----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:18:34]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.674545960000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.025700699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.069068570000001 Atomic positions (fractional): *1 B 0.91586456867253 0.25000000000000 0.73804456003448 10.811 2 B 0.08413543132747 0.75000000000000 0.26195543996552 10.811 3 B 0.41586456867253 0.25000000000000 0.76195543996552 10.811 4 B 0.58413543132747 0.75000000000000 0.23804456003448 10.811 *5 O 0.41099451224008 0.01366757253880 0.67541764076882 15.999 6 O 0.58900548775992 0.51366757253880 0.32458235923118 15.999 7 O 0.91099451224008 0.48633242746120 0.82458235923118 15.999 8 O 0.08900548775992 0.98633242746120 0.17541764076882 15.999 *9 O 0.60036588882245 0.75000000000000 0.06846693068448 15.999 10 O 0.39963411117755 0.25000000000000 0.93153306931552 15.999 11 O 0.10036588882245 0.75000000000000 0.43153306931552 15.999 12 O 0.89963411117755 0.25000000000000 0.56846693068448 15.999 13 O 0.58900548775992 0.98633242746120 0.32458235923118 15.999 14 O 0.41099451224008 0.48633242746120 0.67541764076882 15.999 15 O 0.08900548775992 0.51366757253880 0.17541764076882 15.999 16 O 0.91099451224008 0.01366757253880 0.82458235923118 15.999 *17 Nd 0.75777190913581 0.25000000000000 0.08478161201882 144.242 18 Nd 0.24222809086419 0.75000000000000 0.91521838798118 144.242 19 Nd 0.25777190913581 0.25000000000000 0.41521838798118 144.242 20 Nd 0.74222809086419 0.75000000000000 0.58478161201882 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.674545960000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.025700699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.069068570000001 Atomic positions (fractional): *1 B 0.91586456867253 0.25000000000000 0.73804456003448 10.811 > 1 2 B 0.08413543132747 0.75000000000000 0.26195543996552 10.811 > 2 3 B 0.41586456867253 0.25000000000000 0.76195543996552 10.811 > 3 4 B 0.58413543132747 0.75000000000000 0.23804456003448 10.811 > 4 *5 O 0.41099451224008 0.01366757253880 0.67541764076882 15.999 > 5 6 O 0.58900548775992 0.51366757253880 0.32458235923118 15.999 > 6 7 O 0.91099451224008 0.48633242746120 0.82458235923118 15.999 > 7 8 O 0.08900548775992 0.98633242746120 0.17541764076882 15.999 > 8 *9 O 0.60036588882245 0.75000000000000 0.06846693068448 15.999 > 9 10 O 0.39963411117755 0.25000000000000 0.93153306931552 15.999 > 10 11 O 0.10036588882245 0.75000000000000 0.43153306931552 15.999 > 11 12 O 0.89963411117755 0.25000000000000 0.56846693068448 15.999 > 12 13 O 0.58900548775992 0.98633242746120 0.32458235923118 15.999 > 13 14 O 0.41099451224008 0.48633242746120 0.67541764076882 15.999 > 14 15 O 0.08900548775992 0.51366757253880 0.17541764076882 15.999 > 15 16 O 0.91099451224008 0.01366757253880 0.82458235923118 15.999 > 16 *17 Nd 0.75777190913581 0.25000000000000 0.08478161201882 144.242 > 17 18 Nd 0.24222809086419 0.75000000000000 0.91521838798118 144.242 > 18 19 Nd 0.25777190913581 0.25000000000000 0.41521838798118 144.242 > 19 20 Nd 0.74222809086419 0.75000000000000 0.58478161201882 144.242 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.349091920000003 0.000000000000000 0.000000000000000 b 0.000000000000000 10.051401399999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.069068570000001 Atomic positions (fractional): *1 B 0.45793228433627 0.12500000000000 0.73804456003448 10.811 > 1 2 B 0.95793228433627 0.12500000000000 0.73804456003448 10.811 > 1 3 B 0.45793228433627 0.62500000000000 0.73804456003448 10.811 > 1 4 B 0.95793228433627 0.62500000000000 0.73804456003448 10.811 > 1 5 B 0.04206771566373 0.37500000000000 0.26195543996552 10.811 > 2 6 B 0.54206771566373 0.37500000000000 0.26195543996552 10.811 > 2 7 B 0.04206771566373 0.87500000000000 0.26195543996552 10.811 > 2 8 B 0.54206771566373 0.87500000000000 0.26195543996552 10.811 > 2 9 B 0.20793228433627 0.12500000000000 0.76195543996552 10.811 > 3 10 B 0.70793228433627 0.12500000000000 0.76195543996552 10.811 > 3 11 B 0.20793228433627 0.62500000000000 0.76195543996552 10.811 > 3 12 B 0.70793228433627 0.62500000000000 0.76195543996552 10.811 > 3 13 B 0.29206771566373 0.37500000000000 0.23804456003448 10.811 > 4 14 B 0.79206771566373 0.37500000000000 0.23804456003448 10.811 > 4 15 B 0.29206771566373 0.87500000000000 0.23804456003448 10.811 > 4 16 B 0.79206771566373 0.87500000000000 0.23804456003448 10.811 > 4 *17 O 0.20549725612004 0.00683378626940 0.67541764076882 15.999 > 5 18 O 0.70549725612004 0.00683378626940 0.67541764076882 15.999 > 5 19 O 0.20549725612004 0.50683378626940 0.67541764076882 15.999 > 5 20 O 0.70549725612004 0.50683378626940 0.67541764076882 15.999 > 5 21 O 0.29450274387996 0.25683378626940 0.32458235923118 15.999 > 6 22 O 0.79450274387996 0.25683378626940 0.32458235923118 15.999 > 6 23 O 0.29450274387996 0.75683378626940 0.32458235923118 15.999 > 6 24 O 0.79450274387996 0.75683378626940 0.32458235923118 15.999 > 6 25 O 0.45549725612004 0.24316621373060 0.82458235923118 15.999 > 7 26 O 0.95549725612004 0.24316621373060 0.82458235923118 15.999 > 7 27 O 0.45549725612004 0.74316621373060 0.82458235923118 15.999 > 7 28 O 0.95549725612004 0.74316621373060 0.82458235923118 15.999 > 7 29 O 0.04450274387996 0.49316621373060 0.17541764076882 15.999 > 8 30 O 0.54450274387996 0.49316621373060 0.17541764076882 15.999 > 8 31 O 0.04450274387996 0.99316621373060 0.17541764076882 15.999 > 8 32 O 0.54450274387996 0.99316621373060 0.17541764076882 15.999 > 8 *33 O 0.30018294441122 0.37500000000000 0.06846693068448 15.999 > 9 34 O 0.80018294441122 0.37500000000000 0.06846693068448 15.999 > 9 35 O 0.30018294441122 0.87500000000000 0.06846693068448 15.999 > 9 36 O 0.80018294441122 0.87500000000000 0.06846693068448 15.999 > 9 37 O 0.19981705558878 0.12500000000000 0.93153306931552 15.999 > 10 38 O 0.69981705558878 0.12500000000000 0.93153306931552 15.999 > 10 39 O 0.19981705558878 0.62500000000000 0.93153306931552 15.999 > 10 40 O 0.69981705558878 0.62500000000000 0.93153306931552 15.999 > 10 41 O 0.05018294441122 0.37500000000000 0.43153306931552 15.999 > 11 42 O 0.55018294441122 0.37500000000000 0.43153306931552 15.999 > 11 43 O 0.05018294441122 0.87500000000000 0.43153306931552 15.999 > 11 44 O 0.55018294441122 0.87500000000000 0.43153306931552 15.999 > 11 45 O 0.44981705558878 0.12500000000000 0.56846693068448 15.999 > 12 46 O 0.94981705558878 0.12500000000000 0.56846693068448 15.999 > 12 47 O 0.44981705558878 0.62500000000000 0.56846693068448 15.999 > 12 48 O 0.94981705558878 0.62500000000000 0.56846693068448 15.999 > 12 49 O 0.29450274387996 0.49316621373060 0.32458235923118 15.999 > 13 50 O 0.79450274387996 0.49316621373060 0.32458235923118 15.999 > 13 51 O 0.29450274387996 0.99316621373060 0.32458235923118 15.999 > 13 52 O 0.79450274387996 0.99316621373060 0.32458235923118 15.999 > 13 53 O 0.20549725612004 0.24316621373060 0.67541764076882 15.999 > 14 54 O 0.70549725612004 0.24316621373060 0.67541764076882 15.999 > 14 55 O 0.20549725612004 0.74316621373060 0.67541764076882 15.999 > 14 56 O 0.70549725612004 0.74316621373060 0.67541764076882 15.999 > 14 57 O 0.04450274387996 0.25683378626940 0.17541764076882 15.999 > 15 58 O 0.54450274387996 0.25683378626940 0.17541764076882 15.999 > 15 59 O 0.04450274387996 0.75683378626940 0.17541764076882 15.999 > 15 60 O 0.54450274387996 0.75683378626940 0.17541764076882 15.999 > 15 61 O 0.45549725612004 0.00683378626940 0.82458235923118 15.999 > 16 62 O 0.95549725612004 0.00683378626940 0.82458235923118 15.999 > 16 63 O 0.45549725612004 0.50683378626940 0.82458235923118 15.999 > 16 64 O 0.95549725612004 0.50683378626940 0.82458235923118 15.999 > 16 *65 Nd 0.37888595456790 0.12500000000000 0.08478161201882 144.242 > 17 66 Nd 0.87888595456790 0.12500000000000 0.08478161201882 144.242 > 17 67 Nd 0.37888595456790 0.62500000000000 0.08478161201882 144.242 > 17 68 Nd 0.87888595456790 0.62500000000000 0.08478161201882 144.242 > 17 69 Nd 0.12111404543210 0.37500000000000 0.91521838798118 144.242 > 18 70 Nd 0.62111404543210 0.37500000000000 0.91521838798118 144.242 > 18 71 Nd 0.12111404543210 0.87500000000000 0.91521838798118 144.242 > 18 72 Nd 0.62111404543210 0.87500000000000 0.91521838798118 144.242 > 18 73 Nd 0.12888595456790 0.12500000000000 0.41521838798118 144.242 > 19 74 Nd 0.62888595456790 0.12500000000000 0.41521838798118 144.242 > 19 75 Nd 0.12888595456790 0.62500000000000 0.41521838798118 144.242 > 19 76 Nd 0.62888595456790 0.62500000000000 0.41521838798118 144.242 > 19 77 Nd 0.37111404543210 0.37500000000000 0.58478161201882 144.242 > 20 78 Nd 0.87111404543210 0.37500000000000 0.58478161201882 144.242 > 20 79 Nd 0.37111404543210 0.87500000000000 0.58478161201882 144.242 > 20 80 Nd 0.87111404543210 0.87500000000000 0.58478161201882 144.242 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5921402 0.0000000 0.0000000 0.0000000 4.0235200 0.0000000 0.0000000 0.0000000 3.9842726 -------------------------- Born effective charges -------------------------- 1 B 0.7310907 0.0000000 -0.0373705 0.0000000 2.5867659 0.0000000 0.0268970 0.0000000 2.5891657 2 B 0.7310907 0.0000000 -0.0373705 0.0000000 2.5867659 0.0000000 0.0268970 0.0000000 2.5891657 3 B 0.7310907 0.0000000 0.0373705 0.0000000 2.5867659 0.0000000 -0.0268970 0.0000000 2.5891657 4 B 0.7310907 0.0000000 0.0373705 0.0000000 2.5867659 0.0000000 -0.0268970 0.0000000 2.5891657 5 O -1.5745632 0.2262091 0.1226849 0.3352097 -2.4104800 -0.1229988 0.2101499 -0.1820750 -2.1430032 6 O -1.5745632 -0.2262091 0.1226849 -0.3352097 -2.4104800 0.1229988 0.2101499 0.1820750 -2.1430032 7 O -1.5745632 -0.2262091 -0.1226849 -0.3352097 -2.4104800 -0.1229988 -0.2101499 -0.1820750 -2.1430032 8 O -1.5745632 0.2262091 -0.1226849 0.3352097 -2.4104800 0.1229988 -0.2101499 0.1820750 -2.1430032 9 O -1.6179698 0.0000000 -0.3180494 0.0000000 -1.8863476 0.0000000 -0.3951111 0.0000000 -2.4170619 10 O -1.6179698 0.0000000 -0.3180494 0.0000000 -1.8863476 0.0000000 -0.3951111 0.0000000 -2.4170619 11 O -1.6179698 0.0000000 0.3180494 0.0000000 -1.8863476 0.0000000 0.3951111 0.0000000 -2.4170619 12 O -1.6179698 0.0000000 0.3180494 0.0000000 -1.8863476 0.0000000 0.3951111 0.0000000 -2.4170619 13 O -1.5745632 0.2262091 0.1226849 0.3352097 -2.4104800 -0.1229988 0.2101499 -0.1820750 -2.1430032 14 O -1.5745632 -0.2262091 0.1226849 -0.3352097 -2.4104800 0.1229988 0.2101499 0.1820750 -2.1430032 15 O -1.5745632 -0.2262091 -0.1226849 -0.3352097 -2.4104800 -0.1229988 -0.2101499 -0.1820750 -2.1430032 16 O -1.5745632 0.2262091 -0.1226849 0.3352097 -2.4104800 0.1229988 -0.2101499 0.1820750 -2.1430032 17 Nd 4.0360056 0.0000000 -0.1593425 0.0000000 4.1205417 0.0000000 0.1451378 0.0000000 4.1139025 18 Nd 4.0360056 0.0000000 -0.1593425 0.0000000 4.1205417 0.0000000 0.1451378 0.0000000 4.1139025 19 Nd 4.0360056 0.0000000 0.1593425 0.0000000 4.1205417 0.0000000 -0.1451378 0.0000000 4.1139025 20 Nd 4.0360056 0.0000000 0.1593425 0.0000000 4.1205417 0.0000000 -0.1451378 0.0000000 4.1139025 ---------------------------------------------------------------------------- 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: 978 Number of blocks in projector: 978 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: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 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: - (978, 954), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (164, 162), data: True |-- (164, 162), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.714 Solver_block: 200 / 320 - Time: 0.728 Solver_block: 300 / 320 - Time: 0.730 Solver_block: 320 / 320 - Time: 0.189 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.376 --------------------------------- 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: 978 Number of blocks in projector: 978 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: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 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: - (978, 954), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (164, 162), data: True |-- (164, 162), 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 22:18:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:18:46]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.674545960000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.025700699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.069068570000001 Atomic positions (fractional): 1 B 0.91586456867253 0.25000000000000 0.73804456003448 10.811 2 B 0.08413543132747 0.75000000000000 0.26195543996552 10.811 3 B 0.41586456867253 0.25000000000000 0.76195543996552 10.811 4 B 0.58413543132747 0.75000000000000 0.23804456003448 10.811 5 O 0.41099451224008 0.01366757253880 0.67541764076882 15.999 6 O 0.58900548775992 0.51366757253880 0.32458235923118 15.999 7 O 0.91099451224008 0.48633242746120 0.82458235923118 15.999 8 O 0.08900548775992 0.98633242746120 0.17541764076882 15.999 9 O 0.60036588882245 0.75000000000000 0.06846693068448 15.999 10 O 0.39963411117755 0.25000000000000 0.93153306931552 15.999 11 O 0.10036588882245 0.75000000000000 0.43153306931552 15.999 12 O 0.89963411117755 0.25000000000000 0.56846693068448 15.999 13 O 0.58900548775992 0.98633242746120 0.32458235923118 15.999 14 O 0.41099451224008 0.48633242746120 0.67541764076882 15.999 15 O 0.08900548775992 0.51366757253880 0.17541764076882 15.999 16 O 0.91099451224008 0.01366757253880 0.82458235923118 15.999 17 Nd 0.75777190913581 0.25000000000000 0.08478161201882 144.242 18 Nd 0.24222809086419 0.75000000000000 0.91521838798118 144.242 19 Nd 0.25777190913581 0.25000000000000 0.41521838798118 144.242 20 Nd 0.74222809086419 0.75000000000000 0.58478161201882 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.349091920000003 0.000000000000000 0.000000000000000 b 0.000000000000000 10.051401399999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.069068570000001 Atomic positions (fractional): 1 B 0.45793228433627 0.12500000000000 0.73804456003448 10.811 > 1 2 B 0.95793228433627 0.12500000000000 0.73804456003448 10.811 > 1 3 B 0.45793228433627 0.62500000000000 0.73804456003448 10.811 > 1 4 B 0.95793228433627 0.62500000000000 0.73804456003448 10.811 > 1 5 B 0.04206771566373 0.37500000000000 0.26195543996552 10.811 > 5 6 B 0.54206771566373 0.37500000000000 0.26195543996552 10.811 > 5 7 B 0.04206771566373 0.87500000000000 0.26195543996552 10.811 > 5 8 B 0.54206771566373 0.87500000000000 0.26195543996552 10.811 > 5 9 B 0.20793228433627 0.12500000000000 0.76195543996552 10.811 > 9 10 B 0.70793228433627 0.12500000000000 0.76195543996552 10.811 > 9 11 B 0.20793228433627 0.62500000000000 0.76195543996552 10.811 > 9 12 B 0.70793228433627 0.62500000000000 0.76195543996552 10.811 > 9 13 B 0.29206771566373 0.37500000000000 0.23804456003448 10.811 > 13 14 B 0.79206771566373 0.37500000000000 0.23804456003448 10.811 > 13 15 B 0.29206771566373 0.87500000000000 0.23804456003448 10.811 > 13 16 B 0.79206771566373 0.87500000000000 0.23804456003448 10.811 > 13 17 O 0.20549725612004 0.00683378626940 0.67541764076882 15.999 > 17 18 O 0.70549725612004 0.00683378626940 0.67541764076882 15.999 > 17 19 O 0.20549725612004 0.50683378626940 0.67541764076882 15.999 > 17 20 O 0.70549725612004 0.50683378626940 0.67541764076882 15.999 > 17 21 O 0.29450274387996 0.25683378626940 0.32458235923118 15.999 > 21 22 O 0.79450274387996 0.25683378626940 0.32458235923118 15.999 > 21 23 O 0.29450274387996 0.75683378626940 0.32458235923118 15.999 > 21 24 O 0.79450274387996 0.75683378626940 0.32458235923118 15.999 > 21 25 O 0.45549725612004 0.24316621373060 0.82458235923118 15.999 > 25 26 O 0.95549725612004 0.24316621373060 0.82458235923118 15.999 > 25 27 O 0.45549725612004 0.74316621373060 0.82458235923118 15.999 > 25 28 O 0.95549725612004 0.74316621373060 0.82458235923118 15.999 > 25 29 O 0.04450274387996 0.49316621373060 0.17541764076882 15.999 > 29 30 O 0.54450274387996 0.49316621373060 0.17541764076882 15.999 > 29 31 O 0.04450274387996 0.99316621373060 0.17541764076882 15.999 > 29 32 O 0.54450274387996 0.99316621373060 0.17541764076882 15.999 > 29 33 O 0.30018294441122 0.37500000000000 0.06846693068448 15.999 > 33 34 O 0.80018294441122 0.37500000000000 0.06846693068448 15.999 > 33 35 O 0.30018294441122 0.87500000000000 0.06846693068448 15.999 > 33 36 O 0.80018294441122 0.87500000000000 0.06846693068448 15.999 > 33 37 O 0.19981705558878 0.12500000000000 0.93153306931552 15.999 > 37 38 O 0.69981705558878 0.12500000000000 0.93153306931552 15.999 > 37 39 O 0.19981705558878 0.62500000000000 0.93153306931552 15.999 > 37 40 O 0.69981705558878 0.62500000000000 0.93153306931552 15.999 > 37 41 O 0.05018294441122 0.37500000000000 0.43153306931552 15.999 > 41 42 O 0.55018294441122 0.37500000000000 0.43153306931552 15.999 > 41 43 O 0.05018294441122 0.87500000000000 0.43153306931552 15.999 > 41 44 O 0.55018294441122 0.87500000000000 0.43153306931552 15.999 > 41 45 O 0.44981705558878 0.12500000000000 0.56846693068448 15.999 > 45 46 O 0.94981705558878 0.12500000000000 0.56846693068448 15.999 > 45 47 O 0.44981705558878 0.62500000000000 0.56846693068448 15.999 > 45 48 O 0.94981705558878 0.62500000000000 0.56846693068448 15.999 > 45 49 O 0.29450274387996 0.49316621373060 0.32458235923118 15.999 > 49 50 O 0.79450274387996 0.49316621373060 0.32458235923118 15.999 > 49 51 O 0.29450274387996 0.99316621373060 0.32458235923118 15.999 > 49 52 O 0.79450274387996 0.99316621373060 0.32458235923118 15.999 > 49 53 O 0.20549725612004 0.24316621373060 0.67541764076882 15.999 > 53 54 O 0.70549725612004 0.24316621373060 0.67541764076882 15.999 > 53 55 O 0.20549725612004 0.74316621373060 0.67541764076882 15.999 > 53 56 O 0.70549725612004 0.74316621373060 0.67541764076882 15.999 > 53 57 O 0.04450274387996 0.25683378626940 0.17541764076882 15.999 > 57 58 O 0.54450274387996 0.25683378626940 0.17541764076882 15.999 > 57 59 O 0.04450274387996 0.75683378626940 0.17541764076882 15.999 > 57 60 O 0.54450274387996 0.75683378626940 0.17541764076882 15.999 > 57 61 O 0.45549725612004 0.00683378626940 0.82458235923118 15.999 > 61 62 O 0.95549725612004 0.00683378626940 0.82458235923118 15.999 > 61 63 O 0.45549725612004 0.50683378626940 0.82458235923118 15.999 > 61 64 O 0.95549725612004 0.50683378626940 0.82458235923118 15.999 > 61 65 Nd 0.37888595456790 0.12500000000000 0.08478161201882 144.242 > 65 66 Nd 0.87888595456790 0.12500000000000 0.08478161201882 144.242 > 65 67 Nd 0.37888595456790 0.62500000000000 0.08478161201882 144.242 > 65 68 Nd 0.87888595456790 0.62500000000000 0.08478161201882 144.242 > 65 69 Nd 0.12111404543210 0.37500000000000 0.91521838798118 144.242 > 69 70 Nd 0.62111404543210 0.37500000000000 0.91521838798118 144.242 > 69 71 Nd 0.12111404543210 0.87500000000000 0.91521838798118 144.242 > 69 72 Nd 0.62111404543210 0.87500000000000 0.91521838798118 144.242 > 69 73 Nd 0.12888595456790 0.12500000000000 0.41521838798118 144.242 > 73 74 Nd 0.62888595456790 0.12500000000000 0.41521838798118 144.242 > 73 75 Nd 0.12888595456790 0.62500000000000 0.41521838798118 144.242 > 73 76 Nd 0.62888595456790 0.62500000000000 0.41521838798118 144.242 > 73 77 Nd 0.37111404543210 0.37500000000000 0.58478161201882 144.242 > 77 78 Nd 0.87111404543210 0.37500000000000 0.58478161201882 144.242 > 77 79 Nd 0.37111404543210 0.87500000000000 0.58478161201882 144.242 > 77 80 Nd 0.87111404543210 0.87500000000000 0.58478161201882 144.242 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5921402 0.0000000 0.0000000 0.0000000 4.0235200 0.0000000 0.0000000 0.0000000 3.9842726 -------------------------- Born effective charges -------------------------- 1 B 0.7310907 0.0000000 -0.0373705 0.0000000 2.5867659 0.0000000 0.0268970 0.0000000 2.5891657 2 B 0.7310907 0.0000000 -0.0373705 0.0000000 2.5867659 0.0000000 0.0268970 0.0000000 2.5891657 3 B 0.7310907 0.0000000 0.0373705 0.0000000 2.5867659 0.0000000 -0.0268970 0.0000000 2.5891657 4 B 0.7310907 0.0000000 0.0373705 0.0000000 2.5867659 0.0000000 -0.0268970 0.0000000 2.5891657 5 O -1.5745632 0.2262091 0.1226849 0.3352097 -2.4104800 -0.1229988 0.2101499 -0.1820750 -2.1430032 6 O -1.5745632 -0.2262091 0.1226849 -0.3352097 -2.4104800 0.1229988 0.2101499 0.1820750 -2.1430032 7 O -1.5745632 -0.2262091 -0.1226849 -0.3352097 -2.4104800 -0.1229988 -0.2101499 -0.1820750 -2.1430032 8 O -1.5745632 0.2262091 -0.1226849 0.3352097 -2.4104800 0.1229988 -0.2101499 0.1820750 -2.1430032 9 O -1.6179698 0.0000000 -0.3180494 0.0000000 -1.8863476 0.0000000 -0.3951111 0.0000000 -2.4170619 10 O -1.6179698 0.0000000 -0.3180494 0.0000000 -1.8863476 0.0000000 -0.3951111 0.0000000 -2.4170619 11 O -1.6179698 0.0000000 0.3180494 0.0000000 -1.8863476 0.0000000 0.3951111 0.0000000 -2.4170619 12 O -1.6179698 0.0000000 0.3180494 0.0000000 -1.8863476 0.0000000 0.3951111 0.0000000 -2.4170619 13 O -1.5745632 0.2262091 0.1226849 0.3352097 -2.4104800 -0.1229988 0.2101499 -0.1820750 -2.1430032 14 O -1.5745632 -0.2262091 0.1226849 -0.3352097 -2.4104800 0.1229988 0.2101499 0.1820750 -2.1430032 15 O -1.5745632 -0.2262091 -0.1226849 -0.3352097 -2.4104800 -0.1229988 -0.2101499 -0.1820750 -2.1430032 16 O -1.5745632 0.2262091 -0.1226849 0.3352097 -2.4104800 0.1229988 -0.2101499 0.1820750 -2.1430032 17 Nd 4.0360056 0.0000000 -0.1593425 0.0000000 4.1205417 0.0000000 0.1451378 0.0000000 4.1139025 18 Nd 4.0360056 0.0000000 -0.1593425 0.0000000 4.1205417 0.0000000 0.1451378 0.0000000 4.1139025 19 Nd 4.0360056 0.0000000 0.1593425 0.0000000 4.1205417 0.0000000 -0.1451378 0.0000000 4.1139025 20 Nd 4.0360056 0.0000000 0.1593425 0.0000000 4.1205417 0.0000000 -0.1451378 0.0000000 4.1139025 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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: -0.00000017 (yzy) -0.00000017 (yzy) -0.00000017 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xz) -0.00000003 (xz) 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 22:18:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:18:56]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.674545960000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.025700699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.069068570000001 Atomic positions (fractional): 1 B 0.91586456867253 0.25000000000000 0.73804456003448 10.811 2 B 0.08413543132747 0.75000000000000 0.26195543996552 10.811 3 B 0.41586456867253 0.25000000000000 0.76195543996552 10.811 4 B 0.58413543132747 0.75000000000000 0.23804456003448 10.811 5 O 0.41099451224008 0.01366757253880 0.67541764076882 15.999 6 O 0.58900548775992 0.51366757253880 0.32458235923118 15.999 7 O 0.91099451224008 0.48633242746120 0.82458235923118 15.999 8 O 0.08900548775992 0.98633242746120 0.17541764076882 15.999 9 O 0.60036588882245 0.75000000000000 0.06846693068448 15.999 10 O 0.39963411117755 0.25000000000000 0.93153306931552 15.999 11 O 0.10036588882245 0.75000000000000 0.43153306931552 15.999 12 O 0.89963411117755 0.25000000000000 0.56846693068448 15.999 13 O 0.58900548775992 0.98633242746120 0.32458235923118 15.999 14 O 0.41099451224008 0.48633242746120 0.67541764076882 15.999 15 O 0.08900548775992 0.51366757253880 0.17541764076882 15.999 16 O 0.91099451224008 0.01366757253880 0.82458235923118 15.999 17 Nd 0.75777190913581 0.25000000000000 0.08478161201882 144.242 18 Nd 0.24222809086419 0.75000000000000 0.91521838798118 144.242 19 Nd 0.25777190913581 0.25000000000000 0.41521838798118 144.242 20 Nd 0.74222809086419 0.75000000000000 0.58478161201882 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.349091920000003 0.000000000000000 0.000000000000000 b 0.000000000000000 10.051401399999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.069068570000001 Atomic positions (fractional): 1 B 0.45793228433627 0.12500000000000 0.73804456003448 10.811 > 1 2 B 0.95793228433627 0.12500000000000 0.73804456003448 10.811 > 1 3 B 0.45793228433627 0.62500000000000 0.73804456003448 10.811 > 1 4 B 0.95793228433627 0.62500000000000 0.73804456003448 10.811 > 1 5 B 0.04206771566373 0.37500000000000 0.26195543996552 10.811 > 5 6 B 0.54206771566373 0.37500000000000 0.26195543996552 10.811 > 5 7 B 0.04206771566373 0.87500000000000 0.26195543996552 10.811 > 5 8 B 0.54206771566373 0.87500000000000 0.26195543996552 10.811 > 5 9 B 0.20793228433627 0.12500000000000 0.76195543996552 10.811 > 9 10 B 0.70793228433627 0.12500000000000 0.76195543996552 10.811 > 9 11 B 0.20793228433627 0.62500000000000 0.76195543996552 10.811 > 9 12 B 0.70793228433627 0.62500000000000 0.76195543996552 10.811 > 9 13 B 0.29206771566373 0.37500000000000 0.23804456003448 10.811 > 13 14 B 0.79206771566373 0.37500000000000 0.23804456003448 10.811 > 13 15 B 0.29206771566373 0.87500000000000 0.23804456003448 10.811 > 13 16 B 0.79206771566373 0.87500000000000 0.23804456003448 10.811 > 13 17 O 0.20549725612004 0.00683378626940 0.67541764076882 15.999 > 17 18 O 0.70549725612004 0.00683378626940 0.67541764076882 15.999 > 17 19 O 0.20549725612004 0.50683378626940 0.67541764076882 15.999 > 17 20 O 0.70549725612004 0.50683378626940 0.67541764076882 15.999 > 17 21 O 0.29450274387996 0.25683378626940 0.32458235923118 15.999 > 21 22 O 0.79450274387996 0.25683378626940 0.32458235923118 15.999 > 21 23 O 0.29450274387996 0.75683378626940 0.32458235923118 15.999 > 21 24 O 0.79450274387996 0.75683378626940 0.32458235923118 15.999 > 21 25 O 0.45549725612004 0.24316621373060 0.82458235923118 15.999 > 25 26 O 0.95549725612004 0.24316621373060 0.82458235923118 15.999 > 25 27 O 0.45549725612004 0.74316621373060 0.82458235923118 15.999 > 25 28 O 0.95549725612004 0.74316621373060 0.82458235923118 15.999 > 25 29 O 0.04450274387996 0.49316621373060 0.17541764076882 15.999 > 29 30 O 0.54450274387996 0.49316621373060 0.17541764076882 15.999 > 29 31 O 0.04450274387996 0.99316621373060 0.17541764076882 15.999 > 29 32 O 0.54450274387996 0.99316621373060 0.17541764076882 15.999 > 29 33 O 0.30018294441122 0.37500000000000 0.06846693068448 15.999 > 33 34 O 0.80018294441122 0.37500000000000 0.06846693068448 15.999 > 33 35 O 0.30018294441122 0.87500000000000 0.06846693068448 15.999 > 33 36 O 0.80018294441122 0.87500000000000 0.06846693068448 15.999 > 33 37 O 0.19981705558878 0.12500000000000 0.93153306931552 15.999 > 37 38 O 0.69981705558878 0.12500000000000 0.93153306931552 15.999 > 37 39 O 0.19981705558878 0.62500000000000 0.93153306931552 15.999 > 37 40 O 0.69981705558878 0.62500000000000 0.93153306931552 15.999 > 37 41 O 0.05018294441122 0.37500000000000 0.43153306931552 15.999 > 41 42 O 0.55018294441122 0.37500000000000 0.43153306931552 15.999 > 41 43 O 0.05018294441122 0.87500000000000 0.43153306931552 15.999 > 41 44 O 0.55018294441122 0.87500000000000 0.43153306931552 15.999 > 41 45 O 0.44981705558878 0.12500000000000 0.56846693068448 15.999 > 45 46 O 0.94981705558878 0.12500000000000 0.56846693068448 15.999 > 45 47 O 0.44981705558878 0.62500000000000 0.56846693068448 15.999 > 45 48 O 0.94981705558878 0.62500000000000 0.56846693068448 15.999 > 45 49 O 0.29450274387996 0.49316621373060 0.32458235923118 15.999 > 49 50 O 0.79450274387996 0.49316621373060 0.32458235923118 15.999 > 49 51 O 0.29450274387996 0.99316621373060 0.32458235923118 15.999 > 49 52 O 0.79450274387996 0.99316621373060 0.32458235923118 15.999 > 49 53 O 0.20549725612004 0.24316621373060 0.67541764076882 15.999 > 53 54 O 0.70549725612004 0.24316621373060 0.67541764076882 15.999 > 53 55 O 0.20549725612004 0.74316621373060 0.67541764076882 15.999 > 53 56 O 0.70549725612004 0.74316621373060 0.67541764076882 15.999 > 53 57 O 0.04450274387996 0.25683378626940 0.17541764076882 15.999 > 57 58 O 0.54450274387996 0.25683378626940 0.17541764076882 15.999 > 57 59 O 0.04450274387996 0.75683378626940 0.17541764076882 15.999 > 57 60 O 0.54450274387996 0.75683378626940 0.17541764076882 15.999 > 57 61 O 0.45549725612004 0.00683378626940 0.82458235923118 15.999 > 61 62 O 0.95549725612004 0.00683378626940 0.82458235923118 15.999 > 61 63 O 0.45549725612004 0.50683378626940 0.82458235923118 15.999 > 61 64 O 0.95549725612004 0.50683378626940 0.82458235923118 15.999 > 61 65 Nd 0.37888595456790 0.12500000000000 0.08478161201882 144.242 > 65 66 Nd 0.87888595456790 0.12500000000000 0.08478161201882 144.242 > 65 67 Nd 0.37888595456790 0.62500000000000 0.08478161201882 144.242 > 65 68 Nd 0.87888595456790 0.62500000000000 0.08478161201882 144.242 > 65 69 Nd 0.12111404543210 0.37500000000000 0.91521838798118 144.242 > 69 70 Nd 0.62111404543210 0.37500000000000 0.91521838798118 144.242 > 69 71 Nd 0.12111404543210 0.87500000000000 0.91521838798118 144.242 > 69 72 Nd 0.62111404543210 0.87500000000000 0.91521838798118 144.242 > 69 73 Nd 0.12888595456790 0.12500000000000 0.41521838798118 144.242 > 73 74 Nd 0.62888595456790 0.12500000000000 0.41521838798118 144.242 > 73 75 Nd 0.12888595456790 0.62500000000000 0.41521838798118 144.242 > 73 76 Nd 0.62888595456790 0.62500000000000 0.41521838798118 144.242 > 73 77 Nd 0.37111404543210 0.37500000000000 0.58478161201882 144.242 > 77 78 Nd 0.87111404543210 0.37500000000000 0.58478161201882 144.242 > 77 79 Nd 0.37111404543210 0.87500000000000 0.58478161201882 144.242 > 77 80 Nd 0.87111404543210 0.87500000000000 0.58478161201882 144.242 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5921402 0.0000000 0.0000000 0.0000000 4.0235200 0.0000000 0.0000000 0.0000000 3.9842726 -------------------------- Born effective charges -------------------------- 1 B 0.7310907 0.0000000 -0.0373705 0.0000000 2.5867659 0.0000000 0.0268970 0.0000000 2.5891657 2 B 0.7310907 0.0000000 -0.0373705 0.0000000 2.5867659 0.0000000 0.0268970 0.0000000 2.5891657 3 B 0.7310907 0.0000000 0.0373705 0.0000000 2.5867659 0.0000000 -0.0268970 0.0000000 2.5891657 4 B 0.7310907 0.0000000 0.0373705 0.0000000 2.5867659 0.0000000 -0.0268970 0.0000000 2.5891657 5 O -1.5745632 0.2262091 0.1226849 0.3352097 -2.4104800 -0.1229988 0.2101499 -0.1820750 -2.1430032 6 O -1.5745632 -0.2262091 0.1226849 -0.3352097 -2.4104800 0.1229988 0.2101499 0.1820750 -2.1430032 7 O -1.5745632 -0.2262091 -0.1226849 -0.3352097 -2.4104800 -0.1229988 -0.2101499 -0.1820750 -2.1430032 8 O -1.5745632 0.2262091 -0.1226849 0.3352097 -2.4104800 0.1229988 -0.2101499 0.1820750 -2.1430032 9 O -1.6179698 0.0000000 -0.3180494 0.0000000 -1.8863476 0.0000000 -0.3951111 0.0000000 -2.4170619 10 O -1.6179698 0.0000000 -0.3180494 0.0000000 -1.8863476 0.0000000 -0.3951111 0.0000000 -2.4170619 11 O -1.6179698 0.0000000 0.3180494 0.0000000 -1.8863476 0.0000000 0.3951111 0.0000000 -2.4170619 12 O -1.6179698 0.0000000 0.3180494 0.0000000 -1.8863476 0.0000000 0.3951111 0.0000000 -2.4170619 13 O -1.5745632 0.2262091 0.1226849 0.3352097 -2.4104800 -0.1229988 0.2101499 -0.1820750 -2.1430032 14 O -1.5745632 -0.2262091 0.1226849 -0.3352097 -2.4104800 0.1229988 0.2101499 0.1820750 -2.1430032 15 O -1.5745632 -0.2262091 -0.1226849 -0.3352097 -2.4104800 -0.1229988 -0.2101499 -0.1820750 -2.1430032 16 O -1.5745632 0.2262091 -0.1226849 0.3352097 -2.4104800 0.1229988 -0.2101499 0.1820750 -2.1430032 17 Nd 4.0360056 0.0000000 -0.1593425 0.0000000 4.1205417 0.0000000 0.1451378 0.0000000 4.1139025 18 Nd 4.0360056 0.0000000 -0.1593425 0.0000000 4.1205417 0.0000000 0.1451378 0.0000000 4.1139025 19 Nd 4.0360056 0.0000000 0.1593425 0.0000000 4.1205417 0.0000000 -0.1451378 0.0000000 4.1139025 20 Nd 4.0360056 0.0000000 0.1593425 0.0000000 4.1205417 0.0000000 -0.1451378 0.0000000 4.1139025 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000017 (yzy) -0.00000017 (yzy) -0.00000017 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 10 6 ] 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: 0.68, Number of G-points: 319, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.084 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.729 ( 0.000 0.000 0.000) 0.000 5.758 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 6.702 ( 0.000 0.000 0.000) 0.000 6.886 ( 0.000 0.000 0.000) 0.000 7.099 ( 0.000 0.000 0.000) 0.000 7.316 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 8.173 ( 0.000 0.000 0.000) 0.000 8.310 ( 0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 8.963 ( 0.000 0.000 0.000) 0.000 9.815 ( 0.000 0.000 0.000) 0.000 10.240 ( 0.000 0.000 0.000) 0.000 10.260 ( 0.000 0.000 0.000) 0.000 10.680 ( 0.000 0.000 0.000) 0.000 10.868 ( 0.000 0.000 0.000) 0.000 16.551 ( 0.000 0.000 0.000) 0.000 16.951 ( 0.000 0.000 0.000) 0.000 17.035 ( 0.000 0.000 0.000) 0.000 17.213 ( 0.000 0.000 0.000) 0.000 17.512 ( 0.000 0.000 0.000) 0.000 17.649 ( 0.000 0.000 0.000) 0.000 18.363 ( 0.000 0.000 0.000) 0.000 18.400 ( 0.000 0.000 0.000) 0.000 19.787 ( 0.000 0.000 0.000) 0.000 19.819 ( 0.000 0.000 0.000) 0.000 21.924 ( 0.000 0.000 0.000) 0.000 22.048 ( 0.000 0.000 0.000) 0.000 27.825 ( 0.000 0.000 0.000) 0.000 28.025 ( 0.000 0.000 0.000) 0.000 28.146 ( 0.000 0.000 0.000) 0.000 28.189 ( 0.000 0.000 0.000) 0.000 37.227 ( 0.000 0.000 0.000) 0.000 37.665 ( 0.000 0.000 0.000) 0.000 38.172 ( 0.000 0.000 0.000) 0.000 38.343 ( 0.000 0.000 0.000) 0.000 38.563 ( 0.000 0.000 0.000) 0.000 38.736 ( 0.000 0.000 0.000) 0.000 38.882 ( 0.000 0.000 0.000) 0.000 41.431 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 25.456 0.000 0.000) 25.456 0.679 ( 34.094 0.000 0.000) 34.094 0.976 ( 49.479 0.000 0.000) 49.479 3.005 ( -5.710 0.000 0.000) 5.710 3.026 ( -3.453 0.000 0.000) 3.453 3.176 ( -4.647 0.000 0.000) 4.647 3.187 ( -13.403 0.000 0.000) 13.403 3.252 ( 6.316 0.000 0.000) 6.316 3.502 ( -4.021 0.000 0.000) 4.021 3.866 ( 16.483 0.000 0.000) 16.483 4.180 ( -10.363 0.000 0.000) 10.363 4.316 ( -9.298 0.000 0.000) 9.298 5.101 ( 9.431 0.000 0.000) 9.431 5.477 ( 2.097 0.000 0.000) 2.097 5.603 ( -1.494 0.000 0.000) 1.494 5.615 ( 0.253 0.000 0.000) 0.253 5.642 ( -8.840 0.000 0.000) 8.840 5.781 ( 2.072 0.000 0.000) 2.072 5.827 ( 9.954 0.000 0.000) 9.954 6.204 ( 3.233 0.000 0.000) 3.233 6.707 ( 3.919 0.000 0.000) 3.919 6.927 ( 4.698 0.000 0.000) 4.698 7.145 ( 4.709 0.000 0.000) 4.709 7.350 ( 3.349 0.000 0.000) 3.349 7.565 ( 1.033 0.000 0.000) 1.033 7.867 ( -6.185 0.000 0.000) 6.185 8.271 ( -3.921 0.000 0.000) 3.921 8.287 ( 8.545 0.000 0.000) 8.545 8.741 ( -6.163 0.000 0.000) 6.163 8.939 ( -2.150 0.000 0.000) 2.150 9.738 ( -7.767 0.000 0.000) 7.767 10.136 ( -7.222 0.000 0.000) 7.222 10.228 ( 1.526 0.000 0.000) 1.526 10.254 ( -0.489 0.000 0.000) 0.489 10.732 ( -0.152 0.000 0.000) 0.152 10.858 ( -1.043 0.000 0.000) 1.043 16.566 ( 1.491 0.000 0.000) 1.491 16.967 ( 1.666 0.000 0.000) 1.666 17.020 ( -1.505 0.000 0.000) 1.505 17.231 ( 1.842 0.000 0.000) 1.842 17.494 ( -1.800 0.000 0.000) 1.800 17.651 ( 0.049 0.000 0.000) 0.049 18.355 ( -0.756 0.000 0.000) 0.756 18.400 ( -0.321 0.000 0.000) 0.321 19.914 ( 9.455 0.000 0.000) 9.455 21.474 ( 1.417 0.000 0.000) 1.417 21.888 ( -3.768 0.000 0.000) 3.768 22.024 ( -2.450 0.000 0.000) 2.450 27.837 ( 1.174 0.000 0.000) 1.174 28.116 ( -0.795 0.000 0.000) 0.795 28.141 ( -0.461 0.000 0.000) 0.461 28.182 ( -0.759 0.000 0.000) 0.759 37.249 ( 2.291 0.000 0.000) 2.291 37.687 ( 2.159 0.000 0.000) 2.159 38.133 ( -3.904 0.000 0.000) 3.904 38.328 ( -1.570 0.000 0.000) 1.570 38.632 ( 7.022 0.000 0.000) 7.022 38.738 ( 0.210 0.000 0.000) 0.210 38.874 ( -0.785 0.000 0.000) 0.785 41.319 ( -11.147 0.000 0.000) 11.147 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 25.094 0.000 0.000) 25.094 1.324 ( 31.487 0.000 0.000) 31.487 1.930 ( 47.696 0.000 0.000) 47.696 2.852 ( -9.700 0.000 0.000) 9.700 2.951 ( -10.105 0.000 0.000) 10.105 2.972 ( -2.062 0.000 0.000) 2.062 3.043 ( -8.734 0.000 0.000) 8.734 3.382 ( -8.108 0.000 0.000) 8.108 3.384 ( 6.985 0.000 0.000) 6.985 3.909 ( -16.597 0.000 0.000) 16.597 4.126 ( -9.473 0.000 0.000) 9.473 4.205 ( 17.823 0.000 0.000) 17.823 5.294 ( 9.519 0.000 0.000) 9.519 5.381 ( -17.460 0.000 0.000) 17.460 5.539 ( 3.793 0.000 0.000) 3.793 5.545 ( -4.696 0.000 0.000) 4.696 5.655 ( 2.983 0.000 0.000) 2.983 5.823 ( 1.802 0.000 0.000) 1.802 6.023 ( 9.391 0.000 0.000) 9.391 6.283 ( 4.278 0.000 0.000) 4.278 6.827 ( 8.426 0.000 0.000) 8.426 7.088 ( 11.559 0.000 0.000) 11.559 7.286 ( 9.963 0.000 0.000) 9.963 7.435 ( 4.629 0.000 0.000) 4.629 7.607 ( 3.790 0.000 0.000) 3.790 7.752 ( -5.293 0.000 0.000) 5.293 8.163 ( -6.767 0.000 0.000) 6.767 8.425 ( 3.650 0.000 0.000) 3.650 8.565 ( -11.531 0.000 0.000) 11.531 8.914 ( 1.137 0.000 0.000) 1.137 9.514 ( -14.939 0.000 0.000) 14.939 9.941 ( -11.710 0.000 0.000) 11.710 10.248 ( 0.136 0.000 0.000) 0.136 10.285 ( 3.752 0.000 0.000) 3.752 10.712 ( -2.087 0.000 0.000) 2.087 10.826 ( -2.257 0.000 0.000) 2.257 16.608 ( 2.775 0.000 0.000) 2.775 16.977 ( -2.805 0.000 0.000) 2.805 17.014 ( 3.127 0.000 0.000) 3.127 17.283 ( 3.435 0.000 0.000) 3.435 17.443 ( -3.342 0.000 0.000) 3.342 17.645 ( -0.812 0.000 0.000) 0.812 18.338 ( -0.722 0.000 0.000) 0.722 18.391 ( -0.551 0.000 0.000) 0.551 20.173 ( 16.432 0.000 0.000) 16.432 21.514 ( 2.724 0.000 0.000) 2.724 21.774 ( -7.905 0.000 0.000) 7.905 21.956 ( -4.329 0.000 0.000) 4.329 27.870 ( 2.225 0.000 0.000) 2.225 28.098 ( -0.932 0.000 0.000) 0.932 28.128 ( -0.815 0.000 0.000) 0.815 28.158 ( -1.735 0.000 0.000) 1.735 37.316 ( 4.458 0.000 0.000) 4.458 37.748 ( 4.070 0.000 0.000) 4.070 38.028 ( -6.605 0.000 0.000) 6.605 38.279 ( -3.492 0.000 0.000) 3.492 38.744 ( 0.445 0.000 0.000) 0.445 38.833 ( 12.474 0.000 0.000) 12.474 38.855 ( -0.179 0.000 0.000) 0.179 41.011 ( -19.825 0.000 0.000) 19.825 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 24.058 0.000 0.000) 24.058 1.897 ( 26.602 0.000 0.000) 26.602 2.628 ( -13.328 0.000 0.000) 13.328 2.818 ( -2.679 0.000 0.000) 2.679 2.833 ( 43.922 0.000 0.000) 43.922 2.844 ( -10.842 0.000 0.000) 10.842 2.947 ( -0.326 0.000 0.000) 0.326 3.204 ( -9.276 0.000 0.000) 9.276 3.523 ( 7.099 0.000 0.000) 7.099 3.555 ( -18.982 0.000 0.000) 18.982 3.954 ( -8.080 0.000 0.000) 8.080 4.555 ( 17.622 0.000 0.000) 17.622 4.957 ( -25.544 0.000 0.000) 25.544 5.411 ( -9.030 0.000 0.000) 9.030 5.461 ( 7.542 0.000 0.000) 7.542 5.627 ( 4.891 0.000 0.000) 4.891 5.697 ( 0.660 0.000 0.000) 0.660 5.838 ( -0.481 0.000 0.000) 0.481 6.187 ( 7.326 0.000 0.000) 7.326 6.351 ( 2.293 0.000 0.000) 2.293 7.035 ( 12.467 0.000 0.000) 12.467 7.341 ( 13.346 0.000 0.000) 13.346 7.505 ( 2.523 0.000 0.000) 2.523 7.531 ( 12.648 0.000 0.000) 12.648 7.661 ( -3.996 0.000 0.000) 3.996 7.736 ( 9.253 0.000 0.000) 9.253 8.047 ( -2.148 0.000 0.000) 2.148 8.299 ( -15.317 0.000 0.000) 15.317 8.382 ( -7.371 0.000 0.000) 7.371 9.023 ( 9.321 0.000 0.000) 9.321 9.161 ( -20.836 0.000 0.000) 20.836 9.701 ( -12.417 0.000 0.000) 12.417 10.267 ( 1.935 0.000 0.000) 1.935 10.359 ( 3.257 0.000 0.000) 3.257 10.659 ( -2.782 0.000 0.000) 2.782 10.770 ( -3.444 0.000 0.000) 3.444 16.672 ( 3.704 0.000 0.000) 3.704 16.912 ( -3.738 0.000 0.000) 3.738 17.087 ( 4.225 0.000 0.000) 4.225 17.362 ( 4.527 0.000 0.000) 4.527 17.366 ( -4.424 0.000 0.000) 4.424 17.613 ( -2.563 0.000 0.000) 2.563 18.332 ( 0.090 0.000 0.000) 0.090 18.378 ( -0.797 0.000 0.000) 0.797 20.533 ( 19.784 0.000 0.000) 19.784 21.574 ( -12.553 0.000 0.000) 12.553 21.579 ( 3.831 0.000 0.000) 3.831 21.861 ( -5.144 0.000 0.000) 5.144 27.922 ( 3.011 0.000 0.000) 3.011 28.083 ( -0.631 0.000 0.000) 0.631 28.111 ( -0.938 0.000 0.000) 0.938 28.115 ( -2.517 0.000 0.000) 2.517 37.422 ( 6.341 0.000 0.000) 6.341 37.843 ( 5.496 0.000 0.000) 5.496 37.882 ( -8.053 0.000 0.000) 8.053 38.193 ( -5.163 0.000 0.000) 5.163 38.755 ( 0.728 0.000 0.000) 0.728 38.825 ( -1.490 0.000 0.000) 1.490 39.159 ( 19.322 0.000 0.000) 19.322 40.568 ( -24.679 0.000 0.000) 24.679 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 21.840 0.000 0.000) 21.840 2.322 ( -17.972 0.000 0.000) 17.972 2.338 ( 17.796 0.000 0.000) 17.796 2.616 ( -12.107 0.000 0.000) 12.107 2.881 ( 9.853 0.000 0.000) 9.853 2.965 ( 2.348 0.000 0.000) 2.348 3.048 ( -6.224 0.000 0.000) 6.224 3.176 ( -18.218 0.000 0.000) 18.218 3.662 ( 39.233 0.000 0.000) 39.233 3.662 ( 7.170 0.000 0.000) 7.170 3.804 ( -7.380 0.000 0.000) 7.380 4.373 ( -33.042 0.000 0.000) 33.042 4.899 ( 16.278 0.000 0.000) 16.278 5.192 ( -13.308 0.000 0.000) 13.308 5.589 ( 5.489 0.000 0.000) 5.489 5.673 ( -2.944 0.000 0.000) 2.944 5.723 ( 4.722 0.000 0.000) 4.722 5.802 ( -3.108 0.000 0.000) 3.108 6.306 ( 4.690 0.000 0.000) 4.690 6.364 ( -1.110 0.000 0.000) 1.110 7.295 ( 13.427 0.000 0.000) 13.427 7.509 ( -4.566 0.000 0.000) 4.566 7.547 ( 2.091 0.000 0.000) 2.091 7.595 ( -2.852 0.000 0.000) 2.852 7.680 ( 11.605 0.000 0.000) 11.605 7.949 ( 11.987 0.000 0.000) 11.987 7.982 ( -16.653 0.000 0.000) 16.653 8.186 ( -11.723 0.000 0.000) 11.723 8.249 ( 21.121 0.000 0.000) 21.121 8.714 ( -24.311 0.000 0.000) 24.311 9.234 ( 11.473 0.000 0.000) 11.473 9.463 ( -11.914 0.000 0.000) 11.914 10.323 ( 3.509 0.000 0.000) 3.509 10.381 ( -1.480 0.000 0.000) 1.480 10.637 ( 1.311 0.000 0.000) 1.311 10.696 ( -3.864 0.000 0.000) 3.864 16.750 ( 4.196 0.000 0.000) 4.196 16.834 ( -4.211 0.000 0.000) 4.211 17.177 ( 4.853 0.000 0.000) 4.853 17.274 ( -4.934 0.000 0.000) 4.934 17.456 ( 4.852 0.000 0.000) 4.852 17.546 ( -4.176 0.000 0.000) 4.176 18.341 ( 0.831 0.000 0.000) 0.831 18.360 ( -0.998 0.000 0.000) 0.998 20.924 ( 19.639 0.000 0.000) 19.639 21.285 ( -16.854 0.000 0.000) 16.854 21.663 ( 4.667 0.000 0.000) 4.667 21.759 ( -5.153 0.000 0.000) 5.153 27.986 ( 3.380 0.000 0.000) 3.380 28.050 ( -3.065 0.000 0.000) 3.065 28.086 ( -0.014 0.000 0.000) 0.014 28.094 ( -0.718 0.000 0.000) 0.718 37.561 ( 7.728 0.000 0.000) 7.728 37.720 ( -8.373 0.000 0.000) 8.373 37.959 ( 6.230 0.000 0.000) 6.230 38.081 ( -6.128 0.000 0.000) 6.128 38.773 ( 1.055 0.000 0.000) 1.055 38.797 ( -1.356 0.000 0.000) 1.356 39.583 ( 23.597 0.000 0.000) 23.597 40.069 ( -25.685 0.000 0.000) 25.685 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 0.000 26.643 0.000) 26.643 0.711 ( 0.000 35.943 0.000) 35.943 1.329 ( 0.000 63.070 0.000) 63.070 3.050 ( 0.000 -0.989 0.000) 0.989 3.211 ( 0.000 0.321 0.000) 0.321 3.282 ( 0.000 17.568 0.000) 17.568 3.314 ( 0.000 -5.204 0.000) 5.204 3.616 ( 0.000 5.292 0.000) 5.292 3.663 ( 0.000 2.691 0.000) 2.691 3.742 ( 0.000 22.735 0.000) 22.735 4.249 ( 0.000 -3.223 0.000) 3.223 4.513 ( 0.000 7.636 0.000) 7.636 5.097 ( 0.000 -5.675 0.000) 5.675 5.338 ( 0.000 26.786 0.000) 26.786 5.485 ( 0.000 6.329 0.000) 6.329 5.643 ( 0.000 -8.029 0.000) 8.029 5.730 ( 0.000 5.622 0.000) 5.622 5.765 ( 0.000 0.883 0.000) 0.883 6.023 ( 0.000 3.877 0.000) 3.877 6.259 ( 0.000 10.486 0.000) 10.486 6.638 ( 0.000 -5.562 0.000) 5.562 6.910 ( 0.000 22.695 0.000) 22.695 7.281 ( 0.000 16.494 0.000) 16.494 7.349 ( 0.000 3.299 0.000) 3.299 7.539 ( 0.000 -2.769 0.000) 2.769 7.867 ( 0.000 -7.932 0.000) 7.932 8.181 ( 0.000 0.792 0.000) 0.792 8.366 ( 0.000 5.442 0.000) 5.442 8.840 ( 0.000 2.594 0.000) 2.594 8.972 ( 0.000 1.072 0.000) 1.072 9.774 ( 0.000 -3.919 0.000) 3.919 10.178 ( 0.000 -6.147 0.000) 6.147 10.192 ( 0.000 -5.727 0.000) 5.727 10.650 ( 0.000 -2.806 0.000) 2.806 10.845 ( 0.000 -2.223 0.000) 2.223 11.111 ( 0.000 0.509 0.000) 0.509 16.672 ( 0.000 11.431 0.000) 11.431 17.006 ( 0.000 5.354 0.000) 5.354 17.099 ( 0.000 -4.039 0.000) 4.039 17.345 ( 0.000 7.411 0.000) 7.411 17.530 ( 0.000 1.663 0.000) 1.663 17.633 ( 0.000 -1.568 0.000) 1.568 18.309 ( 0.000 -8.760 0.000) 8.760 18.314 ( 0.000 -4.806 0.000) 4.806 19.788 ( 0.000 0.049 0.000) 0.049 19.818 ( 0.000 -0.089 0.000) 0.089 21.923 ( 0.000 -0.094 0.000) 0.094 22.041 ( 0.000 -0.659 0.000) 0.659 27.782 ( 0.000 -4.176 0.000) 4.176 27.998 ( 0.000 -2.649 0.000) 2.649 28.097 ( 0.000 -4.765 0.000) 4.765 28.154 ( 0.000 -3.362 0.000) 3.362 37.281 ( 0.000 5.259 0.000) 5.259 37.709 ( 0.000 4.149 0.000) 4.149 38.326 ( 0.000 -1.622 0.000) 1.622 38.536 ( 0.000 -2.589 0.000) 2.589 38.738 ( 0.000 0.473 0.000) 0.473 39.010 ( 0.000 12.315 0.000) 12.315 41.155 ( 0.000 -1.439 0.000) 1.439 41.300 ( 0.000 -12.803 0.000) 12.803 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 25.807 18.189 0.000) 31.573 0.972 ( 22.679 25.255 0.000) 33.943 1.538 ( 22.216 50.872 0.000) 55.512 2.991 ( -5.321 -0.542 0.000) 5.348 3.103 ( -7.247 3.473 0.000) 8.036 3.222 ( -8.394 2.162 0.000) 8.668 3.299 ( -0.150 16.295 0.000) 16.295 3.505 ( -4.810 0.614 0.000) 4.849 3.591 ( -7.013 22.603 0.000) 23.666 3.871 ( 13.238 0.890 0.000) 13.268 4.173 ( -6.727 0.628 0.000) 6.757 4.430 ( -7.101 9.858 0.000) 12.150 5.340 ( 12.032 -10.645 0.000) 16.065 5.413 ( 5.631 17.452 0.000) 18.338 5.528 ( 3.406 11.113 0.000) 11.623 5.567 ( -6.154 -3.259 0.000) 6.964 5.730 ( 2.263 2.804 0.000) 3.603 5.823 ( 3.423 6.388 0.000) 7.247 6.073 ( 4.492 10.424 0.000) 11.350 6.285 ( 2.547 9.218 0.000) 9.564 6.676 ( 5.265 -10.923 0.000) 12.126 6.936 ( 2.753 21.830 0.000) 22.003 7.257 ( 2.437 11.079 0.000) 11.344 7.450 ( 2.113 3.549 0.000) 4.130 7.607 ( 7.486 2.112 0.000) 7.778 7.799 ( -5.282 -6.415 0.000) 8.310 8.276 ( 7.644 -0.531 0.000) 7.662 8.326 ( -3.993 5.405 0.000) 6.720 8.784 ( -5.502 3.047 0.000) 6.289 8.946 ( -2.369 1.008 0.000) 2.575 9.698 ( -7.702 -3.923 0.000) 8.643 10.092 ( -7.763 -4.930 0.000) 9.196 10.186 ( -0.477 -5.765 0.000) 5.785 10.606 ( -9.681 9.635 0.000) 13.659 10.737 ( -13.508 7.152 0.000) 15.285 10.831 ( -1.478 -2.629 0.000) 3.016 16.682 ( 1.102 11.046 0.000) 11.101 17.022 ( 1.662 5.362 0.000) 5.614 17.077 ( -1.988 0.569 0.000) 2.068 17.262 ( -2.122 5.914 0.000) 6.283 17.516 ( -1.573 2.034 0.000) 2.571 17.634 ( 0.017 -1.592 0.000) 1.593 18.306 ( -0.725 -4.770 0.000) 4.825 18.312 ( 0.085 -8.500 0.000) 8.500 19.911 ( 9.414 -0.207 0.000) 9.416 20.562 ( 43.497 -40.530 0.000) 59.453 21.886 ( -3.786 -0.112 0.000) 3.787 22.016 ( -2.580 -0.770 0.000) 2.693 27.793 ( 1.144 -4.200 0.000) 4.353 28.026 ( 1.812 -5.138 0.000) 5.448 28.093 ( -0.388 -4.694 0.000) 4.710 28.134 ( -1.771 -3.526 0.000) 3.946 37.307 ( 2.690 5.629 0.000) 6.239 37.733 ( 2.459 4.446 0.000) 5.081 38.310 ( -1.656 -0.577 0.000) 1.753 38.603 ( 6.775 -2.807 0.000) 7.333 38.738 ( -0.005 0.245 0.000) 0.245 38.986 ( -2.417 11.070 0.000) 11.331 39.814 ( -77.207 72.712 0.000) 106.056 41.193 ( -10.667 -12.333 0.000) 16.306 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 20.907 22.377 0.000) 30.624 1.474 ( 26.784 14.635 0.000) 30.522 2.153 ( 37.246 24.569 0.000) 44.619 2.876 ( -5.652 2.479 0.000) 6.171 2.969 ( -6.883 1.297 0.000) 7.004 3.028 ( -10.817 6.512 0.000) 12.626 3.265 ( -3.021 19.192 0.000) 19.429 3.401 ( -6.325 1.371 0.000) 6.472 3.507 ( -3.256 8.839 0.000) 9.420 4.019 ( -7.886 12.318 0.000) 14.626 4.114 ( 7.609 -0.925 0.000) 7.665 4.317 ( -0.005 10.401 0.000) 10.401 5.324 ( -15.850 -5.505 0.000) 16.779 5.437 ( -1.018 -7.651 0.000) 7.719 5.510 ( 4.657 4.525 0.000) 6.494 5.686 ( 8.540 29.231 0.000) 30.453 5.803 ( 3.685 1.207 0.000) 3.878 5.892 ( 3.990 14.349 0.000) 14.893 6.182 ( 6.236 13.719 0.000) 15.070 6.355 ( 4.315 6.846 0.000) 8.093 6.858 ( 12.864 -14.159 0.000) 19.130 7.022 ( 6.087 19.099 0.000) 20.045 7.385 ( 10.612 9.586 0.000) 14.300 7.458 ( 0.034 -0.869 0.000) 0.870 7.698 ( -4.695 -5.040 0.000) 6.888 7.761 ( 7.658 10.164 0.000) 12.726 8.215 ( -7.031 5.415 0.000) 8.875 8.385 ( 0.240 -2.146 0.000) 2.159 8.648 ( -7.149 5.863 0.000) 9.245 8.909 ( 0.170 -0.217 0.000) 0.275 9.478 ( -14.592 -3.595 0.000) 15.028 9.910 ( -10.577 -3.270 0.000) 11.071 10.180 ( 0.120 -5.954 0.000) 5.955 10.398 ( -5.867 9.850 0.000) 11.465 10.654 ( -2.634 -5.393 0.000) 6.002 10.788 ( -2.919 -3.656 0.000) 4.679 16.714 ( 2.136 10.047 0.000) 10.272 17.030 ( -2.783 3.938 0.000) 4.822 17.069 ( 3.052 5.303 0.000) 6.118 17.275 ( 2.551 0.321 0.000) 2.572 17.470 ( -3.051 2.566 0.000) 3.986 17.627 ( -0.880 -1.676 0.000) 1.893 18.291 ( -0.711 -4.711 0.000) 4.765 18.312 ( -0.036 -7.665 0.000) 7.665 20.170 ( 16.411 -0.264 0.000) 16.414 21.133 ( 18.364 -28.849 0.000) 34.197 21.773 ( -7.919 -0.146 0.000) 7.920 21.943 ( -4.720 -1.223 0.000) 4.876 27.826 ( 2.145 -4.291 0.000) 4.797 28.047 ( 0.347 -5.086 0.000) 5.098 28.082 ( -0.682 -4.493 0.000) 4.544 28.095 ( -2.144 -4.430 0.000) 4.921 37.386 ( 5.306 6.777 0.000) 8.607 37.804 ( 4.638 5.306 0.000) 7.048 38.254 ( -4.337 3.330 0.000) 5.468 38.739 ( 0.122 -0.339 0.000) 0.360 38.783 ( -24.702 42.720 0.000) 49.347 38.801 ( 7.998 1.983 0.000) 8.241 38.941 ( -5.588 12.366 0.000) 13.570 40.898 ( -19.011 -11.067 0.000) 21.997 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 20.257 20.581 0.000) 28.878 1.978 ( 23.948 8.559 0.000) 25.431 2.763 ( -9.552 10.989 0.000) 14.560 2.814 ( -6.426 0.082 0.000) 6.427 2.838 ( -4.490 2.247 0.000) 5.021 2.886 ( 31.355 6.905 0.000) 32.106 3.205 ( -1.781 20.712 0.000) 20.789 3.267 ( -6.648 5.330 0.000) 8.520 3.409 ( -6.308 0.052 0.000) 6.308 3.921 ( -0.941 24.265 0.000) 24.283 4.072 ( -6.185 10.993 0.000) 12.614 4.528 ( 15.612 -2.440 0.000) 15.801 4.943 ( -22.957 -1.218 0.000) 22.989 5.338 ( -8.448 -6.963 0.000) 10.948 5.608 ( 5.322 1.963 0.000) 5.673 5.833 ( 6.215 31.674 0.000) 32.278 5.838 ( -0.168 1.024 0.000) 1.038 5.968 ( 2.806 22.416 0.000) 22.591 6.304 ( 6.171 11.307 0.000) 12.881 6.435 ( 3.319 6.809 0.000) 7.575 7.152 ( 16.486 -11.983 0.000) 20.381 7.177 ( 9.650 14.267 0.000) 17.225 7.467 ( 0.901 -3.628 0.000) 3.738 7.620 ( -3.134 -3.566 0.000) 4.747 7.653 ( 14.434 10.683 0.000) 17.957 7.905 ( 6.768 9.230 0.000) 11.446 8.087 ( -3.258 5.931 0.000) 6.766 8.227 ( -14.197 -3.431 0.000) 14.605 8.508 ( -8.503 8.729 0.000) 12.186 9.003 ( 7.742 -2.125 0.000) 8.029 9.139 ( -18.697 -2.060 0.000) 18.811 9.687 ( -11.887 -1.582 0.000) 11.992 10.200 ( 1.996 -6.115 0.000) 6.432 10.353 ( -0.306 0.078 0.000) 0.316 10.594 ( -2.934 -6.077 0.000) 6.748 10.718 ( -4.053 -4.849 0.000) 6.320 16.765 ( 2.980 8.749 0.000) 9.243 16.969 ( -3.375 5.137 0.000) 6.147 17.139 ( 4.030 5.044 0.000) 6.456 17.344 ( 4.220 -1.372 0.000) 4.437 17.400 ( -4.007 3.250 0.000) 5.159 17.594 ( -2.637 -1.798 0.000) 3.192 18.283 ( -0.009 -4.769 0.000) 4.769 18.309 ( -0.272 -6.683 0.000) 6.689 20.530 ( 19.802 -0.263 0.000) 19.804 21.396 ( 10.240 -15.870 0.000) 18.887 21.573 ( -12.557 -0.161 0.000) 12.558 21.837 ( -6.010 -2.342 0.000) 6.450 27.875 ( 2.854 -4.490 0.000) 5.320 28.046 ( -0.719 -5.280 0.000) 5.328 28.050 ( -1.962 -3.945 0.000) 4.406 28.068 ( -0.772 -4.198 0.000) 4.269 37.514 ( 7.756 8.824 0.000) 11.748 37.911 ( 6.262 6.628 0.000) 9.118 38.120 ( -9.815 12.945 0.000) 16.245 38.377 ( -13.118 23.565 0.000) 26.971 38.745 ( 0.524 -0.955 0.000) 1.090 38.860 ( -3.571 3.992 0.000) 5.356 39.114 ( 18.663 -4.488 0.000) 19.195 40.473 ( -23.732 -9.352 0.000) 25.508 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 19.152 16.789 0.000) 25.469 2.381 ( 16.487 5.225 0.000) 17.295 2.493 ( -16.271 13.436 0.000) 21.102 2.633 ( -10.386 2.634 0.000) 10.715 2.879 ( 7.315 0.127 0.000) 7.316 3.068 ( -7.920 -2.965 0.000) 8.457 3.169 ( -2.887 10.934 0.000) 11.309 3.170 ( -4.094 13.759 0.000) 14.355 3.653 ( 25.229 6.514 0.000) 26.056 3.939 ( -7.838 12.251 0.000) 14.544 4.004 ( 11.440 23.579 0.000) 26.208 4.439 ( -27.439 6.992 0.000) 28.316 4.841 ( 15.578 -5.716 0.000) 16.593 5.124 ( -13.030 -6.709 0.000) 14.656 5.713 ( 5.210 1.411 0.000) 5.398 5.801 ( -3.441 1.252 0.000) 3.662 5.931 ( 3.870 30.279 0.000) 30.525 5.983 ( -1.196 27.478 0.000) 27.504 6.413 ( 4.494 9.614 0.000) 10.612 6.465 ( -0.565 8.529 0.000) 8.548 7.375 ( 9.080 6.339 0.000) 11.074 7.436 ( 5.411 -5.694 0.000) 7.855 7.531 ( 10.604 -5.102 0.000) 11.767 7.584 ( 0.092 0.736 0.000) 0.742 7.718 ( -5.044 9.803 0.000) 11.024 7.904 ( -17.596 -4.452 0.000) 18.150 8.093 ( 11.695 8.842 0.000) 14.661 8.255 ( 19.488 2.192 0.000) 19.611 8.313 ( -10.930 9.622 0.000) 14.561 8.697 ( -23.311 -1.464 0.000) 23.357 9.224 ( 11.499 -0.944 0.000) 11.537 9.453 ( -11.837 -0.952 0.000) 11.875 10.259 ( 3.832 -5.870 0.000) 7.010 10.331 ( -2.745 -4.427 0.000) 5.209 10.573 ( 1.410 -6.024 0.000) 6.187 10.635 ( -4.181 -5.702 0.000) 7.071 16.829 ( 3.510 7.414 0.000) 8.203 16.900 ( -3.649 6.196 0.000) 7.191 17.224 ( 4.545 4.546 0.000) 6.428 17.314 ( -4.554 3.850 0.000) 5.964 17.435 ( 4.785 -1.735 0.000) 5.090 17.525 ( -4.207 -1.863 0.000) 4.601 18.289 ( 0.557 -5.107 0.000) 5.137 18.301 ( -0.563 -5.775 0.000) 5.803 20.922 ( 19.669 -0.216 0.000) 19.670 21.283 ( -16.871 -0.175 0.000) 16.871 21.569 ( 7.799 -8.610 0.000) 11.617 21.711 ( -6.816 -4.568 0.000) 8.205 27.935 ( 3.146 -4.819 0.000) 5.755 27.995 ( -2.981 -5.213 0.000) 6.005 28.047 ( 0.150 -3.672 0.000) 3.675 28.054 ( -0.578 -3.883 0.000) 3.925 37.688 ( 9.932 11.915 0.000) 15.512 37.900 ( -11.546 15.504 0.000) 19.331 38.044 ( 7.144 8.283 0.000) 10.938 38.189 ( -7.793 11.100 0.000) 13.563 38.762 ( 1.327 -0.986 0.000) 1.653 38.799 ( -2.501 0.469 0.000) 2.545 39.522 ( 22.801 -5.886 0.000) 23.549 39.992 ( -24.768 -7.543 0.000) 25.891 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.000 26.608 0.000) 26.608 1.420 ( 0.000 34.873 0.000) 34.873 2.438 ( 0.000 46.151 0.000) 46.151 3.037 ( 0.000 -0.108 0.000) 0.108 3.238 ( 0.000 -2.022 0.000) 2.022 3.254 ( 0.000 4.975 0.000) 4.975 3.661 ( 0.000 17.780 0.000) 17.780 3.711 ( 0.000 1.535 0.000) 1.535 3.721 ( 0.000 5.167 0.000) 5.167 4.089 ( 0.000 -2.119 0.000) 2.119 4.395 ( 0.000 30.263 0.000) 30.263 4.680 ( 0.000 7.491 0.000) 7.491 4.964 ( 0.000 -6.995 0.000) 6.995 5.444 ( 0.000 -10.626 0.000) 10.626 5.495 ( 0.000 3.411 0.000) 3.411 5.801 ( 0.000 2.946 0.000) 2.946 5.867 ( 0.000 7.150 0.000) 7.150 5.909 ( 0.000 15.035 0.000) 15.035 6.133 ( 0.000 7.229 0.000) 7.229 6.513 ( 0.000 -6.201 0.000) 6.201 6.762 ( 0.000 42.291 0.000) 42.291 7.395 ( 0.000 11.644 0.000) 11.644 7.441 ( 0.000 -6.029 0.000) 6.029 7.451 ( 0.000 7.098 0.000) 7.098 7.686 ( 0.000 20.556 0.000) 20.556 7.749 ( 0.000 7.881 0.000) 7.881 8.206 ( 0.000 1.798 0.000) 1.798 8.525 ( 0.000 10.743 0.000) 10.743 8.857 ( 0.000 -1.153 0.000) 1.153 9.004 ( 0.000 1.846 0.000) 1.846 9.670 ( 0.000 -6.091 0.000) 6.091 10.005 ( 0.000 -10.922 0.000) 10.922 10.100 ( 0.000 -1.817 0.000) 1.817 10.589 ( 0.000 -2.481 0.000) 2.481 10.783 ( 0.000 -3.888 0.000) 3.888 11.120 ( 0.000 0.222 0.000) 0.222 16.962 ( 0.000 16.398 0.000) 16.398 17.048 ( 0.000 -1.035 0.000) 1.035 17.148 ( 0.000 8.320 0.000) 8.320 17.490 ( 0.000 6.888 0.000) 6.888 17.569 ( 0.000 1.937 0.000) 1.937 17.596 ( 0.000 -1.687 0.000) 1.687 18.079 ( 0.000 -13.393 0.000) 13.393 18.180 ( 0.000 -8.389 0.000) 8.389 19.789 ( 0.000 0.100 0.000) 0.100 19.815 ( 0.000 -0.175 0.000) 0.175 21.921 ( 0.000 -0.077 0.000) 0.077 22.023 ( 0.000 -1.177 0.000) 1.177 27.673 ( 0.000 -6.286 0.000) 6.286 27.927 ( 0.000 -4.222 0.000) 4.222 27.965 ( 0.000 -8.156 0.000) 8.156 28.062 ( 0.000 -5.657 0.000) 5.657 37.422 ( 0.000 8.467 0.000) 8.467 37.811 ( 0.000 5.433 0.000) 5.433 38.285 ( 0.000 -2.333 0.000) 2.333 38.465 ( 0.000 -4.345 0.000) 4.345 38.770 ( 0.000 3.248 0.000) 3.248 39.342 ( 0.000 20.173 0.000) 20.173 40.946 ( 0.000 -21.918 0.000) 21.918 41.107 ( 0.000 -3.535 0.000) 3.535 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 19.483 20.673 0.000) 28.407 1.550 ( 12.485 30.908 0.000) 33.334 2.519 ( 8.292 41.801 0.000) 42.615 3.004 ( -2.698 1.876 0.000) 3.286 3.186 ( -5.870 6.970 0.000) 9.112 3.243 ( -0.851 0.155 0.000) 0.865 3.536 ( -8.245 2.296 0.000) 8.559 3.657 ( -1.435 15.446 0.000) 15.513 3.897 ( 9.178 1.261 0.000) 9.265 3.935 ( -11.614 7.420 0.000) 13.782 4.370 ( 0.462 23.227 0.000) 23.232 4.643 ( -3.373 9.717 0.000) 10.285 5.158 ( 11.651 -7.222 0.000) 13.708 5.370 ( -6.933 -9.825 0.000) 12.025 5.512 ( 1.774 3.456 0.000) 3.885 5.791 ( 1.019 3.842 0.000) 3.975 5.994 ( 9.690 8.777 0.000) 13.075 6.016 ( 9.780 13.675 0.000) 16.812 6.183 ( 5.883 2.959 0.000) 6.585 6.568 ( 5.569 -1.279 0.000) 5.714 6.759 ( -0.318 41.998 0.000) 41.999 7.355 ( -2.147 -1.297 0.000) 2.509 7.389 ( -0.554 8.160 0.000) 8.179 7.547 ( 2.938 2.186 0.000) 3.663 7.727 ( -1.663 11.926 0.000) 12.042 7.773 ( 8.827 17.353 0.000) 19.469 8.279 ( 6.346 0.951 0.000) 6.417 8.486 ( -3.895 11.024 0.000) 11.692 8.810 ( -4.466 -0.756 0.000) 4.529 8.986 ( -1.954 2.651 0.000) 3.293 9.593 ( -7.736 -6.186 0.000) 9.905 9.949 ( -5.372 -9.293 0.000) 10.734 10.088 ( -1.108 -2.469 0.000) 2.706 10.574 ( -1.713 -3.707 0.000) 4.084 10.760 ( -2.368 -4.317 0.000) 4.924 10.931 ( -16.166 6.662 0.000) 17.485 16.962 ( 0.026 15.626 0.000) 15.626 17.055 ( 0.744 -0.999 0.000) 1.246 17.165 ( 1.712 8.455 0.000) 8.627 17.418 ( -5.020 7.915 0.000) 9.373 17.566 ( -0.830 2.675 0.000) 2.801 17.597 ( -0.004 -1.656 0.000) 1.656 18.088 ( 0.840 -13.035 0.000) 13.062 18.173 ( -0.613 -8.298 0.000) 8.321 19.906 ( 9.375 -0.302 0.000) 9.380 20.109 ( 26.761 -11.227 0.000) 29.020 21.884 ( -3.828 -0.100 0.000) 3.829 21.994 ( -2.894 -1.339 0.000) 3.188 27.684 ( 1.086 -6.314 0.000) 6.407 27.930 ( 0.186 -4.840 0.000) 4.844 27.963 ( -0.186 -8.030 0.000) 8.032 28.042 ( -1.914 -5.577 0.000) 5.897 37.458 ( 3.666 9.009 0.000) 9.726 37.844 ( 3.333 5.980 0.000) 6.847 38.287 ( 0.258 -1.580 0.000) 1.601 38.526 ( 6.146 -4.735 0.000) 7.758 38.763 ( -0.725 2.750 0.000) 2.844 39.293 ( -4.954 18.963 0.000) 19.599 40.593 ( -44.159 17.112 0.000) 47.358 40.852 ( -9.394 -21.135 0.000) 23.129 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 21.177 14.680 0.000) 25.767 1.864 ( 18.455 23.234 0.000) 29.672 2.745 ( 12.790 23.638 0.000) 26.876 2.951 ( -2.640 4.971 0.000) 5.629 3.073 ( -4.078 13.717 0.000) 14.311 3.159 ( -7.507 5.828 0.000) 9.504 3.420 ( -3.737 0.552 0.000) 3.777 3.573 ( -6.198 7.667 0.000) 9.859 3.765 ( -5.631 18.961 0.000) 19.780 4.086 ( 10.336 -1.979 0.000) 10.524 4.407 ( 2.711 24.783 0.000) 24.931 4.567 ( -4.034 12.299 0.000) 12.944 5.190 ( -11.231 -6.160 0.000) 12.809 5.263 ( -1.194 -8.761 0.000) 8.842 5.565 ( 3.610 3.430 0.000) 4.980 5.841 ( 3.244 3.346 0.000) 4.660 6.185 ( 9.960 14.068 0.000) 17.237 6.244 ( 12.490 11.396 0.000) 16.908 6.377 ( 12.223 1.014 0.000) 12.265 6.727 ( 10.782 3.915 0.000) 11.471 6.749 ( -0.744 41.152 0.000) 41.159 7.353 ( 0.970 -5.869 0.000) 5.949 7.379 ( -0.385 0.839 0.000) 0.924 7.613 ( 5.812 5.280 0.000) 7.852 7.704 ( -0.348 18.821 0.000) 18.824 7.975 ( 10.518 14.194 0.000) 17.666 8.367 ( -0.885 0.460 0.000) 0.997 8.380 ( -6.666 11.599 0.000) 13.378 8.731 ( -1.382 1.374 0.000) 1.949 8.931 ( -3.132 3.220 0.000) 4.492 9.379 ( -13.669 -5.885 0.000) 14.882 9.813 ( -8.177 -6.336 0.000) 10.345 10.065 ( -0.890 -4.138 0.000) 4.232 10.519 ( -3.873 -5.832 0.000) 7.001 10.614 ( -14.153 9.409 0.000) 16.996 10.693 ( -4.304 -5.419 0.000) 6.920 16.966 ( 0.504 13.907 0.000) 13.916 17.072 ( 0.696 0.260 0.000) 0.743 17.211 ( 2.836 8.407 0.000) 8.873 17.345 ( -2.040 6.327 0.000) 6.648 17.536 ( -2.120 3.766 0.000) 4.322 17.590 ( -0.950 -1.609 0.000) 1.869 18.108 ( 1.160 -11.989 0.000) 12.045 18.160 ( -0.621 -8.103 0.000) 8.127 20.164 ( 16.392 -0.302 0.000) 16.395 20.641 ( 25.026 -18.665 0.000) 31.220 21.769 ( -7.958 -0.152 0.000) 7.959 21.910 ( -5.638 -1.975 0.000) 5.973 27.714 ( 1.994 -6.413 0.000) 6.716 27.930 ( -0.239 -6.001 0.000) 6.006 27.958 ( -0.313 -7.672 0.000) 7.678 27.997 ( -2.385 -5.531 0.000) 6.023 37.566 ( 7.330 10.663 0.000) 12.939 37.939 ( 6.320 7.616 0.000) 9.897 38.292 ( 0.111 0.826 0.000) 0.834 38.703 ( 11.900 -5.892 0.000) 13.278 38.744 ( -1.071 1.358 0.000) 1.730 39.155 ( -8.964 15.581 0.000) 17.976 39.706 ( -41.614 33.103 0.000) 53.175 40.591 ( -16.834 -19.014 0.000) 25.395 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 18.366 12.151 0.000) 22.022 2.232 ( 18.110 16.151 0.000) 24.265 2.831 ( -3.769 0.499 0.000) 3.802 2.895 ( -3.145 4.128 0.000) 5.189 2.988 ( -9.337 9.614 0.000) 13.401 3.113 ( 2.690 13.725 0.000) 13.986 3.379 ( -0.137 5.627 0.000) 5.629 3.539 ( 7.071 14.055 0.000) 15.733 3.666 ( -4.831 22.367 0.000) 22.883 4.274 ( 6.031 3.298 0.000) 6.874 4.464 ( 3.156 28.906 0.000) 29.077 4.511 ( 0.472 3.296 0.000) 3.330 4.942 ( -13.552 3.434 0.000) 13.981 5.150 ( -9.239 -10.955 0.000) 14.331 5.652 ( 5.112 3.464 0.000) 6.175 5.881 ( 0.222 3.595 0.000) 3.601 6.392 ( 10.612 16.486 0.000) 19.606 6.469 ( 9.606 9.389 0.000) 13.432 6.578 ( 7.267 12.143 0.000) 14.152 6.732 ( -0.924 39.823 0.000) 39.834 7.002 ( 17.028 -0.321 0.000) 17.031 7.367 ( 0.680 -6.064 0.000) 6.102 7.372 ( -0.419 -5.232 0.000) 5.249 7.721 ( 2.180 21.622 0.000) 21.731 7.814 ( 14.277 0.193 0.000) 14.279 8.130 ( 1.518 20.463 0.000) 20.519 8.196 ( -14.382 0.822 0.000) 14.405 8.274 ( 0.229 9.597 0.000) 9.599 8.697 ( -6.149 10.147 0.000) 11.864 8.934 ( 1.425 -4.895 0.000) 5.098 9.094 ( -11.145 -1.947 0.000) 11.314 9.634 ( -10.047 -3.651 0.000) 10.690 10.068 ( 1.499 -5.746 0.000) 5.938 10.390 ( -8.286 2.669 0.000) 8.705 10.450 ( -3.348 -6.055 0.000) 6.919 10.597 ( -5.288 -6.651 0.000) 8.497 16.983 ( 1.180 11.892 0.000) 11.951 17.072 ( -0.767 3.861 0.000) 3.936 17.273 ( 3.411 7.788 0.000) 8.503 17.342 ( 1.622 2.175 0.000) 2.713 17.486 ( -2.854 5.136 0.000) 5.876 17.555 ( -2.628 -1.469 0.000) 3.011 18.130 ( 0.985 -10.644 0.000) 10.690 18.152 ( -0.195 -8.054 0.000) 8.056 20.524 ( 19.846 -0.266 0.000) 19.848 21.062 ( 18.139 -15.748 0.000) 24.022 21.569 ( -12.564 -0.175 0.000) 12.565 21.776 ( -7.991 -3.492 0.000) 8.721 27.760 ( 2.584 -6.601 0.000) 7.088 27.913 ( -1.762 -6.968 0.000) 7.188 27.952 ( -0.308 -7.146 0.000) 7.153 27.960 ( -1.154 -5.489 0.000) 5.610 37.744 ( 10.858 13.435 0.000) 17.274 38.086 ( 8.520 10.220 0.000) 13.306 38.283 ( -1.495 5.509 0.000) 5.708 38.727 ( -0.458 -0.479 0.000) 0.663 38.909 ( -15.917 15.631 0.000) 22.308 38.996 ( 14.223 -4.922 0.000) 15.050 39.062 ( -20.333 21.571 0.000) 29.644 40.214 ( -21.170 -16.096 0.000) 26.594 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 14.666 8.890 0.000) 17.149 2.520 ( 8.581 8.088 0.000) 11.792 2.743 ( -3.938 6.769 0.000) 7.831 2.770 ( -9.270 13.581 0.000) 16.443 2.894 ( 2.316 1.229 0.000) 2.622 3.024 ( -8.575 2.297 0.000) 8.877 3.424 ( 4.455 13.611 0.000) 14.322 3.534 ( -6.189 19.115 0.000) 20.092 3.869 ( 19.514 13.735 0.000) 23.863 4.198 ( -12.157 11.022 0.000) 16.410 4.540 ( 4.958 29.117 0.000) 29.536 4.644 ( 4.078 0.204 0.000) 4.083 4.718 ( -1.948 7.927 0.000) 8.163 4.931 ( -12.568 -12.313 0.000) 17.594 5.757 ( 5.332 3.676 0.000) 6.476 5.847 ( -3.484 3.849 0.000) 5.191 6.562 ( 5.770 15.854 0.000) 16.871 6.593 ( 2.646 9.663 0.000) 10.019 6.670 ( 2.850 23.824 0.000) 23.994 6.711 ( -1.459 36.026 0.000) 36.056 7.310 ( 7.732 -6.940 0.000) 10.389 7.359 ( -0.968 -7.667 0.000) 7.728 7.446 ( 13.120 -1.873 0.000) 13.253 7.743 ( -6.574 8.103 0.000) 10.434 7.917 ( -6.767 11.476 0.000) 13.323 7.983 ( -5.434 10.847 0.000) 12.132 8.187 ( 16.380 7.872 0.000) 18.173 8.418 ( 10.691 11.378 0.000) 15.613 8.504 ( -13.199 7.778 0.000) 15.320 8.684 ( -16.741 2.126 0.000) 16.876 9.197 ( 11.355 -1.605 0.000) 11.468 9.423 ( -11.340 -2.044 0.000) 11.523 10.130 ( 4.715 -5.846 0.000) 7.511 10.245 ( -6.780 -3.344 0.000) 7.560 10.431 ( 1.545 -6.816 0.000) 6.989 10.497 ( -4.655 -7.251 0.000) 8.616 17.011 ( 1.698 9.745 0.000) 9.892 17.046 ( -1.725 7.276 0.000) 7.478 17.341 ( 3.438 6.394 0.000) 7.260 17.385 ( 0.911 0.636 0.000) 1.111 17.438 ( -0.557 5.065 0.000) 5.096 17.491 ( -3.728 -0.668 0.000) 3.787 18.145 ( 0.484 -9.371 0.000) 9.383 18.150 ( -0.084 -8.451 0.000) 8.451 20.917 ( 19.725 -0.208 0.000) 19.726 21.279 ( -16.894 -0.177 0.000) 16.895 21.367 ( 13.402 -10.570 0.000) 17.069 21.597 ( -10.338 -6.299 0.000) 12.106 27.813 ( 2.798 -6.846 0.000) 7.395 27.867 ( -2.659 -7.037 0.000) 7.523 27.947 ( -0.124 -6.554 0.000) 6.556 27.948 ( -0.235 -5.984 0.000) 5.988 37.983 ( 13.068 16.497 0.000) 21.046 38.204 ( -7.663 13.335 0.000) 15.379 38.267 ( 10.012 13.329 0.000) 16.670 38.515 ( -16.978 19.466 0.000) 25.830 38.740 ( 2.255 -1.071 0.000) 2.497 38.833 ( -7.507 3.697 0.000) 8.368 39.360 ( 20.580 -9.998 0.000) 22.880 39.784 ( -22.253 -12.957 0.000) 25.750 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.000 25.981 0.000) 25.981 2.077 ( 0.000 30.590 0.000) 30.590 2.963 ( 0.000 4.548 0.000) 4.548 3.045 ( 0.000 0.606 0.000) 0.606 3.241 ( 0.000 2.307 0.000) 2.307 3.568 ( 0.000 27.059 0.000) 27.059 3.706 ( 0.000 -2.319 0.000) 2.319 3.825 ( 0.000 5.539 0.000) 5.539 3.922 ( 0.000 7.790 0.000) 7.790 4.002 ( 0.000 -2.867 0.000) 2.867 4.717 ( 0.000 -6.132 0.000) 6.132 4.838 ( 0.000 -5.447 0.000) 5.447 5.033 ( 0.000 29.056 0.000) 29.056 5.317 ( 0.000 0.384 0.000) 0.384 5.578 ( 0.000 4.696 0.000) 4.696 5.890 ( 0.000 6.193 0.000) 6.193 5.960 ( 0.000 0.859 0.000) 0.859 6.066 ( 0.000 4.131 0.000) 4.131 6.318 ( 0.000 11.463 0.000) 11.463 6.426 ( 0.000 -1.900 0.000) 1.900 7.191 ( 0.000 -19.205 0.000) 19.205 7.272 ( 0.000 -10.871 0.000) 10.871 7.633 ( 0.000 11.187 0.000) 11.187 7.698 ( 0.000 45.420 0.000) 45.420 8.032 ( 0.000 12.902 0.000) 12.902 8.229 ( 0.000 23.584 0.000) 23.584 8.254 ( 0.000 3.109 0.000) 3.109 8.782 ( 0.000 13.755 0.000) 13.755 8.803 ( 0.000 -3.427 0.000) 3.427 9.074 ( 0.000 6.960 0.000) 6.960 9.552 ( 0.000 -5.199 0.000) 5.199 9.757 ( 0.000 -13.631 0.000) 13.631 10.144 ( 0.000 5.655 0.000) 5.655 10.587 ( 0.000 3.074 0.000) 3.074 10.694 ( 0.000 -5.030 0.000) 5.030 11.111 ( 0.000 -1.367 0.000) 1.367 17.057 ( 0.000 1.893 0.000) 1.893 17.270 ( 0.000 13.280 0.000) 13.280 17.301 ( 0.000 6.035 0.000) 6.035 17.574 ( 0.000 -3.113 0.000) 3.113 17.592 ( 0.000 2.102 0.000) 2.102 17.612 ( 0.000 5.220 0.000) 5.220 17.832 ( 0.000 -9.189 0.000) 9.189 17.998 ( 0.000 -9.176 0.000) 9.176 19.792 ( 0.000 0.156 0.000) 0.156 19.811 ( 0.000 -0.244 0.000) 0.244 21.921 ( 0.000 0.128 0.000) 0.128 21.996 ( 0.000 -1.439 0.000) 1.439 27.553 ( 0.000 -5.246 0.000) 5.246 27.788 ( 0.000 -9.209 0.000) 9.209 27.842 ( 0.000 -3.999 0.000) 3.999 27.942 ( 0.000 -6.089 0.000) 6.089 37.598 ( 0.000 8.813 0.000) 8.813 37.899 ( 0.000 2.874 0.000) 2.874 38.241 ( 0.000 -1.892 0.000) 1.892 38.372 ( 0.000 -4.737 0.000) 4.737 38.889 ( 0.000 9.137 0.000) 9.137 39.774 ( 0.000 22.386 0.000) 22.386 40.464 ( 0.000 -25.640 0.000) 25.640 41.007 ( 0.000 -6.711 0.000) 6.711 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 12.019 22.220 0.000) 25.262 2.152 ( 7.362 28.707 0.000) 29.636 2.946 ( -1.841 2.070 0.000) 2.770 3.057 ( 1.131 2.938 0.000) 3.148 3.253 ( 0.869 1.434 0.000) 1.676 3.555 ( -1.051 26.848 0.000) 26.869 3.574 ( -9.146 0.797 0.000) 9.181 3.836 ( -6.434 5.148 0.000) 8.241 3.917 ( 5.839 1.176 0.000) 5.957 4.043 ( 2.705 5.129 0.000) 5.799 4.700 ( -1.776 -6.513 0.000) 6.751 4.776 ( -1.806 6.359 0.000) 6.610 5.181 ( 8.448 15.675 0.000) 17.806 5.282 ( -2.921 3.648 0.000) 4.673 5.603 ( 2.308 5.517 0.000) 5.980 5.891 ( 1.075 6.196 0.000) 6.288 6.059 ( 9.020 -1.511 0.000) 9.145 6.139 ( 6.915 2.195 0.000) 7.255 6.318 ( 2.608 9.638 0.000) 9.985 6.577 ( 12.628 1.604 0.000) 12.730 7.173 ( -1.637 -18.405 0.000) 18.477 7.245 ( -2.262 -9.493 0.000) 9.758 7.637 ( 0.491 8.387 0.000) 8.401 7.689 ( -0.979 44.286 0.000) 44.297 8.084 ( 5.069 11.380 0.000) 12.458 8.219 ( -0.591 21.350 0.000) 21.359 8.322 ( 5.827 4.869 0.000) 7.594 8.760 ( -2.106 15.133 0.000) 15.279 8.769 ( -3.349 -2.602 0.000) 4.241 9.068 ( -0.576 7.099 0.000) 7.122 9.476 ( -7.604 -4.897 0.000) 9.044 9.731 ( -2.611 -12.345 0.000) 12.618 10.116 ( -2.649 4.954 0.000) 5.618 10.549 ( -3.777 2.288 0.000) 4.416 10.665 ( -2.902 -5.114 0.000) 5.880 11.009 ( -9.715 1.487 0.000) 9.828 17.060 ( 0.440 1.595 0.000) 1.654 17.242 ( -1.826 10.690 0.000) 10.845 17.331 ( 2.059 7.756 0.000) 8.025 17.530 ( -3.618 0.913 0.000) 3.732 17.595 ( 0.207 2.289 0.000) 2.298 17.615 ( 0.024 2.960 0.000) 2.960 17.846 ( 1.320 -9.294 0.000) 9.388 17.995 ( -0.321 -8.939 0.000) 8.945 19.901 ( 9.475 -0.206 0.000) 9.477 19.976 ( 16.743 -3.746 0.000) 17.157 21.884 ( -3.861 0.124 0.000) 3.863 21.965 ( -3.240 -1.591 0.000) 3.610 27.563 ( 1.022 -5.284 0.000) 5.382 27.789 ( 0.102 -9.052 0.000) 9.052 27.837 ( -0.546 -4.254 0.000) 4.289 27.923 ( -1.745 -5.958 0.000) 6.208 37.645 ( 4.731 9.279 0.000) 10.415 37.943 ( 4.501 3.405 0.000) 5.644 38.255 ( 1.505 -1.393 0.000) 2.051 38.424 ( 5.252 -5.215 0.000) 7.401 38.870 ( -1.897 8.518 0.000) 8.727 39.703 ( -7.189 21.333 0.000) 22.511 40.387 ( -7.706 -24.753 0.000) 25.925 40.742 ( -25.019 0.563 0.000) 25.026 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 15.265 15.178 0.000) 21.527 2.346 ( 11.802 24.112 0.000) 26.845 2.888 ( -3.934 -1.786 0.000) 4.321 3.065 ( -1.510 6.037 0.000) 6.223 3.248 ( -2.571 3.140 0.000) 4.059 3.429 ( -3.157 0.435 0.000) 3.187 3.508 ( -4.767 17.811 0.000) 18.438 3.768 ( 1.751 16.253 0.000) 16.347 4.038 ( 6.926 -2.513 0.000) 7.367 4.078 ( 0.286 10.915 0.000) 10.919 4.640 ( -4.496 -7.031 0.000) 8.345 4.784 ( 1.435 3.900 0.000) 4.155 5.226 ( -2.489 11.573 0.000) 11.838 5.253 ( -1.257 15.530 0.000) 15.581 5.664 ( 3.950 6.524 0.000) 7.627 5.936 ( 3.118 6.064 0.000) 6.818 6.300 ( 15.027 -3.579 0.000) 15.448 6.310 ( 9.789 -0.819 0.000) 9.824 6.441 ( 9.652 9.094 0.000) 13.261 6.864 ( 15.321 5.079 0.000) 16.141 7.139 ( -1.596 -16.806 0.000) 16.881 7.207 ( -0.941 -9.212 0.000) 9.260 7.654 ( -2.745 40.591 0.000) 40.684 7.664 ( 2.764 4.211 0.000) 5.037 8.200 ( -1.691 19.801 0.000) 19.873 8.215 ( 7.903 7.081 0.000) 10.611 8.417 ( 0.656 6.015 0.000) 6.051 8.705 ( -3.317 19.201 0.000) 19.485 8.717 ( 0.917 -1.695 0.000) 1.927 9.045 ( -2.499 8.254 0.000) 8.624 9.272 ( -12.325 -3.986 0.000) 12.954 9.659 ( -4.666 -9.144 0.000) 10.265 10.054 ( -3.155 3.262 0.000) 4.538 10.447 ( -6.359 0.319 0.000) 6.367 10.585 ( -5.033 -5.212 0.000) 7.246 10.774 ( -13.123 5.849 0.000) 14.368 17.078 ( 1.394 1.024 0.000) 1.730 17.209 ( -1.463 9.154 0.000) 9.270 17.372 ( 2.024 6.794 0.000) 7.089 17.459 ( -3.196 2.897 0.000) 4.313 17.594 ( -0.501 2.893 0.000) 2.936 17.610 ( -0.586 3.689 0.000) 3.735 17.881 ( 2.111 -9.286 0.000) 9.522 17.989 ( -0.242 -8.353 0.000) 8.357 20.160 ( 16.481 -0.015 0.000) 16.481 20.376 ( 22.331 -8.989 0.000) 24.072 21.769 ( -7.995 0.105 0.000) 7.996 21.868 ( -6.601 -2.149 0.000) 6.942 27.592 ( 1.858 -5.392 0.000) 5.704 27.792 ( 0.214 -8.609 0.000) 8.612 27.820 ( -1.235 -4.897 0.000) 5.050 27.881 ( -2.286 -5.768 0.000) 6.205 37.784 ( 9.480 10.675 0.000) 14.277 38.073 ( 8.749 5.080 0.000) 10.117 38.298 ( 2.811 0.136 0.000) 2.814 38.576 ( 10.152 -6.627 0.000) 12.124 38.818 ( -3.323 6.667 0.000) 7.449 39.502 ( -12.953 18.421 0.000) 22.519 40.138 ( -33.896 11.978 0.000) 35.950 40.172 ( -13.907 -22.320 0.000) 26.298 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 14.306 8.945 0.000) 16.873 2.579 ( 10.549 17.552 0.000) 20.478 2.811 ( -3.151 -2.487 0.000) 4.014 2.985 ( -5.097 4.579 0.000) 6.852 3.140 ( -7.331 6.015 0.000) 9.483 3.379 ( -7.811 13.201 0.000) 15.339 3.492 ( 7.946 5.559 0.000) 9.697 3.891 ( 8.901 18.380 0.000) 20.422 4.042 ( -3.613 14.606 0.000) 15.046 4.198 ( 9.323 -6.859 0.000) 11.574 4.525 ( -7.074 -4.886 0.000) 8.597 4.779 ( -3.213 -8.350 0.000) 8.947 5.184 ( -3.864 25.394 0.000) 25.686 5.186 ( -1.662 19.832 0.000) 19.901 5.758 ( 5.500 7.204 0.000) 9.063 5.983 ( 0.960 6.643 0.000) 6.712 6.496 ( 8.667 -2.474 0.000) 9.013 6.556 ( 8.902 -0.602 0.000) 8.922 6.723 ( 19.169 6.400 0.000) 20.209 7.083 ( 4.404 -1.835 0.000) 4.771 7.116 ( -0.705 -15.348 0.000) 15.364 7.277 ( 10.290 0.809 0.000) 10.322 7.572 ( -5.944 34.002 0.000) 34.517 7.773 ( 8.982 -0.153 0.000) 8.983 8.112 ( -9.046 10.305 0.000) 13.712 8.330 ( -5.768 14.452 0.000) 15.561 8.376 ( 7.864 2.599 0.000) 8.282 8.647 ( -1.742 24.813 0.000) 24.874 8.812 ( 0.824 -5.788 0.000) 5.847 8.917 ( -7.447 10.773 0.000) 13.096 9.088 ( -3.605 2.085 0.000) 4.164 9.547 ( -6.945 -5.160 0.000) 8.652 10.018 ( 0.061 1.471 0.000) 1.472 10.317 ( -6.444 -2.071 0.000) 6.768 10.479 ( -5.482 -4.787 0.000) 7.278 10.531 ( -10.955 6.887 0.000) 12.940 17.112 ( 1.923 1.106 0.000) 2.218 17.185 ( -0.997 7.406 0.000) 7.473 17.407 ( 1.366 4.318 0.000) 4.529 17.414 ( -1.340 2.819 0.000) 3.121 17.575 ( -1.196 4.544 0.000) 4.699 17.593 ( -1.075 5.446 0.000) 5.551 17.923 ( 2.111 -8.884 0.000) 9.131 17.985 ( -0.148 -7.848 0.000) 7.849 20.522 ( 19.928 0.143 0.000) 19.928 20.804 ( 20.776 -10.045 0.000) 23.077 21.568 ( -12.549 0.117 0.000) 12.550 21.706 ( -9.968 -3.399 0.000) 10.532 27.634 ( 2.398 -5.549 0.000) 6.045 27.786 ( -2.260 -5.518 0.000) 5.962 27.798 ( 0.361 -7.960 0.000) 7.968 27.843 ( -1.504 -5.886 0.000) 6.075 38.014 ( 13.941 12.966 0.000) 19.038 38.281 ( 12.242 8.240 0.000) 14.757 38.362 ( 3.491 2.922 0.000) 4.552 38.748 ( -3.404 3.455 0.000) 4.850 38.815 ( 13.938 -8.795 0.000) 16.481 39.210 ( -16.385 14.313 0.000) 21.757 39.494 ( -30.545 16.582 0.000) 34.755 39.859 ( -17.645 -18.897 0.000) 25.854 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 10.714 4.797 0.000) 11.739 2.671 ( -2.183 6.640 0.000) 6.989 2.797 ( 2.500 -0.673 0.000) 2.589 2.907 ( -6.078 0.333 0.000) 6.087 3.055 ( 3.724 14.945 0.000) 15.402 3.211 ( -9.169 14.418 0.000) 17.086 3.686 ( 10.881 12.186 0.000) 16.338 3.886 ( -8.690 15.868 0.000) 18.092 4.126 ( 10.873 10.214 0.000) 14.918 4.317 ( -5.545 -0.438 0.000) 5.562 4.445 ( 6.971 -9.840 0.000) 12.059 4.642 ( -9.902 -15.042 0.000) 18.009 5.145 ( -0.176 30.304 0.000) 30.305 5.158 ( -1.171 26.287 0.000) 26.313 5.870 ( 5.597 7.691 0.000) 9.512 5.960 ( -3.209 7.556 0.000) 8.209 6.629 ( 4.524 -2.345 0.000) 5.095 6.659 ( 1.771 -1.178 0.000) 2.127 7.098 ( 9.476 7.033 0.000) 11.801 7.109 ( -0.076 -13.856 0.000) 13.856 7.120 ( 9.160 -6.575 0.000) 11.275 7.406 ( -11.511 23.818 0.000) 26.454 7.537 ( 14.897 10.162 0.000) 18.033 7.847 ( -16.146 6.825 0.000) 17.529 8.007 ( 13.663 -1.689 0.000) 13.767 8.227 ( -7.061 10.412 0.000) 12.581 8.482 ( 3.078 8.868 0.000) 9.387 8.599 ( -11.039 5.147 0.000) 12.179 8.690 ( 6.602 19.348 0.000) 20.443 8.843 ( -7.144 11.489 0.000) 13.529 9.179 ( 10.240 0.772 0.000) 10.269 9.383 ( -9.721 -1.584 0.000) 9.849 10.068 ( 4.937 0.262 0.000) 4.944 10.191 ( -6.807 -1.784 0.000) 7.037 10.382 ( -3.399 2.587 0.000) 4.272 10.389 ( -3.202 -2.763 0.000) 4.230 17.146 ( 1.434 2.710 0.000) 3.066 17.168 ( -0.889 5.199 0.000) 5.275 17.407 ( 0.472 1.470 0.000) 1.544 17.418 ( -0.264 1.301 0.000) 1.327 17.560 ( -0.127 7.155 0.000) 7.157 17.571 ( -1.054 7.143 0.000) 7.220 17.959 ( 1.453 -8.289 0.000) 8.416 17.979 ( -0.611 -7.841 0.000) 7.864 20.916 ( 19.758 0.206 0.000) 19.759 21.177 ( 17.197 -8.142 0.000) 19.027 21.278 ( -16.875 0.175 0.000) 16.876 21.477 ( -13.462 -5.515 0.000) 14.548 27.684 ( 2.649 -5.690 0.000) 6.276 27.736 ( -2.675 -5.721 0.000) 6.315 27.807 ( 0.575 -7.213 0.000) 7.236 27.821 ( -0.887 -6.474 0.000) 6.535 38.307 ( 13.880 15.382 0.000) 20.719 38.419 ( 1.291 8.335 0.000) 8.434 38.534 ( 12.758 12.513 0.000) 17.870 38.727 ( 4.056 -0.029 0.000) 4.056 38.837 ( -18.293 11.288 0.000) 21.495 38.982 ( -19.657 10.505 0.000) 22.288 39.149 ( 15.866 -10.105 0.000) 18.811 39.499 ( -18.659 -15.069 0.000) 23.984 ======================= Grid point 36 (21/120) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 0.000 24.071 0.000) 24.071 2.611 ( 0.000 22.363 0.000) 22.363 2.856 ( 0.000 -12.212 0.000) 12.212 3.043 ( 0.000 -1.554 0.000) 1.554 3.321 ( 0.000 5.492 0.000) 5.492 3.613 ( 0.000 -6.890 0.000) 6.890 3.887 ( 0.000 2.731 0.000) 2.731 3.961 ( 0.000 8.689 0.000) 8.689 3.983 ( 0.000 -0.691 0.000) 0.691 4.197 ( 0.000 21.618 0.000) 21.618 4.477 ( 0.000 -15.155 0.000) 15.155 4.732 ( 0.000 -6.107 0.000) 6.107 5.431 ( 0.000 8.541 0.000) 8.541 5.484 ( 0.000 16.575 0.000) 16.575 5.648 ( 0.000 1.015 0.000) 1.015 5.896 ( 0.000 -6.334 0.000) 6.334 6.056 ( 0.000 10.502 0.000) 10.502 6.159 ( 0.000 7.059 0.000) 7.059 6.406 ( 0.000 -2.174 0.000) 2.174 6.568 ( 0.000 12.525 0.000) 12.525 6.776 ( 0.000 -21.198 0.000) 21.198 7.026 ( 0.000 -12.898 0.000) 12.898 7.886 ( 0.000 13.518 0.000) 13.518 8.188 ( 0.000 2.550 0.000) 2.550 8.313 ( 0.000 5.693 0.000) 5.693 8.437 ( 0.000 23.941 0.000) 23.941 8.459 ( 0.000 0.940 0.000) 0.940 8.767 ( 0.000 -0.371 0.000) 0.371 9.021 ( 0.000 10.181 0.000) 10.181 9.299 ( 0.000 12.910 0.000) 12.910 9.479 ( 0.000 -13.820 0.000) 13.820 9.487 ( 0.000 -1.083 0.000) 1.083 10.288 ( 0.000 8.061 0.000) 8.061 10.583 ( 0.000 -6.212 0.000) 6.212 10.720 ( 0.000 9.519 0.000) 9.519 11.054 ( 0.000 -4.739 0.000) 4.739 17.121 ( 0.000 4.603 0.000) 4.603 17.378 ( 0.000 2.590 0.000) 2.590 17.421 ( 0.000 -9.943 0.000) 9.943 17.445 ( 0.000 3.498 0.000) 3.498 17.681 ( 0.000 5.613 0.000) 5.613 17.695 ( 0.000 3.133 0.000) 3.133 17.753 ( 0.000 -0.844 0.000) 0.844 17.847 ( 0.000 -5.284 0.000) 5.284 19.796 ( 0.000 0.216 0.000) 0.216 19.806 ( 0.000 -0.276 0.000) 0.276 21.928 ( 0.000 0.532 0.000) 0.532 21.968 ( 0.000 -1.378 0.000) 1.378 27.483 ( 0.000 -1.422 0.000) 1.422 27.617 ( 0.000 -7.538 0.000) 7.538 27.781 ( 0.000 -1.897 0.000) 1.897 27.834 ( 0.000 -4.452 0.000) 4.452 37.758 ( 0.000 6.928 0.000) 6.928 37.918 ( 0.000 -0.878 0.000) 0.878 38.217 ( 0.000 -0.359 0.000) 0.359 38.286 ( 0.000 -3.729 0.000) 3.729 39.137 ( 0.000 15.599 0.000) 15.599 39.957 ( 0.000 -24.648 0.000) 24.648 40.204 ( 0.000 20.251 0.000) 20.251 40.832 ( 0.000 -10.986 0.000) 10.986 ======================= Grid point 37 (22/120) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 6.170 21.277 0.000) 22.153 2.662 ( 4.950 21.755 0.000) 22.311 2.836 ( -2.006 -11.019 0.000) 11.200 3.087 ( 4.265 -0.798 0.000) 4.339 3.313 ( -0.974 4.438 0.000) 4.544 3.542 ( -6.437 -4.365 0.000) 7.777 3.833 ( -4.429 4.920 0.000) 6.620 3.978 ( 1.558 5.942 0.000) 6.143 3.998 ( 1.370 1.089 0.000) 1.750 4.226 ( 2.553 18.405 0.000) 18.581 4.455 ( -2.132 -15.132 0.000) 15.281 4.731 ( -0.408 -6.090 0.000) 6.104 5.453 ( 2.478 10.761 0.000) 11.042 5.575 ( 7.784 17.837 0.000) 19.462 5.698 ( 4.506 2.281 0.000) 5.051 5.967 ( 6.672 -3.290 0.000) 7.439 6.078 ( 2.726 8.728 0.000) 9.144 6.187 ( 2.995 4.886 0.000) 5.731 6.431 ( 2.997 -0.587 0.000) 3.054 6.652 ( 8.370 6.469 0.000) 10.578 6.770 ( -0.488 -20.724 0.000) 20.730 7.014 ( -1.144 -12.431 0.000) 12.484 7.869 ( -1.349 13.691 0.000) 13.757 8.209 ( 1.990 1.044 0.000) 2.247 8.321 ( -1.348 11.371 0.000) 11.451 8.385 ( -1.037 8.229 0.000) 8.294 8.530 ( 4.291 10.110 0.000) 10.983 8.740 ( -2.567 -0.275 0.000) 2.581 9.023 ( 0.255 10.965 0.000) 10.968 9.280 ( -1.831 11.640 0.000) 11.783 9.424 ( -6.285 -0.069 0.000) 6.285 9.474 ( -0.569 -12.983 0.000) 12.995 10.255 ( -3.139 8.239 0.000) 8.817 10.556 ( -2.694 -6.031 0.000) 6.605 10.674 ( -4.514 9.446 0.000) 10.469 10.991 ( -6.156 -3.453 0.000) 7.058 17.120 ( -0.030 4.454 0.000) 4.454 17.360 ( -1.625 3.143 0.000) 3.538 17.415 ( -0.664 -9.384 0.000) 9.407 17.448 ( 0.138 2.196 0.000) 2.201 17.687 ( 0.539 5.710 0.000) 5.736 17.691 ( -0.178 3.577 0.000) 3.582 17.761 ( 0.780 -1.003 0.000) 1.271 17.850 ( 0.356 -4.879 0.000) 4.892 19.900 ( 9.789 0.129 0.000) 9.789 19.928 ( 12.415 -1.518 0.000) 12.507 21.890 ( -3.838 0.567 0.000) 3.880 21.933 ( -3.527 -1.497 0.000) 3.831 27.492 ( 0.913 -1.498 0.000) 1.754 27.621 ( 0.422 -7.380 0.000) 7.392 27.771 ( -0.938 -2.068 0.000) 2.271 27.818 ( -1.501 -4.305 0.000) 4.559 37.811 ( 5.452 7.160 0.000) 9.000 37.970 ( 5.337 -0.603 0.000) 5.371 38.240 ( 2.426 0.071 0.000) 2.427 38.328 ( 4.264 -4.216 0.000) 5.996 39.106 ( -3.127 14.989 0.000) 15.312 39.898 ( -5.973 -23.812 0.000) 24.550 40.111 ( -9.318 19.093 0.000) 21.245 40.665 ( -16.385 -7.777 0.000) 18.138 ======================= Grid point 38 (23/120) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 8.063 14.923 0.000) 16.962 2.783 ( -3.113 -8.254 0.000) 8.822 2.789 ( 7.279 19.610 0.000) 20.918 3.158 ( -0.539 2.032 0.000) 2.102 3.294 ( -0.184 2.028 0.000) 2.036 3.422 ( -2.350 -1.906 0.000) 3.026 3.743 ( -4.494 9.740 0.000) 10.727 4.021 ( 2.944 2.101 0.000) 3.617 4.042 ( 3.160 2.143 0.000) 3.818 4.275 ( 1.829 13.598 0.000) 13.721 4.406 ( -2.502 -13.776 0.000) 14.002 4.694 ( -3.954 -7.087 0.000) 8.116 5.525 ( 4.502 15.621 0.000) 16.257 5.714 ( 4.975 24.043 0.000) 24.552 5.802 ( 5.840 5.640 0.000) 8.119 6.076 ( 3.757 7.615 0.000) 8.491 6.236 ( 13.142 -2.790 0.000) 13.434 6.276 ( 5.969 -0.439 0.000) 5.986 6.537 ( 8.045 -1.387 0.000) 8.164 6.762 ( -0.305 -19.737 0.000) 19.740 6.870 ( 11.134 -3.021 0.000) 11.537 7.003 ( 2.743 -9.327 0.000) 9.722 7.856 ( 0.705 13.837 0.000) 13.855 8.226 ( -7.346 15.573 0.000) 17.218 8.262 ( 3.565 -2.152 0.000) 4.164 8.377 ( -2.914 2.871 0.000) 4.091 8.605 ( 1.916 8.090 0.000) 8.314 8.694 ( -0.336 -0.301 0.000) 0.451 9.030 ( 0.338 12.663 0.000) 12.667 9.233 ( -2.935 8.142 0.000) 8.655 9.261 ( -9.350 3.532 0.000) 9.995 9.456 ( -1.289 -10.813 0.000) 10.889 10.182 ( -3.814 8.730 0.000) 9.527 10.485 ( -4.222 -5.232 0.000) 6.723 10.552 ( -7.637 9.259 0.000) 12.002 10.829 ( -9.832 -0.687 0.000) 9.856 17.126 ( 0.747 3.967 0.000) 4.036 17.322 ( -2.107 3.499 0.000) 4.084 17.397 ( -0.980 -7.673 0.000) 7.735 17.445 ( -0.493 -0.096 0.000) 0.503 17.693 ( 0.307 4.208 0.000) 4.219 17.697 ( 0.451 6.140 0.000) 6.157 17.783 ( 1.446 -1.545 0.000) 2.116 17.860 ( 0.600 -4.089 0.000) 4.133 20.166 ( 16.840 0.691 0.000) 16.854 20.250 ( 19.453 -4.254 0.000) 19.913 21.776 ( -7.957 0.650 0.000) 7.983 21.828 ( -7.320 -1.886 0.000) 7.559 27.518 ( 1.666 -1.706 0.000) 2.385 27.633 ( 0.794 -6.938 0.000) 6.983 27.745 ( -1.775 -2.444 0.000) 3.021 27.780 ( -2.175 -4.077 0.000) 4.620 37.971 ( 10.886 7.824 0.000) 13.406 38.126 ( 10.544 0.247 0.000) 10.547 38.310 ( 4.664 1.345 0.000) 4.854 38.451 ( 8.230 -5.649 0.000) 9.982 39.018 ( -5.719 13.253 0.000) 14.434 39.731 ( -10.847 -21.493 0.000) 24.075 39.853 ( -16.553 16.088 0.000) 23.083 40.236 ( -26.060 -1.192 0.000) 26.087 ======================= Grid point 39 (24/120) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 8.475 8.340 0.000) 11.890 2.735 ( -1.110 -5.072 0.000) 5.192 2.882 ( -0.285 11.805 0.000) 11.808 3.052 ( -7.365 1.536 0.000) 7.524 3.267 ( 0.592 7.949 0.000) 7.971 3.563 ( 13.199 -0.229 0.000) 13.201 3.651 ( -5.227 14.259 0.000) 15.187 4.095 ( 4.481 -1.458 0.000) 4.712 4.116 ( 4.033 -0.457 0.000) 4.059 4.275 ( -2.382 11.144 0.000) 11.396 4.365 ( -1.580 -9.841 0.000) 9.967 4.566 ( -8.695 -8.188 0.000) 11.943 5.614 ( 4.274 21.151 0.000) 21.579 5.759 ( 0.082 28.933 0.000) 28.933 5.924 ( 6.555 8.367 0.000) 10.628 6.140 ( 2.241 8.963 0.000) 9.239 6.407 ( 6.859 -5.309 0.000) 8.673 6.469 ( 8.438 -6.876 0.000) 10.885 6.734 ( 8.538 -12.645 0.000) 15.258 6.760 ( 0.079 -19.021 0.000) 19.021 6.974 ( 8.238 1.998 0.000) 8.477 7.266 ( 18.662 -5.299 0.000) 19.399 7.916 ( 5.751 13.204 0.000) 14.402 8.033 ( -12.743 13.268 0.000) 18.396 8.233 ( -11.083 2.998 0.000) 11.481 8.354 ( 5.991 -4.753 0.000) 7.647 8.556 ( -7.001 6.173 0.000) 9.334 8.714 ( -0.747 -3.538 0.000) 3.616 9.035 ( 0.217 13.848 0.000) 13.849 9.122 ( -3.718 8.680 0.000) 9.443 9.179 ( -1.282 5.384 0.000) 5.534 9.420 ( -2.597 -7.691 0.000) 8.118 10.130 ( -0.927 8.945 0.000) 8.993 10.392 ( -8.192 8.785 0.000) 12.012 10.406 ( -3.297 -3.217 0.000) 4.606 10.628 ( -10.131 1.716 0.000) 10.275 17.151 ( 1.764 3.281 0.000) 3.725 17.280 ( -2.182 3.300 0.000) 3.956 17.383 ( -0.415 -5.706 0.000) 5.721 17.428 ( -1.169 -2.091 0.000) 2.396 17.700 ( 0.363 5.015 0.000) 5.028 17.704 ( 0.214 6.708 0.000) 6.712 17.816 ( 1.781 -2.349 0.000) 2.948 17.870 ( 0.280 -3.571 0.000) 3.582 20.534 ( 20.110 1.114 0.000) 20.141 20.652 ( 20.878 -5.559 0.000) 21.606 21.576 ( -12.442 0.796 0.000) 12.467 21.645 ( -11.341 -2.671 0.000) 11.651 27.556 ( 2.178 -1.993 0.000) 2.952 27.652 ( 1.099 -6.295 0.000) 6.390 27.702 ( -2.471 -2.642 0.000) 3.618 27.739 ( -1.931 -4.224 0.000) 4.645 38.236 ( 16.008 8.855 0.000) 18.293 38.381 ( 15.431 1.712 0.000) 15.526 38.420 ( 6.466 3.426 0.000) 7.317 38.646 ( 11.449 -7.912 0.000) 13.917 38.889 ( -7.276 10.579 0.000) 12.840 39.484 ( -20.566 12.311 0.000) 23.970 39.485 ( -13.843 -18.151 0.000) 22.827 39.695 ( -28.102 3.963 0.000) 28.380 ======================= Grid point 40 (25/120) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 8.441 4.125 0.000) 9.395 2.761 ( 4.258 -2.488 0.000) 4.931 2.782 ( -7.481 4.526 0.000) 8.744 2.896 ( -8.451 -1.329 0.000) 8.555 3.369 ( 8.058 16.239 0.000) 18.128 3.528 ( -7.458 16.796 0.000) 18.377 3.856 ( 15.777 1.449 0.000) 15.844 4.130 ( -9.527 1.231 0.000) 9.606 4.180 ( 3.391 -5.207 0.000) 6.214 4.198 ( 0.263 0.848 0.000) 0.888 4.348 ( 0.199 -4.089 0.000) 4.094 4.405 ( -6.133 -5.255 0.000) 8.076 5.687 ( 3.139 25.783 0.000) 25.974 5.737 ( -1.970 28.707 0.000) 28.774 6.051 ( 6.021 9.735 0.000) 11.446 6.140 ( -2.520 10.031 0.000) 10.343 6.524 ( 4.480 -7.678 0.000) 8.889 6.560 ( 1.206 -7.955 0.000) 8.045 6.764 ( 0.368 -19.262 0.000) 19.265 6.777 ( -0.798 -20.158 0.000) 20.173 7.310 ( 21.548 9.269 0.000) 23.457 7.639 ( 18.604 -2.974 0.000) 18.841 7.719 ( -19.110 10.241 0.000) 21.681 7.973 ( -15.230 1.507 0.000) 15.304 8.084 ( 11.257 10.572 0.000) 15.443 8.338 ( -13.635 6.207 0.000) 14.981 8.495 ( 8.028 -5.101 0.000) 9.512 8.642 ( -6.147 -3.205 0.000) 6.932 9.041 ( 0.537 13.053 0.000) 13.064 9.066 ( -2.239 9.643 0.000) 9.900 9.236 ( 5.814 2.696 0.000) 6.409 9.348 ( -4.867 -3.180 0.000) 5.814 10.154 ( 3.229 8.158 0.000) 8.774 10.248 ( -6.243 7.920 0.000) 10.085 10.378 ( 0.960 0.099 0.000) 0.965 10.456 ( -6.863 2.402 0.000) 7.271 17.192 ( 2.280 2.823 0.000) 3.628 17.237 ( -2.272 2.905 0.000) 3.688 17.384 ( 0.567 -4.268 0.000) 4.305 17.403 ( -1.259 -3.305 0.000) 3.536 17.705 ( 0.150 6.008 0.000) 6.009 17.706 ( 0.051 6.714 0.000) 6.714 17.848 ( 1.420 -2.991 0.000) 3.311 17.868 ( -0.563 -3.326 0.000) 3.373 20.929 ( 19.730 1.193 0.000) 19.766 21.046 ( 18.921 -5.136 0.000) 19.606 21.289 ( -16.740 1.020 0.000) 16.771 21.383 ( -15.381 -3.885 0.000) 15.864 27.602 ( 2.479 -2.287 0.000) 3.372 27.652 ( -2.624 -2.528 0.000) 3.644 27.676 ( 1.360 -5.555 0.000) 5.719 27.705 ( -1.614 -4.816 0.000) 5.079 38.557 ( 7.224 6.449 0.000) 9.684 38.575 ( 15.639 11.027 0.000) 19.135 38.727 ( 19.145 2.568 0.000) 19.317 38.756 ( -2.753 7.231 0.000) 7.737 38.877 ( 9.060 -8.615 0.000) 12.502 39.081 ( -17.543 6.994 0.000) 18.886 39.172 ( -24.212 5.250 0.000) 24.774 39.204 ( -14.314 -14.122 0.000) 20.107 ======================= Grid point 45 (26/120) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 0.000 -19.964 0.000) 19.964 2.528 ( 0.000 19.964 0.000) 19.964 2.939 ( 0.000 -10.203 0.000) 10.203 2.939 ( 0.000 10.203 0.000) 10.203 3.455 ( 0.000 -7.953 0.000) 7.953 3.455 ( 0.000 7.953 0.000) 7.953 3.937 ( 0.000 -2.962 0.000) 2.962 3.937 ( 0.000 2.962 0.000) 2.962 4.183 ( 0.000 -13.497 0.000) 13.497 4.183 ( 0.000 13.497 0.000) 13.497 4.552 ( 0.000 -12.987 0.000) 12.987 4.552 ( 0.000 12.987 0.000) 12.987 5.590 ( 0.000 -6.398 0.000) 6.398 5.590 ( 0.000 6.398 0.000) 6.398 5.735 ( 0.000 -9.778 0.000) 9.778 5.735 ( 0.000 9.778 0.000) 9.778 6.279 ( 0.000 -10.361 0.000) 10.361 6.279 ( 0.000 10.361 0.000) 10.361 6.393 ( 0.000 -16.315 0.000) 16.315 6.393 ( 0.000 16.315 0.000) 16.315 6.793 ( 0.000 -10.592 0.000) 10.592 6.793 ( 0.000 10.592 0.000) 10.592 8.123 ( 0.000 -8.744 0.000) 8.744 8.123 ( 0.000 8.744 0.000) 8.744 8.405 ( 0.000 -4.358 0.000) 4.358 8.405 ( 0.000 4.358 0.000) 4.358 8.724 ( 0.000 -5.966 0.000) 5.966 8.724 ( 0.000 5.966 0.000) 5.966 9.226 ( 0.000 -11.349 0.000) 11.349 9.226 ( 0.000 11.349 0.000) 11.349 9.468 ( 0.000 -3.230 0.000) 3.230 9.468 ( 0.000 3.230 0.000) 3.230 10.446 ( 0.000 -7.532 0.000) 7.532 10.446 ( 0.000 7.532 0.000) 7.532 10.916 ( 0.000 -9.020 0.000) 9.020 10.916 ( 0.000 9.020 0.000) 9.020 17.242 ( 0.000 -7.604 0.000) 7.604 17.242 ( 0.000 7.604 0.000) 7.604 17.433 ( 0.000 -2.840 0.000) 2.840 17.433 ( 0.000 2.840 0.000) 2.840 17.738 ( 0.000 -1.243 0.000) 1.243 17.738 ( 0.000 1.243 0.000) 1.243 17.774 ( 0.000 -3.455 0.000) 3.455 17.774 ( 0.000 3.455 0.000) 3.455 19.800 ( 0.000 -0.264 0.000) 0.264 19.800 ( 0.000 0.264 0.000) 0.264 21.943 ( 0.000 -1.021 0.000) 1.021 21.943 ( 0.000 1.021 0.000) 1.021 27.504 ( 0.000 -3.528 0.000) 3.528 27.504 ( 0.000 3.528 0.000) 3.528 27.774 ( 0.000 -1.361 0.000) 1.361 27.774 ( 0.000 1.361 0.000) 1.361 37.868 ( 0.000 -4.076 0.000) 4.076 37.868 ( 0.000 4.076 0.000) 4.076 38.230 ( 0.000 -1.774 0.000) 1.774 38.230 ( 0.000 1.774 0.000) 1.774 39.502 ( 0.000 -20.848 0.000) 20.848 39.502 ( 0.000 20.848 0.000) 20.848 40.565 ( 0.000 -15.866 0.000) 15.866 40.565 ( 0.000 15.866 0.000) 15.866 ======================= Grid point 47 (27/120) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 1.401 -17.724 0.000) 17.779 2.544 ( 1.401 17.724 0.000) 17.779 2.987 ( 4.688 -10.363 0.000) 11.374 2.987 ( 4.688 10.363 0.000) 11.374 3.422 ( -3.302 -6.466 0.000) 7.260 3.422 ( -3.302 6.466 0.000) 7.260 3.932 ( -0.268 -5.099 0.000) 5.106 3.932 ( -0.268 5.099 0.000) 5.106 4.168 ( -1.235 -12.720 0.000) 12.779 4.168 ( -1.235 12.720 0.000) 12.779 4.553 ( -0.149 -12.486 0.000) 12.487 4.553 ( -0.149 12.486 0.000) 12.487 5.644 ( 5.249 -7.257 0.000) 8.956 5.644 ( 5.249 7.257 0.000) 8.956 5.839 ( 9.889 -9.270 0.000) 13.555 5.839 ( 9.889 9.270 0.000) 13.555 6.300 ( 1.988 -11.108 0.000) 11.285 6.300 ( 1.988 11.108 0.000) 11.285 6.395 ( 0.321 -15.769 0.000) 15.773 6.395 ( 0.321 15.769 0.000) 15.773 6.802 ( 1.277 -8.530 0.000) 8.625 6.802 ( 1.277 8.530 0.000) 8.626 8.119 ( -0.243 -9.729 0.000) 9.732 8.119 ( -0.243 9.729 0.000) 9.732 8.413 ( 0.293 -2.786 0.000) 2.801 8.413 ( 0.293 2.786 0.000) 2.801 8.710 ( -1.201 -4.417 0.000) 4.577 8.710 ( -1.201 4.417 0.000) 4.577 9.232 ( 0.621 -11.035 0.000) 11.053 9.232 ( 0.621 11.035 0.000) 11.053 9.425 ( -4.168 -2.282 0.000) 4.752 9.425 ( -4.168 2.282 0.000) 4.752 10.419 ( -2.565 -7.750 0.000) 8.163 10.419 ( -2.565 7.750 0.000) 8.163 10.868 ( -4.723 -8.703 0.000) 9.902 10.868 ( -4.723 8.703 0.000) 9.902 17.239 ( -0.205 -7.579 0.000) 7.582 17.239 ( -0.205 7.579 0.000) 7.582 17.422 ( -1.113 -3.178 0.000) 3.367 17.422 ( -1.113 3.178 0.000) 3.367 17.742 ( 0.469 -1.520 0.000) 1.591 17.742 ( 0.469 1.520 0.000) 1.591 17.781 ( 0.690 -3.454 0.000) 3.522 17.781 ( 0.690 3.454 0.000) 3.522 19.907 ( 10.557 -0.648 0.000) 10.577 19.907 ( 10.557 0.648 0.000) 10.577 21.907 ( -3.728 -1.101 0.000) 3.887 21.907 ( -3.728 1.101 0.000) 3.887 27.511 ( 0.711 -3.402 0.000) 3.475 27.511 ( 0.711 3.402 0.000) 3.475 27.762 ( -1.234 -1.209 0.000) 1.728 27.762 ( -1.234 1.209 0.000) 1.728 37.923 ( 5.648 -4.047 0.000) 6.949 37.923 ( 5.648 4.047 0.000) 6.949 38.263 ( 3.311 -2.227 0.000) 3.990 38.263 ( 3.311 2.227 0.000) 3.990 39.458 ( -4.428 -20.139 0.000) 20.620 39.458 ( -4.428 20.139 0.000) 20.620 40.445 ( -11.997 -14.154 0.000) 18.554 40.445 ( -11.997 14.154 0.000) 18.554 ======================= Grid point 49 (28/120) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 1.520 -12.514 0.000) 12.606 2.573 ( 1.520 12.514 0.000) 12.606 3.091 ( 3.701 -9.649 0.000) 10.335 3.091 ( 3.701 9.649 0.000) 10.335 3.352 ( -1.714 -3.979 0.000) 4.332 3.352 ( -1.714 3.979 0.000) 4.332 3.935 ( 0.524 -9.105 0.000) 9.120 3.935 ( 0.524 9.105 0.000) 9.120 4.152 ( 0.011 -10.656 0.000) 10.656 4.152 ( 0.011 10.656 0.000) 10.656 4.532 ( -2.447 -10.241 0.000) 10.530 4.532 ( -2.447 10.241 0.000) 10.530 5.780 ( 8.200 -8.512 0.000) 11.820 5.780 ( 8.200 8.512 0.000) 11.820 6.075 ( 12.616 -10.181 0.000) 16.212 6.075 ( 12.616 10.181 0.000) 16.212 6.343 ( 1.756 -14.179 0.000) 14.287 6.343 ( 1.756 14.179 0.000) 14.287 6.407 ( 0.895 -14.096 0.000) 14.125 6.407 ( 0.895 14.096 0.000) 14.125 6.873 ( 7.132 -3.988 0.000) 8.171 6.873 ( 7.132 3.988 0.000) 8.171 8.125 ( 1.338 -11.312 0.000) 11.390 8.125 ( 1.338 11.312 0.000) 11.390 8.379 ( -4.902 -2.814 0.000) 5.652 8.379 ( -4.902 2.814 0.000) 5.652 8.688 ( -0.980 -1.184 0.000) 1.537 8.688 ( -0.980 1.184 0.000) 1.537 9.245 ( 0.582 -10.225 0.000) 10.242 9.245 ( 0.582 10.225 0.000) 10.242 9.320 ( -5.920 -1.032 0.000) 6.010 9.320 ( -5.920 1.032 0.000) 6.010 10.357 ( -3.300 -7.936 0.000) 8.595 10.357 ( -3.300 7.936 0.000) 8.595 10.741 ( -7.938 -7.950 0.000) 11.235 10.741 ( -7.938 7.950 0.000) 11.235 17.238 ( 0.171 -7.239 0.000) 7.241 17.238 ( 0.171 7.239 0.000) 7.241 17.392 ( -1.819 -3.786 0.000) 4.200 17.392 ( -1.819 3.786 0.000) 4.200 17.756 ( 0.934 -2.000 0.000) 2.207 17.756 ( 0.934 2.000 0.000) 2.207 17.797 ( 0.806 -3.561 0.000) 3.651 17.797 ( 0.806 3.561 0.000) 3.651 20.191 ( 17.715 -1.958 0.000) 17.823 20.191 ( 17.715 1.958 0.000) 17.823 21.795 ( -7.754 -1.326 0.000) 7.867 21.795 ( -7.754 1.326 0.000) 7.867 27.531 ( 1.311 -3.051 0.000) 3.321 27.531 ( 1.311 3.051 0.000) 3.321 27.729 ( -2.035 -0.941 0.000) 2.242 27.729 ( -2.035 0.941 0.000) 2.242 38.089 ( 11.210 -3.928 0.000) 11.878 38.089 ( 11.210 3.928 0.000) 11.878 38.358 ( 6.384 -3.555 0.000) 7.307 38.358 ( 6.384 3.555 0.000) 7.307 39.333 ( -8.080 -18.160 0.000) 19.876 39.333 ( -8.080 18.160 0.000) 19.876 40.118 ( -20.570 -10.102 0.000) 22.917 40.118 ( -20.570 10.102 0.000) 22.917 ======================= Grid point 51 (29/120) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 2.981 -7.078 0.000) 7.680 2.613 ( 2.981 7.078 0.000) 7.680 3.032 ( -8.109 -3.772 0.000) 8.943 3.032 ( -8.109 3.772 0.000) 8.943 3.454 ( 10.589 -9.331 0.000) 14.114 3.454 ( 10.589 9.331 0.000) 14.114 3.936 ( -1.047 -13.695 0.000) 13.735 3.936 ( -1.047 13.695 0.000) 13.735 4.174 ( 2.225 -8.254 0.000) 8.549 4.174 ( 2.225 8.254 0.000) 8.549 4.451 ( -5.623 -6.034 0.000) 8.247 4.451 ( -5.623 6.034 0.000) 8.247 5.950 ( 8.775 -9.684 0.000) 13.068 5.950 ( 8.775 9.684 0.000) 13.068 6.273 ( 5.609 -17.541 0.000) 18.416 6.273 ( 5.609 17.541 0.000) 18.416 6.354 ( 0.462 -16.695 0.000) 16.702 6.354 ( 0.462 16.695 0.000) 16.701 6.428 ( 1.109 -11.211 0.000) 11.265 6.428 ( 1.109 11.211 0.000) 11.265 7.113 ( 17.052 -8.734 0.000) 19.158 7.113 ( 17.052 8.734 0.000) 19.158 8.185 ( 5.037 -11.954 0.000) 12.972 8.185 ( 5.037 11.954 0.000) 12.972 8.204 ( -12.768 -5.297 0.000) 13.823 8.204 ( -12.768 5.297 0.000) 13.823 8.646 ( -4.341 -3.831 0.000) 5.789 8.646 ( -4.341 3.831 0.000) 5.789 9.226 ( -2.865 -1.414 0.000) 3.195 9.226 ( -2.865 1.414 0.000) 3.195 9.250 ( -0.185 -9.152 0.000) 9.154 9.250 ( -0.185 9.152 0.000) 9.154 10.309 ( -1.232 -7.373 0.000) 7.475 10.309 ( -1.232 7.373 0.000) 7.475 10.574 ( -8.680 -7.109 0.000) 11.220 10.574 ( -8.680 7.109 0.000) 11.220 17.249 ( 0.954 -6.430 0.000) 6.500 17.249 ( 0.954 6.430 0.000) 6.500 17.353 ( -2.110 -4.271 0.000) 4.764 17.353 ( -2.110 4.271 0.000) 4.764 17.777 ( 1.122 -2.546 0.000) 2.783 17.777 ( 1.122 2.546 0.000) 2.783 17.809 ( 0.360 -3.701 0.000) 3.719 17.809 ( 0.360 3.701 0.000) 3.719 20.572 ( 20.455 -2.804 0.000) 20.646 20.572 ( 20.455 2.804 0.000) 20.646 21.601 ( -12.101 -1.729 0.000) 12.224 21.601 ( -12.101 1.729 0.000) 12.224 27.561 ( 1.748 -2.551 0.000) 3.092 27.561 ( 1.748 2.551 0.000) 3.092 27.686 ( -2.311 -1.000 0.000) 2.518 27.686 ( -2.311 1.000 0.000) 2.518 38.360 ( 16.397 -3.657 0.000) 16.800 38.360 ( 16.397 3.657 0.000) 16.800 38.509 ( 8.909 -5.658 0.000) 10.554 38.509 ( 8.909 5.658 0.000) 10.554 39.150 ( -10.327 -15.286 0.000) 18.447 39.150 ( -10.327 15.286 0.000) 18.447 39.671 ( -24.354 -5.859 0.000) 25.048 39.671 ( -24.354 5.859 0.000) 25.048 ======================= Grid point 53 (30/120) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 6.248 -3.426 0.000) 7.125 2.702 ( 6.248 3.426 0.000) 7.125 2.855 ( -9.011 -2.870 0.000) 9.457 2.855 ( -9.011 2.870 0.000) 9.457 3.683 ( 11.508 -14.558 0.000) 18.557 3.683 ( 11.508 14.558 0.000) 18.557 3.867 ( -6.581 -16.943 0.000) 18.176 3.867 ( -6.581 16.943 0.000) 18.176 4.235 ( 3.993 -6.564 0.000) 7.683 4.235 ( 3.993 6.564 0.000) 7.683 4.332 ( -5.857 -5.238 0.000) 7.857 4.332 ( -5.857 5.238 0.000) 7.857 6.113 ( 7.722 -11.981 0.000) 14.254 6.113 ( 7.722 11.981 0.000) 14.254 6.244 ( -5.298 -15.591 0.000) 16.466 6.244 ( -5.298 15.591 0.000) 16.466 6.415 ( 2.943 -5.270 0.000) 6.037 6.415 ( 2.943 5.271 0.000) 6.037 6.442 ( -0.033 -7.454 0.000) 7.454 6.442 ( -0.033 7.454 0.000) 7.454 7.497 ( 20.930 -9.224 0.000) 22.873 7.497 ( 20.930 9.224 0.000) 22.873 7.892 ( -18.646 -7.412 0.000) 20.065 7.892 ( -18.646 7.412 0.000) 20.065 8.324 ( 8.810 -11.378 0.000) 14.390 8.324 ( 8.810 11.378 0.000) 14.390 8.508 ( -9.136 -8.985 0.000) 12.814 8.508 ( -9.136 8.985 0.000) 12.814 9.212 ( 0.882 -4.870 0.000) 4.949 9.212 ( 0.882 4.870 0.000) 4.949 9.237 ( -1.167 -7.632 0.000) 7.721 9.237 ( -1.167 7.632 0.000) 7.721 10.323 ( 2.836 -6.497 0.000) 7.089 10.323 ( 2.836 6.497 0.000) 7.089 10.418 ( -6.745 -6.456 0.000) 9.337 10.418 ( -6.745 6.456 0.000) 9.337 17.275 ( 1.668 -5.471 0.000) 5.720 17.275 ( 1.668 5.471 0.000) 5.720 17.312 ( -2.062 -4.742 0.000) 5.171 17.312 ( -2.062 4.742 0.000) 5.171 17.797 ( 0.890 -3.154 0.000) 3.277 17.797 ( 0.890 3.154 0.000) 3.277 17.809 ( -0.318 -3.596 0.000) 3.610 17.809 ( -0.318 3.596 0.000) 3.610 20.968 ( 19.547 -2.818 0.000) 19.749 20.968 ( 19.547 2.818 0.000) 19.749 21.322 ( -16.336 -2.309 0.000) 16.498 21.322 ( -16.336 2.309 0.000) 16.498 27.598 ( 2.047 -1.988 0.000) 2.854 27.598 ( 2.047 1.988 0.000) 2.854 27.641 ( -2.252 -1.434 0.000) 2.670 27.641 ( -2.252 1.434 0.000) 2.670 38.700 ( 10.143 -8.138 0.000) 13.004 38.700 ( 10.143 8.138 0.000) 13.004 38.716 ( 18.261 -3.089 0.000) 18.520 38.716 ( 18.261 3.089 0.000) 18.520 38.949 ( -8.458 -11.374 0.000) 14.174 38.949 ( -8.458 11.374 0.000) 14.174 39.194 ( -23.564 -2.901 0.000) 23.742 39.194 ( -23.564 2.901 0.000) 23.742 ======================= Grid point 99 (31/120) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 0.000 26.970) 26.970 0.692 ( 0.000 0.000 33.095) 33.095 1.128 ( 0.000 0.000 54.619) 54.619 2.817 ( 0.000 0.000 -17.851) 17.851 3.002 ( 0.000 0.000 -17.619) 17.619 3.165 ( 0.000 0.000 2.276) 2.276 3.268 ( 0.000 0.000 5.577) 5.577 3.547 ( 0.000 0.000 4.783) 4.783 3.598 ( 0.000 0.000 7.855) 7.855 3.615 ( 0.000 0.000 -1.435) 1.435 4.350 ( 0.000 0.000 -6.041) 6.041 4.375 ( 0.000 0.000 8.474) 8.474 4.979 ( 0.000 0.000 -18.019) 18.019 5.114 ( 0.000 0.000 11.804) 11.804 5.627 ( 0.000 0.000 -9.595) 9.595 5.757 ( 0.000 0.000 9.514) 9.514 5.802 ( 0.000 0.000 10.751) 10.751 5.891 ( 0.000 0.000 11.644) 11.644 6.245 ( 0.000 0.000 6.712) 6.712 6.574 ( 0.000 0.000 -9.095) 9.095 6.577 ( 0.000 0.000 -9.737) 9.737 6.673 ( 0.000 0.000 -1.875) 1.875 6.876 ( 0.000 0.000 -0.791) 0.791 7.068 ( 0.000 0.000 -2.943) 2.943 7.403 ( 0.000 0.000 7.699) 7.699 7.423 ( 0.000 0.000 -11.357) 11.357 8.005 ( 0.000 0.000 2.104) 2.104 8.115 ( 0.000 0.000 -17.918) 17.918 8.883 ( 0.000 0.000 7.157) 7.157 9.100 ( 0.000 0.000 12.119) 12.119 9.751 ( 0.000 0.000 -6.086) 6.086 10.177 ( 0.000 0.000 -6.053) 6.053 10.338 ( 0.000 0.000 7.073) 7.073 10.713 ( 0.000 0.000 3.329) 3.329 10.727 ( 0.000 0.000 -0.726) 0.726 11.468 ( 0.000 0.000 -5.832) 5.832 16.584 ( 0.000 0.000 3.011) 3.011 16.923 ( 0.000 0.000 -2.374) 2.374 17.073 ( 0.000 0.000 3.374) 3.374 17.288 ( 0.000 0.000 7.109) 7.109 17.481 ( 0.000 0.000 -2.919) 2.919 17.986 ( 0.000 0.000 2.803) 2.803 18.263 ( 0.000 0.000 -8.135) 8.135 18.390 ( 0.000 0.000 -2.210) 2.210 19.790 ( 0.000 0.000 0.214) 0.214 19.817 ( 0.000 0.000 -0.183) 0.183 21.932 ( 0.000 0.000 0.705) 0.705 22.040 ( 0.000 0.000 -0.906) 0.906 27.846 ( 0.000 0.000 2.001) 2.001 28.038 ( 0.000 0.000 1.174) 1.174 28.124 ( 0.000 0.000 -2.083) 2.083 28.179 ( 0.000 0.000 -0.905) 0.905 37.255 ( 0.000 0.000 2.656) 2.656 37.633 ( 0.000 0.000 -3.006) 3.006 38.187 ( 0.000 0.000 1.297) 1.297 38.333 ( 0.000 0.000 -0.965) 0.965 38.588 ( 0.000 0.000 2.348) 2.348 38.865 ( 0.000 0.000 -1.716) 1.716 41.449 ( 0.000 0.000 1.704) 1.704 41.671 ( 0.000 0.000 -1.550) 1.550 ======================= Grid point 100 (32/120) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 16.886 0.000 19.531) 25.819 0.794 ( 16.254 0.000 20.312) 26.015 1.554 ( 33.907 0.000 40.141) 52.545 2.810 ( -0.742 0.000 -16.223) 16.240 2.939 ( -5.960 0.000 -16.323) 17.377 3.100 ( -5.987 0.000 2.652) 6.548 3.274 ( -0.459 0.000 1.318) 1.396 3.317 ( -13.131 0.000 5.849) 14.375 3.601 ( 0.716 0.000 10.629) 10.653 3.776 ( 6.901 0.000 -6.392) 9.407 4.289 ( -5.324 0.000 -2.357) 5.822 4.302 ( -4.646 0.000 9.024) 10.149 5.133 ( 9.690 0.000 -20.704) 22.860 5.199 ( 7.627 0.000 9.837) 12.447 5.554 ( -7.434 0.000 -8.066) 10.969 5.725 ( -0.009 0.000 10.187) 10.187 5.889 ( -0.816 0.000 12.004) 12.031 5.925 ( 8.659 0.000 8.901) 12.418 6.114 ( -12.656 0.000 21.291) 24.769 6.272 ( 2.668 0.000 6.087) 6.646 6.611 ( 3.857 0.000 -9.110) 9.893 6.918 ( 4.720 0.000 -0.776) 4.783 7.074 ( 9.760 0.000 -21.125) 23.271 7.114 ( 4.707 0.000 -2.969) 5.565 7.441 ( 2.092 0.000 -10.297) 10.507 7.711 ( 15.761 0.000 -4.120) 16.291 8.079 ( -3.653 0.000 -17.678) 18.051 8.099 ( 12.593 0.000 -2.455) 12.830 8.820 ( -6.301 0.000 7.032) 9.442 9.074 ( -2.474 0.000 12.027) 12.279 9.675 ( -7.697 0.000 -6.019) 9.771 10.100 ( -7.394 0.000 -4.786) 8.808 10.323 ( -1.517 0.000 6.639) 6.810 10.594 ( -10.351 0.000 7.330) 12.683 10.735 ( -0.733 0.000 0.715) 1.023 11.088 ( -19.495 0.000 12.313) 23.058 16.598 ( 1.476 0.000 3.000) 3.343 16.937 ( 1.456 0.000 -2.393) 2.801 17.060 ( -1.329 0.000 3.360) 3.614 17.296 ( 1.202 0.000 6.690) 6.797 17.464 ( -1.765 0.000 -2.887) 3.384 17.799 ( -7.703 0.000 9.318) 12.089 18.263 ( -0.014 0.000 -7.807) 7.807 18.377 ( -1.412 0.000 -2.991) 3.307 19.917 ( 9.972 0.000 0.368) 9.979 20.555 ( 42.600 0.000 -38.814) 57.631 21.895 ( -3.752 0.000 0.723) 3.821 22.014 ( -2.646 0.000 -1.030) 2.839 27.857 ( 1.058 0.000 1.896) 2.171 28.062 ( 1.501 0.000 -1.354) 2.022 28.121 ( -0.333 0.000 -1.922) 1.951 28.161 ( -1.581 0.000 -1.013) 1.878 37.277 ( 2.279 0.000 2.645) 3.491 37.654 ( 2.138 0.000 -3.016) 3.697 38.149 ( -3.717 0.000 1.474) 3.999 38.316 ( -1.720 0.000 -1.118) 2.051 38.652 ( 6.526 0.000 1.963) 6.815 38.863 ( -0.131 0.000 -1.123) 1.130 40.414 ( -72.776 0.000 67.813) 99.474 41.335 ( -12.038 0.000 1.318) 12.110 ======================= Grid point 101 (33/120) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 21.636 0.000 11.861) 24.674 1.254 ( 27.356 0.000 0.188) 27.357 2.276 ( 37.416 0.000 25.383) 45.213 2.786 ( -2.060 0.000 -10.341) 10.544 2.811 ( -5.190 0.000 -10.799) 11.981 2.953 ( -8.303 0.000 -0.813) 8.343 3.069 ( -12.620 0.000 2.508) 12.867 3.219 ( -5.282 0.000 -3.960) 6.601 3.642 ( 3.522 0.000 14.912) 15.323 3.745 ( -10.822 0.000 -11.200) 15.574 4.173 ( -6.026 0.000 3.765) 7.106 4.342 ( 9.783 0.000 8.281) 12.817 5.231 ( -3.310 0.000 -16.584) 16.911 5.364 ( -8.697 0.000 -5.636) 10.363 5.368 ( 8.909 0.000 7.737) 11.800 5.755 ( 2.274 0.000 9.481) 9.750 5.860 ( -0.948 0.000 16.982) 17.009 6.022 ( -0.434 0.000 19.100) 19.105 6.094 ( 7.888 0.000 6.632) 10.306 6.337 ( 3.432 0.000 4.586) 5.728 6.729 ( 8.214 0.000 -9.309) 12.415 7.078 ( 11.561 0.000 -0.809) 11.589 7.216 ( 6.127 0.000 -16.018) 17.150 7.257 ( 10.162 0.000 -2.717) 10.519 7.496 ( 3.043 0.000 -9.340) 9.823 7.832 ( 2.295 0.000 4.934) 5.442 7.979 ( -6.145 0.000 -16.890) 17.973 8.387 ( 11.026 0.000 -3.755) 11.648 8.641 ( -11.821 0.000 6.634) 13.555 9.029 ( -0.847 0.000 10.585) 10.619 9.453 ( -14.806 0.000 -5.819) 15.908 9.916 ( -10.703 0.000 -2.709) 11.040 10.286 ( -1.857 0.000 4.802) 5.149 10.421 ( -5.230 0.000 7.204) 8.902 10.699 ( -2.873 0.000 -0.628) 2.941 10.869 ( -6.538 0.000 3.144) 7.255 16.640 ( 2.751 0.000 2.969) 4.048 16.970 ( 1.044 0.000 -1.506) 1.833 17.031 ( -0.785 0.000 2.382) 2.508 17.339 ( 3.042 0.000 5.637) 6.406 17.414 ( -3.275 0.000 -2.794) 4.305 17.711 ( -2.837 0.000 5.673) 6.343 18.263 ( 0.009 0.000 -7.002) 7.002 18.344 ( -1.691 0.000 -4.534) 4.839 20.186 ( 16.895 0.000 1.408) 16.954 21.117 ( 18.290 0.000 -28.605) 33.952 21.783 ( -7.832 0.000 0.807) 7.873 21.940 ( -4.805 0.000 -1.542) 5.047 27.887 ( 1.962 0.000 1.553) 2.502 28.077 ( 0.108 0.000 -1.779) 1.783 28.108 ( -1.044 0.000 -1.546) 1.865 28.130 ( -1.403 0.000 -1.584) 2.116 37.343 ( 4.422 0.000 2.603) 5.131 37.715 ( 3.973 0.000 -3.062) 5.016 38.049 ( -6.270 0.000 1.907) 6.554 38.264 ( -3.687 0.000 -1.453) 3.963 38.841 ( 12.279 0.000 0.974) 12.318 38.862 ( 0.491 0.000 0.692) 0.848 39.478 ( -27.910 0.000 51.995) 59.012 41.006 ( -20.834 0.000 -0.659) 20.844 ======================= Grid point 102 (34/120) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 22.210 0.000 7.428) 23.419 1.787 ( 25.843 0.000 -6.993) 26.773 2.660 ( -12.015 0.000 2.807) 12.339 2.668 ( 1.019 0.000 -12.143) 12.185 2.815 ( -13.033 0.000 -1.492) 13.118 2.850 ( -1.006 0.000 -11.714) 11.757 3.087 ( -7.338 0.000 -5.180) 8.982 3.090 ( 34.952 0.000 19.494) 40.021 3.449 ( -17.050 0.000 -8.859) 19.215 3.730 ( 5.222 0.000 15.637) 16.486 4.059 ( -5.699 0.000 8.713) 10.412 4.599 ( 14.779 0.000 2.927) 15.066 4.934 ( -21.878 0.000 -2.514) 22.022 5.279 ( -4.939 0.000 -9.931) 11.092 5.531 ( 7.577 0.000 7.128) 10.403 5.784 ( 0.119 0.000 8.544) 8.545 5.874 ( 2.197 0.000 18.768) 18.896 6.019 ( -0.501 0.000 17.125) 17.132 6.229 ( 6.034 0.000 4.049) 7.267 6.388 ( 1.448 0.000 2.963) 3.297 6.930 ( 12.019 0.000 -9.932) 15.592 7.323 ( 4.784 0.000 -13.219) 14.058 7.334 ( 13.168 0.000 -0.827) 13.194 7.494 ( 10.763 0.000 -3.769) 11.404 7.527 ( -0.550 0.000 -9.405) 9.422 7.891 ( 1.141 0.000 -13.652) 13.700 7.915 ( 7.108 0.000 10.463) 12.649 8.368 ( -15.617 0.000 5.903) 16.695 8.454 ( -3.627 0.000 5.056) 6.222 9.089 ( 7.057 0.000 5.963) 9.239 9.103 ( -20.666 0.000 -5.505) 21.387 9.698 ( -11.314 0.000 -0.747) 11.339 10.274 ( 0.877 0.000 1.208) 1.492 10.377 ( -0.230 0.000 1.254) 1.275 10.632 ( -3.444 0.000 -2.067) 4.016 10.759 ( -5.292 0.000 -1.310) 5.452 16.704 ( 3.675 0.000 2.927) 4.698 16.938 ( -3.352 0.000 2.283) 4.055 17.069 ( 3.758 0.000 -1.544) 4.062 17.338 ( -4.331 0.000 -2.648) 5.076 17.411 ( 4.191 0.000 4.803) 6.374 17.656 ( -3.105 0.000 4.031) 5.088 18.265 ( 0.309 0.000 -6.291) 6.299 18.315 ( -1.263 0.000 -5.785) 5.921 20.553 ( 19.904 0.000 1.976) 20.002 21.382 ( 10.314 0.000 -16.380) 19.357 21.585 ( -12.332 0.000 1.061) 12.378 21.831 ( -6.131 0.000 -2.764) 6.725 27.932 ( 2.563 0.000 0.914) 2.721 28.074 ( -0.292 0.000 -1.578) 1.605 28.079 ( -1.759 0.000 -1.341) 2.212 28.106 ( -1.091 0.000 -1.056) 1.519 37.448 ( 6.259 0.000 2.495) 6.738 37.801 ( 4.022 0.000 -3.165) 5.118 37.916 ( -6.326 0.000 2.469) 6.790 38.174 ( -5.328 0.000 -1.794) 5.622 38.868 ( 0.792 0.000 3.962) 4.040 39.093 ( -2.036 0.000 19.746) 19.851 39.180 ( 9.322 0.000 9.740) 13.482 40.548 ( -25.241 0.000 -2.213) 25.338 ======================= Grid point 103 (35/120) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 20.860 0.000 4.765) 21.397 2.230 ( 18.768 0.000 -8.119) 20.449 2.361 ( -17.756 0.000 3.554) 18.108 2.537 ( -13.713 0.000 -6.069) 14.996 2.779 ( 10.321 0.000 -9.461) 14.002 2.873 ( 2.829 0.000 -9.224) 9.648 2.956 ( -5.647 0.000 -6.316) 8.472 3.075 ( -18.072 0.000 -9.233) 20.294 3.806 ( 34.374 0.000 12.595) 36.609 3.838 ( 5.632 0.000 14.443) 15.502 3.948 ( -5.639 0.000 12.160) 13.404 4.431 ( -29.060 0.000 5.115) 29.507 4.887 ( 13.871 0.000 -1.565) 13.959 5.127 ( -10.358 0.000 -5.781) 11.862 5.662 ( 5.728 0.000 7.333) 9.305 5.752 ( -3.283 0.000 7.840) 8.500 5.932 ( 3.372 0.000 17.989) 18.303 5.991 ( -2.376 0.000 17.142) 17.306 6.330 ( 4.212 0.000 2.244) 4.773 6.387 ( -1.503 0.000 1.963) 2.472 7.181 ( 13.015 0.000 -10.909) 16.983 7.407 ( -8.377 0.000 -10.367) 13.329 7.409 ( 4.099 0.000 -10.883) 11.629 7.483 ( -3.375 0.000 -9.471) 10.054 7.691 ( 15.284 0.000 1.452) 15.353 8.009 ( -13.461 0.000 2.036) 13.614 8.097 ( 10.718 0.000 11.388) 15.638 8.197 ( 18.699 0.000 -3.917) 19.105 8.307 ( -10.028 0.000 9.767) 13.998 8.658 ( -24.230 0.000 -5.167) 24.774 9.268 ( 10.338 0.000 2.895) 10.736 9.478 ( -11.018 0.000 1.103) 11.073 10.315 ( 2.960 0.000 -0.718) 3.046 10.368 ( -1.708 0.000 -1.144) 2.056 10.598 ( 0.845 0.000 -3.333) 3.439 10.659 ( -4.641 0.000 -3.313) 5.702 16.781 ( 4.158 0.000 2.872) 5.053 16.863 ( -4.129 0.000 2.761) 4.967 17.154 ( 4.684 0.000 -2.182) 5.167 17.248 ( -4.816 0.000 -2.453) 5.405 17.498 ( 4.584 0.000 4.129) 6.169 17.585 ( -4.145 0.000 3.744) 5.585 18.276 ( 0.755 0.000 -6.138) 6.184 18.293 ( -1.001 0.000 -6.185) 6.266 20.943 ( 19.481 0.000 1.897) 19.573 21.300 ( -16.582 0.000 1.433) 16.644 21.557 ( 7.932 0.000 -9.208) 12.153 21.703 ( -6.972 0.000 -5.121) 8.650 27.984 ( 2.745 0.000 -0.045) 2.745 28.036 ( -2.465 0.000 -1.190) 2.737 28.076 ( 0.302 0.000 -0.769) 0.826 28.087 ( -0.826 0.000 -0.720) 1.096 37.585 ( 7.548 0.000 2.256) 7.878 37.737 ( -7.729 0.000 1.559) 7.884 37.939 ( 5.837 0.000 -1.786) 6.104 38.060 ( -6.199 0.000 -2.017) 6.519 38.897 ( 2.277 0.000 9.032) 9.314 38.965 ( -4.995 0.000 16.839) 17.564 39.565 ( 22.911 0.000 -1.764) 22.979 40.044 ( -25.588 0.000 -2.598) 25.720 ======================= Grid point 108 (36/120) ======================= q-point: ( 0.00 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 0.000 15.912 26.055) 30.530 1.024 ( 0.000 24.700 22.360) 33.318 1.637 ( 0.000 48.210 29.294) 56.412 2.923 ( 0.000 5.820 -12.688) 13.959 3.005 ( 0.000 1.309 -15.798) 15.852 3.260 ( 0.000 12.135 -1.422) 12.218 3.276 ( 0.000 -2.396 -0.881) 2.553 3.523 ( 0.000 4.092 -2.300) 4.694 3.645 ( 0.000 2.351 -1.650) 2.872 3.848 ( 0.000 18.696 9.838) 21.127 4.327 ( 0.000 -4.411 7.599) 8.786 4.438 ( 0.000 8.241 -5.838) 10.100 4.925 ( 0.000 -4.948 -17.218) 17.915 5.446 ( 0.000 27.413 8.963) 28.841 5.523 ( 0.000 -9.173 -9.614) 13.288 5.835 ( 0.000 4.764 14.371) 15.140 5.872 ( 0.000 5.897 10.310) 11.878 5.989 ( 0.000 9.531 16.516) 19.068 6.118 ( 0.000 -13.392 13.951) 19.338 6.337 ( 0.000 8.722 6.927) 11.138 6.509 ( 0.000 -5.221 -10.061) 11.335 6.835 ( 0.000 23.971 -7.447) 25.101 7.248 ( 0.000 15.753 -3.197) 16.074 7.344 ( 0.000 4.434 -1.761) 4.771 7.403 ( 0.000 -1.440 -10.461) 10.560 7.778 ( 0.000 28.871 -18.482) 34.280 7.923 ( 0.000 -7.617 2.511) 8.020 8.188 ( 0.000 7.134 -16.300) 17.792 8.916 ( 0.000 2.213 6.600) 6.961 9.103 ( 0.000 0.446 11.661) 11.670 9.704 ( 0.000 -4.481 -6.073) 7.547 10.134 ( 0.000 -4.641 -4.943) 6.780 10.254 ( 0.000 -7.283 5.710) 9.254 10.682 ( 0.000 -2.840 3.217) 4.291 10.699 ( 0.000 -1.931 -5.105) 5.458 11.248 ( 0.000 -12.229 1.161) 12.284 16.709 ( 0.000 11.870 3.497) 12.374 17.044 ( 0.000 6.163 1.652) 6.381 17.138 ( 0.000 0.982 2.633) 2.810 17.269 ( 0.000 5.192 1.103) 5.308 17.500 ( 0.000 1.827 -2.761) 3.311 17.833 ( 0.000 -8.814 9.203) 12.743 18.199 ( 0.000 -6.678 -8.217) 10.589 18.314 ( 0.000 -6.928 -2.209) 7.272 19.790 ( 0.000 0.041 0.206) 0.210 19.816 ( 0.000 -0.079 -0.174) 0.191 21.930 ( 0.000 -0.128 0.673) 0.685 22.033 ( 0.000 -0.662 -0.826) 1.059 27.803 ( 0.000 -4.175 2.002) 4.630 28.010 ( 0.000 -2.709 1.117) 2.931 28.076 ( 0.000 -4.687 -2.008) 5.099 28.145 ( 0.000 -3.335 -0.879) 3.449 37.309 ( 0.000 5.279 2.673) 5.917 37.688 ( 0.000 4.803 -2.481) 5.406 38.325 ( 0.000 -0.925 -0.107) 0.931 38.443 ( 0.000 13.394 -11.350) 17.557 38.571 ( 0.000 -1.092 2.442) 2.675 38.977 ( 0.000 10.940 -3.089) 11.367 41.322 ( 0.000 -12.277 2.081) 12.452 41.408 ( 0.000 -15.200 9.642) 18.000 ======================= Grid point 109 (37/120) ======================= q-point: ( 0.11 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 13.378 16.306 14.520) 25.606 1.216 ( 14.440 27.053 15.920) 34.552 1.874 ( 22.861 34.652 28.648) 50.439 2.880 ( -3.886 3.340 -11.712) 12.783 2.981 ( -2.555 3.107 -12.725) 13.346 3.143 ( -7.179 5.102 -1.335) 8.908 3.292 ( -2.972 8.926 -1.872) 9.592 3.470 ( -4.622 5.279 -0.838) 7.066 3.623 ( -1.931 3.643 0.578) 4.163 3.894 ( 4.784 12.545 4.919) 14.299 4.260 ( -4.942 -1.881 6.223) 8.167 4.408 ( -2.255 9.429 -1.166) 9.765 5.062 ( 9.297 -5.831 -18.838) 21.802 5.463 ( -5.970 -7.660 -8.204) 12.713 5.523 ( 6.788 25.700 7.257) 27.554 5.831 ( 1.083 7.503 13.391) 15.388 5.908 ( 1.427 1.710 13.044) 13.233 6.004 ( 0.950 5.476 19.636) 20.407 6.119 ( 3.156 5.200 6.072) 8.594 6.354 ( 1.926 8.558 5.889) 10.566 6.614 ( 8.966 -11.126 -5.307) 15.243 6.858 ( 2.539 23.002 -7.393) 24.294 7.233 ( 2.084 10.428 -2.419) 10.906 7.343 ( -1.795 5.570 -9.368) 11.046 7.505 ( 8.091 6.238 -8.259) 13.137 7.772 ( -0.370 2.417 -2.845) 3.751 8.110 ( 15.127 3.753 -7.276) 17.201 8.151 ( -3.606 7.103 -16.097) 17.960 8.858 ( -5.756 2.630 6.393) 8.995 9.075 ( -2.668 0.361 11.506) 11.817 9.630 ( -7.429 -4.303 -5.943) 10.442 10.060 ( -7.102 -4.224 -3.907) 9.140 10.242 ( -1.168 -7.124 5.182) 8.886 10.599 ( -8.236 0.647 -1.043) 8.327 10.691 ( -1.232 -3.945 0.624) 4.179 11.033 ( -14.128 -3.966 7.447) 16.456 16.719 ( 1.023 11.421 3.426) 11.968 17.039 ( -0.062 6.435 0.720) 6.476 17.112 ( -2.074 3.182 2.895) 4.776 17.277 ( 1.215 1.961 3.331) 4.052 17.485 ( -1.570 2.001 -2.782) 3.769 17.751 ( -4.580 -3.837 8.244) 10.181 18.202 ( 0.252 -6.385 -7.980) 10.223 18.301 ( -1.188 -6.807 -2.771) 7.445 19.914 ( 9.877 -0.246 0.320) 9.885 20.299 ( 36.493 -16.532 -16.226) 43.224 21.894 ( -3.770 -0.146 0.690) 3.835 22.006 ( -2.742 -0.752 -0.960) 3.001 27.813 ( 1.038 -4.192 1.905) 4.720 28.021 ( 0.814 -3.562 0.032) 3.654 28.073 ( -0.253 -4.629 -1.865) 4.997 28.125 ( -1.814 -3.380 -0.819) 3.922 37.335 ( 2.652 5.626 2.641) 6.757 37.711 ( 2.326 5.061 -2.522) 6.115 38.305 ( -2.127 1.204 -0.577) 2.512 38.426 ( -1.960 13.988 -10.960) 17.878 38.629 ( 6.112 -2.087 2.291) 6.853 38.960 ( -1.592 9.660 -2.477) 10.099 40.586 ( -59.980 12.457 39.009) 72.625 41.212 ( -11.503 -11.826 1.687) 16.584 ======================= Grid point 110 (38/120) ======================= q-point: ( 0.22 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 22.480 11.570 1.175) 25.311 1.531 ( 17.834 26.776 8.617) 33.305 2.422 ( 29.143 16.186 18.774) 38.259 2.809 ( -1.280 3.624 -6.096) 7.206 2.898 ( -6.090 2.636 -5.300) 8.492 2.999 ( -7.453 6.211 -2.932) 10.135 3.181 ( -7.012 13.277 -5.797) 16.095 3.356 ( -6.677 10.217 -1.329) 12.278 3.569 ( -4.862 -3.224 0.581) 5.863 3.955 ( 0.217 16.764 1.429) 16.826 4.200 ( -1.041 1.368 4.437) 4.758 4.410 ( 4.455 8.035 6.790) 11.424 5.162 ( -2.185 -5.988 -16.011) 17.233 5.304 ( -7.763 -5.616 -5.770) 11.184 5.671 ( 7.284 21.619 6.870) 23.826 5.871 ( 2.450 9.653 16.390) 19.179 5.944 ( 3.204 6.472 10.627) 12.848 6.030 ( 1.617 7.532 15.760) 17.542 6.228 ( 6.264 11.903 5.364) 14.480 6.411 ( 3.662 6.782 4.516) 8.933 6.835 ( 13.392 -11.483 -2.989) 17.892 6.941 ( 6.197 19.525 -7.115) 21.685 7.322 ( 0.344 0.831 -10.095) 10.135 7.356 ( 10.184 9.792 -2.757) 14.395 7.609 ( 1.119 7.006 -9.199) 11.618 7.807 ( 5.169 0.268 4.247) 6.696 8.049 ( -6.116 6.590 -14.916) 17.416 8.360 ( 6.777 -1.180 -2.698) 7.389 8.710 ( -8.145 5.161 5.238) 10.973 9.021 ( -1.729 -0.626 10.115) 10.281 9.418 ( -14.134 -3.501 -5.501) 15.566 9.885 ( -10.078 -3.144 -2.562) 10.863 10.216 ( -1.140 -6.449 3.505) 7.428 10.424 ( -7.307 1.099 1.280) 7.500 10.647 ( -3.232 -4.790 -0.057) 5.779 10.837 ( -7.022 -2.989 3.005) 8.202 16.749 ( 1.988 10.235 3.219) 10.912 17.043 ( -0.774 5.313 0.327) 5.379 17.080 ( 0.087 4.884 1.872) 5.231 17.320 ( 3.029 -0.382 4.429) 5.379 17.440 ( -2.966 2.454 -2.698) 4.701 17.688 ( -2.477 -2.118 5.242) 6.173 18.208 ( 0.337 -5.702 -7.300) 9.269 18.274 ( -1.397 -6.416 -4.009) 7.693 20.182 ( 16.837 -0.396 1.261) 16.889 20.892 ( 23.166 -18.119 -18.486) 34.737 21.781 ( -7.855 -0.188 0.765) 7.894 21.928 ( -5.132 -1.135 -1.438) 5.449 27.842 ( 1.910 -4.252 1.595) 4.927 28.032 ( 0.208 -4.242 -1.094) 4.386 28.066 ( -0.568 -4.325 -1.468) 4.602 28.085 ( -2.085 -3.840 -0.844) 4.451 37.412 ( 5.192 6.685 2.512) 8.829 37.778 ( 4.422 5.788 -2.678) 7.761 38.234 ( -5.332 7.689 -1.821) 9.532 38.366 ( -4.027 12.652 -8.068) 15.537 38.811 ( 12.301 -3.039 1.159) 12.724 38.922 ( -2.064 6.262 -0.507) 6.613 39.632 ( -34.786 15.316 43.541) 57.797 40.898 ( -20.008 -10.546 -0.224) 22.619 ======================= Grid point 111 (39/120) ======================= q-point: ( 0.33 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 21.290 12.160 0.165) 24.519 1.912 ( 20.396 16.967 -0.326) 26.533 2.671 ( -0.789 1.029 -11.791) 11.862 2.752 ( -7.102 5.150 -1.553) 8.909 2.820 ( -11.456 5.667 0.185) 12.782 3.007 ( 2.457 6.457 -3.247) 7.634 3.160 ( 9.656 15.536 2.091) 18.411 3.249 ( 4.075 10.844 3.879) 12.216 3.413 ( -8.034 -0.088 -2.283) 8.352 3.962 ( 1.547 19.364 6.755) 20.566 4.168 ( -2.278 9.565 7.196) 12.185 4.590 ( 12.304 -0.002 4.582) 13.130 4.917 ( -18.880 -1.368 -2.753) 19.128 5.216 ( -4.988 -6.013 -9.257) 12.113 5.792 ( 5.314 11.833 11.062) 17.048 5.936 ( 4.128 18.143 13.026) 22.713 5.993 ( 0.618 6.089 11.984) 13.457 6.062 ( 1.426 16.515 11.171) 19.989 6.340 ( 5.280 10.646 3.829) 12.485 6.477 ( 2.455 7.180 3.269) 8.263 7.075 ( 10.001 10.822 -8.677) 17.101 7.146 ( 14.759 -4.662 -2.436) 15.668 7.353 ( 3.105 -1.885 -8.038) 8.821 7.571 ( -0.823 0.057 -5.705) 5.765 7.624 ( 11.160 11.785 -3.464) 16.596 7.875 ( -0.628 1.545 -9.146) 9.296 8.020 ( 7.621 8.221 1.135) 11.267 8.282 ( -12.821 -4.310 4.661) 14.306 8.578 ( -6.900 8.178 5.355) 11.965 9.035 ( -5.915 -4.057 -0.322) 7.180 9.115 ( -7.022 -0.061 0.826) 7.071 9.679 ( -10.830 -1.950 -1.055) 11.054 10.211 ( 0.864 -5.897 1.134) 6.067 10.342 ( -1.653 -2.558 -0.850) 3.162 10.574 ( -3.719 -5.460 -1.482) 6.771 10.714 ( -5.911 -4.206 -0.849) 7.304 16.797 ( 2.842 8.722 2.959) 9.639 16.995 ( -3.223 5.096 2.337) 6.467 17.124 ( 3.451 5.090 -1.163) 6.258 17.370 ( -3.669 2.997 -2.625) 5.416 17.392 ( 3.884 -1.084 4.488) 6.033 17.636 ( -3.060 -1.832 3.902) 5.286 18.215 ( 0.426 -5.081 -6.476) 8.243 18.252 ( -0.896 -5.966 -5.233) 7.986 20.548 ( 19.921 -0.431 1.794) 20.006 21.246 ( 14.144 -12.035 -12.760) 22.533 21.583 ( -12.380 -0.233 0.996) 12.422 21.809 ( -6.862 -2.089 -2.516) 7.602 27.886 ( 2.471 -4.376 1.035) 5.131 28.026 ( -1.149 -4.736 -1.572) 5.121 28.044 ( -1.092 -3.299 -0.555) 3.519 28.058 ( -0.737 -4.476 -0.995) 4.645 37.537 ( 7.458 8.481 2.169) 11.500 37.878 ( 5.562 6.949 -3.141) 9.439 38.096 ( -8.357 13.552 -1.178) 15.965 38.273 ( -5.435 10.254 -4.372) 12.401 38.889 ( -0.934 2.278 3.081) 3.944 39.099 ( 13.254 -1.908 3.530) 13.848 39.175 ( -10.542 2.936 25.852) 28.072 40.457 ( -24.327 -8.881 -1.792) 25.959 ======================= Grid point 112 (40/120) ======================= q-point: ( 0.44 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 19.129 13.572 2.276) 23.565 2.278 ( 15.868 7.497 -6.516) 18.721 2.518 ( -13.056 10.654 -0.063) 16.851 2.544 ( -14.284 3.365 -4.665) 15.398 2.785 ( 7.937 1.690 -8.086) 11.456 2.962 ( -6.002 1.146 -7.536) 9.702 3.098 ( -2.584 16.041 -7.138) 17.747 3.158 ( -8.398 10.267 -3.984) 13.849 3.777 ( 23.316 2.989 10.820) 25.877 3.991 ( -1.006 11.123 7.468) 13.436 4.159 ( 5.237 17.757 11.111) 21.592 4.492 ( -23.262 6.568 4.791) 24.641 4.843 ( 12.728 -3.942 -0.086) 13.325 5.068 ( -9.880 -5.671 -4.937) 12.415 5.889 ( 4.616 5.959 13.415) 15.388 5.966 ( -2.954 3.908 13.603) 14.458 6.015 ( 3.523 23.503 9.847) 25.725 6.065 ( -1.342 22.719 9.313) 24.591 6.436 ( 4.224 9.453 2.237) 10.593 6.491 ( -1.157 8.733 2.190) 9.077 7.272 ( 9.200 6.246 -9.250) 14.464 7.346 ( 3.085 -1.244 -8.380) 9.016 7.454 ( 4.074 -0.633 -8.048) 9.043 7.544 ( -2.672 7.231 -6.791) 10.274 7.672 ( 5.548 1.974 -0.880) 5.954 7.959 ( -16.198 -3.614 4.359) 17.159 8.119 ( 16.593 -0.818 -0.826) 16.633 8.237 ( 13.427 7.054 2.455) 15.365 8.406 ( -9.251 7.256 7.358) 13.870 8.652 ( -22.364 -0.324 -3.956) 22.713 9.256 ( 10.313 -1.182 2.630) 10.708 9.466 ( -10.882 -1.299 0.773) 10.987 10.252 ( 3.144 -5.697 -0.621) 6.537 10.313 ( -2.340 -4.797 -1.537) 5.554 10.537 ( 0.938 -5.673 -2.928) 6.452 10.604 ( -5.068 -5.192 -2.853) 7.796 16.858 ( 3.416 7.248 2.749) 8.471 16.928 ( -3.578 6.004 2.593) 7.455 17.202 ( 4.291 4.467 -1.976) 6.501 17.288 ( -4.419 3.788 -2.390) 6.292 17.479 ( 4.560 -1.519 4.094) 6.314 17.565 ( -4.125 -1.706 3.726) 5.815 18.225 ( 0.578 -5.000 -6.045) 7.866 18.237 ( -0.647 -5.411 -5.850) 7.995 20.939 ( 19.530 -0.365 1.740) 19.611 21.297 ( -16.594 -0.292 1.308) 16.648 21.480 ( 10.224 -7.104 -7.774) 14.678 21.661 ( -8.325 -3.947 -4.529) 10.266 27.937 ( 2.636 -4.552 0.235) 5.266 27.987 ( -2.423 -4.703 -0.691) 5.335 28.038 ( 0.137 -3.617 -0.753) 3.697 28.045 ( -0.548 -3.993 -0.830) 4.115 37.701 ( 9.152 10.907 1.322) 14.299 37.883 ( -8.568 12.671 -1.103) 15.336 38.030 ( 5.395 9.087 -1.258) 10.642 38.155 ( -6.491 9.298 -2.642) 11.643 38.894 ( 1.673 -0.204 8.598) 8.762 38.966 ( -6.066 0.270 16.982) 18.035 39.507 ( 22.213 -5.691 -1.598) 22.986 39.971 ( -24.736 -7.190 -2.273) 25.859 ======================= Grid point 117 (41/120) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 21.926 17.266) 27.908 1.521 ( 0.000 26.234 10.939) 28.423 2.605 ( 0.000 40.782 13.454) 42.943 2.974 ( 0.000 0.862 -6.475) 6.533 3.084 ( 0.000 9.013 -10.643) 13.946 3.227 ( 0.000 -0.941 -2.655) 2.817 3.602 ( 0.000 17.870 -5.157) 18.599 3.625 ( 0.000 4.893 -6.414) 8.067 3.680 ( 0.000 0.632 -2.764) 2.835 4.168 ( 0.000 -2.368 8.988) 9.295 4.360 ( 0.000 22.835 0.052) 22.835 4.637 ( 0.000 10.314 -3.674) 10.949 4.810 ( 0.000 -5.806 -15.087) 16.165 5.300 ( 0.000 -12.130 -11.350) 16.612 5.761 ( 0.000 3.929 6.572) 7.657 5.955 ( 0.000 -2.584 17.362) 17.553 5.995 ( 0.000 4.936 8.961) 10.231 6.048 ( 0.000 12.012 14.446) 18.788 6.245 ( 0.000 12.302 13.897) 18.559 6.402 ( 0.000 -4.118 -8.385) 9.342 6.830 ( 0.000 41.987 6.428) 42.476 7.298 ( 0.000 -1.812 -8.144) 8.343 7.417 ( 0.000 20.200 -4.327) 20.658 7.426 ( 0.000 5.132 -2.069) 5.533 7.654 ( 0.000 20.086 -2.901) 20.294 7.753 ( 0.000 -3.044 0.105) 3.046 8.146 ( 0.000 11.182 -4.761) 12.154 8.408 ( 0.000 15.250 -10.599) 18.572 8.922 ( 0.000 -2.097 5.631) 6.009 9.120 ( 0.000 1.041 10.476) 10.528 9.585 ( 0.000 -7.079 -7.045) 9.987 9.993 ( 0.000 -9.153 -2.038) 9.377 10.126 ( 0.000 -3.574 2.519) 4.373 10.620 ( 0.000 -2.755 2.941) 4.030 10.673 ( 0.000 -0.870 -8.810) 8.853 11.092 ( 0.000 -4.533 -3.073) 5.476 17.006 ( 0.000 16.332 3.999) 16.814 17.033 ( 0.000 -4.359 1.503) 4.610 17.204 ( 0.000 7.189 3.683) 8.078 17.476 ( 0.000 10.747 -0.802) 10.777 17.544 ( 0.000 2.206 -2.329) 3.208 17.708 ( 0.000 -3.950 7.860) 8.797 17.998 ( 0.000 -12.497 -7.466) 14.558 18.154 ( 0.000 -8.638 -2.540) 9.004 19.791 ( 0.000 0.083 0.182) 0.200 19.814 ( 0.000 -0.155 -0.146) 0.213 21.927 ( 0.000 -0.143 0.578) 0.595 22.015 ( 0.000 -1.100 -0.719) 1.315 27.694 ( 0.000 -6.331 1.962) 6.629 27.937 ( 0.000 -4.340 0.951) 4.443 27.947 ( 0.000 -7.941 -1.750) 8.132 28.054 ( 0.000 -5.581 -0.777) 5.635 37.451 ( 0.000 8.520 2.740) 8.950 37.805 ( 0.000 6.307 -1.115) 6.404 38.295 ( 0.000 -1.897 1.014) 2.151 38.491 ( 0.000 -3.574 1.798) 4.001 38.651 ( 0.000 6.014 -7.380) 9.520 39.267 ( 0.000 16.996 -6.869) 18.332 40.994 ( 0.000 -19.494 4.298) 19.962 41.194 ( 0.000 -7.540 5.613) 9.400 ======================= Grid point 118 (42/120) ======================= q-point: ( 0.11 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 10.512 21.405 8.469) 25.306 1.670 ( 13.520 22.212 12.034) 28.653 2.670 ( 6.025 32.946 10.235) 35.021 2.945 ( -1.770 3.664 -5.012) 6.456 3.068 ( -2.010 11.758 -6.822) 13.742 3.212 ( -1.512 1.513 -3.452) 4.061 3.516 ( -7.111 3.692 -2.418) 8.370 3.595 ( -1.748 12.987 -4.736) 13.933 3.699 ( -1.292 3.773 -8.350) 9.254 4.126 ( -0.947 2.019 10.301) 10.540 4.370 ( 1.521 19.820 0.936) 19.900 4.632 ( -0.419 11.507 -0.871) 11.547 4.935 ( 8.561 -5.848 -17.194) 20.078 5.259 ( -4.018 -11.046 -9.408) 15.055 5.783 ( 1.611 3.173 8.985) 9.665 5.922 ( 0.383 0.599 14.970) 14.986 6.091 ( 6.082 8.462 8.822) 13.654 6.142 ( 8.562 8.427 12.662) 17.454 6.260 ( 4.079 5.313 7.066) 9.736 6.517 ( 9.346 1.900 -2.009) 9.747 6.825 ( -0.418 41.673 6.070) 42.115 7.264 ( -1.596 -3.053 -7.114) 7.904 7.377 ( -0.759 16.240 -3.090) 16.549 7.509 ( 3.076 6.952 -3.646) 8.431 7.702 ( -0.691 11.940 -4.277) 12.702 7.748 ( 6.421 8.143 0.099) 10.371 8.242 ( 7.913 7.070 -3.438) 11.154 8.372 ( -3.496 15.643 -10.224) 19.012 8.874 ( -4.555 -1.519 5.493) 7.296 9.097 ( -2.443 1.684 10.060) 10.488 9.514 ( -7.043 -6.923 -6.586) 11.871 9.934 ( -5.649 -8.118 -2.016) 10.094 10.111 ( -1.354 -4.083 2.250) 4.854 10.599 ( -2.196 -3.085 2.137) 4.348 10.623 ( -5.194 -0.062 -9.028) 10.416 10.970 ( -10.365 -2.107 0.501) 10.589 16.997 ( -0.488 12.733 3.217) 13.142 17.053 ( 1.608 -0.952 1.830) 2.615 17.206 ( 0.132 7.364 3.015) 7.958 17.446 ( -2.531 10.986 1.275) 11.346 17.533 ( -1.188 2.362 -2.492) 3.633 17.679 ( -2.046 -2.859 6.436) 7.333 18.008 ( 0.989 -12.090 -7.301) 14.158 18.145 ( -0.846 -8.461 -2.767) 8.942 19.908 ( 9.717 -0.336 0.234) 9.725 20.063 ( 23.445 -7.501 -3.702) 24.893 21.890 ( -3.814 -0.167 0.594) 3.864 21.986 ( -3.012 -1.241 -0.822) 3.360 27.704 ( 0.998 -6.351 1.882) 6.699 27.936 ( -0.170 -4.823 0.517) 4.853 27.946 ( -0.065 -7.735 -1.528) 7.884 28.034 ( -1.839 -5.503 -0.690) 5.843 37.486 ( 3.568 9.033 2.659) 10.070 37.836 ( 3.136 6.842 -1.239) 7.628 38.299 ( 0.363 -1.098 1.104) 1.599 38.544 ( 5.122 -3.214 0.304) 6.055 38.640 ( -0.828 5.365 -6.578) 8.529 39.226 ( -4.172 15.899 -6.187) 17.563 40.771 ( -35.883 4.757 12.270) 38.220 40.899 ( -11.192 -17.936 4.328) 21.580 ======================= Grid point 119 (43/120) ======================= q-point: ( 0.22 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 17.103 17.118 -2.098) 24.289 1.972 ( 16.008 18.255 9.575) 26.100 2.752 ( -0.094 8.366 -6.610) 10.663 2.928 ( -2.192 3.074 -2.410) 4.480 3.079 ( 6.336 25.117 7.606) 26.998 3.147 ( -5.294 6.826 -1.913) 8.848 3.389 ( -4.719 5.428 -2.707) 7.684 3.523 ( -4.330 2.553 -3.860) 6.337 3.653 ( -2.944 14.835 -7.468) 16.868 4.182 ( 5.900 1.709 6.861) 9.209 4.400 ( 0.790 21.817 0.311) 21.834 4.636 ( 1.269 12.405 5.503) 13.630 5.028 ( -0.878 -6.204 -15.602) 16.814 5.160 ( -5.014 -7.242 -5.453) 10.359 5.808 ( 1.289 2.137 14.082) 14.302 5.971 ( 3.672 1.667 12.446) 13.083 6.251 ( 8.986 9.165 4.865) 13.726 6.295 ( 8.445 12.935 8.811) 17.784 6.441 ( 12.003 1.274 4.278) 12.806 6.710 ( 8.893 9.755 0.098) 13.200 6.827 ( 2.028 36.035 5.711) 36.541 7.266 ( 1.384 -4.085 -6.292) 7.629 7.378 ( 0.720 8.989 -1.763) 9.188 7.569 ( 4.714 4.246 -4.313) 7.672 7.666 ( -1.138 15.344 -4.159) 15.938 7.955 ( 12.144 11.922 -0.810) 17.037 8.262 ( -6.449 15.835 -9.843) 19.729 8.375 ( 1.286 3.033 -0.132) 3.297 8.783 ( -2.719 1.229 4.130) 5.095 9.026 ( -4.474 1.860 8.477) 9.764 9.320 ( -12.328 -5.897 -5.015) 14.557 9.792 ( -8.330 -5.999 -2.128) 10.484 10.083 ( -1.192 -5.262 1.658) 5.644 10.474 ( -8.767 3.352 -8.237) 12.488 10.536 ( -4.370 -5.372 1.644) 7.118 10.771 ( -9.002 -2.898 2.483) 9.777 16.993 ( 0.172 11.498 2.555) 11.780 17.085 ( 1.404 0.202 1.745) 2.248 17.210 ( 0.491 7.588 1.057) 7.677 17.408 ( -0.691 8.806 4.031) 9.710 17.499 ( -2.257 3.039 -2.783) 4.698 17.644 ( -1.709 -1.630 4.441) 5.030 18.033 ( 1.446 -11.010 -6.869) 13.057 18.126 ( -0.987 -8.045 -3.313) 8.756 20.173 ( 16.723 -0.466 0.942) 16.756 20.556 ( 24.494 -13.900 -7.174) 29.062 21.776 ( -7.912 -0.227 0.651) 7.942 21.898 ( -5.926 -1.796 -1.170) 6.302 27.732 ( 1.812 -6.416 1.634) 6.864 27.929 ( -0.542 -5.643 -0.119) 5.670 27.944 ( -0.164 -7.454 -1.240) 7.558 27.991 ( -2.310 -5.440 -0.539) 5.935 37.590 ( 7.027 10.564 2.328) 12.899 37.925 ( 5.861 8.341 -1.681) 10.332 38.307 ( 0.303 1.599 1.339) 2.108 38.584 ( -2.464 7.112 -9.873) 12.415 38.724 ( 10.694 -5.410 1.735) 12.109 39.113 ( -6.947 12.493 -4.005) 14.845 39.995 ( -38.232 17.669 21.132) 47.121 40.614 ( -18.005 -17.011 1.832) 24.838 ======================= Grid point 120 (44/120) ======================= q-point: ( 0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 18.906 11.839 -6.885) 23.345 2.271 ( 14.100 14.831 5.155) 21.104 2.701 ( -3.761 1.672 -10.708) 11.471 2.857 ( -3.697 6.561 -3.985) 8.520 2.997 ( -9.617 8.818 -0.249) 13.050 3.119 ( -4.965 6.236 -1.123) 8.050 3.386 ( -0.548 4.150 -0.605) 4.230 3.557 ( 3.665 16.046 -1.055) 16.493 3.597 ( 6.494 20.534 0.019) 21.536 4.308 ( 3.809 4.400 2.492) 6.331 4.401 ( 1.595 17.871 -0.127) 17.943 4.685 ( 3.574 11.844 10.226) 16.051 4.903 ( -9.582 0.587 -4.994) 10.821 5.072 ( -5.371 -5.828 -4.718) 9.223 5.850 ( 3.126 1.906 15.135) 15.572 6.021 ( 0.757 2.244 12.501) 12.723 6.422 ( 8.496 11.394 1.998) 14.352 6.473 ( 8.142 12.026 3.794) 15.010 6.643 ( 7.542 10.321 4.387) 13.515 6.776 ( 0.382 36.851 4.103) 37.081 7.011 ( 14.100 2.402 -0.029) 14.303 7.300 ( 1.998 -3.131 -5.231) 6.416 7.389 ( 0.646 0.011 1.105) 1.280 7.671 ( 1.986 20.702 -5.310) 21.464 7.748 ( 13.147 -0.161 -6.195) 14.535 8.110 ( -6.668 22.219 -5.394) 23.817 8.200 ( 10.226 8.160 -2.113) 13.253 8.240 ( -12.657 1.680 3.821) 13.328 8.747 ( -5.690 8.684 3.899) 11.090 8.935 ( -7.947 -5.849 -1.473) 9.976 9.104 ( -3.303 -0.665 2.386) 4.129 9.619 ( -9.334 -3.985 -1.635) 10.279 10.078 ( 1.000 -6.069 0.855) 6.210 10.326 ( -5.894 1.668 -5.544) 8.262 10.442 ( -4.549 -6.851 0.357) 8.231 10.613 ( -7.458 -5.242 0.262) 9.120 17.005 ( 0.994 10.298 2.090) 10.554 17.093 ( -0.701 3.415 1.894) 3.968 17.237 ( 2.408 5.845 -1.093) 6.416 17.420 ( 1.089 4.326 4.487) 6.327 17.448 ( -2.290 4.840 -2.342) 5.844 17.603 ( -2.519 -0.555 3.832) 4.619 18.062 ( 1.372 -9.700 -6.256) 11.624 18.110 ( -0.633 -7.761 -4.000) 8.754 20.538 ( 19.952 -0.497 1.374) 20.005 20.984 ( 19.108 -12.694 -6.810) 23.929 21.577 ( -12.442 -0.285 0.816) 12.472 21.755 ( -8.557 -3.111 -1.912) 9.304 27.773 ( 2.315 -6.526 1.222) 7.032 27.909 ( -1.657 -6.399 -0.244) 6.615 27.940 ( -0.201 -7.091 -1.092) 7.178 27.955 ( -1.224 -5.436 -0.500) 5.595 37.758 ( 10.035 12.950 1.414) 16.444 38.057 ( 7.204 10.301 -2.790) 12.876 38.302 ( -1.138 7.426 1.476) 7.657 38.510 ( -4.963 9.727 -9.904) 14.743 38.965 ( -1.055 2.370 0.544) 2.651 39.000 ( 10.727 -3.379 -0.055) 11.247 39.362 ( -25.733 14.101 22.011) 36.681 40.216 ( -22.025 -14.584 -0.086) 26.415 ======================= Grid point 121 (45/120) ======================= q-point: ( 0.44 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 15.624 7.484 -7.874) 19.029 2.487 ( 5.514 7.010 -0.417) 8.928 2.632 ( -1.835 6.754 -8.885) 11.310 2.759 ( -11.291 10.865 -1.402) 15.732 2.856 ( 2.721 4.772 -3.055) 6.286 2.986 ( -7.979 3.831 -2.326) 9.152 3.390 ( 2.265 12.087 -4.300) 13.027 3.469 ( -5.240 17.467 -5.768) 19.126 3.938 ( 18.031 12.122 6.368) 22.641 4.224 ( -10.252 10.205 2.436) 14.669 4.527 ( 8.080 11.684 0.170) 14.207 4.690 ( -8.312 12.223 0.797) 14.802 4.799 ( 5.252 4.426 8.128) 10.642 4.939 ( -7.695 -3.261 1.716) 8.532 5.925 ( 4.140 2.115 14.063) 14.811 5.997 ( -2.861 2.398 13.062) 13.585 6.556 ( 4.414 10.611 -0.308) 11.497 6.578 ( 2.251 11.719 0.843) 11.963 6.739 ( 3.047 23.482 5.278) 24.260 6.776 ( -0.661 34.594 5.683) 35.064 7.234 ( 6.415 -5.206 -5.794) 10.091 7.308 ( -1.988 -5.429 -5.778) 8.173 7.517 ( 14.380 0.171 5.994) 15.580 7.727 ( 1.469 17.197 -3.833) 17.680 7.893 ( -5.927 9.583 -6.753) 13.137 7.933 ( -12.797 5.329 1.199) 13.914 8.139 ( 15.792 7.904 -4.375) 18.193 8.406 ( 4.341 8.442 -0.877) 9.533 8.537 ( -9.566 5.172 2.620) 11.186 8.689 ( -12.815 5.795 1.618) 14.157 9.223 ( 10.020 -1.990 1.968) 10.403 9.426 ( -10.279 -2.579 -0.060) 10.597 10.127 ( 3.977 -5.647 -0.329) 6.915 10.223 ( -5.281 -3.110 -2.285) 6.540 10.402 ( 1.280 -6.794 -1.914) 7.174 10.479 ( -5.876 -6.409 -1.716) 8.863 17.031 ( 1.648 8.684 1.848) 9.030 17.066 ( -1.792 6.608 1.822) 7.084 17.299 ( 3.673 4.230 -2.128) 5.993 17.373 ( -3.704 3.539 -2.348) 5.636 17.480 ( 3.189 3.275 4.427) 6.363 17.545 ( -3.298 0.959 4.103) 5.350 18.084 ( 0.943 -8.582 -5.536) 10.256 18.099 ( -0.564 -7.911 -4.765) 9.252 20.931 ( 19.629 -0.427 1.359) 19.680 21.288 ( -13.870 -1.084 0.316) 13.916 21.313 ( 11.691 -8.204 -4.211) 14.890 21.562 ( -11.236 -5.493 -3.195) 12.908 27.820 ( 2.482 -6.639 0.689) 7.122 27.868 ( -2.373 -6.655 0.145) 7.067 27.938 ( -0.008 -6.471 -0.899) 6.533 27.941 ( -0.350 -5.934 -0.692) 5.985 37.972 ( 11.205 15.083 -0.753) 18.805 38.142 ( -2.884 12.242 -4.256) 13.278 38.285 ( 2.886 15.244 0.262) 15.517 38.396 ( -6.289 13.076 -5.651) 15.571 38.895 ( -0.315 0.470 7.273) 7.295 38.997 ( -11.435 3.485 16.127) 20.074 39.352 ( 20.220 -9.341 -0.862) 22.289 39.774 ( -22.502 -11.958 -1.065) 25.504 ======================= Grid point 126 (46/120) ======================= q-point: ( 0.00 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.000 23.404 11.654) 26.145 2.048 ( 0.000 25.919 -0.323) 25.921 2.966 ( 0.000 2.661 -2.894) 3.932 2.989 ( 0.000 0.612 -5.586) 5.619 3.207 ( 0.000 1.382 -3.589) 3.846 3.584 ( 0.000 28.252 5.092) 28.707 3.654 ( 0.000 -3.353 -4.465) 5.584 3.706 ( 0.000 3.489 -8.053) 8.777 3.861 ( 0.000 7.000 -5.949) 9.186 4.089 ( 0.000 0.173 7.106) 7.108 4.661 ( 0.000 -8.169 -8.729) 11.955 4.788 ( 0.000 -0.570 -1.374) 1.487 4.883 ( 0.000 25.300 -6.323) 26.078 5.159 ( 0.000 2.737 -12.960) 13.246 5.836 ( 0.000 5.115 2.429) 5.662 5.928 ( 0.000 -1.230 14.237) 14.290 5.994 ( 0.000 -5.301 0.767) 5.356 6.205 ( 0.000 5.995 12.857) 14.185 6.408 ( 0.000 4.517 0.224) 4.522 6.492 ( 0.000 11.882 16.731) 20.521 7.163 ( 0.000 -9.904 -4.399) 10.837 7.312 ( 0.000 -17.649 4.377) 18.183 7.562 ( 0.000 8.912 -5.736) 10.598 7.751 ( 0.000 44.376 4.801) 44.635 7.895 ( 0.000 9.621 -11.598) 15.069 8.241 ( 0.000 27.946 -0.518) 27.951 8.317 ( 0.000 7.300 5.300) 9.021 8.752 ( 0.000 15.758 -2.428) 15.944 8.850 ( 0.000 -3.080 3.768) 4.867 9.160 ( 0.000 4.435 8.313) 9.423 9.440 ( 0.000 -7.029 -8.681) 11.170 9.791 ( 0.000 -10.545 1.474) 10.647 10.149 ( 0.000 5.500 0.613) 5.534 10.603 ( 0.000 1.831 1.661) 2.472 10.646 ( 0.000 -2.201 -4.982) 5.447 11.031 ( 0.000 -2.220 -6.796) 7.150 16.975 ( 0.000 -1.066 -4.089) 4.226 17.282 ( 0.000 8.712 0.470) 8.724 17.343 ( 0.000 5.813 2.647) 6.388 17.557 ( 0.000 -1.876 -1.451) 2.372 17.604 ( 0.000 1.337 1.154) 1.766 17.724 ( 0.000 6.473 8.113) 10.379 17.785 ( 0.000 -6.011 -4.095) 7.273 17.982 ( 0.000 -7.948 -1.446) 8.079 19.793 ( 0.000 0.131 0.142) 0.193 19.810 ( 0.000 -0.216 -0.101) 0.238 21.926 ( 0.000 0.030 0.423) 0.424 21.990 ( 0.000 -1.324 -0.534) 1.427 27.572 ( 0.000 -5.417 1.759) 5.695 27.775 ( 0.000 -8.846 -1.222) 8.930 27.849 ( 0.000 -4.163 0.688) 4.220 27.936 ( 0.000 -5.970 -0.590) 5.999 37.629 ( 0.000 8.898 2.870) 9.349 37.911 ( 0.000 3.765 0.682) 3.827 38.257 ( 0.000 -1.685 1.596) 2.321 38.406 ( 0.000 -4.651 3.256) 5.677 38.783 ( 0.000 8.340 -8.422) 11.853 39.580 ( 0.000 11.713 -15.518) 19.443 40.618 ( 0.000 -15.574 11.681) 19.468 41.060 ( 0.000 -6.752 3.786) 7.741 ======================= Grid point 127 (47/120) ======================= q-point: ( 0.11 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 7.722 21.547 6.816) 23.882 2.131 ( 8.033 23.420 0.970) 24.779 2.925 ( -3.923 1.928 -4.760) 6.462 2.996 ( 0.634 1.879 -5.469) 5.817 3.227 ( 1.672 1.163 -3.560) 4.102 3.549 ( -5.049 7.312 1.003) 8.942 3.577 ( -5.386 12.096 -0.245) 13.244 3.715 ( 0.499 8.979 -6.751) 11.245 3.849 ( 0.146 7.449 -4.291) 8.597 4.134 ( 4.027 1.649 6.221) 7.592 4.682 ( 2.340 -4.295 -5.598) 7.434 4.739 ( -3.542 1.149 -0.695) 3.788 4.988 ( 7.359 17.330 -9.904) 21.273 5.165 ( 0.709 5.962 -9.844) 11.530 5.857 ( 1.615 5.502 5.809) 8.163 5.925 ( 1.844 -1.207 9.449) 9.703 6.111 ( 9.474 -3.557 4.132) 10.931 6.241 ( 4.029 3.674 10.227) 11.589 6.413 ( 2.544 8.445 6.923) 11.213 6.621 ( 10.462 6.377 7.597) 14.417 7.145 ( -1.239 -8.877 -4.120) 9.865 7.293 ( -1.763 -16.495 4.759) 17.258 7.563 ( 0.124 7.324 -6.188) 9.589 7.734 ( -1.480 42.158 3.703) 42.346 7.965 ( 6.509 9.631 -9.268) 14.867 8.236 ( -0.418 27.092 -0.155) 27.095 8.371 ( 4.649 6.596 4.155) 9.076 8.734 ( -1.719 16.307 -1.999) 16.519 8.819 ( -2.996 -1.471 3.817) 5.070 9.149 ( -1.143 4.705 7.789) 9.171 9.377 ( -6.307 -6.258 -7.985) 11.946 9.751 ( -3.842 -9.815 0.862) 10.576 10.121 ( -2.732 4.855 0.521) 5.596 10.567 ( -3.618 1.191 1.749) 4.191 10.613 ( -3.381 -1.740 -5.323) 6.541 10.947 ( -8.061 -0.609 -5.287) 9.659 16.988 ( 1.296 -1.144 -3.741) 4.122 17.259 ( -1.850 7.218 0.650) 7.479 17.355 ( 0.795 7.043 1.898) 7.338 17.536 ( -1.829 -2.340 -1.019) 3.140 17.613 ( 0.592 2.968 1.348) 3.313 17.696 ( -2.279 6.733 7.282) 10.176 17.799 ( 1.389 -6.315 -4.054) 7.631 17.978 ( -0.422 -7.651 -1.548) 7.818 19.902 ( 9.685 -0.223 0.178) 9.689 19.966 ( 15.777 -2.998 -0.924) 16.086 21.888 ( -3.850 0.023 0.435) 3.875 21.958 ( -3.315 -1.457 -0.601) 3.671 27.581 ( 0.953 -5.445 1.695) 5.782 27.777 ( 0.154 -8.704 -1.172) 8.784 27.843 ( -0.651 -4.355 0.586) 4.442 27.918 ( -1.671 -5.845 -0.514) 6.101 37.674 ( 4.580 9.350 2.750) 10.768 37.953 ( 4.318 4.334 0.573) 6.145 38.273 ( 1.630 -1.220 1.675) 2.637 38.453 ( 4.809 -5.103 2.787) 7.546 38.765 ( -1.807 7.903 -8.261) 11.575 39.524 ( -5.696 11.423 -14.430) 19.265 40.526 ( -9.186 -15.283 10.584) 20.736 40.820 ( -22.798 -1.154 5.912) 23.580 ======================= Grid point 128 (48/120) ======================= q-point: ( 0.22 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 11.676 17.006 -1.199) 20.664 2.328 ( 11.031 18.008 1.423) 21.165 2.824 ( -5.851 0.244 -7.316) 9.371 3.007 ( -0.027 4.700 -5.228) 7.030 3.248 ( -0.630 3.342 -1.746) 3.823 3.427 ( -8.048 6.071 -2.967) 10.509 3.437 ( -5.378 1.557 -2.979) 6.342 3.781 ( 5.930 19.614 1.189) 20.526 3.871 ( 1.832 8.174 -5.100) 9.808 4.226 ( 5.075 2.656 6.571) 8.717 4.652 ( -5.301 -2.816 -1.019) 6.089 4.737 ( 2.465 -4.092 -3.819) 6.116 5.102 ( 3.642 18.975 -8.147) 20.969 5.189 ( 1.758 12.364 -3.092) 12.865 5.882 ( 1.341 5.890 11.513) 13.002 6.005 ( 5.213 1.050 7.077) 8.852 6.320 ( 9.602 1.182 5.195) 10.981 6.382 ( 11.727 -3.892 4.189) 13.047 6.518 ( 8.034 8.605 6.832) 13.611 6.835 ( 9.629 1.710 -0.900) 9.821 7.149 ( 2.153 -7.184 -3.589) 8.314 7.263 ( -0.099 -13.143 7.821) 15.294 7.580 ( 2.130 5.462 -6.944) 9.088 7.696 ( -2.472 38.319 3.682) 38.574 8.124 ( 9.084 6.755 -6.752) 13.181 8.223 ( -1.046 24.634 0.118) 24.656 8.430 ( -1.323 5.203 1.614) 5.606 8.699 ( -1.783 21.169 -0.483) 21.250 8.768 ( 0.334 -1.071 3.968) 4.124 9.099 ( -5.668 5.132 3.797) 8.537 9.214 ( -8.523 -3.463 -3.584) 9.873 9.654 ( -5.753 -7.693 -0.619) 9.627 10.057 ( -3.161 3.211 0.418) 4.525 10.468 ( -6.169 -0.137 1.822) 6.434 10.518 ( -6.112 -0.167 -6.112) 8.646 10.751 ( -10.961 1.061 -2.174) 11.225 17.025 ( 2.402 -1.142 -2.981) 3.995 17.222 ( -1.757 5.786 0.472) 6.065 17.364 ( 0.052 7.123 0.515) 7.142 17.494 ( -2.249 -2.020 -0.182) 3.029 17.615 ( -0.493 6.972 2.575) 7.449 17.660 ( -1.138 4.763 4.823) 6.873 17.836 ( 2.287 -6.702 -3.875) 8.072 17.969 ( -0.428 -6.934 -1.821) 7.182 20.166 ( 16.695 -0.159 0.627) 16.707 20.348 ( 21.705 -7.399 -2.461) 23.063 21.773 ( -7.967 -0.005 0.474) 7.981 21.860 ( -6.769 -1.946 -0.812) 7.090 27.608 ( 1.726 -5.521 1.509) 5.979 27.781 ( 0.300 -8.298 -1.036) 8.368 27.824 ( -1.335 -4.865 0.381) 5.059 27.878 ( -2.222 -5.663 -0.369) 6.095 37.807 ( 8.967 10.655 2.224) 14.103 38.076 ( 8.053 6.025 0.003) 10.058 38.322 ( 3.406 0.349 2.135) 4.035 38.593 ( 9.388 -6.273 1.443) 11.383 38.715 ( -3.160 6.523 -7.673) 10.555 39.364 ( -10.271 10.432 -11.316) 18.504 40.250 ( -27.668 2.909 8.640) 29.132 40.284 ( -20.462 -9.547 8.719) 24.205 ======================= Grid point 129 (49/120) ======================= q-point: ( 0.33 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 13.662 11.287 -5.498) 18.555 2.525 ( 8.079 11.785 -1.553) 14.373 2.723 ( -3.731 0.312 -8.411) 9.207 2.972 ( -3.307 4.250 -2.267) 5.842 3.158 ( -8.208 7.436 0.305) 11.079 3.259 ( -7.200 8.256 -7.647) 13.360 3.448 ( 5.108 2.282 -4.573) 7.225 3.838 ( -1.721 8.900 -10.308) 13.727 3.982 ( 9.788 17.223 6.002) 20.699 4.329 ( 5.277 0.366 6.362) 8.274 4.541 ( -5.546 -1.757 0.647) 5.854 4.745 ( -2.284 -9.538 -3.171) 10.308 5.144 ( 1.526 25.758 -0.829) 25.816 5.219 ( 0.777 17.861 2.528) 18.056 5.927 ( 3.344 6.157 11.968) 13.868 6.085 ( 2.135 3.805 8.676) 9.712 6.478 ( 7.275 -1.525 0.660) 7.463 6.592 ( 6.415 -1.050 1.888) 6.769 6.773 ( 18.405 5.784 4.595) 19.832 6.965 ( 4.535 -5.463 -5.099) 8.741 7.160 ( -1.653 -11.183 -2.476) 11.572 7.375 ( 10.268 1.536 9.071) 13.786 7.610 ( -3.719 29.950 2.326) 30.269 7.697 ( 7.864 4.455 -4.994) 10.326 8.158 ( -7.105 14.853 3.346) 16.802 8.284 ( 0.323 5.944 -4.774) 7.631 8.332 ( 0.466 9.551 -2.770) 9.955 8.661 ( -0.979 25.140 1.229) 25.189 8.815 ( -6.115 -5.339 -0.623) 8.142 8.921 ( -2.922 8.686 0.336) 9.171 9.116 ( -2.082 2.743 3.322) 4.785 9.531 ( -6.957 -4.721 -1.503) 8.541 10.022 ( 0.048 1.426 0.381) 1.477 10.343 ( -6.604 -1.892 2.139) 7.195 10.388 ( -6.227 2.631 -6.680) 9.504 10.546 ( -9.464 -0.180 -0.225) 9.468 17.078 ( 2.842 -0.501 -2.133) 3.588 17.192 ( -1.376 4.545 0.132) 4.751 17.361 ( -0.094 5.519 -0.778) 5.575 17.451 ( -2.230 -1.460 -0.747) 2.768 17.604 ( -0.288 8.849 3.776) 9.625 17.643 ( -0.823 4.425 3.681) 5.814 17.883 ( 2.352 -6.666 -3.555) 7.912 17.961 ( -0.408 -6.294 -2.224) 6.688 20.532 ( 19.998 -0.085 0.909) 20.019 20.771 ( 20.808 -8.509 -2.985) 22.678 21.574 ( -12.478 -0.024 0.571) 12.491 21.693 ( -10.268 -3.038 -1.224) 10.778 27.647 ( 2.218 -5.618 1.222) 6.162 27.788 ( -0.682 -6.571 -0.392) 6.618 27.790 ( -1.058 -6.527 -0.129) 6.613 27.840 ( -1.550 -5.770 -0.348) 5.984 38.019 ( 12.294 12.441 0.559) 17.499 38.252 ( 9.020 8.303 -1.966) 12.416 38.415 ( 6.561 4.463 3.772) 8.785 38.641 ( -3.667 5.204 -7.534) 9.864 38.823 ( 13.451 -8.612 0.683) 15.986 39.137 ( -12.258 8.049 -6.328) 15.971 39.640 ( -29.780 11.820 11.472) 34.032 39.918 ( -19.768 -13.825 4.642) 24.565 ======================= Grid point 130 (50/120) ======================= q-point: ( 0.44 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 10.815 6.364 -6.018) 13.917 2.602 ( -0.628 5.688 -5.436) 7.893 2.708 ( 3.298 1.464 -7.161) 8.019 2.866 ( -9.478 0.682 -4.537) 10.530 3.044 ( 0.933 12.986 -0.583) 13.033 3.135 ( -6.084 10.194 -3.756) 12.451 3.590 ( 8.478 7.413 -8.426) 14.065 3.749 ( -6.941 9.658 -10.888) 16.124 4.184 ( 10.044 10.616 5.419) 15.587 4.350 ( -5.800 2.463 2.881) 6.928 4.517 ( 5.349 -3.855 4.409) 7.932 4.650 ( -6.749 -9.275 0.050) 11.471 5.180 ( 2.048 26.278 4.100) 26.675 5.214 ( -1.182 22.727 5.159) 23.335 6.006 ( 4.372 6.279 10.738) 13.185 6.079 ( -2.498 5.751 9.755) 11.597 6.599 ( 4.755 -2.690 -1.635) 5.702 6.650 ( -0.110 -1.914 -1.143) 2.232 7.045 ( 3.794 -9.564 -3.675) 10.926 7.108 ( -0.924 -6.810 -2.050) 7.171 7.153 ( 16.069 6.308 3.540) 17.622 7.432 ( -9.672 19.982 2.811) 22.377 7.638 ( 11.750 12.048 8.702) 18.946 7.894 ( -5.700 1.994 1.108) 6.140 7.958 ( 5.189 4.644 -1.104) 7.051 8.180 ( -8.098 10.218 -4.574) 13.817 8.429 ( 4.123 11.033 -4.798) 12.717 8.557 ( -10.636 6.999 -3.906) 13.318 8.727 ( 5.956 17.587 3.553) 18.905 8.872 ( -6.779 11.258 2.920) 13.462 9.194 ( 8.876 -0.050 1.146) 8.950 9.376 ( -8.857 -1.969 -0.773) 9.107 10.069 ( 4.777 0.558 -0.010) 4.810 10.196 ( -7.693 -0.179 -0.339) 7.703 10.328 ( 0.393 0.510 -2.752) 2.827 10.393 ( -5.888 -1.149 -0.822) 6.056 17.129 ( 2.273 1.182 -1.189) 2.824 17.165 ( -1.469 3.109 -0.364) 3.458 17.370 ( 1.160 2.743 -1.603) 3.382 17.406 ( -2.277 -0.054 -1.721) 2.855 17.608 ( 0.642 7.985 4.157) 9.026 17.625 ( -0.984 6.125 3.908) 7.332 17.924 ( 1.727 -6.360 -3.153) 7.306 17.949 ( -0.899 -6.129 -2.696) 6.756 20.925 ( 19.697 -0.028 0.905) 19.718 21.149 ( 17.517 -7.036 -2.608) 19.056 21.286 ( -16.722 -0.036 0.759) 16.739 21.457 ( -13.871 -4.861 -1.865) 14.816 27.693 ( 2.454 -5.674 0.879) 6.245 27.742 ( -2.510 -5.622 0.548) 6.181 27.800 ( 0.670 -7.012 -0.666) 7.075 27.816 ( -0.977 -6.314 -0.489) 6.408 38.257 ( 10.642 12.652 -3.429) 16.885 38.367 ( 0.788 10.524 -4.158) 11.343 38.580 ( 6.745 12.264 1.553) 14.082 38.601 ( 1.925 8.073 -5.255) 9.823 38.914 ( -4.601 1.042 3.097) 5.643 39.083 ( -7.583 -0.024 5.776) 9.532 39.188 ( 3.175 -2.050 5.809) 6.930 39.525 ( -19.884 -12.204 2.007) 23.416 ======================= Grid point 135 (51/120) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.000 22.236 7.837) 23.577 2.515 ( 0.000 19.620 -6.425) 20.645 2.901 ( 0.000 -8.388 2.147) 8.658 2.984 ( 0.000 -1.827 -5.638) 5.926 3.268 ( 0.000 4.744 -5.563) 7.312 3.546 ( 0.000 -7.320 -5.916) 9.412 3.750 ( 0.000 2.355 -9.085) 9.385 3.893 ( 0.000 -2.514 -8.582) 8.942 3.918 ( 0.000 8.622 -2.382) 8.945 4.323 ( 0.000 18.480 9.345) 20.708 4.413 ( 0.000 -15.111 -6.334) 16.385 4.732 ( 0.000 -3.512 0.537) 3.553 5.310 ( 0.000 17.239 -7.390) 18.756 5.354 ( 0.000 12.796 -6.075) 14.165 5.838 ( 0.000 -6.418 0.977) 6.492 5.840 ( 0.000 -9.066 -4.378) 10.068 6.026 ( 0.000 12.633 8.694) 15.335 6.344 ( 0.000 8.569 12.992) 15.563 6.494 ( 0.000 1.603 7.102) 7.281 6.694 ( 0.000 8.007 10.481) 13.189 6.856 ( 0.000 -20.179 6.288) 21.136 7.001 ( 0.000 -11.844 -2.123) 12.033 7.760 ( 0.000 10.329 -9.522) 14.049 8.002 ( 0.000 1.035 -14.177) 14.215 8.440 ( 0.000 15.367 8.253) 17.443 8.478 ( 0.000 16.230 5.236) 17.054 8.575 ( 0.000 5.086 7.061) 8.702 8.786 ( 0.000 -0.324 1.991) 2.017 9.031 ( 0.000 9.751 0.283) 9.755 9.317 ( 0.000 -5.560 -8.818) 10.425 9.333 ( 0.000 11.245 3.947) 11.918 9.604 ( 0.000 -7.289 4.690) 8.668 10.301 ( 0.000 8.543 1.080) 8.611 10.578 ( 0.000 -4.704 -0.770) 4.767 10.703 ( 0.000 7.717 -1.374) 7.838 10.978 ( 0.000 -3.734 -6.891) 7.838 16.994 ( 0.000 2.967 -8.278) 8.794 17.256 ( 0.000 -8.253 -9.565) 12.633 17.419 ( 0.000 2.399 2.132) 3.210 17.529 ( 0.000 -1.417 1.997) 2.449 17.644 ( 0.000 3.201 -0.055) 3.201 17.748 ( 0.000 -1.158 -0.570) 1.291 17.851 ( 0.000 4.966 9.383) 10.616 17.889 ( 0.000 -0.308 4.001) 4.013 19.796 ( 0.000 0.184 0.088) 0.204 19.805 ( 0.000 -0.243 -0.042) 0.246 21.930 ( 0.000 0.406 0.210) 0.457 21.964 ( 0.000 -1.244 -0.299) 1.280 27.497 ( 0.000 -1.767 1.262) 2.172 27.613 ( 0.000 -7.065 -0.435) 7.079 27.784 ( 0.000 -2.086 0.355) 2.116 27.830 ( 0.000 -4.293 -0.325) 4.306 37.790 ( 0.000 6.977 2.980) 7.587 37.944 ( 0.000 -0.422 2.114) 2.156 38.237 ( 0.000 -0.172 1.984) 1.991 38.317 ( 0.000 -3.984 3.210) 5.116 39.002 ( 0.000 13.576 -11.455) 17.764 39.603 ( 0.000 -10.052 -21.810) 24.015 40.507 ( 0.000 5.159 16.939) 17.707 40.905 ( 0.000 -9.062 5.626) 10.667 ======================= Grid point 136 (52/120) ======================= q-point: ( 0.11 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 3.765 19.981 5.076) 20.956 2.559 ( 4.209 17.789 -6.207) 19.305 2.864 ( -3.318 -6.598 0.218) 7.388 3.018 ( 3.081 -1.015 -6.559) 7.317 3.275 ( 0.687 3.897 -4.530) 6.015 3.503 ( -4.150 -5.602 -3.934) 8.005 3.687 ( -5.242 4.336 -9.630) 11.791 3.916 ( 0.651 2.332 -3.941) 4.625 3.937 ( 3.141 1.901 -5.326) 6.469 4.326 ( 0.520 13.437 6.710) 15.029 4.436 ( 1.698 -11.892 -2.177) 12.208 4.720 ( -1.186 -2.582 -0.267) 2.853 5.385 ( 6.281 18.135 -7.019) 20.435 5.394 ( 4.696 13.481 -5.832) 15.421 5.849 ( 4.122 -5.928 -0.141) 7.221 5.967 ( 8.035 -4.528 -6.017) 11.012 6.062 ( 4.652 8.786 12.324) 15.835 6.351 ( 0.924 7.924 11.957) 14.374 6.525 ( 3.071 1.332 7.838) 8.523 6.719 ( 2.000 1.499 6.390) 6.861 6.873 ( 2.727 -16.093 7.272) 17.869 6.992 ( -0.921 -11.480 -1.838) 11.663 7.757 ( -0.056 11.019 -8.457) 13.891 8.029 ( 2.540 0.233 -12.963) 13.211 8.415 ( -3.060 19.272 5.250) 20.207 8.486 ( 1.099 6.823 8.477) 10.937 8.602 ( 2.103 8.705 5.038) 10.275 8.764 ( -1.941 -0.157 2.438) 3.120 9.031 ( 0.054 10.085 0.186) 10.087 9.279 ( -3.815 -2.614 -8.170) 9.388 9.317 ( -1.658 9.408 3.442) 10.154 9.570 ( -3.116 -7.399 4.514) 9.210 10.268 ( -3.152 8.740 1.070) 9.352 10.550 ( -2.753 -4.496 -0.788) 5.331 10.661 ( -4.242 7.624 -1.148) 8.800 10.920 ( -5.671 -2.706 -6.427) 8.988 17.004 ( 1.022 2.808 -7.719) 8.277 17.250 ( -0.556 -6.810 -8.640) 11.015 17.419 ( -0.161 0.611 1.313) 1.457 17.501 ( -2.408 -0.853 1.328) 2.879 17.663 ( 1.542 2.946 0.521) 3.366 17.756 ( 0.837 -1.047 -0.477) 1.422 17.835 ( -1.424 5.576 8.689) 10.422 17.890 ( 0.093 -0.331 3.685) 3.701 19.901 ( 9.888 0.095 0.125) 9.889 19.925 ( 12.163 -1.315 -0.221) 12.236 21.893 ( -3.835 0.435 0.215) 3.865 21.930 ( -3.566 -1.348 -0.334) 3.826 27.505 ( 0.867 -1.830 1.220) 2.365 27.617 ( 0.442 -6.925 -0.415) 6.951 27.775 ( -0.958 -2.223 0.333) 2.444 27.815 ( -1.443 -4.159 -0.268) 4.410 37.842 ( 5.293 7.220 2.869) 9.401 37.995 ( 5.213 -0.134 2.065) 5.608 38.261 ( 2.438 0.174 1.936) 3.118 38.355 ( 3.904 -4.409 2.818) 6.529 38.974 ( -2.774 13.069 -11.099) 17.369 39.552 ( -5.151 -9.408 -20.884) 23.477 40.408 ( -9.894 4.304 16.229) 19.488 40.744 ( -15.792 -6.367 6.185) 18.116 ======================= Grid point 137 (53/120) ======================= q-point: ( 0.22 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 5.738 14.662 0.019) 15.745 2.649 ( 3.602 9.555 -6.536) 12.124 2.795 ( -2.548 0.951 -3.771) 4.650 3.073 ( 1.022 0.411 -7.860) 7.936 3.295 ( 1.388 2.060 -1.675) 2.996 3.410 ( -3.881 -2.583 -2.156) 5.136 3.576 ( -5.725 8.712 -10.104) 14.518 3.922 ( -0.025 1.237 -7.070) 7.178 4.028 ( 5.951 -0.129 -0.644) 5.987 4.345 ( 1.316 4.836 3.915) 6.360 4.460 ( 0.712 -5.505 3.649) 6.642 4.686 ( -2.465 -1.724 -0.059) 3.009 5.494 ( 6.131 16.180 -2.453) 17.476 5.545 ( 7.711 20.641 -7.245) 23.195 5.974 ( 7.724 -3.089 2.581) 8.710 6.061 ( 2.933 9.987 0.351) 10.415 6.260 ( 12.576 -7.046 4.824) 15.202 6.391 ( 3.530 5.749 9.887) 11.970 6.617 ( 6.727 -0.381 6.900) 9.644 6.742 ( 0.440 -10.068 1.734) 10.226 6.967 ( -0.941 -10.660 0.461) 10.712 7.014 ( 11.289 -7.898 4.626) 14.534 7.773 ( 2.169 12.269 -5.933) 13.800 8.086 ( 2.431 0.664 -9.411) 9.742 8.334 ( -4.589 13.351 4.152) 14.716 8.469 ( -4.275 4.078 6.946) 9.119 8.629 ( -0.382 9.595 1.668) 9.747 8.743 ( 0.666 -0.113 4.116) 4.171 9.033 ( 0.145 10.801 0.008) 10.802 9.172 ( -6.394 2.691 -6.869) 9.762 9.272 ( -2.796 7.444 4.051) 8.924 9.500 ( -3.657 -7.097 2.961) 8.515 10.194 ( -3.812 9.250 1.047) 10.059 10.476 ( -4.588 -3.577 -0.958) 5.896 10.547 ( -6.974 7.351 -0.466) 10.144 10.771 ( -9.086 -0.459 -5.263) 10.510 17.035 ( 2.136 2.396 -6.378) 7.140 17.238 ( -0.568 -3.836 -6.737) 7.774 17.405 ( -1.384 -2.894 -0.134) 3.211 17.449 ( -2.584 -0.457 -0.013) 2.625 17.695 ( 1.555 3.378 1.357) 3.959 17.781 ( 1.600 -0.815 -0.182) 1.805 17.805 ( -1.391 6.407 7.157) 9.706 17.892 ( 0.127 -0.501 2.862) 2.908 20.169 ( 16.933 0.537 0.337) 16.945 20.242 ( 19.179 -3.684 -0.742) 19.543 21.778 ( -7.949 0.501 0.228) 7.968 21.823 ( -7.399 -1.688 -0.438) 7.602 27.530 ( 1.582 -1.999 1.101) 2.777 27.630 ( 0.826 -6.530 -0.363) 6.592 27.748 ( -1.776 -2.529 0.302) 3.105 27.779 ( -2.116 -3.949 -0.151) 4.482 37.995 ( 10.237 7.882 2.287) 13.120 38.144 ( 9.822 0.763 1.608) 9.982 38.335 ( 5.286 1.205 2.189) 5.847 38.470 ( 7.789 -5.631 1.873) 9.792 38.896 ( -5.080 11.635 -10.085) 16.214 39.407 ( -9.433 -7.556 -18.201) 21.848 40.135 ( -17.405 1.978 14.258) 22.587 40.328 ( -25.479 -0.788 7.243) 26.500 ======================= Grid point 138 (54/120) ======================= q-point: ( 0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 7.747 8.525 -2.901) 11.879 2.664 ( -0.510 -1.564 -6.048) 6.268 2.789 ( -0.224 9.436 -7.798) 12.243 3.015 ( -6.335 -0.200 -4.659) 7.867 3.282 ( -1.928 5.302 1.341) 5.799 3.441 ( 2.812 2.532 -13.418) 13.941 3.487 ( 0.438 8.323 -7.373) 11.127 3.903 ( -2.372 -2.238 -12.910) 13.315 4.162 ( 7.366 0.739 3.992) 8.410 4.377 ( 1.900 0.746 5.350) 5.726 4.463 ( -0.581 -1.027 6.600) 6.705 4.616 ( -4.575 -1.986 3.930) 6.350 5.609 ( 5.098 19.584 -0.223) 20.238 5.661 ( 3.927 24.196 -4.534) 24.928 6.095 ( 3.989 8.775 9.779) 13.731 6.143 ( 5.536 2.215 -1.437) 6.133 6.423 ( 4.439 -4.438 1.765) 6.520 6.494 ( 4.635 -5.547 3.473) 8.020 6.752 ( 1.704 -11.442 2.526) 11.841 6.796 ( 7.023 -12.825 3.384) 15.008 6.994 ( 8.297 2.563 1.079) 8.751 7.303 ( 17.149 -7.484 2.125) 18.831 7.856 ( 6.216 12.273 -3.650) 14.234 8.037 ( -9.309 9.438 -0.049) 13.256 8.270 ( -5.808 0.953 0.800) 5.940 8.356 ( -0.727 1.531 2.753) 3.233 8.556 ( -7.827 7.670 -0.078) 10.959 8.738 ( -2.880 -1.813 1.536) 3.734 9.044 ( 1.062 11.838 0.777) 11.911 9.091 ( -0.663 7.831 -2.470) 8.238 9.216 ( -2.312 6.099 3.559) 7.430 9.428 ( -3.852 -5.554 0.691) 6.795 10.142 ( -0.926 9.463 0.994) 9.560 10.374 ( -6.134 1.643 -1.072) 6.440 10.416 ( -5.162 3.751 0.196) 6.384 10.585 ( -9.329 1.561 -3.815) 10.200 17.086 ( 3.029 1.949 -4.828) 6.023 17.227 ( -0.730 -0.537 -4.566) 4.655 17.370 ( -1.837 -5.081 -1.645) 5.647 17.402 ( -2.244 -1.679 -1.804) 3.333 17.723 ( 1.283 4.456 2.272) 5.163 17.779 ( -1.016 6.711 5.358) 8.647 17.819 ( 1.982 -0.895 0.462) 2.223 17.892 ( -0.195 -0.840 1.927) 2.111 20.538 ( 20.127 0.863 0.447) 20.150 20.641 ( 20.784 -4.845 -1.083) 21.369 21.579 ( -12.415 0.614 0.262) 12.433 21.638 ( -11.466 -2.377 -0.621) 11.727 27.566 ( 2.070 -2.225 0.925) 3.177 27.649 ( 1.136 -5.951 -0.292) 6.065 27.706 ( -2.402 -2.695 0.360) 3.628 27.739 ( -1.933 -4.077 -0.101) 4.513 38.230 ( 13.029 8.464 -0.171) 15.538 38.360 ( 11.433 2.537 -0.385) 11.717 38.488 ( 11.321 2.823 4.374) 12.461 38.661 ( 11.726 -7.187 1.324) 13.817 38.781 ( -6.381 9.464 -8.494) 14.228 39.192 ( -12.229 -4.725 -13.897) 19.105 39.751 ( -21.203 -1.285 11.392) 24.104 39.795 ( -27.820 3.561 7.813) 29.115 ======================= Grid point 139 (55/120) ======================= q-point: ( 0.44 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 7.818 4.149 -3.545) 9.534 2.693 ( 3.172 0.859 -6.907) 7.649 2.733 ( -3.572 3.416 -4.707) 6.825 2.858 ( -9.170 -1.382 -4.343) 10.240 3.293 ( 3.191 11.881 -4.444) 13.080 3.376 ( -4.546 13.396 -10.836) 17.819 3.649 ( 9.791 -2.211 -14.049) 17.266 3.816 ( -6.690 -3.403 -16.851) 18.447 4.301 ( 6.400 1.730 7.294) 9.857 4.393 ( -2.130 3.944 8.818) 9.892 4.455 ( 1.587 -3.813 7.152) 8.259 4.522 ( -4.532 -2.430 7.928) 9.450 5.682 ( 2.366 23.174 0.204) 23.295 5.702 ( 0.418 25.108 -1.542) 25.159 6.169 ( 3.479 9.257 7.505) 12.415 6.207 ( 0.377 5.569 3.895) 6.806 6.492 ( 2.861 -6.755 -0.841) 7.384 6.528 ( -0.479 -9.132 -1.612) 9.286 6.787 ( 1.890 -14.253 2.578) 14.607 6.821 ( -1.418 -16.783 2.180) 16.983 7.330 ( 21.060 8.643 1.989) 22.851 7.630 ( 9.590 -0.223 -0.626) 9.613 7.771 ( -10.203 3.228 3.625) 11.299 7.952 ( -5.294 2.523 -1.416) 6.033 8.125 ( 1.845 9.088 3.729) 9.995 8.326 ( -12.811 9.415 -0.291) 15.901 8.477 ( 8.050 -3.986 -1.677) 9.138 8.636 ( -7.125 -1.345 -0.843) 7.300 9.061 ( 1.031 12.225 1.896) 12.414 9.089 ( -1.370 9.196 2.077) 9.527 9.237 ( 4.751 2.803 0.131) 5.518 9.342 ( -5.078 -2.448 -0.524) 5.662 10.165 ( 3.058 8.444 0.788) 9.015 10.252 ( -5.633 6.439 0.244) 8.558 10.366 ( 0.163 1.564 -1.017) 1.873 10.429 ( -6.077 2.319 -2.350) 6.916 17.149 ( 3.161 1.800 -3.431) 5.000 17.202 ( -2.049 1.658 -2.970) 3.970 17.348 ( -0.163 -5.391 -3.210) 6.276 17.363 ( -1.591 -3.650 -3.075) 5.031 17.744 ( 0.971 5.617 3.248) 6.561 17.762 ( -0.840 6.476 4.268) 7.801 17.856 ( 1.663 -1.171 0.709) 2.154 17.882 ( -0.912 -1.132 1.190) 1.878 20.933 ( 19.691 0.923 0.421) 19.717 21.034 ( 18.993 -4.505 -1.088) 19.550 21.293 ( -16.690 0.784 0.339) 16.711 21.374 ( -15.523 -3.436 -0.870) 15.922 27.609 ( 2.364 -2.445 0.722) 3.477 27.657 ( -2.513 -2.623 0.519) 3.669 27.674 ( 1.392 -5.274 -0.212) 5.458 27.704 ( -1.646 -4.607 -0.143) 4.894 38.454 ( 9.180 7.660 -5.007) 12.962 38.568 ( 3.973 8.918 -4.149) 10.608 38.673 ( 3.389 1.671 -4.613) 5.963 38.800 ( 17.088 7.329 4.498) 19.130 38.881 ( -0.214 -4.864 -2.149) 5.322 38.987 ( 2.729 -4.329 -1.821) 5.432 39.271 ( -23.728 4.076 7.901) 25.339 39.341 ( -20.088 -4.800 7.619) 22.015 ======================= Grid point 144 (56/120) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 0.000 -16.320 3.358) 16.662 2.569 ( 0.000 16.320 3.358) 16.662 2.880 ( 0.000 -8.744 -4.724) 9.938 2.880 ( 0.000 8.744 -4.724) 9.938 3.390 ( 0.000 -7.464 -6.319) 9.779 3.390 ( 0.000 7.464 -6.319) 9.779 3.815 ( 0.000 -4.193 -9.788) 10.648 3.815 ( 0.000 4.193 -9.788) 10.648 4.125 ( 0.000 -12.855 -5.228) 13.877 4.125 ( 0.000 12.855 -5.228) 13.877 4.612 ( 0.000 -9.715 5.419) 11.124 4.612 ( 0.000 9.715 5.419) 11.124 5.543 ( 0.000 -1.321 -2.380) 2.723 5.543 ( 0.000 1.321 -2.380) 2.723 5.699 ( 0.000 -1.343 -5.119) 5.292 5.699 ( 0.000 1.343 -5.119) 5.292 6.342 ( 0.000 -16.831 7.877) 18.583 6.342 ( 0.000 16.831 7.877) 18.583 6.537 ( 0.000 -10.592 10.581) 14.971 6.537 ( 0.000 10.592 10.581) 14.971 6.823 ( 0.000 -6.290 2.103) 6.632 6.823 ( 0.000 6.290 2.103) 6.632 7.939 ( 0.000 -6.837 -12.934) 14.630 7.939 ( 0.000 6.837 -12.934) 14.630 8.570 ( 0.000 -3.735 10.542) 11.184 8.570 ( 0.000 3.735 10.542) 11.184 8.742 ( 0.000 -5.901 2.129) 6.273 8.742 ( 0.000 5.901 2.129) 6.273 9.192 ( 0.000 -7.155 -2.908) 7.723 9.192 ( 0.000 7.155 -2.908) 7.723 9.502 ( 0.000 -5.031 3.319) 6.027 9.502 ( 0.000 5.031 3.319) 6.027 10.460 ( 0.000 -7.121 1.118) 7.208 10.460 ( 0.000 7.121 1.118) 7.208 10.866 ( 0.000 -7.509 -4.543) 8.777 10.866 ( 0.000 7.509 -4.543) 8.777 17.094 ( 0.000 -6.957 -10.229) 12.371 17.094 ( 0.000 6.957 -10.229) 12.371 17.472 ( 0.000 -3.277 1.349) 3.544 17.472 ( 0.000 3.277 1.349) 3.544 17.707 ( 0.000 -2.699 -0.713) 2.792 17.707 ( 0.000 2.699 -0.713) 2.792 17.904 ( 0.000 -0.276 8.673) 8.677 17.904 ( 0.000 0.276 8.673) 8.677 19.801 ( 0.000 -0.228 0.024) 0.230 19.801 ( 0.000 0.228 0.024) 0.230 21.943 ( 0.000 -0.883 -0.041) 0.884 21.943 ( 0.000 0.883 -0.041) 0.884 27.509 ( 0.000 -3.056 0.472) 3.092 27.509 ( 0.000 3.056 0.472) 3.092 27.774 ( 0.000 -1.176 0.001) 1.176 27.774 ( 0.000 1.176 0.001) 1.176 37.899 ( 0.000 -3.943 2.814) 4.844 37.899 ( 0.000 3.943 2.814) 4.844 38.255 ( 0.000 -2.072 2.550) 3.286 38.255 ( 0.000 2.072 2.550) 3.286 39.308 ( 0.000 -16.580 -15.875) 22.955 39.308 ( 0.000 16.580 -15.875) 22.955 40.699 ( 0.000 -11.272 10.227) 15.220 40.699 ( 0.000 11.272 10.227) 15.220 ======================= Grid point 146 (57/120) ======================= q-point: ( 0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -0.281 -14.714 1.657) 14.809 2.567 ( -0.281 14.714 1.657) 14.809 2.917 ( 3.326 -9.303 -5.936) 11.526 2.917 ( 3.326 9.303 -5.936) 11.526 3.376 ( -1.327 -6.162 -4.869) 7.965 3.376 ( -1.327 6.162 -4.869) 7.965 3.802 ( -1.056 -6.905 -9.397) 11.709 3.802 ( -1.056 6.905 -9.397) 11.709 4.129 ( 0.463 -12.769 -3.818) 13.336 4.129 ( 0.463 12.769 -3.818) 13.336 4.614 ( 0.079 -9.000 5.159) 10.374 4.614 ( 0.079 9.000 5.159) 10.374 5.602 ( 5.740 -3.546 -2.173) 7.088 5.602 ( 5.740 3.546 -2.173) 7.088 5.788 ( 8.611 -7.000 -6.167) 12.696 5.788 ( 8.611 7.000 -6.167) 12.696 6.361 ( 1.721 -16.810 7.918) 18.661 6.361 ( 1.721 16.810 7.918) 18.661 6.539 ( 0.254 -10.156 10.342) 14.497 6.539 ( 0.254 10.156 10.342) 14.497 6.833 ( 1.373 -4.463 2.060) 5.104 6.833 ( 1.373 4.463 2.060) 5.104 7.952 ( 1.289 -7.508 -11.779) 14.028 7.952 ( 1.289 7.508 -11.779) 14.028 8.559 ( -1.621 -1.745 9.063) 9.371 8.559 ( -1.621 1.745 9.063) 9.371 8.736 ( -0.372 -4.026 2.988) 5.027 8.736 ( -0.372 4.026 2.988) 5.027 9.189 ( -0.391 -6.349 -3.507) 7.264 9.189 ( -0.391 6.349 -3.507) 7.264 9.469 ( -3.202 -4.643 3.834) 6.820 9.469 ( -3.202 4.643 3.834) 6.820 10.433 ( -2.602 -7.324 1.109) 7.851 10.433 ( -2.602 7.324 1.109) 7.851 10.821 ( -4.459 -7.227 -4.304) 9.521 10.821 ( -4.459 7.227 -4.304) 9.521 17.100 ( 0.682 -6.725 -9.711) 11.832 17.100 ( 0.682 6.725 -9.711) 11.832 17.454 ( -1.794 -2.825 0.945) 3.477 17.454 ( -1.794 2.825 0.945) 3.477 17.721 ( 1.309 -2.438 -0.318) 2.785 17.721 ( 1.309 2.438 -0.318) 2.785 17.898 ( -0.512 -0.734 8.013) 8.063 17.898 ( -0.512 0.734 8.013) 8.063 19.907 ( 10.543 -0.569 0.018) 10.559 19.907 ( 10.543 0.569 0.018) 10.559 21.906 ( -3.741 -0.951 -0.052) 3.860 21.906 ( -3.741 0.951 -0.052) 3.860 27.516 ( 0.696 -2.946 0.459) 3.062 27.516 ( 0.696 2.946 0.459) 3.062 27.762 ( -1.205 -1.045 0.028) 1.595 27.762 ( -1.205 1.045 0.028) 1.595 37.953 ( 5.520 -3.929 2.750) 7.313 37.953 ( 5.520 3.929 2.750) 7.313 38.286 ( 3.123 -2.427 2.313) 4.582 38.286 ( 3.123 2.427 2.313) 4.582 39.270 ( -3.869 -15.981 -15.320) 22.474 39.270 ( -3.869 15.981 -15.320) 22.474 40.578 ( -12.073 -9.831 10.128) 18.574 40.578 ( -12.073 9.831 10.128) 18.574 ======================= Grid point 148 (58/120) ======================= q-point: ( 0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -0.031 -10.708 -1.409) 10.801 2.561 ( -0.031 10.708 -1.409) 10.801 2.982 ( 2.220 -9.454 -9.338) 13.472 2.982 ( 2.220 9.454 -9.338) 13.472 3.347 ( -0.947 -3.158 -1.797) 3.755 3.347 ( -0.947 3.158 -1.797) 3.755 3.780 ( -1.373 -11.087 -9.779) 14.847 3.780 ( -1.373 11.087 -9.779) 14.847 4.154 ( 2.537 -11.149 -0.837) 11.464 4.154 ( 2.537 11.149 -0.837) 11.464 4.609 ( -0.865 -7.037 5.864) 9.201 4.609 ( -0.865 7.037 5.864) 9.201 5.750 ( 8.769 -6.742 -1.686) 11.189 5.750 ( 8.769 6.742 -1.686) 11.189 5.992 ( 10.651 -11.225 -8.246) 17.534 5.992 ( 10.651 11.225 -8.246) 17.534 6.401 ( 2.176 -16.309 7.892) 18.248 6.401 ( 2.176 16.309 7.892) 18.248 6.548 ( 0.643 -8.695 9.621) 12.984 6.548 ( 0.643 8.695 9.621) 12.984 6.905 ( 7.011 -2.926 2.106) 7.883 6.905 ( 7.011 2.926 2.106) 7.883 7.993 ( 3.041 -8.640 -9.033) 12.864 7.993 ( 3.041 8.640 -9.033) 12.864 8.480 ( -6.764 -2.964 5.908) 9.457 8.480 ( -6.764 2.964 5.908) 9.457 8.732 ( -0.553 -2.025 4.277) 4.764 8.732 ( -0.553 2.025 4.277) 4.764 9.175 ( -0.948 -3.962 -4.280) 5.908 9.175 ( -0.948 3.962 -4.280) 5.908 9.393 ( -4.058 -4.583 4.764) 7.757 9.393 ( -4.058 4.583 4.764) 7.757 10.369 ( -3.437 -7.393 1.010) 8.215 10.369 ( -3.437 7.393 1.010) 8.215 10.702 ( -7.424 -6.526 -3.598) 10.519 10.702 ( -7.424 6.526 -3.598) 10.519 17.121 ( 1.517 -6.036 -8.379) 10.438 17.121 ( 1.517 6.036 -8.379) 10.438 17.407 ( -2.881 -2.349 -0.048) 3.717 17.407 ( -2.881 2.349 -0.048) 3.717 17.753 ( 1.924 -2.198 0.549) 2.972 17.753 ( 1.924 2.198 0.549) 2.972 17.887 ( -0.653 -1.631 6.496) 6.729 17.887 ( -0.653 1.631 6.496) 6.729 20.190 ( 17.665 -1.706 -0.038) 17.747 20.190 ( 17.665 1.706 -0.038) 17.747 21.794 ( -7.778 -1.146 -0.084) 7.863 21.794 ( -7.778 1.146 -0.084) 7.863 27.536 ( 1.283 -2.642 0.421) 2.967 27.536 ( 1.283 2.642 0.421) 2.967 27.730 ( -1.991 -0.814 0.093) 2.153 27.730 ( -1.991 0.814 0.093) 2.153 38.112 ( 10.552 -3.834 2.278) 11.456 38.112 ( 10.552 3.834 2.278) 11.456 38.379 ( 6.447 -3.384 1.921) 7.531 38.379 ( 6.447 3.384 1.921) 7.531 39.161 ( -7.057 -14.301 -13.735) 21.048 39.161 ( -7.057 14.301 -13.735) 21.048 40.249 ( -20.794 -6.404 9.747) 23.841 40.249 ( -20.794 6.404 9.747) 23.841 ======================= Grid point 150 (59/120) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 2.395 -5.917 -3.377) 7.222 2.580 ( 2.395 5.917 -3.377) 7.222 2.955 ( -5.288 -5.937 -8.073) 11.331 2.955 ( -5.288 5.937 -8.073) 11.331 3.382 ( 4.925 -4.732 -5.095) 8.521 3.382 ( 4.925 4.732 -5.095) 8.521 3.736 ( -3.334 -12.597 -13.006) 18.411 3.736 ( -3.334 12.597 -13.006) 18.411 4.236 ( 5.633 -7.507 3.918) 10.170 4.236 ( 5.633 7.507 3.918) 10.170 4.569 ( -3.325 -4.462 8.123) 9.846 4.569 ( -3.325 4.462 8.123) 9.846 5.925 ( 8.700 -8.277 -1.565) 12.110 5.925 ( 8.700 8.277 -1.565) 12.110 6.149 ( 4.477 -11.832 -8.741) 15.376 6.149 ( 4.477 11.832 -8.741) 15.376 6.442 ( 2.175 -14.071 7.339) 16.018 6.442 ( 2.175 14.071 7.339) 16.018 6.557 ( 0.033 -5.478 8.677) 10.262 6.557 ( 0.033 5.478 8.677) 10.262 7.135 ( 16.328 -8.668 1.582) 18.554 7.135 ( 16.328 8.668 1.582) 18.554 8.058 ( 1.622 -6.323 -5.949) 8.832 8.058 ( 1.622 6.323 -5.949) 8.832 8.311 ( -8.314 -4.036 4.284) 10.186 8.311 ( -8.314 4.036 4.284) 10.186 8.680 ( -5.401 -4.704 3.012) 7.770 8.680 ( -5.401 4.704 3.012) 7.770 9.168 ( 0.719 -1.204 -2.575) 2.932 9.168 ( 0.719 1.204 -2.575) 2.932 9.322 ( -3.152 -4.883 3.979) 7.043 9.322 ( -3.152 4.883 3.979) 7.043 10.316 ( -1.527 -6.424 0.683) 6.638 10.316 ( -1.527 6.424 0.683) 6.638 10.547 ( -7.974 -5.628 -2.479) 10.070 10.547 ( -7.974 5.628 -2.479) 10.070 17.160 ( 2.394 -4.992 -6.659) 8.660 17.160 ( 2.394 4.992 -6.659) 8.660 17.345 ( -3.362 -2.429 -1.427) 4.386 17.345 ( -3.362 2.429 -1.427) 4.386 17.792 ( 1.947 -2.271 1.531) 3.360 17.792 ( 1.947 2.271 1.531) 3.361 17.873 ( -0.783 -2.341 4.894) 5.482 17.873 ( -0.783 2.341 4.894) 5.482 20.570 ( 20.407 -2.431 -0.128) 20.552 20.570 ( 20.407 2.431 -0.128) 20.552 21.600 ( -12.130 -1.495 -0.131) 12.222 21.600 ( -12.130 1.495 -0.131) 12.222 27.565 ( 1.713 -2.210 0.367) 2.820 27.565 ( 1.713 2.210 0.367) 2.820 27.688 ( -2.267 -0.868 0.169) 2.434 27.688 ( -2.267 0.868 0.169) 2.434 38.351 ( 12.968 -3.531 -0.240) 13.442 38.351 ( 12.968 3.531 -0.240) 13.442 38.549 ( 11.445 -4.023 3.060) 12.512 38.549 ( 11.445 4.023 3.060) 12.512 39.002 ( -8.947 -11.805 -11.286) 18.622 39.002 ( -8.947 11.805 -11.286) 18.622 39.795 ( -24.705 -2.747 8.977) 26.428 39.795 ( -24.705 2.747 8.977) 26.428 ======================= Grid point 152 (60/120) ======================= q-point: ( 0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 6.162 -2.584 -4.004) 7.790 2.664 ( 6.162 2.584 -4.004) 7.790 2.811 ( -8.274 -3.323 -4.857) 10.153 2.811 ( -8.274 3.323 -4.857) 10.153 3.512 ( 7.381 -9.281 -11.843) 16.760 3.512 ( 7.381 9.281 -11.843) 16.760 3.646 ( -5.908 -11.758 -14.716) 19.741 3.646 ( -5.908 11.758 -14.716) 19.741 4.359 ( 6.542 -4.362 8.186) 11.350 4.359 ( 6.542 4.362 8.186) 11.350 4.480 ( -5.586 -3.134 9.637) 11.572 4.480 ( -5.586 3.134 9.637) 11.572 6.076 ( 6.389 -9.020 -2.843) 11.413 6.076 ( 6.389 9.020 -2.843) 11.413 6.165 ( -2.359 -9.944 -5.790) 11.746 6.165 ( -2.359 9.944 -5.790) 11.746 6.492 ( 2.836 -10.462 6.328) 12.551 6.492 ( 2.836 10.462 6.328) 12.551 6.541 ( -1.787 -7.360 7.130) 10.402 6.541 ( -1.787 7.360 7.130) 10.402 7.507 ( 20.395 -8.760 0.701) 22.208 7.507 ( 20.395 8.760 0.701) 22.208 7.887 ( -17.088 -6.363 -0.403) 18.239 7.887 ( -17.088 6.363 -0.403) 18.239 8.331 ( 8.427 -9.909 0.766) 13.031 8.331 ( 8.427 9.909 0.766) 13.031 8.523 ( -9.880 -8.766 1.482) 13.291 8.523 ( -9.880 8.766 1.482) 13.291 9.205 ( 2.752 -1.644 -0.119) 3.208 9.205 ( 2.752 1.644 -0.119) 3.208 9.263 ( -2.990 -3.829 1.886) 5.212 9.263 ( -2.990 3.829 1.886) 5.212 10.323 ( 2.311 -4.938 -0.018) 5.452 10.323 ( 2.311 4.938 -0.018) 5.452 10.406 ( -6.022 -4.776 -1.157) 7.772 10.406 ( -6.022 4.776 -1.157) 7.772 17.214 ( 3.074 -3.853 -4.844) 6.911 17.214 ( 3.074 3.853 -4.844) 6.911 17.278 ( -3.409 -2.940 -3.067) 5.447 17.278 ( -3.409 2.940 -3.067) 5.447 17.827 ( 1.611 -2.505 2.516) 3.899 17.827 ( 1.611 2.505 2.516) 3.899 17.854 ( -1.142 -2.613 3.580) 4.577 17.854 ( -1.142 2.613 3.580) 4.577 20.966 ( 19.535 -2.438 -0.182) 19.687 20.966 ( 19.535 2.438 -0.182) 19.687 21.320 ( -16.355 -1.997 -0.174) 16.477 21.320 ( -16.355 1.997 -0.174) 16.477 27.602 ( 2.010 -1.723 0.306) 2.665 27.602 ( 2.010 1.723 0.306) 2.665 27.643 ( -2.212 -1.244 0.241) 2.550 27.643 ( -2.212 1.244 0.241) 2.550 38.587 ( 10.966 -5.457 -4.994) 13.228 38.587 ( 10.966 5.457 -4.994) 13.228 38.768 ( -2.912 -6.691 -4.292) 8.466 38.768 ( -2.912 6.691 -4.292) 8.466 38.900 ( 12.418 -3.774 2.158) 13.157 38.900 ( 12.418 3.774 2.158) 13.157 39.311 ( -24.047 -0.709 7.793) 25.288 39.311 ( -24.047 0.709 7.793) 25.288 ======================= Grid point 198 (61/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.000 0.000 29.207) 29.207 1.359 ( 0.000 0.000 31.326) 31.326 2.218 ( 0.000 0.000 44.126) 44.126 2.344 ( 0.000 0.000 -27.071) 27.071 2.589 ( 0.000 0.000 -15.501) 15.501 3.199 ( 0.000 0.000 1.456) 1.456 3.289 ( 0.000 0.000 -2.023) 2.023 3.567 ( 0.000 0.000 -3.956) 3.956 3.632 ( 0.000 0.000 3.667) 3.667 3.861 ( 0.000 0.000 13.937) 13.937 4.226 ( 0.000 0.000 -5.763) 5.763 4.413 ( 0.000 0.000 -35.302) 35.302 4.627 ( 0.000 0.000 15.448) 15.448 5.353 ( 0.000 0.000 -16.321) 16.321 5.446 ( 0.000 0.000 19.488) 19.488 6.022 ( 0.000 0.000 8.229) 8.229 6.038 ( 0.000 0.000 14.659) 14.659 6.154 ( 0.000 0.000 11.325) 11.325 6.311 ( 0.000 0.000 -15.162) 15.162 6.401 ( 0.000 0.000 -6.273) 6.273 6.447 ( 0.000 0.000 14.408) 14.408 6.678 ( 0.000 0.000 3.969) 3.969 6.869 ( 0.000 0.000 0.766) 0.766 6.983 ( 0.000 0.000 -5.077) 5.077 7.157 ( 0.000 0.000 -13.950) 13.950 7.601 ( 0.000 0.000 10.765) 10.765 7.614 ( 0.000 0.000 -29.328) 29.328 7.978 ( 0.000 0.000 -4.866) 4.866 9.076 ( 0.000 0.000 11.227) 11.227 9.404 ( 0.000 0.000 16.044) 16.044 9.574 ( 0.000 0.000 -10.688) 10.688 9.998 ( 0.000 0.000 -11.090) 11.090 10.507 ( 0.000 0.000 7.927) 7.927 10.699 ( 0.000 0.000 -2.136) 2.136 10.831 ( 0.000 0.000 8.500) 8.500 11.297 ( 0.000 0.000 -10.474) 10.474 16.666 ( 0.000 0.000 4.724) 4.724 16.858 ( 0.000 0.000 -3.826) 3.826 17.164 ( 0.000 0.000 5.233) 5.233 17.397 ( 0.000 0.000 -5.060) 5.060 17.492 ( 0.000 0.000 12.178) 12.178 18.047 ( 0.000 0.000 -12.411) 12.411 18.069 ( 0.000 0.000 5.075) 5.075 18.309 ( 0.000 0.000 -5.279) 5.279 19.796 ( 0.000 0.000 0.361) 0.361 19.811 ( 0.000 0.000 -0.329) 0.329 21.953 ( 0.000 0.000 1.270) 1.270 22.015 ( 0.000 0.000 -1.474) 1.474 27.904 ( 0.000 0.000 3.485) 3.485 28.064 ( 0.000 0.000 -3.546) 3.546 28.071 ( 0.000 0.000 1.918) 1.918 28.152 ( 0.000 0.000 -1.670) 1.670 37.332 ( 0.000 0.000 4.646) 4.646 37.549 ( 0.000 0.000 -4.941) 4.941 38.222 ( 0.000 0.000 1.989) 1.989 38.305 ( 0.000 0.000 -1.712) 1.712 38.653 ( 0.000 0.000 3.825) 3.825 38.813 ( 0.000 0.000 -3.194) 3.194 41.497 ( 0.000 0.000 2.889) 2.889 41.625 ( 0.000 0.000 -2.735) 2.735 ======================= Grid point 199 (62/120) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 9.154 0.000 26.210) 27.763 1.346 ( 0.489 0.000 29.361) 29.365 2.347 ( 6.991 0.000 12.448) 14.277 2.361 ( 1.743 0.000 -25.917) 25.976 2.630 ( 8.860 0.000 9.488) 12.982 3.142 ( -5.661 0.000 2.015) 6.009 3.256 ( -3.477 0.000 -2.639) 4.365 3.427 ( -11.491 0.000 4.615) 12.383 3.650 ( -1.227 0.000 -5.435) 5.572 3.890 ( 2.940 0.000 14.203) 14.504 4.228 ( 0.190 0.000 -3.694) 3.699 4.321 ( -4.124 0.000 -20.833) 21.237 4.772 ( 9.822 0.000 -0.193) 9.824 5.320 ( -3.448 0.000 -14.012) 14.430 5.498 ( 5.007 0.000 18.363) 19.033 5.993 ( 0.134 0.000 12.490) 12.491 6.142 ( 6.840 0.000 9.919) 12.049 6.161 ( 1.439 0.000 12.842) 12.923 6.350 ( 3.867 0.000 -14.989) 15.480 6.448 ( 2.750 0.000 9.923) 10.297 6.454 ( 0.642 0.000 13.378) 13.393 6.742 ( 6.197 0.000 -7.750) 9.923 6.908 ( 4.480 0.000 0.311) 4.491 7.031 ( 5.004 0.000 -4.733) 6.888 7.186 ( 2.827 0.000 -13.862) 14.148 7.584 ( -2.982 0.000 -28.969) 29.122 7.746 ( 11.819 0.000 5.559) 13.061 8.033 ( 6.826 0.000 -5.094) 8.518 9.011 ( -6.656 0.000 11.031) 12.883 9.374 ( -2.892 0.000 15.834) 16.096 9.500 ( -7.475 0.000 -10.544) 12.924 9.946 ( -5.078 0.000 -10.059) 11.268 10.481 ( -2.666 0.000 7.319) 7.790 10.642 ( -5.649 0.000 -0.702) 5.692 10.798 ( -3.196 0.000 6.273) 7.040 11.143 ( -13.024 0.000 -4.696) 13.845 16.681 ( 1.459 0.000 4.722) 4.942 16.873 ( 1.483 0.000 -3.829) 4.106 17.150 ( -1.452 0.000 5.179) 5.378 17.380 ( -1.676 0.000 -5.011) 5.284 17.496 ( 0.490 0.000 12.086) 12.096 17.967 ( -7.030 0.000 6.086) 9.298 18.057 ( 0.396 0.000 -10.625) 10.632 18.278 ( -2.911 0.000 -6.246) 6.890 19.932 ( 11.780 0.000 1.201) 11.841 20.106 ( 25.833 0.000 -10.664) 27.948 21.917 ( -3.661 0.000 1.339) 3.899 21.985 ( -3.030 0.000 -1.668) 3.459 27.912 ( 0.736 0.000 3.294) 3.375 28.056 ( -0.553 0.000 -1.682) 1.770 28.075 ( 0.195 0.000 -0.462) 0.502 28.135 ( -1.599 0.000 -1.502) 2.194 37.354 ( 2.243 0.000 4.626) 5.141 37.570 ( 2.142 0.000 -4.928) 5.373 38.189 ( -3.266 0.000 2.266) 3.975 38.284 ( -2.131 0.000 -1.978) 2.907 38.706 ( 5.365 0.000 3.097) 6.195 38.828 ( 1.545 0.000 -2.258) 2.736 41.154 ( -38.869 0.000 15.828) 41.968 41.359 ( -15.446 0.000 0.518) 15.455 ======================= Grid point 200 (63/120) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 10.721 0.000 17.631) 20.635 1.458 ( 14.879 0.000 19.979) 24.911 2.355 ( -2.516 0.000 -19.002) 19.167 2.413 ( 3.595 0.000 -22.747) 23.030 2.985 ( -10.139 0.000 3.112) 10.606 3.013 ( 24.181 0.000 29.282) 37.975 3.151 ( -7.067 0.000 -3.785) 8.017 3.162 ( -13.590 0.000 7.847) 15.693 3.523 ( -11.519 0.000 -9.357) 14.840 3.968 ( 4.689 0.000 14.556) 15.293 4.233 ( 0.223 0.000 0.975) 1.000 4.350 ( 7.046 0.000 -14.819) 16.409 4.922 ( 4.326 0.000 -4.903) 6.539 5.218 ( -6.756 0.000 -8.630) 10.960 5.623 ( 7.239 0.000 16.511) 18.028 6.019 ( 1.937 0.000 13.539) 13.677 6.211 ( 3.325 0.000 17.023) 17.345 6.268 ( 5.334 0.000 8.183) 9.768 6.444 ( 3.038 0.000 -3.993) 5.017 6.477 ( 0.371 0.000 21.738) 21.741 6.481 ( 4.706 0.000 -1.663) 4.991 6.887 ( 7.736 0.000 -14.975) 16.855 7.064 ( 11.374 0.000 -0.325) 11.379 7.184 ( 10.495 0.000 -4.010) 11.235 7.251 ( 3.035 0.000 -14.111) 14.434 7.508 ( -3.874 0.000 -27.282) 27.556 7.945 ( 8.800 0.000 6.405) 10.884 8.270 ( 14.834 0.000 -7.400) 16.577 8.820 ( -12.598 0.000 10.404) 16.339 9.285 ( -14.355 0.000 -10.101) 17.553 9.304 ( -3.774 0.000 14.755) 15.230 9.813 ( -8.081 0.000 -7.631) 11.114 10.407 ( -4.701 0.000 5.720) 7.404 10.503 ( -7.377 0.000 1.191) 7.473 10.713 ( -5.325 0.000 2.619) 5.935 10.894 ( -11.124 0.000 -1.704) 11.253 16.722 ( 2.720 0.000 4.714) 5.442 16.914 ( 2.603 0.000 -3.720) 4.540 17.110 ( -2.520 0.000 4.906) 5.516 17.333 ( -3.105 0.000 -4.865) 5.772 17.517 ( 1.700 0.000 11.210) 11.338 17.849 ( -4.824 0.000 6.798) 8.336 18.069 ( 0.785 0.000 -10.791) 10.819 18.214 ( -3.223 0.000 -7.682) 8.331 20.237 ( 18.400 0.000 3.697) 18.768 20.618 ( 24.170 0.000 -18.026) 30.151 21.808 ( -7.539 0.000 1.609) 7.709 21.897 ( -5.847 0.000 -2.371) 6.309 27.932 ( 1.267 0.000 2.701) 2.983 28.045 ( -0.582 0.000 -1.669) 1.768 28.075 ( -0.216 0.000 -1.142) 1.162 28.100 ( -1.699 0.000 -1.311) 2.146 37.418 ( 4.318 0.000 4.545) 6.269 37.631 ( 3.996 0.000 -4.864) 6.295 38.100 ( -5.646 0.000 2.870) 6.333 38.221 ( -4.217 0.000 -2.556) 4.931 38.863 ( 10.582 0.000 1.078) 10.637 38.876 ( 3.638 0.000 0.538) 3.678 40.366 ( -36.959 0.000 30.999) 48.238 40.964 ( -24.063 0.000 -4.131) 24.415 ======================= Grid point 201 (64/120) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 18.206 0.000 4.561) 18.768 1.778 ( 17.287 0.000 13.839) 22.144 2.342 ( 2.323 0.000 -18.218) 18.365 2.502 ( 5.283 0.000 -18.605) 19.341 2.754 ( -13.163 0.000 4.859) 14.031 2.831 ( -16.869 0.000 3.638) 17.257 2.990 ( -9.064 0.000 -5.314) 10.507 3.196 ( -16.824 0.000 -11.411) 20.329 3.595 ( 27.082 0.000 24.817) 36.733 4.062 ( 4.713 0.000 14.273) 15.032 4.230 ( -0.671 0.000 5.972) 6.009 4.541 ( 10.641 0.000 -12.875) 16.703 4.890 ( -8.307 0.000 1.236) 8.398 5.091 ( -5.143 0.000 -6.919) 8.621 5.768 ( 7.339 0.000 15.659) 17.294 6.042 ( -0.169 0.000 14.766) 14.767 6.283 ( 3.980 0.000 20.107) 20.497 6.344 ( 2.799 0.000 6.230) 6.830 6.452 ( -0.539 0.000 3.907) 3.944 6.469 ( -1.163 0.000 23.528) 23.557 6.647 ( 10.319 0.000 -15.951) 18.997 7.027 ( 6.518 0.000 -15.284) 16.616 7.230 ( -2.110 0.000 -15.108) 15.254 7.278 ( -0.539 0.000 -14.591) 14.601 7.403 ( 14.416 0.000 -1.478) 14.492 7.591 ( 16.518 0.000 -11.461) 20.105 8.136 ( 10.819 0.000 11.011) 15.436 8.496 ( 6.399 0.000 -2.454) 6.854 8.527 ( -17.020 0.000 9.213) 19.354 8.946 ( -20.002 0.000 -9.333) 22.073 9.260 ( 0.319 0.000 10.372) 10.377 9.646 ( -8.663 0.000 -4.883) 9.944 10.322 ( -3.034 0.000 3.022) 4.282 10.392 ( -3.717 0.000 -0.012) 3.717 10.602 ( -5.535 0.000 -0.192) 5.538 10.709 ( -8.065 0.000 -3.391) 8.749 16.785 ( 3.626 0.000 4.690) 5.928 16.963 ( 1.551 0.000 -1.768) 2.352 17.063 ( -1.376 0.000 2.708) 3.038 17.261 ( -4.083 0.000 -4.625) 6.169 17.562 ( 2.846 0.000 9.614) 10.027 17.768 ( -3.763 0.000 6.192) 7.246 18.086 ( 0.927 0.000 -10.230) 10.272 18.161 ( -2.163 0.000 -8.589) 8.857 20.621 ( 20.196 0.000 4.845) 20.769 21.028 ( 17.931 0.000 -15.765) 23.876 21.620 ( -11.696 0.000 2.271) 11.914 21.758 ( -8.300 0.000 -3.962) 9.198 27.959 ( 1.461 0.000 1.681) 2.227 28.032 ( -0.808 0.000 -1.746) 1.924 28.064 ( -0.704 0.000 -0.634) 0.947 28.078 ( -0.610 0.000 -1.417) 1.543 37.520 ( 6.008 0.000 4.334) 7.408 37.721 ( 4.878 0.000 -4.548) 6.670 37.977 ( -6.492 0.000 3.345) 7.303 38.122 ( -5.757 0.000 -3.125) 6.550 38.969 ( 6.148 0.000 5.243) 8.080 39.125 ( 15.873 0.000 -1.751) 15.969 39.766 ( -24.430 0.000 28.108) 37.241 40.458 ( -26.649 0.000 -7.097) 27.578 ======================= Grid point 202 (65/120) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 18.232 0.000 -1.464) 18.290 2.121 ( 17.425 0.000 8.711) 19.481 2.407 ( -5.555 0.000 -8.099) 9.820 2.447 ( -15.231 0.000 3.121) 15.547 2.571 ( 0.623 0.000 -6.246) 6.277 2.649 ( 6.840 0.000 -9.818) 11.965 2.810 ( -9.018 0.000 -7.811) 11.930 2.836 ( -18.315 0.000 -12.589) 22.225 4.117 ( 25.005 0.000 16.291) 29.844 4.145 ( 3.656 0.000 12.862) 13.371 4.203 ( -2.164 0.000 10.083) 10.312 4.542 ( -16.601 0.000 3.374) 16.941 4.821 ( 7.887 0.000 -3.972) 8.831 4.982 ( -6.999 0.000 -7.413) 10.195 5.903 ( 6.202 0.000 15.757) 16.934 6.003 ( -3.787 0.000 15.765) 16.214 6.362 ( 3.945 0.000 21.948) 22.299 6.392 ( 2.267 0.000 3.534) 4.198 6.430 ( -2.798 0.000 23.070) 23.239 6.431 ( -1.606 0.000 2.432) 2.915 6.863 ( 11.387 0.000 -18.832) 22.007 7.079 ( -10.273 0.000 -20.598) 23.018 7.143 ( 5.358 0.000 -14.749) 15.692 7.234 ( -3.701 0.000 -14.551) 15.014 7.749 ( 19.202 0.000 4.155) 19.646 7.985 ( 15.480 0.000 -5.283) 16.356 8.193 ( -10.978 0.000 4.883) 12.015 8.347 ( 10.069 0.000 11.786) 15.501 8.503 ( -4.905 0.000 7.147) 8.669 8.516 ( -23.356 0.000 -8.168) 24.743 9.331 ( 6.378 0.000 3.033) 7.062 9.479 ( -8.262 0.000 -1.692) 8.433 10.305 ( 1.075 0.000 0.143) 1.085 10.342 ( -2.099 0.000 -1.164) 2.400 10.528 ( -0.963 0.000 -2.710) 2.876 10.576 ( -5.235 0.000 -4.217) 6.722 16.861 ( 4.029 0.000 4.579) 6.099 16.937 ( -3.417 0.000 3.809) 5.117 17.094 ( 3.720 0.000 -3.163) 4.883 17.177 ( -4.447 0.000 -4.238) 6.143 17.625 ( 3.485 0.000 7.914) 8.648 17.695 ( -3.667 0.000 6.604) 7.554 18.105 ( 1.015 0.000 -9.654) 9.707 18.127 ( -1.324 0.000 -9.156) 9.251 21.007 ( 18.845 0.000 4.432) 19.359 21.321 ( 3.720 0.000 -6.621) 7.595 21.363 ( -5.829 0.000 -1.037) 5.920 21.573 ( -10.677 0.000 -6.795) 12.656 27.987 ( 1.371 0.000 0.342) 1.413 28.012 ( -1.197 0.000 -0.944) 1.525 28.059 ( 0.184 0.000 -0.695) 0.719 28.067 ( -0.536 0.000 -1.020) 1.152 37.649 ( 6.903 0.000 3.776) 7.868 37.767 ( -3.206 0.000 0.467) 3.240 37.902 ( 2.002 0.000 -0.862) 2.180 38.003 ( -6.238 0.000 -3.368) 7.089 39.124 ( 9.881 0.000 11.740) 15.344 39.357 ( -11.681 0.000 17.225) 20.812 39.510 ( 17.009 0.000 -2.275) 17.160 39.949 ( -24.849 0.000 -7.086) 25.840 ======================= Grid point 207 (66/120) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 0.000 8.840 28.890) 30.212 1.505 ( 0.000 25.139 24.307) 34.969 2.364 ( 0.000 16.059 25.037) 29.744 2.544 ( 0.000 15.174 -22.873) 27.448 2.655 ( 0.000 8.770 -5.400) 10.299 3.237 ( 0.000 5.918 -1.001) 6.002 3.298 ( 0.000 -0.847 1.720) 1.917 3.542 ( 0.000 -3.418 3.552) 4.930 3.596 ( 0.000 2.012 -3.185) 3.767 4.056 ( 0.000 15.230 8.998) 17.690 4.317 ( 0.000 8.643 -6.388) 10.748 4.385 ( 0.000 -2.294 -33.046) 33.125 4.565 ( 0.000 -5.867 15.093) 16.193 5.261 ( 0.000 -8.723 -15.374) 17.676 5.712 ( 0.000 20.064 16.013) 25.671 6.077 ( 0.000 4.662 7.639) 8.949 6.138 ( 0.000 8.375 14.359) 16.623 6.169 ( 0.000 1.360 5.799) 5.956 6.314 ( 0.000 -4.394 -8.014) 9.140 6.470 ( 0.000 3.047 13.133) 13.482 6.603 ( 0.000 7.829 20.598) 22.036 6.617 ( 0.000 26.012 -12.554) 28.883 7.102 ( 0.000 2.533 -12.687) 12.937 7.211 ( 0.000 12.196 -5.962) 13.576 7.246 ( 0.000 18.904 -5.005) 19.555 7.668 ( 0.000 10.178 3.898) 10.899 7.734 ( 0.000 12.630 -25.821) 28.744 7.917 ( 0.000 -6.054 -3.615) 7.051 9.090 ( 0.000 0.679 9.932) 9.955 9.398 ( 0.000 -0.465 15.689) 15.695 9.536 ( 0.000 -3.840 -9.884) 10.604 9.974 ( 0.000 -2.493 -10.411) 10.705 10.400 ( 0.000 -9.814 7.432) 12.311 10.619 ( 0.000 -7.343 -3.563) 8.161 10.788 ( 0.000 -3.667 7.186) 8.068 11.164 ( 0.000 -10.056 -7.758) 12.700 16.805 ( 0.000 12.912 5.465) 14.021 17.019 ( 0.000 12.930 -3.638) 13.432 17.205 ( 0.000 4.002 4.497) 6.019 17.421 ( 0.000 2.288 -4.772) 5.293 17.423 ( 0.000 -5.713 11.657) 12.982 17.980 ( 0.000 -6.796 -12.614) 14.329 17.983 ( 0.000 -6.936 6.339) 9.397 18.233 ( 0.000 -6.841 -5.196) 8.591 19.796 ( 0.000 0.017 0.347) 0.347 19.811 ( 0.000 -0.053 -0.313) 0.318 21.950 ( 0.000 -0.225 1.209) 1.230 22.009 ( 0.000 -0.532 -1.390) 1.488 27.861 ( 0.000 -4.205 3.460) 5.445 28.018 ( 0.000 -4.502 -3.453) 5.673 28.041 ( 0.000 -2.866 1.827) 3.399 28.119 ( 0.000 -3.233 -1.601) 3.608 37.387 ( 0.000 5.341 4.689) 7.107 37.607 ( 0.000 5.516 -5.004) 7.448 38.321 ( 0.000 1.011 -0.243) 1.040 38.328 ( 0.000 8.080 -1.820) 8.283 38.652 ( 0.000 0.068 5.051) 5.052 38.888 ( 0.000 7.473 -5.276) 9.148 41.380 ( 0.000 -11.154 3.273) 11.624 41.486 ( 0.000 -11.672 -0.172) 11.673 ======================= Grid point 208 (67/120) ======================= q-point: ( 0.11 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.637 8.770 26.083) 27.525 1.607 ( 8.060 26.662 21.762) 35.347 2.406 ( 0.581 7.387 -4.315) 8.575 2.580 ( 3.362 15.914 -18.902) 24.936 2.728 ( 10.411 12.464 16.743) 23.326 3.162 ( -6.611 2.141 1.549) 7.120 3.272 ( -3.578 3.217 0.491) 4.837 3.484 ( -5.824 3.283 2.276) 7.063 3.582 ( -1.799 -2.851 -3.432) 4.810 4.067 ( 1.407 14.472 9.233) 17.224 4.273 ( -5.072 0.932 -10.034) 11.282 4.355 ( 2.650 7.014 -12.878) 14.902 4.712 ( 9.657 -5.561 -0.485) 11.154 5.236 ( -2.553 -7.954 -13.323) 15.725 5.761 ( 4.694 19.814 15.052) 25.321 6.085 ( 1.920 6.997 9.926) 12.296 6.170 ( 2.258 4.245 12.642) 13.525 6.241 ( 7.214 5.827 6.571) 11.365 6.395 ( 5.003 -1.787 3.776) 6.518 6.503 ( 4.691 2.159 5.928) 7.862 6.574 ( -0.801 9.679 9.859) 13.839 6.671 ( 3.862 19.796 -4.949) 20.767 7.101 ( 0.546 1.171 -10.787) 10.864 7.192 ( -0.007 14.725 -4.076) 15.279 7.307 ( 4.613 14.550 -8.786) 17.612 7.699 ( -2.973 12.756 -23.614) 27.003 7.779 ( 7.810 3.065 1.382) 8.503 8.004 ( 9.949 -1.157 -5.026) 11.206 9.026 ( -6.380 0.928 9.637) 11.595 9.362 ( -3.657 -1.061 14.255) 14.754 9.469 ( -6.620 -3.127 -8.523) 11.236 9.922 ( -5.099 -2.505 -9.418) 10.999 10.374 ( -2.529 -9.679 6.694) 12.037 10.561 ( -5.603 -7.231 -2.544) 9.495 10.758 ( -3.029 -3.538 5.688) 7.352 11.052 ( -9.731 -7.028 -4.318) 12.757 16.813 ( 0.804 12.281 5.312) 13.405 17.014 ( -0.254 11.611 -3.131) 12.028 17.190 ( -1.485 3.877 4.676) 6.253 17.402 ( -1.541 1.488 -3.364) 3.988 17.438 ( 1.212 -4.007 9.849) 10.702 17.909 ( -5.258 -5.019 5.473) 9.098 17.993 ( 0.668 -6.384 -10.401) 12.223 18.208 ( -2.344 -6.313 -5.912) 8.961 19.927 ( 11.475 -0.424 1.029) 11.529 20.060 ( 22.855 -3.761 -7.245) 24.269 21.914 ( -3.686 -0.247 1.274) 3.908 21.979 ( -3.105 -0.596 -1.570) 3.530 27.868 ( 0.743 -4.199 3.285) 5.383 28.015 ( -0.271 -4.203 -2.847) 5.084 28.039 ( -0.187 -3.258 0.860) 3.375 28.102 ( -1.636 -3.231 -1.420) 3.890 37.412 ( 2.553 5.634 4.636) 7.730 37.630 ( 2.328 5.717 -4.970) 7.925 38.291 ( -2.677 5.910 -0.249) 6.493 38.323 ( -1.000 5.099 -1.687) 5.463 38.697 ( 4.738 -0.727 4.137) 6.332 38.889 ( 0.197 6.223 -4.258) 7.543 41.087 ( -33.697 -5.714 12.738) 36.475 41.248 ( -14.758 -10.489 1.152) 18.143 ======================= Grid point 209 (68/120) ======================= q-point: ( 0.22 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 9.599 7.227 15.751) 19.811 1.805 ( 11.964 26.416 16.982) 33.605 2.374 ( -2.238 3.431 -18.420) 18.870 2.633 ( 2.725 16.006 -18.946) 24.952 2.971 ( -6.114 0.017 4.843) 7.800 3.043 ( 3.020 5.660 9.412) 11.390 3.206 ( 5.657 9.115 16.210) 19.439 3.330 ( -9.006 9.753 -0.568) 13.287 3.491 ( -7.883 -2.225 -5.461) 9.845 4.111 ( 2.742 13.364 9.658) 16.715 4.236 ( 1.475 0.289 -3.764) 4.053 4.441 ( 5.979 9.041 -9.592) 14.474 4.863 ( 4.821 -5.409 -3.937) 8.246 5.160 ( -5.072 -5.385 -8.226) 11.063 5.879 ( 6.974 19.220 13.523) 24.513 6.152 ( 4.431 10.196 10.639) 15.388 6.231 ( 3.574 4.309 15.814) 16.776 6.385 ( 5.868 10.604 7.207) 14.101 6.442 ( 1.081 0.530 16.152) 16.197 6.551 ( 0.276 6.308 13.565) 14.962 6.676 ( 8.225 12.887 -10.267) 18.415 6.794 ( 9.897 4.961 -7.534) 13.391 7.123 ( 1.964 1.263 -8.667) 8.976 7.276 ( 9.048 7.504 -5.182) 12.846 7.385 ( 2.982 11.183 -10.560) 15.667 7.611 ( -5.574 11.955 -23.425) 26.883 7.942 ( 9.627 0.135 6.538) 11.638 8.264 ( 13.393 0.421 -6.620) 14.946 8.850 ( -11.003 2.326 8.302) 13.979 9.228 ( -11.773 -4.065 -2.375) 12.680 9.319 ( -6.292 0.083 7.517) 9.803 9.788 ( -8.066 -2.499 -7.224) 11.113 10.309 ( -3.740 -8.684 4.749) 10.581 10.427 ( -7.006 -6.523 -0.891) 9.614 10.673 ( -5.443 -3.581 2.984) 7.166 10.851 ( -9.910 -3.753 -2.105) 10.804 16.837 ( 1.656 10.635 4.983) 11.861 17.019 ( 0.804 8.899 -2.629) 9.314 17.152 ( -2.272 4.048 4.583) 6.523 17.360 ( -2.764 2.477 -4.414) 5.767 17.474 ( 2.429 -3.223 9.944) 10.732 17.815 ( -4.121 -3.090 6.031) 7.931 18.011 ( 1.078 -5.836 -10.654) 12.196 18.156 ( -2.659 -5.299 -7.042) 9.206 20.227 ( 18.220 -0.906 3.261) 18.532 20.540 ( 23.933 -6.745 -13.824) 28.449 21.804 ( -7.592 -0.318 1.519) 7.749 21.888 ( -6.068 -0.858 -2.208) 6.514 27.888 ( 1.290 -4.176 2.752) 5.165 28.008 ( -0.509 -3.736 -1.938) 4.239 28.035 ( -0.236 -3.877 -0.634) 3.936 28.064 ( -1.967 -3.367 -1.097) 4.051 37.485 ( 4.906 6.482 4.433) 9.259 37.696 ( 4.338 6.271 -4.887) 9.057 38.216 ( -5.013 9.096 0.492) 10.398 38.284 ( -3.049 5.963 -2.188) 7.046 38.842 ( 10.053 -2.141 1.723) 10.422 38.905 ( 1.733 3.119 -1.099) 3.733 40.364 ( -35.744 0.156 25.933) 44.161 40.869 ( -23.138 -9.020 -3.211) 25.041 ======================= Grid point 210 (69/120) ======================= q-point: ( 0.33 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 16.374 4.638 4.315) 17.557 2.061 ( 13.556 22.027 11.354) 28.246 2.365 ( 2.136 3.080 -16.395) 16.818 2.698 ( 2.589 11.217 -10.719) 15.730 2.759 ( -10.196 3.823 -2.309) 11.131 2.883 ( -12.938 5.913 -0.831) 14.250 3.112 ( -11.577 10.487 -3.385) 15.984 3.264 ( -12.543 6.780 -6.877) 15.830 3.630 ( 23.698 4.579 22.050) 32.692 4.166 ( 2.637 9.630 9.824) 14.007 4.292 ( 3.215 4.918 3.177) 6.680 4.578 ( 6.919 4.487 -10.424) 13.291 4.872 ( -4.154 -1.240 2.250) 4.884 5.056 ( -4.806 -2.876 -5.066) 7.552 6.020 ( 7.150 18.609 12.995) 23.796 6.229 ( 2.560 13.871 11.500) 18.199 6.301 ( 3.553 4.568 18.479) 19.364 6.426 ( -0.446 5.194 15.053) 15.930 6.475 ( 1.672 9.678 10.356) 14.273 6.563 ( 0.500 5.479 8.652) 10.253 6.828 ( 8.297 18.672 -13.889) 24.706 7.003 ( 8.812 -0.664 -11.525) 14.523 7.195 ( 4.369 -3.457 -9.288) 10.831 7.385 ( -2.368 10.081 -14.633) 17.926 7.505 ( 3.731 10.190 -7.688) 13.299 7.591 ( 15.493 0.220 -9.517) 18.184 8.160 ( 11.898 2.678 9.327) 15.353 8.381 ( -5.841 -5.036 3.415) 8.434 8.663 ( -5.153 7.332 2.583) 9.327 8.921 ( -18.370 -2.385 -8.040) 20.193 9.248 ( -0.578 -1.178 9.746) 9.834 9.623 ( -8.561 -2.341 -4.948) 10.162 10.247 ( -2.079 -6.789 2.197) 7.432 10.322 ( -3.461 -6.177 -1.153) 7.174 10.558 ( -5.775 -3.956 0.520) 7.019 10.673 ( -8.288 -3.429 -3.092) 9.487 16.878 ( 2.524 8.597 4.639) 10.090 17.034 ( -0.131 6.059 -0.406) 6.074 17.116 ( -0.460 5.206 1.906) 5.563 17.296 ( -3.629 3.275 -4.357) 6.548 17.531 ( 3.311 -2.392 8.832) 9.731 17.742 ( -3.528 -2.307 5.753) 7.132 18.034 ( 1.208 -5.196 -10.112) 11.433 18.111 ( -1.875 -4.606 -7.901) 9.336 20.610 ( 20.227 -1.044 4.352) 20.716 20.961 ( 18.947 -6.075 -13.086) 23.815 21.615 ( -11.794 -0.452 2.115) 11.990 21.743 ( -8.766 -1.480 -3.624) 9.600 27.917 ( 1.522 -4.108 1.864) 4.761 27.995 ( -0.830 -3.599 -1.440) 3.965 28.029 ( -0.539 -3.598 -0.877) 3.743 28.033 ( -0.952 -4.150 -1.081) 4.393 37.601 ( 6.772 7.739 3.936) 11.011 37.794 ( 5.315 6.994 -4.712) 9.969 38.100 ( -6.488 10.858 1.487) 12.736 38.204 ( -5.032 7.639 -2.884) 9.592 38.967 ( 4.935 -0.024 4.137) 6.440 39.091 ( 15.367 -3.368 -1.389) 15.793 39.763 ( -25.353 0.015 25.416) 35.900 40.381 ( -25.836 -7.422 -6.161) 27.578 ======================= Grid point 211 (70/120) ======================= q-point: ( 0.44 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 16.580 1.942 -2.340) 16.857 2.303 ( 9.099 11.489 0.386) 14.660 2.404 ( -3.353 3.318 -0.475) 4.740 2.574 ( -8.233 4.898 -1.175) 9.652 2.632 ( -1.558 8.384 -2.798) 8.975 2.805 ( -0.963 8.432 -6.839) 10.899 2.885 ( -5.593 15.701 -11.085) 20.017 3.023 ( -10.948 14.845 -8.109) 20.149 4.045 ( 16.099 -1.200 13.989) 21.362 4.193 ( -0.963 3.803 9.622) 10.390 4.369 ( 6.315 10.865 7.328) 14.548 4.570 ( -10.318 2.643 -0.347) 10.657 4.842 ( 5.015 3.362 1.187) 6.153 4.961 ( -5.605 -1.105 -4.154) 7.064 6.149 ( 5.755 17.628 13.365) 22.857 6.232 ( -2.316 16.197 13.081) 20.948 6.363 ( 2.605 5.212 19.547) 20.397 6.404 ( -1.654 5.160 17.808) 18.615 6.510 ( 2.227 9.525 5.683) 11.313 6.553 ( -1.658 8.089 5.568) 9.959 7.007 ( 9.421 13.582 -15.894) 22.932 7.117 ( 2.145 1.197 -13.464) 13.687 7.210 ( -1.999 1.875 -15.616) 15.855 7.262 ( -6.582 11.837 -17.692) 22.281 7.729 ( 17.289 -1.639 4.846) 18.030 7.980 ( 16.641 -0.159 -5.208) 17.437 8.118 ( -12.431 -5.462 5.608) 14.690 8.346 ( 0.218 -0.330 2.806) 2.833 8.527 ( -9.281 3.566 2.584) 10.273 8.613 ( -8.531 7.035 3.149) 11.497 9.310 ( 6.289 -2.071 2.463) 7.064 9.458 ( -8.218 -2.145 -2.159) 8.763 10.241 ( 1.347 -5.803 -0.147) 5.959 10.278 ( -1.833 -5.765 -1.604) 6.258 10.481 ( -1.033 -4.366 -1.945) 4.890 10.532 ( -5.617 -4.089 -3.630) 7.839 16.934 ( 3.137 6.754 4.300) 8.599 16.996 ( -3.017 5.446 3.559) 7.171 17.150 ( 3.179 5.215 -2.686) 6.673 17.221 ( -3.883 4.178 -3.874) 6.895 17.600 ( 3.673 -1.984 7.485) 8.570 17.672 ( -3.634 -1.979 6.302) 7.539 18.057 ( 1.180 -4.668 -9.401) 10.562 18.081 ( -1.298 -4.427 -8.655) 9.807 20.998 ( 18.979 -0.884 4.034) 19.423 21.283 ( 11.885 -3.844 -8.663) 15.201 21.348 ( -13.064 -1.059 2.166) 13.285 21.545 ( -11.455 -2.612 -6.087) 13.232 27.946 ( 1.479 -3.956 0.705) 4.282 27.974 ( -1.298 -3.734 -0.496) 3.985 28.020 ( -0.069 -3.779 -0.874) 3.880 28.023 ( -0.337 -4.162 -1.103) 4.319 37.744 ( 7.513 8.958 2.776) 12.017 37.859 ( -1.662 8.319 -1.613) 8.635 38.008 ( 0.202 10.326 -0.190) 10.329 38.094 ( -5.931 8.770 -3.121) 11.037 39.107 ( 9.610 -1.584 10.954) 14.658 39.349 ( -13.171 -0.653 16.841) 21.390 39.453 ( 17.327 -5.496 -2.599) 18.362 39.885 ( -24.222 -6.101 -6.398) 25.785 ======================= Grid point 216 (71/120) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.000 14.943 23.408) 27.771 1.873 ( 0.000 14.126 21.503) 25.728 2.632 ( 0.000 8.695 -15.906) 18.127 2.752 ( 0.000 5.080 -15.156) 15.984 3.144 ( 0.000 36.218 20.840) 41.785 3.230 ( 0.000 -4.318 4.351) 6.129 3.478 ( 0.000 15.012 -6.365) 16.306 3.549 ( 0.000 2.551 -1.113) 2.784 3.612 ( 0.000 -0.758 -3.401) 3.485 4.348 ( 0.000 -0.052 -28.188) 28.188 4.386 ( 0.000 4.284 5.128) 6.682 4.433 ( 0.000 6.431 12.201) 13.792 4.553 ( 0.000 14.245 -4.389) 14.906 5.032 ( 0.000 -13.460 -14.061) 19.465 5.882 ( 0.000 -0.597 6.698) 6.725 6.113 ( 0.000 -4.664 -0.388) 4.680 6.175 ( 0.000 0.388 7.145) 7.156 6.281 ( 0.000 4.932 -1.041) 5.040 6.379 ( 0.000 9.015 17.259) 19.472 6.722 ( 0.000 16.893 22.741) 28.329 7.029 ( 0.000 37.366 13.283) 39.657 7.088 ( 0.000 -1.751 -12.364) 12.488 7.247 ( 0.000 29.093 -10.763) 31.020 7.399 ( 0.000 1.106 0.753) 1.338 7.540 ( 0.000 21.478 -8.214) 22.995 7.735 ( 0.000 -11.513 -3.779) 12.117 8.054 ( 0.000 22.626 -3.456) 22.888 8.148 ( 0.000 27.169 -11.990) 29.697 9.065 ( 0.000 -3.871 7.856) 8.758 9.391 ( 0.000 -0.226 14.600) 14.602 9.419 ( 0.000 -7.817 -8.629) 11.643 9.896 ( 0.000 -5.182 -7.545) 9.153 10.203 ( 0.000 -7.207 4.882) 8.705 10.483 ( 0.000 -4.049 -8.794) 9.681 10.710 ( 0.000 -3.693 5.742) 6.827 10.993 ( 0.000 -6.784 -6.266) 9.235 17.109 ( 0.000 15.075 5.374) 16.004 17.126 ( 0.000 -6.379 6.118) 8.839 17.291 ( 0.000 5.536 4.825) 7.344 17.463 ( 0.000 11.656 0.185) 11.657 17.478 ( 0.000 3.037 -3.941) 4.976 17.792 ( 0.000 -10.460 -11.772) 15.748 17.856 ( 0.000 -4.787 6.254) 7.876 18.078 ( 0.000 -7.947 -4.550) 9.157 19.796 ( 0.000 0.035 0.303) 0.305 19.809 ( 0.000 -0.102 -0.267) 0.285 21.944 ( 0.000 -0.328 1.036) 1.087 21.995 ( 0.000 -0.881 -1.184) 1.476 27.750 ( 0.000 -6.517 3.309) 7.309 27.896 ( 0.000 -7.440 -3.105) 8.062 27.964 ( 0.000 -4.643 1.563) 4.899 28.031 ( 0.000 -5.359 -1.394) 5.537 37.531 ( 0.000 8.660 4.812) 9.907 37.748 ( 0.000 8.068 -4.313) 9.149 38.325 ( 0.000 -0.665 1.808) 1.927 38.445 ( 0.000 2.884 -4.577) 5.410 38.662 ( 0.000 0.696 7.213) 7.246 39.081 ( 0.000 10.361 -10.562) 14.796 41.103 ( 0.000 -14.923 5.772) 16.000 41.258 ( 0.000 -9.834 0.181) 9.836 ======================= Grid point 217 (72/120) ======================= q-point: ( 0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -0.335 14.511 19.660) 24.438 2.009 ( 10.568 14.347 18.992) 26.042 2.570 ( -4.697 7.883 -16.890) 19.221 2.797 ( 2.986 5.143 -13.032) 14.325 3.176 ( -4.417 3.274 2.429) 6.011 3.225 ( 6.845 28.332 20.006) 35.353 3.421 ( -5.369 8.702 -5.292) 11.513 3.536 ( -1.558 3.158 -0.967) 3.652 3.587 ( -2.010 3.498 -2.805) 4.913 4.275 ( -2.658 2.258 -4.817) 5.947 4.410 ( 1.380 15.376 2.459) 15.632 4.525 ( 5.788 2.127 -13.830) 15.143 4.634 ( 7.029 7.040 1.953) 10.138 5.030 ( -0.029 -11.717 -12.068) 16.820 5.931 ( 4.474 -0.312 7.696) 8.907 6.143 ( 3.020 -1.646 5.052) 6.112 6.262 ( 8.720 -2.196 3.465) 9.637 6.351 ( 6.061 5.913 3.620) 9.208 6.411 ( 3.530 6.420 12.893) 14.830 6.731 ( 0.901 14.930 18.511) 23.798 6.997 ( -2.046 36.567 9.238) 37.772 7.086 ( -0.177 -0.251 -9.847) 9.852 7.261 ( 1.845 23.596 -6.243) 24.478 7.421 ( 1.414 11.433 -3.538) 12.051 7.565 ( 0.458 13.570 -7.457) 15.491 7.754 ( 4.406 -4.861 -2.593) 7.054 8.119 ( -0.403 25.951 -9.015) 27.475 8.165 ( 7.501 18.136 -5.702) 20.438 9.011 ( -5.373 -3.190 7.399) 9.685 9.325 ( -6.750 -4.197 0.869) 7.996 9.389 ( -2.910 -3.200 4.950) 6.573 9.845 ( -4.987 -5.004 -6.874) 9.857 10.180 ( -2.187 -7.321 4.307) 8.771 10.434 ( -4.757 -3.487 -8.306) 10.187 10.680 ( -3.103 -3.836 5.115) 7.106 10.923 ( -6.498 -5.592 -4.591) 9.725 17.090 ( -1.308 8.799 5.359) 10.385 17.134 ( 0.390 0.494 4.693) 4.735 17.282 ( -0.860 5.796 4.395) 7.325 17.459 ( -0.712 8.104 -1.472) 8.267 17.472 ( -0.185 5.581 -0.872) 5.652 17.792 ( -0.946 -7.247 -5.629) 9.225 17.835 ( -0.652 -6.538 0.767) 6.615 18.063 ( -1.433 -7.540 -4.928) 9.121 19.917 ( 10.860 -0.508 0.709) 10.895 19.989 ( 17.540 -3.011 -3.060) 18.057 21.908 ( -3.745 -0.358 1.091) 3.917 21.963 ( -3.289 -0.977 -1.325) 3.678 27.757 ( 0.757 -6.510 3.167) 7.279 27.897 ( 0.095 -7.326 -2.955) 7.901 27.957 ( -0.690 -4.790 1.256) 4.999 28.014 ( -1.606 -5.295 -1.228) 5.668 37.563 ( 3.331 9.113 4.695) 10.779 37.778 ( 2.980 8.532 -4.316) 10.015 38.331 ( 0.541 0.202 1.881) 1.967 38.451 ( 0.280 4.270 -4.958) 6.549 38.682 ( 2.493 -0.787 6.735) 7.225 39.058 ( -2.251 9.444 -9.495) 13.579 40.955 ( -18.593 -9.658 5.689) 21.710 41.007 ( -19.400 -9.266 4.388) 21.942 ======================= Grid point 218 (73/120) ======================= q-point: ( 0.22 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 7.021 12.628 10.889) 18.093 2.222 ( 10.457 13.667 12.546) 21.296 2.485 ( -3.318 6.903 -15.535) 17.321 2.837 ( 0.528 4.173 -7.539) 8.633 3.060 ( -6.507 6.020 -3.141) 9.405 3.211 ( -9.455 7.925 -4.053) 12.985 3.457 ( -6.047 0.439 -0.186) 6.065 3.486 ( 10.120 16.999 11.441) 22.854 3.561 ( 1.432 15.147 3.319) 15.572 4.276 ( 2.469 4.424 -1.043) 5.172 4.430 ( 0.438 15.261 2.047) 15.404 4.629 ( 4.338 3.686 -17.037) 17.963 4.779 ( 7.193 3.556 5.447) 9.698 5.036 ( 0.589 -5.079 -6.213) 8.047 6.034 ( 5.540 -0.312 9.697) 11.173 6.222 ( 4.563 -0.461 8.183) 9.381 6.445 ( 4.492 5.861 12.825) 14.799 6.492 ( 11.498 -0.086 2.281) 11.723 6.538 ( 9.228 4.347 7.561) 12.698 6.757 ( 2.064 9.873 6.603) 12.056 6.978 ( 0.414 38.389 8.393) 39.298 7.107 ( 2.400 -1.297 -9.498) 9.882 7.314 ( 3.561 18.628 -4.097) 19.403 7.459 ( 3.136 15.096 -5.305) 16.305 7.540 ( -1.712 9.411 -5.748) 11.160 7.886 ( 5.044 5.421 -10.946) 13.215 8.109 ( 2.859 24.642 1.047) 24.829 8.341 ( 7.330 8.103 -3.662) 11.524 8.876 ( -7.097 -0.412 4.930) 8.651 9.133 ( -12.604 -5.466 -4.551) 14.473 9.310 ( -4.931 -0.503 9.933) 11.101 9.716 ( -7.790 -4.523 -5.642) 10.629 10.131 ( -2.433 -7.305 2.903) 8.229 10.318 ( -6.378 -2.646 -6.669) 9.600 10.591 ( -5.786 -4.171 3.710) 8.040 10.767 ( -8.925 -4.328 -2.636) 10.263 17.069 ( -0.750 7.693 4.427) 8.907 17.139 ( 0.098 2.260 2.502) 3.373 17.260 ( -1.240 6.585 3.482) 7.552 17.428 ( -2.188 4.328 -3.810) 6.167 17.486 ( 1.604 6.696 4.122) 8.025 17.749 ( -2.539 -2.597 3.942) 5.360 17.855 ( 1.930 -8.581 -8.256) 12.063 18.030 ( -1.762 -6.738 -5.653) 8.970 20.206 ( 17.790 -1.093 2.338) 17.976 20.398 ( 22.393 -6.740 -7.225) 24.476 21.796 ( -7.719 -0.459 1.278) 7.837 21.866 ( -6.600 -1.351 -1.799) 6.973 27.778 ( 1.336 -6.480 2.750) 7.165 27.899 ( 0.109 -6.944 -2.526) 7.390 27.939 ( -1.057 -5.299 0.570) 5.433 27.976 ( -2.085 -5.249 -0.907) 5.720 37.659 ( 6.316 10.373 4.228) 12.859 37.861 ( 5.367 9.711 -4.377) 11.928 38.341 ( 0.337 3.394 1.841) 3.876 38.437 ( -1.930 7.191 -4.288) 8.592 38.781 ( 7.869 -3.937 3.797) 9.584 39.004 ( -2.741 6.352 -6.072) 9.205 40.385 ( -32.403 2.005 14.795) 35.677 40.642 ( -21.244 -12.434 0.213) 24.616 ======================= Grid point 219 (74/120) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 12.990 9.171 1.703) 15.992 2.375 ( 3.845 7.549 -7.065) 11.031 2.478 ( 3.212 6.431 1.388) 7.321 2.797 ( -3.428 7.401 -0.881) 8.204 2.926 ( -9.902 4.092 -6.896) 12.742 3.042 ( -4.170 10.178 -6.244) 12.648 3.323 ( -6.813 6.538 -1.904) 9.632 3.455 ( -5.552 12.130 -4.888) 14.208 3.824 ( 16.350 15.223 16.060) 27.514 4.340 ( 2.243 5.768 -0.362) 6.199 4.437 ( 1.426 9.168 2.049) 9.502 4.673 ( -0.134 1.037 -13.364) 13.405 4.906 ( 5.584 7.803 8.692) 12.946 5.044 ( 0.029 4.665 0.803) 4.734 6.135 ( 4.681 -1.339 11.436) 12.429 6.291 ( 1.676 -1.107 9.650) 9.857 6.524 ( 4.178 5.924 8.513) 11.181 6.621 ( 2.912 3.793 8.454) 9.712 6.760 ( 9.294 13.413 8.802) 18.541 6.837 ( 5.936 10.613 -2.056) 12.333 7.019 ( 3.818 25.301 4.313) 25.949 7.148 ( 1.062 -0.132 -9.396) 9.456 7.411 ( 6.219 20.567 -3.438) 21.760 7.534 ( 1.883 13.922 -4.598) 14.782 7.576 ( 8.880 2.915 -8.198) 12.432 7.887 ( -1.390 21.192 -12.294) 24.539 8.272 ( 9.638 8.887 6.122) 14.468 8.334 ( -8.256 2.489 4.617) 9.781 8.795 ( -4.729 5.315 -0.400) 7.126 8.858 ( -11.450 -3.252 -4.803) 12.836 9.222 ( -2.708 -0.953 8.594) 9.061 9.557 ( -8.152 -3.934 -4.665) 10.183 10.100 ( -0.480 -6.655 1.236) 6.785 10.212 ( -3.924 -3.051 -4.815) 6.920 10.467 ( -6.325 -4.621 2.082) 8.105 10.589 ( -8.878 -4.434 -2.410) 10.212 17.065 ( 0.356 7.172 3.464) 7.973 17.135 ( -0.689 2.899 1.446) 3.312 17.245 ( 0.081 6.839 1.766) 7.064 17.378 ( -2.901 4.318 -3.558) 6.303 17.530 ( 2.727 4.217 5.701) 7.597 17.700 ( -2.557 -0.968 4.991) 5.691 17.896 ( 2.167 -7.588 -8.665) 11.720 17.998 ( -1.513 -6.173 -6.427) 9.039 20.585 ( 20.245 -1.332 3.231) 20.545 20.821 ( 20.346 -7.180 -8.006) 23.013 21.603 ( -12.013 -0.641 1.715) 12.152 21.705 ( -9.855 -2.218 -2.800) 10.482 27.808 ( 1.643 -6.397 2.098) 6.929 27.898 ( -0.408 -5.980 -1.442) 6.165 27.918 ( -0.950 -6.451 -0.341) 6.529 27.941 ( -1.367 -5.359 -0.793) 5.587 37.804 ( 8.301 11.959 3.051) 14.874 37.977 ( 6.051 10.819 -4.576) 13.214 38.328 ( -2.229 10.328 0.903) 10.605 38.383 ( -3.124 9.001 -3.044) 10.002 38.973 ( 2.598 -0.419 0.500) 2.679 38.996 ( 11.841 -4.983 -0.305) 12.851 39.787 ( -27.432 2.851 17.706) 32.774 40.190 ( -24.112 -10.726 -2.974) 26.557 ======================= Grid point 220 (75/120) ======================= q-point: ( 0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 13.641 5.653 -4.211) 15.355 2.399 ( -4.259 2.798 -9.502) 10.782 2.510 ( 3.168 3.745 -1.009) 5.008 2.685 ( -12.448 3.194 -6.300) 14.312 2.830 ( 7.105 12.411 2.479) 14.514 2.978 ( -5.742 9.199 1.198) 10.910 3.249 ( 0.860 14.304 -7.317) 16.089 3.333 ( -6.259 14.472 -6.971) 17.240 4.114 ( 12.562 8.142 10.162) 18.093 4.298 ( -6.064 6.500 4.292) 9.872 4.520 ( 5.791 3.406 -1.629) 6.913 4.626 ( -4.380 1.431 -6.594) 8.044 4.992 ( 3.136 11.493 8.874) 14.855 5.033 ( -1.240 11.212 6.097) 12.823 6.218 ( 3.832 -2.076 11.782) 12.562 6.281 ( -2.308 -1.883 10.989) 11.385 6.603 ( 3.359 5.015 5.799) 8.370 6.642 ( -0.497 3.729 5.924) 7.017 6.878 ( 3.825 22.884 7.200) 24.293 6.913 ( 0.751 26.798 5.748) 27.418 7.099 ( 3.452 4.121 -4.937) 7.299 7.146 ( -1.236 0.794 -8.682) 8.805 7.532 ( 5.248 25.970 -10.495) 28.498 7.606 ( 0.055 16.870 -10.103) 19.664 7.730 ( 11.265 4.168 2.154) 12.203 8.016 ( 11.153 6.075 -4.526) 13.483 8.048 ( -12.603 0.208 5.168) 13.623 8.347 ( -11.685 1.221 -5.386) 12.925 8.629 ( 3.086 6.809 6.872) 10.154 8.768 ( -6.430 8.448 4.345) 11.471 9.255 ( 5.827 -3.049 1.157) 6.678 9.399 ( -7.978 -3.445 -3.029) 9.203 10.116 ( 2.011 -5.575 -0.553) 5.952 10.161 ( -2.077 -4.482 -3.036) 5.798 10.380 ( -1.287 -4.977 -0.107) 5.142 10.435 ( -6.205 -4.905 -2.236) 8.220 17.081 ( 1.294 6.145 2.765) 6.862 17.111 ( -1.563 4.587 2.107) 5.284 17.268 ( 2.083 5.697 -0.880) 6.129 17.319 ( -2.957 4.782 -2.654) 6.217 17.588 ( 3.066 2.165 5.963) 7.046 17.647 ( -2.884 0.508 5.570) 6.292 17.936 ( 1.859 -6.641 -8.092) 10.632 17.969 ( -1.511 -6.130 -7.272) 9.631 20.976 ( 19.256 -1.184 3.085) 19.537 21.184 ( 16.402 -5.528 -6.478) 18.482 21.328 ( -15.804 -0.993 2.384) 16.014 21.479 ( -13.175 -3.711 -4.446) 14.391 27.841 ( 1.727 -6.205 1.304) 6.572 27.875 ( -1.655 -5.847 0.447) 6.094 27.913 ( 0.241 -6.476 -1.350) 6.620 27.922 ( -0.652 -5.848 -1.072) 5.981 37.968 ( 7.778 12.535 0.614) 14.764 38.059 ( 0.318 10.954 -3.552) 11.520 38.276 ( -0.937 15.239 -0.517) 15.277 38.318 ( -3.604 12.604 -2.487) 13.343 39.065 ( 8.849 -2.666 8.476) 12.539 39.300 ( 7.746 -8.552 1.959) 11.704 39.348 ( -7.422 -0.030 10.082) 12.519 39.726 ( -22.752 -9.201 -4.060) 24.876 ======================= Grid point 225 (76/120) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 0.000 17.824 17.328) 24.859 2.152 ( 0.000 14.506 10.644) 17.992 2.791 ( 0.000 7.388 -13.003) 14.955 2.809 ( 0.000 1.750 -11.627) 11.758 3.151 ( 0.000 -2.938 0.980) 3.097 3.531 ( 0.000 -5.950 -8.469) 10.350 3.594 ( 0.000 1.987 -2.463) 3.165 3.692 ( 0.000 3.658 -8.593) 9.340 3.804 ( 0.000 22.638 13.883) 26.555 4.268 ( 0.000 -0.190 10.110) 10.112 4.390 ( 0.000 1.307 -14.804) 14.861 4.758 ( 0.000 -7.254 -6.029) 9.432 4.823 ( 0.000 20.691 -0.463) 20.697 4.887 ( 0.000 15.012 -8.983) 17.494 5.845 ( 0.000 -2.250 1.237) 2.567 5.959 ( 0.000 -9.261 -3.179) 9.792 6.196 ( 0.000 2.052 10.781) 10.975 6.438 ( 0.000 9.118 0.717) 9.146 6.517 ( 0.000 6.212 15.831) 17.007 6.932 ( 0.000 3.769 22.091) 22.410 7.037 ( 0.000 -3.617 -7.490) 8.318 7.376 ( 0.000 -15.161 0.676) 15.176 7.438 ( 0.000 4.541 -5.422) 7.072 7.610 ( 0.000 4.269 -14.620) 15.231 7.883 ( 0.000 41.962 7.537) 42.634 8.180 ( 0.000 34.189 -5.185) 34.579 8.442 ( 0.000 15.867 6.357) 17.093 8.681 ( 0.000 22.854 -4.452) 23.283 8.946 ( 0.000 -6.818 5.444) 8.725 9.249 ( 0.000 -8.287 -9.178) 12.366 9.396 ( 0.000 1.492 13.384) 13.467 9.781 ( 0.000 -5.937 -2.855) 6.588 10.178 ( 0.000 4.526 2.537) 5.189 10.481 ( 0.000 2.785 -10.388) 10.755 10.659 ( 0.000 -1.036 3.765) 3.905 10.882 ( 0.000 -4.549 -6.817) 8.195 16.966 ( 0.000 -7.169 3.407) 7.938 17.242 ( 0.000 -4.988 -5.123) 7.150 17.402 ( 0.000 4.659 3.194) 5.649 17.526 ( 0.000 2.036 -1.681) 2.640 17.635 ( 0.000 2.538 1.676) 3.042 17.701 ( 0.000 2.763 -3.063) 4.125 17.861 ( 0.000 6.745 4.446) 8.079 17.947 ( 0.000 -3.811 -1.735) 4.187 19.797 ( 0.000 0.060 0.232) 0.239 19.807 ( 0.000 -0.140 -0.190) 0.236 21.938 ( 0.000 -0.241 0.760) 0.798 21.975 ( 0.000 -1.018 -0.874) 1.341 27.621 ( 0.000 -5.955 2.838) 6.597 27.738 ( 0.000 -7.931 -2.327) 8.265 27.869 ( 0.000 -4.591 1.139) 4.730 27.918 ( 0.000 -5.629 -1.044) 5.725 37.711 ( 0.000 9.019 4.919) 10.273 37.899 ( 0.000 6.336 -2.264) 6.728 38.305 ( 0.000 -0.964 2.987) 3.139 38.464 ( 0.000 -0.454 -0.976) 1.077 38.673 ( 0.000 1.131 2.572) 2.809 39.226 ( 0.000 2.531 -17.654) 17.834 40.859 ( 0.000 -8.019 10.709) 13.379 41.105 ( 0.000 -5.958 -0.259) 5.964 ======================= Grid point 226 (77/120) ======================= q-point: ( 0.11 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -1.445 17.220 12.199) 21.152 2.267 ( 8.528 12.658 10.704) 18.642 2.717 ( -5.272 6.615 -13.735) 16.131 2.851 ( 2.025 1.300 -9.205) 9.515 3.140 ( -0.712 -1.921 -1.390) 2.475 3.453 ( -7.435 -3.305 -9.776) 12.719 3.558 ( -2.364 1.281 1.003) 2.870 3.708 ( 0.720 7.099 -4.878) 8.643 3.861 ( 4.997 20.896 11.914) 24.567 4.286 ( 2.061 -0.679 8.620) 8.889 4.453 ( 5.233 1.213 -14.491) 15.455 4.687 ( -4.829 -2.891 -6.410) 8.530 4.893 ( 5.888 17.639 -0.433) 18.601 4.968 ( 7.017 13.425 -6.774) 16.594 5.896 ( 4.746 -2.259 2.188) 5.693 6.024 ( 5.998 -8.523 -1.306) 10.503 6.264 ( 6.983 1.804 9.725) 12.107 6.476 ( 2.989 6.576 4.838) 8.694 6.545 ( 3.412 7.072 11.202) 13.680 6.910 ( -1.910 2.619 15.364) 15.702 7.030 ( -0.387 -3.757 -6.350) 7.389 7.334 ( -3.213 -11.869 -4.123) 12.970 7.459 ( 2.972 4.039 -0.449) 5.035 7.698 ( 6.213 6.443 -8.828) 12.572 7.899 ( 2.233 37.223 5.727) 37.727 8.178 ( -0.201 33.804 -5.129) 34.191 8.474 ( 2.767 14.102 5.391) 15.349 8.676 ( -0.397 23.262 -3.667) 23.552 8.910 ( -3.396 -5.516 4.915) 8.130 9.189 ( -5.982 -7.310 -8.672) 12.823 9.377 ( -1.885 1.504 12.473) 12.704 9.737 ( -4.351 -5.520 -2.695) 7.528 10.147 ( -2.940 4.097 2.399) 5.584 10.442 ( -3.811 3.331 -10.306) 11.481 10.625 ( -3.454 -1.256 3.696) 5.212 10.828 ( -5.302 -4.040 -5.677) 8.756 16.978 ( 1.219 -6.728 3.062) 7.492 17.228 ( -1.262 -4.003 -4.373) 6.062 17.402 ( -0.158 4.792 2.627) 5.467 17.507 ( -1.730 0.769 -1.606) 2.482 17.644 ( 0.769 3.837 1.538) 4.205 17.714 ( 1.323 1.871 -3.285) 4.005 17.831 ( -2.694 6.917 4.836) 8.859 17.938 ( -0.789 -3.508 -2.045) 4.136 19.909 ( 10.375 -0.339 0.458) 10.391 19.943 ( 13.674 -1.651 -1.135) 13.820 21.901 ( -3.799 -0.258 0.801) 3.891 21.941 ( -3.493 -1.106 -0.967) 3.790 27.628 ( 0.770 -5.954 2.732) 6.595 27.741 ( 0.306 -7.829 -2.232) 8.147 27.860 ( -0.901 -4.659 0.991) 4.848 27.903 ( -1.471 -5.532 -0.914) 5.797 37.754 ( 4.259 9.476 4.790) 11.441 37.940 ( 4.123 6.983 -2.313) 8.433 38.322 ( 1.751 -0.654 2.967) 3.507 38.489 ( 2.378 -0.025 -2.653) 3.563 38.668 ( -0.251 0.129 3.679) 3.690 39.193 ( -3.280 2.447 -16.470) 16.971 40.742 ( -11.620 -7.582 9.379) 16.748 40.914 ( -18.506 -3.048 2.058) 18.868 ======================= Grid point 227 (78/120) ======================= q-point: ( 0.22 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 3.837 14.846 5.086) 16.155 2.426 ( 6.850 8.678 4.275) 11.854 2.602 ( -5.682 4.176 -10.835) 12.927 2.886 ( 1.387 1.290 -7.009) 7.260 3.126 ( -1.261 1.494 -5.808) 6.128 3.293 ( -7.848 1.073 -6.729) 10.393 3.487 ( -5.008 2.717 4.085) 7.011 3.704 ( -1.482 7.029 -5.574) 9.092 3.986 ( 7.745 18.573 11.590) 23.222 4.350 ( 4.229 0.003 5.838) 7.209 4.545 ( 2.870 4.086 -10.649) 11.762 4.607 ( -2.293 -6.007 -6.869) 9.409 5.040 ( 8.448 18.924 1.355) 20.768 5.128 ( 8.599 14.134 -2.409) 16.719 6.005 ( 5.722 -1.639 4.096) 7.225 6.157 ( 6.640 -6.005 2.684) 9.346 6.463 ( 12.380 -0.654 6.274) 13.895 6.525 ( 2.298 3.195 10.518) 11.230 6.659 ( 7.472 6.719 5.006) 11.227 6.878 ( -0.524 1.356 5.457) 5.648 7.038 ( 1.363 -5.230 -6.632) 8.555 7.300 ( 0.756 -9.894 -8.438) 13.026 7.542 ( 5.232 6.653 7.278) 11.163 7.771 ( 0.809 24.054 1.670) 24.126 8.003 ( 7.957 15.661 -2.744) 17.780 8.171 ( -0.579 32.571 -4.940) 32.949 8.497 ( -2.401 8.846 4.728) 10.314 8.680 ( 0.744 23.771 -1.787) 23.850 8.844 ( -1.624 -1.716 3.010) 3.826 9.023 ( -10.542 -4.350 -7.303) 13.542 9.322 ( -3.791 2.113 10.321) 11.197 9.624 ( -6.780 -4.404 -2.665) 8.512 10.080 ( -3.350 2.902 2.086) 4.898 10.343 ( -5.873 4.381 -9.520) 12.013 10.529 ( -6.153 -1.615 3.453) 7.238 10.690 ( -8.363 -3.151 -3.600) 9.635 17.013 ( 2.234 -5.502 2.163) 6.320 17.200 ( -1.401 -2.203 -3.100) 4.053 17.390 ( -1.146 4.822 1.662) 5.227 17.466 ( -2.377 -1.029 -1.773) 3.138 17.659 ( 0.757 5.865 1.843) 6.194 17.750 ( 2.252 0.102 -3.565) 4.218 17.777 ( -2.369 6.718 5.050) 8.732 17.920 ( -0.956 -2.807 -2.687) 4.002 20.187 ( 17.379 -0.693 1.459) 17.454 20.287 ( 20.207 -4.321 -3.156) 20.903 21.788 ( -7.848 -0.327 0.923) 7.909 21.837 ( -7.166 -1.435 -1.261) 7.416 27.650 ( 1.382 -5.938 2.427) 6.562 27.750 ( 0.558 -7.532 -1.973) 7.806 27.835 ( -1.566 -4.891 0.698) 5.183 27.867 ( -2.053 -5.397 -0.668) 5.813 37.874 ( 7.837 10.675 4.165) 13.882 38.054 ( 7.112 8.761 -2.625) 11.586 38.377 ( 3.988 0.737 2.943) 5.010 38.535 ( 1.161 3.045 -5.822) 6.672 38.691 ( 3.929 -4.490 5.464) 8.090 39.104 ( -5.563 1.934 -12.926) 14.204 40.418 ( -22.776 -2.860 6.685) 23.909 40.450 ( -25.162 -1.871 5.929) 25.919 ======================= Grid point 228 (79/120) ======================= q-point: ( 0.33 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 9.029 10.962 -1.821) 14.318 2.484 ( -1.249 4.223 -13.280) 13.991 2.553 ( 1.111 2.550 3.011) 4.100 2.878 ( -3.812 -0.163 -8.186) 9.031 3.058 ( -4.193 8.565 -3.312) 10.095 3.197 ( -2.301 5.291 -3.013) 6.509 3.394 ( -2.931 2.156 1.567) 3.962 3.641 ( -4.829 5.603 -8.402) 11.194 4.155 ( 9.009 14.004 10.055) 19.452 4.430 ( 3.040 2.339 3.985) 5.531 4.543 ( -0.686 3.389 -0.594) 3.508 4.616 ( 0.939 -3.414 -9.482) 10.121 5.198 ( 7.218 19.600 5.021) 21.482 5.278 ( 6.050 16.290 2.527) 17.560 6.105 ( 4.537 -0.863 5.386) 7.095 6.255 ( 2.686 -2.976 4.042) 5.693 6.566 ( 2.534 -0.659 7.132) 7.598 6.645 ( 3.142 -1.305 4.995) 6.044 6.843 ( 9.577 0.851 -1.271) 9.699 6.940 ( 9.293 3.935 4.555) 11.073 7.061 ( 0.714 -7.923 -5.364) 9.594 7.402 ( 9.296 -4.445 -9.812) 14.229 7.656 ( 5.967 10.467 8.603) 14.805 7.762 ( -0.488 25.924 6.866) 26.823 8.126 ( -0.072 18.825 -6.437) 19.895 8.184 ( 5.145 18.238 -5.119) 19.629 8.353 ( -11.335 3.969 5.930) 13.393 8.655 ( -5.916 14.407 -3.935) 16.064 8.797 ( -5.503 5.158 1.183) 7.635 8.920 ( 4.664 5.937 -1.133) 7.634 9.233 ( -4.692 2.519 7.565) 9.251 9.485 ( -7.225 -2.977 -3.075) 8.397 10.037 ( -0.569 1.580 1.381) 2.174 10.232 ( -5.126 4.549 -7.681) 10.294 10.399 ( -6.443 -1.603 3.008) 7.289 10.518 ( -8.741 -2.304 -2.242) 9.314 17.063 ( 2.763 -3.699 1.054) 4.736 17.176 ( -1.115 -0.750 -1.912) 2.337 17.363 ( -1.309 3.548 0.597) 3.829 17.416 ( -2.629 -1.682 -1.948) 3.679 17.675 ( 0.838 7.009 2.836) 7.607 17.738 ( -1.494 5.479 4.811) 7.443 17.800 ( 2.524 -0.412 -3.899) 4.663 17.902 ( -0.977 -2.101 -3.318) 4.047 20.562 ( 20.205 -0.873 2.049) 20.327 20.695 ( 20.751 -5.306 -4.021) 21.792 21.592 ( -12.222 -0.459 1.187) 12.288 21.660 ( -10.975 -2.163 -1.835) 11.335 27.681 ( 1.766 -5.875 1.975) 6.445 27.763 ( 0.751 -7.054 -1.619) 7.276 27.799 ( -2.045 -5.250 0.643) 5.671 27.829 ( -1.678 -5.503 -0.639) 5.788 38.046 ( 9.147 11.613 2.240) 14.951 38.197 ( 6.668 10.503 -3.672) 12.971 38.483 ( 6.654 5.557 2.279) 8.964 38.526 ( -1.096 5.158 -2.781) 5.962 38.844 ( 11.070 -7.947 1.427) 13.702 38.995 ( -4.373 -0.316 -6.476) 7.821 39.870 ( -28.404 4.742 9.406) 30.294 40.002 ( -23.238 -6.925 2.609) 24.388 ======================= Grid point 229 (80/120) ======================= q-point: ( 0.44 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 9.940 7.159 -6.392) 13.817 2.461 ( -2.570 3.275 -8.616) 9.569 2.569 ( 2.584 2.374 -4.625) 5.805 2.716 ( -10.490 0.425 -8.950) 13.795 3.054 ( 3.098 9.696 2.424) 10.463 3.135 ( -4.307 6.479 1.902) 8.009 3.413 ( 4.417 3.249 -6.709) 8.665 3.527 ( -6.403 4.425 -9.450) 12.242 4.318 ( 7.209 9.854 7.096) 14.122 4.425 ( -3.463 6.015 4.122) 8.072 4.567 ( 2.690 1.752 0.145) 3.214 4.612 ( -1.421 -0.810 -3.995) 4.317 5.311 ( 4.081 19.262 7.345) 21.015 5.346 ( 0.739 18.212 6.431) 19.328 6.188 ( 4.037 -0.436 5.001) 6.442 6.255 ( -2.274 -0.786 4.267) 4.899 6.617 ( 2.395 -2.396 4.355) 5.517 6.652 ( -1.096 -2.366 3.161) 4.098 6.955 ( 3.997 -4.866 -4.950) 8.010 7.016 ( -2.098 -5.982 -6.291) 8.931 7.266 ( 16.227 8.077 7.015) 19.436 7.499 ( -4.929 13.259 1.792) 14.258 7.790 ( 10.649 5.369 -4.066) 12.599 7.839 ( 7.482 8.605 7.433) 13.612 8.047 ( -6.994 18.467 -2.374) 19.890 8.100 ( -12.043 5.575 6.228) 14.659 8.299 ( 5.201 15.048 -7.542) 17.617 8.444 ( -10.706 8.409 -6.891) 15.259 8.833 ( 6.070 14.486 6.343) 16.939 8.953 ( -3.930 10.102 3.842) 11.501 9.213 ( 4.351 -0.483 0.781) 4.447 9.342 ( -7.366 -1.743 -2.768) 8.059 10.063 ( 3.056 1.246 -0.446) 3.330 10.142 ( -4.439 2.681 -4.205) 6.676 10.315 ( -1.018 -0.838 1.099) 1.717 10.368 ( -5.877 -1.201 -1.247) 6.127 17.115 ( 2.416 -1.630 0.072) 2.915 17.153 ( -1.434 -0.349 -0.833) 1.694 17.349 ( 0.048 1.155 -0.618) 1.311 17.369 ( -1.920 -1.025 -1.614) 2.709 17.693 ( 1.006 6.755 3.773) 7.803 17.713 ( -1.127 5.891 4.367) 7.419 17.846 ( 2.067 -1.142 -3.991) 4.637 17.879 ( -1.389 -1.591 -3.783) 4.333 20.955 ( 19.480 -0.805 2.001) 19.599 21.081 ( 18.289 -4.615 -3.651) 19.213 21.311 ( -16.362 -0.663 1.616) 16.455 21.407 ( -14.802 -3.343 -2.707) 15.415 27.718 ( 1.975 -5.727 1.455) 6.230 27.758 ( -2.089 -5.470 0.949) 5.932 27.780 ( 0.941 -6.559 -1.229) 6.739 27.801 ( -1.240 -5.953 -0.898) 6.146 38.204 ( 6.370 10.528 -1.305) 12.374 38.273 ( 0.093 10.245 -4.249) 11.092 38.532 ( 2.505 8.680 -1.148) 9.107 38.579 ( 0.525 13.041 -1.824) 13.178 38.998 ( 8.809 -4.157 4.747) 10.836 39.121 ( 13.212 -8.268 -0.395) 15.591 39.375 ( -18.740 2.359 9.127) 20.977 39.555 ( -21.579 -7.039 0.297) 22.700 ======================= Grid point 234 (81/120) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 0.000 16.867 10.948) 20.108 2.441 ( 0.000 13.723 0.496) 13.732 2.829 ( 0.000 -0.080 -8.254) 8.254 2.886 ( 0.000 0.434 -4.296) 4.318 3.124 ( 0.000 0.879 -5.474) 5.544 3.369 ( 0.000 -9.533 -11.611) 15.023 3.620 ( 0.000 0.959 -3.156) 3.298 3.691 ( 0.000 -2.085 -8.071) 8.336 3.926 ( 0.000 -0.396 3.669) 3.690 4.246 ( 0.000 -13.049 -9.034) 15.871 4.521 ( 0.000 16.512 9.137) 18.872 4.738 ( 0.000 2.926 -0.824) 3.040 5.209 ( 0.000 17.534 -2.925) 17.777 5.236 ( 0.000 17.905 -4.488) 18.459 5.759 ( 0.000 -10.895 -2.821) 11.254 5.772 ( 0.000 -6.324 -3.268) 7.118 6.289 ( 0.000 8.518 12.911) 15.467 6.611 ( 0.000 7.322 1.751) 7.529 6.642 ( 0.000 6.505 14.677) 16.054 6.915 ( 0.000 -3.684 9.172) 9.884 6.940 ( 0.000 -5.989 -0.719) 6.032 6.997 ( 0.000 -20.162 3.946) 20.545 7.563 ( 0.000 6.562 -8.517) 10.752 7.681 ( 0.000 1.637 -15.268) 15.355 8.548 ( 0.000 22.349 4.808) 22.861 8.670 ( 0.000 10.900 1.459) 10.997 8.683 ( 0.000 8.521 10.851) 13.796 8.852 ( 0.000 0.715 4.308) 4.367 9.003 ( 0.000 9.273 -3.270) 9.833 9.134 ( 0.000 -2.362 -8.558) 8.878 9.479 ( 0.000 6.417 9.418) 11.396 9.675 ( 0.000 -4.438 1.846) 4.807 10.331 ( 0.000 9.081 2.119) 9.325 10.530 ( 0.000 0.670 -4.394) 4.445 10.678 ( 0.000 2.843 -0.590) 2.903 10.809 ( 0.000 -2.936 -8.004) 8.526 16.875 ( 0.000 -1.655 -2.359) 2.882 17.057 ( 0.000 -9.906 -9.175) 13.502 17.456 ( 0.000 1.052 1.690) 1.991 17.530 ( 0.000 -1.938 -1.303) 2.335 17.661 ( 0.000 1.891 1.410) 2.359 17.728 ( 0.000 -0.922 -1.374) 1.655 17.990 ( 0.000 5.882 4.876) 7.640 18.012 ( 0.000 6.034 5.317) 8.042 19.799 ( 0.000 0.095 0.136) 0.166 19.804 ( 0.000 -0.151 -0.090) 0.176 21.936 ( 0.000 0.064 0.391) 0.396 21.956 ( 0.000 -0.885 -0.480) 1.007 27.530 ( 0.000 -2.760 1.870) 3.334 27.597 ( 0.000 -5.818 -1.072) 5.916 27.795 ( 0.000 -2.586 0.595) 2.654 27.821 ( 0.000 -3.855 -0.568) 3.896 37.871 ( 0.000 6.647 4.526) 8.041 37.979 ( 0.000 1.538 0.621) 1.659 38.301 ( 0.000 0.851 4.302) 4.385 38.422 ( 0.000 -3.653 6.005) 7.029 38.756 ( 0.000 7.599 -9.552) 12.206 39.161 ( 0.000 -8.268 -20.281) 21.901 40.807 ( 0.000 2.084 11.655) 11.840 40.999 ( 0.000 -5.137 2.350) 5.649 ======================= Grid point 235 (82/120) ======================= q-point: ( 0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -2.920 16.360 5.666) 17.558 2.511 ( 4.417 10.982 1.846) 11.980 2.799 ( -7.192 0.469 -7.436) 10.356 2.850 ( 1.114 -1.639 -7.741) 7.991 3.132 ( 1.038 1.665 -6.128) 6.434 3.337 ( -2.852 -7.079 -11.082) 13.455 3.602 ( -0.624 3.250 0.910) 3.432 3.798 ( 7.688 1.881 -6.890) 10.493 3.917 ( -0.355 -4.731 4.678) 6.663 4.280 ( 2.554 -13.256 -8.351) 15.874 4.528 ( 1.018 15.105 8.018) 17.131 4.717 ( -1.639 4.200 -0.761) 4.573 5.276 ( 6.653 18.299 -3.185) 19.729 5.295 ( 5.781 17.317 -3.794) 18.647 5.811 ( 5.319 -8.584 -1.726) 10.245 5.850 ( 7.130 -7.906 -4.384) 11.513 6.337 ( 4.714 6.682 12.489) 14.928 6.605 ( -0.112 6.274 8.625) 10.666 6.686 ( 3.731 6.484 7.661) 10.708 6.865 ( -3.647 -6.714 6.195) 9.837 6.936 ( -0.364 -5.491 -0.662) 5.543 7.008 ( 0.843 -16.065 2.549) 16.287 7.594 ( 3.398 7.129 -6.061) 9.955 7.747 ( 5.926 0.232 -12.863) 14.164 8.522 ( -2.722 19.996 5.308) 20.867 8.655 ( -1.419 7.541 2.581) 8.096 8.696 ( 0.302 11.511 7.657) 13.829 8.839 ( -0.875 1.472 4.504) 4.818 9.004 ( 0.091 9.015 -3.226) 9.575 9.100 ( -3.172 -0.592 -8.119) 8.736 9.458 ( -2.101 6.076 8.942) 11.013 9.639 ( -3.517 -4.041 1.813) 5.656 10.299 ( -3.120 9.349 2.193) 10.097 10.502 ( -2.767 1.087 -4.436) 5.340 10.640 ( -3.767 2.747 -0.387) 4.678 10.763 ( -4.447 -2.508 -7.328) 8.931 16.891 ( 1.630 -1.616 -2.296) 3.247 17.063 ( 0.676 -9.226 -8.726) 12.717 17.442 ( -1.401 0.118 1.135) 1.807 17.499 ( -2.755 -1.798 -1.081) 3.463 17.684 ( 1.945 1.985 1.294) 3.066 17.740 ( 1.207 -0.369 -1.105) 1.677 17.979 ( -1.060 5.656 4.411) 7.250 17.989 ( -2.027 6.269 5.119) 8.344 19.905 ( 10.216 -0.041 0.259) 10.219 19.919 ( 11.530 -0.835 -0.357) 11.565 21.899 ( -3.813 0.074 0.410) 3.835 21.920 ( -3.658 -0.950 -0.529) 3.816 27.538 ( 0.752 -2.784 1.806) 3.403 27.602 ( 0.506 -5.725 -1.029) 5.839 27.784 ( -1.023 -2.644 0.546) 2.887 27.808 ( -1.300 -3.759 -0.483) 4.007 37.922 ( 5.083 6.995 4.518) 9.756 38.031 ( 5.229 1.893 0.691) 5.604 38.321 ( 2.111 0.907 3.957) 4.576 38.447 ( 2.589 -3.893 5.127) 6.939 38.738 ( -1.736 7.250 -8.939) 11.640 39.131 ( -3.007 -7.976 -19.216) 21.022 40.693 ( -11.440 1.903 10.883) 15.904 40.852 ( -14.514 -3.531 3.106) 15.257 ======================= Grid point 236 (83/120) ======================= q-point: ( 0.22 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 0.135 13.572 0.499) 13.582 2.584 ( 2.516 5.423 -0.206) 5.981 2.641 ( -7.272 1.162 -10.325) 12.682 2.871 ( 0.255 -3.292 -10.953) 11.440 3.164 ( 1.986 2.786 -6.547) 7.387 3.280 ( -2.421 -1.911 -7.528) 8.135 3.569 ( -3.795 5.907 5.557) 8.954 3.812 ( -5.081 3.150 -3.891) 7.133 4.037 ( 10.785 -5.698 2.856) 12.528 4.330 ( 3.196 -10.889 -5.521) 12.620 4.566 ( 2.357 11.011 6.159) 12.834 4.696 ( -0.321 5.752 0.341) 5.771 5.443 ( 9.343 19.959 -2.654) 22.197 5.446 ( 8.993 16.237 -2.051) 18.674 5.946 ( 7.678 -6.499 -1.731) 10.207 6.016 ( 8.825 -7.134 -4.141) 12.080 6.449 ( 5.304 0.611 10.543) 11.818 6.618 ( 2.052 6.002 10.560) 12.319 6.769 ( 4.166 3.440 3.924) 6.677 6.812 ( -0.915 -8.885 4.725) 10.105 6.930 ( 0.146 -3.718 -1.011) 3.856 7.065 ( 6.448 -10.573 -2.050) 12.553 7.694 ( 6.627 7.571 -0.718) 10.087 7.885 ( 7.633 -0.991 -9.087) 11.909 8.437 ( -6.100 13.861 5.674) 16.172 8.586 ( -6.224 2.258 2.263) 6.997 8.672 ( -2.847 15.292 3.638) 15.974 8.828 ( -1.533 0.789 2.906) 3.379 8.996 ( -0.547 8.232 -4.291) 9.299 9.049 ( -0.540 6.022 -3.138) 6.812 9.400 ( -3.743 5.255 7.532) 9.917 9.549 ( -5.363 -2.988 1.291) 6.273 10.225 ( -3.878 9.901 2.265) 10.871 10.428 ( -4.583 2.232 -4.390) 6.727 10.539 ( -6.166 2.746 0.148) 6.751 10.646 ( -7.188 -1.433 -5.649) 9.254 16.938 ( 3.042 -1.460 -2.149) 4.001 17.083 ( 1.344 -7.347 -7.516) 10.596 17.400 ( -2.896 -1.884 -0.027) 3.455 17.435 ( -3.624 -2.038 -1.232) 4.337 17.727 ( 2.298 2.750 1.568) 3.912 17.773 ( 2.141 0.648 -0.594) 2.315 17.938 ( -2.555 6.801 4.876) 8.750 17.960 ( -1.239 4.662 3.043) 5.704 20.180 ( 17.242 0.022 0.727) 17.257 20.222 ( 18.518 -2.344 -1.126) 18.700 21.785 ( -7.902 0.085 0.465) 7.916 21.811 ( -7.587 -1.172 -0.674) 7.706 27.559 ( 1.373 -2.843 1.625) 3.551 27.617 ( 0.937 -5.457 -0.911) 5.612 27.756 ( -1.793 -2.786 0.469) 3.346 27.774 ( -1.981 -3.611 -0.318) 4.132 38.063 ( 9.044 7.942 4.187) 12.743 38.176 ( 9.169 3.035 0.758) 9.688 38.391 ( 5.567 1.165 3.154) 6.504 38.526 ( 5.716 -4.357 2.557) 7.628 38.690 ( -3.024 5.979 -6.935) 9.643 39.047 ( -5.379 -7.193 -16.134) 18.466 40.378 ( -20.010 1.294 8.895) 21.936 40.463 ( -24.192 -0.173 4.656) 24.637 ======================= Grid point 237 (84/120) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 4.807 9.297 -4.298) 11.315 2.527 ( -2.933 -0.165 -8.153) 8.666 2.624 ( 0.366 4.773 -5.579) 7.351 2.834 ( -4.469 -3.945 -11.836) 13.253 3.199 ( 1.324 5.035 -6.206) 8.100 3.261 ( 0.479 1.313 -4.110) 4.341 3.457 ( -6.166 5.037 3.670) 8.767 3.679 ( -7.815 -1.717 -7.674) 11.086 4.253 ( 10.661 -0.220 4.629) 11.625 4.425 ( 6.207 -6.541 -1.084) 9.082 4.595 ( 0.138 8.371 5.973) 10.284 4.689 ( -0.928 4.836 2.318) 5.442 5.608 ( 6.966 20.327 -0.434) 21.492 5.614 ( 7.406 16.489 0.396) 18.080 6.084 ( 6.056 -3.447 -2.775) 7.500 6.162 ( 5.558 -5.981 -3.614) 8.928 6.508 ( 1.745 -2.950 8.159) 8.849 6.647 ( -0.840 2.297 8.180) 8.538 6.806 ( 1.232 -6.045 0.588) 6.197 6.850 ( 0.492 -10.717 1.025) 10.777 7.035 ( 13.987 5.754 4.132) 15.678 7.281 ( 14.961 -6.262 -4.630) 16.867 7.841 ( 7.649 7.920 2.457) 11.281 8.004 ( 1.796 1.608 -3.292) 4.081 8.296 ( -6.682 4.573 3.293) 8.741 8.431 ( -7.950 -0.082 1.444) 8.080 8.566 ( -8.380 13.893 2.205) 16.374 8.737 ( -6.507 4.051 -2.290) 8.000 9.046 ( 5.018 7.014 -0.305) 8.630 9.067 ( 1.773 9.120 0.270) 9.294 9.315 ( -4.612 5.023 5.490) 8.754 9.439 ( -5.755 -1.832 -0.006) 6.039 10.168 ( -1.434 10.021 1.796) 10.281 10.334 ( -4.851 3.818 -3.719) 7.207 10.418 ( -5.608 3.253 0.557) 6.507 10.499 ( -7.281 -0.084 -3.631) 8.137 17.007 ( 3.969 -1.070 -1.986) 4.566 17.114 ( 1.650 -4.449 -5.741) 7.448 17.334 ( -3.588 -3.945 -1.201) 5.466 17.362 ( -3.670 -3.127 -2.004) 5.221 17.771 ( 2.196 3.932 2.170) 4.999 17.818 ( 2.293 1.610 -0.094) 2.803 17.893 ( -2.018 6.507 4.284) 8.048 17.935 ( -1.319 3.559 1.751) 4.179 20.553 ( 20.194 0.076 0.986) 20.218 20.612 ( 20.564 -3.139 -1.606) 20.864 21.588 ( -12.310 0.087 0.577) 12.324 21.622 ( -11.767 -1.625 -0.931) 11.915 27.590 ( 1.805 -2.901 1.363) 3.678 27.638 ( 1.267 -5.052 -0.747) 5.261 27.716 ( -2.239 -2.889 0.537) 3.694 27.735 ( -1.965 -3.699 -0.279) 4.198 38.246 ( 8.539 8.245 1.984) 12.035 38.361 ( 8.875 4.893 -0.462) 10.145 38.567 ( 12.509 2.700 2.702) 13.079 38.618 ( -2.146 5.838 -5.538) 8.329 38.695 ( 10.324 -6.390 1.940) 12.295 38.930 ( -5.925 -6.308 -10.915) 13.929 39.938 ( -24.140 0.165 6.391) 24.972 39.947 ( -27.529 2.315 5.816) 28.231 ======================= Grid point 238 (85/120) ======================= q-point: ( 0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 6.692 5.852 -7.480) 11.618 2.520 ( 1.280 2.381 -8.270) 8.701 2.607 ( -0.740 1.607 -6.242) 6.488 2.703 ( -8.063 -1.790 -9.539) 12.618 3.220 ( 1.135 6.680 -3.043) 7.427 3.253 ( -2.004 6.126 -0.337) 6.454 3.417 ( 3.116 -1.929 -6.845) 7.764 3.528 ( -7.209 -3.497 -10.060) 12.861 4.439 ( 8.029 3.387 5.862) 10.502 4.545 ( 3.132 1.052 4.274) 5.402 4.563 ( -1.116 3.199 4.217) 5.409 4.646 ( -3.583 2.100 3.389) 5.361 5.705 ( 2.790 19.305 1.844) 19.592 5.712 ( 2.257 17.714 2.326) 18.008 6.181 ( 3.738 -2.327 -3.959) 5.921 6.220 ( 0.203 -4.150 -4.356) 6.020 6.550 ( 2.594 -2.199 7.013) 7.794 6.604 ( -2.833 -0.412 6.651) 7.241 6.825 ( 0.686 -8.035 0.224) 8.068 6.839 ( -0.801 -10.670 -0.506) 10.712 7.394 ( 19.906 6.120 4.121) 21.229 7.592 ( 12.434 -0.782 -3.601) 12.969 7.827 ( -10.207 1.223 2.356) 10.546 7.940 ( -6.994 -0.550 -0.786) 7.060 8.215 ( 1.787 7.216 4.990) 8.954 8.370 ( -10.289 12.555 4.260) 16.783 8.428 ( 7.222 -0.249 -2.680) 7.707 8.595 ( -8.217 3.482 -3.363) 9.537 9.110 ( 2.568 10.079 2.481) 10.692 9.137 ( 2.063 7.127 1.919) 7.663 9.250 ( -0.113 3.406 1.406) 3.686 9.326 ( -5.631 -0.569 -1.075) 5.761 10.176 ( 2.127 8.996 0.372) 9.251 10.242 ( -4.328 6.458 -1.669) 7.951 10.348 ( -1.054 2.875 -0.318) 3.079 10.381 ( -4.276 1.302 -1.736) 4.795 17.086 ( 3.778 -0.258 -1.946) 4.257 17.133 ( -0.412 -0.643 -3.279) 3.367 17.278 ( -1.302 -6.275 -2.716) 6.960 17.297 ( -2.674 -5.166 -2.999) 6.544 17.812 ( 1.900 5.142 2.843) 6.175 17.843 ( -0.893 5.407 2.646) 6.086 17.874 ( 1.173 2.651 1.266) 3.163 17.906 ( -1.607 2.606 0.895) 3.190 20.947 ( 19.574 0.106 0.949) 19.597 21.005 ( 19.172 -2.969 -1.602) 19.466 21.304 ( -16.526 0.088 0.766) 16.544 21.351 ( -15.864 -2.316 -1.286) 16.084 27.629 ( 2.083 -2.927 1.064) 3.746 27.666 ( 1.385 -4.511 -0.525) 4.747 27.672 ( -2.117 -2.972 0.728) 3.721 27.698 ( -1.759 -4.074 -0.398) 4.456 38.381 ( 5.532 7.542 -1.844) 9.533 38.459 ( -1.092 8.347 -5.163) 9.875 38.615 ( 4.900 -0.599 -0.892) 5.016 38.735 ( -4.431 0.029 -6.142) 7.573 38.938 ( 18.008 0.666 4.822) 18.655 39.009 ( 16.808 -2.612 1.360) 17.063 39.424 ( -24.306 2.085 6.011) 25.125 39.467 ( -22.921 -2.002 4.098) 23.371 ======================= Grid point 243 (86/120) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 0.000 -1.587 -0.469) 1.655 2.611 ( 0.000 1.587 -0.469) 1.655 2.821 ( 0.000 -2.377 0.450) 2.420 2.821 ( 0.000 2.377 0.450) 2.420 3.198 ( 0.000 -6.510 -10.766) 12.581 3.198 ( 0.000 6.510 -10.766) 12.581 3.647 ( 0.000 -1.913 -4.909) 5.268 3.647 ( 0.000 1.913 -4.909) 5.268 4.007 ( 0.000 -9.089 -5.209) 10.476 4.007 ( 0.000 9.089 -5.209) 10.476 4.736 ( 0.000 -4.699 5.504) 7.237 4.736 ( 0.000 4.699 5.504) 7.237 5.514 ( 0.000 -11.923 -1.260) 11.989 5.514 ( 0.000 11.923 -1.260) 11.989 5.568 ( 0.000 -12.523 -5.354) 13.620 5.568 ( 0.000 12.523 -5.354) 13.620 6.547 ( 0.000 -15.717 10.250) 18.764 6.547 ( 0.000 15.717 10.250) 18.764 6.763 ( 0.000 -3.805 9.546) 10.277 6.763 ( 0.000 3.805 9.546) 10.277 6.844 ( 0.000 -0.429 0.038) 0.431 6.844 ( 0.000 0.429 0.038) 0.431 7.665 ( 0.000 -3.241 -12.541) 12.953 7.665 ( 0.000 3.241 -12.541) 12.953 8.717 ( 0.000 -0.758 3.152) 3.242 8.717 ( 0.000 0.758 3.152) 3.242 8.850 ( 0.000 -5.226 7.970) 9.530 8.850 ( 0.000 5.226 7.970) 9.530 9.115 ( 0.000 -2.118 -4.441) 4.920 9.115 ( 0.000 2.118 -4.441) 4.920 9.596 ( 0.000 -4.445 5.084) 6.753 9.596 ( 0.000 4.445 5.084) 6.753 10.482 ( 0.000 -5.367 0.942) 5.450 10.482 ( 0.000 5.367 0.942) 5.450 10.749 ( 0.000 -3.504 -5.926) 6.884 10.749 ( 0.000 3.504 -5.926) 6.884 16.906 ( 0.000 -4.754 -6.936) 8.409 16.906 ( 0.000 4.754 -6.936) 8.409 17.481 ( 0.000 -2.062 -0.109) 2.065 17.481 ( 0.000 2.062 -0.109) 2.065 17.702 ( 0.000 -1.725 0.000) 1.725 17.702 ( 0.000 1.725 0.000) 1.725 18.067 ( 0.000 -0.806 6.124) 6.177 18.067 ( 0.000 0.806 6.124) 6.177 19.801 ( 0.000 -0.132 0.024) 0.134 19.801 ( 0.000 0.132 0.024) 0.134 21.942 ( 0.000 -0.508 -0.041) 0.509 21.942 ( 0.000 0.508 -0.041) 0.509 27.520 ( 0.000 -1.764 0.457) 1.823 27.520 ( 0.000 1.764 0.457) 1.823 27.774 ( 0.000 -0.676 -0.001) 0.676 27.774 ( 0.000 0.676 -0.001) 0.676 37.966 ( 0.000 -2.751 2.976) 4.053 37.966 ( 0.000 2.751 2.976) 4.053 38.345 ( 0.000 -3.451 6.260) 7.148 38.345 ( 0.000 3.451 6.260) 7.148 38.953 ( 0.000 -11.273 -16.738) 20.180 38.953 ( 0.000 11.273 -16.738) 20.180 40.893 ( 0.000 -5.425 7.225) 9.035 40.893 ( 0.000 5.425 7.225) 9.035 ======================= Grid point 245 (87/120) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -2.622 -7.507 0.235) 7.955 2.586 ( -2.622 7.507 0.235) 7.955 2.792 ( -2.146 -3.134 -5.537) 6.715 2.792 ( -2.146 3.134 -5.537) 6.715 3.207 ( 0.815 -5.490 -9.416) 10.930 3.207 ( 0.815 5.490 -9.416) 10.930 3.699 ( 4.212 -6.629 0.437) 7.866 3.699 ( 4.212 6.629 0.437) 7.866 4.020 ( 1.311 -11.210 -6.288) 12.920 4.020 ( 1.311 11.210 -6.288) 12.920 4.728 ( -0.472 -4.249 5.054) 6.620 4.728 ( -0.472 4.249 5.054) 6.620 5.577 ( 5.994 -10.376 -0.811) 12.010 5.577 ( 5.994 10.376 -0.811) 12.010 5.639 ( 7.070 -11.786 -6.285) 15.113 5.639 ( 7.070 11.786 -6.285) 15.113 6.557 ( 0.746 -14.118 9.580) 17.078 6.557 ( 0.746 14.118 9.580) 17.078 6.760 ( -0.366 -3.437 8.544) 9.217 6.760 ( -0.366 3.437 8.544) 9.217 6.851 ( 1.377 -1.922 0.364) 2.393 6.851 ( 1.377 1.922 0.364) 2.393 7.709 ( 4.293 -4.052 -10.683) 12.206 7.709 ( 4.293 4.052 -10.683) 12.206 8.683 ( -3.704 -1.419 3.004) 4.975 8.683 ( -3.704 1.419 3.004) 4.975 8.854 ( 0.234 -3.720 7.340) 8.232 8.854 ( 0.234 3.720 7.340) 8.232 9.107 ( -0.761 -1.524 -4.298) 4.623 9.107 ( -0.761 1.524 -4.298) 4.623 9.567 ( -2.848 -4.102 5.012) 7.075 9.567 ( -2.848 4.102 5.012) 7.075 10.456 ( -2.528 -5.584 1.064) 6.221 10.456 ( -2.528 5.584 1.064) 6.221 10.710 ( -3.856 -3.367 -5.659) 7.631 10.710 ( -3.856 3.367 -5.659) 7.631 16.921 ( 1.485 -4.554 -6.675) 8.216 16.921 ( 1.485 4.554 -6.675) 8.216 17.455 ( -2.461 -1.699 -0.375) 3.014 17.455 ( -2.461 1.699 -0.375) 3.014 17.722 ( 1.928 -1.464 0.245) 2.433 17.722 ( 1.928 1.464 0.245) 2.433 18.050 ( -1.585 -0.478 5.730) 5.964 18.050 ( -1.585 0.478 5.730) 5.964 19.908 ( 10.519 -0.337 0.021) 10.525 19.908 ( 10.519 0.337 0.021) 10.525 21.905 ( -3.766 -0.547 -0.052) 3.805 21.905 ( -3.766 0.547 -0.052) 3.805 27.526 ( 0.666 -1.701 0.445) 1.880 27.526 ( 0.666 1.701 0.445) 1.880 27.763 ( -1.146 -0.600 0.026) 1.294 27.763 ( -1.146 0.600 0.026) 1.294 38.020 ( 5.528 -2.806 3.088) 6.926 38.020 ( 5.528 2.806 3.088) 6.926 38.366 ( 2.211 -3.563 5.607) 7.001 38.366 ( 2.211 3.563 5.607) 7.001 38.929 ( -2.364 -10.951 -15.940) 19.483 38.929 ( -2.364 10.951 -15.940) 19.483 40.769 ( -12.346 -4.658 7.119) 14.993 40.769 ( -12.346 4.658 7.119) 14.993 ======================= Grid point 247 (88/120) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -3.598 -8.449 -1.959) 9.390 2.517 ( -3.598 8.449 -1.959) 9.390 2.762 ( -1.038 -7.074 -11.000) 13.119 2.762 ( -1.038 7.074 -11.000) 13.119 3.228 ( 1.284 -3.181 -7.383) 8.141 3.228 ( 1.284 3.181 -7.383) 8.141 3.724 ( -3.588 -8.951 4.007) 10.443 3.724 ( -3.588 8.951 4.007) 10.443 4.098 ( 7.804 -10.147 -4.498) 13.568 4.098 ( 7.804 10.147 -4.498) 13.568 4.726 ( 0.161 -3.319 4.833) 5.865 4.726 ( 0.161 3.319 4.833) 5.865 5.729 ( 8.918 -9.714 -0.532) 13.198 5.729 ( 8.918 9.714 -0.532) 13.198 5.816 ( 9.784 -11.897 -7.243) 17.022 5.816 ( 9.784 11.897 -7.243) 17.022 6.567 ( 0.258 -10.992 7.074) 13.074 6.567 ( 0.258 10.992 7.074) 13.074 6.752 ( -0.509 -5.072 7.733) 9.262 6.752 ( -0.509 5.072 7.733) 9.262 6.929 ( 7.374 -3.338 0.744) 8.128 6.929 ( 7.374 3.338 0.744) 8.128 7.823 ( 7.090 -5.045 -6.742) 11.008 7.823 ( 7.090 5.045 -6.742) 11.008 8.565 ( -8.337 -3.067 2.482) 9.223 8.565 ( -8.337 3.067 2.482) 9.223 8.841 ( -2.242 -2.392 5.151) 6.106 8.841 ( -2.242 2.392 5.151) 6.106 9.099 ( 0.470 -1.570 -2.858) 3.294 9.099 ( 0.470 1.570 -2.858) 3.294 9.493 ( -4.516 -3.459 4.454) 7.225 9.493 ( -4.516 3.459 4.454) 7.225 10.393 ( -3.525 -5.668 1.245) 6.790 10.393 ( -3.525 5.668 1.245) 6.790 10.608 ( -6.217 -2.979 -4.817) 8.410 10.608 ( -6.217 2.979 -4.817) 8.410 16.963 ( 2.846 -3.998 -5.974) 7.731 16.963 ( 2.846 3.998 -5.974) 7.731 17.391 ( -3.925 -1.306 -0.985) 4.252 17.391 ( -3.925 1.306 -0.985) 4.252 17.770 ( 2.758 -1.218 0.763) 3.110 17.770 ( 2.758 1.218 0.763) 3.110 18.012 ( -2.146 -0.347 4.803) 5.272 18.012 ( -2.146 0.347 4.803) 5.272 20.190 ( 17.567 -0.998 -0.031) 17.596 20.190 ( 17.567 0.998 -0.031) 17.596 21.792 ( -7.826 -0.660 -0.083) 7.854 21.792 ( -7.826 0.660 -0.083) 7.854 27.545 ( 1.230 -1.526 0.410) 2.002 27.545 ( 1.230 1.526 0.410) 2.002 27.732 ( -1.904 -0.469 0.091) 1.963 27.732 ( -1.904 0.469 0.091) 1.963 38.175 ( 9.839 -2.978 3.296) 10.795 38.175 ( 9.839 2.978 3.296) 10.795 38.437 ( 5.451 -3.657 3.838) 7.604 38.437 ( 5.451 3.657 3.838) 7.604 38.863 ( -4.259 -10.069 -13.664) 17.499 38.863 ( -4.259 10.069 -13.664) 17.499 40.431 ( -21.477 -2.836 6.736) 22.687 40.431 ( -21.477 2.836 6.736) 22.687 ======================= Grid point 249 (89/120) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 0.420 -4.629 -5.284) 7.037 2.481 ( 0.420 4.629 -5.284) 7.037 2.732 ( -2.528 -5.769 -11.281) 12.920 2.732 ( -2.528 5.769 -11.281) 12.920 3.259 ( 2.064 -1.360 -6.100) 6.582 3.259 ( 2.064 1.360 -6.100) 6.582 3.586 ( -8.810 -6.781 -1.246) 11.187 3.586 ( -8.810 6.781 -1.246) 11.187 4.296 ( 11.073 -5.031 1.643) 12.273 4.296 ( 11.073 5.031 1.643) 12.273 4.716 ( -1.692 -2.560 5.547) 6.339 4.716 ( -1.692 2.560 5.547) 6.339 5.899 ( 7.832 -9.018 -0.940) 11.981 5.899 ( 7.832 9.018 -0.940) 11.981 5.980 ( 6.223 -11.119 -6.717) 14.404 5.980 ( 6.223 11.119 -6.717) 14.404 6.577 ( 1.082 -9.779 5.029) 11.049 6.577 ( 1.082 9.779 5.029) 11.049 6.731 ( -1.826 -4.632 6.781) 8.413 6.731 ( -1.826 4.632 6.781) 8.413 7.157 ( 15.749 -6.250 0.536) 16.952 7.157 ( 15.749 6.250 0.536) 16.952 7.966 ( 5.860 -4.455 -2.867) 7.899 7.966 ( 5.860 4.455 -2.867) 7.899 8.371 ( -9.832 -3.840 1.704) 10.692 8.371 ( -9.832 3.840 1.704) 10.692 8.747 ( -7.447 -4.168 2.763) 8.971 8.747 ( -7.447 4.168 2.763) 8.971 9.136 ( 3.131 -1.312 -0.600) 3.447 9.136 ( 3.131 1.312 -0.600) 3.447 9.398 ( -5.005 -2.827 3.076) 6.520 9.398 ( -5.005 2.827 3.076) 6.520 10.334 ( -2.096 -4.583 1.046) 5.148 10.334 ( -2.096 4.583 1.046) 5.148 10.482 ( -6.286 -2.203 -3.377) 7.468 10.482 ( -6.286 2.203 -3.377) 7.468 17.030 ( 3.949 -3.213 -5.004) 7.139 17.030 ( 3.949 3.213 -5.004) 7.139 17.306 ( -4.703 -1.317 -1.819) 5.211 17.306 ( -4.703 1.317 -1.819) 5.211 17.826 ( 2.851 -1.188 1.381) 3.383 17.826 ( 2.851 1.188 1.381) 3.383 17.969 ( -2.166 -0.891 3.763) 4.432 17.969 ( -2.166 0.891 3.763) 4.432 20.567 ( 20.313 -1.407 -0.120) 20.362 20.567 ( 20.313 1.407 -0.120) 20.362 21.597 ( -12.186 -0.860 -0.128) 12.217 21.597 ( -12.186 0.860 -0.128) 12.217 27.574 ( 1.646 -1.276 0.359) 2.114 27.574 ( 1.646 1.276 0.359) 2.114 27.691 ( -2.181 -0.503 0.167) 2.244 27.691 ( -2.181 0.503 0.167) 2.244 38.368 ( 8.759 -3.671 1.994) 9.704 38.368 ( 8.759 3.671 1.994) 9.704 38.608 ( 12.312 -2.432 2.235) 12.747 38.608 ( 12.312 2.432 2.235) 12.747 38.772 ( -4.201 -8.726 -9.724) 13.724 38.772 ( -4.201 8.726 -9.724) 13.724 39.959 ( -25.836 -0.901 6.001) 26.539 39.959 ( -25.836 0.901 6.001) 26.539 ======================= Grid point 251 (90/120) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 5.053 -1.143 -7.154) 8.833 2.538 ( 5.053 1.143 -7.154) 8.833 2.651 ( -5.622 -2.987 -9.106) 11.111 2.651 ( -5.622 2.987 -9.106) 11.111 3.317 ( 4.068 -2.859 -6.261) 7.995 3.317 ( 4.068 2.859 -6.261) 7.995 3.425 ( -7.029 -5.416 -5.507) 10.444 3.425 ( -7.029 5.416 -5.507) 10.444 4.499 ( 9.274 -2.918 4.907) 10.890 4.499 ( 9.274 2.918 4.907) 10.890 4.647 ( -5.576 -2.318 5.948) 8.476 4.647 ( -5.576 2.318 5.948) 8.476 6.017 ( 3.959 -8.106 -2.482) 9.357 6.017 ( 3.959 8.106 -2.482) 9.357 6.049 ( 0.856 -9.025 -4.761) 10.239 6.049 ( 0.856 9.025 -4.761) 10.239 6.616 ( 2.869 -7.338 4.772) 9.211 6.616 ( 2.869 7.338 4.772) 9.211 6.679 ( -3.252 -5.042 5.344) 8.035 6.679 ( -3.252 5.042 5.344) 8.035 7.517 ( 19.854 -5.796 0.206) 20.684 7.517 ( 19.854 5.796 0.206) 20.684 7.881 ( -15.193 -3.802 -0.134) 15.662 7.881 ( -15.193 3.803 -0.134) 15.662 8.352 ( 8.496 -5.794 1.022) 10.334 8.352 ( 8.496 5.794 1.022) 10.334 8.561 ( -10.986 -5.930 1.821) 12.617 8.561 ( -10.986 5.930 1.821) 12.617 9.211 ( 4.333 -0.587 0.502) 4.401 9.211 ( 4.333 0.587 0.502) 4.401 9.301 ( -4.835 -1.845 1.542) 5.400 9.301 ( -4.835 1.845 1.542) 5.400 10.323 ( 1.051 -2.367 0.086) 2.591 10.323 ( 1.051 2.367 0.086) 2.591 10.376 ( -4.273 -1.095 -1.562) 4.679 10.376 ( -4.273 1.095 -1.562) 4.679 17.116 ( 4.676 -2.382 -3.919) 6.549 17.116 ( 4.676 2.382 -3.919) 6.549 17.211 ( -4.942 -1.701 -2.825) 5.941 17.211 ( -4.942 1.701 -2.825) 5.941 17.879 ( 2.578 -1.233 2.065) 3.526 17.879 ( 2.578 1.233 2.065) 3.526 17.926 ( -2.273 -1.183 2.841) 3.825 17.926 ( -2.273 1.183 2.841) 3.825 20.962 ( 19.509 -1.404 -0.174) 19.560 20.962 ( 19.509 1.404 -0.174) 19.560 21.316 ( -16.390 -1.149 -0.169) 16.431 21.316 ( -16.390 1.149 -0.169) 16.431 27.609 ( 1.938 -0.996 0.300) 2.199 27.609 ( 1.938 0.996 0.300) 2.199 27.649 ( -2.134 -0.721 0.237) 2.265 27.649 ( -2.134 0.721 0.237) 2.265 38.514 ( 6.607 -5.376 -1.916) 8.731 38.514 ( 6.607 5.376 -1.916) 8.731 38.637 ( -5.830 -6.691 -5.918) 10.667 38.637 ( -5.830 6.691 -5.918) 10.667 38.982 ( 21.347 -1.572 3.536) 21.695 38.982 ( 21.347 1.572 3.536) 21.695 39.449 ( -25.611 -0.572 4.959) 26.093 39.449 ( -25.611 0.572 4.959) 26.093 ======================= Grid point 297 (91/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 0.000 0.000 -30.276) 30.276 1.742 ( 0.000 0.000 30.276) 30.276 1.977 ( 0.000 0.000 -28.171) 28.171 1.977 ( 0.000 0.000 28.171) 28.171 3.238 ( 0.000 0.000 -2.361) 2.361 3.238 ( 0.000 0.000 2.361) 2.361 3.264 ( 0.000 0.000 -35.258) 35.258 3.264 ( 0.000 0.000 35.258) 35.258 3.769 ( 0.000 0.000 -15.526) 15.526 3.769 ( 0.000 0.000 15.526) 15.526 4.090 ( 0.000 0.000 -8.220) 8.220 4.090 ( 0.000 0.000 8.220) 8.220 4.985 ( 0.000 0.000 -18.441) 18.441 4.985 ( 0.000 0.000 18.441) 18.441 5.870 ( 0.000 0.000 -19.997) 19.997 5.870 ( 0.000 0.000 19.997) 19.997 6.190 ( 0.000 0.000 -0.073) 0.073 6.190 ( 0.000 0.000 0.073) 0.073 6.305 ( 0.000 0.000 -4.269) 4.269 6.305 ( 0.000 0.000 4.269) 4.269 6.845 ( 0.000 0.000 -12.628) 12.628 6.845 ( 0.000 0.000 12.628) 12.628 6.868 ( 0.000 0.000 -13.154) 13.154 6.868 ( 0.000 0.000 13.154) 13.154 7.006 ( 0.000 0.000 -22.122) 22.122 7.006 ( 0.000 0.000 22.122) 22.122 7.820 ( 0.000 0.000 -9.802) 9.802 7.820 ( 0.000 0.000 9.802) 9.802 9.328 ( 0.000 0.000 -12.583) 12.583 9.328 ( 0.000 0.000 12.583) 12.583 9.728 ( 0.000 0.000 -14.756) 14.756 9.728 ( 0.000 0.000 14.756) 14.756 10.634 ( 0.000 0.000 -4.366) 4.366 10.634 ( 0.000 0.000 4.366) 4.366 11.055 ( 0.000 0.000 -12.233) 12.233 11.055 ( 0.000 0.000 12.233) 12.233 16.768 ( 0.000 0.000 -4.827) 4.827 16.768 ( 0.000 0.000 4.827) 4.827 17.281 ( 0.000 0.000 -5.881) 5.881 17.281 ( 0.000 0.000 5.881) 5.881 17.769 ( 0.000 0.000 -13.994) 13.994 17.769 ( 0.000 0.000 13.994) 13.994 18.188 ( 0.000 0.000 -6.139) 6.139 18.188 ( 0.000 0.000 6.139) 6.139 19.804 ( 0.000 0.000 -0.400) 0.400 19.804 ( 0.000 0.000 0.400) 0.400 21.982 ( 0.000 0.000 -1.570) 1.570 21.982 ( 0.000 0.000 1.570) 1.570 27.984 ( 0.000 0.000 -4.052) 4.052 27.984 ( 0.000 0.000 4.052) 4.052 28.113 ( 0.000 0.000 -2.064) 2.064 28.113 ( 0.000 0.000 2.064) 2.064 37.439 ( 0.000 0.000 -5.484) 5.484 37.439 ( 0.000 0.000 5.484) 5.484 38.265 ( 0.000 0.000 -2.086) 2.086 38.265 ( 0.000 0.000 2.086) 2.086 38.737 ( 0.000 0.000 -4.047) 4.047 38.737 ( 0.000 0.000 4.047) 4.047 41.562 ( 0.000 0.000 -3.244) 3.244 41.562 ( 0.000 0.000 3.244) 3.244 ======================= Grid point 299 (92/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 4.673 0.000 -28.518) 28.899 1.789 ( 4.673 0.000 28.518) 28.899 1.939 ( -3.246 0.000 -27.369) 27.561 1.939 ( -3.246 0.000 27.369) 27.561 3.193 ( -4.509 0.000 -2.947) 5.387 3.193 ( -4.509 0.000 2.947) 5.387 3.340 ( 5.841 0.000 -24.898) 25.573 3.340 ( 5.841 0.000 24.898) 25.573 3.700 ( -4.849 0.000 -20.551) 21.115 3.700 ( -4.849 0.000 20.551) 21.115 4.117 ( 2.649 0.000 -7.661) 8.106 4.117 ( 2.649 0.000 7.661) 8.106 5.006 ( 1.619 0.000 -15.475) 15.560 5.006 ( 1.619 0.000 15.475) 15.560 5.905 ( 3.477 0.000 -19.152) 19.465 5.905 ( 3.477 0.000 19.152) 19.465 6.229 ( 3.631 0.000 -2.215) 4.253 6.229 ( 3.631 0.000 2.215) 4.253 6.391 ( 7.561 0.000 -9.450) 12.103 6.391 ( 7.561 0.000 9.450) 12.103 6.880 ( 2.796 0.000 -16.657) 16.890 6.880 ( 2.796 0.000 16.657) 16.890 6.886 ( 1.672 0.000 -14.509) 14.605 6.886 ( 1.672 0.000 14.509) 14.605 7.000 ( 0.498 0.000 -15.243) 15.252 7.000 ( 0.498 0.000 15.243) 15.252 7.893 ( 7.443 0.000 -7.786) 10.771 7.893 ( 7.443 0.000 7.786) 10.771 9.258 ( -7.097 0.000 -12.380) 14.270 9.258 ( -7.097 0.000 12.380) 14.270 9.691 ( -3.583 0.000 -14.273) 14.715 9.691 ( -3.583 0.000 14.273) 14.715 10.595 ( -3.900 0.000 -3.740) 5.404 10.595 ( -3.900 0.000 3.740) 5.404 10.978 ( -7.240 0.000 -9.780) 12.168 10.978 ( -7.240 0.000 9.780) 12.168 16.782 ( 1.469 0.000 -4.839) 5.057 16.782 ( 1.469 0.000 4.839) 5.057 17.266 ( -1.568 0.000 -5.829) 6.036 17.266 ( -1.568 0.000 5.829) 6.036 17.771 ( 0.184 0.000 -13.868) 13.869 17.771 ( 0.184 0.000 13.868) 13.869 18.134 ( -4.569 0.000 -7.398) 8.695 18.134 ( -4.569 0.000 7.398) 8.695 19.976 ( 15.997 0.000 -3.433) 16.361 19.976 ( 15.997 0.000 3.433) 16.361 21.949 ( -3.421 0.000 -1.719) 3.829 21.949 ( -3.421 0.000 1.719) 3.829 27.987 ( 0.264 0.000 -3.798) 3.807 27.987 ( 0.264 0.000 3.798) 3.807 28.101 ( -1.110 0.000 -1.691) 2.023 28.101 ( -1.110 0.000 1.691) 2.023 37.460 ( 2.190 0.000 -5.460) 5.883 37.460 ( 2.190 0.000 5.460) 5.883 38.238 ( -2.694 0.000 -2.395) 3.605 38.238 ( -2.694 0.000 2.395) 3.605 38.772 ( 3.583 0.000 -3.093) 4.734 38.772 ( 3.583 0.000 3.093) 4.734 41.331 ( -21.932 0.000 -3.847) 22.267 41.331 ( -21.932 0.000 3.847) 22.267 ======================= Grid point 301 (93/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -0.049 0.000 -23.522) 23.522 1.894 ( -0.049 0.000 23.522) 23.522 1.920 ( 8.517 0.000 -23.975) 25.443 1.920 ( 8.517 0.000 23.975) 25.443 3.064 ( -8.520 0.000 -4.292) 9.540 3.064 ( -8.520 0.000 4.292) 9.540 3.289 ( -12.534 0.000 -7.781) 14.752 3.289 ( -12.534 0.000 7.781) 14.752 3.782 ( 14.288 0.000 -33.198) 36.142 3.782 ( 14.288 0.000 33.198) 36.142 4.185 ( 3.892 0.000 -6.149) 7.277 4.185 ( 3.892 0.000 6.149) 7.277 5.023 ( -0.404 0.000 -9.388) 9.397 5.023 ( -0.404 0.000 9.388) 9.397 6.000 ( 5.875 0.000 -17.380) 18.346 6.000 ( 5.875 0.000 17.380) 18.346 6.311 ( 4.266 0.000 -2.674) 5.035 6.311 ( 4.266 0.000 2.674) 5.035 6.547 ( 7.608 0.000 -15.066) 16.878 6.547 ( 7.608 0.000 15.066) 16.878 6.871 ( -3.759 0.000 -26.213) 26.482 6.871 ( -3.759 0.000 26.213) 26.482 6.919 ( 1.329 0.000 -17.655) 17.705 6.919 ( 1.329 0.000 17.655) 17.705 7.122 ( 12.312 0.000 -1.981) 12.471 7.122 ( 12.312 0.000 1.981) 12.471 8.101 ( 12.975 0.000 -8.405) 15.459 8.101 ( 12.975 0.000 8.405) 15.459 9.054 ( -13.556 0.000 -11.741) 17.934 9.054 ( -13.556 0.000 11.741) 17.934 9.597 ( -5.674 0.000 -12.906) 14.098 9.597 ( -5.674 0.000 12.906) 14.098 10.490 ( -6.331 0.000 -2.264) 6.723 10.490 ( -6.331 0.000 2.264) 6.723 10.808 ( -9.278 0.000 -5.622) 10.848 10.808 ( -9.278 0.000 5.622) 10.848 16.824 ( 2.722 0.000 -4.855) 5.566 16.824 ( 2.722 0.000 4.855) 5.566 17.221 ( -2.881 0.000 -5.662) 6.353 17.221 ( -2.881 0.000 5.662) 6.353 17.775 ( 0.229 0.000 -12.785) 12.787 17.775 ( 0.229 0.000 12.785) 12.787 18.046 ( -3.772 0.000 -7.841) 8.701 18.046 ( -3.772 0.000 7.841) 8.701 20.355 ( 21.195 0.000 -8.396) 22.797 20.355 ( 21.195 0.000 8.396) 22.797 21.848 ( -6.878 0.000 -2.260) 7.240 21.848 ( -6.878 0.000 2.260) 7.240 27.993 ( 0.307 0.000 -3.032) 3.047 27.993 ( 0.307 0.000 3.032) 3.047 28.077 ( -1.204 0.000 -0.849) 1.473 28.077 ( -1.204 0.000 0.849) 1.473 37.523 ( 4.157 0.000 -5.358) 6.782 37.523 ( 4.157 0.000 5.358) 6.782 38.162 ( -4.929 0.000 -3.061) 5.802 38.162 ( -4.929 0.000 3.061) 5.802 38.879 ( 7.453 0.000 -0.341) 7.461 38.879 ( 7.453 0.000 0.341) 7.461 40.799 ( -29.967 0.000 -12.931) 32.638 40.799 ( -29.967 0.000 12.931) 32.638 ======================= Grid point 303 (94/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 8.172 0.000 -16.098) 18.053 1.971 ( 8.172 0.000 16.098) 18.053 2.113 ( 10.948 0.000 -18.161) 21.206 2.113 ( 10.948 0.000 18.161) 21.206 2.869 ( -11.052 0.000 -6.003) 12.577 2.869 ( -11.052 0.000 6.003) 12.577 2.969 ( -18.439 0.000 -9.449) 20.719 2.969 ( -18.439 0.000 9.449) 20.719 4.120 ( 18.087 0.000 -24.714) 30.625 4.120 ( 18.087 0.000 24.714) 30.625 4.256 ( 3.143 0.000 -3.975) 5.068 4.256 ( 3.143 0.000 3.975) 5.068 4.973 ( -4.934 0.000 -5.202) 7.170 4.973 ( -4.934 0.000 5.202) 7.170 6.120 ( 5.916 0.000 -13.943) 15.146 6.120 ( 5.916 0.000 13.943) 15.146 6.390 ( 4.024 0.000 -1.150) 4.185 6.390 ( 4.024 0.000 1.150) 4.185 6.682 ( 6.227 0.000 -17.962) 19.011 6.682 ( 6.227 0.000 17.962) 19.011 6.769 ( -6.300 0.000 -23.541) 24.369 6.769 ( -6.300 0.000 23.541) 24.369 6.924 ( -1.000 0.000 -19.600) 19.626 6.924 ( -1.000 0.000 19.600) 19.626 7.443 ( 19.647 0.000 -4.310) 20.114 7.443 ( 19.647 0.000 4.310) 20.114 8.358 ( 12.125 0.000 -9.785) 15.581 8.358 ( 12.125 0.000 9.785) 15.581 8.735 ( -18.694 0.000 -10.571) 21.476 8.735 ( -18.694 0.000 10.571) 21.476 9.485 ( -5.314 0.000 -10.280) 11.572 9.485 ( -5.314 0.000 10.280) 11.572 10.375 ( -4.686 0.000 -1.730) 4.995 10.375 ( -4.686 0.000 1.730) 4.995 10.635 ( -8.043 0.000 -3.170) 8.645 10.635 ( -8.043 0.000 3.170) 8.645 16.886 ( 3.510 0.000 -4.754) 5.910 16.886 ( 3.510 0.000 4.754) 5.910 17.156 ( -3.658 0.000 -5.282) 6.425 17.156 ( -3.658 0.000 5.282) 6.425 17.779 ( 0.163 0.000 -9.364) 9.366 17.779 ( 0.163 0.000 9.364) 9.366 17.992 ( -1.811 0.000 -5.845) 6.119 17.992 ( -1.811 0.000 5.845) 6.119 20.766 ( 20.185 0.000 -9.581) 22.344 20.766 ( 20.185 0.000 9.581) 22.344 21.679 ( -10.365 0.000 -3.480) 10.934 21.679 ( -10.365 0.000 3.480) 10.934 27.997 ( 0.099 0.000 -1.844) 1.847 27.997 ( 0.099 0.000 1.844) 1.847 28.059 ( -0.572 0.000 -0.300) 0.645 28.059 ( -0.572 0.000 0.300) 0.645 37.619 ( 5.571 0.000 -5.054) 7.522 37.619 ( 5.571 0.000 5.054) 7.522 38.051 ( -6.249 0.000 -3.663) 7.243 38.051 ( -6.249 0.000 3.663) 7.243 39.067 ( 11.786 0.000 -3.916) 12.419 39.067 ( 11.786 0.000 3.916) 12.419 40.225 ( -27.687 0.000 -16.232) 32.094 40.225 ( -27.687 0.000 16.232) 32.094 ======================= Grid point 305 (95/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 13.144 0.000 -9.059) 15.963 2.196 ( 13.144 0.000 9.059) 15.963 2.329 ( 9.959 0.000 -10.919) 14.779 2.329 ( 9.959 0.000 10.919) 14.779 2.610 ( -16.551 0.000 -7.961) 18.366 2.610 ( -16.551 0.000 7.961) 18.366 2.651 ( -10.011 0.000 -6.827) 12.117 2.651 ( -10.011 0.000 6.827) 12.117 4.300 ( 1.163 0.000 -1.377) 1.802 4.300 ( 1.163 0.000 1.377) 1.802 4.434 ( 11.953 0.000 -12.925) 17.605 4.434 ( 11.953 0.000 12.925) 17.605 4.842 ( -7.046 0.000 -5.683) 9.052 4.842 ( -7.046 0.000 5.683) 9.052 6.207 ( 2.394 0.000 -5.341) 5.853 6.207 ( 2.394 0.000 5.341) 5.853 6.481 ( 5.146 0.000 -8.660) 10.074 6.481 ( 5.146 0.000 8.660) 10.074 6.639 ( -6.356 0.000 -16.993) 18.143 6.639 ( -6.356 0.000 16.993) 18.143 6.794 ( 5.173 0.000 -19.167) 19.853 6.794 ( 5.173 0.000 19.167) 19.853 6.880 ( -3.451 0.000 -19.737) 20.036 6.880 ( -3.451 0.000 19.737) 20.036 7.857 ( 21.248 0.000 -6.128) 22.115 7.857 ( 21.248 0.000 6.128) 22.115 8.340 ( -20.603 0.000 -8.371) 22.239 8.340 ( -20.603 0.000 8.371) 22.239 8.533 ( 4.919 0.000 -4.695) 6.799 8.533 ( 4.919 0.000 4.695) 6.799 9.407 ( -2.235 0.000 -4.415) 4.949 9.407 ( -2.235 0.000 4.415) 4.949 10.321 ( -0.976 0.000 -1.048) 1.432 10.321 ( -0.976 0.000 1.048) 1.432 10.511 ( -3.882 0.000 -1.405) 4.129 10.511 ( -3.882 0.000 1.405) 4.129 16.953 ( 2.794 0.000 -3.396) 4.398 16.953 ( 2.794 0.000 3.396) 4.398 17.087 ( -2.854 0.000 -3.579) 4.578 17.087 ( -2.854 0.000 3.579) 4.578 17.781 ( 0.060 0.000 -3.453) 3.453 17.781 ( 0.060 0.000 3.453) 3.453 17.971 ( -0.488 0.000 -2.145) 2.200 17.971 ( -0.488 0.000 2.145) 2.200 21.133 ( 17.069 0.000 -7.887) 18.803 21.133 ( 17.069 0.000 7.887) 18.803 21.443 ( -13.674 0.000 -5.446) 14.719 21.443 ( -13.674 0.000 5.446) 14.719 27.997 ( -0.016 0.000 -0.593) 0.593 27.997 ( -0.016 0.000 0.593) 0.593 28.053 ( -0.104 0.000 -0.207) 0.231 28.053 ( -0.104 0.000 0.207) 0.231 37.729 ( 4.836 0.000 -3.582) 6.019 37.729 ( 4.836 0.000 3.582) 6.019 37.931 ( -5.104 0.000 -3.119) 5.982 37.931 ( -5.104 0.000 3.119) 5.982 39.343 ( 16.264 0.000 -8.769) 18.477 39.343 ( 16.264 0.000 8.769) 18.477 39.737 ( -21.792 0.000 -13.610) 25.693 39.737 ( -21.792 0.000 13.610) 25.693 ======================= Grid point 315 (96/120) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 0.000 12.074 -1.456) 12.162 2.008 ( 0.000 12.074 1.456) 12.162 2.052 ( 0.000 15.119 -2.313) 15.294 2.052 ( 0.000 15.119 2.313) 15.294 3.168 ( 0.000 2.939 -11.864) 12.222 3.168 ( 0.000 2.939 11.864) 12.222 3.442 ( 0.000 9.076 -16.058) 18.445 3.442 ( 0.000 9.076 16.058) 18.445 3.703 ( 0.000 -5.029 -19.510) 20.148 3.703 ( 0.000 -5.029 19.510) 20.148 4.207 ( 0.000 10.455 -5.945) 12.027 4.207 ( 0.000 10.455 5.945) 12.027 4.913 ( 0.000 -6.940 -17.614) 18.932 4.913 ( 0.000 -6.940 17.614) 18.932 6.040 ( 0.000 8.348 -12.988) 15.439 6.040 ( 0.000 8.348 12.988) 15.439 6.224 ( 0.000 -0.359 -0.765) 0.845 6.224 ( 0.000 -0.359 0.765) 0.845 6.384 ( 0.000 18.692 -9.433) 20.937 6.384 ( 0.000 18.692 9.433) 20.937 6.784 ( 0.000 -0.347 -16.874) 16.877 6.784 ( 0.000 -0.347 16.874) 16.877 7.047 ( 0.000 10.644 -16.827) 19.911 7.047 ( 0.000 10.644 16.827) 19.911 7.258 ( 0.000 23.238 -11.326) 25.852 7.258 ( 0.000 23.238 11.326) 25.852 7.799 ( 0.000 -1.179 -7.100) 7.197 7.799 ( 0.000 -1.179 7.100) 7.197 9.313 ( 0.000 -1.784 -11.265) 11.406 9.313 ( 0.000 -1.784 11.265) 11.406 9.715 ( 0.000 -1.272 -14.361) 14.417 9.715 ( 0.000 -1.272 14.361) 14.417 10.532 ( 0.000 -9.768 -5.171) 11.052 10.532 ( 0.000 -9.768 5.171) 11.052 10.972 ( 0.000 -6.595 -9.937) 11.927 10.972 ( 0.000 -6.595 9.937) 11.927 16.921 ( 0.000 13.810 -5.467) 14.853 16.921 ( 0.000 13.810 5.467) 14.853 17.312 ( 0.000 2.985 -5.489) 6.248 17.312 ( 0.000 2.985 5.489) 6.248 17.698 ( 0.000 -6.922 -14.136) 15.740 17.698 ( 0.000 -6.922 14.136) 15.740 18.113 ( 0.000 -6.556 -6.222) 9.038 18.113 ( 0.000 -6.556 6.222) 9.038 19.804 ( 0.000 -0.017 -0.382) 0.382 19.804 ( 0.000 -0.017 0.382) 0.382 21.979 ( 0.000 -0.369 -1.491) 1.536 21.979 ( 0.000 -0.369 1.491) 1.536 27.939 ( 0.000 -4.316 -3.984) 5.874 27.939 ( 0.000 -4.316 3.984) 5.874 28.082 ( 0.000 -3.062 -1.969) 3.640 28.082 ( 0.000 -3.062 1.969) 3.640 37.495 ( 0.000 5.460 -5.577) 7.805 37.495 ( 0.000 5.460 5.577) 7.805 38.316 ( 0.000 3.909 -0.102) 3.910 38.316 ( 0.000 3.909 0.102) 3.910 38.769 ( 0.000 3.370 -5.997) 6.879 38.769 ( 0.000 3.370 5.997) 6.879 41.447 ( 0.000 -10.479 -2.965) 10.891 41.447 ( 0.000 -10.479 2.965) 10.891 ======================= Grid point 317 (97/120) ======================= q-point: ( 0.11 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -2.890 6.119 -24.321) 25.245 1.968 ( -2.890 6.119 24.321) 25.245 2.099 ( 4.116 21.369 -23.268) 31.858 2.099 ( 4.116 21.369 23.268) 31.858 3.162 ( -2.182 1.654 -4.090) 4.922 3.162 ( -2.182 1.654 4.090) 4.922 3.452 ( 0.670 6.462 -12.300) 13.911 3.452 ( 0.670 6.462 12.300) 13.911 3.682 ( -0.442 -0.181 -26.079) 26.084 3.682 ( -0.442 -0.181 26.079) 26.084 4.223 ( 1.828 9.824 -5.806) 11.557 4.223 ( 1.828 9.824 5.806) 11.557 4.937 ( 2.146 -6.438 -14.755) 16.241 4.937 ( 2.146 -6.438 14.755) 16.241 6.079 ( 3.678 9.555 -12.645) 16.270 6.079 ( 3.678 9.555 12.645) 16.270 6.304 ( 7.149 2.449 -0.874) 7.608 6.304 ( 7.149 2.449 0.874) 7.608 6.431 ( 4.776 14.704 -8.866) 17.822 6.431 ( 4.776 14.704 8.866) 17.822 6.788 ( 0.613 -1.406 -14.806) 14.886 6.788 ( 0.613 -1.406 14.806) 14.886 7.053 ( 0.289 9.831 -15.565) 18.412 7.053 ( 0.289 9.831 15.565) 18.412 7.252 ( -0.252 21.616 -8.321) 23.163 7.252 ( -0.252 21.616 8.321) 23.163 7.882 ( 8.321 -0.056 -6.302) 10.438 7.882 ( 8.321 -0.056 6.302) 10.438 9.243 ( -7.008 -1.692 -10.975) 13.131 9.243 ( -7.008 -1.692 10.975) 13.131 9.678 ( -3.586 -1.258 -13.793) 14.307 9.678 ( -3.586 -1.258 13.793) 14.307 10.491 ( -4.025 -9.791 -4.431) 11.476 10.491 ( -4.025 -9.791 4.431) 11.476 10.910 ( -5.849 -5.429 -8.205) 11.446 10.910 ( -5.849 -5.429 8.205) 11.446 16.925 ( 0.414 12.849 -5.181) 13.860 16.925 ( 0.414 12.849 5.181) 13.860 17.297 ( -1.483 3.036 -5.437) 6.402 17.297 ( -1.483 3.036 5.437) 6.402 17.703 ( 0.526 -6.498 -13.857) 15.314 17.703 ( 0.526 -6.498 13.857) 15.314 18.071 ( -3.547 -5.529 -7.043) 9.631 18.071 ( -3.547 -5.529 7.043) 9.631 19.964 ( 15.076 -1.065 -2.764) 15.365 19.964 ( 15.076 -1.065 2.764) 15.365 21.945 ( -3.465 -0.406 -1.629) 3.850 21.945 ( -3.465 -0.406 1.629) 3.850 27.943 ( 0.322 -4.270 -3.764) 5.701 27.943 ( 0.322 -4.270 3.764) 5.701 28.069 ( -1.166 -3.093 -1.643) 3.691 28.069 ( -1.166 -3.093 1.643) 3.691 37.519 ( 2.428 5.695 -5.522) 8.296 37.519 ( 2.428 5.695 5.522) 8.296 38.300 ( -1.778 4.932 -0.869) 5.314 38.300 ( -1.778 4.932 0.869) 5.314 38.792 ( 2.546 2.270 -4.858) 5.935 38.792 ( 2.546 2.270 4.858) 5.935 41.234 ( -20.380 -8.881 -3.078) 22.443 41.234 ( -20.380 -8.881 3.078) 22.443 ======================= Grid point 319 (98/120) ======================= q-point: ( 0.22 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 0.025 4.302 -21.667) 22.090 1.931 ( 0.025 4.302 21.667) 22.090 2.210 ( 7.239 22.770 -20.451) 31.450 2.210 ( 7.239 22.770 20.451) 31.450 3.046 ( -9.312 -0.283 -3.299) 9.884 3.046 ( -9.312 -0.283 3.299) 9.884 3.368 ( -9.646 5.904 -4.057) 12.015 3.368 ( -9.646 5.904 4.057) 12.015 3.808 ( 12.867 3.771 -30.581) 33.391 3.808 ( 12.867 3.771 30.581) 33.391 4.280 ( 3.809 8.699 -5.753) 11.104 4.280 ( 3.809 8.699 5.753) 11.104 4.975 ( 1.142 -4.257 -9.141) 10.148 4.975 ( 1.142 -4.257 9.141) 10.148 6.174 ( 5.839 10.443 -11.510) 16.602 6.174 ( 5.839 10.443 11.510) 16.602 6.439 ( 5.558 12.798 -3.762) 14.451 6.439 ( 5.558 12.798 3.762) 14.451 6.562 ( 7.614 5.323 -12.117) 15.268 6.562 ( 7.614 5.323 12.117) 15.268 6.819 ( 2.518 -3.460 -11.498) 12.268 6.819 ( 2.518 -3.460 11.498) 12.268 7.041 ( -1.921 11.184 -16.231) 19.805 7.041 ( -1.921 11.184 16.231) 19.805 7.282 ( 4.690 14.390 -1.999) 15.267 7.282 ( 4.690 14.390 1.999) 15.267 8.102 ( 13.182 0.953 -8.387) 15.653 8.102 ( 13.182 0.953 8.387) 15.653 9.045 ( -13.022 -1.119 -10.093) 16.513 9.045 ( -13.022 -1.119 10.093) 16.513 9.583 ( -5.873 -1.435 -12.382) 13.779 9.583 ( -5.873 -1.435 12.382) 13.779 10.389 ( -5.759 -9.125 -2.836) 11.157 10.389 ( -5.759 -9.125 2.836) 11.157 10.766 ( -8.353 -3.665 -5.242) 10.520 10.766 ( -8.353 -3.665 5.242) 10.520 16.941 ( 1.254 10.560 -4.701) 11.627 16.941 ( 1.254 10.560 4.701) 11.627 17.256 ( -2.630 3.314 -5.280) 6.766 17.256 ( -2.630 3.314 5.280) 6.766 17.717 ( 0.914 -5.326 -12.578) 13.689 17.717 ( 0.914 -5.326 12.578) 13.689 18.001 ( -3.168 -4.153 -7.339) 9.008 18.001 ( -3.168 -4.153 7.339) 9.008 20.329 ( 20.792 -2.366 -7.088) 22.094 20.329 ( 20.792 -2.366 7.088) 22.094 21.842 ( -6.996 -0.549 -2.120) 7.331 21.842 ( -6.996 -0.549 2.120) 7.331 27.951 ( 0.457 -4.103 -3.116) 5.172 27.951 ( 0.457 -4.103 3.116) 5.172 28.042 ( -1.393 -3.277 -0.903) 3.673 28.042 ( -1.393 -3.277 0.903) 3.673 37.588 ( 4.570 6.331 -5.324) 9.450 37.588 ( 4.570 6.331 5.324) 9.450 38.243 ( -4.009 7.048 -1.836) 8.314 38.243 ( -4.009 7.048 1.836) 8.314 38.877 ( 6.287 -0.082 -1.586) 6.484 38.877 ( 6.287 -0.082 1.586) 6.484 40.732 ( -28.694 -6.181 -11.031) 31.357 40.732 ( -28.694 -6.181 11.031) 31.357 ======================= Grid point 321 (99/120) ======================= q-point: ( 0.33 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 6.706 3.118 -14.619) 16.383 1.995 ( 6.706 3.118 14.619) 16.383 2.381 ( 10.060 21.220 -15.618) 28.203 2.381 ( 10.060 21.220 15.618) 28.203 2.820 ( -13.245 -1.738 -4.847) 14.211 2.820 ( -13.245 -1.738 4.847) 14.211 3.131 ( -13.495 12.040 -4.928) 18.745 3.131 ( -13.495 12.040 4.928) 18.745 4.089 ( 13.878 -0.157 -19.732) 24.124 4.089 ( 13.878 -0.157 19.732) 24.124 4.363 ( 4.621 7.758 -5.917) 10.796 4.363 ( 4.621 7.758 5.917) 10.796 4.966 ( -2.298 0.088 -4.682) 5.216 4.966 ( -2.298 0.088 4.682) 5.216 6.294 ( 5.843 9.843 -9.111) 14.630 6.294 ( 5.843 9.843 9.111) 14.630 6.525 ( 3.649 14.894 -5.315) 16.229 6.525 ( 3.649 14.894 5.315) 16.229 6.686 ( 4.805 3.930 -13.321) 14.696 6.686 ( 4.805 3.930 13.321) 14.696 6.856 ( 0.256 1.564 -10.843) 10.958 6.856 ( 0.256 1.564 10.843) 10.958 6.981 ( -3.720 11.831 -13.169) 18.090 6.981 ( -3.720 11.831 13.169) 18.090 7.480 ( 15.559 4.080 -3.141) 16.389 7.480 ( 15.559 4.080 3.141) 16.389 8.345 ( 9.369 -0.671 -7.009) 11.719 8.345 ( 9.369 -0.671 7.009) 11.719 8.754 ( -15.300 1.493 -7.110) 16.937 8.754 ( -15.300 1.493 7.110) 16.937 9.465 ( -5.703 -2.008 -10.008) 11.693 9.465 ( -5.703 -2.008 10.008) 11.693 10.291 ( -3.734 -7.537 -1.867) 8.616 10.291 ( -3.734 -7.537 1.867) 8.616 10.601 ( -8.030 -3.150 -3.301) 9.236 10.601 ( -8.030 -3.150 3.301) 9.236 16.974 ( 2.138 7.992 -4.310) 9.328 16.974 ( 2.138 7.992 4.310) 9.328 17.198 ( -3.159 4.007 -4.864) 7.050 17.198 ( -3.159 4.007 4.864) 7.050 17.736 ( 0.930 -3.802 -9.410) 10.191 17.736 ( 0.930 -3.802 9.410) 10.191 17.953 ( -1.772 -3.723 -5.864) 7.168 17.953 ( -1.772 -3.723 5.864) 7.168 20.738 ( 20.359 -2.576 -8.364) 22.160 20.738 ( 20.359 -2.576 8.364) 22.160 21.670 ( -10.599 -0.869 -3.213) 11.109 21.670 ( -10.599 -0.869 3.213) 11.109 27.959 ( 0.322 -3.757 -2.068) 4.300 27.959 ( 0.322 -3.757 2.068) 4.300 28.020 ( -0.855 -3.711 -0.189) 3.813 28.020 ( -0.855 -3.711 0.189) 3.813 37.693 ( 5.983 7.122 -4.845) 10.487 37.693 ( 5.983 7.122 4.845) 10.487 38.146 ( -5.757 8.734 -2.711) 10.806 38.146 ( -5.757 8.734 2.711) 10.806 39.045 ( 11.002 -2.106 -3.123) 11.629 39.045 ( 11.002 -2.106 3.123) 11.629 40.174 ( -27.190 -4.669 -14.485) 31.159 40.174 ( -27.190 -4.669 14.485) 31.159 ======================= Grid point 323 (100/120) ======================= q-point: ( 0.44 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 9.626 0.696 -6.777) 11.793 2.172 ( 9.626 0.696 6.777) 11.793 2.544 ( -8.083 1.685 -4.854) 9.578 2.544 ( -8.083 1.685 4.854) 9.578 2.614 ( 8.585 16.709 -6.526) 19.887 2.614 ( 8.585 16.709 6.526) 19.887 2.862 ( -13.614 16.112 -6.327) 22.022 2.862 ( -13.614 16.112 6.327) 22.022 4.279 ( 4.490 -0.878 -4.911) 6.712 4.279 ( 4.490 -0.878 4.911) 6.712 4.466 ( 4.943 2.160 -5.446) 7.665 4.466 ( 4.943 2.160 5.446) 7.665 4.899 ( -3.322 6.337 -2.894) 7.719 4.899 ( -3.322 6.337 2.894) 7.719 6.379 ( 2.312 8.970 -3.269) 9.823 6.379 ( 2.312 8.970 3.269) 9.823 6.596 ( 3.406 11.014 -6.906) 13.439 6.596 ( 3.406 11.014 6.906) 13.439 6.735 ( -0.508 10.444 -7.308) 12.757 6.735 ( -0.508 10.444 7.308) 12.757 6.850 ( 1.060 7.494 -11.908) 14.110 6.850 ( 1.060 7.494 11.908) 14.110 6.912 ( -3.191 6.172 -12.679) 14.458 6.912 ( -3.191 6.172 12.679) 14.458 7.849 ( 20.476 -0.610 -6.474) 21.484 7.849 ( 20.476 -0.610 6.474) 21.484 8.265 ( -17.337 -4.837 -7.337) 19.437 8.265 ( -17.337 -4.837 7.337) 19.437 8.626 ( 1.909 6.875 -3.893) 8.128 8.626 ( 1.909 6.875 3.893) 8.128 9.379 ( -2.502 -2.738 -4.455) 5.797 9.379 ( -2.502 -2.738 4.455) 5.797 10.251 ( -0.534 -6.270 -1.012) 6.374 10.251 ( -0.534 -6.270 1.012) 6.374 10.474 ( -4.033 -3.398 -1.480) 5.477 10.474 ( -4.033 -3.398 1.480) 5.477 17.017 ( 1.782 5.753 -2.771) 6.630 17.017 ( 1.782 5.753 2.771) 6.630 17.142 ( -2.148 5.203 -2.990) 6.374 17.142 ( -2.148 5.203 2.990) 6.374 17.750 ( 0.409 -2.642 -3.648) 4.523 17.750 ( 0.409 -2.642 3.648) 4.523 17.930 ( -0.567 -3.889 -2.371) 4.590 17.930 ( -0.567 -3.889 2.371) 4.590 21.112 ( 17.486 -2.038 -7.062) 18.968 21.112 ( 17.486 -2.038 7.062) 18.968 21.428 ( -14.059 -1.426 -4.967) 14.979 21.428 ( -14.059 -1.426 4.967) 14.979 27.963 ( 0.085 -3.380 -0.721) 3.457 27.963 ( 0.085 -3.380 0.721) 3.457 28.009 ( -0.233 -4.169 -0.064) 4.176 28.009 ( -0.233 -4.169 0.064) 4.176 37.808 ( 4.806 7.479 -3.139) 9.427 37.808 ( 4.806 7.479 3.139) 9.427 38.034 ( -4.760 9.732 -2.421) 11.101 38.034 ( -4.760 9.732 2.421) 11.101 39.311 ( 16.168 -3.147 -8.223) 18.410 39.311 ( 16.168 -3.147 8.223) 18.410 39.691 ( -21.872 -4.273 -12.676) 25.638 39.691 ( -21.872 -4.273 12.676) 25.638 ======================= Grid point 333 (101/120) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 0.000 8.359 -16.987) 18.932 2.160 ( 0.000 8.359 16.987) 18.932 2.383 ( 0.000 11.527 -15.655) 19.441 2.383 ( 0.000 11.527 15.655) 19.441 3.343 ( 0.000 6.811 -6.693) 9.549 3.343 ( 0.000 6.811 6.693) 9.549 3.556 ( 0.000 0.819 -1.782) 1.961 3.556 ( 0.000 0.819 1.782) 1.961 3.717 ( 0.000 13.775 -30.779) 33.721 3.717 ( 0.000 13.775 30.779) 33.721 4.467 ( 0.000 14.537 -3.978) 15.072 4.467 ( 0.000 14.537 3.978) 15.072 4.731 ( 0.000 -10.089 -14.851) 17.954 4.731 ( 0.000 -10.089 14.851) 17.954 6.022 ( 0.000 -5.760 -6.298) 8.535 6.022 ( 0.000 -5.760 6.298) 8.535 6.275 ( 0.000 4.590 -2.264) 5.118 6.275 ( 0.000 4.590 2.264) 5.118 6.764 ( 0.000 4.185 -18.600) 19.065 6.764 ( 0.000 4.185 18.600) 19.065 7.035 ( 0.000 28.419 -10.107) 30.163 7.035 ( 0.000 28.419 10.107) 30.163 7.331 ( 0.000 22.896 -12.422) 26.049 7.331 ( 0.000 22.896 12.422) 26.049 7.533 ( 0.000 -3.562 -12.617) 13.110 7.533 ( 0.000 -3.562 12.617) 13.110 8.020 ( 0.000 27.842 -0.815) 27.854 8.020 ( 0.000 27.842 0.815) 27.854 9.238 ( 0.000 -6.214 -8.717) 10.706 9.238 ( 0.000 -6.214 8.717) 10.706 9.683 ( 0.000 -1.758 -12.808) 12.928 9.683 ( 0.000 -1.758 12.808) 12.928 10.323 ( 0.000 -8.235 -6.708) 10.621 10.323 ( 0.000 -8.235 6.708) 10.621 10.848 ( 0.000 -5.444 -7.269) 9.082 10.848 ( 0.000 -5.444 7.269) 9.082 17.191 ( 0.000 7.325 -1.241) 7.429 17.191 ( 0.000 7.325 1.241) 7.429 17.390 ( 0.000 4.531 -4.388) 6.308 17.390 ( 0.000 4.531 4.388) 6.308 17.554 ( 0.000 -2.697 -9.594) 9.965 17.554 ( 0.000 -2.697 9.594) 9.965 17.974 ( 0.000 -6.354 -5.382) 8.327 17.974 ( 0.000 -6.354 5.382) 8.327 19.803 ( 0.000 -0.032 -0.329) 0.331 19.803 ( 0.000 -0.032 0.329) 0.331 21.969 ( 0.000 -0.595 -1.273) 1.405 21.969 ( 0.000 -0.595 1.273) 1.405 27.824 ( 0.000 -6.904 -3.696) 7.831 27.824 ( 0.000 -6.904 3.696) 7.831 27.999 ( 0.000 -5.020 -1.696) 5.299 27.999 ( 0.000 -5.020 1.696) 5.299 37.641 ( 0.000 8.729 -5.625) 10.385 37.641 ( 0.000 8.729 5.625) 10.385 38.370 ( 0.000 1.212 -2.712) 2.970 38.370 ( 0.000 1.212 2.712) 2.970 38.855 ( 0.000 4.108 -10.729) 11.488 38.855 ( 0.000 4.108 10.729) 11.488 41.211 ( 0.000 -11.479 -4.217) 12.229 41.211 ( 0.000 -11.479 4.217) 12.229 ======================= Grid point 335 (102/120) ======================= q-point: ( 0.11 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -3.900 8.257 -20.785) 22.703 2.106 ( -3.900 8.257 20.785) 22.703 2.456 ( 5.908 11.757 -17.583) 21.961 2.456 ( 5.908 11.757 17.583) 21.961 3.272 ( -6.977 4.205 -6.117) 10.187 3.272 ( -6.977 4.205 6.117) 10.187 3.530 ( -1.695 3.456 -0.295) 3.861 3.530 ( -1.695 3.456 0.295) 3.861 3.802 ( 7.253 13.984 -27.659) 31.831 3.802 ( 7.253 13.984 27.659) 31.831 4.461 ( -0.326 11.718 -1.991) 11.891 4.461 ( -0.326 11.718 1.991) 11.891 4.784 ( 5.093 -6.656 -11.051) 13.869 4.784 ( 5.093 -6.656 11.051) 13.869 6.093 ( 6.293 -5.140 -6.971) 10.706 6.093 ( 6.293 -5.140 6.971) 10.706 6.345 ( 7.158 3.774 -3.077) 8.657 6.345 ( 7.158 3.774 3.077) 8.657 6.758 ( -0.382 3.775 -16.709) 17.135 6.758 ( -0.382 3.775 16.709) 17.135 7.034 ( -0.063 24.121 -7.354) 25.217 7.034 ( -0.063 24.121 7.354) 25.217 7.314 ( -1.128 22.774 -8.666) 24.393 7.314 ( -1.128 22.774 8.666) 24.393 7.570 ( 2.812 3.359 -10.534) 11.409 7.570 ( 2.812 3.359 10.534) 11.409 8.071 ( 5.309 23.649 -3.075) 24.432 8.071 ( 5.309 23.649 3.075) 24.432 9.174 ( -6.400 -5.690 -8.283) 11.915 9.174 ( -6.400 -5.690 8.283) 11.915 9.647 ( -3.622 -1.748 -12.124) 12.773 9.647 ( -3.622 -1.748 12.124) 12.773 10.286 ( -3.494 -7.965 -6.026) 10.581 10.286 ( -3.494 -7.965 6.026) 10.581 10.803 ( -4.451 -4.979 -6.432) 9.272 10.803 ( -4.451 -4.979 6.432) 9.272 17.175 ( -1.404 6.927 -1.680) 7.264 17.175 ( -1.404 6.927 1.680) 7.264 17.376 ( -1.332 4.730 -4.440) 6.622 17.376 ( -1.332 4.730 4.440) 6.622 17.574 ( 1.851 -2.354 -9.376) 9.842 17.574 ( 1.851 -2.354 9.376) 9.842 17.950 ( -2.153 -5.774 -5.837) 8.488 17.950 ( -2.153 -5.774 5.837) 8.488 19.941 ( 13.235 -1.117 -1.629) 13.382 19.941 ( 13.235 -1.117 1.629) 13.382 21.934 ( -3.568 -0.648 -1.383) 3.882 21.934 ( -3.568 -0.648 1.383) 3.882 27.828 ( 0.428 -6.853 -3.530) 7.721 27.828 ( 0.428 -6.853 3.530) 7.721 27.986 ( -1.220 -5.014 -1.458) 5.362 27.986 ( -1.220 -5.014 1.458) 5.362 37.672 ( 3.085 9.150 -5.537) 11.131 37.672 ( 3.085 9.150 5.537) 11.131 38.376 ( 0.485 2.129 -2.661) 3.443 38.376 ( 0.485 2.129 2.661) 3.443 38.856 ( 0.223 3.194 -9.562) 10.083 38.856 ( 0.223 3.194 9.562) 10.083 41.033 ( -17.268 -9.728 -1.683) 19.891 41.033 ( -17.268 -9.728 1.683) 19.891 ======================= Grid point 337 (103/120) ======================= q-point: ( 0.22 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -0.874 7.633 -18.909) 20.410 2.052 ( -0.874 7.633 18.909) 20.410 2.580 ( 6.426 11.010 -15.212) 19.848 2.580 ( 6.426 11.010 15.212) 19.848 3.093 ( -10.648 4.318 -5.158) 12.595 3.093 ( -10.648 4.318 5.158) 12.595 3.477 ( -4.263 5.400 -2.210) 7.226 3.477 ( -4.263 5.400 2.210) 7.226 3.976 ( 10.142 13.320 -23.191) 28.603 3.976 ( 10.142 13.320 23.191) 28.603 4.464 ( 0.704 6.700 -1.804) 6.974 4.464 ( 0.704 6.700 1.804) 6.974 4.909 ( 6.999 0.478 -6.220) 9.375 4.909 ( 6.999 0.478 6.220) 9.375 6.224 ( 6.283 -3.437 -7.203) 10.157 6.224 ( 6.283 -3.437 7.203) 10.157 6.537 ( 11.111 2.197 -2.998) 11.716 6.537 ( 11.111 2.197 2.998) 11.716 6.765 ( 1.592 2.340 -13.166) 13.467 6.765 ( 1.592 2.340 13.166) 13.467 7.038 ( 0.704 17.068 -5.576) 17.970 7.038 ( 0.704 17.068 5.576) 17.970 7.304 ( 0.329 24.592 -7.166) 25.617 7.304 ( 0.329 24.592 7.166) 25.617 7.614 ( 1.608 13.782 -11.437) 17.981 7.614 ( 1.608 13.782 11.437) 17.981 8.224 ( 9.582 14.336 -7.026) 18.620 8.224 ( 9.582 14.336 7.026) 18.620 8.997 ( -11.210 -3.953 -6.745) 13.667 8.997 ( -11.210 -3.953 6.745) 13.667 9.547 ( -6.277 -1.842 -10.622) 12.475 9.547 ( -6.277 -1.842 10.622) 12.475 10.204 ( -4.336 -7.186 -4.368) 9.461 10.204 ( -4.336 -7.186 4.368) 9.461 10.683 ( -7.487 -4.242 -4.810) 9.859 10.683 ( -7.487 -4.242 4.810) 9.859 17.146 ( -1.345 5.967 -2.174) 6.491 17.146 ( -1.345 5.967 2.174) 6.491 17.343 ( -1.987 5.277 -4.288) 7.084 17.343 ( -1.987 5.277 4.288) 7.084 17.620 ( 2.660 -1.674 -8.888) 9.427 17.620 ( 2.660 -1.674 8.888) 9.427 17.904 ( -2.333 -4.899 -6.257) 8.282 17.904 ( -2.333 -4.899 6.257) 8.282 20.275 ( 19.746 -2.748 -4.559) 20.451 20.275 ( 19.746 -2.748 4.559) 20.451 21.828 ( -7.278 -0.851 -1.754) 7.535 21.828 ( -7.278 -0.851 1.754) 7.535 27.840 ( 0.719 -6.683 -3.060) 7.386 27.840 ( 0.719 -6.683 3.060) 7.386 27.956 ( -1.682 -5.114 -0.958) 5.468 27.956 ( -1.682 -5.114 0.958) 5.468 37.758 ( 5.609 10.220 -5.197) 12.763 37.758 ( 5.609 10.220 5.197) 12.763 38.380 ( -0.510 5.314 -1.948) 5.683 38.380 ( -0.510 5.314 1.948) 5.683 38.880 ( 2.774 0.153 -5.651) 6.298 38.880 ( 2.774 0.153 5.651) 6.298 40.593 ( -26.100 -6.665 -5.683) 27.531 40.593 ( -26.100 -6.665 5.683) 27.531 ======================= Grid point 339 (104/120) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 4.737 6.023 -13.062) 15.144 2.089 ( 4.737 6.023 13.062) 15.144 2.678 ( 0.953 3.507 -11.167) 11.743 2.678 ( 0.953 3.507 11.167) 11.743 2.900 ( -6.104 11.811 -5.701) 14.466 2.900 ( -6.104 11.811 5.701) 14.466 3.358 ( -7.570 9.292 -4.102) 12.667 3.358 ( -7.570 9.292 4.102) 12.667 4.175 ( 9.336 9.133 -15.886) 20.566 4.175 ( 9.336 9.133 15.886) 20.566 4.485 ( 1.129 2.945 -3.728) 4.883 4.485 ( 1.129 2.945 3.728) 4.883 5.033 ( 5.203 8.142 -3.017) 10.123 5.033 ( 5.203 8.142 3.017) 10.123 6.322 ( 3.504 -3.803 -5.747) 7.731 6.322 ( 3.504 -3.803 5.747) 7.731 6.704 ( 5.170 2.076 -7.946) 9.704 6.704 ( 5.170 2.076 7.946) 9.704 6.830 ( 3.914 1.674 -10.055) 10.919 6.830 ( 3.914 1.674 10.055) 10.919 7.078 ( 3.457 17.208 -6.095) 18.580 7.078 ( 3.457 17.208 6.095) 18.580 7.332 ( 2.369 25.104 -6.912) 26.146 7.332 ( 2.369 25.104 6.912) 26.146 7.664 ( 5.118 15.336 -9.011) 18.509 7.664 ( 5.118 15.336 9.011) 18.509 8.376 ( 2.265 5.007 -2.029) 5.858 8.376 ( 2.265 5.007 2.029) 5.858 8.781 ( -7.821 1.361 -1.501) 8.079 8.781 ( -7.821 1.361 1.501) 8.079 9.416 ( -6.668 -2.433 -8.898) 11.382 9.416 ( -6.668 -2.433 8.898) 11.382 10.136 ( -2.249 -6.262 -2.544) 7.124 10.136 ( -2.249 -6.262 2.544) 7.124 10.526 ( -8.086 -3.942 -3.342) 9.597 10.526 ( -8.086 -3.942 3.342) 9.597 17.129 ( -0.403 4.733 -2.119) 5.201 17.129 ( -0.403 4.733 2.119) 5.201 17.303 ( -1.996 6.036 -3.502) 7.258 17.303 ( -1.996 6.036 3.502) 7.258 17.672 ( 2.575 -0.858 -7.695) 8.160 17.672 ( 2.575 -0.858 7.695) 8.160 17.863 ( -1.846 -4.558 -5.906) 7.685 17.863 ( -1.846 -4.558 5.906) 7.685 20.677 ( 20.557 -3.284 -5.768) 21.602 20.677 ( 20.557 -3.284 5.768) 21.602 21.648 ( -11.146 -1.297 -2.547) 11.507 21.648 ( -11.146 -1.297 2.547) 11.507 27.855 ( 0.822 -6.336 -2.360) 6.811 27.855 ( 0.822 -6.336 2.360) 6.811 27.925 ( -1.450 -5.486 -0.687) 5.716 27.925 ( -1.450 -5.486 0.687) 5.716 37.882 ( 6.703 11.201 -4.373) 13.766 37.882 ( 6.703 11.201 4.373) 13.766 38.346 ( -2.901 10.013 -1.105) 10.483 38.346 ( -2.901 10.013 1.105) 10.483 38.986 ( 8.488 -3.801 -0.667) 9.324 38.986 ( 8.488 -3.801 0.667) 9.324 40.068 ( -26.398 -5.142 -9.425) 28.498 40.068 ( -26.398 -5.142 9.425) 28.498 ======================= Grid point 341 (105/120) ======================= q-point: ( 0.44 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 7.185 3.733 -6.059) 10.113 2.221 ( 7.185 3.733 6.059) 10.113 2.550 ( -8.870 0.618 -5.061) 10.231 2.550 ( -8.870 0.618 5.061) 10.231 2.937 ( 5.326 12.716 -5.829) 14.968 2.937 ( 5.326 12.716 5.829) 14.968 3.207 ( -6.622 14.910 -3.973) 16.791 3.207 ( -6.622 14.910 3.973) 16.791 4.312 ( 3.971 4.960 -6.424) 9.036 4.312 ( 3.971 4.960 6.424) 9.036 4.500 ( 0.330 1.449 -2.982) 3.332 4.500 ( 0.330 1.449 2.982) 3.332 5.102 ( 1.775 13.648 -0.852) 13.789 5.102 ( 1.775 13.648 0.852) 13.789 6.363 ( 0.918 -5.232 -2.268) 5.776 6.363 ( 0.918 -5.232 2.268) 5.776 6.770 ( 1.805 -0.958 -5.334) 5.712 6.770 ( 1.805 -0.958 5.334) 5.712 6.871 ( 0.621 4.288 -6.445) 7.766 6.871 ( 0.621 4.288 6.445) 7.766 7.136 ( 1.671 22.582 -2.939) 22.834 7.136 ( 1.671 22.582 2.939) 22.834 7.367 ( 0.685 30.169 -3.743) 30.408 7.367 ( 0.685 30.169 3.743) 30.408 7.870 ( 15.549 4.856 -7.649) 17.996 7.870 ( 15.549 4.856 7.649) 17.996 8.205 ( -16.349 -0.465 -7.804) 18.122 8.205 ( -16.349 -0.465 7.804) 18.122 8.772 ( 2.944 7.960 -4.800) 9.750 8.772 ( 2.944 7.960 4.800) 9.750 9.309 ( -3.409 -3.743 -4.531) 6.794 9.309 ( -3.409 -3.743 4.531) 6.794 10.118 ( 0.054 -5.758 -0.998) 5.844 10.118 ( 0.054 -5.758 0.998) 5.844 10.396 ( -4.215 -3.913 -1.479) 5.939 10.396 ( -4.215 -3.913 1.479) 5.939 17.127 ( 0.095 3.605 -1.021) 3.748 17.127 ( 0.095 3.605 1.021) 3.748 17.272 ( -0.944 6.843 -1.512) 7.072 17.272 ( -0.944 6.843 1.512) 7.072 17.713 ( 1.306 0.131 -3.887) 4.103 17.713 ( 1.306 0.131 3.887) 4.103 17.834 ( -0.946 -4.955 -3.233) 5.992 17.834 ( -0.946 -4.955 3.233) 5.992 21.061 ( 18.331 -2.794 -5.157) 19.246 21.061 ( 18.331 -2.794 5.157) 19.246 21.392 ( -14.914 -2.036 -3.793) 15.523 21.392 ( -14.914 -2.036 3.793) 15.523 27.870 ( 0.624 -5.676 -1.277) 5.852 27.870 ( 0.624 -5.676 1.277) 5.852 27.901 ( -0.823 -6.208 -0.662) 6.297 27.901 ( -0.823 -6.208 0.662) 6.297 37.998 ( 4.181 10.834 -2.250) 11.829 37.998 ( 4.181 10.834 2.250) 11.829 38.281 ( -2.848 13.954 -1.082) 14.283 38.281 ( -2.848 13.954 1.082) 14.283 39.219 ( 15.242 -6.048 -6.072) 17.486 39.219 ( 15.242 -6.048 6.072) 17.486 39.590 ( -21.739 -5.022 -9.334) 24.185 39.590 ( -21.739 -5.022 9.334) 24.185 ======================= Grid point 351 (106/120) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 0.000 9.090 -5.360) 10.553 2.338 ( 0.000 9.090 5.360) 10.553 2.573 ( 0.000 9.149 -3.488) 9.791 2.573 ( 0.000 9.149 3.488) 9.791 3.292 ( 0.000 -7.350 -11.740) 13.850 3.292 ( 0.000 -7.350 11.740) 13.850 3.589 ( 0.000 1.436 -1.852) 2.343 3.589 ( 0.000 1.436 1.852) 2.343 4.095 ( 0.000 13.988 -13.937) 19.746 4.095 ( 0.000 13.988 13.937) 19.746 4.510 ( 0.000 -3.285 -13.207) 13.609 4.510 ( 0.000 -3.285 13.207) 13.609 4.831 ( 0.000 17.273 -0.754) 17.290 4.831 ( 0.000 17.273 0.754) 17.290 5.892 ( 0.000 -7.100 -3.047) 7.726 5.892 ( 0.000 -7.100 3.047) 7.726 6.380 ( 0.000 6.060 -6.459) 8.856 6.380 ( 0.000 6.060 6.459) 8.856 6.829 ( 0.000 3.180 -13.270) 13.646 6.829 ( 0.000 3.180 13.270) 13.646 7.313 ( 0.000 -6.818 -14.194) 15.747 7.313 ( 0.000 -6.818 14.194) 15.747 7.372 ( 0.000 1.873 -0.120) 1.877 7.372 ( 0.000 1.873 0.120) 1.877 8.044 ( 0.000 38.452 -7.591) 39.194 8.044 ( 0.000 38.452 7.591) 39.194 8.571 ( 0.000 23.278 -6.014) 24.042 8.571 ( 0.000 23.278 6.014) 24.042 9.077 ( 0.000 -8.718 -7.319) 11.383 9.077 ( 0.000 -8.718 7.319) 11.383 9.652 ( 0.000 -1.061 -9.960) 10.016 9.652 ( 0.000 -1.061 9.960) 10.016 10.278 ( 0.000 3.681 -7.736) 8.567 10.278 ( 0.000 3.681 7.736) 8.567 10.756 ( 0.000 -3.835 -5.472) 6.682 10.756 ( 0.000 -3.835 5.472) 6.682 17.094 ( 0.000 -10.754 -7.927) 13.360 17.094 ( 0.000 -10.754 7.927) 13.360 17.472 ( 0.000 3.087 -3.344) 4.551 17.472 ( 0.000 3.087 3.344) 4.551 17.665 ( 0.000 5.496 -1.167) 5.619 17.665 ( 0.000 5.496 1.167) 5.619 17.916 ( 0.000 3.006 -1.485) 3.353 17.916 ( 0.000 3.006 1.485) 3.353 19.802 ( 0.000 -0.038 -0.244) 0.247 19.802 ( 0.000 -0.038 0.244) 0.247 21.956 ( 0.000 -0.620 -0.937) 1.124 21.956 ( 0.000 -0.620 0.937) 1.124 27.682 ( 0.000 -6.851 -2.980) 7.471 27.682 ( 0.000 -6.851 2.980) 7.471 27.894 ( 0.000 -5.132 -1.252) 5.282 27.894 ( 0.000 -5.132 1.252) 5.282 37.819 ( 0.000 8.506 -5.064) 9.900 37.819 ( 0.000 8.506 5.064) 9.900 38.382 ( 0.000 0.590 -4.467) 4.505 38.382 ( 0.000 0.590 4.467) 4.505 38.884 ( 0.000 -1.794 -14.737) 14.846 38.884 ( 0.000 -1.794 14.737) 14.846 41.037 ( 0.000 -5.612 -6.202) 8.364 41.037 ( 0.000 -5.612 6.202) 8.364 ======================= Grid point 353 (107/120) ======================= q-point: ( 0.11 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -3.915 9.726 -14.624) 17.994 2.288 ( -3.915 9.726 14.624) 17.994 2.621 ( 3.718 6.348 -10.481) 12.805 2.621 ( 3.718 6.348 10.481) 12.805 3.238 ( -4.541 -5.146 -9.579) 11.784 3.238 ( -4.541 -5.146 9.579) 11.784 3.607 ( 0.889 3.247 -3.764) 5.050 3.607 ( 0.889 3.247 3.764) 5.050 4.148 ( 4.844 12.812 -14.534) 19.971 4.148 ( 4.844 12.812 14.534) 19.971 4.490 ( -1.446 -2.378 -10.807) 11.159 4.490 ( -1.446 -2.378 10.807) 11.159 4.903 ( 7.075 16.113 -1.043) 17.629 4.903 ( 7.075 16.113 1.043) 17.629 5.961 ( 6.504 -7.450 -3.790) 10.591 5.961 ( 6.504 -7.450 3.790) 10.591 6.439 ( 5.841 5.457 -6.127) 10.072 6.439 ( 5.841 5.457 6.127) 10.072 6.823 ( -0.478 3.251 -12.529) 12.953 6.823 ( -0.478 3.251 12.529) 12.953 7.176 ( -6.827 -4.589 -9.368) 12.467 7.176 ( -6.827 -4.589 9.368) 12.467 7.536 ( 9.575 -0.142 -6.447) 11.544 7.536 ( 9.575 -0.142 6.447) 11.544 8.045 ( 0.159 37.826 -7.290) 38.522 8.045 ( 0.159 37.826 7.290) 38.522 8.584 ( 1.231 22.589 -5.088) 23.187 8.584 ( 1.231 22.589 5.088) 23.187 9.027 ( -4.881 -7.819 -6.659) 11.371 9.027 ( -4.881 -7.819 6.659) 11.371 9.618 ( -3.475 -0.943 -9.248) 9.924 9.618 ( -3.475 -0.943 9.248) 9.924 10.244 ( -3.282 3.749 -7.531) 9.030 10.244 ( -3.282 3.749 7.531) 9.030 10.717 ( -3.923 -3.635 -5.046) 7.352 10.717 ( -3.923 -3.635 5.046) 7.352 17.095 ( 0.162 -9.794 -7.271) 12.199 17.095 ( 0.162 -9.794 7.271) 12.199 17.461 ( -1.160 2.706 -2.804) 4.066 17.461 ( -1.160 2.706 2.804) 4.066 17.672 ( 0.805 5.505 -1.259) 5.705 17.672 ( 0.805 5.505 1.259) 5.705 17.897 ( -1.685 2.992 -2.136) 4.044 17.897 ( -1.685 2.992 2.136) 4.044 19.922 ( 11.693 -0.737 -0.841) 11.746 19.922 ( 11.693 -0.737 0.841) 11.746 21.920 ( -3.678 -0.664 -1.013) 3.873 21.920 ( -3.678 -0.664 1.013) 3.873 27.688 ( 0.531 -6.803 -2.862) 7.399 27.688 ( 0.531 -6.803 2.862) 7.399 27.882 ( -1.196 -5.096 -1.098) 5.348 27.882 ( -1.196 -5.096 1.098) 5.348 37.860 ( 4.063 9.076 -5.050) 11.152 37.860 ( 4.063 9.076 5.050) 11.152 38.396 ( 1.528 0.621 -4.352) 4.654 38.396 ( 1.528 0.621 4.352) 4.654 38.874 ( -0.875 -1.961 -13.739) 13.906 38.874 ( -0.875 -1.961 13.739) 13.906 40.889 ( -14.612 -4.413 -4.425) 15.892 40.889 ( -14.612 -4.413 4.425) 15.892 ======================= Grid point 355 (108/120) ======================= q-point: ( 0.22 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -2.226 9.024 -14.751) 17.435 2.222 ( -2.226 9.024 14.751) 17.435 2.683 ( 2.001 1.332 -10.775) 11.040 2.683 ( 2.001 1.332 10.775) 11.040 3.148 ( -4.040 0.808 -6.132) 7.388 3.148 ( -4.040 0.808 6.132) 7.388 3.588 ( -3.269 5.519 -5.479) 8.436 3.588 ( -3.269 5.519 5.479) 8.436 4.262 ( 6.466 8.950 -14.412) 18.156 4.262 ( 6.466 8.950 14.412) 18.156 4.478 ( 0.512 0.726 -6.239) 6.302 4.478 ( 0.512 0.726 6.239) 6.302 5.085 ( 10.676 15.270 -2.150) 18.756 5.085 ( 10.676 15.270 2.150) 18.756 6.107 ( 7.199 -7.387 -5.299) 11.596 6.107 ( 7.199 -7.387 5.299) 11.596 6.592 ( 8.790 3.170 -4.364) 10.313 6.592 ( 8.790 3.170 4.364) 10.313 6.821 ( 0.796 2.935 -10.504) 10.935 6.821 ( 0.796 2.935 10.504) 10.935 7.086 ( -1.645 -4.857 -10.157) 11.378 7.086 ( -1.645 -4.857 10.157) 11.378 7.708 ( 7.623 3.397 -6.728) 10.720 7.708 ( 7.623 3.397 6.728) 10.720 8.051 ( 0.525 34.785 -5.649) 35.244 8.051 ( 0.525 34.785 5.649) 35.244 8.607 ( 0.168 17.984 -5.162) 18.711 8.607 ( 0.168 17.984 5.162) 18.711 8.904 ( -6.434 -3.333 -3.693) 8.133 8.904 ( -6.434 -3.333 3.693) 8.133 9.522 ( -6.106 -0.512 -7.685) 9.828 9.522 ( -6.106 -0.512 7.685) 9.828 10.165 ( -4.224 3.650 -6.676) 8.702 10.165 ( -4.224 3.650 6.676) 8.702 10.608 ( -6.883 -3.053 -4.098) 8.573 10.608 ( -6.883 -3.053 4.098) 8.573 17.101 ( 0.515 -7.389 -5.593) 9.281 17.101 ( 0.515 -7.389 5.593) 9.281 17.428 ( -2.151 1.701 -1.914) 3.344 17.428 ( -2.151 1.701 1.914) 3.344 17.696 ( 1.560 5.296 -1.881) 5.832 17.696 ( 1.560 5.296 1.881) 5.832 17.861 ( -1.834 2.920 -3.212) 4.712 17.861 ( -1.834 2.920 3.212) 4.712 20.228 ( 18.592 -1.948 -2.475) 18.857 20.228 ( 18.592 -1.948 2.475) 18.857 21.811 ( -7.576 -0.833 -1.249) 7.723 21.811 ( -7.576 -0.833 1.249) 7.723 27.702 ( 0.950 -6.651 -2.536) 7.181 27.702 ( 0.950 -6.651 2.536) 7.181 27.851 ( -1.823 -5.092 -0.803) 5.468 27.851 ( -1.823 -5.092 0.803) 5.468 37.971 ( 6.974 10.513 -4.867) 13.522 37.971 ( 6.974 10.513 4.867) 13.522 38.441 ( 3.031 1.470 -3.491) 4.851 38.441 ( 3.031 1.470 3.491) 4.851 38.858 ( -0.350 -2.948 -10.363) 10.780 38.858 ( -0.350 -2.948 10.363) 10.780 40.501 ( -23.830 -2.199 -0.983) 23.951 40.501 ( -23.830 -2.199 0.983) 23.951 ======================= Grid point 357 (109/120) ======================= q-point: ( 0.33 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 2.465 6.927 -10.067) 12.466 2.221 ( 2.465 6.927 10.067) 12.466 2.674 ( -3.471 -1.712 -8.820) 9.632 2.674 ( -3.471 -1.712 8.820) 9.632 3.100 ( -0.349 6.638 -5.014) 8.326 3.100 ( -0.349 6.638 5.014) 8.326 3.489 ( -6.130 4.433 -6.407) 9.913 3.489 ( -6.130 4.433 6.407) 9.913 4.385 ( 5.518 6.133 -11.871) 14.456 4.385 ( 5.518 6.133 11.871) 14.456 4.505 ( 1.905 4.122 -3.035) 5.462 4.505 ( 1.905 4.122 3.035) 5.462 5.286 ( 9.050 15.928 -2.316) 18.465 5.286 ( 9.050 15.928 2.316) 18.465 6.213 ( 3.388 -6.470 -5.363) 9.061 6.213 ( 3.388 -6.470 5.363) 9.061 6.710 ( 2.421 -0.721 -4.433) 5.102 6.710 ( 2.421 -0.721 4.433) 5.102 6.862 ( 2.356 0.509 -7.371) 7.755 6.862 ( 2.356 0.509 7.371) 7.755 7.167 ( 10.817 -1.149 -11.169) 15.591 7.167 ( 10.817 -1.149 11.169) 15.591 7.818 ( 3.141 11.298 -4.485) 12.555 7.818 ( 3.141 11.298 4.485) 12.555 8.069 ( 1.534 26.789 -3.637) 27.078 8.069 ( 1.534 26.789 3.637) 27.078 8.512 ( -10.395 5.171 -8.359) 14.306 8.512 ( -10.395 5.171 8.359) 14.306 8.864 ( 3.028 8.933 -3.863) 10.192 8.864 ( 3.028 8.933 3.863) 10.192 9.389 ( -7.130 0.023 -6.483) 9.636 9.389 ( -7.130 0.023 6.483) 9.636 10.097 ( -2.455 3.008 -4.795) 6.170 10.097 ( -2.455 3.008 4.795) 6.170 10.462 ( -7.503 -2.070 -2.993) 8.339 10.462 ( -7.503 -2.070 2.993) 8.339 17.115 ( 0.875 -4.568 -3.456) 5.794 17.115 ( 0.875 -4.568 3.456) 5.794 17.382 ( -2.323 0.298 -1.260) 2.659 17.382 ( -2.323 0.298 1.260) 2.659 17.731 ( 1.892 4.661 -2.807) 5.761 17.731 ( 1.892 4.661 2.807) 5.761 17.828 ( -1.496 3.039 -3.837) 5.118 17.828 ( -1.496 3.039 3.837) 5.118 20.617 ( 20.503 -2.532 -3.325) 20.924 20.617 ( 20.503 -2.532 3.325) 20.924 21.622 ( -11.709 -1.202 -1.720) 11.895 21.622 ( -11.709 -1.202 1.720) 11.895 27.724 ( 1.224 -6.380 -2.073) 6.819 27.724 ( 1.224 -6.380 2.073) 6.819 27.814 ( -1.859 -5.271 -0.767) 5.642 27.814 ( -1.859 -5.271 0.767) 5.642 38.112 ( 6.732 11.265 -4.008) 13.722 38.112 ( 6.732 11.265 4.008) 13.722 38.506 ( 2.950 5.688 -0.469) 6.425 38.506 ( 2.950 5.688 0.469) 6.425 38.891 ( 4.924 -5.792 -3.502) 8.370 38.891 ( 4.924 -5.792 3.502) 8.370 40.001 ( -26.218 -1.235 -3.102) 26.429 40.001 ( -26.218 -1.235 3.102) 26.429 ======================= Grid point 359 (110/120) ======================= q-point: ( 0.44 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 5.096 4.720 -4.327) 8.183 2.307 ( 5.096 4.720 4.327) 8.183 2.562 ( -6.128 0.345 -4.354) 7.525 2.562 ( -6.128 0.345 4.354) 7.525 3.126 ( 1.905 6.733 -3.296) 7.735 3.126 ( 1.905 6.733 3.296) 7.735 3.382 ( -3.792 3.315 -3.906) 6.374 3.382 ( -3.792 3.315 3.906) 6.374 4.458 ( 1.796 7.587 -4.870) 9.192 4.458 ( 1.796 7.587 4.870) 9.192 4.540 ( 1.244 3.422 -1.390) 3.898 4.540 ( 1.244 3.422 1.390) 3.898 5.414 ( 3.539 16.899 -1.118) 17.302 5.414 ( 3.539 16.899 1.118) 17.302 6.247 ( 0.589 -5.899 -2.378) 6.388 6.247 ( 0.589 -5.899 2.378) 6.388 6.725 ( -0.012 -2.901 -1.678) 3.351 6.725 ( -0.012 -2.901 1.678) 3.351 6.892 ( 0.795 -1.645 -2.622) 3.196 6.892 ( 0.795 -1.645 2.622) 3.196 7.425 ( 11.519 6.142 -7.561) 15.086 7.425 ( 11.519 6.142 7.561) 15.086 7.819 ( -2.605 10.797 -5.772) 12.517 7.819 ( -2.605 10.797 5.772) 12.517 8.125 ( 4.676 17.711 -8.638) 20.253 8.125 ( 4.676 17.711 8.638) 20.253 8.280 ( -11.029 8.690 -8.689) 16.512 8.280 ( -11.029 8.690 8.689) 16.512 8.956 ( 4.342 10.523 -4.163) 12.121 8.956 ( 4.342 10.523 4.163) 12.121 9.263 ( -4.726 -0.205 -4.212) 6.334 9.263 ( -4.726 -0.205 4.212) 6.334 10.072 ( -0.282 2.077 -1.886) 2.819 10.072 ( -0.282 2.077 1.886) 2.819 10.343 ( -3.766 -0.902 -1.318) 4.091 10.343 ( -3.766 -0.902 1.318) 4.091 17.131 ( 0.545 -2.434 -1.180) 2.759 17.131 ( 0.545 -2.434 1.180) 2.759 17.346 ( -1.108 -1.020 -0.480) 1.580 17.346 ( -1.108 -1.020 0.480) 1.580 17.767 ( 1.731 3.563 -3.484) 5.275 17.767 ( 1.731 3.563 3.484) 5.275 17.800 ( -1.465 3.776 -3.852) 5.589 17.800 ( -1.465 3.776 3.852) 5.589 21.009 ( 19.020 -2.318 -3.146) 19.417 21.009 ( 19.020 -2.318 3.146) 19.417 21.353 ( -15.727 -1.782 -2.436) 16.014 21.353 ( -15.727 -1.782 2.436) 16.014 27.750 ( 1.409 -5.977 -1.555) 6.334 27.750 ( 1.409 -5.977 1.555) 6.334 27.780 ( -1.629 -5.658 -1.085) 5.986 27.780 ( -1.629 -5.658 1.085) 5.986 38.209 ( 2.713 9.818 -1.734) 10.332 38.209 ( 2.713 9.818 1.734) 10.332 38.538 ( 0.506 10.488 -1.496) 10.606 38.538 ( 0.506 10.488 1.496) 10.606 39.084 ( 14.095 -6.647 -3.154) 15.900 39.084 ( 14.095 -6.647 3.154) 15.900 39.517 ( -21.705 -2.140 -4.314) 22.233 39.517 ( -21.705 -2.140 4.314) 22.233 ======================= Grid point 369 (111/120) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 0.000 7.422 -2.059) 7.703 2.507 ( 0.000 7.422 2.059) 7.703 2.754 ( 0.000 8.151 -4.716) 9.417 2.754 ( 0.000 8.151 4.716) 9.417 3.140 ( 0.000 -6.869 -7.420) 10.111 3.140 ( 0.000 -6.869 7.420) 10.111 3.602 ( 0.000 0.132 -1.273) 1.280 3.602 ( 0.000 0.132 1.273) 1.280 4.059 ( 0.000 -9.213 -8.517) 12.546 4.059 ( 0.000 -9.213 8.517) 12.546 4.676 ( 0.000 11.747 -5.385) 12.922 4.676 ( 0.000 11.747 5.385) 12.922 5.183 ( 0.000 17.401 -0.582) 17.411 5.183 ( 0.000 17.401 0.582) 17.411 5.734 ( 0.000 -9.192 -0.361) 9.199 5.734 ( 0.000 -9.192 0.361) 9.199 6.524 ( 0.000 8.600 -9.064) 12.495 6.524 ( 0.000 8.600 9.064) 12.495 6.884 ( 0.000 1.894 -6.844) 7.101 6.884 ( 0.000 1.894 6.844) 7.101 7.034 ( 0.000 -14.872 -1.911) 14.994 7.034 ( 0.000 -14.872 1.911) 14.994 7.473 ( 0.000 3.422 -2.290) 4.118 7.473 ( 0.000 3.422 2.290) 4.118 8.641 ( 0.000 17.650 -3.644) 18.022 8.641 ( 0.000 17.650 3.644) 18.022 8.878 ( 0.000 7.203 -7.149) 10.148 8.878 ( 0.000 7.203 7.149) 10.148 8.976 ( 0.000 1.824 -6.098) 6.365 8.976 ( 0.000 1.824 6.098) 6.365 9.648 ( 0.000 0.640 -5.198) 5.237 9.648 ( 0.000 0.640 5.198) 5.237 10.409 ( 0.000 7.328 -5.757) 9.319 10.409 ( 0.000 7.328 5.757) 9.319 10.697 ( 0.000 -2.109 -2.772) 3.483 10.697 ( 0.000 -2.109 2.772) 3.483 16.904 ( 0.000 -7.125 -4.918) 8.657 16.904 ( 0.000 -7.125 4.918) 8.657 17.493 ( 0.000 -0.751 -1.939) 2.080 17.493 ( 0.000 -0.751 1.939) 2.080 17.695 ( 0.000 0.398 -1.715) 1.761 17.695 ( 0.000 0.398 1.715) 1.761 18.056 ( 0.000 7.204 -0.953) 7.267 18.056 ( 0.000 7.204 0.953) 7.267 19.802 ( 0.000 -0.027 -0.130) 0.133 19.802 ( 0.000 -0.027 0.130) 0.133 21.946 ( 0.000 -0.406 -0.500) 0.644 21.946 ( 0.000 -0.406 0.500) 0.644 27.568 ( 0.000 -4.225 -1.699) 4.554 27.568 ( 0.000 -4.225 1.699) 4.554 27.808 ( 0.000 -3.236 -0.666) 3.304 27.808 ( 0.000 -3.236 0.666) 3.304 37.954 ( 0.000 4.637 -2.964) 5.504 37.954 ( 0.000 4.637 2.964) 5.504 38.415 ( 0.000 2.931 -6.133) 6.797 38.415 ( 0.000 2.931 6.133) 6.797 38.798 ( 0.000 -5.748 -13.385) 14.567 38.798 ( 0.000 -5.748 13.385) 14.567 40.977 ( 0.000 -1.090 -4.667) 4.793 40.977 ( 0.000 -1.090 4.667) 4.793 ======================= Grid point 371 (112/120) ======================= q-point: ( 0.11 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -3.051 8.922 -8.201) 12.496 2.479 ( -3.051 8.922 8.201) 12.496 2.714 ( -3.110 2.224 -4.095) 5.603 2.714 ( -3.110 2.224 4.095) 5.603 3.137 ( 0.067 -3.866 -6.433) 7.505 3.137 ( 0.067 -3.866 6.433) 7.505 3.670 ( 5.172 3.745 -5.127) 8.189 3.670 ( 5.172 3.745 5.127) 8.189 4.082 ( 2.202 -11.087 -9.912) 15.033 4.082 ( 2.202 -11.087 9.912) 15.033 4.665 ( -0.656 11.637 -4.640) 12.546 4.665 ( -0.656 11.637 4.640) 12.546 5.249 ( 6.540 17.441 -0.517) 18.634 5.249 ( 6.540 17.441 0.517) 18.634 5.798 ( 6.145 -9.347 -0.709) 11.208 5.798 ( 6.145 -9.347 0.709) 11.208 6.563 ( 3.753 7.115 -8.651) 11.813 6.563 ( 3.753 7.115 8.651) 11.813 6.873 ( -1.292 0.553 -6.029) 6.190 6.873 ( -1.292 0.553 6.029) 6.190 6.988 ( -3.037 -10.733 -3.543) 11.703 6.988 ( -3.037 -10.733 3.543) 11.703 7.561 ( 7.803 1.542 -3.899) 8.858 7.561 ( 7.803 1.542 3.899) 8.858 8.623 ( -2.005 16.054 -3.951) 16.654 8.623 ( -2.005 16.054 3.951) 16.654 8.866 ( -2.005 5.495 -6.732) 8.918 8.866 ( -2.005 5.495 6.732) 8.918 8.965 ( -0.305 4.782 -4.709) 6.718 8.965 ( -0.305 4.782 4.709) 6.718 9.616 ( -3.215 0.743 -4.755) 5.788 9.616 ( -3.215 0.743 4.755) 5.788 10.379 ( -2.901 7.718 -5.898) 10.138 10.379 ( -2.901 7.718 5.898) 10.138 10.661 ( -3.573 -2.029 -2.660) 4.895 10.661 ( -3.573 -2.029 2.660) 4.895 16.918 ( 1.397 -6.761 -4.667) 8.333 16.918 ( 1.397 -6.761 4.667) 8.333 17.470 ( -2.292 -1.286 -1.501) 3.027 17.470 ( -2.292 -1.286 1.501) 3.027 17.713 ( 1.704 0.949 -1.419) 2.412 17.713 ( 1.704 0.949 1.419) 2.412 18.036 ( -1.882 7.125 -0.583) 7.393 18.036 ( -1.882 7.125 0.583) 7.393 19.911 ( 10.797 -0.351 -0.361) 10.808 19.911 ( 10.797 -0.351 0.361) 10.808 21.909 ( -3.753 -0.429 -0.539) 3.815 21.909 ( -3.753 -0.429 0.539) 3.815 27.575 ( 0.617 -4.193 -1.636) 4.543 27.575 ( 0.617 -4.193 1.636) 4.543 27.796 ( -1.142 -3.207 -0.589) 3.455 27.796 ( -1.142 -3.207 0.589) 3.455 38.006 ( 5.212 5.110 -3.055) 7.912 38.006 ( 5.212 5.110 3.055) 7.912 38.427 ( 1.247 2.733 -5.921) 6.640 38.427 ( 1.247 2.733 5.921) 6.640 38.788 ( -1.043 -5.784 -12.793) 14.078 38.788 ( -1.043 -5.784 12.793) 14.078 40.847 ( -13.000 -0.508 -3.881) 13.577 40.847 ( -13.000 -0.508 3.881) 13.577 ======================= Grid point 373 (113/120) ======================= q-point: ( 0.22 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -4.253 8.329 -9.833) 13.570 2.398 ( -4.253 8.329 9.833) 13.570 2.666 ( -1.716 -2.779 -7.347) 8.040 2.666 ( -1.716 -2.779 7.347) 8.040 3.149 ( 1.062 -0.232 -4.071) 4.214 3.149 ( 1.062 -0.232 4.071) 4.214 3.705 ( -3.505 6.514 -6.589) 9.906 3.705 ( -3.505 6.514 6.589) 9.906 4.168 ( 7.494 -10.332 -8.661) 15.425 4.168 ( 7.494 -10.332 8.661) 15.425 4.670 ( 1.183 10.611 -3.281) 11.170 4.670 ( 1.183 10.611 3.281) 11.170 5.421 ( 10.254 17.105 -0.332) 19.946 5.421 ( 10.254 17.105 0.332) 19.946 5.945 ( 7.966 -8.984 -1.932) 12.162 5.945 ( 7.966 -8.984 1.932) 12.162 6.647 ( 3.603 1.793 -7.806) 8.782 6.647 ( 3.603 1.793 7.806) 8.782 6.844 ( -0.892 -1.915 -5.160) 5.575 6.844 ( -0.892 -1.915 5.160) 5.575 6.975 ( 3.004 -3.287 -4.530) 6.351 6.975 ( 3.004 -3.287 4.530) 6.351 7.739 ( 9.791 0.693 -4.756) 10.907 7.739 ( 9.791 0.693 4.756) 10.907 8.549 ( -5.991 10.004 -4.501) 12.499 8.549 ( -5.991 10.004 4.501) 12.499 8.783 ( -5.933 7.116 -5.842) 10.953 8.783 ( -5.933 7.116 5.842) 10.953 8.990 ( 2.655 7.641 -2.989) 8.624 8.990 ( 2.655 7.641 2.989) 8.624 9.529 ( -5.468 1.089 -3.800) 6.748 9.529 ( -5.468 1.089 3.800) 6.748 10.307 ( -4.115 8.481 -5.842) 11.090 10.307 ( -4.115 8.481 5.842) 11.090 10.565 ( -5.906 -1.494 -2.386) 6.543 10.565 ( -5.906 -1.494 2.386) 6.543 16.958 ( 2.618 -5.721 -3.971) 7.440 16.958 ( 2.618 -5.721 3.971) 7.440 17.410 ( -3.711 -2.373 -0.959) 4.508 17.410 ( -3.711 -2.373 0.959) 4.508 17.755 ( 2.497 2.017 -1.150) 3.410 17.755 ( 2.497 2.017 1.150) 3.410 17.992 ( -2.400 6.738 -0.338) 7.161 17.992 ( -2.400 6.738 0.338) 7.161 20.199 ( 17.795 -0.956 -1.067) 17.853 20.199 ( 17.795 -0.956 1.067) 17.853 21.797 ( -7.779 -0.519 -0.653) 7.824 21.797 ( -7.779 -0.519 0.653) 7.824 27.592 ( 1.131 -4.093 -1.463) 4.492 27.592 ( 1.131 -4.093 1.463) 4.492 27.766 ( -1.858 -3.180 -0.454) 3.711 27.766 ( -1.858 -3.180 0.454) 3.711 38.149 ( 8.871 6.681 -3.363) 11.604 38.149 ( 8.871 6.681 3.363) 11.604 38.471 ( 3.566 2.177 -4.789) 6.355 38.471 ( 3.566 2.177 4.789) 6.355 38.762 ( -1.384 -6.084 -10.825) 12.494 38.762 ( -1.384 -6.084 10.825) 12.494 40.493 ( -22.324 0.641 -2.049) 22.427 40.493 ( -22.324 0.641 2.049) 22.427 ======================= Grid point 375 (114/120) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 0.067 5.681 -5.962) 8.236 2.351 ( 0.067 5.681 5.962) 8.236 2.629 ( -2.617 -2.580 -5.888) 6.941 2.629 ( -2.617 -2.580 5.888) 6.941 3.177 ( 1.849 1.754 -2.632) 3.664 3.177 ( 1.849 1.754 2.632) 3.664 3.559 ( -9.535 2.773 -5.167) 11.194 3.559 ( -9.535 2.773 5.167) 11.194 4.354 ( 10.227 -3.730 -4.898) 11.937 4.354 ( 10.227 -3.730 4.898) 11.937 4.689 ( 0.019 8.552 -2.555) 8.926 4.689 ( 0.019 8.552 2.555) 8.926 5.616 ( 8.897 16.224 -0.598) 18.513 5.616 ( 8.897 16.224 0.598) 18.513 6.076 ( 4.866 -7.391 -2.572) 9.215 6.076 ( 4.866 -7.391 2.572) 9.215 6.677 ( 0.152 -2.785 -6.335) 6.921 6.677 ( 0.152 -2.785 6.335) 6.921 6.830 ( -0.942 -2.665 -3.160) 4.239 6.830 ( -0.942 -2.665 3.160) 4.239 7.154 ( 14.866 0.383 -6.570) 16.257 7.154 ( 14.866 0.383 6.570) 16.257 7.920 ( 7.295 1.998 -4.394) 8.747 7.920 ( 7.295 1.998 4.394) 8.747 8.387 ( -9.323 2.461 -4.420) 10.607 8.387 ( -9.323 2.461 4.420) 10.607 8.653 ( -7.211 11.070 -5.025) 14.135 8.653 ( -7.211 11.070 5.025) 14.135 9.059 ( 4.241 7.590 -0.964) 8.748 9.059 ( 4.241 7.590 0.964) 8.748 9.411 ( -6.336 1.723 -3.077) 7.252 9.411 ( -6.336 1.723 3.077) 7.252 10.234 ( -3.007 8.893 -4.673) 10.486 10.234 ( -3.007 8.893 4.673) 10.486 10.445 ( -5.857 -0.139 -1.910) 6.162 10.445 ( -5.857 -0.139 1.910) 6.162 17.018 ( 3.392 -4.063 -2.950) 6.059 17.018 ( 3.392 -4.063 2.950) 6.059 17.330 ( -4.228 -3.800 -0.827) 5.744 17.330 ( -4.228 -3.800 0.827) 5.744 17.806 ( 2.581 3.147 -1.138) 4.227 17.806 ( 2.581 3.147 1.138) 4.227 17.947 ( -2.186 5.942 -0.890) 6.394 17.947 ( -2.186 5.942 0.890) 6.394 20.579 ( 20.342 -1.304 -1.481) 20.437 20.579 ( 20.342 -1.304 1.481) 20.437 21.603 ( -12.086 -0.712 -0.864) 12.138 21.603 ( -12.086 -0.712 0.864) 12.138 27.618 ( 1.504 -3.921 -1.218) 4.372 27.618 ( 1.504 -3.921 1.218) 4.372 27.727 ( -2.070 -3.250 -0.475) 3.882 27.727 ( -2.070 -3.250 0.475) 3.882 38.310 ( 6.205 8.191 -3.768) 10.945 38.310 ( 6.205 8.191 3.768) 10.945 38.583 ( 6.900 2.589 -0.650) 7.399 38.583 ( 6.900 2.589 0.650) 7.399 38.761 ( 3.626 -6.795 -5.253) 9.323 38.761 ( 3.626 -6.795 5.253) 9.323 40.008 ( -26.318 1.211 -0.199) 26.347 40.008 ( -26.318 1.211 0.199) 26.347 ======================= Grid point 377 (115/120) ======================= q-point: ( 0.44 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 3.753 4.072 -2.041) 5.902 2.398 ( 3.753 4.072 2.041) 5.902 2.556 ( -4.246 -1.006 -2.745) 5.155 2.556 ( -4.246 -1.006 2.745) 5.155 3.222 ( 2.452 3.164 -2.148) 4.543 3.222 ( 2.452 3.164 2.148) 4.543 3.393 ( -5.996 -0.905 -3.447) 6.975 3.393 ( -5.996 -0.905 3.447) 6.975 4.536 ( 7.921 1.601 -3.214) 8.697 4.536 ( 7.921 1.601 3.214) 8.697 4.653 ( -3.858 5.551 -2.557) 7.227 4.653 ( -3.858 5.551 2.557) 7.227 5.743 ( 3.515 15.280 -0.508) 15.688 5.743 ( 3.515 15.280 0.508) 15.688 6.134 ( 1.278 -5.774 -1.347) 6.066 6.134 ( 1.278 -5.774 1.347) 6.066 6.674 ( -0.223 -1.625 -2.366) 2.879 6.674 ( -0.223 -1.625 2.366) 2.879 6.815 ( -0.402 -5.373 -0.922) 5.466 6.815 ( -0.402 -5.373 0.922) 5.466 7.493 ( 17.466 2.167 -5.259) 18.369 7.493 ( 17.466 2.167 5.259) 18.369 7.891 ( -11.234 -0.232 -3.405) 11.741 7.891 ( -11.234 -0.232 3.405) 11.741 8.329 ( 5.278 4.142 -5.340) 8.575 8.329 ( 5.278 4.142 5.340) 8.575 8.498 ( -8.415 8.881 -5.699) 13.497 8.498 ( -8.415 8.881 5.699) 13.497 9.148 ( 4.293 7.185 -0.853) 8.413 9.148 ( 4.293 7.185 0.853) 8.413 9.293 ( -5.111 2.189 -2.186) 5.974 9.293 ( -5.111 2.189 2.186) 5.974 10.196 ( -0.865 8.799 -1.916) 9.046 10.196 ( -0.865 8.799 1.916) 9.046 10.356 ( -2.641 1.383 -0.866) 3.104 10.356 ( -2.641 1.383 0.866) 3.104 17.081 ( 2.462 -1.632 -1.405) 3.271 17.081 ( 2.462 -1.632 1.405) 3.271 17.256 ( -2.773 -6.008 -0.646) 6.649 17.256 ( -2.773 -6.008 0.646) 6.649 17.853 ( 1.996 4.400 -1.027) 4.940 17.853 ( 1.996 4.400 1.027) 4.940 17.907 ( -1.777 4.775 -0.996) 5.191 17.907 ( -1.777 4.775 0.996) 5.191 20.973 ( 19.387 -1.253 -1.456) 19.482 20.973 ( 19.387 -1.253 1.456) 19.482 21.324 ( -16.238 -1.008 -1.173) 16.311 21.324 ( -16.238 -1.008 1.173) 16.311 27.650 ( 1.766 -3.689 -0.943) 4.197 27.650 ( 1.766 -3.689 0.943) 4.197 27.687 ( -1.971 -3.438 -0.678) 4.021 27.687 ( -1.971 -3.438 0.678) 4.021 38.383 ( 1.638 7.729 -1.991) 8.148 38.383 ( 1.638 7.729 1.991) 8.148 38.637 ( 0.072 -1.270 -3.045) 3.300 38.637 ( 0.072 -1.270 3.045) 3.300 39.008 ( 18.801 -0.275 -1.718) 18.882 39.008 ( 18.801 -0.275 1.718) 18.882 39.499 ( -24.219 0.004 -1.061) 24.243 39.499 ( -24.219 0.004 1.061) 24.243 ======================= Grid point 387 (116/120) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 0.000 0.000 -0.000) 0.000 2.594 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 3.063 ( 0.000 0.000 -0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 -0.000 0.000) 0.000 5.473 ( 0.000 -0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 -0.000 -0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.774 ( 0.000 0.000 -0.000) 0.000 6.774 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 -0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 8.747 ( 0.000 0.000 0.000) 0.000 8.747 ( 0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 -0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 -0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.661 ( 0.000 0.000 0.000) 0.000 9.661 ( 0.000 0.000 0.000) 0.000 10.494 ( 0.000 0.000 0.000) 0.000 10.494 ( 0.000 0.000 -0.000) 0.000 10.674 ( 0.000 0.000 0.000) 0.000 10.674 ( 0.000 0.000 0.000) 0.000 16.831 ( 0.000 0.000 -0.000) 0.000 16.831 ( 0.000 0.000 0.000) 0.000 17.478 ( 0.000 0.000 0.000) 0.000 17.478 ( 0.000 0.000 0.000) 0.000 17.702 ( 0.000 0.000 -0.000) 0.000 17.702 ( 0.000 0.000 0.000) 0.000 18.133 ( 0.000 0.000 0.000) 0.000 18.133 ( 0.000 0.000 0.000) 0.000 19.801 ( 0.000 0.000 0.000) 0.000 19.801 ( 0.000 0.000 0.000) 0.000 21.941 ( 0.000 0.000 0.000) 0.000 21.941 ( 0.000 0.000 0.000) 0.000 27.525 ( 0.000 0.000 0.000) 0.000 27.525 ( 0.000 0.000 0.000) 0.000 27.774 ( 0.000 0.000 0.000) 0.000 27.774 ( 0.000 0.000 0.000) 0.000 37.999 ( 0.000 0.000 0.000) 0.000 37.999 ( 0.000 0.000 0.000) 0.000 38.463 ( 0.000 0.000 0.000) 0.000 38.463 ( 0.000 0.000 0.000) 0.000 38.720 ( 0.000 0.000 -0.000) 0.000 38.720 ( 0.000 0.000 0.000) 0.000 40.970 ( 0.000 0.000 0.000) 0.000 40.970 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 391 (117/120) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 0.337 0.000 -0.000) 0.337 2.598 ( 0.337 0.000 0.000) 0.337 2.709 ( -10.452 0.000 -0.000) 10.452 2.709 ( -10.452 0.000 0.000) 10.452 3.102 ( 2.436 0.000 -0.000) 2.436 3.102 ( 2.436 0.000 0.000) 2.436 3.739 ( 12.232 -0.000 -0.000) 12.232 3.739 ( 12.232 -0.000 0.000) 12.232 3.926 ( -2.795 0.000 -0.000) 2.795 3.926 ( -2.795 0.000 0.000) 2.795 4.787 ( -0.901 0.000 -0.000) 0.901 4.787 ( -0.901 0.000 0.000) 0.901 5.545 ( 6.965 -0.000 0.000) 6.965 5.545 ( 6.965 -0.000 0.000) 6.965 5.591 ( 5.704 0.000 0.000) 5.704 5.591 ( 5.704 0.000 0.000) 5.704 6.730 ( -3.800 -0.002 -0.002) 3.800 6.730 ( -3.800 -0.001 0.001) 3.800 6.730 ( 3.019 0.000 -0.001) 3.019 6.730 ( 3.019 0.002 0.002) 3.019 6.923 ( 0.561 0.000 0.000) 0.561 6.923 ( 0.561 0.000 0.000) 0.561 7.577 ( 6.776 0.000 -0.000) 6.776 7.577 ( 6.776 0.000 0.000) 6.776 8.712 ( -3.758 0.000 -0.000) 3.758 8.712 ( -3.758 0.000 0.000) 3.758 8.965 ( -2.017 -0.000 -0.000) 2.017 8.965 ( -2.017 -0.000 0.000) 2.017 9.032 ( 0.951 0.000 -0.000) 0.951 9.032 ( 0.951 0.000 0.000) 0.951 9.630 ( -3.107 0.000 0.000) 3.107 9.630 ( -3.107 0.000 0.000) 3.107 10.471 ( -2.293 -0.000 -0.000) 2.293 10.471 ( -2.293 0.000 0.000) 2.293 10.638 ( -3.579 0.000 0.000) 3.579 10.638 ( -3.579 0.000 0.000) 3.579 16.849 ( 1.750 -0.000 -0.000) 1.750 16.849 ( 1.750 -0.000 0.000) 1.750 17.450 ( -2.725 0.000 -0.000) 2.725 17.450 ( -2.725 0.000 0.000) 2.725 17.725 ( 2.162 0.000 -0.000) 2.162 17.725 ( 2.162 0.000 0.000) 2.162 18.112 ( -1.982 -0.000 -0.000) 1.982 18.112 ( -1.982 -0.000 0.000) 1.982 19.908 ( 10.509 0.000 -0.000) 10.509 19.908 ( 10.509 0.000 0.000) 10.509 21.905 ( -3.778 0.000 -0.000) 3.778 21.905 ( -3.778 0.000 0.000) 3.778 27.531 ( 0.652 0.000 0.000) 0.652 27.531 ( 0.652 0.000 0.000) 0.652 27.763 ( -1.117 0.000 0.000) 1.117 27.763 ( -1.117 0.000 0.000) 1.117 38.056 ( 5.725 0.000 0.000) 5.725 38.056 ( 5.725 0.000 0.000) 5.725 38.474 ( 1.149 0.000 0.000) 1.149 38.474 ( 1.149 0.000 0.000) 1.149 38.708 ( -1.212 0.000 0.000) 1.212 38.708 ( -1.212 0.000 0.000) 1.212 40.845 ( -12.470 0.000 0.000) 12.470 40.845 ( -12.470 0.000 0.000) 12.470 ======================= Grid point 395 (118/120) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -8.106 -0.000 -0.000) 8.106 2.516 ( -8.106 0.000 0.000) 8.106 2.604 ( 0.119 0.000 -0.000) 0.119 2.604 ( 0.119 0.000 0.000) 0.119 3.146 ( 2.189 0.000 -0.000) 2.189 3.146 ( 2.189 0.000 0.000) 2.189 3.809 ( -9.241 -0.000 -0.000) 9.241 3.809 ( -9.241 -0.000 0.000) 9.241 4.019 ( 15.309 0.000 -0.000) 15.309 4.019 ( 15.309 0.000 0.000) 15.309 4.782 ( 0.273 0.000 -0.000) 0.273 4.782 ( 0.273 0.000 0.000) 0.273 5.716 ( 9.595 -0.000 -0.000) 9.595 5.716 ( 9.595 -0.000 0.000) 9.595 5.742 ( 8.931 0.000 -0.000) 8.931 5.742 ( 8.931 0.000 0.000) 8.931 6.658 ( -2.866 0.000 -0.000) 2.866 6.658 ( -2.866 0.000 0.000) 2.866 6.802 ( 2.931 0.000 -0.000) 2.931 6.802 ( 2.931 0.000 0.000) 2.931 6.960 ( 4.799 0.000 0.000) 4.799 6.960 ( 4.799 0.000 0.000) 4.799 7.745 ( 9.877 0.000 -0.000) 9.877 7.745 ( 9.877 0.000 0.000) 9.877 8.591 ( -8.720 0.000 -0.000) 8.720 8.591 ( -8.720 0.000 0.000) 8.720 8.901 ( -4.661 -0.000 -0.000) 4.661 8.901 ( -4.661 -0.000 0.000) 4.661 9.067 ( 2.653 0.000 -0.000) 2.653 9.067 ( 2.653 0.000 0.000) 2.653 9.546 ( -5.252 0.000 -0.000) 5.252 9.546 ( -5.252 0.000 0.000) 5.252 10.413 ( -3.379 0.000 -0.000) 3.379 10.413 ( -3.379 0.000 0.000) 3.379 10.545 ( -5.549 0.000 0.000) 5.549 10.545 ( -5.549 0.000 0.000) 5.549 16.899 ( 3.303 -0.000 -0.000) 3.303 16.899 ( 3.303 -0.000 0.000) 3.303 17.379 ( -4.325 0.000 -0.000) 4.325 17.379 ( -4.325 0.000 0.000) 4.325 17.778 ( 3.074 0.000 -0.000) 3.074 17.778 ( 3.074 0.000 0.000) 3.074 18.064 ( -2.711 -0.000 -0.000) 2.711 18.064 ( -2.711 -0.000 0.000) 2.711 20.189 ( 17.520 0.000 -0.000) 17.520 20.189 ( 17.520 -0.000 0.000) 17.520 21.791 ( -7.849 0.000 -0.000) 7.849 21.791 ( -7.849 0.000 0.000) 7.849 27.550 ( 1.204 0.000 0.000) 1.204 27.550 ( 1.204 0.000 0.000) 1.204 27.733 ( -1.860 0.000 0.000) 1.860 27.733 ( -1.860 0.000 0.000) 1.860 38.216 ( 10.204 0.000 -0.000) 10.204 38.216 ( 10.204 0.000 0.000) 10.204 38.515 ( 3.533 0.000 0.000) 3.533 38.515 ( 3.533 0.000 0.000) 3.533 38.674 ( -2.198 0.000 -0.000) 2.198 38.674 ( -2.198 0.000 0.000) 2.198 40.503 ( -21.785 0.000 0.000) 21.785 40.503 ( -21.785 0.000 0.000) 21.785 ======================= Grid point 399 (119/120) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -1.555 -0.000 -0.000) 1.555 2.419 ( -1.555 0.000 0.000) 1.555 2.593 ( -1.484 0.000 -0.000) 1.484 2.593 ( -1.484 0.000 0.000) 1.484 3.191 ( 2.527 0.000 -0.000) 2.527 3.191 ( 2.527 0.000 0.000) 2.527 3.590 ( -12.038 -0.000 -0.000) 12.038 3.590 ( -12.038 -0.000 0.000) 12.038 4.310 ( 13.958 0.000 -0.000) 13.958 4.310 ( 13.958 0.000 0.000) 13.958 4.778 ( -1.338 0.000 -0.000) 1.338 4.778 ( -1.338 0.000 0.000) 1.338 5.888 ( 7.312 -0.000 -0.000) 7.312 5.888 ( 7.312 -0.000 0.000) 7.312 5.905 ( 6.927 0.000 -0.000) 6.927 5.905 ( 6.927 0.000 0.000) 6.927 6.633 ( 0.380 0.000 -0.000) 0.380 6.633 ( 0.380 0.000 0.000) 0.380 6.802 ( -2.355 0.000 0.000) 2.355 6.802 ( -2.355 0.000 0.000) 2.355 7.163 ( 15.316 0.000 0.000) 15.316 7.163 ( 15.316 0.000 0.000) 15.316 7.937 ( 7.976 0.000 -0.000) 7.976 7.937 ( 7.976 0.000 0.000) 7.976 8.388 ( -10.331 0.000 0.000) 10.331 8.388 ( -10.331 0.000 0.000) 10.331 8.777 ( -8.159 -0.000 -0.000) 8.159 8.777 ( -8.159 -0.000 0.000) 8.159 9.132 ( 3.932 0.000 0.000) 3.932 9.132 ( 3.932 0.000 0.000) 3.932 9.433 ( -6.018 0.000 -0.000) 6.018 9.433 ( -6.018 0.000 0.000) 6.018 10.352 ( -2.487 0.000 0.000) 2.487 10.352 ( -2.487 0.000 0.000) 2.487 10.436 ( -5.161 0.000 0.000) 5.161 10.436 ( -5.161 0.000 0.000) 5.161 16.976 ( 4.511 -0.000 -0.000) 4.511 16.976 ( 4.511 -0.000 0.000) 4.511 17.285 ( -5.211 0.000 -0.000) 5.211 17.285 ( -5.211 0.000 0.000) 5.211 17.841 ( 3.210 0.000 -0.000) 3.210 17.841 ( 3.210 0.000 0.000) 3.210 18.010 ( -2.713 -0.000 -0.000) 2.713 18.010 ( -2.713 -0.000 0.000) 2.713 20.566 ( 20.265 0.000 -0.000) 20.265 20.566 ( 20.265 0.000 0.000) 20.265 21.595 ( -12.214 0.000 -0.000) 12.214 21.595 ( -12.214 0.000 0.000) 12.214 27.578 ( 1.614 0.000 0.000) 1.614 27.578 ( 1.614 0.000 0.000) 1.614 27.693 ( -2.138 0.000 0.000) 2.138 27.693 ( -2.138 0.000 0.000) 2.138 38.405 ( 7.205 0.000 0.000) 7.205 38.405 ( 7.205 0.000 0.000) 7.205 38.624 ( -2.822 -0.000 -0.000) 2.822 38.624 ( -2.822 0.000 0.000) 2.822 38.661 ( 13.123 0.000 -0.000) 13.123 38.661 ( 13.123 0.000 0.000) 13.123 40.023 ( -26.336 0.000 0.000) 26.336 40.023 ( -26.336 0.000 0.000) 26.336 ======================= Grid point 403 (120/120) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 3.933 0.000 -0.000) 3.933 2.448 ( 3.933 0.000 0.000) 3.933 2.537 ( -4.233 0.000 -0.000) 4.233 2.537 ( -4.233 -0.000 0.000) 4.233 3.255 ( 4.329 0.000 -0.000) 4.329 3.255 ( 4.329 0.000 0.000) 4.329 3.379 ( -8.718 -0.000 -0.000) 8.718 3.379 ( -8.718 -0.000 0.000) 8.718 4.552 ( 10.431 0.000 0.000) 10.431 4.552 ( 10.431 0.000 0.000) 10.431 4.711 ( -5.737 -0.000 -0.000) 5.737 4.711 ( -5.737 0.000 0.000) 5.737 5.988 ( 2.790 -0.000 -0.000) 2.790 5.988 ( 2.790 0.000 0.000) 2.790 5.995 ( 2.127 -0.000 0.000) 2.127 5.995 ( 2.127 0.000 0.000) 2.127 6.668 ( 2.954 -0.000 -0.000) 2.954 6.668 ( 2.954 0.000 0.000) 2.954 6.737 ( -3.780 -0.000 0.000) 3.780 6.737 ( -3.780 0.000 0.000) 3.780 7.518 ( 19.771 -0.000 -0.000) 19.771 7.518 ( 19.771 0.000 0.000) 19.771 7.880 ( -14.804 0.000 -0.000) 14.804 7.880 ( -14.804 0.000 0.000) 14.804 8.364 ( 8.931 0.000 0.000) 8.931 8.364 ( 8.931 0.000 0.000) 8.931 8.583 ( -11.366 -0.000 -0.000) 11.366 8.583 ( -11.366 -0.000 0.000) 11.366 9.218 ( 4.737 0.000 -0.000) 4.737 9.218 ( 4.737 0.000 0.000) 4.737 9.318 ( -5.556 0.000 -0.000) 5.556 9.318 ( -5.556 0.000 0.000) 5.556 10.326 ( -0.000 -0.000 0.000) 0.000 10.326 ( -0.000 0.000 -0.000) 0.000 10.355 ( -2.932 0.000 0.000) 2.932 10.355 ( -2.932 0.000 0.000) 2.932 17.072 ( 5.274 0.000 -0.000) 5.274 17.072 ( 5.274 0.000 0.000) 5.274 17.179 ( -5.522 0.000 -0.000) 5.522 17.179 ( -5.522 0.000 0.000) 5.522 17.902 ( 2.977 0.000 -0.000) 2.977 17.902 ( 2.977 0.000 0.000) 2.977 17.957 ( -2.738 -0.000 -0.000) 2.738 17.957 ( -2.738 -0.000 0.000) 2.738 20.960 ( 19.495 0.000 0.000) 19.495 20.960 ( 19.495 0.000 0.000) 19.495 21.314 ( -16.406 0.000 -0.000) 16.406 21.314 ( -16.406 0.000 0.000) 16.406 27.612 ( 1.903 0.000 0.000) 1.903 27.612 ( 1.903 0.000 0.000) 1.903 27.652 ( -2.096 0.000 0.000) 2.096 27.652 ( -2.096 0.000 0.000) 2.096 38.501 ( 3.633 0.000 0.000) 3.633 38.501 ( 3.633 0.000 0.000) 3.633 38.566 ( -3.132 0.000 -0.000) 3.132 38.566 ( -3.132 0.000 0.000) 3.132 39.020 ( 22.305 0.000 -0.000) 22.305 39.020 ( 22.305 0.000 0.000) 22.305 39.502 ( -26.249 0.000 0.000) 26.249 39.502 ( -26.249 0.000 0.000) 26.249 =================== 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 3/32400 10.0 1243.904 1102.298 737.799 0.000 0.000 -0.000 3/32400 20.0 292.353 289.941 247.061 0.000 0.000 -0.000 3/32400 30.0 100.433 102.859 90.026 0.000 0.000 -0.000 3/32400 40.0 50.531 52.821 46.452 0.000 0.000 -0.000 3/32400 50.0 31.145 33.054 28.952 0.000 0.000 -0.000 3/32400 60.0 21.615 23.312 20.230 0.000 0.000 -0.000 3/32400 70.0 16.235 17.821 15.278 0.000 0.000 -0.000 3/32400 80.0 12.897 14.411 12.194 0.000 0.000 -0.000 3/32400 90.0 10.673 12.128 10.130 0.000 0.000 -0.000 3/32400 100.0 9.105 10.505 8.668 0.000 0.000 -0.000 3/32400 110.0 7.949 9.293 7.584 0.000 0.000 -0.000 3/32400 120.0 7.064 8.354 6.751 0.000 0.000 -0.000 3/32400 130.0 6.366 7.601 6.090 0.000 0.000 -0.000 3/32400 140.0 5.803 6.984 5.554 0.000 0.000 -0.000 3/32400 150.0 5.339 6.468 5.110 0.000 0.000 -0.000 3/32400 160.0 4.950 6.028 4.735 0.000 0.000 -0.000 3/32400 170.0 4.620 5.648 4.415 0.000 0.000 -0.000 3/32400 180.0 4.336 5.317 4.138 0.000 0.000 -0.000 3/32400 190.0 4.089 5.026 3.896 0.000 0.000 -0.000 3/32400 200.0 3.873 4.766 3.682 0.000 0.000 -0.000 3/32400 210.0 3.682 4.534 3.492 0.000 0.000 -0.000 3/32400 220.0 3.513 4.325 3.322 0.000 0.000 -0.000 3/32400 230.0 3.361 4.136 3.169 0.000 0.000 -0.000 3/32400 240.0 3.225 3.964 3.030 0.000 0.000 -0.000 3/32400 250.0 3.102 3.806 2.904 0.000 0.000 -0.000 3/32400 260.0 2.990 3.661 2.788 0.000 0.000 -0.000 3/32400 270.0 2.888 3.528 2.682 0.000 0.000 -0.000 3/32400 280.0 2.794 3.405 2.584 0.000 0.000 -0.000 3/32400 290.0 2.708 3.290 2.494 0.000 0.000 -0.000 3/32400 300.0 2.629 3.184 2.410 0.000 0.000 -0.000 3/32400 310.0 2.556 3.084 2.332 0.000 0.000 -0.000 3/32400 320.0 2.488 2.992 2.259 0.000 0.000 -0.000 3/32400 330.0 2.425 2.905 2.191 0.000 0.000 -0.000 3/32400 340.0 2.367 2.823 2.127 0.000 0.000 -0.000 3/32400 350.0 2.312 2.746 2.067 0.000 0.000 -0.000 3/32400 360.0 2.260 2.673 2.011 0.000 0.000 -0.000 3/32400 370.0 2.212 2.605 1.958 0.000 0.000 -0.000 3/32400 380.0 2.166 2.540 1.908 0.000 0.000 -0.000 3/32400 390.0 2.123 2.478 1.860 0.000 0.000 -0.000 3/32400 400.0 2.082 2.420 1.815 0.000 0.000 -0.000 3/32400 410.0 2.044 2.364 1.773 0.000 0.000 -0.000 3/32400 420.0 2.008 2.311 1.732 0.000 0.000 -0.000 3/32400 430.0 1.973 2.261 1.694 0.000 0.000 -0.000 3/32400 440.0 1.940 2.213 1.657 0.000 0.000 -0.000 3/32400 450.0 1.908 2.167 1.622 0.000 0.000 -0.000 3/32400 460.0 1.878 2.123 1.588 0.000 0.000 -0.000 3/32400 470.0 1.850 2.081 1.556 0.000 0.000 -0.000 3/32400 480.0 1.822 2.040 1.526 0.000 0.000 -0.000 3/32400 490.0 1.796 2.002 1.496 0.000 0.000 -0.000 3/32400 500.0 1.770 1.964 1.468 0.000 0.000 -0.000 3/32400 510.0 1.746 1.929 1.441 0.000 0.000 -0.000 3/32400 520.0 1.723 1.894 1.415 0.000 0.000 -0.000 3/32400 530.0 1.700 1.861 1.390 0.000 0.000 -0.000 3/32400 540.0 1.678 1.829 1.366 0.000 0.000 -0.000 3/32400 550.0 1.657 1.798 1.343 0.000 0.000 -0.000 3/32400 560.0 1.637 1.769 1.321 0.000 0.000 -0.000 3/32400 570.0 1.617 1.740 1.299 0.000 0.000 -0.000 3/32400 580.0 1.598 1.712 1.278 0.000 0.000 -0.000 3/32400 590.0 1.580 1.686 1.258 0.000 0.000 -0.000 3/32400 600.0 1.562 1.660 1.239 0.000 0.000 -0.000 3/32400 610.0 1.545 1.635 1.220 0.000 0.000 -0.000 3/32400 620.0 1.528 1.610 1.202 0.000 0.000 -0.000 3/32400 630.0 1.511 1.587 1.184 0.000 0.000 -0.000 3/32400 640.0 1.496 1.564 1.167 0.000 0.000 -0.000 3/32400 650.0 1.480 1.542 1.151 0.000 0.000 -0.000 3/32400 660.0 1.465 1.520 1.135 0.000 0.000 -0.000 3/32400 670.0 1.450 1.499 1.119 0.000 0.000 -0.000 3/32400 680.0 1.436 1.479 1.104 0.000 0.000 -0.000 3/32400 690.0 1.422 1.459 1.089 0.000 0.000 -0.000 3/32400 700.0 1.408 1.440 1.075 0.000 0.000 -0.000 3/32400 710.0 1.395 1.421 1.061 0.000 0.000 -0.000 3/32400 720.0 1.382 1.403 1.047 0.000 0.000 -0.000 3/32400 730.0 1.369 1.386 1.034 0.000 0.000 -0.000 3/32400 740.0 1.357 1.368 1.022 0.000 0.000 -0.000 3/32400 750.0 1.345 1.352 1.009 0.000 0.000 -0.000 3/32400 760.0 1.333 1.335 0.997 0.000 0.000 -0.000 3/32400 770.0 1.321 1.319 0.985 0.000 0.000 -0.000 3/32400 780.0 1.310 1.304 0.974 0.000 0.000 -0.000 3/32400 790.0 1.299 1.288 0.962 0.000 0.000 -0.000 3/32400 800.0 1.288 1.274 0.951 0.000 0.000 -0.000 3/32400 810.0 1.277 1.259 0.941 0.000 0.000 -0.000 3/32400 820.0 1.267 1.245 0.930 0.000 0.000 -0.000 3/32400 830.0 1.256 1.231 0.920 0.000 0.000 -0.000 3/32400 840.0 1.246 1.218 0.910 0.000 0.000 -0.000 3/32400 850.0 1.236 1.205 0.900 0.000 0.000 -0.000 3/32400 860.0 1.227 1.192 0.891 0.000 0.000 -0.000 3/32400 870.0 1.217 1.179 0.881 0.000 0.000 -0.000 3/32400 880.0 1.208 1.167 0.872 0.000 0.000 -0.000 3/32400 890.0 1.199 1.155 0.863 0.000 0.000 -0.000 3/32400 900.0 1.190 1.143 0.854 0.000 0.000 -0.000 3/32400 910.0 1.181 1.131 0.846 0.000 0.000 -0.000 3/32400 920.0 1.172 1.120 0.837 0.000 0.000 -0.000 3/32400 930.0 1.163 1.109 0.829 0.000 0.000 -0.000 3/32400 940.0 1.155 1.098 0.821 0.000 0.000 -0.000 3/32400 950.0 1.147 1.087 0.813 0.000 0.000 -0.000 3/32400 960.0 1.139 1.077 0.806 0.000 0.000 -0.000 3/32400 970.0 1.131 1.067 0.798 0.000 0.000 -0.000 3/32400 980.0 1.123 1.057 0.791 0.000 0.000 -0.000 3/32400 990.0 1.115 1.047 0.783 0.000 0.000 -0.000 3/32400 1000.0 1.107 1.037 0.776 0.000 0.000 -0.000 3/32400 Thermal conductivity related properties were written into "kappa-m9106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:21:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|