 0.000 0.576 0.705) 0.911 3.638 ( 0.000 -4.738 2.727) 5.466 3.638 ( 0.000 4.738 2.727) 5.466 3.906 ( 0.000 -10.274 9.377) 13.909 3.906 ( 0.000 10.274 9.377) 13.909 4.108 ( 0.000 -9.603 -5.367) 11.001 4.108 ( 0.000 9.603 -5.367) 11.001 4.458 ( 0.000 -1.714 2.658) 3.163 4.458 ( 0.000 1.714 2.658) 3.163 4.499 ( 0.000 -3.221 -3.222) 4.556 4.499 ( 0.000 3.221 -3.222) 4.556 4.731 ( 0.000 -2.115 0.500) 2.173 4.731 ( 0.000 2.115 0.500) 2.173 4.876 ( 0.000 -3.815 5.298) 6.529 4.876 ( 0.000 3.815 5.298) 6.529 5.331 ( 0.000 -4.639 -12.467) 13.302 5.331 ( 0.000 4.639 -12.467) 13.302 5.599 ( 0.000 -0.382 3.405) 3.427 5.599 ( 0.000 0.382 3.405) 3.427 5.773 ( 0.000 -1.663 1.082) 1.984 5.773 ( 0.000 1.663 1.082) 1.984 5.899 ( 0.000 -3.778 -1.069) 3.926 5.899 ( 0.000 3.778 -1.069) 3.926 5.979 ( 0.000 -5.247 -5.799) 7.820 5.979 ( 0.000 5.247 -5.799) 7.820 7.058 ( 0.000 -8.727 9.534) 12.925 7.058 ( 0.000 8.727 9.534) 12.925 7.375 ( 0.000 -4.673 -4.508) 6.493 7.375 ( 0.000 4.673 -4.508) 6.493 9.710 ( 0.000 -0.827 27.179) 27.192 9.710 ( 0.000 0.827 27.179) 27.192 10.300 ( 0.000 -30.311 6.841) 31.073 10.300 ( 0.000 30.311 6.841) 31.073 10.666 ( 0.000 -12.595 -15.217) 19.753 10.666 ( 0.000 12.595 -15.217) 19.753 10.784 ( 0.000 -4.962 -18.474) 19.129 10.784 ( 0.000 4.962 -18.474) 19.129 13.561 ( 0.000 -1.089 4.598) 4.725 13.561 ( 0.000 1.089 4.598) 4.725 13.794 ( 0.000 -4.741 -0.675) 4.789 13.794 ( 0.000 4.741 -0.675) 4.789 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 3.084 -5.331 -10.483) 12.158 1.123 ( 3.084 5.331 -10.483) 12.158 1.622 ( -1.334 -8.804 5.183) 10.303 1.622 ( -1.334 8.804 5.183) 10.303 1.795 ( 3.698 -5.610 -3.919) 7.778 1.795 ( 3.698 5.610 -3.919) 7.778 2.075 ( -3.314 -1.271 -1.753) 3.959 2.075 ( -3.314 1.271 -1.753) 3.959 2.242 ( -2.623 -1.549 8.973) 9.477 2.242 ( -2.623 1.549 8.973) 9.477 2.673 ( -4.478 -2.868 -5.771) 7.848 2.673 ( -4.478 2.868 -5.771) 7.848 2.763 ( -2.149 -2.110 1.654) 3.436 2.763 ( -2.149 2.110 1.654) 3.436 3.002 ( -7.142 -0.532 -1.024) 7.234 3.002 ( -7.142 0.532 -1.024) 7.234 3.136 ( -4.013 -1.773 3.864) 5.846 3.136 ( -4.013 1.773 3.864) 5.846 3.409 ( 3.478 -3.699 -7.096) 8.725 3.409 ( 3.478 3.699 -7.096) 8.725 3.623 ( -6.745 -0.704 2.375) 7.185 3.623 ( -6.745 0.704 2.375) 7.185 3.903 ( 5.349 -13.153 11.653) 18.368 3.903 ( 5.349 13.153 11.653) 18.368 4.069 ( -2.941 -7.682 -4.365) 9.312 4.069 ( -2.941 7.682 -4.365) 9.312 4.500 ( 3.161 -3.637 -2.430) 5.397 4.500 ( 3.161 3.637 -2.430) 5.397 4.579 ( 6.710 -4.489 -1.922) 8.298 4.579 ( 6.710 4.489 -1.922) 8.298 4.660 ( -4.542 -5.683 -1.386) 7.406 4.660 ( -4.542 5.683 -1.386) 7.406 4.969 ( 7.181 -7.154 6.800) 12.206 4.969 ( 7.181 7.154 6.800) 12.206 5.334 ( 0.022 -7.185 -8.764) 11.333 5.334 ( 0.022 7.185 -8.764) 11.333 5.618 ( 1.358 -0.634 3.494) 3.802 5.618 ( 1.358 0.634 3.494) 3.802 5.726 ( -3.224 -3.224 0.463) 4.583 5.726 ( -3.224 3.224 0.463) 4.583 5.929 ( 2.592 -3.499 -1.269) 4.536 5.929 ( 2.592 3.499 -1.269) 4.536 6.033 ( 4.052 -3.920 -3.369) 6.568 6.033 ( 4.052 3.920 -3.369) 6.568 7.076 ( 1.869 -8.823 8.640) 12.489 7.076 ( 1.869 8.823 8.640) 12.489 7.362 ( -1.107 -4.923 -3.931) 6.397 7.362 ( -1.107 4.923 -3.931) 6.397 9.721 ( 1.039 -9.537 21.737) 23.760 9.721 ( 1.039 9.537 21.737) 23.760 10.380 ( 2.198 -10.291 2.671) 10.856 10.380 ( 2.198 10.291 2.671) 10.856 10.458 ( -4.694 -5.199 -6.047) 9.254 10.458 ( -4.694 5.199 -6.047) 9.254 11.051 ( 15.527 -3.999 -16.844) 23.255 11.051 ( 15.527 3.999 -16.844) 23.255 13.505 ( -5.204 -0.064 4.263) 6.728 13.505 ( -5.204 0.064 4.263) 6.728 13.745 ( -4.679 -4.974 -1.750) 7.050 13.745 ( -4.679 4.974 -1.750) 7.050 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 5.424 -3.200 -8.111) 10.269 1.212 ( 5.424 3.200 -8.111) 10.269 1.595 ( -1.886 -11.361 1.825) 11.660 1.595 ( -1.886 11.361 1.825) 11.660 1.805 ( -3.161 -9.286 -1.244) 9.888 1.805 ( -3.161 9.286 -1.244) 9.888 1.992 ( -2.503 -1.661 -0.740) 3.094 1.992 ( -2.503 1.661 -0.740) 3.094 2.212 ( -0.722 -5.894 6.391) 8.724 2.212 ( -0.722 5.894 6.391) 8.724 2.536 ( -6.584 -1.799 -3.761) 7.793 2.536 ( -6.584 1.799 -3.761) 7.793 2.741 ( -6.222 -3.917 2.486) 7.762 2.741 ( -6.222 3.917 2.486) 7.762 2.909 ( 2.128 -1.041 -2.687) 3.582 2.909 ( 2.128 1.041 -2.687) 3.582 3.104 ( -0.555 -1.645 1.642) 2.390 3.104 ( -0.555 1.645 1.642) 2.390 3.321 ( -9.696 -1.254 -10.557) 14.388 3.321 ( -9.696 1.254 -10.557) 14.388 3.483 ( -4.831 -2.910 -1.406) 5.813 3.483 ( -4.831 2.910 -1.406) 5.813 3.891 ( -6.349 -0.618 -2.072) 6.707 3.891 ( -6.349 0.618 -2.072) 6.707 4.182 ( 11.236 -10.914 9.842) 18.500 4.182 ( 11.236 10.914 9.842) 18.500 4.526 ( -1.197 -6.877 0.232) 6.984 4.526 ( -1.197 6.877 0.232) 6.984 4.634 ( 3.331 -4.049 -3.744) 6.442 4.634 ( 3.331 4.049 -3.744) 6.442 4.747 ( 9.074 -6.294 -3.479) 11.578 4.747 ( 9.074 6.294 -3.479) 11.578 5.096 ( 4.425 -8.842 5.410) 11.271 5.096 ( 4.425 8.842 5.410) 11.271 5.321 ( -1.618 -7.136 -4.012) 8.345 5.321 ( -1.618 7.136 -4.012) 8.345 5.620 ( -1.266 -1.398 2.591) 3.204 5.620 ( -1.266 1.398 2.591) 3.204 5.690 ( -0.147 -4.116 -0.532) 4.153 5.690 ( -0.147 4.116 -0.532) 4.153 5.996 ( 3.770 -3.424 1.352) 5.269 5.996 ( 3.770 3.424 1.352) 5.269 6.100 ( 2.207 -3.629 -0.340) 4.261 6.100 ( 2.207 3.629 -0.340) 4.261 7.132 ( 3.508 -9.038 7.011) 11.964 7.132 ( 3.508 9.038 7.011) 11.964 7.339 ( -0.973 -6.185 -2.019) 6.578 7.339 ( -0.973 6.185 -2.019) 6.578 9.753 ( 2.220 -22.819 11.847) 25.807 9.753 ( 2.220 22.819 11.847) 25.807 10.207 ( -9.469 -24.574 -10.997) 28.539 10.207 ( -9.469 24.574 -10.997) 28.539 10.681 ( 16.118 -10.708 16.037) 25.133 10.681 ( 16.118 10.708 16.037) 25.133 11.329 ( 10.892 -1.614 -11.422) 15.865 11.329 ( 10.892 1.614 -11.422) 15.865 13.376 ( -6.614 -2.441 2.207) 7.387 13.376 ( -6.614 2.441 2.207) 7.387 13.617 ( -7.647 -5.618 -4.401) 10.460 13.617 ( -7.647 5.618 -4.401) 10.460 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 5.179 -1.157 -3.016) 6.104 1.323 ( 5.179 1.157 -3.016) 6.104 1.531 ( -4.403 -4.445 -2.747) 6.832 1.531 ( -4.403 4.445 -2.747) 6.832 1.767 ( 1.278 -2.913 1.828) 3.669 1.767 ( 1.278 2.913 1.828) 3.669 1.943 ( -3.723 -3.632 -1.217) 5.342 1.943 ( -3.723 3.632 -1.217) 5.342 2.221 ( 2.310 -7.242 2.779) 8.094 2.221 ( 2.310 7.242 2.779) 8.094 2.421 ( -5.206 -4.362 -4.038) 7.902 2.421 ( -5.206 4.362 -4.038) 7.902 2.608 ( -3.607 -2.235 0.592) 4.284 2.608 ( -3.607 2.235 0.592) 4.284 2.919 ( -12.239 -2.668 -10.198) 16.153 2.919 ( -12.239 2.668 -10.198) 16.153 3.036 ( 4.069 -3.754 1.331) 5.693 3.036 ( 4.069 3.754 1.331) 5.693 3.219 ( -1.903 -1.088 -5.823) 6.222 3.219 ( -1.903 1.088 -5.823) 6.222 3.462 ( 3.780 -7.109 -2.483) 8.426 3.462 ( 3.780 7.109 -2.483) 8.426 3.752 ( -7.336 -2.722 -4.592) 9.073 3.752 ( -7.336 2.722 -4.592) 9.073 4.357 ( 5.693 -9.287 8.450) 13.786 4.357 ( 5.693 9.287 8.450) 13.786 4.490 ( -2.102 -7.786 1.747) 8.252 4.490 ( -2.102 7.786 1.747) 8.252 4.765 ( 8.737 -3.096 -2.266) 9.542 4.765 ( 8.737 3.096 -2.266) 9.542 4.904 ( 5.443 -5.546 -1.548) 7.924 4.904 ( 5.443 5.546 -1.548) 7.924 5.146 ( 1.086 -11.009 3.359) 11.561 5.146 ( 1.086 11.009 3.359) 11.561 5.259 ( -4.373 -7.113 -0.386) 8.358 5.259 ( -4.373 7.113 -0.386) 8.358 5.608 ( 0.563 -1.501 -0.350) 1.641 5.608 ( 0.563 1.501 -0.350) 1.641 5.681 ( -1.315 -3.948 -1.290) 4.357 5.681 ( -1.315 3.948 -1.290) 4.357 6.068 ( 3.041 -2.847 3.211) 5.259 6.068 ( 3.041 2.847 3.211) 5.259 6.123 ( 0.213 -2.302 1.790) 2.924 6.123 ( 0.213 2.302 1.790) 2.924 7.209 ( 3.864 -9.162 5.863) 11.543 7.209 ( 3.864 9.162 5.863) 11.543 7.319 ( -1.261 -7.984 1.128) 8.162 7.319 ( -1.261 7.984 1.128) 8.162 9.813 ( 3.801 -30.543 3.458) 30.972 9.813 ( 3.801 30.543 3.458) 30.972 10.038 ( -7.377 -30.181 -7.418) 31.943 10.038 ( -7.377 30.181 -7.418) 31.943 11.027 ( 17.137 -4.090 16.479) 24.124 11.027 ( 17.137 4.090 16.479) 24.124 11.448 ( 0.096 -0.814 -0.557) 0.991 11.448 ( 0.096 0.814 -0.557) 0.991 13.281 ( -1.892 -4.942 -2.761) 5.968 13.281 ( -1.892 4.942 -2.761) 5.968 13.453 ( -8.107 -6.226 -7.004) 12.391 13.453 ( -8.107 6.226 -7.004) 12.391 ======================= Grid point 224 (80/100) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -4.082 -3.773 -0.598) 5.591 1.427 ( -1.511 -3.262 -0.598) 3.644 1.427 ( 1.511 3.262 -0.598) 3.644 1.427 ( 4.082 3.773 -0.598) 5.591 1.846 ( -4.528 -4.214 -0.764) 6.232 1.846 ( 0.357 -3.559 -0.764) 3.657 1.846 ( -0.357 3.559 -0.764) 3.657 1.846 ( 4.528 4.214 -0.764) 6.232 2.308 ( -5.622 -6.365 -0.945) 8.544 2.308 ( 5.161 -6.266 -0.945) 8.172 2.308 ( -5.161 6.266 -0.945) 8.172 2.308 ( 5.622 6.365 -0.945) 8.544 2.665 ( -9.205 -2.253 -7.339) 11.986 2.665 ( -9.077 2.119 -7.339) 11.863 2.665 ( 9.077 -2.119 -7.339) 11.863 2.665 ( 9.205 2.253 -7.339) 11.986 3.147 ( -3.727 -5.379 -0.933) 6.610 3.147 ( 0.331 -5.048 -0.933) 5.144 3.147 ( -0.331 5.048 -0.933) 5.144 3.147 ( 3.727 5.379 -0.933) 6.610 3.596 ( -7.715 -5.729 -4.719) 10.706 3.596 ( 4.172 -4.722 -4.719) 7.872 3.596 ( -4.172 4.722 -4.719) 7.872 3.596 ( 7.715 5.729 -4.719) 10.706 4.439 ( -3.008 -7.839 4.198) 9.387 4.439 ( 2.918 -7.830 4.198) 9.352 4.439 ( -2.918 7.830 4.198) 9.352 4.439 ( 3.008 7.839 4.198) 9.387 4.919 ( -4.568 -3.185 -0.542) 5.595 4.919 ( 4.467 -3.150 -0.542) 5.493 4.919 ( -4.467 3.150 -0.542) 5.493 4.919 ( 4.568 3.185 -0.542) 5.595 5.176 ( -2.807 -9.466 2.005) 10.075 5.176 ( 2.761 -9.462 2.005) 10.059 5.176 ( -2.761 9.462 2.005) 10.059 5.176 ( 2.807 9.466 2.005) 10.075 5.640 ( -2.276 -2.878 -1.802) 4.088 5.640 ( 2.267 -2.876 -1.802) 4.082 5.640 ( -2.267 2.876 -1.802) 4.082 5.640 ( 2.276 2.878 -1.802) 4.088 6.112 ( -1.062 -0.917 2.941) 3.259 6.112 ( -0.256 -0.758 2.941) 3.048 6.112 ( 0.256 0.758 2.941) 3.048 6.112 ( 1.062 0.917 2.941) 3.259 7.279 ( -2.747 -9.521 4.150) 10.743 7.279 ( 2.652 -9.514 4.150) 10.713 7.279 ( -2.652 9.514 4.150) 10.713 7.279 ( 2.747 9.521 4.150) 10.743 9.908 ( -5.538 -32.644 -2.783) 33.227 9.908 ( 5.529 -32.643 -2.783) 33.225 9.908 ( -5.529 32.643 -2.783) 33.225 9.908 ( 5.538 32.644 -2.783) 33.227 11.327 ( -11.437 -1.468 10.666) 15.708 11.327 ( -11.386 1.365 10.666) 15.661 11.327 ( 11.386 -1.365 10.666) 15.661 11.327 ( 11.437 1.468 10.666) 15.708 13.315 ( -4.683 -6.768 -7.052) 10.838 13.315 ( 3.930 -6.647 -7.052) 10.457 13.315 ( -3.930 6.647 -7.052) 10.457 13.315 ( 4.683 6.768 -7.052) 10.838 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 0.000 0.000 -15.199) 15.199 1.457 ( 0.000 0.000 15.199) 15.199 1.541 ( 0.000 0.000 -8.709) 8.709 1.541 ( 0.000 0.000 8.709) 8.709 1.913 ( 0.000 0.000 -8.089) 8.089 1.913 ( 0.000 0.000 8.089) 8.089 2.075 ( 0.000 0.000 -4.404) 4.404 2.075 ( 0.000 0.000 4.404) 4.404 2.332 ( 0.000 0.000 -8.560) 8.560 2.332 ( 0.000 0.000 8.560) 8.560 2.378 ( 0.000 0.000 -2.191) 2.191 2.378 ( 0.000 0.000 2.191) 2.191 2.899 ( 0.000 0.000 -15.441) 15.441 2.899 ( 0.000 0.000 15.441) 15.441 3.010 ( 0.000 0.000 -7.081) 7.081 3.010 ( 0.000 0.000 7.081) 7.081 3.180 ( 0.000 0.000 -7.854) 7.854 3.180 ( 0.000 0.000 7.854) 7.854 3.281 ( 0.000 0.000 -2.879) 2.879 3.281 ( 0.000 0.000 2.879) 2.879 3.583 ( 0.000 0.000 -6.740) 6.740 3.583 ( 0.000 0.000 6.740) 6.740 3.803 ( 0.000 0.000 -21.286) 21.286 3.803 ( 0.000 0.000 21.286) 21.286 3.917 ( 0.000 0.000 -4.952) 4.952 3.917 ( 0.000 0.000 4.952) 4.952 4.185 ( 0.000 0.000 -4.133) 4.133 4.185 ( 0.000 0.000 4.133) 4.133 4.745 ( 0.000 0.000 -4.640) 4.640 4.745 ( 0.000 0.000 4.640) 4.640 4.798 ( 0.000 0.000 -13.839) 13.839 4.798 ( 0.000 0.000 13.839) 13.839 5.029 ( 0.000 0.000 -10.010) 10.010 5.029 ( 0.000 0.000 10.010) 10.010 5.406 ( 0.000 0.000 -9.222) 9.222 5.406 ( 0.000 0.000 9.222) 9.222 5.508 ( 0.000 0.000 -8.211) 8.211 5.508 ( 0.000 0.000 8.211) 8.211 5.706 ( 0.000 0.000 -3.355) 3.355 5.706 ( 0.000 0.000 3.355) 3.355 5.941 ( 0.000 0.000 -3.503) 3.503 5.941 ( 0.000 0.000 3.503) 3.503 6.037 ( 0.000 0.000 -4.356) 4.356 6.037 ( 0.000 0.000 4.356) 4.356 7.072 ( 0.000 0.000 -13.738) 13.738 7.072 ( 0.000 0.000 13.738) 13.738 7.590 ( 0.000 0.000 -6.066) 6.066 7.590 ( 0.000 0.000 6.066) 6.066 9.558 ( 0.000 0.000 -21.538) 21.538 9.558 ( 0.000 0.000 21.538) 21.538 10.226 ( 0.000 0.000 -25.680) 25.680 10.226 ( 0.000 0.000 25.680) 25.680 10.305 ( 0.000 0.000 -25.709) 25.709 10.305 ( 0.000 0.000 25.709) 25.709 11.698 ( 0.000 0.000 -1.026) 1.026 11.698 ( 0.000 0.000 1.026) 1.026 13.274 ( 0.000 0.000 -0.748) 0.748 13.274 ( 0.000 0.000 0.748) 0.748 13.703 ( 0.000 0.000 -8.584) 8.584 13.703 ( 0.000 0.000 8.584) 8.584 ======================= Grid point 254 (82/100) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 1.060 0.000 -13.929) 13.970 1.469 ( 1.060 0.000 13.929) 13.970 1.512 ( -3.189 0.000 -10.615) 11.084 1.512 ( -3.189 0.000 10.615) 11.084 1.929 ( 1.975 0.000 -7.252) 7.516 1.929 ( 1.975 0.000 7.252) 7.516 2.147 ( 6.421 0.000 -6.315) 9.006 2.147 ( 6.421 0.000 6.315) 9.006 2.337 ( -5.148 0.000 -3.141) 6.031 2.337 ( -5.148 0.000 3.141) 6.031 2.337 ( 0.680 0.000 -7.046) 7.078 2.337 ( 0.680 0.000 7.046) 7.078 2.730 ( -5.634 0.000 -13.162) 14.318 2.730 ( -5.634 0.000 13.162) 14.318 3.058 ( -9.889 0.000 -8.563) 13.081 3.058 ( -9.889 0.000 8.563) 13.081 3.182 ( 5.594 0.000 -4.938) 7.462 3.182 ( 5.594 0.000 4.938) 7.462 3.344 ( 3.688 0.000 -4.071) 5.493 3.344 ( 3.688 0.000 4.071) 5.493 3.597 ( 1.231 0.000 -4.308) 4.480 3.597 ( 1.231 0.000 4.308) 4.480 3.718 ( -15.151 0.000 -2.607) 15.374 3.718 ( -15.151 0.000 2.607) 15.374 3.723 ( -4.993 0.000 -25.783) 26.262 3.723 ( -4.993 0.000 25.783) 26.262 4.213 ( 1.177 0.000 -3.589) 3.777 4.213 ( 1.177 0.000 3.589) 3.777 4.761 ( -4.796 0.000 -11.192) 12.177 4.761 ( -4.796 0.000 11.192) 12.177 4.904 ( 11.934 0.000 -5.850) 13.290 4.904 ( 11.934 0.000 5.850) 13.290 4.989 ( 0.336 0.000 -6.526) 6.535 4.989 ( 0.336 0.000 6.526) 6.535 5.485 ( 5.394 0.000 -8.462) 10.035 5.485 ( 5.394 0.000 8.462) 10.035 5.485 ( -2.073 0.000 -5.865) 6.221 5.485 ( -2.073 0.000 5.865) 6.221 5.713 ( 0.460 0.000 -0.715) 0.850 5.713 ( 0.460 0.000 0.715) 0.850 6.009 ( 6.323 0.000 -3.085) 7.036 6.009 ( 6.323 0.000 3.085) 7.036 6.111 ( 6.589 0.000 -2.190) 6.943 6.111 ( 6.589 0.000 2.190) 6.943 7.051 ( -2.178 0.000 -13.504) 13.679 7.051 ( -2.178 0.000 13.504) 13.679 7.578 ( -0.541 0.000 -4.811) 4.841 7.578 ( -0.541 0.000 4.811) 4.841 9.326 ( -17.131 0.000 -20.193) 26.480 9.326 ( -17.131 0.000 20.193) 26.480 10.458 ( 14.294 0.000 -26.085) 29.745 10.458 ( 14.294 0.000 26.085) 29.745 10.491 ( 20.290 0.000 -24.479) 31.795 10.491 ( 20.290 0.000 24.479) 31.795 11.699 ( 0.076 0.000 -0.983) 0.986 11.699 ( 0.076 0.000 0.983) 0.986 13.171 ( -9.846 0.000 -1.136) 9.912 13.171 ( -9.846 0.000 1.136) 9.912 13.660 ( -4.195 0.000 -8.637) 9.602 13.660 ( -4.195 0.000 8.637) 9.602 ======================= Grid point 256 (83/100) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -5.839 0.000 -12.016) 13.359 1.415 ( -5.839 0.000 12.016) 13.359 1.491 ( 0.870 0.000 -10.276) 10.313 1.491 ( 0.870 0.000 10.276) 10.313 1.985 ( 2.017 0.000 -9.999) 10.201 1.985 ( 2.017 0.000 9.999) 10.201 2.204 ( -4.747 0.000 -8.950) 10.131 2.204 ( -4.747 0.000 8.950) 10.131 2.281 ( 4.909 0.000 -11.873) 12.848 2.281 ( 4.909 0.000 11.873) 12.848 2.376 ( 4.039 0.000 -5.103) 6.508 2.376 ( 4.039 0.000 5.103) 6.508 2.700 ( 0.356 0.000 -9.110) 9.117 2.700 ( 0.356 0.000 9.110) 9.117 2.804 ( -14.395 0.000 -12.164) 18.846 2.804 ( -14.395 0.000 12.164) 18.846 3.192 ( -2.879 0.000 -3.576) 4.591 3.192 ( -2.879 0.000 3.576) 4.591 3.383 ( -2.832 0.000 -8.862) 9.304 3.383 ( -2.832 0.000 8.862) 9.304 3.468 ( -5.230 0.000 -9.111) 10.505 3.468 ( -5.230 0.000 9.111) 10.505 3.510 ( -6.879 0.000 -10.582) 12.621 3.510 ( -6.879 0.000 10.582) 12.621 3.757 ( 4.182 0.000 -5.890) 7.224 3.757 ( 4.182 0.000 5.890) 7.224 4.190 ( -2.804 0.000 -7.116) 7.649 4.190 ( -2.804 0.000 7.116) 7.649 4.703 ( 1.016 0.000 -4.859) 4.964 4.703 ( 1.016 0.000 4.859) 4.964 5.023 ( 1.149 0.000 -7.303) 7.393 5.023 ( 1.149 0.000 7.303) 7.393 5.124 ( 9.017 0.000 -4.891) 10.258 5.124 ( 9.017 0.000 4.891) 10.258 5.434 ( -2.685 0.000 -2.485) 3.659 5.434 ( -2.685 0.000 2.485) 3.659 5.587 ( 4.491 0.000 -6.229) 7.679 5.587 ( 4.491 0.000 6.229) 7.679 5.721 ( 0.595 0.000 -2.926) 2.986 5.721 ( 0.595 0.000 2.926) 2.986 6.171 ( 8.960 0.000 -5.005) 10.263 6.171 ( 8.960 0.000 5.005) 10.263 6.259 ( 7.283 0.000 -2.077) 7.573 6.259 ( 7.283 0.000 2.077) 7.573 6.980 ( -4.831 0.000 -11.860) 12.806 6.980 ( -4.831 0.000 11.860) 12.806 7.593 ( 2.194 0.000 -2.748) 3.516 7.593 ( 2.194 0.000 2.748) 3.516 8.990 ( -15.035 0.000 -15.786) 21.800 8.990 ( -15.035 0.000 15.786) 21.800 10.829 ( 21.080 0.000 -25.225) 32.874 10.829 ( 21.080 0.000 25.225) 32.874 10.913 ( 20.031 0.000 -20.611) 28.741 10.913 ( 20.031 0.000 20.611) 28.741 11.702 ( 0.225 0.000 -0.890) 0.918 11.702 ( 0.225 0.000 0.890) 0.918 12.901 ( -16.110 0.000 -5.413) 16.995 12.901 ( -16.110 0.000 5.413) 16.995 13.545 ( -6.817 0.000 -8.286) 10.730 13.545 ( -6.817 0.000 8.286) 10.730 ======================= Grid point 258 (84/100) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -4.480 0.000 -8.316) 9.445 1.305 ( -4.480 0.000 8.316) 9.445 1.498 ( -0.189 0.000 -5.181) 5.185 1.498 ( -0.189 0.000 5.181) 5.185 1.955 ( -2.945 0.000 -5.604) 6.331 1.955 ( -2.945 0.000 5.604) 6.331 2.225 ( 4.199 0.000 -5.506) 6.924 2.225 ( 4.199 0.000 5.506) 6.924 2.312 ( -1.422 0.000 -10.549) 10.644 2.312 ( -1.422 0.000 10.549) 10.644 2.468 ( 2.545 0.000 -3.195) 4.085 2.468 ( 2.545 0.000 3.195) 4.085 2.567 ( -5.968 0.000 -7.439) 9.537 2.567 ( -5.968 0.000 7.439) 9.537 2.708 ( 1.499 0.000 -5.581) 5.779 2.708 ( 1.499 0.000 5.581) 5.779 3.061 ( -10.257 0.000 -8.634) 13.407 3.061 ( -10.257 0.000 8.634) 13.407 3.270 ( -4.354 0.000 -2.961) 5.265 3.270 ( -4.354 0.000 2.961) 5.265 3.466 ( 3.287 0.000 -10.643) 11.139 3.466 ( 3.287 0.000 10.643) 11.139 3.472 ( 1.255 0.000 -3.825) 4.025 3.472 ( 1.255 0.000 3.825) 4.025 3.759 ( -3.931 0.000 -11.184) 11.855 3.759 ( -3.931 0.000 11.184) 11.855 4.161 ( 0.185 0.000 -7.464) 7.466 4.161 ( 0.185 0.000 7.464) 7.466 4.783 ( 5.646 0.000 -2.050) 6.007 4.783 ( 5.646 0.000 2.050) 6.007 5.009 ( -2.375 0.000 -6.420) 6.845 5.009 ( -2.375 0.000 6.420) 6.845 5.261 ( 4.638 0.000 -3.117) 5.588 5.261 ( 4.638 0.000 3.117) 5.588 5.384 ( -2.141 0.000 -0.845) 2.302 5.384 ( -2.141 0.000 0.845) 2.302 5.639 ( 0.609 0.000 -1.591) 1.703 5.639 ( 0.609 0.000 1.591) 1.703 5.754 ( 2.424 0.000 -2.532) 3.505 5.754 ( 2.424 0.000 2.532) 3.505 6.333 ( 6.321 0.000 -3.954) 7.456 6.333 ( 6.321 0.000 3.954) 7.456 6.390 ( 5.606 0.000 -3.700) 6.717 6.390 ( 5.606 0.000 3.700) 6.717 6.870 ( -5.472 0.000 -8.288) 9.932 6.870 ( -5.472 0.000 8.288) 9.932 7.651 ( 2.903 0.000 -1.909) 3.474 7.651 ( 2.903 0.000 1.909) 3.474 8.747 ( -8.587 0.000 -8.842) 12.325 8.747 ( -8.587 0.000 8.842) 12.325 11.249 ( 18.996 0.000 -19.416) 27.163 11.249 ( 18.996 0.000 19.416) 27.163 11.252 ( 12.548 0.000 -12.378) 17.626 11.252 ( 12.548 0.000 12.378) 17.626 11.709 ( 0.488 0.000 -0.795) 0.933 11.709 ( 0.488 0.000 0.795) 0.933 12.562 ( -16.141 0.000 -8.416) 18.204 12.562 ( -16.141 0.000 8.416) 18.204 13.409 ( -5.798 0.000 -5.874) 8.254 13.409 ( -5.798 0.000 5.874) 8.254 ======================= Grid point 260 (85/100) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 0.000 0.000) 0.000 1.256 ( 0.000 0.000 0.000) 0.000 1.493 ( 0.000 0.000 0.000) 0.000 1.493 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 -0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 -0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 -0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.472 ( 0.000 0.000 -0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 -0.000) 0.000 2.780 ( -0.000 0.000 0.000) 0.000 2.881 ( -0.000 0.000 -0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 -0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.677 ( -0.000 0.000 -0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 0.000) 0.000 4.870 ( -0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 -0.000) 0.000 4.959 ( -0.000 0.000 -0.000) 0.000 5.312 ( -0.000 0.000 -0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.357 ( 0.000 0.000 -0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 5.783 ( -0.000 0.000 0.000) 0.000 5.783 ( 0.000 0.000 0.000) 0.000 6.401 ( 0.000 0.000 0.000) 0.000 6.401 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.802 ( 0.000 0.000 0.000) 0.000 6.802 ( 0.000 0.000 0.000) 0.000 7.684 ( 0.000 0.000 0.000) 0.000 7.684 ( 0.000 0.000 0.000) 0.000 8.659 ( 0.000 0.000 0.000) 0.000 8.659 ( 0.000 0.000 0.000) 0.000 11.383 ( 0.000 0.000 -0.000) 0.000 11.383 ( 0.000 0.000 0.000) 0.000 11.480 ( 0.000 0.000 0.000) 0.000 11.480 ( 0.000 0.000 0.000) 0.000 11.716 ( 0.000 0.000 0.000) 0.000 11.716 ( 0.000 0.000 0.000) 0.000 12.360 ( -0.000 0.000 -0.000) 0.000 12.360 ( 0.000 0.000 0.000) 0.000 13.345 ( 0.000 0.000 0.000) 0.000 13.345 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 270 (86/100) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.000 -13.195 -8.723) 15.818 1.249 ( 0.000 -13.195 8.723) 15.818 1.616 ( 0.000 2.525 -8.216) 8.595 1.616 ( 0.000 2.525 8.216) 8.595 1.934 ( 0.000 -2.678 -5.146) 5.801 1.934 ( 0.000 -2.678 5.146) 5.801 2.175 ( 0.000 -6.730 -1.845) 6.978 2.175 ( 0.000 -6.730 1.845) 6.978 2.191 ( 0.000 11.502 -1.205) 11.565 2.191 ( 0.000 11.502 1.205) 11.565 2.466 ( 0.000 2.453 -4.600) 5.213 2.466 ( 0.000 2.453 4.600) 5.213 2.905 ( 0.000 -0.935 -7.606) 7.663 2.905 ( 0.000 -0.935 7.606) 7.663 2.982 ( 0.000 1.651 -1.936) 2.544 2.982 ( 0.000 1.651 1.936) 2.544 3.185 ( 0.000 -0.487 -7.615) 7.631 3.185 ( 0.000 -0.487 7.615) 7.631 3.412 ( 0.000 6.776 -2.753) 7.314 3.412 ( 0.000 6.776 2.753) 7.314 3.535 ( 0.000 -0.326 -0.409) 0.523 3.535 ( 0.000 -0.326 0.409) 0.523 3.783 ( 0.000 1.637 -21.052) 21.116 3.783 ( 0.000 1.637 21.052) 21.116 3.966 ( 0.000 1.070 -0.697) 1.277 3.966 ( 0.000 1.070 0.697) 1.277 4.287 ( 0.000 9.783 -0.687) 9.807 4.287 ( 0.000 9.783 0.687) 9.807 4.668 ( 0.000 -6.722 -8.210) 10.611 4.668 ( 0.000 -6.722 8.210) 10.611 4.794 ( 0.000 -1.585 -9.989) 10.114 4.794 ( 0.000 -1.585 9.989) 10.114 5.028 ( 0.000 -0.011 -10.498) 10.498 5.028 ( 0.000 -0.011 10.498) 10.498 5.309 ( 0.000 -6.922 -9.775) 11.978 5.309 ( 0.000 -6.922 9.775) 11.978 5.589 ( 0.000 5.132 -7.608) 9.177 5.589 ( 0.000 5.132 7.608) 9.177 5.705 ( 0.000 0.306 -2.862) 2.878 5.705 ( 0.000 0.306 2.862) 2.878 5.894 ( 0.000 -3.365 -0.506) 3.403 5.894 ( 0.000 -3.365 0.506) 3.403 6.051 ( 0.000 -0.137 -2.227) 2.232 6.051 ( 0.000 -0.137 2.227) 2.232 7.081 ( 0.000 1.185 -12.757) 12.812 7.081 ( 0.000 1.185 12.757) 12.812 7.528 ( 0.000 -5.864 -6.039) 8.418 7.528 ( 0.000 -5.864 6.039) 8.418 9.681 ( 0.000 12.333 -19.704) 23.245 9.681 ( 0.000 12.333 19.704) 23.245 10.230 ( 0.000 0.360 -24.977) 24.979 10.230 ( 0.000 0.360 24.977) 24.979 10.302 ( 0.000 -0.317 -25.018) 25.020 10.302 ( 0.000 -0.317 25.018) 25.020 11.472 ( 0.000 -21.022 -1.744) 21.094 11.472 ( 0.000 -21.022 1.744) 21.094 13.386 ( 0.000 9.400 -0.536) 9.415 13.386 ( 0.000 9.400 0.536) 9.415 13.720 ( 0.000 1.694 -7.812) 7.993 13.720 ( 0.000 1.694 7.812) 7.993 ======================= Grid point 272 (87/100) ======================= q-point: ( 0.12 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 2.950 -12.392 -7.781) 14.926 1.280 ( 2.950 -12.392 7.781) 14.926 1.564 ( -4.956 1.691 -9.815) 11.125 1.564 ( -4.956 1.691 9.815) 11.125 1.956 ( 2.027 -1.155 -4.723) 5.267 1.956 ( 2.027 -1.155 4.723) 5.267 2.147 ( -0.515 -3.361 -4.201) 5.405 2.147 ( -0.515 -3.361 4.201) 5.405 2.298 ( 7.015 6.979 -2.099) 10.115 2.298 ( 7.015 6.979 2.099) 10.115 2.440 ( -3.359 3.294 -1.318) 4.886 2.440 ( -3.359 3.294 1.318) 4.886 2.718 ( -7.240 -0.591 -9.571) 12.016 2.718 ( -7.240 -0.591 9.571) 12.016 3.040 ( -3.812 -2.050 -0.519) 4.359 3.040 ( -3.812 -2.050 0.519) 4.359 3.143 ( -5.287 -0.528 -7.011) 8.796 3.143 ( -5.287 -0.528 7.011) 8.796 3.389 ( -1.348 -0.316 -4.938) 5.128 3.389 ( -1.348 -0.316 4.938) 5.128 3.588 ( 4.391 2.667 -5.536) 7.552 3.588 ( 4.391 2.667 5.536) 7.552 3.734 ( -3.207 4.982 -16.469) 17.503 3.734 ( -3.207 4.982 16.469) 17.503 3.864 ( -8.699 8.204 -7.677) 14.209 3.864 ( -8.699 8.204 7.677) 14.209 4.248 ( -1.130 4.110 -2.415) 4.899 4.248 ( -1.130 4.110 2.415) 4.899 4.692 ( -0.282 -6.394 -9.746) 11.660 4.692 ( -0.282 -6.394 9.746) 11.660 4.931 ( 7.890 -0.931 -4.952) 9.362 4.931 ( 7.890 -0.931 4.952) 9.362 4.957 ( 0.572 -0.246 -5.614) 5.649 4.957 ( 0.572 -0.246 5.614) 5.649 5.402 ( 5.789 -5.186 -8.903) 11.818 5.402 ( 5.789 -5.186 8.903) 11.818 5.561 ( -2.175 4.290 -5.047) 6.972 5.561 ( -2.175 4.290 5.047) 6.972 5.711 ( 0.439 -0.038 -0.229) 0.497 5.711 ( 0.439 -0.038 0.229) 0.497 5.952 ( 5.370 -3.853 -2.966) 7.244 5.952 ( 5.370 -3.853 2.966) 7.244 6.126 ( 6.558 -0.387 -1.885) 6.835 6.126 ( 6.558 -0.387 1.885) 6.835 7.062 ( -1.866 1.501 -12.254) 12.486 7.062 ( -1.866 1.501 12.254) 12.486 7.521 ( -0.231 -5.494 -4.857) 7.337 7.521 ( -0.231 -5.494 4.857) 7.337 9.447 ( -16.580 12.026 -18.737) 27.759 9.447 ( -16.580 12.026 18.737) 27.759 10.432 ( 13.046 -2.528 -24.288) 27.685 10.432 ( 13.046 -2.528 24.288) 27.685 10.511 ( 20.137 1.788 -23.033) 30.646 10.511 ( 20.137 1.788 23.033) 30.646 11.472 ( 0.023 -20.634 -1.664) 20.701 11.472 ( 0.023 -20.634 1.664) 20.701 13.297 ( -8.517 10.518 -1.021) 13.572 13.297 ( -8.517 10.518 1.021) 13.572 13.674 ( -4.452 1.377 -7.933) 9.200 13.674 ( -4.452 1.377 7.933) 9.200 ======================= Grid point 274 (88/100) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 3.053 -8.425 -3.557) 9.642 1.352 ( 3.053 -8.425 3.557) 9.642 1.452 ( -4.588 0.060 -8.503) 9.662 1.452 ( -4.588 0.060 8.503) 9.662 1.990 ( 0.464 0.071 -5.471) 5.492 1.990 ( 0.464 0.071 5.471) 5.492 2.128 ( -1.860 -5.055 -7.428) 9.175 2.128 ( -1.860 -5.055 7.428) 9.175 2.321 ( -3.981 0.668 -7.796) 8.779 2.321 ( -3.981 0.668 7.796) 8.779 2.462 ( 5.891 5.608 -5.708) 9.937 2.462 ( 5.891 5.608 5.708) 9.937 2.648 ( -2.425 -0.964 -3.976) 4.756 2.648 ( -2.425 -0.964 3.976) 4.756 2.870 ( -11.504 3.737 -9.834) 15.588 2.870 ( -11.504 3.737 9.834) 15.588 3.026 ( -2.373 -7.989 -4.963) 9.700 3.026 ( -2.373 -7.989 4.963) 9.700 3.342 ( -4.578 -5.354 -7.428) 10.237 3.342 ( -4.578 -5.354 7.428) 10.237 3.539 ( -9.263 3.397 -4.261) 10.747 3.539 ( -9.263 3.397 4.261) 10.747 3.645 ( -0.507 9.823 -4.197) 10.694 3.645 ( -0.507 9.823 4.197) 10.694 3.880 ( 5.411 12.615 -3.303) 14.118 3.880 ( 5.411 12.615 3.303) 14.118 4.204 ( -3.070 2.359 -6.199) 7.309 4.204 ( -3.070 2.359 6.199) 7.309 4.686 ( 1.836 -1.942 -4.745) 5.446 4.686 ( 1.836 -1.942 4.745) 5.446 4.983 ( 2.441 -4.010 -6.359) 7.904 4.983 ( 2.441 -4.010 6.359) 7.904 5.120 ( 7.383 -0.331 -5.079) 8.967 5.120 ( 7.383 -0.331 5.079) 8.967 5.459 ( -1.251 0.957 -1.422) 2.122 5.459 ( -1.251 0.957 1.422) 2.122 5.560 ( 3.355 -1.698 -3.270) 4.984 5.560 ( 3.355 -1.698 3.270) 4.984 5.717 ( 0.225 -0.362 -2.947) 2.977 5.717 ( 0.225 -0.362 2.947) 2.977 6.088 ( 7.469 -5.424 -3.596) 9.906 6.088 ( 7.469 -5.424 3.596) 9.906 6.268 ( 6.484 -1.844 -1.540) 6.915 6.268 ( 6.484 -1.844 1.540) 6.915 7.007 ( -3.394 3.232 -10.068) 11.106 7.007 ( -3.394 3.232 10.068) 11.106 7.540 ( 2.304 -5.072 -2.968) 6.312 7.540 ( 2.304 -5.072 2.968) 6.312 9.131 ( -13.851 14.000 -14.536) 24.477 9.131 ( -13.851 14.000 14.536) 24.477 10.758 ( 17.972 -7.879 -22.490) 29.847 10.758 ( 17.972 -7.879 22.490) 29.847 10.931 ( 20.042 1.526 -19.537) 28.031 10.931 ( 20.042 1.526 19.537) 28.031 11.474 ( 0.235 -18.797 -1.474) 18.856 11.474 ( 0.235 -18.797 1.474) 18.856 13.068 ( -13.413 13.547 -4.310) 19.545 13.068 ( -13.413 13.547 4.310) 19.545 13.553 ( -7.122 0.719 -7.770) 10.564 13.553 ( -7.122 0.719 7.770) 10.564 ======================= Grid point 276 (89/100) ======================= q-point: ( 0.38 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -2.884 2.215 -5.843) 6.882 1.329 ( -2.884 2.215 5.843) 6.882 1.458 ( 2.601 -4.335 -1.016) 5.157 1.458 ( 2.601 -4.335 1.016) 5.157 1.955 ( -2.827 1.697 -4.764) 5.793 1.955 ( -2.827 1.697 4.764) 5.793 2.119 ( 1.491 -8.152 -6.914) 10.793 2.119 ( 1.491 -8.152 6.914) 10.793 2.254 ( -3.013 -7.357 -6.676) 10.382 2.254 ( -3.013 -7.357 6.676) 10.382 2.519 ( -7.607 3.264 -4.766) 9.552 2.519 ( -7.607 3.264 4.766) 9.552 2.541 ( 0.167 0.195 -6.467) 6.472 2.541 ( 0.167 0.195 6.467) 6.472 2.745 ( -0.635 0.336 -2.094) 2.214 2.745 ( -0.635 0.336 2.094) 2.214 3.014 ( -0.784 -1.468 -8.393) 8.557 3.014 ( -0.784 -1.468 8.393) 8.557 3.223 ( -4.872 -4.004 -0.665) 6.341 3.223 ( -4.872 -4.004 0.665) 6.341 3.432 ( -1.484 1.892 -6.364) 6.803 3.432 ( -1.484 1.892 6.364) 6.803 3.668 ( 2.612 8.755 -4.292) 10.094 3.668 ( 2.612 8.755 4.292) 10.094 3.888 ( -4.467 13.600 -7.314) 16.075 3.888 ( -4.467 13.600 7.314) 16.075 4.190 ( 1.589 4.284 -7.562) 8.835 4.190 ( 1.589 4.284 7.562) 8.835 4.771 ( 5.813 -1.104 -1.579) 6.124 4.771 ( 5.813 -1.104 1.579) 6.124 4.989 ( -1.986 -1.785 -5.847) 6.428 4.989 ( -1.986 -1.785 5.847) 6.428 5.239 ( 4.352 -2.358 -3.069) 5.825 5.239 ( 4.352 -2.358 3.069) 5.825 5.416 ( -2.127 2.396 -0.405) 3.229 5.416 ( -2.127 2.396 0.405) 3.229 5.624 ( 1.864 -1.752 -2.567) 3.624 5.624 ( 1.864 -1.752 2.567) 3.624 5.728 ( 1.031 -2.420 -2.862) 3.887 5.728 ( 1.031 -2.420 2.862) 3.887 6.230 ( 6.146 -7.030 -2.063) 9.563 6.230 ( 6.146 -7.030 2.063) 9.563 6.361 ( 2.302 -5.284 -0.996) 5.849 6.361 ( 2.302 -5.284 0.996) 5.849 6.942 ( -2.570 7.115 -5.931) 9.612 6.942 ( -2.570 7.115 5.931) 9.612 7.599 ( 2.847 -5.091 -2.036) 6.178 7.599 ( 2.847 -5.091 2.036) 6.178 8.910 ( -7.701 16.144 -8.041) 19.611 8.910 ( -7.701 16.144 8.041) 19.611 11.090 ( 13.165 -18.581 -13.784) 26.619 11.090 ( 13.165 -18.581 13.784) 26.619 11.278 ( 13.640 0.925 -11.863) 18.101 11.278 ( 13.640 0.925 11.863) 18.101 11.483 ( 0.594 -12.582 -1.211) 12.654 11.483 ( 0.594 -12.582 1.211) 12.654 12.800 ( -11.701 18.003 -5.624) 22.196 12.800 ( -11.701 18.003 5.624) 22.196 13.412 ( -5.999 0.132 -5.612) 8.216 13.412 ( -5.999 0.132 5.612) 8.216 ======================= Grid point 278 (90/100) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.000 4.083 0.000) 4.083 1.298 ( 0.000 4.083 0.000) 4.083 1.486 ( 0.000 -2.082 0.000) 2.082 1.486 ( 0.000 -2.082 0.000) 2.082 1.924 ( 0.000 2.140 -0.000) 2.140 1.924 ( 0.000 2.140 0.000) 2.140 2.149 ( -0.000 -11.155 -0.000) 11.155 2.149 ( 0.000 -11.155 0.000) 11.155 2.218 ( 0.000 -8.541 -0.000) 8.541 2.218 ( 0.000 -8.541 0.000) 8.541 2.412 ( 0.000 0.912 -0.000) 0.912 2.412 ( 0.000 0.912 0.000) 0.912 2.551 ( 0.000 -0.799 0.000) 0.799 2.551 ( 0.000 -0.799 0.000) 0.799 2.743 ( -0.000 -4.389 0.000) 4.389 2.743 ( 0.000 -4.389 0.000) 4.389 2.998 ( 0.000 7.341 -0.000) 7.341 2.998 ( 0.000 7.341 0.000) 7.341 3.178 ( 0.000 -2.572 0.000) 2.572 3.178 ( 0.000 -2.572 0.000) 2.572 3.429 ( 0.000 -1.021 0.000) 1.021 3.429 ( 0.000 -1.021 0.000) 1.021 3.729 ( 0.000 1.751 -0.000) 1.751 3.729 ( -0.000 1.751 0.000) 1.751 3.797 ( 0.000 19.991 -0.000) 19.991 3.797 ( 0.000 19.991 0.000) 19.991 4.213 ( 0.000 5.643 0.000) 5.643 4.213 ( 0.000 5.643 0.000) 5.643 4.866 ( -0.000 -0.287 0.000) 0.287 4.866 ( 0.000 -0.287 0.000) 0.287 4.935 ( 0.000 -1.811 -0.000) 1.811 4.935 ( 0.000 -1.811 -0.000) 1.811 5.286 ( 0.000 -2.771 0.000) 2.771 5.286 ( 0.000 -2.771 0.000) 2.771 5.391 ( 0.000 2.600 0.000) 2.600 5.391 ( 0.000 2.600 0.000) 2.600 5.638 ( 0.000 -0.239 0.000) 0.239 5.638 ( 0.000 -0.239 0.000) 0.239 5.744 ( -0.000 -4.251 0.000) 4.251 5.744 ( 0.000 -4.251 0.000) 4.251 6.309 ( 0.000 -7.173 0.000) 7.173 6.309 ( 0.000 -7.173 0.000) 7.173 6.368 ( -0.000 -8.213 0.000) 8.213 6.368 ( 0.000 -8.213 0.000) 8.213 6.915 ( 0.000 9.659 0.000) 9.659 6.915 ( 0.000 9.659 0.000) 9.659 7.631 ( 0.000 -5.167 0.000) 5.167 7.631 ( 0.000 -5.167 0.000) 5.167 8.831 ( 0.000 17.048 0.000) 17.048 8.831 ( 0.000 17.048 0.000) 17.048 11.228 ( 0.000 -27.548 0.000) 27.548 11.228 ( 0.000 -27.548 0.000) 27.548 11.449 ( -0.000 -5.403 -0.000) 5.403 11.449 ( 0.000 -5.403 -0.000) 5.403 11.474 ( -0.000 -0.573 0.000) 0.573 11.474 ( 0.000 -0.573 0.000) 0.573 12.667 ( -0.000 21.099 -0.000) 21.099 12.667 ( 0.000 21.099 0.000) 21.099 13.346 ( 0.000 -0.109 0.000) 0.109 13.346 ( 0.000 -0.109 0.000) 0.109 ======================= Grid point 288 (91/100) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.000 -8.613 -4.808) 9.865 1.031 ( 0.000 -8.613 4.808) 9.865 1.650 ( 0.000 1.390 -4.763) 4.961 1.650 ( 0.000 1.390 4.763) 4.961 1.804 ( 0.000 -8.021 -3.892) 8.915 1.804 ( 0.000 -8.021 3.892) 8.915 2.111 ( 0.000 -0.662 -0.577) 0.879 2.111 ( 0.000 -0.662 0.577) 0.879 2.418 ( 0.000 8.553 -2.561) 8.928 2.418 ( 0.000 8.553 2.561) 8.928 2.480 ( 0.000 0.210 -2.614) 2.622 2.480 ( 0.000 0.210 2.614) 2.622 2.890 ( 0.000 0.336 -0.163) 0.374 2.890 ( 0.000 0.336 0.163) 0.374 3.060 ( 0.000 4.018 -3.181) 5.125 3.060 ( 0.000 4.018 3.181) 5.125 3.172 ( 0.000 0.001 -3.778) 3.778 3.172 ( 0.000 0.001 3.778) 3.778 3.373 ( 0.000 -3.962 -4.173) 5.755 3.373 ( 0.000 -3.962 4.173) 5.755 3.665 ( 0.000 6.139 -11.626) 13.147 3.665 ( 0.000 6.139 11.626) 13.147 3.918 ( 0.000 8.079 -13.581) 15.802 3.918 ( 0.000 8.079 13.581) 15.802 3.947 ( 0.000 1.665 -7.924) 8.097 3.947 ( 0.000 1.665 7.924) 8.097 4.480 ( 0.000 4.535 -2.532) 5.194 4.480 ( 0.000 4.535 2.532) 5.194 4.512 ( 0.000 -5.643 -9.660) 11.188 4.512 ( 0.000 -5.643 9.660) 11.188 4.743 ( 0.000 -2.583 -5.011) 5.638 4.743 ( 0.000 -2.583 5.011) 5.638 5.033 ( 0.000 0.630 -11.311) 11.328 5.033 ( 0.000 0.630 11.311) 11.328 5.175 ( 0.000 -6.669 -10.976) 12.844 5.175 ( 0.000 -6.669 10.976) 12.844 5.645 ( 0.000 0.551 -2.322) 2.387 5.645 ( 0.000 0.551 2.322) 2.387 5.756 ( 0.000 5.069 -2.618) 5.705 5.756 ( 0.000 5.069 2.618) 5.705 5.841 ( 0.000 -1.876 -1.606) 2.470 5.841 ( 0.000 -1.876 1.606) 2.470 6.003 ( 0.000 -4.746 -2.028) 5.161 6.003 ( 0.000 -4.746 2.028) 5.161 7.129 ( 0.000 3.947 -10.097) 10.841 7.129 ( 0.000 3.947 10.097) 10.841 7.392 ( 0.000 -7.600 -6.290) 9.865 7.392 ( 0.000 -7.600 6.290) 9.865 10.003 ( 0.000 20.128 -15.363) 25.321 10.003 ( 0.000 20.128 15.363) 25.321 10.239 ( 0.000 0.527 -22.073) 22.079 10.239 ( 0.000 0.527 22.073) 22.079 10.296 ( 0.000 0.035 -21.975) 21.975 10.296 ( 0.000 0.035 21.975) 21.975 10.992 ( 0.000 -26.973 -4.669) 27.374 10.992 ( 0.000 -26.973 4.669) 27.374 13.549 ( 0.000 6.207 -0.035) 6.207 13.549 ( 0.000 6.207 0.035) 6.207 13.761 ( 0.000 2.169 -5.001) 5.451 13.761 ( 0.000 2.169 5.001) 5.451 ======================= Grid point 290 (92/100) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 3.903 -8.474 -4.228) 10.242 1.070 ( 3.903 -8.474 4.228) 10.242 1.603 ( -4.254 2.953 -6.884) 8.614 1.603 ( -4.254 2.953 6.884) 8.614 1.859 ( 4.411 -7.280 -5.413) 10.087 1.859 ( 4.411 -7.280 5.413) 10.087 2.093 ( -2.111 -1.606 -1.267) 2.940 2.093 ( -2.111 -1.606 1.267) 2.940 2.445 ( 2.408 4.328 -6.195) 7.932 2.445 ( 2.408 4.328 6.195) 7.932 2.468 ( -3.012 0.528 -10.138) 10.589 2.468 ( -3.012 0.528 10.138) 10.589 2.741 ( -6.651 3.380 -3.177) 8.109 2.741 ( -6.651 3.380 3.177) 8.109 3.009 ( -5.879 -0.955 -1.062) 6.050 3.009 ( -5.879 -0.955 1.062) 6.050 3.171 ( -4.738 2.937 -8.236) 9.945 3.171 ( -4.738 2.937 8.236) 9.945 3.335 ( -2.683 -3.851 -5.273) 7.059 3.335 ( -2.683 -3.851 5.273) 7.059 3.646 ( -3.293 2.008 -3.702) 5.346 3.646 ( -3.293 2.008 3.702) 5.346 3.903 ( -0.197 10.542 -10.327) 14.759 3.903 ( -0.197 10.542 10.327) 14.759 3.984 ( 2.054 4.545 -7.218) 8.774 3.984 ( 2.054 4.545 7.218) 8.774 4.386 ( -2.988 9.274 -1.466) 9.853 4.386 ( -2.988 9.274 1.466) 9.853 4.536 ( 2.546 -8.565 -8.814) 12.551 4.536 ( 2.546 -8.565 8.814) 12.551 4.819 ( 1.091 -8.256 -3.286) 8.953 4.819 ( 1.091 -8.256 3.286) 8.953 5.025 ( 4.765 4.954 -9.152) 11.445 5.025 ( 4.765 4.954 9.152) 11.445 5.282 ( 6.179 -7.086 -9.345) 13.256 5.282 ( 6.179 -7.086 9.345) 13.256 5.637 ( -1.320 2.860 -2.442) 3.985 5.637 ( -1.320 2.860 2.442) 3.985 5.721 ( -1.647 1.322 -1.746) 2.740 5.721 ( -1.647 1.322 1.746) 2.740 5.901 ( 5.013 -0.788 -2.777) 5.784 5.901 ( 5.013 -0.788 2.777) 5.784 6.069 ( 5.450 -5.225 -2.613) 7.989 6.069 ( 5.450 -5.225 2.613) 7.989 7.121 ( -0.700 4.624 -9.252) 10.367 7.121 ( -0.700 4.624 9.252) 10.367 7.392 ( 0.282 -7.348 -5.312) 9.071 7.392 ( 0.282 -7.348 5.312) 9.071 9.754 ( -14.685 18.876 -15.975) 28.761 9.754 ( -14.685 18.876 15.975) 28.761 10.348 ( 6.247 -7.034 -22.500) 24.388 10.348 ( 6.247 -7.034 22.500) 24.388 10.563 ( 20.006 3.934 -22.014) 30.006 10.563 ( 20.006 3.934 22.014) 30.006 11.030 ( 4.042 -22.493 -6.056) 23.642 11.030 ( 4.042 -22.493 6.056) 23.642 13.482 ( -6.420 7.272 -1.052) 9.757 13.482 ( -6.420 7.272 1.052) 9.757 13.705 ( -5.312 1.574 -5.348) 7.700 13.705 ( -5.312 1.574 5.348) 7.700 ======================= Grid point 292 (93/100) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 7.070 -7.066 -2.302) 10.257 1.183 ( 7.070 -7.066 2.302) 10.257 1.499 ( -5.275 4.589 -7.227) 10.056 1.499 ( -5.275 4.589 7.227) 10.056 1.935 ( 2.230 -7.211 -6.629) 10.046 1.935 ( 2.230 -7.211 6.629) 10.046 2.030 ( -3.693 -3.980 -2.192) 5.855 2.030 ( -3.693 -3.980 2.192) 5.855 2.327 ( -8.692 1.831 -11.840) 14.802 2.327 ( -8.692 1.831 11.840) 14.802 2.484 ( 0.741 -2.437 -5.234) 5.821 2.484 ( 0.741 -2.437 5.234) 5.821 2.721 ( 1.487 5.581 -5.050) 7.672 2.721 ( 1.487 5.581 5.050) 7.672 2.878 ( -9.194 -0.900 -5.089) 10.547 2.878 ( -9.194 -0.900 5.089) 10.547 3.020 ( -4.376 5.069 -3.955) 7.777 3.020 ( -4.376 5.069 3.955) 7.777 3.244 ( -6.061 -5.052 -4.259) 8.966 3.244 ( -6.061 -5.052 4.259) 8.966 3.534 ( -5.933 -2.042 -4.072) 7.480 3.534 ( -5.933 -2.042 4.072) 7.480 3.811 ( -5.365 5.615 -1.045) 7.836 3.811 ( -5.365 5.615 1.045) 7.836 4.148 ( 9.823 13.282 -10.009) 19.316 4.148 ( 9.823 13.282 10.009) 19.316 4.342 ( -2.385 12.455 -3.228) 13.086 4.342 ( -2.385 12.455 3.228) 13.086 4.617 ( 5.057 -5.438 -4.563) 8.716 4.617 ( 5.057 -5.438 4.563) 8.716 4.868 ( 4.864 -8.015 -3.948) 10.173 4.868 ( 4.864 -8.015 3.948) 10.173 5.128 ( 3.668 1.871 -5.943) 7.230 5.128 ( 3.668 1.871 5.943) 7.230 5.377 ( 2.955 -8.241 -5.602) 10.394 5.377 ( 2.955 -8.241 5.602) 10.394 5.597 ( -1.761 4.061 -1.090) 4.559 5.597 ( -1.761 4.061 1.090) 4.559 5.705 ( -0.546 -1.027 -2.767) 3.001 5.705 ( -0.546 -1.027 2.767) 3.001 6.018 ( 5.980 -1.248 -3.025) 6.817 6.018 ( 5.980 -1.248 3.025) 6.817 6.176 ( 4.327 -6.605 -2.472) 8.273 6.176 ( 4.327 -6.605 2.472) 8.273 7.108 ( -0.320 6.923 -6.840) 9.737 7.108 ( -0.320 6.923 6.840) 9.737 7.416 ( 2.270 -7.381 -3.616) 8.527 7.416 ( 2.270 -7.381 3.616) 8.527 9.495 ( -10.693 23.035 -12.066) 28.116 9.495 ( -10.693 23.035 12.066) 28.116 10.476 ( 5.387 -21.914 -15.059) 27.129 10.476 ( 5.387 -21.914 15.059) 27.129 10.968 ( 19.155 2.382 -18.922) 27.030 10.968 ( 19.155 2.382 18.922) 27.030 11.164 ( 9.088 -11.050 -9.568) 17.212 11.164 ( 9.088 -11.050 9.568) 17.212 13.309 ( -10.067 10.010 -3.401) 14.598 13.309 ( -10.067 10.010 3.401) 14.598 13.563 ( -8.235 0.070 -5.943) 10.156 13.563 ( -8.235 0.070 5.943) 10.156 ======================= Grid point 294 (94/100) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 6.277 -3.042 -1.051) 7.054 1.329 ( 6.277 -3.042 1.051) 7.054 1.424 ( -1.685 2.907 -5.834) 6.732 1.424 ( -1.685 2.907 5.834) 6.732 1.925 ( -1.977 -9.308 -1.602) 9.649 1.925 ( -1.977 -9.308 1.602) 9.649 1.985 ( -1.029 -4.140 -2.087) 4.749 1.985 ( -1.029 -4.140 2.087) 4.749 2.178 ( -5.424 4.144 -8.130) 10.616 2.178 ( -5.424 4.144 8.130) 10.616 2.486 ( -0.190 -5.971 -3.472) 6.910 2.486 ( -0.190 -5.971 3.472) 6.910 2.605 ( -10.963 4.416 -7.110) 13.793 2.605 ( -10.963 4.416 7.110) 13.793 2.717 ( -5.759 -1.773 -8.359) 10.305 2.717 ( -5.759 -1.773 8.359) 10.305 3.049 ( 4.178 3.719 -7.009) 8.967 3.049 ( 4.178 3.719 7.009) 8.967 3.166 ( -0.844 -1.979 -3.356) 3.986 3.166 ( -0.844 -1.979 3.356) 3.986 3.457 ( -1.619 0.376 -6.701) 6.904 3.457 ( -1.619 0.376 6.701) 6.904 3.722 ( -3.642 -1.404 -2.777) 4.790 3.722 ( -3.642 -1.404 2.777) 4.790 4.241 ( -0.796 19.543 -4.765) 20.131 4.241 ( -0.796 19.543 4.765) 20.131 4.346 ( 2.952 10.624 -6.529) 12.815 4.346 ( 2.952 10.624 6.529) 12.815 4.744 ( 7.439 -1.579 -1.222) 7.702 4.744 ( 7.439 -1.579 1.222) 7.702 4.947 ( 1.106 -2.939 -4.106) 5.169 4.947 ( 1.106 -2.939 4.106) 5.169 5.182 ( 2.236 -2.461 -3.822) 5.066 5.182 ( 2.236 -2.461 3.822) 5.066 5.398 ( -0.392 -6.778 -1.991) 7.076 5.398 ( -0.392 -6.778 1.991) 7.076 5.591 ( 1.264 0.111 -1.364) 1.863 5.591 ( 1.264 0.111 1.364) 1.863 5.683 ( -1.813 -1.889 -3.425) 4.311 5.683 ( -1.813 -1.889 3.425) 4.311 6.125 ( 4.447 -3.107 -1.638) 5.667 6.125 ( 4.447 -3.107 1.638) 5.667 6.224 ( 0.432 -7.200 -1.281) 7.325 6.224 ( 0.432 -7.200 1.281) 7.325 7.112 ( 0.531 9.766 -3.570) 10.412 7.112 ( 0.531 9.766 3.570) 10.412 7.471 ( 2.586 -7.914 -2.233) 8.620 7.471 ( 2.586 -7.914 2.233) 8.620 9.330 ( -5.586 26.644 -6.504) 27.990 9.330 ( -5.586 26.644 6.504) 27.990 10.549 ( 2.061 -33.252 -6.616) 33.966 10.549 ( 2.061 -33.252 6.616) 33.966 11.296 ( 12.468 1.055 -12.149) 17.440 11.296 ( 12.468 1.055 12.149) 17.440 11.361 ( 8.915 -2.878 -8.899) 12.921 11.361 ( 8.915 -2.878 8.899) 12.921 13.113 ( -8.273 13.251 -4.076) 16.144 13.113 ( -8.273 13.251 4.076) 16.144 13.402 ( -6.806 -1.568 -4.834) 8.494 13.402 ( -6.806 -1.568 4.834) 8.494 ======================= Grid point 296 (95/100) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 0.000 4.463 -0.000) 4.463 1.390 ( 0.000 4.463 0.000) 4.463 1.422 ( -0.000 -2.571 -0.000) 2.571 1.422 ( 0.000 -2.571 0.000) 2.571 1.921 ( 0.000 -10.368 -0.000) 10.368 1.921 ( 0.000 -10.368 0.000) 10.368 1.953 ( 0.000 -5.420 -0.000) 5.420 1.953 ( -0.000 -5.420 0.000) 5.420 2.125 ( 0.000 5.731 0.000) 5.731 2.125 ( 0.000 5.731 0.000) 5.731 2.479 ( 0.000 4.376 -0.000) 4.376 2.479 ( -0.000 4.376 0.000) 4.376 2.483 ( -0.000 -6.878 -0.000) 6.878 2.483 ( 0.000 -6.878 0.000) 6.878 2.638 ( 0.000 -4.928 -0.000) 4.928 2.638 ( 0.000 -4.928 0.000) 4.928 3.106 ( 0.000 4.033 -0.000) 4.033 3.106 ( 0.000 4.033 0.000) 4.033 3.163 ( 0.000 0.279 -0.000) 0.279 3.163 ( 0.000 0.279 0.000) 0.279 3.449 ( 0.000 3.015 -0.000) 3.015 3.449 ( -0.000 3.015 0.000) 3.015 3.678 ( -0.000 -6.161 -0.000) 6.161 3.678 ( 0.000 -6.161 0.000) 6.161 4.224 ( 0.000 21.522 -0.000) 21.522 4.224 ( 0.000 21.522 0.000) 21.522 4.379 ( 0.000 9.621 0.000) 9.621 4.379 ( 0.000 9.621 0.000) 9.621 4.868 ( -0.000 1.003 0.000) 1.003 4.868 ( 0.000 1.003 0.000) 1.003 4.912 ( -0.000 -0.283 -0.000) 0.283 4.912 ( 0.000 -0.283 -0.000) 0.283 5.210 ( 0.000 -4.439 0.000) 4.439 5.210 ( 0.000 -4.439 0.000) 4.439 5.389 ( 0.000 -5.506 0.000) 5.506 5.389 ( 0.000 -5.506 0.000) 5.506 5.631 ( -0.000 -0.539 -0.000) 0.539 5.631 ( 0.000 -0.539 -0.000) 0.539 5.639 ( -0.000 -4.426 0.000) 4.426 5.639 ( 0.000 -4.426 0.000) 4.426 6.187 ( -0.000 -4.744 0.000) 4.744 6.187 ( 0.000 -4.744 0.000) 4.744 6.210 ( -0.000 -6.589 -0.000) 6.589 6.210 ( 0.000 -6.589 0.000) 6.589 7.119 ( 0.000 10.933 0.000) 10.933 7.119 ( 0.000 10.933 0.000) 10.933 7.500 ( 0.000 -8.185 0.000) 8.185 7.500 ( 0.000 -8.185 0.000) 8.185 9.273 ( 0.000 28.025 0.000) 28.025 9.273 ( 0.000 28.025 0.000) 28.025 10.568 ( 0.000 -36.525 0.000) 36.525 10.568 ( 0.000 -36.525 0.000) 36.525 11.431 ( -0.000 0.380 -0.000) 0.380 11.431 ( 0.000 0.380 -0.000) 0.380 11.460 ( 0.000 -0.870 0.000) 0.870 11.460 ( 0.000 -0.870 0.000) 0.870 13.021 ( -0.000 14.959 -0.000) 14.959 13.021 ( 0.000 14.959 0.000) 14.959 13.327 ( 0.000 -2.349 0.000) 2.349 13.327 ( 0.000 -2.349 0.000) 2.349 ======================= Grid point 306 (96/100) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.000 0.000 0.000) 0.000 0.944 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 -0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 2.109 ( 0.000 0.000 0.000) 0.000 2.109 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 -0.000 -0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.512 ( 0.000 -0.000 0.000) 0.000 2.512 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 -0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 -0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 4.139 ( 0.000 -0.000 -0.000) 0.000 4.139 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 -0.000 -0.000) 0.000 5.055 ( 0.000 0.000 -0.000) 0.000 5.083 ( 0.000 -0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.646 ( 0.000 0.000 0.000) 0.000 5.646 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 -0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 5.905 ( 0.000 -0.000 -0.000) 0.000 5.905 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 -0.000) 0.000 7.206 ( 0.000 0.000 -0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 -0.000 0.000) 0.000 10.240 ( 0.000 0.000 -0.000) 0.000 10.240 ( 0.000 0.000 0.000) 0.000 10.263 ( 0.000 0.000 0.000) 0.000 10.263 ( 0.000 0.000 0.000) 0.000 10.441 ( 0.000 -0.000 0.000) 0.000 10.441 ( 0.000 0.000 0.000) 0.000 10.523 ( 0.000 -0.000 -0.000) 0.000 10.523 ( 0.000 0.000 -0.000) 0.000 13.608 ( 0.000 0.000 0.000) 0.000 13.608 ( 0.000 0.000 0.000) 0.000 13.786 ( 0.000 0.000 0.000) 0.000 13.786 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 310 (97/100) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 4.153 0.000 0.000) 4.153 0.984 ( 4.153 0.000 0.000) 4.153 1.662 ( -2.050 -0.000 0.000) 2.050 1.662 ( -2.050 0.000 -0.000) 2.050 1.752 ( 3.922 -0.000 0.000) 3.922 1.752 ( 3.922 0.000 0.000) 3.922 2.078 ( -3.360 0.000 0.000) 3.360 2.078 ( -3.360 0.000 0.000) 3.360 2.464 ( -0.502 0.000 -0.000) 0.502 2.464 ( -0.502 0.000 0.000) 0.502 2.482 ( -3.783 0.000 -0.000) 3.783 2.482 ( -3.783 0.000 0.000) 3.783 2.792 ( -4.472 -0.000 0.000) 4.472 2.792 ( -4.472 0.000 0.000) 4.472 2.998 ( -6.761 0.000 -0.000) 6.761 2.998 ( -6.761 0.000 -0.000) 6.761 3.228 ( -0.886 0.000 -0.000) 0.886 3.228 ( -0.886 0.000 -0.000) 0.886 3.271 ( -5.458 0.000 0.000) 5.458 3.271 ( -5.458 -0.000 0.000) 5.458 3.665 ( -7.489 0.000 -0.000) 7.489 3.665 ( -7.489 0.000 0.000) 7.489 3.992 ( 3.194 0.000 0.000) 3.194 3.992 ( 3.194 0.000 0.000) 3.194 4.087 ( 2.024 0.000 0.000) 2.024 4.087 ( 2.024 0.000 0.000) 2.024 4.377 ( 5.108 0.000 0.000) 5.108 4.377 ( 5.108 0.000 0.000) 5.108 4.608 ( 3.213 -0.000 0.000) 3.213 4.608 ( 3.213 0.000 0.000) 3.213 4.644 ( -5.400 -0.000 0.000) 5.400 4.644 ( -5.400 0.000 0.000) 5.400 5.129 ( 5.763 0.000 -0.000) 5.763 5.129 ( 5.763 0.000 0.000) 5.763 5.155 ( 4.208 -0.000 -0.000) 4.208 5.155 ( 4.208 0.000 0.000) 4.208 5.661 ( 1.171 -0.000 0.000) 1.171 5.661 ( 1.171 0.000 0.000) 1.171 5.741 ( -4.442 0.000 0.000) 4.442 5.741 ( -4.442 0.000 0.000) 4.442 5.924 ( 4.976 -0.000 0.000) 4.976 5.924 ( 4.976 0.000 0.000) 4.976 5.979 ( 5.090 -0.000 -0.000) 5.090 5.979 ( 5.090 0.000 0.000) 5.090 7.209 ( 0.472 -0.000 -0.000) 0.472 7.209 ( 0.472 0.000 -0.000) 0.472 7.278 ( 0.046 0.000 0.000) 0.046 7.278 ( 0.046 -0.000 0.000) 0.046 10.115 ( -8.009 -0.000 0.000) 8.009 10.115 ( -8.009 -0.000 0.000) 8.009 10.122 ( -7.836 -0.000 -0.000) 7.836 10.122 ( -7.836 0.000 -0.000) 7.836 10.673 ( 16.406 -0.000 0.000) 16.406 10.673 ( 16.406 0.000 0.000) 16.406 10.718 ( 14.682 -0.000 -0.000) 14.682 10.718 ( 14.682 0.000 -0.000) 14.682 13.553 ( -5.252 -0.000 0.000) 5.252 13.553 ( -5.252 0.000 0.000) 5.252 13.723 ( -6.043 0.000 0.000) 6.043 13.723 ( -6.043 0.000 0.000) 6.043 ======================= Grid point 314 (98/100) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 8.420 0.000 0.000) 8.420 1.113 ( 8.420 0.000 0.000) 8.420 1.581 ( -5.852 -0.000 0.000) 5.852 1.581 ( -5.852 0.000 0.000) 5.852 1.808 ( 0.878 0.000 0.000) 0.878 1.808 ( 0.878 0.000 0.000) 0.878 1.996 ( -3.620 0.000 0.000) 3.620 1.996 ( -3.620 0.000 0.000) 3.620 2.375 ( -5.467 0.000 0.000) 5.467 2.375 ( -5.467 0.000 0.000) 5.467 2.430 ( -2.859 -0.000 -0.000) 2.859 2.430 ( -2.859 0.000 0.000) 2.859 2.782 ( 0.215 0.000 0.000) 0.215 2.782 ( 0.215 0.000 0.000) 0.215 2.874 ( -6.912 0.000 -0.000) 6.912 2.874 ( -6.912 0.000 0.000) 6.912 3.135 ( -6.067 -0.000 -0.000) 6.067 3.135 ( -6.067 0.000 -0.000) 6.067 3.138 ( -5.175 -0.000 0.000) 5.175 3.138 ( -5.175 0.000 0.000) 5.175 3.507 ( -5.927 0.000 0.000) 5.927 3.507 ( -5.927 0.000 0.000) 5.927 3.859 ( -8.497 0.000 0.000) 8.497 3.859 ( -8.497 0.000 0.000) 8.497 4.334 ( 12.692 0.000 0.000) 12.692 4.334 ( 12.692 0.000 0.000) 12.692 4.483 ( 3.109 0.000 -0.000) 3.109 4.483 ( 3.109 0.000 0.000) 3.109 4.585 ( 0.899 -0.000 0.000) 0.899 4.585 ( 0.899 0.000 0.000) 0.899 4.716 ( 8.073 -0.000 0.000) 8.073 4.716 ( 8.073 0.000 0.000) 8.073 5.206 ( 1.009 -0.000 -0.000) 1.009 5.206 ( 1.009 -0.000 0.000) 1.009 5.223 ( 2.718 0.000 -0.000) 2.718 5.223 ( 2.718 0.000 0.000) 2.718 5.658 ( -3.524 -0.000 -0.000) 3.524 5.658 ( -3.524 -0.000 0.000) 3.524 5.678 ( 0.143 0.000 -0.000) 0.143 5.678 ( 0.143 0.000 0.000) 0.143 6.036 ( 5.172 -0.000 0.000) 5.172 6.036 ( 5.172 0.000 0.000) 5.172 6.075 ( 4.062 -0.000 -0.000) 4.062 6.075 ( 4.062 0.000 0.000) 4.062 7.233 ( 2.096 -0.000 -0.000) 2.096 7.233 ( 2.096 0.000 0.000) 2.096 7.288 ( 1.105 -0.000 0.000) 1.105 7.288 ( 1.105 0.000 0.000) 1.105 9.978 ( -5.403 -0.000 0.000) 5.403 9.978 ( -5.403 0.000 0.000) 5.403 9.992 ( -5.135 -0.000 -0.000) 5.135 9.992 ( -5.135 0.000 0.000) 5.135 11.024 ( 17.334 -0.000 0.000) 17.334 11.024 ( 17.334 0.000 0.000) 17.334 11.034 ( 15.756 -0.000 -0.000) 15.756 11.034 ( 15.756 0.000 -0.000) 15.756 13.414 ( -7.860 0.000 0.000) 7.860 13.414 ( -7.860 0.000 0.000) 7.860 13.558 ( -9.733 -0.000 0.000) 9.733 13.558 ( -9.733 0.000 0.000) 9.733 ======================= Grid point 318 (99/100) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 8.914 0.000 -0.000) 8.914 1.298 ( 8.914 0.000 0.000) 8.914 1.471 ( -3.814 -0.000 0.000) 3.814 1.471 ( -3.814 0.000 0.000) 3.814 1.800 ( -0.487 0.000 0.000) 0.487 1.800 ( -0.487 0.000 0.000) 0.487 1.934 ( -3.573 0.000 0.000) 3.573 1.934 ( -3.573 0.000 0.000) 3.573 2.295 ( -1.844 -0.000 0.000) 1.844 2.295 ( -1.844 0.000 0.000) 1.844 2.365 ( -3.211 -0.000 -0.000) 3.211 2.365 ( -3.211 0.000 0.000) 3.211 2.673 ( -10.491 0.000 0.000) 10.491 2.673 ( -10.491 0.000 0.000) 10.491 2.680 ( -8.913 -0.000 -0.000) 8.913 2.680 ( -8.913 0.000 -0.000) 8.913 3.104 ( 2.627 -0.000 0.000) 2.627 3.104 ( 2.627 0.000 0.000) 2.627 3.139 ( 2.828 -0.000 -0.000) 2.828 3.139 ( 2.828 0.000 -0.000) 2.828 3.456 ( 0.994 0.000 0.000) 0.994 3.456 ( 0.994 0.000 0.000) 0.994 3.697 ( -7.790 0.000 0.000) 7.790 3.697 ( -7.790 0.000 0.000) 7.790 4.456 ( 1.485 0.000 -0.000) 1.485 4.456 ( 1.485 -0.000 0.000) 1.485 4.500 ( -0.619 0.000 -0.000) 0.619 4.500 ( -0.619 0.000 0.000) 0.619 4.736 ( 11.162 -0.000 -0.000) 11.162 4.736 ( 11.162 -0.000 0.000) 11.162 4.882 ( 6.430 0.000 -0.000) 6.430 4.882 ( 6.430 0.000 0.000) 6.430 5.210 ( -0.295 -0.000 -0.000) 0.295 5.210 ( -0.295 -0.000 0.000) 0.295 5.231 ( -1.430 0.000 -0.000) 1.430 5.231 ( -1.430 0.000 0.000) 1.430 5.609 ( -1.102 0.000 0.000) 1.102 5.609 ( -1.102 0.000 0.000) 1.102 5.660 ( -1.857 0.000 -0.000) 1.857 5.660 ( -1.857 0.000 0.000) 1.857 6.114 ( 2.520 0.000 -0.000) 2.520 6.114 ( 2.520 0.000 0.000) 2.520 6.133 ( 1.604 -0.000 -0.000) 1.604 6.133 ( 1.604 0.000 0.000) 1.604 7.286 ( 2.665 -0.000 -0.000) 2.665 7.286 ( 2.665 -0.000 0.000) 2.665 7.316 ( 1.242 0.000 -0.000) 1.242 7.316 ( 1.242 0.000 0.000) 1.242 9.899 ( -2.401 -0.000 0.000) 2.401 9.899 ( -2.401 0.000 -0.000) 2.401 9.912 ( -2.809 -0.000 -0.000) 2.809 9.912 ( -2.809 0.000 0.000) 2.809 11.316 ( 11.212 0.000 -0.000) 11.212 11.316 ( 11.212 0.000 0.000) 11.212 11.326 ( 11.486 -0.000 -0.000) 11.486 11.326 ( 11.486 -0.000 0.000) 11.486 13.271 ( -5.377 0.000 0.000) 5.377 13.271 ( -5.377 0.000 0.000) 5.377 13.360 ( -8.997 -0.000 0.000) 8.997 13.360 ( -8.997 0.000 0.000) 8.997 ======================= Grid point 322 (100/100) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -2.201 -0.754 0.000) 2.326 1.421 ( -2.201 -0.754 0.000) 2.326 1.421 ( 2.201 0.754 0.000) 2.326 1.421 ( 2.201 0.754 0.000) 2.326 1.839 ( -3.034 -2.022 0.000) 3.646 1.839 ( -3.034 -2.022 0.000) 3.646 1.839 ( 3.034 2.022 0.000) 3.646 1.839 ( 3.034 2.022 0.000) 3.646 2.307 ( -0.275 -10.305 -0.000) 10.308 2.307 ( -0.275 -10.305 0.000) 10.308 2.307 ( 0.275 10.305 0.000) 10.308 2.307 ( 0.275 10.305 0.000) 10.308 2.559 ( -0.066 -3.888 0.000) 3.889 2.559 ( -0.066 -3.888 0.000) 3.889 2.559 ( 0.066 3.888 -0.000) 3.889 2.559 ( 0.066 3.888 0.000) 3.889 3.158 ( -0.680 -1.178 0.000) 1.360 3.158 ( -0.680 -1.178 0.000) 1.360 3.158 ( 0.680 1.178 -0.000) 1.360 3.158 ( 0.680 1.178 0.000) 1.360 3.544 ( -3.212 -5.875 0.000) 6.696 3.544 ( -3.212 -5.875 0.000) 6.696 3.544 ( 3.212 5.875 -0.000) 6.696 3.544 ( 3.212 5.875 0.000) 6.696 4.479 ( -0.292 -2.299 0.000) 2.318 4.479 ( -0.292 -2.299 0.000) 2.318 4.479 ( 0.292 2.299 0.000) 2.318 4.479 ( 0.292 2.299 0.000) 2.318 4.910 ( -3.697 -0.788 0.000) 3.780 4.910 ( -3.697 -0.788 0.000) 3.780 4.910 ( 3.697 0.788 0.000) 3.780 4.910 ( 3.697 0.788 0.000) 3.780 5.205 ( -0.007 -7.378 0.000) 7.378 5.205 ( -0.007 -7.378 0.000) 7.378 5.205 ( 0.007 7.378 0.000) 7.378 5.205 ( 0.007 7.378 0.000) 7.378 5.618 ( -1.380 -0.418 0.000) 1.442 5.618 ( -1.380 -0.418 0.000) 1.442 5.618 ( 1.380 0.418 -0.000) 1.442 5.618 ( 1.380 0.418 0.000) 1.442 6.143 ( -0.264 -0.335 0.000) 0.427 6.143 ( -0.264 -0.335 0.000) 0.427 6.143 ( 0.264 0.335 0.000) 0.427 6.143 ( 0.264 0.335 0.000) 0.427 7.323 ( -0.028 -10.065 0.000) 10.065 7.323 ( -0.028 -10.065 0.000) 10.065 7.323 ( 0.028 10.065 0.000) 10.065 7.323 ( 0.028 10.065 0.000) 10.065 9.879 ( -0.002 -34.376 0.000) 34.376 9.879 ( -0.002 -34.376 0.000) 34.376 9.879 ( 0.002 34.376 0.000) 34.376 9.879 ( 0.002 34.376 0.000) 34.376 11.443 ( -0.134 -0.792 0.000) 0.803 11.443 ( -0.134 -0.792 0.000) 0.803 11.443 ( 0.134 0.792 0.000) 0.803 11.443 ( 0.134 0.792 0.000) 0.803 13.236 ( -0.394 -7.477 -0.000) 7.487 13.236 ( -0.394 -7.477 0.000) 7.487 13.236 ( 0.394 7.477 0.000) 7.487 13.236 ( 0.394 7.477 0.000) 7.487 =================== 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 3/23040 10.0 142.696 130.485 129.198 0.000 0.000 -0.000 3/23040 20.0 16.565 14.826 14.827 0.000 0.000 0.000 3/23040 30.0 6.825 6.422 6.178 0.000 0.000 0.000 3/23040 40.0 4.148 4.022 3.825 0.000 0.000 0.000 3/23040 50.0 3.001 2.963 2.812 0.000 0.000 0.000 3/23040 60.0 2.383 2.383 2.262 0.000 0.000 0.000 3/23040 70.0 2.003 2.021 1.919 0.000 0.000 0.000 3/23040 80.0 1.747 1.776 1.686 0.000 0.000 0.000 3/23040 90.0 1.563 1.598 1.517 0.000 0.000 0.000 3/23040 100.0 1.424 1.462 1.386 0.000 0.000 0.000 3/23040 110.0 1.313 1.354 1.282 0.000 0.000 0.000 3/23040 120.0 1.222 1.265 1.195 0.000 0.000 0.000 3/23040 130.0 1.145 1.189 1.121 0.000 0.000 0.000 3/23040 140.0 1.079 1.123 1.057 0.000 0.000 0.000 3/23040 150.0 1.020 1.065 1.001 0.000 0.000 0.000 3/23040 160.0 0.968 1.013 0.950 0.000 0.000 0.000 3/23040 170.0 0.922 0.966 0.905 0.000 0.000 0.000 3/23040 180.0 0.879 0.923 0.863 0.000 0.000 0.000 3/23040 190.0 0.841 0.884 0.826 0.000 0.000 0.000 3/23040 200.0 0.805 0.848 0.791 0.000 0.000 0.000 3/23040 210.0 0.773 0.814 0.759 0.000 0.000 0.000 3/23040 220.0 0.743 0.783 0.729 0.000 0.000 0.000 3/23040 230.0 0.715 0.755 0.702 0.000 0.000 0.000 3/23040 240.0 0.689 0.728 0.677 0.000 0.000 0.000 3/23040 250.0 0.665 0.703 0.653 0.000 0.000 0.000 3/23040 260.0 0.642 0.679 0.631 0.000 0.000 0.000 3/23040 270.0 0.621 0.657 0.610 0.000 0.000 0.000 3/23040 280.0 0.601 0.637 0.590 0.000 0.000 0.000 3/23040 290.0 0.582 0.617 0.572 0.000 0.000 0.000 3/23040 300.0 0.565 0.599 0.555 0.000 0.000 0.000 3/23040 310.0 0.548 0.582 0.538 0.000 0.000 0.000 3/23040 320.0 0.533 0.565 0.523 0.000 0.000 0.000 3/23040 330.0 0.518 0.550 0.508 0.000 0.000 0.000 3/23040 340.0 0.504 0.535 0.494 0.000 0.000 0.000 3/23040 350.0 0.490 0.521 0.481 0.000 0.000 0.000 3/23040 360.0 0.478 0.508 0.469 0.000 0.000 0.000 3/23040 370.0 0.466 0.495 0.457 0.000 0.000 0.000 3/23040 380.0 0.454 0.483 0.446 0.000 0.000 0.000 3/23040 390.0 0.443 0.471 0.435 0.000 0.000 0.000 3/23040 400.0 0.433 0.460 0.425 0.000 0.000 0.000 3/23040 410.0 0.423 0.450 0.415 0.000 0.000 0.000 3/23040 420.0 0.413 0.440 0.406 0.000 0.000 0.000 3/23040 430.0 0.404 0.430 0.397 0.000 0.000 0.000 3/23040 440.0 0.395 0.421 0.388 0.000 0.000 0.000 3/23040 450.0 0.387 0.412 0.380 0.000 0.000 0.000 3/23040 460.0 0.379 0.403 0.372 0.000 0.000 0.000 3/23040 470.0 0.371 0.395 0.364 0.000 0.000 0.000 3/23040 480.0 0.364 0.387 0.357 0.000 0.000 0.000 3/23040 490.0 0.357 0.380 0.350 0.000 0.000 0.000 3/23040 500.0 0.350 0.373 0.343 0.000 0.000 0.000 3/23040 510.0 0.343 0.366 0.337 0.000 0.000 0.000 3/23040 520.0 0.337 0.359 0.331 0.000 0.000 0.000 3/23040 530.0 0.331 0.352 0.325 0.000 0.000 0.000 3/23040 540.0 0.325 0.346 0.319 0.000 0.000 0.000 3/23040 550.0 0.319 0.340 0.313 0.000 0.000 0.000 3/23040 560.0 0.314 0.334 0.308 0.000 0.000 0.000 3/23040 570.0 0.308 0.329 0.302 0.000 0.000 0.000 3/23040 580.0 0.303 0.323 0.297 0.000 0.000 0.000 3/23040 590.0 0.298 0.318 0.292 0.000 0.000 0.000 3/23040 600.0 0.293 0.313 0.288 0.000 0.000 0.000 3/23040 610.0 0.289 0.308 0.283 0.000 0.000 0.000 3/23040 620.0 0.284 0.303 0.279 0.000 0.000 0.000 3/23040 630.0 0.280 0.298 0.274 0.000 0.000 0.000 3/23040 640.0 0.275 0.294 0.270 0.000 0.000 0.000 3/23040 650.0 0.271 0.289 0.266 0.000 0.000 0.000 3/23040 660.0 0.267 0.285 0.262 0.000 0.000 0.000 3/23040 670.0 0.263 0.281 0.258 0.000 0.000 0.000 3/23040 680.0 0.260 0.277 0.255 0.000 0.000 0.000 3/23040 690.0 0.256 0.273 0.251 0.000 0.000 0.000 3/23040 700.0 0.252 0.269 0.248 0.000 0.000 0.000 3/23040 710.0 0.249 0.265 0.244 0.000 0.000 0.000 3/23040 720.0 0.245 0.262 0.241 0.000 0.000 0.000 3/23040 730.0 0.242 0.258 0.238 0.000 0.000 0.000 3/23040 740.0 0.239 0.255 0.234 0.000 0.000 0.000 3/23040 750.0 0.236 0.252 0.231 0.000 0.000 0.000 3/23040 760.0 0.233 0.248 0.228 0.000 0.000 0.000 3/23040 770.0 0.230 0.245 0.225 0.000 0.000 0.000 3/23040 780.0 0.227 0.242 0.223 0.000 0.000 0.000 3/23040 790.0 0.224 0.239 0.220 0.000 0.000 0.000 3/23040 800.0 0.221 0.236 0.217 0.000 0.000 0.000 3/23040 810.0 0.219 0.233 0.214 0.000 0.000 0.000 3/23040 820.0 0.216 0.230 0.212 0.000 0.000 0.000 3/23040 830.0 0.213 0.228 0.209 0.000 0.000 0.000 3/23040 840.0 0.211 0.225 0.207 0.000 0.000 0.000 3/23040 850.0 0.208 0.222 0.205 0.000 0.000 0.000 3/23040 860.0 0.206 0.220 0.202 0.000 0.000 0.000 3/23040 870.0 0.204 0.217 0.200 0.000 0.000 0.000 3/23040 880.0 0.201 0.215 0.198 0.000 0.000 0.000 3/23040 890.0 0.199 0.213 0.195 0.000 0.000 0.000 3/23040 900.0 0.197 0.210 0.193 0.000 0.000 0.000 3/23040 910.0 0.195 0.208 0.191 0.000 0.000 0.000 3/23040 920.0 0.193 0.206 0.189 0.000 0.000 0.000 3/23040 930.0 0.191 0.204 0.187 0.000 0.000 0.000 3/23040 940.0 0.189 0.201 0.185 0.000 0.000 0.000 3/23040 950.0 0.187 0.199 0.183 0.000 0.000 0.000 3/23040 960.0 0.185 0.197 0.181 0.000 0.000 0.000 3/23040 970.0 0.183 0.195 0.179 0.000 0.000 0.000 3/23040 980.0 0.181 0.193 0.178 0.000 0.000 0.000 3/23040 990.0 0.179 0.191 0.176 0.000 0.000 0.000 3/23040 1000.0 0.178 0.190 0.174 0.000 0.000 0.000 3/23040 Thermal conductivity related properties were written into "kappa-m868.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:27:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|