----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:56:34]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.102427035061647 -4.624335329999999 0.000000000000000 b 4.102427035061647 4.624335329999999 0.000000000000000 c -1.252992049240892 0.000000000000000 7.354959959164119 Atomic positions (fractional): *1 P 0.19628803533464 0.80371196466536 0.75000000000000 30.974 *2 P 0.15896232334845 0.06729693538858 0.96408052860754 30.974 3 P 0.06729693538858 0.15896232334845 0.46408052860754 30.974 4 P 0.80371196466536 0.19628803533464 0.25000000000000 30.974 5 P 0.93270306461142 0.84103767665155 0.53591947139246 30.974 6 P 0.84103767665155 0.93270306461142 0.03591947139246 30.974 *7 Cd 0.89332108621960 0.60430677450036 0.21531471036182 112.411 8 Cd 0.39569322549964 0.10667891378040 0.28468528963818 112.411 9 Cd 0.10667891378040 0.39569322549964 0.78468528963818 112.411 10 Cd 0.60430677450036 0.89332108621960 0.71531471036182 112.411 *11 I 0.61985153171401 0.38014846828599 0.75000000000000 126.904 12 I 0.38014846828599 0.61985153171401 0.25000000000000 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.204854070123293 0.000000000000000 0.000000000000000 b 0.000000000000000 9.248670659999998 0.000000000000000 c -1.252992049240892 0.000000000000000 7.354959959164119 Atomic positions (fractional): *1 P 0.50000000000000 0.30371196466536 0.75000000000000 30.974 > 1 *2 P 0.11312962936852 0.95416730602007 0.96408052860754 30.974 > 2 3 P 0.11312962936852 0.04583269397993 0.46408052860754 30.974 > 3 4 P 0.50000000000000 0.69628803533464 0.25000000000000 30.974 > 4 5 P 0.88687037063148 0.95416730602007 0.53591947139246 30.974 > 5 6 P 0.88687037063148 0.04583269397993 0.03591947139246 30.974 > 6 7 P 0.00000000000000 0.80371196466536 0.75000000000000 30.974 > 1 8 P 0.61312962936852 0.45416730602007 0.96408052860754 30.974 > 2 9 P 0.61312962936852 0.54583269397993 0.46408052860754 30.974 > 3 10 P 0.00000000000000 0.19628803533464 0.25000000000000 30.974 > 4 11 P 0.38687037063148 0.45416730602007 0.53591947139246 30.974 > 5 12 P 0.38687037063148 0.54583269397993 0.03591947139246 30.974 > 6 *13 Cd 0.74881393035998 0.85549284414038 0.21531471036182 112.411 > 7 14 Cd 0.25118606964002 0.85549284414038 0.28468528963818 112.411 > 8 15 Cd 0.25118606964002 0.14450715585962 0.78468528963818 112.411 > 9 16 Cd 0.74881393035998 0.14450715585962 0.71531471036182 112.411 > 10 17 Cd 0.24881393035998 0.35549284414038 0.21531471036182 112.411 > 7 18 Cd 0.75118606964002 0.35549284414038 0.28468528963818 112.411 > 8 19 Cd 0.75118606964002 0.64450715585962 0.78468528963818 112.411 > 9 20 Cd 0.24881393035998 0.64450715585962 0.71531471036182 112.411 > 10 *21 I 0.50000000000000 0.88014846828599 0.75000000000000 126.904 > 11 22 I 0.50000000000000 0.11985153171401 0.25000000000000 126.904 > 12 23 I 0.00000000000000 0.38014846828599 0.75000000000000 126.904 > 11 24 I 0.00000000000000 0.61985153171401 0.25000000000000 126.904 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.409708140246586 0.000000000000000 0.000000000000000 b 0.000000000000000 9.248670659999998 0.000000000000000 c -2.505984098481784 0.000000000000000 14.709919918328238 Atomic positions (fractional): *1 P 0.25000000000000 0.30371196466536 0.37500000000000 30.974 > 1 2 P 0.75000000000000 0.30371196466536 0.37500000000000 30.974 > 1 3 P 0.25000000000000 0.30371196466536 0.87500000000000 30.974 > 1 4 P 0.75000000000000 0.30371196466536 0.87500000000000 30.974 > 1 *5 P 0.05656481468426 0.95416730602007 0.48204026430377 30.974 > 2 6 P 0.55656481468426 0.95416730602007 0.48204026430377 30.974 > 2 7 P 0.05656481468426 0.95416730602007 0.98204026430377 30.974 > 2 8 P 0.55656481468426 0.95416730602007 0.98204026430377 30.974 > 2 9 P 0.05656481468426 0.04583269397993 0.23204026430377 30.974 > 3 10 P 0.55656481468426 0.04583269397993 0.23204026430377 30.974 > 3 11 P 0.05656481468426 0.04583269397993 0.73204026430377 30.974 > 3 12 P 0.55656481468426 0.04583269397993 0.73204026430377 30.974 > 3 13 P 0.25000000000000 0.69628803533464 0.12500000000000 30.974 > 4 14 P 0.75000000000000 0.69628803533464 0.12500000000000 30.974 > 4 15 P 0.25000000000000 0.69628803533464 0.62500000000000 30.974 > 4 16 P 0.75000000000000 0.69628803533464 0.62500000000000 30.974 > 4 17 P 0.44343518531574 0.95416730602007 0.26795973569623 30.974 > 5 18 P 0.94343518531574 0.95416730602007 0.26795973569623 30.974 > 5 19 P 0.44343518531574 0.95416730602007 0.76795973569623 30.974 > 5 20 P 0.94343518531574 0.95416730602007 0.76795973569623 30.974 > 5 21 P 0.44343518531574 0.04583269397993 0.01795973569623 30.974 > 6 22 P 0.94343518531574 0.04583269397993 0.01795973569623 30.974 > 6 23 P 0.44343518531574 0.04583269397993 0.51795973569623 30.974 > 6 24 P 0.94343518531574 0.04583269397993 0.51795973569623 30.974 > 6 25 P 0.00000000000000 0.80371196466536 0.37500000000000 30.974 > 1 26 P 0.50000000000000 0.80371196466536 0.37500000000000 30.974 > 1 27 P 0.00000000000000 0.80371196466536 0.87500000000000 30.974 > 1 28 P 0.50000000000000 0.80371196466536 0.87500000000000 30.974 > 1 29 P 0.30656481468426 0.45416730602007 0.48204026430377 30.974 > 2 30 P 0.80656481468426 0.45416730602007 0.48204026430377 30.974 > 2 31 P 0.30656481468426 0.45416730602007 0.98204026430377 30.974 > 2 32 P 0.80656481468426 0.45416730602007 0.98204026430377 30.974 > 2 33 P 0.30656481468426 0.54583269397993 0.23204026430377 30.974 > 3 34 P 0.80656481468426 0.54583269397993 0.23204026430377 30.974 > 3 35 P 0.30656481468426 0.54583269397993 0.73204026430377 30.974 > 3 36 P 0.80656481468426 0.54583269397993 0.73204026430377 30.974 > 3 37 P 0.00000000000000 0.19628803533464 0.12500000000000 30.974 > 4 38 P 0.50000000000000 0.19628803533464 0.12500000000000 30.974 > 4 39 P 0.00000000000000 0.19628803533464 0.62500000000000 30.974 > 4 40 P 0.50000000000000 0.19628803533464 0.62500000000000 30.974 > 4 41 P 0.19343518531574 0.45416730602007 0.26795973569623 30.974 > 5 42 P 0.69343518531574 0.45416730602007 0.26795973569623 30.974 > 5 43 P 0.19343518531574 0.45416730602007 0.76795973569623 30.974 > 5 44 P 0.69343518531574 0.45416730602007 0.76795973569623 30.974 > 5 45 P 0.19343518531574 0.54583269397993 0.01795973569623 30.974 > 6 46 P 0.69343518531574 0.54583269397993 0.01795973569623 30.974 > 6 47 P 0.19343518531574 0.54583269397993 0.51795973569623 30.974 > 6 48 P 0.69343518531574 0.54583269397993 0.51795973569623 30.974 > 6 *49 Cd 0.37440696517999 0.85549284414038 0.10765735518091 112.411 > 7 50 Cd 0.87440696517999 0.85549284414038 0.10765735518091 112.411 > 7 51 Cd 0.37440696517999 0.85549284414038 0.60765735518091 112.411 > 7 52 Cd 0.87440696517999 0.85549284414038 0.60765735518091 112.411 > 7 53 Cd 0.12559303482001 0.85549284414038 0.14234264481909 112.411 > 8 54 Cd 0.62559303482001 0.85549284414038 0.14234264481909 112.411 > 8 55 Cd 0.12559303482001 0.85549284414038 0.64234264481909 112.411 > 8 56 Cd 0.62559303482001 0.85549284414038 0.64234264481909 112.411 > 8 57 Cd 0.12559303482001 0.14450715585962 0.39234264481909 112.411 > 9 58 Cd 0.62559303482001 0.14450715585962 0.39234264481909 112.411 > 9 59 Cd 0.12559303482001 0.14450715585962 0.89234264481909 112.411 > 9 60 Cd 0.62559303482001 0.14450715585962 0.89234264481909 112.411 > 9 61 Cd 0.37440696517999 0.14450715585962 0.35765735518091 112.411 > 10 62 Cd 0.87440696517999 0.14450715585962 0.35765735518091 112.411 > 10 63 Cd 0.37440696517999 0.14450715585962 0.85765735518091 112.411 > 10 64 Cd 0.87440696517999 0.14450715585962 0.85765735518091 112.411 > 10 65 Cd 0.12440696517999 0.35549284414038 0.10765735518091 112.411 > 7 66 Cd 0.62440696517999 0.35549284414038 0.10765735518091 112.411 > 7 67 Cd 0.12440696517999 0.35549284414038 0.60765735518091 112.411 > 7 68 Cd 0.62440696517999 0.35549284414038 0.60765735518091 112.411 > 7 69 Cd 0.37559303482001 0.35549284414038 0.14234264481909 112.411 > 8 70 Cd 0.87559303482001 0.35549284414038 0.14234264481909 112.411 > 8 71 Cd 0.37559303482001 0.35549284414038 0.64234264481909 112.411 > 8 72 Cd 0.87559303482001 0.35549284414038 0.64234264481909 112.411 > 8 73 Cd 0.37559303482001 0.64450715585962 0.39234264481909 112.411 > 9 74 Cd 0.87559303482001 0.64450715585962 0.39234264481909 112.411 > 9 75 Cd 0.37559303482001 0.64450715585962 0.89234264481909 112.411 > 9 76 Cd 0.87559303482001 0.64450715585962 0.89234264481909 112.411 > 9 77 Cd 0.12440696517999 0.64450715585962 0.35765735518091 112.411 > 10 78 Cd 0.62440696517999 0.64450715585962 0.35765735518091 112.411 > 10 79 Cd 0.12440696517999 0.64450715585962 0.85765735518091 112.411 > 10 80 Cd 0.62440696517999 0.64450715585962 0.85765735518091 112.411 > 10 *81 I 0.25000000000000 0.88014846828599 0.37500000000000 126.904 > 11 82 I 0.75000000000000 0.88014846828599 0.37500000000000 126.904 > 11 83 I 0.25000000000000 0.88014846828599 0.87500000000000 126.904 > 11 84 I 0.75000000000000 0.88014846828599 0.87500000000000 126.904 > 11 85 I 0.25000000000000 0.11985153171401 0.12500000000000 126.904 > 12 86 I 0.75000000000000 0.11985153171401 0.12500000000000 126.904 > 12 87 I 0.25000000000000 0.11985153171401 0.62500000000000 126.904 > 12 88 I 0.75000000000000 0.11985153171401 0.62500000000000 126.904 > 12 89 I 0.00000000000000 0.38014846828599 0.37500000000000 126.904 > 11 90 I 0.50000000000000 0.38014846828599 0.37500000000000 126.904 > 11 91 I 0.00000000000000 0.38014846828599 0.87500000000000 126.904 > 11 92 I 0.50000000000000 0.38014846828599 0.87500000000000 126.904 > 11 93 I 0.00000000000000 0.61985153171401 0.12500000000000 126.904 > 12 94 I 0.50000000000000 0.61985153171401 0.12500000000000 126.904 > 12 95 I 0.00000000000000 0.61985153171401 0.62500000000000 126.904 > 12 96 I 0.50000000000000 0.61985153171401 0.62500000000000 126.904 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.5108078 0.0000000 0.3254087 0.0000000 10.9045254 0.0000000 0.3254079 0.0000000 11.1261770 -------------------------- Born effective charges -------------------------- 1 P -1.1396247 0.0000000 0.0598870 0.0000000 -0.7232212 0.0000000 0.4379809 0.0000000 -0.3454845 2 P -0.7242793 -0.2967088 -0.1267573 0.0051590 -0.9969890 0.3472377 -0.3369274 0.1817583 -1.3393878 3 P -0.7242793 0.2967088 -0.1267573 -0.0051590 -0.9969890 -0.3472377 -0.3369274 -0.1817583 -1.3393878 4 P -1.1396247 0.0000000 0.0598870 0.0000000 -0.7232212 0.0000000 0.4379809 0.0000000 -0.3454845 5 P -0.7242793 0.2967088 -0.1267573 -0.0051590 -0.9969890 -0.3472377 -0.3369274 -0.1817583 -1.3393878 6 P -0.7242793 -0.2967088 -0.1267573 0.0051590 -0.9969890 0.3472377 -0.3369274 0.1817583 -1.3393878 7 Cd 2.5621307 -0.0204854 0.2002641 0.0413034 2.5396554 0.0685969 0.1712570 0.0120817 2.1381503 8 Cd 2.5621307 0.0204854 0.2002641 -0.0413034 2.5396554 -0.0685969 0.1712570 -0.0120817 2.1381503 9 Cd 2.5621307 -0.0204854 0.2002641 0.0413034 2.5396554 0.0685969 0.1712570 0.0120817 2.1381503 10 Cd 2.5621307 0.0204854 0.2002641 -0.0413034 2.5396554 -0.0685969 0.1712570 -0.0120817 2.1381503 11 I -2.5360781 0.0000000 -0.2069005 0.0000000 -2.3621116 0.0000000 -0.1066401 0.0000000 -1.2520404 12 I -2.5360781 0.0000000 -0.2069005 0.0000000 -2.3621116 0.0000000 -0.1066401 0.0000000 -1.2520404 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1390 Number of blocks in projector: 1390 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: 296 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 178 Use standard eigh solver. Tree of FC basis block matrices: - (1390, 1363), data: False |-- (178, 174), data: True |-- (178, 174), data: True |-- (178, 174), data: True |-- (280, 276), data: True |-- (280, 276), data: True |-- (296, 289), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.609 Solver_block: 200 / 400 - Time: 1.588 Solver_block: 300 / 400 - Time: 1.588 Solver_block: 400 / 400 - Time: 1.587 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.404 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1390 Number of blocks in projector: 1390 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: 296 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 178 Use standard eigh solver. Tree of FC basis block matrices: - (1390, 1363), data: False |-- (178, 174), data: True |-- (178, 174), data: True |-- (178, 174), data: True |-- (280, 276), data: True |-- (280, 276), data: True |-- (296, 289), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:56:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:56:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.102427035061647 -4.624335329999999 0.000000000000000 b 4.102427035061647 4.624335329999999 0.000000000000000 c -1.252992049240892 0.000000000000000 7.354959959164119 Atomic positions (fractional): 1 P 0.19628803533464 0.80371196466536 0.75000000000000 30.974 2 P 0.15896232334845 0.06729693538858 0.96408052860754 30.974 3 P 0.06729693538858 0.15896232334845 0.46408052860754 30.974 4 P 0.80371196466536 0.19628803533464 0.25000000000000 30.974 5 P 0.93270306461142 0.84103767665155 0.53591947139246 30.974 6 P 0.84103767665155 0.93270306461142 0.03591947139246 30.974 7 Cd 0.89332108621960 0.60430677450036 0.21531471036182 112.411 8 Cd 0.39569322549964 0.10667891378040 0.28468528963818 112.411 9 Cd 0.10667891378040 0.39569322549964 0.78468528963818 112.411 10 Cd 0.60430677450036 0.89332108621960 0.71531471036182 112.411 11 I 0.61985153171401 0.38014846828599 0.75000000000000 126.904 12 I 0.38014846828599 0.61985153171401 0.25000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.409708140246586 0.000000000000000 0.000000000000000 b 0.000000000000000 9.248670659999998 0.000000000000000 c -2.505984098481784 0.000000000000000 14.709919918328238 Atomic positions (fractional): 1 P 0.25000000000000 0.30371196466536 0.37500000000000 30.974 > 1 2 P 0.75000000000000 0.30371196466536 0.37500000000000 30.974 > 1 3 P 0.25000000000000 0.30371196466536 0.87500000000000 30.974 > 1 4 P 0.75000000000000 0.30371196466536 0.87500000000000 30.974 > 1 5 P 0.05656481468426 0.95416730602007 0.48204026430377 30.974 > 5 6 P 0.55656481468426 0.95416730602007 0.48204026430377 30.974 > 5 7 P 0.05656481468426 0.95416730602007 0.98204026430377 30.974 > 5 8 P 0.55656481468426 0.95416730602007 0.98204026430377 30.974 > 5 9 P 0.05656481468426 0.04583269397993 0.23204026430377 30.974 > 9 10 P 0.55656481468426 0.04583269397993 0.23204026430377 30.974 > 9 11 P 0.05656481468426 0.04583269397993 0.73204026430377 30.974 > 9 12 P 0.55656481468426 0.04583269397993 0.73204026430377 30.974 > 9 13 P 0.25000000000000 0.69628803533464 0.12500000000000 30.974 > 13 14 P 0.75000000000000 0.69628803533464 0.12500000000000 30.974 > 13 15 P 0.25000000000000 0.69628803533464 0.62500000000000 30.974 > 13 16 P 0.75000000000000 0.69628803533464 0.62500000000000 30.974 > 13 17 P 0.44343518531574 0.95416730602007 0.26795973569623 30.974 > 17 18 P 0.94343518531574 0.95416730602007 0.26795973569623 30.974 > 17 19 P 0.44343518531574 0.95416730602007 0.76795973569623 30.974 > 17 20 P 0.94343518531574 0.95416730602007 0.76795973569623 30.974 > 17 21 P 0.44343518531574 0.04583269397993 0.01795973569623 30.974 > 21 22 P 0.94343518531574 0.04583269397993 0.01795973569623 30.974 > 21 23 P 0.44343518531574 0.04583269397993 0.51795973569623 30.974 > 21 24 P 0.94343518531574 0.04583269397993 0.51795973569623 30.974 > 21 25 P 0.00000000000000 0.80371196466536 0.37500000000000 30.974 > 1 26 P 0.50000000000000 0.80371196466536 0.37500000000000 30.974 > 1 27 P 0.00000000000000 0.80371196466536 0.87500000000000 30.974 > 1 28 P 0.50000000000000 0.80371196466536 0.87500000000000 30.974 > 1 29 P 0.30656481468426 0.45416730602007 0.48204026430377 30.974 > 5 30 P 0.80656481468426 0.45416730602007 0.48204026430377 30.974 > 5 31 P 0.30656481468426 0.45416730602007 0.98204026430377 30.974 > 5 32 P 0.80656481468426 0.45416730602007 0.98204026430377 30.974 > 5 33 P 0.30656481468426 0.54583269397993 0.23204026430377 30.974 > 9 34 P 0.80656481468426 0.54583269397993 0.23204026430377 30.974 > 9 35 P 0.30656481468426 0.54583269397993 0.73204026430377 30.974 > 9 36 P 0.80656481468426 0.54583269397993 0.73204026430377 30.974 > 9 37 P 0.00000000000000 0.19628803533464 0.12500000000000 30.974 > 13 38 P 0.50000000000000 0.19628803533464 0.12500000000000 30.974 > 13 39 P 0.00000000000000 0.19628803533464 0.62500000000000 30.974 > 13 40 P 0.50000000000000 0.19628803533464 0.62500000000000 30.974 > 13 41 P 0.19343518531574 0.45416730602007 0.26795973569623 30.974 > 17 42 P 0.69343518531574 0.45416730602007 0.26795973569623 30.974 > 17 43 P 0.19343518531574 0.45416730602007 0.76795973569623 30.974 > 17 44 P 0.69343518531574 0.45416730602007 0.76795973569623 30.974 > 17 45 P 0.19343518531574 0.54583269397993 0.01795973569623 30.974 > 21 46 P 0.69343518531574 0.54583269397993 0.01795973569623 30.974 > 21 47 P 0.19343518531574 0.54583269397993 0.51795973569623 30.974 > 21 48 P 0.69343518531574 0.54583269397993 0.51795973569623 30.974 > 21 49 Cd 0.37440696517999 0.85549284414038 0.10765735518091 112.411 > 49 50 Cd 0.87440696517999 0.85549284414038 0.10765735518091 112.411 > 49 51 Cd 0.37440696517999 0.85549284414038 0.60765735518091 112.411 > 49 52 Cd 0.87440696517999 0.85549284414038 0.60765735518091 112.411 > 49 53 Cd 0.12559303482001 0.85549284414038 0.14234264481909 112.411 > 53 54 Cd 0.62559303482001 0.85549284414038 0.14234264481909 112.411 > 53 55 Cd 0.12559303482001 0.85549284414038 0.64234264481909 112.411 > 53 56 Cd 0.62559303482001 0.85549284414038 0.64234264481909 112.411 > 53 57 Cd 0.12559303482001 0.14450715585962 0.39234264481909 112.411 > 57 58 Cd 0.62559303482001 0.14450715585962 0.39234264481909 112.411 > 57 59 Cd 0.12559303482001 0.14450715585962 0.89234264481909 112.411 > 57 60 Cd 0.62559303482001 0.14450715585962 0.89234264481909 112.411 > 57 61 Cd 0.37440696517999 0.14450715585962 0.35765735518091 112.411 > 61 62 Cd 0.87440696517999 0.14450715585962 0.35765735518091 112.411 > 61 63 Cd 0.37440696517999 0.14450715585962 0.85765735518091 112.411 > 61 64 Cd 0.87440696517999 0.14450715585962 0.85765735518091 112.411 > 61 65 Cd 0.12440696517999 0.35549284414038 0.10765735518091 112.411 > 49 66 Cd 0.62440696517999 0.35549284414038 0.10765735518091 112.411 > 49 67 Cd 0.12440696517999 0.35549284414038 0.60765735518091 112.411 > 49 68 Cd 0.62440696517999 0.35549284414038 0.60765735518091 112.411 > 49 69 Cd 0.37559303482001 0.35549284414038 0.14234264481909 112.411 > 53 70 Cd 0.87559303482001 0.35549284414038 0.14234264481909 112.411 > 53 71 Cd 0.37559303482001 0.35549284414038 0.64234264481909 112.411 > 53 72 Cd 0.87559303482001 0.35549284414038 0.64234264481909 112.411 > 53 73 Cd 0.37559303482001 0.64450715585962 0.39234264481909 112.411 > 57 74 Cd 0.87559303482001 0.64450715585962 0.39234264481909 112.411 > 57 75 Cd 0.37559303482001 0.64450715585962 0.89234264481909 112.411 > 57 76 Cd 0.87559303482001 0.64450715585962 0.89234264481909 112.411 > 57 77 Cd 0.12440696517999 0.64450715585962 0.35765735518091 112.411 > 61 78 Cd 0.62440696517999 0.64450715585962 0.35765735518091 112.411 > 61 79 Cd 0.12440696517999 0.64450715585962 0.85765735518091 112.411 > 61 80 Cd 0.62440696517999 0.64450715585962 0.85765735518091 112.411 > 61 81 I 0.25000000000000 0.88014846828599 0.37500000000000 126.904 > 81 82 I 0.75000000000000 0.88014846828599 0.37500000000000 126.904 > 81 83 I 0.25000000000000 0.88014846828599 0.87500000000000 126.904 > 81 84 I 0.75000000000000 0.88014846828599 0.87500000000000 126.904 > 81 85 I 0.25000000000000 0.11985153171401 0.12500000000000 126.904 > 85 86 I 0.75000000000000 0.11985153171401 0.12500000000000 126.904 > 85 87 I 0.25000000000000 0.11985153171401 0.62500000000000 126.904 > 85 88 I 0.75000000000000 0.11985153171401 0.62500000000000 126.904 > 85 89 I 0.00000000000000 0.38014846828599 0.37500000000000 126.904 > 81 90 I 0.50000000000000 0.38014846828599 0.37500000000000 126.904 > 81 91 I 0.00000000000000 0.38014846828599 0.87500000000000 126.904 > 81 92 I 0.50000000000000 0.38014846828599 0.87500000000000 126.904 > 81 93 I 0.00000000000000 0.61985153171401 0.12500000000000 126.904 > 85 94 I 0.50000000000000 0.61985153171401 0.12500000000000 126.904 > 85 95 I 0.00000000000000 0.61985153171401 0.62500000000000 126.904 > 85 96 I 0.50000000000000 0.61985153171401 0.62500000000000 126.904 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.5108078 0.0000000 0.3254087 0.0000000 10.9045254 0.0000000 0.3254079 0.0000000 11.1261770 -------------------------- Born effective charges -------------------------- 1 P -1.1396247 0.0000000 0.0598870 0.0000000 -0.7232212 0.0000000 0.4379809 0.0000000 -0.3454845 2 P -0.7242793 -0.2967088 -0.1267573 0.0051590 -0.9969890 0.3472377 -0.3369274 0.1817583 -1.3393878 3 P -0.7242793 0.2967088 -0.1267573 -0.0051590 -0.9969890 -0.3472377 -0.3369274 -0.1817583 -1.3393878 4 P -1.1396247 0.0000000 0.0598870 0.0000000 -0.7232212 0.0000000 0.4379809 0.0000000 -0.3454845 5 P -0.7242793 0.2967088 -0.1267573 -0.0051590 -0.9969890 -0.3472377 -0.3369274 -0.1817583 -1.3393878 6 P -0.7242793 -0.2967088 -0.1267573 0.0051590 -0.9969890 0.3472377 -0.3369274 0.1817583 -1.3393878 7 Cd 2.5621307 -0.0204854 0.2002641 0.0413034 2.5396554 0.0685969 0.1712570 0.0120817 2.1381503 8 Cd 2.5621307 0.0204854 0.2002641 -0.0413034 2.5396554 -0.0685969 0.1712570 -0.0120817 2.1381503 9 Cd 2.5621307 -0.0204854 0.2002641 0.0413034 2.5396554 0.0685969 0.1712570 0.0120817 2.1381503 10 Cd 2.5621307 0.0204854 0.2002641 -0.0413034 2.5396554 -0.0685969 0.1712570 -0.0120817 2.1381503 11 I -2.5360781 0.0000000 -0.2069005 0.0000000 -2.3621116 0.0000000 -0.1066401 0.0000000 -1.2520404 12 I -2.5360781 0.0000000 -0.2069005 0.0000000 -2.3621116 0.0000000 -0.1066401 0.0000000 -1.2520404 ---------------------------------------------------------------------------- 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 5, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 81, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:57:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:57:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.102427035061647 -4.624335329999999 0.000000000000000 b 4.102427035061647 4.624335329999999 0.000000000000000 c -1.252992049240892 0.000000000000000 7.354959959164119 Atomic positions (fractional): 1 P 0.19628803533464 0.80371196466536 0.75000000000000 30.974 2 P 0.15896232334845 0.06729693538858 0.96408052860754 30.974 3 P 0.06729693538858 0.15896232334845 0.46408052860754 30.974 4 P 0.80371196466536 0.19628803533464 0.25000000000000 30.974 5 P 0.93270306461142 0.84103767665155 0.53591947139246 30.974 6 P 0.84103767665155 0.93270306461142 0.03591947139246 30.974 7 Cd 0.89332108621960 0.60430677450036 0.21531471036182 112.411 8 Cd 0.39569322549964 0.10667891378040 0.28468528963818 112.411 9 Cd 0.10667891378040 0.39569322549964 0.78468528963818 112.411 10 Cd 0.60430677450036 0.89332108621960 0.71531471036182 112.411 11 I 0.61985153171401 0.38014846828599 0.75000000000000 126.904 12 I 0.38014846828599 0.61985153171401 0.25000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.409708140246586 0.000000000000000 0.000000000000000 b 0.000000000000000 9.248670659999998 0.000000000000000 c -2.505984098481784 0.000000000000000 14.709919918328238 Atomic positions (fractional): 1 P 0.25000000000000 0.30371196466536 0.37500000000000 30.974 > 1 2 P 0.75000000000000 0.30371196466536 0.37500000000000 30.974 > 1 3 P 0.25000000000000 0.30371196466536 0.87500000000000 30.974 > 1 4 P 0.75000000000000 0.30371196466536 0.87500000000000 30.974 > 1 5 P 0.05656481468426 0.95416730602007 0.48204026430377 30.974 > 5 6 P 0.55656481468426 0.95416730602007 0.48204026430377 30.974 > 5 7 P 0.05656481468426 0.95416730602007 0.98204026430377 30.974 > 5 8 P 0.55656481468426 0.95416730602007 0.98204026430377 30.974 > 5 9 P 0.05656481468426 0.04583269397993 0.23204026430377 30.974 > 9 10 P 0.55656481468426 0.04583269397993 0.23204026430377 30.974 > 9 11 P 0.05656481468426 0.04583269397993 0.73204026430377 30.974 > 9 12 P 0.55656481468426 0.04583269397993 0.73204026430377 30.974 > 9 13 P 0.25000000000000 0.69628803533464 0.12500000000000 30.974 > 13 14 P 0.75000000000000 0.69628803533464 0.12500000000000 30.974 > 13 15 P 0.25000000000000 0.69628803533464 0.62500000000000 30.974 > 13 16 P 0.75000000000000 0.69628803533464 0.62500000000000 30.974 > 13 17 P 0.44343518531574 0.95416730602007 0.26795973569623 30.974 > 17 18 P 0.94343518531574 0.95416730602007 0.26795973569623 30.974 > 17 19 P 0.44343518531574 0.95416730602007 0.76795973569623 30.974 > 17 20 P 0.94343518531574 0.95416730602007 0.76795973569623 30.974 > 17 21 P 0.44343518531574 0.04583269397993 0.01795973569623 30.974 > 21 22 P 0.94343518531574 0.04583269397993 0.01795973569623 30.974 > 21 23 P 0.44343518531574 0.04583269397993 0.51795973569623 30.974 > 21 24 P 0.94343518531574 0.04583269397993 0.51795973569623 30.974 > 21 25 P 0.00000000000000 0.80371196466536 0.37500000000000 30.974 > 1 26 P 0.50000000000000 0.80371196466536 0.37500000000000 30.974 > 1 27 P 0.00000000000000 0.80371196466536 0.87500000000000 30.974 > 1 28 P 0.50000000000000 0.80371196466536 0.87500000000000 30.974 > 1 29 P 0.30656481468426 0.45416730602007 0.48204026430377 30.974 > 5 30 P 0.80656481468426 0.45416730602007 0.48204026430377 30.974 > 5 31 P 0.30656481468426 0.45416730602007 0.98204026430377 30.974 > 5 32 P 0.80656481468426 0.45416730602007 0.98204026430377 30.974 > 5 33 P 0.30656481468426 0.54583269397993 0.23204026430377 30.974 > 9 34 P 0.80656481468426 0.54583269397993 0.23204026430377 30.974 > 9 35 P 0.30656481468426 0.54583269397993 0.73204026430377 30.974 > 9 36 P 0.80656481468426 0.54583269397993 0.73204026430377 30.974 > 9 37 P 0.00000000000000 0.19628803533464 0.12500000000000 30.974 > 13 38 P 0.50000000000000 0.19628803533464 0.12500000000000 30.974 > 13 39 P 0.00000000000000 0.19628803533464 0.62500000000000 30.974 > 13 40 P 0.50000000000000 0.19628803533464 0.62500000000000 30.974 > 13 41 P 0.19343518531574 0.45416730602007 0.26795973569623 30.974 > 17 42 P 0.69343518531574 0.45416730602007 0.26795973569623 30.974 > 17 43 P 0.19343518531574 0.45416730602007 0.76795973569623 30.974 > 17 44 P 0.69343518531574 0.45416730602007 0.76795973569623 30.974 > 17 45 P 0.19343518531574 0.54583269397993 0.01795973569623 30.974 > 21 46 P 0.69343518531574 0.54583269397993 0.01795973569623 30.974 > 21 47 P 0.19343518531574 0.54583269397993 0.51795973569623 30.974 > 21 48 P 0.69343518531574 0.54583269397993 0.51795973569623 30.974 > 21 49 Cd 0.37440696517999 0.85549284414038 0.10765735518091 112.411 > 49 50 Cd 0.87440696517999 0.85549284414038 0.10765735518091 112.411 > 49 51 Cd 0.37440696517999 0.85549284414038 0.60765735518091 112.411 > 49 52 Cd 0.87440696517999 0.85549284414038 0.60765735518091 112.411 > 49 53 Cd 0.12559303482001 0.85549284414038 0.14234264481909 112.411 > 53 54 Cd 0.62559303482001 0.85549284414038 0.14234264481909 112.411 > 53 55 Cd 0.12559303482001 0.85549284414038 0.64234264481909 112.411 > 53 56 Cd 0.62559303482001 0.85549284414038 0.64234264481909 112.411 > 53 57 Cd 0.12559303482001 0.14450715585962 0.39234264481909 112.411 > 57 58 Cd 0.62559303482001 0.14450715585962 0.39234264481909 112.411 > 57 59 Cd 0.12559303482001 0.14450715585962 0.89234264481909 112.411 > 57 60 Cd 0.62559303482001 0.14450715585962 0.89234264481909 112.411 > 57 61 Cd 0.37440696517999 0.14450715585962 0.35765735518091 112.411 > 61 62 Cd 0.87440696517999 0.14450715585962 0.35765735518091 112.411 > 61 63 Cd 0.37440696517999 0.14450715585962 0.85765735518091 112.411 > 61 64 Cd 0.87440696517999 0.14450715585962 0.85765735518091 112.411 > 61 65 Cd 0.12440696517999 0.35549284414038 0.10765735518091 112.411 > 49 66 Cd 0.62440696517999 0.35549284414038 0.10765735518091 112.411 > 49 67 Cd 0.12440696517999 0.35549284414038 0.60765735518091 112.411 > 49 68 Cd 0.62440696517999 0.35549284414038 0.60765735518091 112.411 > 49 69 Cd 0.37559303482001 0.35549284414038 0.14234264481909 112.411 > 53 70 Cd 0.87559303482001 0.35549284414038 0.14234264481909 112.411 > 53 71 Cd 0.37559303482001 0.35549284414038 0.64234264481909 112.411 > 53 72 Cd 0.87559303482001 0.35549284414038 0.64234264481909 112.411 > 53 73 Cd 0.37559303482001 0.64450715585962 0.39234264481909 112.411 > 57 74 Cd 0.87559303482001 0.64450715585962 0.39234264481909 112.411 > 57 75 Cd 0.37559303482001 0.64450715585962 0.89234264481909 112.411 > 57 76 Cd 0.87559303482001 0.64450715585962 0.89234264481909 112.411 > 57 77 Cd 0.12440696517999 0.64450715585962 0.35765735518091 112.411 > 61 78 Cd 0.62440696517999 0.64450715585962 0.35765735518091 112.411 > 61 79 Cd 0.12440696517999 0.64450715585962 0.85765735518091 112.411 > 61 80 Cd 0.62440696517999 0.64450715585962 0.85765735518091 112.411 > 61 81 I 0.25000000000000 0.88014846828599 0.37500000000000 126.904 > 81 82 I 0.75000000000000 0.88014846828599 0.37500000000000 126.904 > 81 83 I 0.25000000000000 0.88014846828599 0.87500000000000 126.904 > 81 84 I 0.75000000000000 0.88014846828599 0.87500000000000 126.904 > 81 85 I 0.25000000000000 0.11985153171401 0.12500000000000 126.904 > 85 86 I 0.75000000000000 0.11985153171401 0.12500000000000 126.904 > 85 87 I 0.25000000000000 0.11985153171401 0.62500000000000 126.904 > 85 88 I 0.75000000000000 0.11985153171401 0.62500000000000 126.904 > 85 89 I 0.00000000000000 0.38014846828599 0.37500000000000 126.904 > 81 90 I 0.50000000000000 0.38014846828599 0.37500000000000 126.904 > 81 91 I 0.00000000000000 0.38014846828599 0.87500000000000 126.904 > 81 92 I 0.50000000000000 0.38014846828599 0.87500000000000 126.904 > 81 93 I 0.00000000000000 0.61985153171401 0.12500000000000 126.904 > 85 94 I 0.50000000000000 0.61985153171401 0.12500000000000 126.904 > 85 95 I 0.00000000000000 0.61985153171401 0.62500000000000 126.904 > 85 96 I 0.50000000000000 0.61985153171401 0.62500000000000 126.904 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.5108078 0.0000000 0.3254087 0.0000000 10.9045254 0.0000000 0.3254079 0.0000000 11.1261770 -------------------------- Born effective charges -------------------------- 1 P -1.1396247 0.0000000 0.0598870 0.0000000 -0.7232212 0.0000000 0.4379809 0.0000000 -0.3454845 2 P -0.7242793 -0.2967088 -0.1267573 0.0051590 -0.9969890 0.3472377 -0.3369274 0.1817583 -1.3393878 3 P -0.7242793 0.2967088 -0.1267573 -0.0051590 -0.9969890 -0.3472377 -0.3369274 -0.1817583 -1.3393878 4 P -1.1396247 0.0000000 0.0598870 0.0000000 -0.7232212 0.0000000 0.4379809 0.0000000 -0.3454845 5 P -0.7242793 0.2967088 -0.1267573 -0.0051590 -0.9969890 -0.3472377 -0.3369274 -0.1817583 -1.3393878 6 P -0.7242793 -0.2967088 -0.1267573 0.0051590 -0.9969890 0.3472377 -0.3369274 0.1817583 -1.3393878 7 Cd 2.5621307 -0.0204854 0.2002641 0.0413034 2.5396554 0.0685969 0.1712570 0.0120817 2.1381503 8 Cd 2.5621307 0.0204854 0.2002641 -0.0413034 2.5396554 -0.0685969 0.1712570 -0.0120817 2.1381503 9 Cd 2.5621307 -0.0204854 0.2002641 0.0413034 2.5396554 0.0685969 0.1712570 0.0120817 2.1381503 10 Cd 2.5621307 0.0204854 0.2002641 -0.0413034 2.5396554 -0.0685969 0.1712570 -0.0120817 2.1381503 11 I -2.5360781 0.0000000 -0.2069005 0.0000000 -2.3621116 0.0000000 -0.1066401 0.0000000 -1.2520404 12 I -2.5360781 0.0000000 -0.2069005 0.0000000 -2.3621116 0.0000000 -0.1066401 0.0000000 -1.2520404 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 7 ] 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: 0.64, Number of G-points: 299, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.008 ( 0.000 0.000 0.000) 0.000 1.136 ( 0.000 0.000 0.000) 0.000 1.455 ( 0.000 0.000 0.000) 0.000 1.513 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 1.986 ( 0.000 0.000 0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.279 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 8.044 ( 0.000 0.000 0.000) 0.000 8.091 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.036 ( 0.000 0.000 0.000) 0.000 9.262 ( 0.000 0.000 0.000) 0.000 9.670 ( 0.000 0.000 0.000) 0.000 10.182 ( 0.000 0.000 0.000) 0.000 12.873 ( 0.000 0.000 0.000) 0.000 12.891 ( 0.000 0.000 0.000) 0.000 13.138 ( 0.000 0.000 0.000) 0.000 13.209 ( 0.000 0.000 0.000) 0.000 13.738 ( 0.000 0.000 0.000) 0.000 13.805 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 10.406 -14.724 5.563) 18.869 0.430 ( 15.016 -12.135 6.695) 20.434 0.865 ( 27.945 -23.165 -2.366) 36.375 1.152 ( 2.978 -0.431 1.491) 3.358 1.169 ( 10.212 -7.651 3.655) 13.273 1.450 ( -0.787 -0.598 -0.296) 1.032 1.569 ( 2.423 -5.095 0.538) 5.667 1.751 ( 3.971 1.583 -0.993) 4.389 1.897 ( -1.032 0.938 0.113) 1.399 2.123 ( -0.142 -10.565 -1.547) 10.678 2.146 ( -1.312 -4.776 2.429) 5.516 2.317 ( 7.973 0.006 -3.799) 8.831 2.522 ( 0.330 -0.411 0.600) 0.798 2.878 ( 0.416 0.256 0.151) 0.511 2.980 ( 5.745 5.108 -0.832) 7.732 3.018 ( 1.363 1.438 3.613) 4.121 3.130 ( -0.103 -0.633 -0.276) 0.698 3.445 ( -5.885 -4.428 -5.211) 9.021 3.496 ( 0.305 -0.835 4.976) 5.055 5.067 ( -2.095 -3.778 -1.017) 4.438 5.385 ( 4.743 5.853 10.222) 12.699 5.966 ( 0.445 1.400 -2.934) 3.281 6.709 ( -7.965 -0.464 1.906) 8.203 7.972 ( -4.548 3.321 -4.647) 7.302 8.085 ( 1.326 4.452 0.264) 4.653 8.964 ( -3.482 1.174 -4.653) 5.929 9.088 ( 1.603 3.364 -0.271) 3.736 9.364 ( 2.922 -4.245 4.967) 7.158 9.712 ( 1.917 -3.160 -1.224) 3.893 10.198 ( 1.347 -0.970 -0.676) 1.792 12.872 ( -0.037 0.315 0.240) 0.398 12.893 ( -0.210 -0.372 0.599) 0.736 13.138 ( -0.357 -0.287 0.237) 0.516 13.227 ( 0.929 -1.468 -0.044) 1.738 13.737 ( 0.028 0.186 -0.314) 0.366 13.803 ( -0.072 0.155 0.148) 0.227 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 8.591 -10.620 3.998) 14.233 0.796 ( 10.727 -9.552 6.222) 15.653 1.153 ( 2.291 1.281 0.406) 2.656 1.336 ( 11.043 -4.551 0.991) 11.985 1.452 ( 0.607 -1.859 0.692) 2.074 1.581 ( 11.654 -11.078 -5.401) 16.962 1.701 ( 3.419 -1.026 0.923) 3.687 1.775 ( 3.158 -7.699 2.264) 8.624 1.895 ( -0.448 -3.076 0.241) 3.118 2.117 ( -2.941 -0.332 1.525) 3.330 2.372 ( 4.845 -6.500 5.430) 9.758 2.402 ( 5.511 0.628 -4.929) 7.421 2.708 ( 13.025 -16.920 -5.144) 21.964 2.866 ( -1.311 1.291 1.086) 2.137 2.968 ( -2.009 -1.350 -0.128) 2.424 3.059 ( 6.337 3.851 2.143) 7.719 3.153 ( 1.793 -1.403 -1.548) 2.753 3.388 ( -4.827 -1.714 -2.289) 5.610 3.537 ( 1.584 -1.369 3.040) 3.692 5.089 ( -1.538 -3.386 -0.107) 3.720 5.398 ( 2.839 4.602 5.446) 7.674 5.933 ( 0.142 2.616 -4.586) 5.281 6.560 ( -8.827 3.651 3.765) 10.267 7.836 ( -4.548 4.033 -3.852) 7.197 8.013 ( -1.088 5.973 0.737) 6.116 8.899 ( -2.962 -0.761 -4.815) 5.705 9.051 ( 0.565 3.962 1.554) 4.294 9.499 ( 4.665 -4.239 4.309) 7.635 9.779 ( 1.619 -2.506 -1.168) 3.204 10.241 ( 2.044 -1.612 -1.039) 2.802 12.868 ( 0.031 0.180 -0.139) 0.230 12.897 ( -0.302 -0.466 0.711) 0.902 13.139 ( -0.286 -0.462 0.406) 0.678 13.267 ( 1.141 -1.798 -0.051) 2.130 13.733 ( -0.024 0.257 -0.478) 0.543 13.800 ( -0.103 0.216 0.211) 0.319 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 4.710 -5.075 2.084) 7.230 1.027 ( 4.453 -5.192 5.419) 8.727 1.157 ( 1.613 2.330 -1.862) 3.391 1.436 ( 0.473 -1.729 0.393) 1.835 1.543 ( 3.921 -2.364 1.298) 4.759 1.681 ( 0.711 1.697 -2.072) 2.771 1.707 ( 0.652 -1.097 -1.279) 1.807 1.979 ( 2.444 -4.163 2.600) 5.483 2.034 ( 2.208 -5.001 -1.362) 5.634 2.090 ( 2.412 -4.739 1.540) 5.536 2.422 ( 1.667 0.147 -0.198) 1.685 2.548 ( 7.214 -2.646 1.732) 7.877 2.796 ( -5.025 1.356 0.761) 5.260 2.949 ( 0.850 -0.587 -0.249) 1.062 3.062 ( 2.534 0.063 -1.226) 2.815 3.130 ( 3.973 -4.659 -0.011) 6.123 3.199 ( -0.191 -1.855 -2.685) 3.269 3.448 ( 8.728 -9.827 -4.849) 14.010 3.597 ( 2.614 -2.465 4.372) 5.659 5.078 ( -3.516 1.025 1.399) 3.921 5.376 ( 0.709 2.807 2.084) 3.568 5.887 ( 0.036 2.226 -3.561) 4.200 6.399 ( -6.111 3.257 3.384) 7.707 7.726 ( -2.551 2.469 -2.949) 4.615 7.919 ( -1.500 4.264 0.873) 4.604 8.867 ( -1.605 -1.011 -3.137) 3.666 9.018 ( 0.506 2.583 1.690) 3.128 9.619 ( 3.012 -2.855 2.325) 4.757 9.817 ( 0.798 -0.927 -0.725) 1.422 10.287 ( 1.437 -1.221 -0.774) 2.038 12.867 ( 0.074 0.021 -0.121) 0.143 12.899 ( -0.263 -0.270 0.428) 0.570 13.144 ( -0.061 -0.424 0.333) 0.543 13.302 ( 0.699 -1.099 -0.022) 1.303 13.728 ( -0.058 0.170 -0.365) 0.407 13.796 ( -0.075 0.150 0.149) 0.225 ======================= Grid point 4 (5/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.000 -0.000 -0.000) 0.000 1.118 ( 0.000 -0.000 0.000) 0.000 1.130 ( 0.000 0.000 -0.000) 0.000 1.454 ( 0.000 -0.000 -0.000) 0.000 1.590 ( 0.000 -0.000 0.000) 0.000 1.673 ( 0.000 -0.000 -0.000) 0.000 1.715 ( 0.000 -0.000 0.000) 0.000 1.998 ( 0.000 -0.000 0.000) 0.000 2.071 ( 0.000 -0.000 0.000) 0.000 2.196 ( 0.000 -0.000 -0.000) 0.000 2.435 ( 0.000 -0.000 0.000) 0.000 2.672 ( -0.000 0.000 -0.000) 0.000 2.698 ( 0.000 -0.000 0.000) 0.000 2.973 ( 0.000 -0.000 -0.000) 0.000 3.041 ( 0.000 -0.000 0.000) 0.000 3.188 ( -0.000 -0.000 -0.000) 0.000 3.189 ( 0.000 -0.000 0.000) 0.000 3.574 ( 0.000 -0.000 -0.000) 0.000 3.726 ( 0.000 -0.000 0.000) 0.000 5.012 ( 0.000 -0.000 0.000) 0.000 5.370 ( 0.000 -0.000 -0.000) 0.000 5.866 ( 0.000 -0.000 -0.000) 0.000 6.332 ( 0.000 -0.000 0.000) 0.000 7.685 ( 0.000 -0.000 -0.000) 0.000 7.877 ( 0.000 -0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 -0.000 -0.000) 0.000 9.666 ( 0.000 -0.000 0.000) 0.000 9.828 ( 0.000 -0.000 0.000) 0.000 10.306 ( 0.000 -0.000 0.000) 0.000 12.868 ( 0.000 -0.000 0.000) 0.000 12.899 ( 0.000 -0.000 0.000) 0.000 13.147 ( 0.000 -0.000 0.000) 0.000 13.315 ( 0.000 -0.000 0.000) 0.000 13.726 ( 0.000 -0.000 0.000) 0.000 13.795 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/129) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 16.674 0.000 8.667) 18.792 0.728 ( 25.152 0.000 -0.706) 25.162 1.169 ( 7.177 0.000 4.143) 8.286 1.254 ( 28.719 0.000 -3.664) 28.952 1.296 ( 12.427 0.000 1.801) 12.557 1.429 ( -0.575 -0.000 0.504) 0.765 1.593 ( 5.585 0.000 1.209) 5.714 1.852 ( 0.044 0.000 0.166) 0.171 1.975 ( -0.174 -0.000 -2.333) 2.339 2.015 ( 14.321 0.000 -2.149) 14.481 2.104 ( -0.758 -0.000 3.213) 3.301 2.420 ( 5.521 0.000 -6.598) 8.604 2.533 ( 3.507 0.000 3.353) 4.852 2.901 ( 2.112 0.000 -0.298) 2.133 2.942 ( -5.350 -0.000 2.872) 6.072 3.133 ( 1.435 0.000 -0.898) 1.693 3.135 ( 3.045 0.000 -0.314) 3.061 3.348 ( -2.785 -0.000 1.819) 3.326 3.514 ( 1.518 0.000 1.390) 2.058 5.021 ( -0.594 -0.000 -0.297) 0.664 5.488 ( 1.368 0.000 7.950) 8.067 5.973 ( 0.502 0.000 -5.600) 5.623 6.595 ( -8.446 -0.000 4.614) 9.624 7.895 ( -6.514 -0.000 -4.409) 7.866 8.107 ( -2.563 -0.000 -0.217) 2.572 8.857 ( -5.848 -0.000 -7.211) 9.284 9.164 ( 3.008 0.000 -0.221) 3.016 9.416 ( 3.580 0.000 8.560) 9.279 9.736 ( 4.881 0.000 -2.197) 5.353 10.216 ( 2.114 0.000 -1.057) 2.363 12.872 ( -0.163 -0.000 -0.209) 0.265 12.891 ( -0.033 -0.000 1.079) 1.080 13.131 ( -0.359 -0.000 0.420) 0.552 13.240 ( 1.966 0.000 0.068) 1.968 13.737 ( -0.059 -0.000 -0.602) 0.605 13.803 ( -0.203 -0.000 0.335) 0.392 ======================= Grid point 11 (7/129) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 11.436 -3.063 6.768) 13.637 1.049 ( 23.173 6.493 0.547) 24.071 1.205 ( 2.334 0.992 0.045) 2.536 1.397 ( 0.458 -0.689 0.367) 0.905 1.504 ( 7.214 -0.235 1.235) 7.323 1.619 ( 7.839 -5.189 -3.439) 10.010 1.820 ( 1.653 1.847 -1.005) 2.674 1.835 ( 17.104 -3.327 2.988) 17.679 1.908 ( 5.624 5.614 -1.759) 8.139 2.082 ( -1.759 0.797 2.400) 3.081 2.394 ( 7.442 -3.952 2.995) 8.942 2.501 ( 12.248 -5.065 -7.226) 15.096 2.693 ( 11.165 -9.255 -1.232) 14.554 2.852 ( -4.264 1.521 3.158) 5.520 2.943 ( 1.222 -0.957 0.158) 1.560 3.155 ( 2.163 0.665 0.093) 2.265 3.191 ( 4.444 -0.871 -0.480) 4.554 3.302 ( -3.788 -0.555 0.509) 3.862 3.549 ( 1.413 -1.144 2.189) 2.845 5.032 ( -0.385 -2.259 0.049) 2.292 5.496 ( 0.372 3.636 5.095) 6.270 5.947 ( -0.236 1.486 -7.023) 7.182 6.455 ( -10.329 0.938 6.217) 12.092 7.772 ( -6.537 0.974 -3.857) 7.652 8.021 ( -5.667 2.476 0.769) 6.232 8.775 ( -4.636 -2.629 -7.589) 9.274 9.176 ( 3.592 5.380 1.081) 6.559 9.506 ( 1.661 -3.982 7.880) 8.983 9.816 ( 5.547 0.176 -2.655) 6.152 10.253 ( 2.128 -0.911 -0.995) 2.520 12.869 ( 0.010 0.056 -0.259) 0.265 12.896 ( 0.308 -0.001 0.987) 1.034 13.131 ( -0.095 -0.349 0.503) 0.619 13.279 ( 2.286 -0.503 0.181) 2.348 13.732 ( -0.150 0.117 -0.726) 0.750 13.799 ( -0.314 0.067 0.451) 0.554 ======================= Grid point 12 (8/129) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 3.504 -1.995 4.122) 5.767 1.201 ( 3.030 4.270 0.455) 5.256 1.266 ( 18.468 10.875 -1.608) 21.493 1.427 ( 1.454 -1.565 0.895) 2.316 1.575 ( 2.720 -0.320 -0.606) 2.805 1.698 ( -0.081 -0.809 -0.139) 0.825 1.773 ( 3.124 6.489 -0.937) 7.263 2.005 ( 7.495 -3.080 -2.361) 8.440 2.034 ( -0.837 2.305 2.842) 3.754 2.151 ( 12.458 -2.522 0.779) 12.734 2.439 ( 1.231 0.131 -2.616) 2.894 2.683 ( 9.230 2.311 1.624) 9.652 2.755 ( -3.972 2.364 2.430) 5.222 2.964 ( 0.959 -0.141 0.827) 1.274 3.021 ( 3.171 -5.649 -2.606) 6.982 3.184 ( 2.160 0.189 1.185) 2.471 3.211 ( 1.432 2.454 0.372) 2.866 3.422 ( 8.961 -11.684 -5.711) 15.794 3.609 ( 2.893 -3.200 4.373) 6.143 5.043 ( -1.827 -0.208 1.336) 2.273 5.425 ( -2.003 4.828 2.158) 5.656 5.903 ( -0.276 1.604 -5.622) 5.853 6.321 ( -7.776 -0.527 5.432) 9.500 7.671 ( -4.688 -0.671 -3.295) 5.770 7.901 ( -6.273 1.337 1.863) 6.679 8.743 ( -3.702 -4.603 -6.905) 9.087 9.151 ( 3.649 6.728 2.363) 8.010 9.594 ( -0.318 -4.153 5.364) 6.791 9.872 ( 4.506 2.090 -2.420) 5.525 10.292 ( 1.273 -0.889 -0.499) 1.631 12.869 ( 0.165 0.074 -0.189) 0.261 12.904 ( 0.650 0.284 0.693) 0.992 13.139 ( 0.192 -0.467 0.377) 0.630 13.315 ( 1.827 0.025 0.270) 1.847 13.727 ( -0.072 0.092 -0.577) 0.589 13.795 ( -0.334 0.005 0.427) 0.542 ======================= Grid point 13 (9/129) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -1.509 -1.755 1.351) 2.680 1.159 ( 0.628 5.058 -0.898) 5.175 1.324 ( 14.836 17.672 -2.258) 23.184 1.464 ( 1.171 0.165 0.533) 1.297 1.605 ( 1.561 1.550 -0.722) 2.316 1.699 ( -0.825 -0.284 2.102) 2.276 1.742 ( 3.587 4.689 -2.000) 6.233 1.995 ( -0.675 0.234 0.183) 0.737 2.131 ( 6.352 2.339 -0.302) 6.776 2.272 ( 4.679 4.792 -0.112) 6.699 2.433 ( -0.337 0.711 -3.683) 3.766 2.650 ( -3.968 4.154 0.903) 5.815 2.783 ( 6.038 0.908 2.073) 6.448 2.965 ( -1.799 0.703 0.843) 2.107 3.008 ( -1.814 -0.054 -0.708) 1.948 3.198 ( 0.567 1.109 0.613) 1.388 3.259 ( 5.539 1.113 2.123) 6.035 3.551 ( -0.697 -1.916 -2.376) 3.131 3.723 ( -1.253 1.489 1.897) 2.717 5.015 ( 1.067 -0.631 0.195) 1.255 5.366 ( -1.428 0.978 0.275) 1.752 5.870 ( -0.356 0.944 -1.798) 2.062 6.287 ( -1.987 -4.634 1.589) 5.287 7.641 ( -2.101 -3.482 -1.335) 4.280 7.827 ( -4.538 -2.323 1.959) 5.462 8.747 ( -3.118 -5.848 -5.367) 8.528 9.124 ( 3.887 6.393 2.568) 7.910 9.624 ( -2.777 -1.938 2.996) 4.522 9.886 ( 3.212 3.461 -1.925) 5.099 10.306 ( -0.097 0.143 0.244) 0.299 12.869 ( 0.090 0.164 -0.094) 0.209 12.911 ( 0.925 0.605 0.313) 1.149 13.148 ( 0.228 -0.145 0.048) 0.275 13.332 ( 1.067 0.988 0.275) 1.480 13.725 ( 0.050 0.005 -0.206) 0.212 13.792 ( -0.256 -0.143 0.275) 0.402 ======================= Grid point 14 (10/129) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -3.791 5.529 -3.276) 7.462 1.112 ( -1.094 1.173 1.723) 2.353 1.238 ( 9.691 20.885 -4.379) 23.436 1.455 ( -0.501 2.337 0.042) 2.390 1.548 ( -1.282 6.175 -0.864) 6.365 1.690 ( -0.485 1.312 3.505) 3.774 1.750 ( 4.491 3.555 -1.036) 5.820 2.000 ( 0.750 0.469 -1.901) 2.096 2.138 ( 2.721 8.201 1.427) 8.758 2.172 ( -0.056 11.352 -1.504) 11.451 2.398 ( -0.608 0.825 -4.530) 4.644 2.518 ( -4.523 5.760 0.123) 7.324 2.850 ( 2.738 0.164 -0.314) 2.761 2.932 ( -3.020 -1.724 1.755) 3.895 2.997 ( -0.428 0.273 0.560) 0.755 3.176 ( -0.394 3.556 0.335) 3.593 3.276 ( -4.065 11.429 6.189) 13.618 3.455 ( -5.077 5.956 3.575) 8.604 3.566 ( -3.088 1.101 -4.636) 5.678 5.108 ( 4.600 -2.791 -1.982) 5.734 5.328 ( -2.571 0.112 -0.485) 2.619 5.868 ( -0.108 -1.410 1.561) 2.106 6.392 ( 3.736 -8.262 -1.700) 9.226 7.693 ( 0.283 -6.153 1.335) 6.302 7.838 ( -2.168 -6.115 0.704) 6.526 8.776 ( -2.643 -6.584 -3.221) 7.792 9.114 ( 4.399 5.365 2.245) 7.292 9.576 ( -4.578 1.145 0.642) 4.763 9.870 ( 2.008 4.143 -1.047) 4.722 10.286 ( -1.289 1.417 0.753) 2.058 12.867 ( -0.055 0.157 -0.007) 0.167 12.916 ( 0.850 0.884 -0.061) 1.227 13.150 ( 0.215 0.257 -0.222) 0.401 13.323 ( 0.343 2.030 0.213) 2.069 13.727 ( 0.032 -0.111 0.125) 0.170 13.793 ( -0.131 -0.291 0.087) 0.331 ======================= Grid point 15 (11/129) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -5.405 13.717 -2.756) 14.999 1.006 ( 2.990 20.058 -3.437) 20.569 1.120 ( 0.429 2.314 -1.751) 2.934 1.342 ( -0.869 12.113 0.444) 12.152 1.475 ( -0.101 2.114 0.115) 2.119 1.611 ( -4.902 13.330 3.807) 14.704 1.732 ( -0.016 5.762 -1.143) 5.874 1.901 ( -0.129 13.409 -1.226) 13.465 1.961 ( -0.061 5.912 -2.021) 6.248 2.154 ( 1.253 0.209 0.841) 1.523 2.367 ( -2.947 5.623 1.850) 6.613 2.404 ( 3.457 1.782 -6.577) 7.641 2.735 ( -15.568 17.908 6.407) 24.579 2.869 ( 0.347 0.026 -0.534) 0.637 2.925 ( -5.174 0.864 -0.097) 5.246 3.025 ( 1.672 1.139 0.834) 2.188 3.162 ( -0.195 1.670 0.686) 1.816 3.479 ( 3.753 -0.127 3.502) 5.135 3.520 ( -0.988 0.480 -3.869) 4.022 5.150 ( 1.377 2.105 -0.415) 2.550 5.294 ( -2.735 -1.575 -2.471) 4.009 5.904 ( 0.047 -2.673 1.985) 3.330 6.581 ( 5.098 -8.831 -1.655) 10.331 7.815 ( 2.137 -7.987 2.367) 8.600 7.910 ( -1.337 -7.451 -0.608) 7.594 8.826 ( -1.948 -6.864 -0.925) 7.194 9.124 ( 4.168 3.947 1.690) 5.983 9.474 ( -3.876 3.377 -1.137) 5.265 9.826 ( 0.382 4.963 -0.109) 4.979 10.242 ( -1.289 2.004 0.625) 2.463 12.865 ( -0.102 -0.054 -0.007) 0.116 12.912 ( 0.443 1.003 -0.229) 1.120 13.148 ( 0.225 0.382 -0.216) 0.493 13.291 ( -0.151 2.815 0.120) 2.822 13.730 ( -0.027 -0.251 0.192) 0.318 13.796 ( -0.024 -0.358 -0.026) 0.360 ======================= Grid point 16 (12/129) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.000 18.829 -0.000) 18.829 0.725 ( 0.000 24.501 -0.000) 24.501 1.106 ( 0.000 37.726 -0.000) 37.726 1.116 ( -0.000 -0.983 0.000) 0.983 1.199 ( 0.000 11.751 -0.000) 11.751 1.461 ( 0.000 0.643 -0.000) 0.643 1.639 ( 0.000 7.004 -0.000) 7.004 1.792 ( 0.000 7.654 -0.000) 7.654 1.902 ( 0.000 1.345 -0.000) 1.345 2.185 ( -0.000 -2.203 0.000) 2.203 2.258 ( 0.000 5.228 -0.000) 5.228 2.318 ( 0.000 16.287 -0.000) 16.287 2.494 ( -0.000 -2.056 0.000) 2.056 2.857 ( 0.000 0.387 -0.000) 0.387 2.880 ( 0.000 0.626 -0.000) 0.626 3.032 ( 0.000 0.507 -0.000) 0.507 3.146 ( 0.000 1.151 -0.000) 1.151 3.494 ( 0.000 0.780 -0.000) 0.780 3.533 ( -0.000 -0.802 0.000) 0.802 5.132 ( 0.000 1.804 -0.000) 1.804 5.273 ( -0.000 -0.410 0.000) 0.410 5.941 ( -0.000 -2.263 0.000) 2.263 6.735 ( -0.000 -6.756 0.000) 6.756 7.965 ( -0.000 -8.373 0.000) 8.373 7.974 ( -0.000 -4.980 0.000) 4.980 8.899 ( -0.000 -6.419 0.000) 6.419 9.117 ( 0.000 3.203 -0.000) 3.203 9.394 ( 0.000 3.181 -0.000) 3.181 9.754 ( 0.000 5.215 -0.000) 5.215 10.206 ( 0.000 1.678 -0.000) 1.678 12.866 ( -0.000 -0.294 0.000) 0.294 12.902 ( 0.000 0.808 -0.000) 0.808 13.145 ( 0.000 0.319 -0.000) 0.319 13.250 ( 0.000 2.705 -0.000) 2.705 13.734 ( -0.000 -0.295 0.000) 0.295 13.801 ( -0.000 -0.302 0.000) 0.302 ======================= Grid point 19 (13/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 5.451 0.000 4.374) 6.989 1.258 ( 3.920 0.000 0.852) 4.012 1.371 ( 5.548 0.000 -1.148) 5.666 1.449 ( 12.790 0.000 1.990) 12.944 1.626 ( 1.725 0.000 -3.828) 4.199 1.655 ( 9.321 0.000 2.711) 9.707 1.827 ( 0.903 0.000 0.129) 0.912 2.011 ( 0.506 0.000 -1.286) 1.382 2.102 ( 16.801 0.000 0.873) 16.824 2.133 ( 3.606 0.000 4.506) 5.771 2.485 ( 4.362 0.000 -9.254) 10.230 2.726 ( 25.165 0.000 -1.307) 25.199 2.789 ( 8.609 0.000 0.248) 8.613 2.806 ( -2.599 -0.000 3.944) 4.724 2.960 ( 1.182 0.000 0.117) 1.188 3.212 ( 2.239 0.000 0.150) 2.244 3.213 ( 2.375 0.000 -1.431) 2.773 3.260 ( -0.430 -0.000 1.338) 1.406 3.568 ( 1.700 0.000 2.960) 3.413 5.022 ( 0.656 0.000 0.621) 0.904 5.525 ( -1.914 -0.000 4.000) 4.435 5.920 ( -1.759 -0.000 -8.955) 9.127 6.314 ( -10.872 -0.000 8.214) 13.626 7.661 ( -6.927 -0.000 -3.410) 7.721 7.924 ( -8.853 -0.000 1.223) 8.938 8.675 ( -3.429 -0.000 -7.706) 8.434 9.270 ( 3.329 0.000 -1.123) 3.513 9.511 ( 0.289 0.000 9.327) 9.331 9.904 ( 5.787 0.000 -2.744) 6.405 10.276 ( 1.807 0.000 -0.617) 1.909 12.870 ( 0.229 0.000 -0.224) 0.320 12.909 ( 0.947 0.000 0.934) 1.330 13.131 ( 0.249 0.000 0.538) 0.593 13.316 ( 2.594 0.000 0.377) 2.621 13.729 ( -0.101 -0.000 -0.814) 0.820 13.795 ( -0.475 -0.000 0.608) 0.771 ======================= Grid point 20 (14/129) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -0.932 -0.552 1.027) 1.493 1.290 ( 2.526 4.140 0.760) 4.909 1.421 ( 1.812 -2.101 0.720) 2.866 1.623 ( 3.547 0.473 -1.114) 3.748 1.629 ( 6.728 0.791 -0.984) 6.845 1.756 ( 7.902 7.212 2.429) 10.971 1.877 ( 4.401 0.950 1.483) 4.741 1.997 ( -1.546 -0.500 0.120) 1.629 2.197 ( 8.553 2.869 1.697) 9.180 2.324 ( 10.438 -0.421 0.607) 10.464 2.501 ( 6.362 5.187 -10.091) 13.008 2.743 ( -2.877 2.166 4.436) 5.714 2.857 ( 5.390 3.951 1.475) 6.844 2.974 ( 1.347 0.273 -0.059) 1.376 3.031 ( 1.765 -0.040 -0.418) 1.814 3.222 ( 2.345 0.773 0.093) 2.471 3.269 ( 4.854 -0.846 1.142) 5.058 3.392 ( 7.397 -8.053 -6.774) 12.863 3.654 ( 8.281 -2.465 5.605) 10.299 5.033 ( -0.147 0.409 1.833) 1.884 5.447 ( -4.429 4.215 2.076) 6.457 5.875 ( -1.569 -1.283 -8.385) 8.626 6.191 ( -8.789 -1.700 7.966) 11.983 7.566 ( -5.278 -1.591 -2.984) 6.269 7.789 ( -8.861 -0.607 2.021) 9.109 8.628 ( -2.574 -2.425 -6.553) 7.446 9.278 ( 2.440 4.029 -0.419) 4.729 9.554 ( -0.493 -2.408 6.744) 7.178 9.963 ( 4.184 1.715 -2.296) 5.071 10.301 ( 1.121 -0.319 -0.116) 1.171 12.874 ( 0.335 0.114 -0.183) 0.399 12.927 ( 1.337 0.385 0.723) 1.567 13.140 ( 0.462 -0.260 0.419) 0.676 13.351 ( 2.001 0.378 0.441) 2.084 13.727 ( 0.169 0.058 -0.646) 0.670 13.789 ( -0.491 -0.058 0.583) 0.765 ======================= Grid point 21 (15/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -3.101 -1.026 -0.419) 3.293 1.247 ( 1.202 5.555 -0.216) 5.687 1.464 ( 0.597 -0.913 0.765) 1.333 1.631 ( 2.310 5.227 -1.547) 5.921 1.683 ( 0.613 -0.324 0.877) 1.118 1.754 ( 4.371 7.892 0.050) 9.022 1.919 ( 8.195 6.098 1.893) 10.388 1.989 ( 0.712 0.702 1.564) 1.857 2.293 ( 5.375 1.812 -0.476) 5.692 2.418 ( 5.270 4.392 -0.782) 6.904 2.492 ( 7.895 8.219 -9.663) 14.942 2.669 ( -2.427 4.683 2.819) 5.981 2.863 ( 1.015 1.683 2.467) 3.154 2.958 ( -2.524 2.839 0.507) 3.832 3.003 ( 0.308 0.238 0.152) 0.418 3.227 ( 0.630 1.488 0.259) 1.636 3.371 ( 6.488 0.447 2.073) 6.826 3.493 ( -0.738 -3.603 -3.927) 5.380 3.783 ( 1.955 7.787 3.486) 8.753 5.034 ( 2.645 -0.807 0.460) 2.804 5.352 ( -3.124 1.346 0.960) 3.535 5.856 ( -0.980 -0.668 -4.392) 4.550 6.161 ( -4.257 -7.303 3.945) 9.329 7.539 ( -2.801 -4.533 -1.853) 5.641 7.705 ( -6.168 -3.581 2.287) 7.490 8.624 ( -2.009 -4.177 -4.597) 6.528 9.254 ( 2.358 4.453 0.299) 5.048 9.574 ( -1.930 -0.898 3.814) 4.368 9.976 ( 2.747 3.171 -1.675) 4.518 10.311 ( 0.096 0.446 0.341) 0.570 12.875 ( 0.206 0.329 -0.116) 0.405 12.940 ( 1.280 0.833 0.411) 1.582 13.151 ( 0.383 -0.143 0.143) 0.433 13.366 ( 1.179 1.104 0.354) 1.654 13.728 ( 0.274 0.159 -0.300) 0.436 13.786 ( -0.363 -0.201 0.390) 0.569 ======================= Grid point 22 (16/129) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -2.661 -0.288 -0.973) 2.848 1.179 ( 0.509 6.875 -0.062) 6.894 1.474 ( 0.101 0.440 0.447) 0.635 1.515 ( -0.252 12.238 -1.409) 12.321 1.674 ( 0.672 8.825 0.370) 8.858 1.698 ( 0.316 -0.047 0.017) 0.320 1.977 ( 7.747 4.186 0.044) 8.806 2.007 ( 3.683 3.324 3.030) 5.813 2.253 ( -3.803 5.902 -2.536) 7.465 2.361 ( 2.640 12.695 -0.619) 12.982 2.480 ( 7.397 7.509 -7.431) 12.897 2.559 ( -1.235 7.111 1.540) 7.380 2.875 ( 0.792 -0.400 0.993) 1.331 2.895 ( -0.675 1.981 -0.006) 2.093 2.996 ( -2.578 -0.132 2.039) 3.290 3.211 ( 0.402 1.933 0.315) 1.999 3.417 ( -2.333 14.489 6.235) 15.945 3.487 ( -0.413 3.253 1.215) 3.497 3.520 ( -4.645 5.022 -4.091) 7.971 5.145 ( 5.829 -2.469 -2.236) 6.714 5.292 ( -3.675 0.747 1.512) 4.044 5.847 ( -0.563 -1.290 -0.239) 1.428 6.279 ( 0.527 -12.450 -0.089) 12.461 7.592 ( -0.803 -7.497 -0.176) 7.542 7.714 ( -2.546 -6.633 1.177) 7.202 8.655 ( -1.323 -5.399 -2.235) 5.991 9.236 ( 2.315 3.830 0.493) 4.502 9.540 ( -2.458 1.579 1.383) 3.232 9.956 ( 1.515 4.184 -0.851) 4.530 10.293 ( -0.591 1.600 0.440) 1.761 12.871 ( 0.025 0.439 -0.042) 0.442 12.943 ( 0.729 1.177 0.107) 1.388 13.155 ( 0.198 0.123 -0.053) 0.239 13.359 ( 0.484 1.975 0.183) 2.042 13.728 ( 0.105 0.174 -0.028) 0.206 13.786 ( -0.162 -0.346 0.148) 0.410 ======================= Grid point 23 (17/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.000 7.637 -0.000) 7.637 1.093 ( 0.000 4.311 -0.000) 4.311 1.311 ( 0.000 16.173 -0.000) 16.173 1.463 ( 0.000 2.370 -0.000) 2.370 1.549 ( 0.000 9.635 -0.000) 9.635 1.697 ( 0.000 1.183 -0.000) 1.183 1.963 ( 0.000 19.375 -0.000) 19.375 2.014 ( 0.000 1.464 -0.000) 1.464 2.038 ( 0.000 8.867 -0.000) 8.867 2.208 ( 0.000 9.333 -0.000) 9.333 2.441 ( 0.000 5.879 -0.000) 5.879 2.481 ( 0.000 4.422 -0.000) 4.422 2.859 ( 0.000 16.093 -0.000) 16.093 2.871 ( 0.000 0.990 -0.000) 0.990 2.903 ( 0.000 0.770 -0.000) 0.770 3.087 ( 0.000 10.346 -0.000) 10.346 3.189 ( 0.000 1.959 -0.000) 1.959 3.502 ( -0.000 -0.546 0.000) 0.546 3.509 ( -0.000 -0.797 0.000) 0.797 5.191 ( 0.000 1.997 -0.000) 1.997 5.258 ( -0.000 -0.760 0.000) 0.760 5.872 ( -0.000 -2.469 0.000) 2.469 6.466 ( -0.000 -12.755 0.000) 12.755 7.706 ( -0.000 -9.620 0.000) 9.620 7.796 ( -0.000 -7.524 0.000) 7.524 8.720 ( -0.000 -6.278 0.000) 6.278 9.210 ( 0.000 3.489 -0.000) 3.489 9.484 ( 0.000 3.087 -0.000) 3.087 9.903 ( 0.000 5.174 -0.000) 5.174 10.261 ( 0.000 2.142 -0.000) 2.142 12.866 ( 0.000 0.281 -0.000) 0.281 12.932 ( 0.000 1.271 -0.000) 1.271 13.154 ( 0.000 0.278 -0.000) 0.278 13.330 ( 0.000 2.776 -0.000) 2.776 13.728 ( -0.000 -0.037 0.000) 0.037 13.790 ( -0.000 -0.413 0.000) 0.413 ======================= Grid point 28 (18/129) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -3.103 -0.000 -0.541) 3.149 1.353 ( -0.140 -0.000 0.895) 0.906 1.424 ( 1.473 0.000 0.306) 1.504 1.649 ( 2.405 0.000 -1.249) 2.710 1.713 ( 3.935 0.000 1.065) 4.076 1.876 ( 0.832 0.000 -0.665) 1.065 1.960 ( -1.694 -0.000 0.746) 1.851 2.038 ( 10.020 0.000 5.068) 11.229 2.286 ( 3.107 0.000 0.103) 3.109 2.472 ( 8.487 0.000 0.248) 8.491 2.656 ( 10.199 0.000 -10.246) 14.456 2.732 ( -2.038 -0.000 3.843) 4.350 2.934 ( 1.095 0.000 1.748) 2.063 3.002 ( 0.811 0.000 -0.280) 0.858 3.010 ( -4.510 -0.000 0.960) 4.611 3.263 ( 0.772 0.000 -0.270) 0.818 3.361 ( 7.596 0.000 -2.256) 7.924 3.404 ( 2.818 0.000 -3.374) 4.396 3.865 ( 18.030 0.000 3.975) 18.463 5.044 ( -0.277 -0.000 2.617) 2.632 5.390 ( -7.562 -0.000 1.998) 7.821 5.810 ( -0.572 -0.000 -9.978) 9.994 6.070 ( -8.028 -0.000 8.846) 11.945 7.475 ( -3.800 -0.000 -2.595) 4.601 7.654 ( -8.012 -0.000 2.057) 8.271 8.566 ( -1.629 -0.000 -4.854) 5.120 9.323 ( 0.633 0.000 -1.611) 1.731 9.554 ( 0.048 0.000 5.849) 5.849 10.022 ( 2.627 0.000 -1.703) 3.130 10.315 ( 0.897 0.000 0.141) 0.908 12.880 ( 0.364 0.000 -0.145) 0.392 12.953 ( 1.421 0.000 0.549) 1.524 13.147 ( 0.526 0.000 0.353) 0.634 13.381 ( 1.331 0.000 0.407) 1.391 13.731 ( 0.476 0.000 -0.492) 0.685 13.783 ( -0.458 -0.000 0.522) 0.695 ======================= Grid point 29 (19/129) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -2.523 -0.585 -0.636) 2.667 1.317 ( -0.307 3.111 0.043) 3.127 1.456 ( 0.532 -1.253 0.326) 1.400 1.685 ( 1.818 -0.088 -0.488) 1.884 1.733 ( 1.314 3.835 0.734) 4.120 1.851 ( -0.062 3.647 -0.618) 3.700 1.945 ( -0.880 -1.152 0.350) 1.491 2.150 ( 5.531 2.492 5.785) 8.383 2.319 ( 1.011 0.500 -3.790) 3.955 2.567 ( 6.066 2.807 0.296) 6.691 2.684 ( -0.948 4.185 0.392) 4.308 2.758 ( 9.152 5.116 -6.506) 12.339 2.898 ( -1.643 3.324 2.393) 4.413 2.955 ( -1.104 1.175 0.499) 1.688 2.987 ( -3.200 -0.300 1.037) 3.377 3.256 ( 0.331 1.312 -0.179) 1.365 3.425 ( -0.359 -3.154 -3.101) 4.438 3.465 ( 4.220 0.225 1.049) 4.354 4.030 ( 8.148 13.943 1.944) 16.266 5.062 ( 2.688 -2.717 0.834) 3.912 5.286 ( -6.320 -1.106 1.404) 6.568 5.814 ( 0.771 -1.687 -6.660) 6.914 6.013 ( -4.916 -4.965 5.864) 9.122 7.447 ( -1.602 -2.846 -1.569) 3.624 7.580 ( -4.415 -2.790 1.587) 5.459 8.551 ( -0.892 -2.041 -2.518) 3.361 9.312 ( 0.325 1.568 -0.776) 1.779 9.564 ( -0.325 0.357 2.854) 2.895 10.036 ( 1.283 1.596 -0.916) 2.244 10.322 ( 0.315 0.551 0.209) 0.669 12.882 ( 0.192 0.286 -0.076) 0.352 12.969 ( 0.884 0.569 0.269) 1.085 13.155 ( 0.304 -0.055 0.150) 0.343 13.393 ( 0.598 0.567 0.227) 0.854 13.736 ( 0.360 0.241 -0.212) 0.483 13.779 ( -0.257 -0.141 0.277) 0.403 ======================= Grid point 30 (20/129) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -0.000 -0.919 0.000) 0.919 1.266 ( 0.000 4.815 -0.000) 4.815 1.473 ( -0.000 -0.692 0.000) 0.692 1.653 ( 0.000 8.784 -0.000) 8.784 1.698 ( 0.000 0.007 -0.000) 0.007 1.781 ( 0.000 6.363 -0.000) 6.363 1.966 ( -0.000 -2.414 0.000) 2.414 2.181 ( 0.000 2.210 -0.000) 2.210 2.266 ( 0.000 5.598 -0.000) 5.598 2.553 ( 0.000 10.414 -0.000) 10.414 2.587 ( 0.000 4.713 -0.000) 4.713 2.712 ( 0.000 9.888 -0.000) 9.888 2.911 ( 0.000 0.438 -0.000) 0.438 2.924 ( 0.000 2.086 -0.000) 2.086 2.934 ( -0.000 -0.914 0.000) 0.914 3.241 ( 0.000 1.625 -0.000) 1.625 3.455 ( -0.000 -2.783 0.000) 2.783 3.496 ( 0.000 0.168 -0.000) 0.168 3.763 ( 0.000 27.558 -0.000) 27.558 5.183 ( -0.000 -4.005 0.000) 4.005 5.232 ( -0.000 -1.002 0.000) 1.002 5.823 ( -0.000 -1.030 0.000) 1.030 6.106 ( -0.000 -11.805 0.000) 11.805 7.492 ( -0.000 -5.702 0.000) 5.702 7.607 ( -0.000 -5.660 0.000) 5.660 8.580 ( -0.000 -3.774 0.000) 3.774 9.290 ( 0.000 2.185 -0.000) 2.185 9.549 ( 0.000 1.629 -0.000) 1.629 10.015 ( 0.000 2.931 -0.000) 2.931 10.311 ( 0.000 1.379 -0.000) 1.379 12.878 ( 0.000 0.506 -0.000) 0.506 12.965 ( 0.000 1.034 -0.000) 1.034 13.158 ( 0.000 0.030 -0.000) 0.030 13.385 ( 0.000 1.255 -0.000) 1.255 13.734 ( 0.000 0.390 -0.000) 0.390 13.780 ( -0.000 -0.282 0.000) 0.282 ======================= Grid point 38 (21/129) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 73 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -0.000 -0.000 0.000) 0.000 1.330 ( -0.000 -0.000 0.000) 0.000 1.453 ( -0.000 -0.000 0.000) 0.000 1.701 ( -0.000 -0.000 0.000) 0.000 1.775 ( -0.000 -0.000 0.000) 0.000 1.872 ( -0.000 -0.000 0.000) 0.000 1.927 ( -0.000 -0.000 0.000) 0.000 2.207 ( -0.000 -0.000 0.000) 0.000 2.335 ( -0.000 -0.000 0.000) 0.000 2.645 ( -0.000 -0.000 0.000) 0.000 2.694 ( -0.000 -0.000 0.000) 0.000 2.894 ( 0.000 0.000 -0.000) 0.000 2.903 ( -0.000 -0.000 0.000) 0.000 2.919 ( -0.000 -0.000 0.000) 0.000 2.966 ( -0.000 -0.000 0.000) 0.000 3.265 ( -0.000 -0.000 0.000) 0.000 3.396 ( -0.000 -0.000 0.000) 0.000 3.501 ( -0.000 -0.000 0.000) 0.000 4.247 ( -0.000 -0.000 0.000) 0.000 5.036 ( -0.000 -0.000 0.000) 0.000 5.216 ( -0.000 -0.000 0.000) 0.000 5.811 ( -0.000 -0.000 0.000) 0.000 5.938 ( -0.000 -0.000 0.000) 0.000 7.413 ( -0.000 -0.000 0.000) 0.000 7.526 ( -0.000 -0.000 0.000) 0.000 8.528 ( -0.000 -0.000 0.000) 0.000 9.321 ( -0.000 -0.000 0.000) 0.000 9.571 ( -0.000 -0.000 0.000) 0.000 10.055 ( -0.000 -0.000 0.000) 0.000 10.330 ( -0.000 -0.000 0.000) 0.000 12.886 ( -0.000 -0.000 0.000) 0.000 12.980 ( -0.000 -0.000 0.000) 0.000 13.158 ( -0.000 -0.000 0.000) 0.000 13.401 ( -0.000 -0.000 0.000) 0.000 13.741 ( -0.000 -0.000 0.000) 0.000 13.776 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 67 (22/129) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( -0.234 -0.000 18.675) 18.676 0.424 ( -6.419 -0.000 21.191) 22.142 0.716 ( -1.447 -0.000 33.078) 33.110 1.021 ( 2.520 0.000 1.257) 2.816 1.404 ( -1.283 -0.000 0.165) 1.294 1.444 ( 0.026 0.000 -1.037) 1.037 1.524 ( 0.169 0.000 0.193) 0.257 1.692 ( -2.767 -0.000 1.062) 2.964 1.976 ( 1.576 0.000 4.474) 4.743 1.977 ( -1.861 -0.000 -0.774) 2.015 2.148 ( 6.225 0.000 -2.420) 6.679 2.234 ( -6.051 -0.000 -0.915) 6.120 2.541 ( 1.258 0.000 1.205) 1.742 2.834 ( 8.776 0.000 -4.278) 9.763 2.862 ( 0.088 0.000 -1.247) 1.250 2.976 ( 3.335 0.000 -3.849) 5.093 3.066 ( -0.974 -0.000 0.236) 1.002 3.125 ( 1.381 0.000 -0.475) 1.460 3.748 ( -1.152 -0.000 6.343) 6.447 4.990 ( 0.618 0.000 -5.022) 5.060 5.412 ( 11.619 0.000 1.713) 11.745 5.896 ( -2.291 -0.000 -7.048) 7.411 6.805 ( 1.154 0.000 8.050) 8.132 7.997 ( -2.234 -0.000 -8.327) 8.621 8.222 ( -5.583 -0.000 3.617) 6.652 8.960 ( -5.999 -0.000 -6.711) 9.002 9.065 ( -0.117 -0.000 2.718) 2.720 9.271 ( 7.077 0.000 0.380) 7.087 9.713 ( -1.221 -0.000 4.134) 4.310 10.165 ( 0.018 0.000 -1.702) 1.703 12.893 ( -0.157 -0.000 0.648) 0.666 12.929 ( 0.100 0.000 2.153) 2.156 13.120 ( 0.464 0.000 -1.739) 1.800 13.200 ( 0.256 0.000 -0.958) 0.991 13.734 ( -0.348 -0.000 -0.372) 0.510 13.795 ( 0.380 0.000 -1.000) 1.070 ======================= Grid point 68 (23/129) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 5.865 -10.825 14.259) 18.839 0.730 ( 14.597 -11.645 12.024) 22.209 0.981 ( 14.170 -11.302 14.982) 23.516 1.197 ( 9.207 -6.545 2.995) 11.686 1.287 ( -2.251 2.599 5.735) 6.686 1.440 ( -0.495 -0.537 -0.610) 0.951 1.583 ( 3.403 -5.523 0.060) 6.487 1.747 ( 3.160 -0.379 0.798) 3.281 1.939 ( -2.362 0.913 4.491) 5.156 2.064 ( 2.736 -12.737 -3.102) 13.392 2.167 ( -1.766 0.327 -1.546) 2.370 2.261 ( 5.920 -3.877 -0.569) 7.099 2.542 ( 1.285 2.509 1.051) 3.009 2.866 ( 1.137 0.006 -1.310) 1.735 2.926 ( 4.755 0.287 -4.487) 6.544 3.024 ( 4.126 1.689 -1.924) 4.856 3.121 ( -0.315 -1.596 -0.618) 1.740 3.240 ( 4.898 -6.746 -6.659) 10.669 3.697 ( -3.593 2.240 9.990) 10.850 4.999 ( 0.170 -2.340 -5.836) 6.290 5.497 ( 4.963 4.874 2.242) 7.309 5.838 ( -1.516 0.941 -8.943) 9.119 6.811 ( -4.316 0.700 8.412) 9.480 7.879 ( -5.469 3.833 -7.534) 10.068 8.132 ( -1.974 4.041 4.956) 6.692 8.847 ( -6.167 -1.030 -7.177) 9.519 9.097 ( 2.306 1.563 1.781) 3.306 9.412 ( 7.944 -2.236 0.226) 8.256 9.737 ( 0.114 -2.801 3.914) 4.814 10.173 ( 0.991 -0.743 -1.972) 2.329 12.888 ( -0.525 0.176 1.240) 1.358 12.925 ( -0.430 0.210 2.286) 2.336 13.122 ( 0.193 -0.313 -1.770) 1.808 13.217 ( 1.069 -1.220 -1.001) 1.906 13.728 ( -0.234 0.096 -0.569) 0.623 13.796 ( 0.317 0.176 -0.800) 0.879 ======================= Grid point 69 (24/129) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 7.015 -8.817 10.111) 15.139 1.032 ( 5.642 -7.067 12.260) 15.234 1.201 ( -0.443 2.110 5.361) 5.778 1.359 ( 10.215 -4.342 1.231) 11.168 1.461 ( 2.977 -2.525 -0.275) 3.913 1.487 ( 7.961 -7.538 -2.460) 11.236 1.696 ( 1.159 0.314 -0.741) 1.411 1.818 ( 2.536 -9.851 0.096) 10.173 1.950 ( 0.521 -3.923 5.943) 7.140 2.124 ( -1.686 1.304 -1.282) 2.487 2.293 ( 5.580 -4.449 -4.963) 8.692 2.487 ( 4.799 -7.911 5.638) 10.836 2.612 ( 12.744 -10.567 -4.564) 17.173 2.884 ( 0.909 0.189 0.217) 0.953 2.963 ( -0.891 -1.558 0.298) 1.819 3.063 ( 6.149 3.431 -1.468) 7.193 3.136 ( 0.618 -1.002 0.107) 1.182 3.306 ( -0.691 -2.272 -4.669) 5.239 3.673 ( -0.723 -0.183 9.481) 9.511 5.028 ( 0.374 -3.202 -6.140) 6.935 5.486 ( 1.651 5.587 3.275) 6.684 5.786 ( -0.226 0.907 -9.080) 9.128 6.702 ( -7.702 4.432 9.782) 13.215 7.722 ( -4.465 4.216 -8.171) 10.222 8.052 ( -1.578 5.510 3.758) 6.854 8.775 ( -4.743 -3.406 -7.255) 9.312 9.098 ( 1.887 3.475 2.956) 4.938 9.554 ( 6.847 -1.402 0.564) 7.012 9.794 ( -0.087 -3.525 3.241) 4.789 10.207 ( 2.092 -1.505 -2.425) 3.539 12.883 ( -0.328 0.019 1.633) 1.666 12.922 ( -0.510 0.049 1.786) 1.858 13.125 ( 0.109 -0.429 -1.762) 1.816 13.253 ( 1.420 -1.476 -1.360) 2.459 13.722 ( -0.137 0.014 -0.526) 0.543 13.795 ( 0.237 0.343 -0.622) 0.749 ======================= Grid point 70 (25/129) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 3.174 -3.647 8.747) 9.994 1.142 ( 0.582 0.820 1.690) 1.967 1.203 ( -1.053 -1.979 9.035) 9.309 1.449 ( 0.605 -1.452 1.506) 2.178 1.557 ( 2.410 -3.102 0.150) 3.931 1.615 ( 2.711 1.182 -3.101) 4.285 1.710 ( 1.766 -2.240 0.743) 2.948 1.979 ( 1.682 -6.562 -2.436) 7.199 2.049 ( 0.201 1.331 1.893) 2.323 2.117 ( 3.251 -6.166 1.414) 7.113 2.369 ( 0.971 -2.887 -3.532) 4.664 2.602 ( 5.994 -0.243 1.161) 6.111 2.856 ( -4.619 1.945 5.402) 7.369 2.933 ( 3.255 -0.745 -1.369) 3.609 3.005 ( 3.150 -4.726 -2.910) 6.381 3.125 ( 5.227 -1.301 -0.484) 5.408 3.174 ( 1.536 -1.551 -0.153) 2.188 3.364 ( 6.298 -7.772 -4.143) 10.827 3.722 ( 1.556 -2.287 8.309) 8.757 5.035 ( -1.426 0.495 -5.756) 5.951 5.417 ( -1.111 4.625 1.766) 5.074 5.770 ( 1.306 -0.470 -7.023) 7.158 6.539 ( -7.180 5.342 9.849) 13.307 7.613 ( -1.374 1.413 -8.337) 8.567 7.968 ( -1.185 4.660 4.073) 6.301 8.755 ( -3.361 -5.255 -7.095) 9.448 9.083 ( 1.660 3.888 3.875) 5.735 9.648 ( 4.514 0.845 0.125) 4.594 9.838 ( -1.090 -3.001 3.128) 4.470 10.255 ( 2.141 -1.402 -2.445) 3.539 12.885 ( -0.209 -0.147 1.904) 1.921 12.916 ( -0.527 0.266 1.257) 1.388 13.127 ( 0.156 -0.237 -1.911) 1.932 13.286 ( 1.121 -0.803 -1.671) 2.167 13.722 ( -0.013 -0.231 -0.243) 0.336 13.792 ( 0.184 0.406 -0.572) 0.725 ======================= Grid point 71 (26/129) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -3.708 1.053 3.725) 5.361 1.113 ( -0.692 3.123 5.522) 6.382 1.228 ( -2.843 -2.832 6.170) 7.360 1.455 ( -0.503 0.778 0.307) 0.976 1.577 ( -1.521 0.319 -1.416) 2.103 1.650 ( 2.451 -1.380 -0.482) 2.853 1.753 ( -0.171 -1.000 2.329) 2.540 1.965 ( -1.131 1.829 -3.089) 3.763 2.090 ( 0.535 -0.613 1.490) 1.697 2.200 ( -0.681 0.522 0.280) 0.903 2.396 ( -1.247 -2.351 -3.164) 4.134 2.651 ( 0.400 2.683 -2.023) 3.384 2.775 ( -1.127 1.663 6.307) 6.619 2.948 ( 0.448 0.780 -2.084) 2.270 3.037 ( 0.042 -1.787 -0.258) 1.806 3.180 ( 1.226 1.480 -0.740) 2.059 3.200 ( 1.964 -0.458 0.965) 2.236 3.553 ( 2.463 -4.124 -2.517) 5.423 3.787 ( -1.351 1.634 6.467) 6.806 4.955 ( -0.709 2.112 -5.846) 6.257 5.372 ( -0.710 1.090 0.175) 1.313 5.803 ( 1.955 -3.149 -5.282) 6.453 6.424 ( -2.609 3.098 8.431) 9.354 7.609 ( 2.237 -2.766 -7.201) 8.031 7.926 ( 0.170 1.784 4.554) 4.894 8.775 ( -2.243 -6.572 -6.659) 9.621 9.066 ( 1.558 3.662 4.292) 5.853 9.660 ( 1.180 3.771 -0.652) 4.004 9.857 ( -1.936 -2.133 2.978) 4.143 10.287 ( 1.006 -0.377 -1.932) 2.211 12.889 ( -0.305 -0.170 2.155) 2.183 12.907 ( -0.222 0.509 0.806) 0.978 13.125 ( 0.173 0.233 -2.133) 2.152 13.298 ( 0.482 0.218 -1.827) 1.902 13.727 ( 0.087 -0.431 0.118) 0.456 13.788 ( 0.194 0.329 -0.679) 0.779 ======================= Grid point 72 (27/129) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -8.830 3.254 4.155) 10.287 1.037 ( -4.400 5.579 6.324) 9.512 1.226 ( -3.639 -1.811 5.068) 6.497 1.425 ( -0.639 1.925 -0.735) 2.157 1.512 ( -4.501 2.240 -1.753) 5.325 1.693 ( 0.843 -1.285 0.596) 1.648 1.751 ( -1.181 0.439 1.848) 2.237 1.921 ( -1.162 1.918 -3.383) 4.059 2.061 ( -6.601 8.931 1.122) 11.162 2.072 ( -0.516 3.263 0.313) 3.318 2.367 ( -3.249 0.466 -3.852) 5.061 2.566 ( -5.462 1.029 1.247) 5.697 2.801 ( 3.559 1.106 0.924) 3.840 2.940 ( 0.373 0.225 -1.124) 1.205 3.050 ( -2.829 -2.103 -1.193) 3.722 3.130 ( -2.046 5.733 -0.088) 6.088 3.240 ( 2.367 2.528 0.551) 3.507 3.508 ( -8.211 9.893 -1.647) 12.962 3.619 ( -5.484 3.216 9.628) 11.537 4.983 ( 4.207 -1.733 -8.031) 9.230 5.348 ( -1.444 -0.160 -0.731) 1.626 5.876 ( 1.356 -4.818 -3.987) 6.400 6.438 ( 4.077 -0.791 6.798) 7.966 7.704 ( 4.404 -5.379 -5.309) 8.748 7.953 ( 1.552 -2.086 4.473) 5.173 8.827 ( -1.252 -7.536 -5.809) 9.597 9.058 ( 1.952 2.962 4.295) 5.570 9.580 ( -2.334 6.272 -1.484) 6.855 9.851 ( -2.307 -0.658 2.618) 3.552 10.282 ( -0.671 0.897 -1.356) 1.759 12.891 ( -0.442 -0.166 2.345) 2.392 12.900 ( 0.124 0.682 0.548) 0.884 13.117 ( 0.380 0.529 -2.171) 2.267 13.285 ( -0.210 1.184 -1.818) 2.180 13.735 ( 0.015 -0.464 0.322) 0.565 13.786 ( 0.260 0.157 -0.880) 0.931 ======================= Grid point 73 (28/129) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -13.189 4.620 8.642) 16.431 0.847 ( -9.252 9.857 8.641) 16.045 1.187 ( -4.243 0.419 3.715) 5.655 1.326 ( -9.155 3.907 -0.055) 9.954 1.431 ( 0.403 1.783 -1.392) 2.298 1.675 ( -3.201 5.971 0.729) 6.814 1.680 ( -11.430 8.369 3.332) 14.553 1.779 ( -2.362 3.517 1.954) 4.666 1.884 ( -0.047 0.802 -1.055) 1.326 2.081 ( 2.903 1.378 -1.966) 3.767 2.271 ( -3.099 4.449 -4.352) 6.952 2.483 ( -7.255 -1.854 2.473) 7.886 2.790 ( -11.727 16.931 2.645) 20.765 2.847 ( 0.963 2.648 -0.855) 2.944 2.943 ( 0.874 2.320 -2.725) 3.684 3.018 ( -5.545 -2.038 -0.869) 5.972 3.160 ( -2.228 2.646 -1.167) 3.651 3.362 ( 1.731 5.356 -3.113) 6.432 3.605 ( -0.534 -1.644 8.319) 8.496 5.018 ( 2.651 1.334 -7.321) 7.900 5.324 ( -2.556 -0.837 -1.226) 2.956 5.933 ( -0.515 -3.697 -3.949) 5.434 6.585 ( 8.431 -2.700 5.931) 10.656 7.844 ( 5.106 -6.020 -4.381) 9.027 8.041 ( 1.430 -5.122 4.553) 7.001 8.908 ( -0.304 -7.852 -4.306) 8.960 9.072 ( 2.671 1.632 3.692) 4.840 9.423 ( -4.374 7.778 -2.808) 9.355 9.818 ( -2.535 1.247 2.652) 3.875 10.240 ( -1.892 1.499 -1.226) 2.707 12.891 ( -0.472 0.029 1.647) 1.713 12.898 ( 0.365 0.366 1.405) 1.497 13.114 ( 0.748 0.439 -1.962) 2.146 13.253 ( -0.683 1.756 -1.630) 2.491 13.740 ( -0.206 -0.366 0.251) 0.489 13.787 ( 0.344 -0.012 -1.062) 1.116 ======================= Grid point 74 (29/129) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -14.645 2.352 15.438) 21.409 0.578 ( -9.988 8.986 16.184) 21.034 1.004 ( -13.889 15.694 9.793) 23.132 1.130 ( -9.204 6.569 -0.685) 11.328 1.309 ( -5.360 1.199 14.085) 15.118 1.451 ( 0.822 1.672 0.216) 1.875 1.564 ( -1.879 4.755 -0.389) 5.128 1.773 ( -4.866 -2.368 1.182) 5.539 1.903 ( 1.873 -1.192 0.972) 2.424 2.077 ( 1.220 3.740 -3.806) 5.474 2.125 ( -0.229 9.618 -0.938) 9.666 2.357 ( -9.207 1.316 -0.584) 9.319 2.527 ( -1.252 1.660 1.301) 2.453 2.856 ( -0.132 -0.005 -3.381) 3.383 2.894 ( -3.771 0.731 -4.839) 6.178 2.974 ( -1.857 -1.145 -1.626) 2.721 3.121 ( 0.110 0.851 -1.138) 1.425 3.240 ( -2.027 11.763 -7.332) 14.009 3.678 ( 2.279 -3.071 8.857) 9.647 5.007 ( 1.684 2.136 -6.345) 6.904 5.299 ( 0.106 0.033 2.163) 2.166 5.936 ( -2.055 -1.631 -5.101) 5.736 6.743 ( 6.637 0.204 5.731) 8.771 7.976 ( 3.159 -4.618 -6.441) 8.532 8.154 ( 1.170 -7.119 6.311) 9.585 8.990 ( -0.923 -5.815 -3.593) 6.897 9.102 ( 0.309 0.513 2.290) 2.367 9.257 ( -0.886 6.661 -3.788) 7.714 9.757 ( -2.704 2.499 3.231) 4.899 10.189 ( -1.703 1.000 -1.586) 2.533 12.890 ( 0.030 0.000 1.009) 1.010 12.908 ( 0.437 -0.277 2.615) 2.665 13.117 ( 0.787 0.248 -1.759) 1.943 13.216 ( -0.541 1.396 -1.299) 1.983 13.739 ( -0.373 -0.185 -0.038) 0.418 13.791 ( 0.399 -0.079 -1.109) 1.182 ======================= Grid point 76 (30/129) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 20.335 0.000 7.129) 21.548 0.899 ( 11.427 0.000 14.905) 18.781 1.250 ( 21.785 0.000 3.569) 22.076 1.267 ( -2.144 -0.000 5.077) 5.511 1.335 ( 10.103 0.000 1.982) 10.296 1.438 ( 2.363 0.000 0.504) 2.416 1.617 ( 7.069 0.000 0.100) 7.070 1.882 ( 1.844 0.000 2.483) 3.093 1.911 ( -0.258 -0.000 -3.931) 3.939 2.022 ( 13.817 0.000 4.519) 14.537 2.142 ( -0.731 -0.000 -0.335) 0.804 2.315 ( 3.918 0.000 -3.209) 5.065 2.599 ( 3.614 0.000 3.316) 4.905 2.891 ( 2.443 0.000 -0.839) 2.583 2.928 ( -0.379 -0.000 -3.935) 3.954 3.104 ( 1.992 0.000 -1.623) 2.569 3.125 ( 3.612 0.000 -0.767) 3.693 3.276 ( 4.274 0.000 -4.523) 6.223 3.678 ( -3.553 -0.000 11.156) 11.708 4.969 ( 0.229 0.000 -5.233) 5.238 5.582 ( 1.675 0.000 2.445) 2.964 5.800 ( -0.886 -0.000 -10.876) 10.912 6.754 ( -7.326 -0.000 10.721) 12.985 7.788 ( -6.692 -0.000 -7.892) 10.347 8.132 ( -3.132 -0.000 3.786) 4.913 8.710 ( -6.606 -0.000 -7.676) 10.128 9.169 ( 3.454 0.000 0.913) 3.572 9.526 ( 7.847 0.000 1.631) 8.015 9.739 ( 1.382 0.000 3.545) 3.805 10.185 ( 1.998 0.000 -2.168) 2.948 12.885 ( -0.417 -0.000 1.489) 1.546 12.924 ( -0.450 -0.000 2.106) 2.153 13.118 ( 0.119 0.000 -1.788) 1.792 13.232 ( 2.099 0.000 -0.958) 2.308 13.723 ( -0.222 -0.000 -0.741) 0.774 13.800 ( 0.223 0.000 -0.562) 0.604 ======================= Grid point 77 (31/129) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 9.861 0.400 8.303) 12.898 1.113 ( 13.794 1.233 5.220) 14.800 1.257 ( 1.858 2.276 6.471) 7.107 1.405 ( 1.715 -0.732 0.598) 1.958 1.499 ( 5.454 -1.057 -1.591) 5.779 1.590 ( 11.296 -3.414 0.799) 11.828 1.787 ( 5.496 -4.007 -2.118) 7.124 1.825 ( 6.250 8.930 -2.520) 11.187 1.959 ( 6.738 -3.082 4.182) 8.508 2.112 ( -0.853 1.677 0.097) 1.884 2.328 ( 3.341 -0.438 -6.035) 6.912 2.496 ( 17.272 -15.120 3.856) 23.276 2.689 ( 8.307 -0.810 0.786) 8.384 2.899 ( -1.286 0.960 1.675) 2.320 2.942 ( 1.703 -1.315 -0.298) 2.173 3.142 ( 2.935 -0.607 -0.901) 3.130 3.178 ( 4.033 0.050 -0.747) 4.102 3.282 ( -0.801 1.244 -2.228) 2.674 3.674 ( -0.984 -0.991 9.792) 9.891 4.983 ( 1.121 -2.266 -5.263) 5.839 5.569 ( -0.806 4.544 2.263) 5.140 5.763 ( -0.171 -0.483 -10.358) 10.371 6.637 ( -9.739 1.845 11.497) 15.180 7.655 ( -5.965 1.213 -8.620) 10.552 8.061 ( -5.261 1.882 4.018) 6.883 8.622 ( -5.045 -3.162 -7.866) 9.865 9.199 ( 3.089 3.134 1.344) 4.601 9.638 ( 4.650 -0.949 3.761) 6.055 9.787 ( 2.776 -0.788 1.156) 3.109 10.221 ( 2.589 -0.826 -2.287) 3.552 12.884 ( -0.173 0.024 1.796) 1.804 12.924 ( -0.115 0.204 1.684) 1.700 13.118 ( 0.284 -0.293 -1.805) 1.850 13.269 ( 2.514 -0.366 -1.240) 2.827 13.718 ( -0.171 -0.045 -0.679) 0.702 13.800 ( 0.050 0.171 -0.351) 0.394 ======================= Grid point 78 (32/129) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -1.474 -1.034 2.714) 3.257 1.225 ( 3.808 4.589 3.277) 6.804 1.322 ( 12.748 8.833 5.915) 16.598 1.453 ( 2.183 -0.714 2.233) 3.203 1.561 ( 2.766 -0.933 -0.276) 2.933 1.698 ( 3.174 3.058 0.199) 4.412 1.761 ( 2.839 4.450 -0.269) 5.285 1.959 ( 5.042 -3.878 -2.636) 6.886 2.074 ( 0.951 1.606 1.005) 2.119 2.166 ( 10.312 -2.161 0.446) 10.545 2.343 ( 0.139 -1.277 -5.660) 5.804 2.731 ( 6.898 3.223 1.738) 7.810 2.843 ( -2.107 2.217 6.601) 7.275 2.962 ( 5.271 -6.000 -3.107) 8.569 2.977 ( 1.413 0.126 0.774) 1.616 3.192 ( 2.390 -0.047 0.251) 2.404 3.224 ( 4.317 2.297 0.112) 4.891 3.331 ( 5.864 -9.303 -3.862) 11.655 3.732 ( 2.216 -2.883 8.473) 9.220 5.009 ( 0.121 -0.349 -4.948) 4.961 5.454 ( -3.464 5.855 0.595) 6.829 5.758 ( 0.589 -1.266 -7.668) 7.795 6.492 ( -8.699 1.933 11.131) 14.259 7.555 ( -3.351 -1.043 -8.700) 9.382 7.965 ( -5.723 0.885 4.986) 7.642 8.596 ( -3.524 -5.458 -7.798) 10.149 9.194 ( 2.795 4.580 2.046) 5.742 9.702 ( 0.689 -0.623 4.429) 4.526 9.836 ( 3.137 0.640 -0.325) 3.218 10.266 ( 2.134 -0.984 -2.095) 3.148 12.887 ( -0.067 0.027 2.053) 2.054 12.923 ( 0.276 0.574 1.191) 1.351 13.123 ( 0.451 -0.262 -1.937) 2.006 13.303 ( 2.112 0.170 -1.571) 2.638 13.717 ( 0.039 -0.237 -0.391) 0.458 13.796 ( -0.092 0.235 -0.298) 0.391 ======================= Grid point 79 (33/129) ======================= q-point: (-0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -2.918 1.820 -0.048) 3.439 1.202 ( -0.529 2.394 4.481) 5.108 1.347 ( 9.780 15.244 3.867) 18.520 1.474 ( 0.985 1.851 0.633) 2.191 1.591 ( 1.862 2.920 -0.620) 3.518 1.708 ( 4.386 2.433 0.387) 5.030 1.756 ( 0.420 1.133 2.138) 2.456 1.967 ( -0.729 1.471 -3.039) 3.453 2.140 ( 5.278 1.354 0.951) 5.532 2.267 ( 4.157 4.454 -0.505) 6.113 2.335 ( -2.110 -1.356 -5.169) 5.746 2.690 ( -2.896 6.040 2.401) 7.115 2.846 ( 3.541 2.362 3.861) 5.747 2.958 ( -0.992 1.998 -1.341) 2.602 3.003 ( -0.147 -1.256 0.496) 1.358 3.210 ( 0.802 1.374 0.209) 1.605 3.290 ( 6.252 1.193 0.775) 6.412 3.505 ( 0.933 -5.521 -2.385) 6.086 3.807 ( -1.337 2.661 6.862) 7.480 4.963 ( 0.331 1.866 -5.584) 5.897 5.371 ( -1.516 1.409 0.286) 2.089 5.773 ( 0.790 -2.478 -6.616) 7.109 6.409 ( -4.119 -1.075 9.671) 10.566 7.549 ( -0.220 -5.178 -7.791) 9.357 7.905 ( -4.536 -1.817 5.850) 7.622 8.618 ( -2.169 -6.935 -7.418) 10.384 9.178 ( 2.798 4.788 2.627) 6.136 9.691 ( -2.676 1.638 3.051) 4.376 9.862 ( 2.504 1.729 -0.019) 3.043 10.292 ( 0.744 -0.137 -1.666) 1.830 12.890 ( -0.200 0.101 2.247) 2.258 12.923 ( 0.629 0.899 0.800) 1.358 13.126 ( 0.494 0.101 -2.105) 2.164 13.317 ( 1.347 1.063 -1.822) 2.502 13.723 ( 0.165 -0.355 -0.046) 0.394 13.790 ( -0.124 0.158 -0.432) 0.476 ======================= Grid point 80 (34/129) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -2.827 6.550 0.145) 7.136 1.178 ( -1.789 0.690 4.755) 5.127 1.233 ( 4.118 18.441 3.232) 19.170 1.447 ( -0.252 3.183 -0.777) 3.286 1.535 ( 0.251 6.488 -0.348) 6.503 1.744 ( 1.982 1.424 1.713) 2.982 1.750 ( 2.673 3.316 1.546) 4.531 1.938 ( 0.688 1.477 -4.652) 4.930 2.155 ( -1.647 13.613 0.519) 13.722 2.163 ( 3.809 5.577 0.811) 6.803 2.297 ( -3.084 -1.592 -4.710) 5.851 2.552 ( -4.341 6.572 2.180) 8.172 2.856 ( 0.833 1.354 0.511) 1.670 2.929 ( -2.404 -0.574 -1.448) 2.865 3.023 ( 2.311 0.939 1.947) 3.164 3.178 ( -0.564 3.971 -0.263) 4.020 3.339 ( 1.173 6.450 -0.750) 6.599 3.501 ( -5.022 4.926 -1.566) 7.207 3.597 ( -8.048 5.580 11.203) 14.880 5.004 ( 4.974 -1.903 -8.186) 9.766 5.332 ( -1.698 1.229 0.672) 2.201 5.817 ( 0.594 -4.238 -5.702) 7.129 6.462 ( 2.086 -5.633 7.952) 9.966 7.637 ( 1.548 -8.406 -6.644) 10.826 7.909 ( -2.871 -4.723 6.077) 8.214 8.678 ( -0.794 -7.951 -6.496) 10.297 9.168 ( 3.141 4.271 2.962) 6.073 9.596 ( -4.760 4.512 1.063) 6.644 9.866 ( 1.582 2.507 0.753) 3.059 10.280 ( -0.900 1.172 -1.350) 2.002 12.890 ( -0.413 0.119 2.367) 2.405 12.921 ( 0.684 1.092 0.617) 1.429 13.126 ( 0.631 0.369 -2.084) 2.209 13.306 ( 0.603 1.966 -1.926) 2.817 13.729 ( -0.000 -0.330 0.133) 0.356 13.787 ( -0.029 -0.016 -0.672) 0.672 ======================= Grid point 81 (35/129) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -1.334 12.202 4.345) 13.021 1.003 ( -0.109 20.133 3.546) 20.444 1.156 ( -1.247 0.381 4.665) 4.844 1.350 ( -0.661 9.787 -0.039) 9.809 1.470 ( 0.249 3.119 -0.563) 3.179 1.690 ( -4.655 9.880 4.070) 11.655 1.731 ( 0.916 7.165 0.520) 7.242 1.883 ( -0.324 7.688 -1.887) 7.923 1.937 ( 1.853 8.811 1.445) 9.119 2.153 ( 1.860 2.965 -0.892) 3.612 2.281 ( 2.302 0.465 -5.443) 5.928 2.406 ( -4.947 4.836 1.460) 7.070 2.809 ( -9.709 10.970 1.272) 14.704 2.861 ( -1.549 0.671 -0.709) 1.831 2.946 ( -7.019 10.444 2.232) 12.780 3.043 ( 2.213 2.607 0.823) 3.517 3.166 ( -1.260 2.514 -0.601) 2.876 3.430 ( 0.294 3.268 -3.629) 4.892 3.595 ( 0.403 -2.510 7.586) 8.001 5.053 ( 2.979 0.939 -8.340) 8.906 5.303 ( -0.496 0.386 2.268) 2.353 5.858 ( -0.728 -3.785 -5.710) 6.890 6.637 ( 4.802 -7.669 6.691) 11.254 7.769 ( 1.474 -9.603 -6.689) 11.795 7.968 ( -1.838 -6.586 6.055) 9.133 8.772 ( 0.278 -8.398 -4.846) 9.699 9.170 ( 2.414 3.447 2.802) 5.056 9.450 ( -3.623 6.378 -1.017) 7.405 9.842 ( 0.216 3.630 1.676) 4.004 10.233 ( -1.512 1.965 -1.464) 2.879 12.888 ( -0.510 0.003 2.231) 2.289 12.918 ( 0.526 0.927 0.919) 1.407 13.126 ( 0.745 0.381 -1.876) 2.054 13.275 ( 0.088 2.590 -1.795) 3.153 13.732 ( -0.234 -0.277 0.041) 0.365 13.787 ( 0.145 -0.188 -0.879) 0.910 ======================= Grid point 82 (36/129) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 1.967 12.971 13.131) 18.562 0.765 ( 6.564 21.018 4.624) 22.499 1.135 ( -2.095 10.062 3.421) 10.832 1.204 ( 1.185 8.245 1.481) 8.461 1.319 ( -4.488 15.851 13.465) 21.277 1.461 ( -1.263 1.374 0.783) 2.023 1.644 ( 0.845 7.533 -0.117) 7.582 1.801 ( 0.732 7.769 0.861) 7.851 1.923 ( 1.219 0.219 2.974) 3.222 2.142 ( 2.034 1.283 -3.571) 4.306 2.261 ( -5.491 6.836 -1.416) 8.882 2.280 ( 4.855 8.506 -2.113) 10.020 2.517 ( -3.490 2.388 2.268) 4.798 2.848 ( 0.860 0.301 -0.874) 1.263 2.867 ( 1.154 1.708 -1.248) 2.409 3.023 ( 0.503 2.536 -1.233) 2.865 3.140 ( 0.284 1.228 -0.356) 1.310 3.342 ( -0.185 7.352 -7.726) 10.667 3.663 ( -0.453 -3.542 8.225) 8.967 5.040 ( 1.328 2.319 -7.392) 7.860 5.346 ( 4.382 -2.111 4.520) 6.640 5.863 ( -1.710 -2.287 -6.909) 7.476 6.792 ( 0.765 -4.787 5.994) 7.709 7.876 ( -1.682 -7.898 -7.713) 11.167 8.058 ( -1.090 -7.351 6.174) 9.662 8.869 ( -0.278 -6.437 -3.992) 7.580 9.128 ( -2.824 3.508 1.392) 4.714 9.363 ( 4.144 4.927 -1.643) 6.644 9.785 ( -0.812 4.397 2.978) 5.372 10.188 ( -0.347 1.644 -1.811) 2.471 12.888 ( -0.400 -0.250 1.661) 1.726 12.919 ( 0.232 0.249 1.851) 1.882 13.127 ( 0.523 0.366 -1.745) 1.858 13.237 ( 0.180 2.391 -1.416) 2.785 13.731 ( -0.291 -0.209 -0.253) 0.438 13.791 ( 0.286 -0.255 -0.932) 1.008 ======================= Grid point 85 (37/129) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.613 -0.000 3.991) 4.038 1.340 ( 4.023 0.000 7.557) 8.561 1.347 ( 5.904 0.000 -1.288) 6.042 1.498 ( 11.293 0.000 2.959) 11.674 1.565 ( 2.891 0.000 -1.947) 3.485 1.717 ( 10.390 0.000 3.376) 10.924 1.815 ( 2.185 0.000 -1.098) 2.446 1.967 ( 2.491 0.000 -3.430) 4.239 2.114 ( 14.342 0.000 0.153) 14.343 2.174 ( 5.796 0.000 -1.869) 6.090 2.326 ( -0.686 -0.000 -4.825) 4.873 2.712 ( 23.145 0.000 0.201) 23.146 2.822 ( 7.843 0.000 3.095) 8.432 2.881 ( -2.056 -0.000 2.929) 3.579 2.965 ( 1.550 0.000 0.240) 1.569 3.186 ( 2.803 0.000 -0.936) 2.955 3.217 ( 2.401 0.000 0.342) 2.425 3.276 ( -0.645 -0.000 -0.132) 0.659 3.689 ( 1.385 0.000 9.295) 9.397 4.983 ( 2.560 0.000 -4.799) 5.439 5.589 ( -2.741 -0.000 2.813) 3.927 5.711 ( -1.502 -0.000 -11.572) 11.669 6.521 ( -10.802 -0.000 12.339) 16.400 7.544 ( -5.940 -0.000 -8.985) 10.771 7.975 ( -8.358 -0.000 4.783) 9.630 8.517 ( -3.108 -0.000 -8.233) 8.800 9.265 ( 2.494 0.000 0.439) 2.533 9.682 ( 0.517 0.000 7.471) 7.489 9.852 ( 5.407 0.000 -2.099) 5.800 10.249 ( 2.525 0.000 -2.002) 3.223 12.888 ( 0.013 0.000 2.047) 2.047 12.932 ( 0.490 0.000 1.321) 1.409 13.118 ( 0.595 0.000 -1.822) 1.917 13.306 ( 2.793 0.000 -1.470) 3.156 13.714 ( 0.004 0.000 -0.625) 0.625 13.799 ( -0.210 -0.000 -0.143) 0.254 ======================= Grid point 86 (38/129) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -3.308 -0.476 2.044) 3.917 1.331 ( 1.275 5.209 2.249) 5.815 1.438 ( 1.363 -2.316 1.728) 3.195 1.594 ( 3.575 1.271 -0.100) 3.796 1.651 ( 7.493 0.921 1.662) 7.730 1.799 ( 3.634 4.483 1.474) 5.956 1.913 ( 9.010 3.566 2.087) 9.913 1.969 ( 0.765 -0.917 -2.796) 3.040 2.225 ( 10.629 7.097 0.024) 12.781 2.301 ( 0.088 -0.070 -8.500) 8.500 2.328 ( 10.154 -0.138 -0.296) 10.159 2.828 ( -2.023 3.390 3.755) 5.448 2.916 ( 4.080 2.530 4.146) 6.343 2.969 ( 3.388 -0.684 -0.240) 3.465 3.018 ( 2.839 -0.064 -0.633) 2.909 3.229 ( 2.089 -0.894 0.495) 2.325 3.270 ( 3.728 -5.475 -1.642) 6.824 3.320 ( 5.721 -1.210 -0.690) 5.888 3.786 ( 7.110 -1.510 8.348) 11.069 5.013 ( 1.804 0.478 -4.236) 4.629 5.475 ( -4.935 6.035 0.480) 7.811 5.696 ( -1.481 -4.015 -8.634) 9.637 6.392 ( -9.541 -0.156 12.029) 15.354 7.453 ( -3.897 -1.771 -8.891) 9.868 7.860 ( -8.705 -1.119 5.665) 10.446 8.482 ( -1.356 -2.739 -8.123) 8.678 9.282 ( 1.861 2.338 0.804) 3.094 9.696 ( -1.684 -0.380 7.132) 7.338 9.915 ( 4.595 1.394 -2.385) 5.362 10.282 ( 1.838 -0.372 -1.730) 2.551 12.894 ( 0.056 0.107 2.243) 2.247 12.943 ( 0.908 0.467 0.875) 1.344 13.125 ( 0.741 -0.112 -1.912) 2.053 13.338 ( 2.172 0.410 -1.822) 2.864 13.717 ( 0.371 -0.112 -0.380) 0.543 13.794 ( -0.390 0.068 -0.122) 0.414 ======================= Grid point 87 (39/129) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -3.723 -0.505 1.426) 4.018 1.275 ( 0.569 5.316 2.635) 5.961 1.468 ( 0.217 -0.593 0.063) 0.635 1.608 ( 2.429 5.621 -0.418) 6.138 1.699 ( 2.431 2.976 0.374) 3.861 1.775 ( 0.674 3.919 1.926) 4.418 1.934 ( 2.604 2.772 -1.049) 3.945 2.015 ( 10.226 8.260 0.939) 13.179 2.260 ( -3.148 -0.912 -6.011) 6.847 2.314 ( 11.444 6.720 -2.181) 13.449 2.422 ( 6.167 5.488 -0.533) 8.273 2.733 ( -3.451 5.635 3.577) 7.513 2.912 ( -0.004 2.246 1.529) 2.717 2.961 ( -2.869 3.179 -0.283) 4.291 3.031 ( 3.156 -0.134 3.140) 4.454 3.239 ( 0.313 1.282 0.773) 1.530 3.388 ( 4.718 -0.749 -0.628) 4.818 3.437 ( 1.854 -4.941 -1.649) 5.529 3.885 ( 1.549 7.161 6.973) 10.115 4.991 ( 1.867 1.803 -4.995) 5.629 5.367 ( -2.321 1.654 0.504) 2.894 5.712 ( -0.500 -4.102 -8.312) 9.283 6.325 ( -5.891 -3.777 11.078) 13.103 7.440 ( -1.116 -5.398 -8.138) 9.830 7.788 ( -6.899 -3.835 6.227) 10.054 8.503 ( 0.133 -4.682 -7.451) 8.801 9.274 ( 1.800 3.133 1.640) 3.968 9.668 ( -3.605 1.222 5.122) 6.381 9.942 ( 3.398 2.632 -1.549) 4.569 10.299 ( 0.558 0.256 -1.538) 1.656 12.897 ( -0.109 0.311 2.380) 2.402 12.950 ( 0.924 0.904 0.533) 1.399 13.131 ( 0.678 0.045 -2.030) 2.140 13.349 ( 1.329 1.097 -2.131) 2.740 13.724 ( 0.443 -0.059 -0.095) 0.456 13.786 ( -0.389 -0.004 -0.296) 0.489 ======================= Grid point 88 (40/129) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -1.841 0.713 1.529) 2.497 1.220 ( -0.025 5.237 3.817) 6.480 1.465 ( 0.415 2.624 -1.358) 2.984 1.498 ( 0.211 11.110 0.300) 11.116 1.650 ( 0.418 7.206 -1.267) 7.328 1.749 ( -0.483 1.188 3.109) 3.363 1.941 ( 1.749 0.190 -3.208) 3.658 2.048 ( 11.193 12.205 -1.374) 16.617 2.190 ( -4.733 0.479 -1.732) 5.062 2.352 ( 5.363 10.667 -0.448) 11.947 2.370 ( 6.385 10.022 -2.207) 12.086 2.597 ( -3.382 7.277 2.127) 8.301 2.882 ( -0.060 2.223 -0.464) 2.272 2.896 ( -1.465 0.981 -0.003) 1.763 3.071 ( -0.008 -0.158 4.802) 4.805 3.217 ( 0.140 2.387 0.268) 2.406 3.409 ( -1.918 4.959 -3.791) 6.530 3.495 ( 0.554 0.018 -0.644) 0.849 3.629 ( -8.468 15.333 12.077) 21.276 5.050 ( 6.258 -1.042 -7.366) 9.721 5.320 ( -2.524 0.576 1.246) 2.873 5.750 ( 0.611 -4.091 -7.740) 8.776 6.389 ( -1.127 -9.425 9.569) 13.479 7.514 ( 0.542 -8.418 -7.330) 11.175 7.788 ( -4.334 -6.388 6.034) 9.798 8.572 ( 1.574 -6.091 -6.087) 8.754 9.264 ( 1.662 3.179 2.296) 4.259 9.583 ( -4.177 3.491 2.565) 6.018 9.942 ( 2.256 3.463 -0.317) 4.145 10.282 ( -0.612 1.446 -1.540) 2.199 12.895 ( -0.339 0.446 2.440) 2.503 12.948 ( 0.513 1.146 0.428) 1.327 13.134 ( 0.612 0.176 -1.997) 2.096 13.338 ( 0.643 1.862 -2.302) 3.030 13.729 ( 0.134 0.076 0.066) 0.168 13.782 ( -0.205 -0.176 -0.564) 0.625 ======================= Grid point 89 (41/129) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 2.022 4.937 3.439) 6.348 1.140 ( -1.889 5.585 4.552) 7.449 1.325 ( 3.510 14.709 1.362) 15.183 1.446 ( 0.004 3.055 -1.280) 3.313 1.537 ( -0.152 8.188 -0.968) 8.247 1.722 ( -1.950 2.514 1.931) 3.722 1.896 ( -3.095 8.829 -5.368) 10.786 2.007 ( 4.091 6.014 0.298) 7.279 2.112 ( 1.471 8.898 4.202) 9.949 2.205 ( 0.024 10.897 0.393) 10.904 2.398 ( 7.543 3.968 -4.699) 9.732 2.461 ( -0.249 8.233 -0.114) 8.238 2.843 ( -1.878 4.669 -0.332) 5.043 2.875 ( 2.389 2.904 -0.475) 3.790 3.004 ( -8.948 12.399 7.219) 16.909 3.087 ( -2.276 7.590 0.376) 7.933 3.188 ( -0.151 2.281 0.069) 2.287 3.449 ( -1.080 2.109 -2.993) 3.817 3.595 ( 1.082 -1.463 7.225) 7.451 5.101 ( 3.202 1.864 -7.952) 8.773 5.304 ( -0.185 -1.374 3.117) 3.411 5.787 ( 0.096 -3.065 -7.242) 7.864 6.558 ( -0.232 -11.542 8.137) 14.124 7.627 ( 0.312 -9.414 -7.369) 11.959 7.853 ( -1.904 -7.763 5.217) 9.545 8.681 ( 2.792 -6.788 -4.224) 8.468 9.231 ( -1.603 3.843 2.154) 4.687 9.490 ( -0.371 4.085 0.412) 4.123 9.912 ( 0.645 4.493 1.115) 4.674 10.242 ( -0.412 2.134 -1.886) 2.878 12.889 ( -0.431 0.360 2.285) 2.352 12.938 ( -0.019 0.990 0.734) 1.233 13.135 ( 0.482 0.210 -1.828) 1.902 13.308 ( 0.205 2.513 -2.204) 3.349 13.728 ( -0.110 0.062 0.002) 0.126 13.782 ( 0.058 -0.349 -0.772) 0.849 ======================= Grid point 90 (42/129) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 4.134 11.029 8.572) 14.568 1.069 ( 2.208 6.936 2.257) 7.621 1.231 ( 0.919 7.526 7.584) 10.724 1.340 ( 1.719 11.412 -0.045) 11.541 1.468 ( 0.776 2.506 -0.485) 2.668 1.564 ( -1.705 11.430 0.162) 11.558 1.746 ( -0.819 5.412 -0.353) 5.485 1.957 ( 1.467 12.682 2.628) 13.035 2.000 ( 0.261 7.101 3.741) 8.030 2.122 ( -0.874 -0.630 -2.070) 2.333 2.337 ( 1.149 7.678 -1.544) 7.915 2.483 ( 3.400 -0.772 -1.576) 3.827 2.638 ( 8.562 20.339 0.166) 22.069 2.879 ( 1.370 2.006 -0.060) 2.430 2.925 ( 4.819 -0.085 -0.410) 4.837 3.025 ( -2.732 0.683 1.267) 3.088 3.155 ( -0.508 1.699 0.201) 1.785 3.380 ( -1.755 3.033 -5.414) 6.449 3.646 ( 0.394 -1.053 8.321) 8.396 5.076 ( 0.965 2.720 -7.217) 7.772 5.371 ( 2.690 -3.894 4.142) 6.289 5.796 ( -0.525 -1.827 -7.786) 8.015 6.687 ( -4.234 -8.500 8.157) 12.518 7.714 ( -2.040 -7.556 -7.841) 11.078 7.958 ( -0.265 -7.882 4.262) 8.964 8.799 ( 2.277 -4.913 -4.124) 6.806 9.120 ( -4.756 3.861 1.598) 6.331 9.485 ( 5.047 2.578 0.027) 5.667 9.851 ( -0.470 4.914 2.528) 5.546 10.212 ( 0.992 1.976 -2.303) 3.192 12.885 ( -0.390 0.108 1.868) 1.912 12.928 ( -0.402 0.444 1.393) 1.517 13.133 ( 0.234 0.314 -1.723) 1.767 13.272 ( 0.405 2.462 -1.808) 3.082 13.725 ( -0.131 -0.022 -0.250) 0.283 13.788 ( 0.238 -0.416 -0.797) 0.930 ======================= Grid point 94 (43/129) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -3.843 -0.000 1.878) 4.277 1.402 ( -1.847 -0.000 4.105) 4.501 1.411 ( 1.442 0.000 -1.662) 2.201 1.655 ( 3.534 0.000 1.638) 3.895 1.739 ( 3.546 0.000 1.668) 3.919 1.857 ( 0.676 0.000 -1.197) 1.374 1.946 ( -1.385 -0.000 -2.137) 2.547 2.125 ( 12.164 0.000 3.043) 12.539 2.246 ( -2.619 -0.000 -4.706) 5.386 2.472 ( 9.022 0.000 -0.171) 9.024 2.494 ( 13.495 0.000 -4.877) 14.349 2.812 ( -3.914 -0.000 4.083) 5.656 2.973 ( -0.028 -0.000 1.241) 1.241 3.023 ( -3.441 -0.000 0.169) 3.445 3.026 ( 2.763 0.000 3.655) 4.582 3.266 ( 0.520 0.000 0.497) 0.719 3.270 ( 6.332 0.000 -3.881) 7.427 3.405 ( 5.636 0.000 0.254) 5.642 3.962 ( 13.349 0.000 6.036) 14.650 5.038 ( 1.123 0.000 -3.651) 3.819 5.428 ( -8.278 -0.000 2.036) 8.525 5.611 ( 0.063 0.000 -9.888) 9.889 6.276 ( -9.042 -0.000 11.927) 14.967 7.366 ( -2.283 -0.000 -8.772) 9.064 7.731 ( -8.385 -0.000 6.046) 10.337 8.438 ( 0.612 0.000 -7.848) 7.872 9.319 ( 0.938 0.000 1.085) 1.435 9.681 ( -2.581 -0.000 6.649) 7.132 9.982 ( 3.543 0.000 -2.267) 4.206 10.300 ( 1.299 0.000 -1.605) 2.064 12.902 ( 0.047 0.000 2.382) 2.382 12.963 ( 0.999 0.000 0.459) 1.100 13.131 ( 0.756 0.000 -1.943) 2.085 13.364 ( 1.457 0.000 -2.177) 2.619 13.724 ( 0.725 0.000 -0.234) 0.762 13.786 ( -0.536 -0.000 -0.141) 0.554 ======================= Grid point 95 (44/129) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -2.305 -0.493 2.250) 3.259 1.347 ( -0.554 3.725 2.505) 4.523 1.446 ( -0.136 -2.015 -0.735) 2.149 1.694 ( 2.017 2.068 1.212) 3.132 1.758 ( 0.684 2.657 1.637) 3.195 1.838 ( 0.419 3.120 -0.636) 3.212 1.925 ( -0.797 -0.759 -2.246) 2.501 2.187 ( -3.243 0.137 -6.708) 7.453 2.270 ( 8.258 3.153 3.720) 9.590 2.570 ( 6.758 3.495 -0.076) 7.608 2.626 ( 11.654 7.673 -3.535) 14.394 2.738 ( -4.177 2.534 2.146) 5.336 2.932 ( -2.608 2.237 0.866) 3.544 2.960 ( -1.352 1.945 -0.132) 2.373 3.056 ( -1.154 -0.438 5.820) 5.949 3.263 ( 0.484 1.081 0.807) 1.434 3.373 ( 2.856 -3.749 -2.031) 5.132 3.474 ( 3.144 0.057 -0.299) 3.159 4.089 ( 5.577 11.324 4.213) 13.308 5.025 ( 1.562 -0.250 -4.618) 4.881 5.313 ( -6.429 -1.067 1.390) 6.664 5.640 ( 2.830 -3.261 -9.121) 10.092 6.202 ( -6.977 -3.531 11.586) 13.978 7.350 ( 0.349 -3.233 -8.150) 8.775 7.655 ( -5.808 -2.839 6.036) 8.845 8.456 ( 2.206 -2.259 -6.866) 7.557 9.327 ( 0.867 1.270 2.153) 2.646 9.643 ( -3.607 1.046 4.639) 5.969 10.012 ( 2.439 1.441 -1.410) 3.164 10.307 ( 0.427 0.451 -1.701) 1.811 12.906 ( -0.143 0.282 2.471) 2.491 12.973 ( 0.533 0.535 0.159) 0.771 13.136 ( 0.526 -0.004 -2.030) 2.097 13.370 ( 0.737 0.556 -2.469) 2.636 13.733 ( 0.577 0.169 -0.038) 0.602 13.778 ( -0.449 -0.069 -0.343) 0.570 ======================= Grid point 96 (45/129) ======================= q-point: (-0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.454 -0.750 2.756) 2.892 1.297 ( -0.282 4.401 2.623) 5.132 1.459 ( -0.403 -0.966 -0.923) 1.396 1.645 ( 0.513 7.726 -0.038) 7.743 1.716 ( -0.790 3.513 0.670) 3.662 1.794 ( 0.563 4.288 1.354) 4.531 1.937 ( 0.652 -1.840 -2.783) 3.399 2.094 ( -5.108 2.123 -6.476) 8.516 2.320 ( 4.567 4.817 3.547) 7.526 2.548 ( 0.916 9.788 -0.412) 9.839 2.592 ( 0.174 6.836 0.319) 6.846 2.673 ( 4.239 8.184 -1.838) 9.398 2.905 ( 0.964 0.439 -0.484) 1.165 2.918 ( 0.126 2.779 -0.436) 2.816 3.034 ( -4.538 -0.898 7.406) 8.732 3.249 ( -0.260 2.007 0.852) 2.196 3.424 ( 0.693 0.975 -2.571) 2.836 3.501 ( 0.336 -0.615 -0.129) 0.713 3.830 ( -4.232 23.144 6.975) 24.540 5.100 ( 3.681 -2.920 -7.443) 8.801 5.258 ( -3.460 -1.993 1.713) 4.344 5.711 ( 3.816 -2.292 -8.235) 9.361 6.242 ( -3.494 -9.974 10.716) 15.051 7.414 ( 2.179 -5.787 -7.390) 9.636 7.664 ( -2.488 -5.536 5.343) 8.086 8.528 ( 3.637 -4.117 -5.165) 7.541 9.320 ( 0.101 2.460 2.952) 3.844 9.574 ( -3.153 2.069 2.103) 4.318 10.011 ( 1.253 2.630 -0.178) 2.919 10.291 ( -0.142 1.358 -1.948) 2.379 12.903 ( -0.368 0.533 2.495) 2.578 12.966 ( -0.243 0.877 0.111) 0.916 13.137 ( 0.291 -0.045 -2.029) 2.050 13.359 ( 0.198 1.182 -2.631) 2.891 13.735 ( 0.138 0.402 0.126) 0.443 13.774 ( -0.176 -0.239 -0.614) 0.682 ======================= Grid point 97 (46/129) ======================= q-point: (-0.25 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 2.384 -0.826 2.752) 3.734 1.221 ( -0.988 6.306 3.747) 7.402 1.455 ( -0.263 0.416 -1.215) 1.311 1.540 ( 1.668 9.602 1.242) 9.824 1.644 ( 0.319 6.249 -1.348) 6.401 1.738 ( -2.197 4.401 2.220) 5.397 1.911 ( -5.347 5.829 -4.392) 9.048 1.988 ( -1.572 -2.721 -1.141) 3.343 2.291 ( 0.230 7.600 1.738) 7.799 2.377 ( -2.056 11.679 1.122) 11.912 2.527 ( 2.690 5.874 -1.469) 6.625 2.570 ( -2.193 8.776 0.607) 9.066 2.871 ( -0.321 2.257 0.356) 2.308 2.910 ( -1.186 -0.007 1.153) 1.654 3.012 ( -0.964 0.192 4.246) 4.358 3.205 ( -0.257 3.194 -0.375) 3.227 3.312 ( 1.331 14.356 -3.712) 14.888 3.453 ( -0.894 5.049 -1.994) 5.502 3.651 ( 2.712 3.776 8.984) 10.115 5.104 ( -3.016 -1.705 -6.682) 7.527 5.290 ( 2.303 -1.739 1.524) 3.263 5.761 ( 2.753 -0.471 -7.099) 7.629 6.387 ( -2.542 -12.542 9.143) 15.728 7.517 ( 2.360 -6.333 -7.240) 9.904 7.748 ( 0.354 -7.026 4.211) 8.198 8.647 ( 4.734 -5.337 -3.193) 7.816 9.251 ( -3.873 4.971 2.199) 6.674 9.535 ( 0.992 0.986 0.632) 1.535 9.975 ( -0.478 3.880 1.261) 4.107 10.265 ( 0.516 1.743 -2.337) 2.960 12.895 ( -0.442 0.561 2.353) 2.459 12.945 ( -0.860 0.783 0.401) 1.230 13.136 ( 0.129 -0.080 -1.924) 1.930 13.332 ( -0.166 1.764 -2.523) 3.083 13.730 ( -0.053 0.385 0.143) 0.414 13.776 ( 0.124 -0.409 -0.797) 0.905 ======================= Grid point 98 (47/129) ======================= q-point: (-0.12 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 2.324 -0.870 2.151) 3.284 1.134 ( -0.321 6.717 5.096) 8.437 1.360 ( -6.142 12.222 5.037) 14.576 1.462 ( 0.574 2.924 2.236) 3.726 1.565 ( 2.375 5.761 0.803) 6.283 1.621 ( -1.133 3.804 -2.919) 4.927 1.770 ( -2.843 4.008 0.692) 4.962 2.015 ( -0.759 -3.101 -1.153) 3.394 2.122 ( -3.136 10.861 0.781) 11.332 2.203 ( -0.345 10.440 1.661) 10.577 2.429 ( -1.148 5.421 -0.365) 5.553 2.541 ( 4.370 2.003 -0.260) 4.814 2.879 ( 3.339 1.661 -1.703) 4.099 2.893 ( -2.696 -2.630 3.136) 4.901 2.997 ( -0.126 0.700 0.939) 1.178 3.167 ( 5.209 13.119 -2.954) 14.421 3.179 ( 1.679 2.546 -0.547) 3.098 3.388 ( 2.524 5.139 -3.482) 6.701 3.693 ( 2.493 1.243 8.282) 8.738 5.066 ( -2.614 -1.686 -6.214) 6.949 5.356 ( 1.474 -2.862 2.106) 3.846 5.774 ( 1.600 0.551 -6.696) 6.907 6.508 ( -4.941 -9.543 8.900) 13.953 7.598 ( 0.845 -4.410 -7.775) 8.978 7.871 ( 1.285 -7.050 3.624) 8.031 8.778 ( 3.754 -3.711 -3.403) 6.280 9.107 ( -5.022 4.650 1.895) 7.102 9.572 ( 3.892 -0.251 0.109) 3.901 9.905 ( -1.624 4.314 2.582) 5.284 10.253 ( 1.622 1.623 -2.556) 3.435 12.888 ( -0.358 0.382 2.039) 2.106 12.925 ( -0.970 0.278 0.933) 1.374 13.133 ( 0.061 0.038 -1.864) 1.866 13.300 ( 0.085 1.712 -2.112) 2.721 13.725 ( -0.016 0.256 -0.019) 0.257 13.784 ( 0.272 -0.478 -0.781) 0.955 ======================= Grid point 103 (48/129) ======================= q-point: (-0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.388 -0.000 2.974) 2.999 1.367 ( -0.920 -0.000 3.762) 3.873 1.426 ( 0.175 -0.000 -2.687) 2.693 1.729 ( -0.158 -0.000 2.507) 2.512 1.781 ( -0.994 -0.000 0.604) 1.163 1.869 ( 1.045 -0.000 -0.251) 1.075 1.900 ( -0.351 -0.000 -2.686) 2.709 2.124 ( -3.332 -0.000 -6.418) 7.232 2.379 ( 2.394 -0.000 3.146) 3.953 2.664 ( -1.129 -0.000 1.710) 2.049 2.682 ( -1.556 -0.000 -1.114) 1.914 2.843 ( 9.165 0.000 -2.556) 9.514 2.908 ( -1.334 -0.000 0.483) 1.419 2.942 ( -2.316 -0.000 0.266) 2.331 3.037 ( -3.213 -0.000 6.066) 6.864 3.280 ( 0.364 -0.000 1.508) 1.551 3.401 ( 3.745 -0.000 0.226) 3.752 3.493 ( -0.618 -0.000 -0.677) 0.916 4.256 ( -1.294 -0.000 1.301) 1.835 4.986 ( -1.694 -0.000 -4.970) 5.250 5.225 ( -1.749 -0.000 0.904) 1.969 5.678 ( 6.759 -0.000 -8.367) 10.756 6.100 ( -6.167 -0.000 11.327) 12.897 7.333 ( 3.046 -0.000 -7.578) 8.168 7.585 ( -2.543 -0.000 5.545) 6.100 8.471 ( 3.822 -0.000 -5.555) 6.742 9.354 ( 0.792 -0.000 3.293) 3.387 9.602 ( -4.117 -0.000 2.675) 4.910 10.048 ( 1.323 -0.000 -0.586) 1.448 10.310 ( 0.056 -0.000 -1.987) 1.988 12.911 ( -0.342 -0.000 2.530) 2.553 12.979 ( -0.288 -0.000 -0.099) 0.305 13.136 ( 0.157 -0.000 -2.135) 2.140 13.374 ( 0.186 -0.000 -2.695) 2.701 13.742 ( 0.261 -0.000 0.113) 0.284 13.771 ( -0.279 -0.000 -0.553) 0.619 ======================= Grid point 105 (49/129) ======================= q-point: (-0.38 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 2.178 -0.454 3.120) 3.832 1.344 ( -0.585 3.067 2.347) 3.906 1.432 ( -0.324 -1.650 -1.519) 2.266 1.705 ( -1.276 2.032 1.055) 2.621 1.734 ( -2.515 2.294 0.843) 3.507 1.862 ( 0.522 3.218 0.552) 3.306 1.912 ( 0.986 -1.714 -2.921) 3.527 2.034 ( -5.214 2.216 -5.616) 7.978 2.373 ( -2.881 0.484 2.320) 3.730 2.561 ( -6.636 2.486 -0.403) 7.097 2.664 ( -0.034 3.205 -1.236) 3.435 2.847 ( 1.340 8.409 -0.027) 8.516 2.898 ( -3.255 0.221 2.816) 4.309 2.947 ( 0.985 0.609 -0.270) 1.189 3.009 ( 0.429 0.132 3.940) 3.965 3.272 ( -0.452 1.843 1.455) 2.391 3.422 ( -3.103 0.795 -2.185) 3.878 3.499 ( 2.005 -1.763 2.921) 3.957 4.027 ( -10.420 13.653 2.323) 17.332 4.994 ( -2.892 -4.663 -6.002) 8.132 5.264 ( 4.918 -0.701 -0.770) 5.027 5.766 ( 6.829 0.367 -7.425) 10.095 6.101 ( -2.835 -6.587 10.576) 12.778 7.396 ( 5.016 -2.348 -6.517) 8.553 7.609 ( 1.401 -2.814 4.455) 5.453 8.542 ( 5.068 -2.125 -3.536) 6.535 9.357 ( -0.492 2.396 3.766) 4.491 9.542 ( -3.368 -0.200 0.360) 3.393 10.049 ( -0.024 1.439 0.515) 1.529 10.299 ( -0.118 0.654 -2.196) 2.294 12.908 ( -0.560 0.312 2.547) 2.626 12.964 ( -1.099 0.455 -0.121) 1.196 13.131 ( -0.126 -0.180 -2.199) 2.210 13.363 ( -0.317 0.528 -2.782) 2.849 13.741 ( -0.094 0.309 0.317) 0.453 13.768 ( 0.031 -0.175 -0.809) 0.828 ======================= Grid point 106 (50/129) ======================= q-point: (-0.25 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 1.410 -0.708 2.329) 2.813 1.281 ( -1.461 4.354 2.708) 5.332 1.443 ( -0.456 -1.071 -0.875) 1.456 1.640 ( -1.132 4.513 -0.430) 4.672 1.687 ( -0.717 1.331 0.760) 1.692 1.768 ( -6.807 7.200 1.121) 9.972 1.881 ( -5.263 3.964 -1.801) 6.830 1.947 ( 1.084 -1.682 -2.700) 3.361 2.306 ( -5.970 1.155 0.805) 6.134 2.417 ( -5.940 3.469 -0.435) 6.893 2.615 ( -0.926 5.226 -1.746) 5.588 2.647 ( -5.332 10.014 3.862) 11.984 2.860 ( -1.920 0.745 2.372) 3.142 2.948 ( 1.722 2.836 -0.340) 3.335 3.014 ( -0.383 0.679 1.421) 1.621 3.234 ( -0.899 2.170 0.989) 2.548 3.324 ( -5.646 1.570 -2.396) 6.331 3.551 ( 2.562 1.320 0.422) 2.913 3.781 ( -3.728 4.662 4.767) 7.639 4.975 ( -3.263 -2.793 -5.639) 7.088 5.332 ( 3.400 0.354 -0.994) 3.560 5.821 ( 5.005 2.376 -5.974) 8.148 6.226 ( -0.413 -10.067 8.617) 13.258 7.499 ( 5.560 -2.769 -5.896) 8.564 7.713 ( 4.064 -4.146 3.218) 6.638 8.660 ( 5.765 -3.809 -1.350) 7.040 9.266 ( -4.473 6.061 1.659) 7.713 9.536 ( 0.032 -2.390 -0.064) 2.391 10.007 ( -1.806 2.948 1.702) 3.853 10.285 ( 0.459 0.712 -2.287) 2.439 12.901 ( -0.605 0.429 2.463) 2.572 12.937 ( -1.437 0.522 0.102) 1.532 13.127 ( -0.177 -0.398 -2.156) 2.200 13.337 ( -0.733 0.948 -2.618) 2.879 13.735 ( -0.085 0.410 0.415) 0.589 13.772 ( 0.300 -0.345 -0.953) 1.057 ======================= Grid point 107 (51/129) ======================= q-point: (-0.12 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -0.882 -1.583 1.411) 2.296 1.208 ( -2.109 4.684 3.874) 6.434 1.403 ( -8.212 8.861 2.902) 12.425 1.472 ( -5.040 2.680 3.140) 6.515 1.608 ( -2.007 0.752 -0.675) 2.247 1.661 ( 0.999 2.994 -1.032) 3.321 1.789 ( -2.003 2.825 2.009) 4.004 1.967 ( -0.188 -1.092 -2.448) 2.687 2.156 ( -6.513 3.886 2.085) 7.866 2.274 ( -5.165 4.186 0.156) 6.650 2.460 ( -2.449 3.297 -0.082) 4.108 2.621 ( 2.989 1.409 -3.746) 4.996 2.807 ( -5.311 -0.134 4.756) 7.130 2.936 ( 1.542 0.978 -1.628) 2.447 3.022 ( 2.411 0.695 0.675) 2.598 3.194 ( -1.549 1.385 -0.050) 2.079 3.223 ( -3.152 1.548 -1.055) 3.667 3.559 ( 3.603 3.242 -2.346) 5.385 3.763 ( -0.821 -1.468 6.582) 6.794 4.957 ( -1.728 -2.460 -5.722) 6.464 5.361 ( 0.989 -0.246 -0.230) 1.045 5.826 ( 3.135 3.646 -5.064) 6.983 6.360 ( -1.201 -7.484 7.861) 10.920 7.589 ( 4.570 -0.615 -6.393) 7.882 7.841 ( 3.729 -3.984 3.237) 6.344 8.792 ( 4.647 -2.770 -1.564) 5.631 9.103 ( -5.092 5.679 1.104) 7.707 9.589 ( 1.456 -3.430 -0.649) 3.782 9.931 ( -2.882 3.471 2.735) 5.275 10.283 ( 0.999 0.509 -2.174) 2.446 12.893 ( -0.464 0.366 2.270) 2.346 12.913 ( -1.081 0.084 0.497) 1.193 13.125 ( -0.054 -0.410 -2.116) 2.156 13.308 ( -0.513 0.735 -2.200) 2.376 13.731 ( 0.057 0.406 0.318) 0.518 13.780 ( 0.370 -0.408 -0.898) 1.054 ======================= Grid point 113 (52/129) ======================= q-point: (-0.38 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 1.648 0.000 2.672) 3.139 1.371 ( -1.235 -0.000 2.901) 3.153 1.398 ( -0.832 -0.000 -2.351) 2.494 1.692 ( -1.647 -0.000 2.585) 3.065 1.698 ( -4.155 -0.000 -0.527) 4.188 1.884 ( -1.307 -0.000 0.299) 1.341 1.918 ( 2.205 0.000 -4.328) 4.858 1.941 ( -7.766 -0.000 -3.498) 8.517 2.289 ( -7.540 -0.000 0.979) 7.604 2.458 ( -8.508 -0.000 -1.179) 8.589 2.667 ( -0.489 -0.000 -2.999) 3.038 2.834 ( -6.964 -0.000 7.257) 10.058 2.915 ( -0.733 -0.000 -0.308) 0.795 2.990 ( 4.152 0.000 -1.011) 4.273 3.024 ( -0.833 -0.000 1.951) 2.121 3.277 ( -1.453 -0.000 1.138) 1.846 3.343 ( -6.555 -0.000 -1.472) 6.718 3.532 ( 2.218 0.000 5.565) 5.991 3.830 ( -23.131 -0.000 2.101) 23.227 4.950 ( 1.250 0.000 -6.787) 6.901 5.347 ( 6.152 0.000 -2.387) 6.599 5.860 ( 6.745 0.000 -6.369) 9.277 6.064 ( 1.107 0.000 9.620) 9.684 7.459 ( 6.818 0.000 -4.657) 8.257 7.657 ( 5.863 0.000 2.894) 6.538 8.605 ( 5.873 0.000 -1.219) 5.998 9.382 ( -0.943 -0.000 4.437) 4.536 9.471 ( -4.175 -0.000 -2.507) 4.870 10.050 ( -1.552 -0.000 1.331) 2.044 10.294 ( -0.297 -0.000 -2.088) 2.109 12.907 ( -0.779 -0.000 2.512) 2.630 12.946 ( -1.574 -0.000 -0.081) 1.576 13.119 ( -0.339 -0.000 -2.339) 2.363 13.350 ( -0.919 -0.000 -2.761) 2.910 13.742 ( -0.190 -0.000 0.575) 0.605 13.767 ( 0.311 0.000 -1.046) 1.091 ======================= Grid point 114 (53/129) ======================= q-point: (-0.25 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -1.767 -0.216 1.738) 2.488 1.312 ( -2.409 3.188 2.494) 4.711 1.403 ( -1.397 -2.162 -0.848) 2.710 1.617 ( -6.470 0.043 -0.257) 6.475 1.685 ( -2.039 1.168 2.657) 3.547 1.722 ( -9.117 6.169 -0.931) 11.047 1.852 ( -3.165 0.532 -1.087) 3.389 1.958 ( 2.919 -0.154 -3.621) 4.654 2.180 ( -8.664 -1.393 0.174) 8.777 2.305 ( -10.789 -0.312 -1.313) 10.873 2.645 ( -3.148 4.987 -0.426) 5.913 2.682 ( -4.801 5.445 2.930) 7.828 2.858 ( -3.900 3.382 1.300) 5.323 2.976 ( -1.911 1.759 0.343) 2.620 3.031 ( 0.094 -0.846 -0.214) 0.878 3.224 ( -4.254 1.210 0.244) 4.430 3.256 ( -3.248 0.317 -0.038) 3.264 3.549 ( -15.907 -7.707 -2.221) 17.815 3.585 ( -1.640 -3.147 9.736) 10.362 4.951 ( 1.766 0.597 -6.488) 6.750 5.398 ( 3.141 2.332 -2.850) 4.840 5.920 ( 4.719 2.285 -4.579) 6.961 6.176 ( 4.905 -4.819 7.279) 10.014 7.567 ( 7.575 -0.767 -3.450) 8.359 7.780 ( 7.880 -0.708 1.668) 8.086 8.711 ( 6.028 -2.012 1.172) 6.462 9.289 ( -4.384 6.961 0.371) 8.235 9.467 ( -1.895 -5.444 -1.392) 5.930 10.005 ( -3.418 1.642 2.157) 4.363 10.285 ( -0.214 -0.162 -1.802) 1.822 12.900 ( -0.818 0.100 2.255) 2.401 12.920 ( -1.411 0.292 0.291) 1.470 13.111 ( -0.215 -0.399 -2.321) 2.365 13.322 ( -1.419 0.286 -2.508) 2.896 13.740 ( -0.020 0.226 0.679) 0.716 13.772 ( 0.506 -0.181 -1.159) 1.277 ======================= Grid point 115 (54/129) ======================= q-point: (-0.12 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -4.967 -2.072 1.976) 5.733 1.221 ( -7.068 5.351 2.989) 9.355 1.351 ( -13.482 5.981 5.465) 15.729 1.413 ( -2.085 -1.930 -0.059) 2.842 1.572 ( -3.546 0.237 -0.860) 3.657 1.703 ( 0.925 1.047 0.474) 1.475 1.788 ( -2.493 2.134 0.286) 3.294 1.966 ( -0.951 1.908 -3.652) 4.229 2.061 ( -6.382 -1.512 2.769) 7.119 2.143 ( -12.396 -2.961 0.015) 12.745 2.438 ( -5.805 2.682 -1.021) 6.476 2.654 ( -0.941 2.834 -3.757) 4.799 2.761 ( -2.626 0.081 3.503) 4.379 2.947 ( -0.354 0.610 -0.660) 0.966 3.051 ( -0.926 -3.848 0.334) 3.972 3.153 ( -3.370 0.960 -1.061) 3.661 3.217 ( -0.527 0.791 0.362) 1.017 3.498 ( -10.439 -12.356 -1.460) 16.241 3.618 ( -2.906 -2.938 8.842) 9.760 4.962 ( 3.135 0.775 -6.898) 7.617 5.381 ( 0.264 2.368 -2.189) 3.235 5.919 ( 2.672 4.299 -3.607) 6.215 6.332 ( 5.075 -3.328 6.308) 8.754 7.672 ( 6.911 1.204 -3.857) 8.006 7.899 ( 6.083 0.288 2.242) 6.490 8.834 ( 5.042 -1.985 1.171) 5.543 9.113 ( -4.771 7.001 -0.635) 8.496 9.521 ( -1.210 -6.313 -1.870) 6.694 9.922 ( -4.350 2.211 2.800) 5.626 10.282 ( -0.291 -0.618 -1.510) 1.657 12.893 ( -0.568 -0.035 1.870) 1.955 12.901 ( -0.772 0.169 0.843) 1.156 13.112 ( 0.077 -0.608 -2.234) 2.317 13.293 ( -1.195 -0.127 -2.095) 2.415 13.738 ( 0.086 0.377 0.554) 0.675 13.780 ( 0.487 -0.243 -1.083) 1.212 ======================= Grid point 122 (55/129) ======================= q-point: (-0.25 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -7.681 -0.000 2.258) 8.006 1.288 ( -4.169 -0.000 3.580) 5.495 1.374 ( 0.178 0.000 -1.256) 1.269 1.441 ( -16.670 -0.000 1.698) 16.756 1.619 ( -8.636 -0.000 -1.016) 8.695 1.691 ( -1.759 -0.000 2.472) 3.034 1.807 ( -1.021 -0.000 -1.669) 1.957 1.999 ( 3.288 0.000 -4.280) 5.397 2.057 ( -5.866 -0.000 -0.811) 5.922 2.090 ( -16.079 -0.000 -0.432) 16.085 2.643 ( -7.337 -0.000 6.719) 9.949 2.685 ( 1.707 0.000 -5.329) 5.596 2.805 ( -8.683 -0.000 1.489) 8.809 2.806 ( -22.885 -0.000 3.412) 23.138 2.965 ( -1.275 -0.000 0.787) 1.498 3.210 ( 1.105 0.000 -1.409) 1.790 3.211 ( -2.573 -0.000 0.067) 2.574 3.245 ( -8.079 -0.000 -0.803) 8.119 3.595 ( -0.053 -0.000 6.238) 6.238 4.962 ( 1.432 0.000 -5.493) 5.677 5.438 ( 0.442 0.000 -4.544) 4.566 5.984 ( 2.728 0.000 -3.335) 4.309 6.279 ( 9.413 0.000 5.768) 11.040 7.681 ( 8.644 0.000 -1.994) 8.871 7.915 ( 8.876 0.000 0.870) 8.918 8.794 ( 5.712 0.000 3.608) 6.756 9.314 ( -4.785 -0.000 3.379) 5.858 9.340 ( -2.524 -0.000 -7.614) 8.022 9.956 ( -5.200 -0.000 2.690) 5.854 10.270 ( -0.902 -0.000 -1.330) 1.607 12.892 ( -0.744 -0.000 1.161) 1.379 12.906 ( -0.979 -0.000 1.481) 1.776 13.101 ( 0.116 0.000 -2.269) 2.272 13.291 ( -1.917 -0.000 -2.205) 2.922 13.744 ( 0.068 0.000 0.735) 0.738 13.776 ( 0.616 0.000 -1.280) 1.421 ======================= Grid point 123 (56/129) ======================= q-point: (-0.12 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -10.985 -3.377 5.330) 12.668 1.098 ( -20.809 6.333 5.359) 22.402 1.244 ( -5.432 -0.790 3.942) 6.758 1.385 ( 0.379 -0.754 -0.985) 1.297 1.478 ( -8.782 -0.474 -1.116) 8.865 1.668 ( -4.289 -3.486 0.890) 5.598 1.780 ( -6.957 -1.096 -1.020) 7.116 1.860 ( -11.840 -1.117 2.489) 12.150 1.942 ( -4.480 5.091 0.069) 6.782 2.037 ( 1.874 -0.540 -1.567) 2.502 2.343 ( -11.925 2.022 -1.091) 12.144 2.628 ( -7.915 2.437 3.829) 9.124 2.724 ( -8.366 -13.161 1.108) 15.635 2.781 ( -1.267 -6.097 -2.696) 6.785 2.942 ( -1.612 0.036 0.280) 1.637 3.137 ( -2.847 3.104 -1.608) 4.508 3.178 ( -3.645 -1.400 -1.931) 4.356 3.272 ( 0.722 -5.404 -1.844) 5.755 3.607 ( -0.609 0.298 7.523) 7.553 4.980 ( 1.902 -1.138 -5.472) 5.904 5.395 ( -2.139 1.985 -4.398) 5.278 5.984 ( 0.689 2.397 -3.085) 3.967 6.447 ( 9.653 -0.050 5.413) 11.068 7.799 ( 8.081 1.647 -2.226) 8.542 8.024 ( 6.295 2.309 1.829) 6.950 8.897 ( 4.978 -1.066 3.841) 6.377 9.146 ( -3.889 8.118 -2.051) 9.232 9.380 ( -3.005 -8.082 -3.971) 9.493 9.872 ( -5.542 0.552 3.100) 6.374 10.254 ( -1.493 -0.838 -1.124) 2.048 12.887 ( -0.195 -0.231 0.495) 0.580 12.898 ( -0.604 0.188 2.330) 2.414 13.103 ( 0.519 -0.356 -2.093) 2.186 13.260 ( -1.658 -0.551 -1.831) 2.531 13.745 ( -0.027 0.227 0.538) 0.585 13.783 ( 0.546 -0.071 -1.230) 1.348 ======================= Grid point 131 (57/129) ======================= q-point: (-0.12 -0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -13.721 -0.000 11.862) 18.138 0.834 ( -21.765 -0.000 9.617) 23.795 1.144 ( -10.802 -0.000 1.400) 10.892 1.270 ( -13.100 -0.000 -0.847) 13.127 1.416 ( 1.524 0.000 -0.865) 1.752 1.425 ( -21.902 -0.000 13.420) 25.687 1.581 ( -4.503 -0.000 -0.389) 4.520 1.860 ( 0.601 0.000 0.458) 0.756 1.994 ( 1.518 0.000 -0.513) 1.602 2.045 ( 0.590 0.000 -2.481) 2.550 2.057 ( -17.263 -0.000 2.277) 17.413 2.472 ( -6.460 -0.000 -2.844) 7.058 2.541 ( -5.447 -0.000 5.272) 7.580 2.824 ( 5.815 0.000 -8.335) 10.163 2.907 ( -2.626 -0.000 0.468) 2.668 3.126 ( -1.316 -0.000 -1.543) 2.028 3.138 ( -2.512 -0.000 0.012) 2.512 3.187 ( -4.148 -0.000 -9.054) 9.959 3.640 ( 1.418 0.000 9.309) 9.417 4.980 ( 1.438 0.000 -4.637) 4.855 5.346 ( -3.905 -0.000 -4.078) 5.646 5.986 ( -1.234 -0.000 -3.654) 3.856 6.608 ( 8.800 0.000 5.688) 10.478 7.932 ( 7.633 0.000 -3.106) 8.240 8.136 ( 4.697 0.000 3.677) 5.965 8.974 ( 4.508 0.000 4.026) 6.044 9.172 ( -4.356 -0.000 1.019) 4.473 9.234 ( -1.761 -0.000 -9.102) 9.271 9.795 ( -5.428 -0.000 3.618) 6.523 10.216 ( -2.041 -0.000 -1.266) 2.402 12.886 ( 0.055 0.000 0.481) 0.484 12.900 ( -0.094 -0.000 2.741) 2.743 13.107 ( 0.835 0.000 -1.852) 2.031 13.226 ( -1.442 -0.000 -1.510) 2.088 13.745 ( -0.253 -0.000 0.286) 0.382 13.787 ( 0.507 0.000 -1.239) 1.339 ======================= Grid point 132 (58/129) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -2.430 -0.000 15.058) 15.253 0.804 ( -7.909 -0.000 16.995) 18.745 1.055 ( 5.277 0.000 2.530) 5.852 1.166 ( 3.545 0.000 11.202) 11.750 1.416 ( -0.020 -0.000 -1.857) 1.857 1.463 ( 0.323 0.000 -0.273) 0.423 1.564 ( -6.076 -0.000 11.131) 12.681 1.738 ( -2.838 -0.000 3.976) 4.885 1.962 ( -3.508 -0.000 -0.775) 3.593 2.077 ( 3.359 0.000 5.389) 6.350 2.115 ( 4.360 0.000 -0.695) 4.415 2.169 ( -1.786 -0.000 -5.762) 6.032 2.563 ( 1.091 0.000 0.719) 1.307 2.709 ( 3.382 0.000 -7.773) 8.477 2.838 ( -1.182 -0.000 -0.951) 1.517 2.905 ( 4.031 0.000 -3.122) 5.099 3.073 ( -1.502 -0.000 0.403) 1.555 3.112 ( 2.121 0.000 -0.808) 2.269 3.925 ( -0.508 -0.000 11.915) 11.926 4.830 ( 1.308 0.000 -11.689) 11.762 5.460 ( 6.337 0.000 3.137) 7.071 5.747 ( -4.212 -0.000 -7.440) 8.549 7.003 ( 1.684 0.000 11.823) 11.942 7.790 ( -1.938 -0.000 -12.537) 12.686 8.313 ( -1.983 -0.000 5.839) 6.166 8.801 ( -5.256 -0.000 -9.169) 10.568 9.128 ( -0.441 -0.000 3.448) 3.476 9.266 ( 6.150 0.000 -0.892) 6.215 9.815 ( -0.797 -0.000 5.953) 6.006 10.116 ( -0.062 -0.000 -3.328) 3.329 12.919 ( -0.003 -0.000 1.933) 1.933 12.981 ( -0.550 -0.000 3.090) 3.139 13.076 ( 0.313 0.000 -2.640) 2.659 13.168 ( 0.848 0.000 -2.305) 2.456 13.727 ( -0.658 -0.000 -0.236) 0.700 13.770 ( 0.683 0.000 -1.435) 1.589 ======================= Grid point 133 (59/129) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 1.275 -8.890 13.782) 16.450 0.893 ( 13.597 -7.137 6.991) 16.873 1.191 ( 9.558 0.251 4.356) 10.506 1.277 ( 3.888 -3.860 4.420) 7.040 1.393 ( -0.392 1.376 -0.291) 1.460 1.510 ( -3.581 -4.006 12.060) 13.203 1.554 ( 2.821 -4.876 -2.166) 6.035 1.785 ( 1.749 -0.458 3.172) 3.652 1.969 ( -0.183 -7.607 -1.603) 7.776 2.084 ( 0.366 0.800 -0.552) 1.039 2.112 ( -0.125 -1.638 1.546) 2.256 2.274 ( 7.367 -5.125 0.709) 9.002 2.550 ( 1.463 3.603 -0.157) 3.892 2.820 ( 5.150 -6.128 -4.800) 9.333 2.839 ( 1.708 -0.901 -2.070) 2.831 2.978 ( 5.301 1.045 -2.466) 5.939 3.106 ( 0.396 -3.692 -0.779) 3.794 3.167 ( 3.179 -2.784 -2.008) 4.679 3.920 ( -2.167 2.042 13.479) 13.804 4.825 ( 1.329 -1.196 -12.491) 12.619 5.540 ( 4.596 2.477 2.611) 5.837 5.664 ( -3.046 0.228 -8.081) 8.639 7.013 ( -2.950 2.183 11.922) 12.474 7.678 ( -4.627 3.518 -12.470) 13.758 8.257 ( -2.853 4.436 7.648) 9.290 8.696 ( -5.537 -1.015 -8.126) 9.886 9.146 ( 1.219 0.525 2.770) 3.072 9.387 ( 7.791 -2.181 -2.417) 8.444 9.842 ( 0.209 -1.859 6.232) 6.507 10.119 ( 0.999 -0.689 -3.514) 3.717 12.923 ( -0.173 -0.063 2.411) 2.418 12.974 ( -0.884 0.266 2.768) 2.918 13.075 ( 0.196 -0.391 -2.899) 2.932 13.185 ( 1.313 -0.757 -2.357) 2.802 13.718 ( -0.423 -0.042 -0.295) 0.517 13.776 ( 0.674 0.154 -1.199) 1.384 ======================= Grid point 134 (60/129) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 4.696 -8.010 10.991) 14.387 1.142 ( 5.880 -1.538 1.970) 6.389 1.311 ( 2.042 1.076 0.700) 2.412 1.410 ( 8.888 -5.072 3.091) 10.690 1.448 ( 5.855 -2.495 1.154) 6.468 1.541 ( -1.686 -3.369 7.576) 8.461 1.682 ( 2.874 -2.219 -0.860) 3.732 1.805 ( -1.395 -7.304 -0.600) 7.460 2.045 ( -0.161 -4.860 2.066) 5.283 2.068 ( 0.292 0.977 -3.485) 3.631 2.237 ( 4.008 -4.850 -0.525) 6.314 2.511 ( 9.994 1.699 -5.797) 11.678 2.595 ( 6.526 -13.620 4.883) 15.872 2.873 ( 2.616 -0.647 -0.639) 2.769 2.979 ( 3.515 -6.247 0.604) 7.194 3.031 ( 5.220 1.954 -1.527) 5.779 3.148 ( 0.140 -2.179 1.048) 2.422 3.227 ( 0.676 -1.835 -3.206) 3.756 3.898 ( -1.606 1.290 13.838) 13.990 4.842 ( 2.026 -2.335 -13.137) 13.496 5.519 ( -0.927 4.394 -0.887) 4.578 5.639 ( 1.431 -0.219 -3.948) 4.205 6.916 ( -6.598 5.355 11.989) 14.695 7.520 ( -4.274 3.853 -12.156) 13.449 8.162 ( -2.276 6.094 7.336) 9.804 8.629 ( -4.389 -3.334 -7.580) 9.372 9.156 ( 1.233 1.809 2.769) 3.530 9.528 ( 7.169 -1.993 -2.541) 7.862 9.890 ( -0.176 -2.468 5.889) 6.388 10.148 ( 2.200 -1.304 -3.530) 4.360 12.929 ( -0.165 -0.109 2.869) 2.876 12.962 ( -1.030 0.302 2.350) 2.583 13.077 ( 0.175 -0.519 -2.936) 2.987 13.213 ( 1.562 -0.887 -2.880) 3.394 13.715 ( -0.183 -0.273 -0.163) 0.367 13.779 ( 0.548 0.391 -0.961) 1.173 ======================= Grid point 135 (61/129) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -0.344 0.503 2.866) 2.930 1.262 ( 3.187 -3.450 9.830) 10.894 1.308 ( -0.106 0.514 1.001) 1.130 1.506 ( -1.044 -1.239 2.423) 2.914 1.575 ( 4.879 0.327 1.855) 5.230 1.591 ( -0.344 -1.269 2.135) 2.508 1.728 ( 2.478 -3.524 1.070) 4.439 1.908 ( 0.616 -3.595 -4.700) 5.949 2.071 ( 0.911 -2.697 0.949) 3.000 2.143 ( 2.080 -5.349 0.736) 5.786 2.315 ( -0.565 -4.415 -1.697) 4.764 2.565 ( 6.771 3.587 -4.594) 8.934 2.882 ( 4.997 -2.449 -1.866) 5.870 2.931 ( 1.181 -2.673 -0.356) 2.944 3.036 ( -1.022 -0.260 5.175) 5.281 3.126 ( 4.936 -1.871 1.016) 5.375 3.182 ( 0.878 -1.687 1.432) 2.381 3.283 ( 5.188 -6.694 -4.199) 9.452 3.922 ( 0.325 -1.178 12.466) 12.525 4.856 ( 0.776 0.124 -12.593) 12.618 5.434 ( -1.960 3.480 -0.201) 3.999 5.659 ( 1.636 -0.543 -3.613) 4.003 6.755 ( -7.054 6.494 12.078) 15.421 7.412 ( -0.957 0.705 -11.989) 12.047 8.077 ( -0.911 5.113 6.967) 8.689 8.610 ( -3.218 -5.239 -7.483) 9.685 9.151 ( 0.999 2.341 2.954) 3.900 9.627 ( 4.566 0.304 -1.866) 4.942 9.926 ( -1.261 -2.191 5.374) 5.939 10.196 ( 2.604 -1.310 -3.506) 4.560 12.935 ( -0.217 0.056 2.513) 2.523 12.949 ( -0.893 0.221 2.607) 2.765 13.078 ( 0.176 -0.275 -2.852) 2.871 13.236 ( 1.355 -0.382 -3.397) 3.677 13.720 ( 0.024 -0.575 0.067) 0.580 13.777 ( 0.371 0.574 -0.860) 1.099 ======================= Grid point 136 (62/129) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -3.101 0.994 3.684) 4.917 1.296 ( 0.082 3.016 7.273) 7.873 1.320 ( -3.204 -2.472 5.055) 6.475 1.492 ( -2.641 0.267 4.159) 4.934 1.544 ( -1.795 1.057 -1.618) 2.638 1.665 ( 2.640 -1.625 1.444) 3.420 1.788 ( 0.153 -0.627 0.984) 1.177 1.890 ( -1.313 1.084 -4.085) 4.426 2.125 ( -0.094 -0.865 2.212) 2.377 2.202 ( -0.768 0.228 -0.131) 0.812 2.341 ( -2.917 -3.831 -1.929) 5.188 2.581 ( 4.238 5.129 -5.314) 8.515 2.879 ( -2.664 3.167 1.806) 4.515 2.926 ( 0.144 -0.487 1.221) 1.323 3.051 ( -0.626 -0.675 2.591) 2.749 3.164 ( 0.958 1.372 -0.844) 1.874 3.219 ( 1.689 -0.281 0.921) 1.944 3.475 ( 4.353 -4.994 -5.165) 8.401 3.970 ( -1.520 0.673 12.021) 12.136 4.789 ( -0.588 2.728 -11.067) 11.413 5.378 ( -1.136 1.802 0.523) 2.194 5.700 ( 1.946 -3.696 -4.691) 6.281 6.625 ( -3.309 4.416 11.766) 12.996 7.423 ( 3.328 -4.069 -11.533) 12.674 8.042 ( 0.824 2.559 7.068) 7.562 8.631 ( -2.238 -6.789 -7.823) 10.597 9.142 ( 0.981 2.369 3.225) 4.120 9.642 ( 1.207 3.507 -1.083) 3.864 9.935 ( -2.588 -1.494 4.701) 5.570 10.234 ( 1.705 -0.477 -3.380) 3.816 12.928 ( -0.391 0.630 1.350) 1.540 12.950 ( -0.435 -0.241 3.825) 3.857 13.074 ( 0.213 0.165 -2.728) 2.741 13.244 ( 0.797 0.396 -3.670) 3.776 13.730 ( 0.092 -0.702 0.227) 0.744 13.771 ( 0.257 0.589 -0.937) 1.136 ======================= Grid point 137 (63/129) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -5.916 0.833 5.857) 8.366 1.224 ( -6.179 4.501 11.397) 13.723 1.315 ( -2.102 -1.805 1.760) 3.283 1.442 ( -3.330 2.161 4.447) 5.961 1.482 ( -3.812 2.084 -1.190) 4.505 1.709 ( 0.194 -0.705 0.553) 0.917 1.762 ( -1.142 2.317 -1.078) 2.799 1.858 ( -0.770 -0.605 -2.411) 2.603 2.086 ( -4.169 7.416 1.201) 8.592 2.096 ( -2.896 4.506 2.095) 5.752 2.310 ( -4.654 -0.449 -1.601) 4.942 2.538 ( -0.875 2.337 -4.496) 5.142 2.826 ( 0.162 2.813 1.304) 3.105 2.928 ( -1.111 -0.586 0.404) 1.319 3.035 ( -2.198 0.909 -0.395) 2.411 3.130 ( -1.307 3.082 0.317) 3.362 3.224 ( 0.256 3.683 -1.637) 4.039 3.452 ( -4.376 6.493 -3.749) 8.681 3.876 ( -6.683 4.858 15.655) 17.702 4.782 ( 3.807 -1.604 -12.419) 13.089 5.346 ( -0.722 0.920 0.552) 1.293 5.780 ( 1.137 -5.287 -5.109) 7.440 6.620 ( 3.040 0.132 11.214) 11.619 7.541 ( 5.359 -6.793 -10.794) 13.834 8.072 ( 2.323 -0.697 7.172) 7.571 8.685 ( -1.137 -8.148 -8.424) 11.775 9.138 ( 1.410 2.106 3.512) 4.331 9.562 ( -2.462 6.593 -0.400) 7.049 9.916 ( -3.078 -0.606 3.958) 5.050 10.236 ( -0.109 0.809 -3.210) 3.313 12.919 ( -0.011 0.718 1.357) 1.535 12.956 ( -0.585 -0.269 4.128) 4.178 13.069 ( 0.557 0.358 -2.580) 2.664 13.231 ( 0.180 1.125 -3.698) 3.870 13.740 ( -0.081 -0.588 0.217) 0.632 13.765 ( 0.248 0.430 -1.116) 1.221 ======================= Grid point 138 (64/129) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -9.032 -0.440 11.246) 14.431 1.059 ( -9.176 6.397 12.017) 16.417 1.264 ( -5.677 2.823 2.531) 6.827 1.343 ( -7.126 4.052 3.076) 8.755 1.404 ( 0.342 1.614 -1.198) 2.039 1.644 ( -2.770 4.826 -2.943) 6.295 1.751 ( -2.024 -0.706 1.868) 2.843 1.841 ( -5.143 3.759 1.401) 6.523 1.892 ( 0.259 3.042 4.709) 5.612 2.051 ( 1.227 2.709 -0.813) 3.083 2.209 ( -4.752 3.360 -1.655) 6.050 2.474 ( -5.951 -1.466 -3.548) 7.082 2.791 ( 0.653 5.663 -1.739) 5.960 2.850 ( -9.185 14.922 0.859) 17.543 2.912 ( -3.256 0.219 0.092) 3.265 3.021 ( -4.952 2.532 0.649) 5.600 3.127 ( -1.346 2.624 -1.589) 3.350 3.296 ( -1.183 6.949 -3.410) 7.831 3.826 ( -1.731 -0.650 14.249) 14.368 4.825 ( 3.252 -0.707 -12.339) 12.780 5.336 ( 0.123 0.240 1.853) 1.873 5.829 ( -1.204 -3.832 -5.734) 7.001 6.753 ( 7.171 -2.390 10.598) 13.017 7.687 ( 4.749 -6.673 -10.851) 13.595 8.161 ( 2.629 -3.635 6.945) 8.267 8.770 ( 0.052 -8.717 -9.108) 12.608 9.148 ( 2.021 1.625 3.505) 4.360 9.398 ( -4.927 8.338 0.093) 9.685 9.881 ( -2.832 0.609 3.883) 4.844 10.196 ( -1.625 1.595 -3.184) 3.915 12.915 ( 0.147 0.639 1.524) 1.659 12.962 ( -0.530 -0.386 4.198) 4.249 13.070 ( 0.977 0.229 -2.361) 2.566 13.203 ( -0.160 1.500 -3.445) 3.760 13.743 ( -0.432 -0.383 0.124) 0.590 13.762 ( 0.364 0.224 -1.366) 1.432 ======================= Grid point 139 (65/129) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -13.597 1.817 14.634) 20.059 0.918 ( -5.903 1.961 16.544) 17.675 1.121 ( -8.381 6.061 0.047) 10.343 1.159 ( -1.268 6.552 5.620) 8.725 1.410 ( 0.747 -0.399 -1.383) 1.621 1.524 ( -2.240 5.498 -2.132) 6.309 1.635 ( -6.331 2.135 11.604) 13.390 1.815 ( -5.136 -2.962 3.435) 6.852 1.957 ( 5.122 -1.845 4.777) 7.243 2.021 ( -0.221 2.943 -1.941) 3.532 2.100 ( 1.183 6.220 -1.490) 6.505 2.309 ( -10.682 4.439 -3.242) 12.013 2.562 ( -3.180 2.353 1.802) 4.346 2.745 ( 2.225 6.222 -6.001) 8.926 2.868 ( -3.390 -0.759 0.016) 3.474 2.932 ( -3.413 1.424 -2.495) 4.461 3.099 ( 0.897 1.205 -0.941) 1.773 3.161 ( -2.307 7.237 -1.963) 7.846 3.876 ( 0.464 -1.877 12.373) 12.523 4.837 ( 2.091 0.148 -11.575) 11.763 5.366 ( 3.365 -0.254 3.815) 5.093 5.815 ( -3.342 -1.646 -6.516) 7.506 6.910 ( 5.694 -1.110 10.776) 12.238 7.790 ( 2.160 -4.356 -11.907) 12.861 8.268 ( 1.293 -4.410 5.817) 7.413 8.846 ( -1.147 -5.576 -9.925) 11.442 9.162 ( -0.613 1.393 3.387) 3.713 9.235 ( -0.357 5.799 0.447) 5.827 9.837 ( -2.313 1.387 4.862) 5.560 10.142 ( -1.428 1.056 -3.170) 3.633 12.915 ( 0.128 0.291 1.715) 1.744 12.973 ( -0.230 -0.472 3.768) 3.804 13.076 ( 0.776 0.154 -2.313) 2.444 13.175 ( 0.145 1.084 -2.879) 3.080 13.738 ( -0.718 -0.137 -0.036) 0.732 13.764 ( 0.576 0.030 -1.526) 1.631 ======================= Grid point 141 (66/129) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 12.712 0.000 9.083) 15.624 1.086 ( 11.954 0.000 5.416) 13.124 1.316 ( 6.816 0.000 2.848) 7.387 1.367 ( 5.521 0.000 1.240) 5.659 1.444 ( 7.989 0.000 -0.255) 7.994 1.458 ( -2.687 -0.000 12.787) 13.067 1.583 ( 6.675 0.000 -3.371) 7.477 1.841 ( -1.679 -0.000 -2.675) 3.159 1.924 ( 4.345 0.000 2.152) 4.849 2.080 ( 0.001 0.000 -5.218) 5.218 2.179 ( 10.868 0.000 9.504) 14.437 2.307 ( 2.426 0.000 1.545) 2.876 2.652 ( 5.269 0.000 1.574) 5.499 2.815 ( 4.699 0.000 -6.914) 8.360 2.870 ( 3.414 0.000 -0.967) 3.548 3.078 ( 4.363 0.000 -1.263) 4.542 3.107 ( 3.653 0.000 -0.984) 3.783 3.199 ( 3.654 0.000 -3.545) 5.091 3.927 ( -3.294 -0.000 14.628) 14.994 4.801 ( 1.405 0.000 -12.411) 12.490 5.596 ( -2.372 -0.000 -9.197) 9.498 5.626 ( 2.883 0.000 2.658) 3.922 6.988 ( -6.579 -0.000 13.145) 14.699 7.579 ( -6.495 -0.000 -13.056) 14.582 8.256 ( -4.007 -0.000 8.556) 9.448 8.565 ( -6.632 -0.000 -7.161) 9.760 9.194 ( 2.693 0.000 1.305) 2.993 9.495 ( 8.925 0.000 -3.584) 9.618 9.853 ( 0.512 0.000 6.960) 6.979 10.129 ( 2.180 0.000 -3.508) 4.130 12.928 ( -0.073 -0.000 2.869) 2.870 12.968 ( -0.986 -0.000 2.398) 2.592 13.068 ( 0.257 0.000 -3.130) 3.140 13.200 ( 1.991 0.000 -2.407) 3.124 13.712 ( -0.296 -0.000 -0.355) 0.462 13.785 ( 0.623 0.000 -0.952) 1.137 ======================= Grid point 142 (67/129) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 6.888 0.549 2.775) 7.446 1.192 ( 5.068 -0.963 4.745) 7.009 1.388 ( 4.449 3.660 2.207) 6.169 1.482 ( 6.994 -2.500 2.403) 7.806 1.487 ( 0.112 -1.801 7.870) 8.074 1.611 ( 11.425 -0.676 0.556) 11.459 1.740 ( 7.672 -5.535 -2.628) 9.819 1.780 ( 2.179 6.593 -1.735) 7.157 2.006 ( 3.502 -3.763 0.822) 5.206 2.069 ( 0.463 0.161 -3.982) 4.012 2.277 ( 1.913 2.565 0.583) 3.253 2.568 ( 14.771 -13.936 3.345) 20.581 2.701 ( 8.093 6.123 -0.417) 10.157 2.913 ( 2.708 -1.090 -0.243) 2.930 2.939 ( 3.627 -5.170 0.461) 6.332 3.138 ( 3.973 -0.456 0.331) 4.012 3.160 ( 3.986 0.957 -1.256) 4.287 3.226 ( 0.936 0.557 -3.239) 3.417 3.914 ( -2.379 0.278 14.710) 14.904 4.813 ( 2.680 -1.848 -12.576) 12.990 5.527 ( -1.859 2.497 -7.176) 7.823 5.658 ( 0.567 -0.047 1.203) 1.330 6.882 ( -9.198 2.594 13.456) 16.505 7.438 ( -5.838 0.774 -13.291) 14.537 8.186 ( -5.269 2.509 8.500) 10.311 8.477 ( -5.442 -3.436 -6.884) 9.424 9.223 ( 2.513 1.952 0.956) 3.323 9.621 ( 7.793 -0.395 -3.655) 8.617 9.884 ( 0.010 -0.857 6.848) 6.901 10.166 ( 2.994 -0.685 -3.293) 4.503 12.936 ( 0.049 0.043 3.245) 3.245 12.958 ( -0.731 0.280 2.007) 2.155 13.067 ( 0.449 -0.328 -3.156) 3.205 13.228 ( 2.326 -0.172 -2.952) 3.762 13.709 ( -0.125 -0.211 -0.236) 0.340 13.789 ( 0.376 0.239 -0.738) 0.862 ======================= Grid point 143 (68/129) ======================= q-point: ( 0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -1.981 0.899 2.468) 3.290 1.283 ( 1.723 0.787 1.155) 2.219 1.436 ( 5.986 4.618 4.833) 8.974 1.527 ( 2.794 1.459 5.133) 6.023 1.579 ( 2.136 -0.502 2.003) 2.970 1.708 ( 5.189 7.246 0.791) 8.947 1.764 ( 3.804 -0.318 0.658) 3.874 1.889 ( 3.211 -2.403 -4.699) 6.178 2.081 ( 3.623 -1.090 0.277) 3.793 2.158 ( 7.311 -2.746 -1.112) 7.889 2.269 ( -0.278 -0.528 -1.501) 1.615 2.737 ( 7.056 5.950 -1.321) 9.324 2.899 ( 5.305 -5.205 -2.188) 7.747 2.937 ( 1.468 1.089 0.879) 2.028 3.041 ( 0.095 -0.610 6.178) 6.209 3.194 ( 2.785 0.101 -0.305) 2.804 3.218 ( 5.764 0.802 -0.109) 5.821 3.260 ( 4.662 -6.585 -3.631) 8.848 3.942 ( 0.502 -1.322 13.060) 13.136 4.843 ( 2.123 -0.215 -12.205) 12.390 5.437 ( -2.575 3.082 -2.518) 4.740 5.657 ( -0.659 -0.408 -1.991) 2.137 6.732 ( -8.845 3.226 13.181) 16.199 7.340 ( -2.751 -1.911 -12.994) 13.419 8.096 ( -5.151 1.405 8.128) 9.725 8.451 ( -4.021 -5.740 -6.838) 9.791 9.227 ( 2.368 3.199 1.207) 4.159 9.706 ( 4.756 1.259 -2.865) 5.693 9.906 ( -0.817 -0.680 6.126) 6.217 10.214 ( 2.709 -0.833 -3.141) 4.231 12.944 ( 0.122 0.327 2.432) 2.457 12.950 ( -0.350 0.350 2.715) 2.760 13.072 ( 0.573 -0.264 -3.066) 3.131 13.253 ( 2.013 0.283 -3.527) 4.071 13.713 ( 0.126 -0.488 -0.031) 0.505 13.786 ( 0.087 0.419 -0.681) 0.804 ======================= Grid point 144 (69/129) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -3.222 1.969 2.725) 4.657 1.278 ( -0.796 0.386 2.209) 2.380 1.438 ( 2.313 6.771 4.861) 8.650 1.507 ( -0.629 5.227 2.935) 6.027 1.586 ( 3.023 4.540 0.535) 5.481 1.733 ( 6.048 3.703 1.350) 7.219 1.796 ( 0.339 0.432 1.836) 1.916 1.887 ( -0.503 1.620 -4.571) 4.875 2.165 ( 4.306 0.610 1.711) 4.674 2.235 ( 0.798 -0.045 -2.297) 2.432 2.278 ( 1.447 1.940 -0.684) 2.515 2.711 ( 1.038 7.850 -0.826) 7.962 2.896 ( -1.031 2.722 0.273) 2.923 2.935 ( -0.115 1.489 -0.371) 1.539 3.053 ( 0.866 0.426 4.938) 5.032 3.203 ( 1.039 2.257 -0.728) 2.589 3.288 ( 5.037 1.401 -0.835) 5.295 3.445 ( 3.258 -6.198 -3.930) 8.029 3.994 ( -1.050 1.595 12.149) 12.298 4.799 ( 0.644 3.095 -11.201) 11.639 5.377 ( -1.408 0.992 0.333) 1.755 5.657 ( -0.421 -2.887 -4.722) 5.551 6.629 ( -4.714 0.529 12.433) 13.307 7.351 ( 0.868 -6.421 -12.178) 13.794 8.046 ( -3.971 -1.371 8.265) 9.271 8.471 ( -2.444 -7.152 -7.372) 10.558 9.221 ( 2.562 3.587 1.710) 4.728 9.706 ( 0.265 3.897 -1.447) 4.165 9.910 ( -0.736 0.129 4.684) 4.744 10.245 ( 1.316 -0.126 -3.070) 3.342 12.941 ( 0.303 0.828 1.091) 1.403 12.954 ( -0.269 0.117 4.137) 4.147 13.074 ( 0.647 0.055 -2.960) 3.030 13.261 ( 1.351 0.995 -3.881) 4.228 13.724 ( 0.195 -0.564 0.109) 0.607 13.778 ( -0.073 0.436 -0.798) 0.912 ======================= Grid point 145 (70/129) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -3.207 3.599 4.219) 6.407 1.271 ( -1.207 -0.377 3.188) 3.429 1.320 ( -1.798 11.895 4.830) 12.964 1.450 ( -0.898 3.773 2.450) 4.587 1.537 ( 0.825 6.822 0.798) 6.918 1.758 ( 4.229 5.285 -0.793) 6.815 1.781 ( -0.523 1.792 0.577) 1.953 1.851 ( 0.607 0.815 -2.717) 2.901 2.180 ( 2.532 6.597 1.389) 7.201 2.184 ( 0.423 10.475 1.426) 10.580 2.231 ( -3.021 -1.332 -1.554) 3.649 2.569 ( -3.614 8.219 -0.892) 9.023 2.863 ( -0.239 1.110 0.229) 1.158 2.905 ( -1.980 0.844 -0.742) 2.277 3.065 ( 2.385 3.485 2.139) 4.734 3.169 ( 0.213 3.554 -0.286) 3.572 3.293 ( -0.216 5.960 -3.101) 6.722 3.456 ( -2.549 3.466 -3.079) 5.290 3.880 ( -7.617 6.058 16.815) 19.428 4.799 ( 5.018 -0.602 -12.872) 13.829 5.351 ( -0.631 0.776 1.334) 1.667 5.698 ( -0.447 -5.245 -5.765) 7.807 6.657 ( 1.165 -4.072 11.363) 12.127 7.458 ( 2.263 -9.357 -11.267) 14.820 8.056 ( -2.737 -4.209 8.573) 9.935 8.533 ( -0.327 -8.221 -8.163) 11.591 9.221 ( 2.977 3.427 2.267) 5.074 9.603 ( -3.870 6.390 -0.430) 7.483 9.907 ( 0.077 1.247 3.466) 3.684 10.236 ( -0.547 1.148 -3.026) 3.283 12.938 ( 0.343 0.957 1.254) 1.614 12.957 ( -0.463 0.092 4.224) 4.250 13.076 ( 0.893 0.199 -2.779) 2.925 13.248 ( 0.733 1.669 -3.960) 4.360 13.732 ( -0.064 -0.404 0.138) 0.432 13.769 ( -0.027 0.286 -1.021) 1.061 ======================= Grid point 146 (71/129) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -1.077 5.609 7.444) 9.382 1.115 ( -3.714 12.907 6.630) 14.978 1.265 ( -0.618 0.589 4.512) 4.592 1.347 ( -3.168 8.387 1.238) 9.051 1.461 ( 0.273 4.882 0.032) 4.890 1.700 ( 1.269 6.698 -3.753) 7.782 1.755 ( -1.835 3.263 2.522) 4.514 1.855 ( 2.463 3.036 -1.003) 4.036 2.024 ( 1.554 10.761 6.543) 12.689 2.131 ( 1.406 5.233 -0.949) 5.501 2.203 ( 0.232 1.756 -2.590) 3.138 2.401 ( -5.323 5.744 -2.038) 8.092 2.820 ( -4.154 5.708 0.293) 7.065 2.852 ( -1.885 0.110 0.044) 1.888 2.979 ( -5.539 14.584 0.837) 15.623 3.051 ( -0.948 6.984 -0.228) 7.051 3.153 ( 0.356 2.668 -0.021) 2.692 3.355 ( -1.250 5.574 -3.973) 6.958 3.819 ( -2.264 -1.222 15.343) 15.557 4.843 ( 4.085 0.294 -13.381) 13.994 5.357 ( 1.336 -0.387 3.056) 3.357 5.731 ( -1.886 -4.256 -6.472) 7.972 6.807 ( 3.845 -6.538 10.206) 12.716 7.589 ( 1.333 -9.581 -11.282) 14.861 8.113 ( -2.275 -6.312 8.481) 10.814 8.638 ( 1.694 -8.532 -8.638) 12.259 9.226 ( 2.186 3.163 2.820) 4.768 9.436 ( -4.128 7.693 -0.607) 8.751 9.893 ( 0.089 2.446 3.585) 4.341 10.188 ( -1.456 2.003 -3.077) 3.950 12.930 ( -0.126 0.847 1.811) 2.003 12.963 ( -0.248 -0.129 3.787) 3.797 13.082 ( 0.948 0.201 -2.546) 2.724 13.221 ( 0.426 2.035 -3.665) 4.214 13.733 ( -0.406 -0.192 0.066) 0.454 13.765 ( 0.212 0.057 -1.248) 1.267 ======================= Grid point 147 (72/129) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 3.142 11.513 7.569) 14.132 0.982 ( 0.171 6.937 14.212) 15.816 1.160 ( -1.252 10.200 -0.344) 10.282 1.268 ( 2.191 2.694 4.321) 5.543 1.411 ( -0.627 2.124 -1.144) 2.492 1.611 ( 0.962 8.399 -2.178) 8.730 1.625 ( -5.266 5.491 10.226) 12.746 1.826 ( 1.282 6.203 1.840) 6.596 2.019 ( 2.342 0.915 5.029) 5.622 2.078 ( 1.169 3.617 -1.881) 4.241 2.215 ( 5.393 3.073 -5.002) 7.971 2.223 ( -5.125 6.110 -1.950) 8.209 2.586 ( -4.279 8.672 4.848) 10.817 2.828 ( 1.388 2.344 -1.495) 3.108 2.841 ( 0.087 2.426 -0.826) 2.565 2.978 ( 1.534 5.410 -3.304) 6.522 3.139 ( 1.168 2.101 0.309) 2.423 3.232 ( -1.097 7.391 -3.862) 8.411 3.871 ( -0.891 -3.044 13.484) 13.852 4.847 ( 2.407 1.135 -12.893) 13.165 5.425 ( 4.259 -1.995 3.887) 6.101 5.718 ( -3.117 -2.119 -7.268) 8.187 6.954 ( 1.077 -4.666 10.225) 11.291 7.680 ( -1.231 -7.476 -11.971) 14.167 8.193 ( -2.225 -7.054 7.697) 10.674 8.737 ( 0.223 -5.239 -8.946) 10.370 9.177 ( -3.238 3.543 3.381) 5.870 9.340 ( 4.398 4.889 -1.231) 6.690 9.863 ( -0.237 3.062 4.864) 5.753 10.138 ( -0.439 1.576 -3.264) 3.650 12.924 ( -0.245 0.404 2.124) 2.176 12.971 ( -0.379 -0.376 3.277) 3.320 13.083 ( 0.522 0.361 -2.586) 2.662 13.194 ( 0.668 1.691 -2.974) 3.486 13.726 ( -0.525 -0.032 -0.110) 0.537 13.768 ( 0.507 -0.130 -1.327) 1.427 ======================= Grid point 150 (73/129) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -2.240 -0.000 3.260) 3.955 1.315 ( 4.299 0.000 -2.201) 4.830 1.499 ( 0.688 0.000 6.510) 6.546 1.560 ( 4.523 0.000 2.009) 4.949 1.563 ( 10.510 0.000 3.779) 11.169 1.766 ( 9.957 0.000 0.811) 9.990 1.791 ( 3.660 0.000 -1.257) 3.870 1.878 ( 3.868 0.000 -5.235) 6.510 2.085 ( 3.598 0.000 -4.355) 5.649 2.108 ( 12.276 0.000 -0.598) 12.290 2.310 ( -0.595 -0.000 1.247) 1.382 2.730 ( 17.035 0.000 1.498) 17.101 2.899 ( 8.294 0.000 4.415) 9.396 2.903 ( 1.940 0.000 -0.589) 2.028 2.967 ( 1.963 0.000 0.100) 1.965 3.179 ( 1.875 0.000 -0.016) 1.875 3.223 ( 3.293 0.000 0.233) 3.301 3.248 ( 2.463 0.000 -2.580) 3.567 3.925 ( -0.650 -0.000 14.707) 14.722 4.821 ( 4.276 0.000 -12.248) 12.972 5.504 ( -0.963 -0.000 -8.905) 8.957 5.643 ( -3.031 -0.000 2.876) 4.178 6.780 ( -10.834 -0.000 14.174) 17.840 7.315 ( -5.417 -0.000 -14.143) 15.145 8.118 ( -8.293 -0.000 9.751) 12.801 8.362 ( -3.721 -0.000 -7.647) 8.504 9.277 ( 2.508 0.000 0.533) 2.564 9.720 ( 6.095 0.000 -3.396) 6.977 9.897 ( 0.089 0.000 6.507) 6.507 10.201 ( 3.051 0.000 -2.936) 4.234 12.947 ( 0.168 0.000 3.527) 3.531 12.958 ( -0.207 -0.000 1.680) 1.693 13.067 ( 0.814 0.000 -3.230) 3.331 13.257 ( 2.508 0.000 -3.476) 4.287 13.706 ( 0.126 0.000 -0.171) 0.213 13.792 ( 0.017 0.000 -0.571) 0.571 ======================= Grid point 151 (74/129) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -3.695 -0.008 3.036) 4.782 1.335 ( 1.560 2.168 -1.677) 3.154 1.507 ( -0.453 0.896 4.442) 4.554 1.619 ( 3.585 1.520 2.356) 4.552 1.688 ( 6.031 2.193 1.992) 6.719 1.811 ( 1.430 1.092 0.039) 1.800 1.891 ( 1.017 0.099 -4.939) 5.043 1.921 ( 10.204 3.402 -2.846) 11.127 2.158 ( 6.227 -0.258 -1.263) 6.359 2.271 ( 6.422 3.990 1.282) 7.669 2.319 ( 7.740 0.881 -0.465) 7.804 2.879 ( 0.721 4.023 1.567) 4.377 2.935 ( 4.047 0.716 -1.265) 4.301 2.986 ( 2.966 0.766 -0.443) 3.095 3.057 ( 2.939 -1.676 5.750) 6.672 3.222 ( 3.608 -6.016 -1.694) 7.217 3.253 ( 1.930 1.321 0.443) 2.380 3.311 ( 5.658 0.091 -0.882) 5.727 3.989 ( 3.747 -0.633 12.530) 13.094 4.859 ( 3.846 0.531 -11.619) 12.250 5.437 ( -1.977 3.468 -4.503) 6.018 5.600 ( -4.375 -2.194 -0.492) 4.919 6.646 ( -10.105 0.564 13.867) 17.167 7.227 ( -2.867 -2.443 -13.906) 14.407 8.012 ( -8.700 -0.770 9.664) 13.026 8.323 ( -1.800 -3.187 -7.975) 8.774 9.303 ( 2.440 1.907 1.167) 3.309 9.771 ( 1.773 1.034 -1.296) 2.428 9.918 ( 1.062 0.291 4.323) 4.461 10.237 ( 2.240 -0.272 -2.791) 3.589 12.958 ( 0.271 0.216 2.871) 2.892 12.960 ( 0.097 0.322 2.200) 2.225 13.073 ( 0.948 -0.088 -3.163) 3.303 13.280 ( 1.986 0.385 -4.016) 4.497 13.712 ( 0.484 -0.225 -0.057) 0.537 13.786 ( -0.305 0.182 -0.545) 0.651 ======================= Grid point 152 (75/129) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -3.341 0.224 3.128) 4.582 1.309 ( 0.451 2.987 -0.130) 3.024 1.497 ( -0.473 0.958 3.330) 3.498 1.614 ( 1.864 6.525 0.805) 6.834 1.701 ( 2.110 4.915 0.031) 5.348 1.810 ( 0.066 1.058 1.296) 1.674 1.882 ( 0.118 0.350 -3.723) 3.741 1.971 ( 7.551 7.177 -5.386) 11.727 2.218 ( 2.619 2.049 3.123) 4.562 2.316 ( 8.582 4.990 0.901) 9.968 2.412 ( 6.581 4.832 -0.526) 8.182 2.795 ( -3.381 6.502 2.522) 7.750 2.915 ( -0.676 2.594 -0.863) 2.816 2.951 ( -2.078 3.025 -0.504) 3.704 3.118 ( 4.072 0.928 5.259) 6.716 3.250 ( 0.681 2.207 0.299) 2.329 3.359 ( 2.436 -1.728 -2.106) 3.655 3.408 ( 4.409 -3.837 -1.738) 6.098 4.061 ( 1.078 4.436 11.236) 12.128 4.837 ( 2.354 3.333 -10.778) 11.525 5.372 ( -1.249 1.172 -0.108) 1.716 5.576 ( -2.671 -3.849 -5.049) 6.888 6.562 ( -6.415 -2.589 13.004) 14.730 7.233 ( 0.167 -6.457 -12.817) 14.353 7.943 ( -7.234 -3.600 9.400) 12.396 8.347 ( 0.209 -5.169 -8.348) 9.821 9.313 ( 2.692 2.911 2.154) 4.512 9.733 ( -2.788 3.119 0.462) 4.209 9.942 ( 2.092 1.186 2.382) 3.385 10.254 ( 0.780 0.262 -2.901) 3.015 12.961 ( 0.549 0.706 0.726) 1.152 12.964 ( -0.286 0.322 4.369) 4.390 13.080 ( 0.909 0.028 -3.049) 3.182 13.285 ( 1.278 0.970 -4.341) 4.628 13.724 ( 0.508 -0.190 0.026) 0.543 13.776 ( -0.415 0.207 -0.663) 0.809 ======================= Grid point 153 (76/129) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -1.069 1.193 3.480) 3.831 1.278 ( 0.002 2.114 0.688) 2.223 1.462 ( -0.667 6.057 1.697) 6.326 1.526 ( 1.203 8.031 2.788) 8.586 1.629 ( -0.681 6.708 -0.864) 6.798 1.793 ( -0.613 1.352 1.239) 1.933 1.857 ( 0.400 2.782 -4.618) 5.406 1.960 ( 4.334 4.392 -5.591) 8.326 2.231 ( 3.693 4.686 4.174) 7.281 2.347 ( 6.533 8.259 0.344) 10.536 2.371 ( 2.715 11.093 1.028) 11.467 2.628 ( -4.526 8.812 0.733) 9.934 2.869 ( -0.665 1.824 -0.537) 2.015 2.894 ( -1.343 1.513 -0.188) 2.032 3.158 ( 1.661 2.442 3.749) 4.772 3.224 ( 1.025 2.943 0.739) 3.203 3.339 ( -2.379 5.176 -3.344) 6.605 3.462 ( 0.105 1.411 -2.604) 2.963 3.914 ( -7.247 10.217 16.875) 21.016 4.854 ( 6.232 0.584 -12.866) 14.308 5.347 ( -1.310 -0.278 1.689) 2.156 5.603 ( -0.254 -4.932 -6.791) 8.397 6.602 ( -1.850 -7.627 11.834) 14.200 7.324 ( 1.459 -9.096 -11.695) 14.888 7.938 ( -5.405 -6.221 9.140) 12.307 8.426 ( 2.634 -6.647 -8.642) 11.216 9.319 ( 2.583 3.336 3.168) 5.276 9.615 ( -4.669 5.274 0.200) 7.047 9.957 ( 1.975 2.140 2.217) 3.660 10.236 ( -0.638 1.371 -3.075) 3.427 12.956 ( -0.231 0.967 2.071) 2.298 12.966 ( -0.102 0.332 3.180) 3.199 13.085 ( 0.885 0.038 -2.838) 2.973 13.272 ( 0.751 1.550 -4.403) 4.728 13.730 ( 0.158 0.040 0.095) 0.189 13.767 ( -0.259 0.064 -0.871) 0.911 ======================= Grid point 154 (77/129) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 2.257 2.381 3.781) 5.006 1.235 ( -1.529 4.820 3.503) 6.151 1.349 ( 2.746 8.960 0.890) 9.414 1.449 ( 0.534 8.628 2.222) 8.925 1.522 ( -0.762 5.728 0.164) 5.781 1.753 ( -2.661 2.432 1.118) 3.774 1.795 ( 0.348 5.112 -4.606) 6.890 1.964 ( 2.571 1.211 -4.687) 5.481 2.190 ( 0.971 9.588 3.742) 10.338 2.248 ( 1.956 11.160 3.590) 11.886 2.322 ( 5.938 7.144 -2.533) 9.629 2.448 ( -2.316 9.368 -1.594) 9.781 2.839 ( -0.694 2.248 -0.058) 2.354 2.867 ( 1.843 2.150 -0.289) 2.846 3.078 ( -7.901 16.133 1.314) 18.012 3.123 ( -1.114 4.101 1.691) 4.573 3.209 ( 1.142 3.283 2.425) 4.238 3.386 ( -2.041 4.395 -3.412) 5.926 3.819 ( -1.764 0.589 15.833) 15.942 4.887 ( 4.224 1.679 -14.007) 14.726 5.366 ( 0.694 -2.429 3.274) 4.136 5.641 ( -0.195 -3.309 -7.110) 7.845 6.744 ( -0.585 -10.136 10.595) 14.674 7.440 ( 0.769 -9.259 -11.403) 14.709 7.987 ( -3.684 -7.713 8.408) 11.990 8.556 ( 4.420 -7.153 -8.358) 11.856 9.292 ( -1.875 4.497 3.976) 6.289 9.488 ( -0.280 5.355 -0.923) 5.441 9.952 ( 1.024 3.143 3.100) 4.532 10.191 ( -0.704 2.061 -3.326) 3.975 12.942 ( -0.582 0.930 2.482) 2.714 12.968 ( -0.338 0.113 2.868) 2.890 13.090 ( 0.664 0.076 -2.638) 2.721 13.246 ( 0.528 1.915 -4.088) 4.545 13.728 ( -0.158 0.214 0.104) 0.286 13.764 ( 0.091 -0.172 -1.062) 1.079 ======================= Grid point 155 (78/129) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 5.011 3.075 2.672) 6.458 1.148 ( 1.229 8.717 8.467) 12.215 1.314 ( 0.680 4.735 -1.520) 5.019 1.352 ( 6.507 8.336 3.781) 11.230 1.459 ( 1.175 4.720 -0.023) 4.864 1.634 ( -5.581 4.624 5.587) 9.151 1.723 ( 0.573 5.447 -1.801) 5.766 1.946 ( 0.247 6.449 -3.121) 7.168 2.079 ( -0.966 4.461 2.126) 5.036 2.128 ( -1.295 7.612 3.525) 8.488 2.294 ( 1.437 8.324 -2.795) 8.898 2.378 ( 9.070 2.355 -6.283) 11.282 2.719 ( -0.027 13.967 5.275) 14.930 2.872 ( 1.427 4.412 0.039) 4.637 2.909 ( 5.154 0.404 -1.090) 5.283 3.056 ( -0.429 4.606 0.942) 4.721 3.181 ( -0.406 2.497 2.509) 3.563 3.286 ( -1.338 4.450 -4.138) 6.222 3.857 ( -0.568 -1.649 13.750) 13.860 4.874 ( 2.478 2.088 -13.705) 14.083 5.443 ( 1.776 -4.197 3.251) 5.598 5.646 ( -0.358 -1.008 -6.927) 7.009 6.872 ( -3.375 -8.340 10.606) 13.908 7.520 ( -1.517 -7.270 -11.640) 13.807 8.073 ( -1.998 -8.033 7.416) 11.113 8.673 ( 2.159 -3.592 -8.330) 9.325 9.177 ( -4.174 3.606 3.739) 6.664 9.474 ( 5.366 3.548 -1.169) 6.538 9.922 ( -0.076 3.553 4.519) 5.749 10.155 ( 0.809 1.806 -3.553) 4.067 12.930 ( -0.447 0.522 2.620) 2.708 12.967 ( -0.795 -0.162 2.676) 2.796 13.087 ( 0.287 0.330 -2.689) 2.725 13.221 ( 0.806 1.680 -3.420) 3.894 13.722 ( -0.217 0.267 -0.007) 0.345 13.769 ( 0.427 -0.363 -1.101) 1.235 ======================= Grid point 159 (79/129) ======================= q-point: ( 0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -3.646 -0.000 3.542) 5.083 1.363 ( 0.914 0.000 -3.113) 3.244 1.503 ( -2.103 -0.000 5.733) 6.107 1.698 ( 3.978 0.000 2.535) 4.717 1.774 ( 2.845 0.000 1.636) 3.282 1.832 ( 0.603 0.000 -1.201) 1.344 1.879 ( -0.530 -0.000 -4.760) 4.790 2.042 ( 3.958 0.000 -8.318) 9.211 2.254 ( 7.022 0.000 4.197) 8.181 2.452 ( 10.709 0.000 -0.470) 10.719 2.466 ( 9.514 0.000 -0.546) 9.530 2.879 ( -3.843 -0.000 2.577) 4.627 2.980 ( -0.599 -0.000 -0.186) 0.627 3.011 ( -0.880 -0.000 -1.312) 1.579 3.136 ( 4.316 0.000 6.828) 8.078 3.223 ( 5.223 0.000 -1.434) 5.417 3.281 ( 0.350 0.000 1.105) 1.159 3.395 ( 5.332 0.000 -1.224) 5.471 4.110 ( 8.079 0.000 9.438) 12.424 4.898 ( 3.259 0.000 -10.579) 11.069 5.442 ( 0.490 0.000 -7.287) 7.304 5.473 ( -8.519 -0.000 2.658) 8.924 6.527 ( -9.961 -0.000 13.710) 16.947 7.141 ( -0.805 -0.000 -13.925) 13.948 7.890 ( -9.048 -0.000 10.091) 13.554 8.273 ( 0.841 0.000 -8.897) 8.936 9.355 ( 2.198 0.000 2.373) 3.235 9.774 ( -2.223 -0.000 1.289) 2.569 9.960 ( 2.777 0.000 1.427) 3.122 10.257 ( 1.358 0.000 -2.796) 3.109 12.970 ( -0.168 -0.000 4.245) 4.248 12.972 ( 0.573 0.000 0.636) 0.856 13.079 ( 0.957 0.000 -3.110) 3.254 13.298 ( 1.400 0.000 -4.448) 4.663 13.721 ( 0.818 0.000 -0.064) 0.821 13.779 ( -0.573 -0.000 -0.513) 0.769 ======================= Grid point 160 (80/129) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -1.762 -0.236 4.077) 4.448 1.348 ( 0.292 2.101 -2.802) 3.514 1.489 ( -1.884 -0.606 5.246) 5.607 1.725 ( 2.058 4.323 1.878) 5.143 1.780 ( 0.479 3.558 -0.063) 3.590 1.831 ( 0.644 0.988 0.019) 1.180 1.866 ( -0.229 -1.178 -3.464) 3.666 2.031 ( -0.690 1.232 -7.690) 7.819 2.357 ( 6.052 2.421 4.590) 7.973 2.564 ( 6.468 3.483 -0.578) 7.369 2.581 ( 11.660 6.604 -1.484) 13.482 2.789 ( -6.293 2.638 2.725) 7.348 2.942 ( -2.593 2.247 0.294) 3.444 2.948 ( -1.326 2.809 -1.096) 3.294 3.183 ( -0.335 -0.061 6.678) 6.686 3.285 ( 1.315 1.322 1.449) 2.361 3.339 ( 3.924 -3.432 -1.757) 5.501 3.454 ( 3.000 0.083 -1.631) 3.416 4.205 ( 3.417 7.022 7.941) 11.137 4.884 ( 1.652 1.491 -9.701) 9.953 5.344 ( -5.873 0.106 1.836) 6.154 5.482 ( 2.060 -3.421 -6.954) 8.019 6.443 ( -7.639 -3.349 13.102) 15.532 7.141 ( 1.998 -3.777 -12.946) 13.633 7.810 ( -6.923 -2.712 9.621) 12.159 8.298 ( 3.191 -2.524 -9.078) 9.948 9.387 ( 2.219 1.400 3.761) 4.586 9.712 ( -4.626 1.816 1.465) 5.181 10.000 ( 2.722 0.886 0.931) 3.011 10.260 ( 0.289 0.399 -3.119) 3.158 12.975 ( -0.354 0.228 3.915) 3.938 12.977 ( 0.195 0.428 0.930) 1.042 13.084 ( 0.704 -0.041 -3.006) 3.087 13.300 ( 0.829 0.510 -4.665) 4.766 13.733 ( 0.692 0.099 -0.026) 0.700 13.768 ( -0.585 0.031 -0.600) 0.838 ======================= Grid point 161 (81/129) ======================= q-point: (-0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.683 -0.323 4.204) 4.271 1.313 ( 0.198 2.464 -2.006) 3.183 1.483 ( -1.312 0.150 4.161) 4.366 1.661 ( -0.149 7.145 1.633) 7.331 1.709 ( -0.206 6.030 -1.300) 6.172 1.818 ( 0.608 2.593 0.546) 2.719 1.875 ( 0.387 -0.087 -2.860) 2.887 1.969 ( -2.093 1.223 -6.072) 6.538 2.387 ( 2.594 4.467 3.325) 6.143 2.535 ( 0.707 8.029 -1.106) 8.136 2.599 ( 3.442 10.324 0.765) 10.910 2.663 ( -0.482 6.034 0.089) 6.053 2.894 ( 0.481 1.053 -0.536) 1.276 2.907 ( 0.474 2.477 -0.664) 2.608 3.166 ( -3.607 -0.185 5.684) 6.734 3.277 ( -0.294 2.822 2.178) 3.577 3.370 ( 0.339 3.094 -2.793) 4.182 3.481 ( 1.060 1.020 -2.016) 2.495 4.032 ( -5.422 14.833 13.409) 20.717 4.907 ( 3.549 -1.015 -12.218) 12.763 5.295 ( -3.075 -2.608 2.166) 4.577 5.558 ( 4.297 -2.434 -7.261) 8.782 6.468 ( -4.368 -8.872 12.279) 15.766 7.223 ( 3.559 -6.127 -11.773) 13.741 7.804 ( -4.141 -5.255 8.816) 11.067 8.390 ( 5.505 -4.578 -8.747) 11.304 9.398 ( 0.758 2.950 4.812) 5.695 9.605 ( -4.341 3.039 0.418) 5.316 10.021 ( 1.898 1.833 1.596) 3.084 10.238 ( -0.375 1.281 -3.471) 3.719 12.969 ( -0.550 0.924 2.561) 2.778 12.974 ( -0.518 0.221 2.407) 2.472 13.087 ( 0.462 -0.197 -2.817) 2.861 13.287 ( 0.452 1.016 -4.670) 4.800 13.737 ( 0.279 0.377 0.108) 0.481 13.760 ( -0.327 -0.113 -0.783) 0.856 ======================= Grid point 162 (82/129) ======================= q-point: (-0.25 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 1.854 -0.242 3.689) 4.135 1.277 ( -0.041 2.674 0.291) 2.690 1.455 ( -0.348 3.407 2.138) 4.037 1.572 ( 0.466 6.016 2.583) 6.564 1.620 ( 0.891 6.759 -1.371) 6.954 1.762 ( -2.456 5.254 0.087) 5.800 1.837 ( -0.771 3.191 -2.845) 4.344 1.941 ( -0.776 -2.175 -3.605) 4.281 2.324 ( -1.699 7.100 1.591) 7.471 2.402 ( -2.135 8.740 1.081) 9.062 2.482 ( 0.675 7.751 -2.808) 8.272 2.568 ( 0.864 10.334 0.016) 10.370 2.877 ( 0.740 2.990 0.287) 3.093 2.911 ( 1.518 0.117 -0.715) 1.682 3.120 ( -3.944 0.575 4.962) 6.364 3.195 ( -0.041 7.857 -0.188) 7.859 3.284 ( -1.408 5.947 0.438) 6.127 3.415 ( -0.886 6.371 -1.894) 6.705 3.882 ( -0.329 5.052 14.861) 15.699 4.909 ( 0.286 -0.265 -12.948) 12.954 5.329 ( 0.334 -3.791 2.209) 4.401 5.622 ( 3.697 -0.482 -6.666) 7.638 6.589 ( -3.250 -11.598 11.222) 16.462 7.332 ( 3.263 -5.973 -11.267) 13.164 7.865 ( -1.459 -6.745 7.647) 10.300 8.535 ( 6.785 -5.454 -7.964) 11.799 9.315 ( -5.210 5.703 3.974) 8.687 9.549 ( 1.336 1.666 0.497) 2.192 10.012 ( 0.268 2.871 2.759) 3.991 10.205 ( 0.381 1.724 -3.757) 4.151 12.952 ( -0.741 0.950 2.295) 2.592 12.966 ( -0.977 0.113 2.797) 2.965 13.089 ( 0.226 -0.229 -2.635) 2.655 13.264 ( 0.290 1.351 -4.369) 4.582 13.733 ( 0.035 0.535 0.213) 0.577 13.758 ( 0.068 -0.350 -0.942) 1.007 ======================= Grid point 163 (83/129) ======================= q-point: (-0.12 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 1.559 -0.581 2.821) 3.275 1.253 ( 0.810 2.420 4.667) 5.320 1.385 ( -1.080 6.504 0.521) 6.613 1.532 ( 2.259 3.524 2.512) 4.882 1.565 ( 1.984 5.274 -0.358) 5.646 1.624 ( -3.939 4.279 3.074) 6.578 1.776 ( -0.598 3.995 -0.079) 4.041 1.951 ( -0.752 -1.277 -4.674) 4.904 2.171 ( -3.263 9.874 3.262) 10.899 2.233 ( -1.961 9.037 1.159) 9.319 2.408 ( 0.044 7.040 -2.005) 7.320 2.478 ( 3.202 1.360 -4.619) 5.782 2.857 ( 2.369 2.563 -0.200) 3.496 2.929 ( 1.086 -0.084 -0.295) 1.129 3.062 ( -1.497 2.418 3.633) 4.614 3.129 ( 5.065 8.702 0.518) 10.082 3.204 ( -1.548 2.210 2.395) 3.608 3.324 ( 1.602 6.294 -2.813) 7.077 3.895 ( 1.113 1.316 12.714) 12.830 4.879 ( -0.050 -0.433 -12.723) 12.730 5.395 ( -0.084 -4.184 1.645) 4.496 5.649 ( 2.621 0.958 -5.479) 6.149 6.706 ( -4.914 -9.859 11.146) 15.671 7.408 ( 1.413 -3.800 -11.419) 12.117 7.973 ( 0.357 -7.099 6.724) 9.785 8.660 ( 3.681 -1.789 -7.985) 8.973 9.169 ( -4.446 3.551 3.799) 6.842 9.573 ( 3.411 0.865 -0.103) 3.520 9.971 ( -1.085 3.206 4.044) 5.274 10.190 ( 1.842 1.581 -3.739) 4.458 12.937 ( -0.572 0.496 2.413) 2.529 12.956 ( -1.162 -0.052 2.712) 2.951 13.086 ( 0.071 0.008 -2.655) 2.656 13.242 ( 0.586 1.136 -3.805) 4.014 13.727 ( 0.018 0.568 0.187) 0.599 13.766 ( 0.360 -0.545 -0.975) 1.174 ======================= Grid point 168 (84/129) ======================= q-point: (-0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.532 -0.000 4.613) 4.644 1.355 ( 0.083 -0.000 -4.399) 4.400 1.469 ( -1.713 -0.000 6.384) 6.610 1.782 ( -0.427 0.000 2.653) 2.687 1.794 ( -1.879 -0.000 0.144) 1.884 1.832 ( -0.415 -0.000 -3.668) 3.691 1.864 ( 2.277 -0.000 -0.236) 2.289 2.001 ( -1.857 -0.000 -5.738) 6.031 2.444 ( 1.494 -0.000 3.562) 3.863 2.646 ( 0.670 -0.000 -2.353) 2.446 2.706 ( -6.428 -0.000 1.984) 6.727 2.800 ( 10.318 0.000 -1.974) 10.505 2.918 ( -1.591 0.000 0.546) 1.682 2.944 ( -1.615 -0.000 -0.066) 1.616 3.156 ( -3.819 -0.000 5.833) 6.972 3.322 ( 0.869 -0.000 2.749) 2.883 3.389 ( 3.989 -0.000 -1.710) 4.340 3.479 ( 1.252 -0.000 -1.021) 1.616 4.318 ( -1.600 -0.000 5.494) 5.722 4.854 ( -1.887 -0.000 -8.338) 8.548 5.252 ( -3.784 -0.000 1.899) 4.234 5.524 ( 7.113 -0.000 -7.381) 10.250 6.336 ( -6.765 -0.000 12.850) 14.522 7.136 ( 5.005 -0.000 -12.285) 13.265 7.729 ( -4.060 -0.000 9.085) 9.951 8.326 ( 5.687 -0.000 -8.994) 10.641 9.439 ( 1.845 -0.000 5.165) 5.485 9.646 ( -5.954 -0.000 1.124) 6.060 10.047 ( 2.139 -0.000 0.978) 2.352 10.256 ( -0.083 -0.000 -3.550) 3.551 12.977 ( -0.583 -0.000 1.746) 1.841 12.983 ( -0.443 -0.000 3.073) 3.105 13.083 ( 0.251 -0.000 -2.972) 2.983 13.300 ( 0.422 -0.000 -4.765) 4.784 13.743 ( 0.489 -0.000 0.032) 0.490 13.758 ( -0.517 -0.000 -0.663) 0.841 ======================= Grid point 170 (85/129) ======================= q-point: (-0.38 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 1.623 -0.270 4.415) 4.712 1.335 ( 0.097 1.442 -3.634) 3.911 1.471 ( -1.121 -0.670 5.635) 5.785 1.723 ( -2.478 4.020 0.903) 4.808 1.742 ( -1.804 2.456 -0.976) 3.200 1.846 ( -0.419 -2.298 -2.359) 3.319 1.877 ( 1.142 2.329 0.521) 2.645 1.941 ( -2.796 1.802 -4.017) 5.215 2.422 ( -4.024 1.185 2.828) 5.059 2.547 ( -7.402 2.308 -1.115) 7.833 2.634 ( -2.302 3.055 -1.876) 4.260 2.849 ( 3.283 7.894 0.527) 8.566 2.913 ( 1.287 0.077 -0.454) 1.367 2.945 ( 1.177 0.584 -0.002) 1.314 3.113 ( -3.787 -0.283 5.398) 6.600 3.309 ( -1.061 2.427 2.240) 3.469 3.379 ( -2.914 1.470 -2.074) 3.867 3.518 ( 2.918 0.269 -1.317) 3.213 4.145 ( -9.736 9.940 9.893) 17.072 4.840 ( -1.925 -3.759 -9.551) 10.443 5.258 ( 2.163 -1.388 0.256) 2.583 5.622 ( 7.579 0.240 -6.967) 10.298 6.327 ( -3.889 -5.995 12.457) 14.361 7.218 ( 7.081 -2.260 -11.308) 13.532 7.735 ( -0.588 -2.579 8.142) 8.561 8.423 ( 7.744 -2.338 -8.317) 11.602 9.448 ( -1.516 3.512 5.137) 6.405 9.559 ( -4.174 -0.696 0.917) 4.329 10.067 ( 0.861 1.063 1.667) 2.157 10.239 ( -0.015 0.693 -3.836) 3.898 12.966 ( -1.136 0.105 0.774) 1.378 12.979 ( -0.818 0.589 4.215) 4.334 13.079 ( -0.047 -0.327 -2.852) 2.871 13.289 ( 0.079 0.456 -4.693) 4.716 13.746 ( 0.131 0.323 0.132) 0.373 13.751 ( -0.168 -0.160 -0.748) 0.783 ======================= Grid point 171 (86/129) ======================= q-point: (-0.25 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.607 -0.379 3.983) 4.046 1.306 ( 0.124 1.840 -1.208) 2.205 1.469 ( -1.473 0.165 4.439) 4.680 1.633 ( -2.037 3.725 -0.183) 4.249 1.687 ( 0.319 3.322 -0.999) 3.484 1.781 ( -6.119 5.089 0.103) 7.959 1.855 ( -1.135 2.164 -0.748) 2.556 1.895 ( -0.150 -1.816 -2.488) 3.083 2.324 ( -6.412 1.714 1.015) 6.714 2.404 ( -6.488 1.946 -0.798) 6.821 2.550 ( -0.637 4.096 -4.442) 6.075 2.711 ( -4.457 12.989 3.076) 14.073 2.899 ( -1.582 0.801 0.715) 1.912 2.949 ( 1.852 1.792 0.225) 2.587 3.071 ( -3.652 0.081 4.352) 5.682 3.261 ( -1.037 2.426 1.605) 3.088 3.287 ( -4.036 2.664 -1.442) 5.046 3.508 ( 1.293 3.854 -3.827) 5.584 3.968 ( -4.158 3.156 13.341) 14.326 4.821 ( -2.473 -2.649 -10.045) 10.678 5.317 ( 2.297 -1.459 -0.402) 2.751 5.696 ( 6.170 2.078 -6.201) 8.992 6.427 ( -1.832 -9.403 11.611) 15.053 7.332 ( 7.293 -1.847 -10.810) 13.170 7.815 ( 2.235 -4.130 6.934) 8.374 8.571 ( 8.445 -3.539 -7.406) 11.776 9.314 ( -6.474 6.114 2.833) 9.344 9.560 ( -0.358 -1.896 2.248) 2.963 10.048 ( -1.091 2.271 2.604) 3.623 10.224 ( 0.918 0.848 -3.852) 4.050 12.946 ( -1.398 0.104 0.948) 1.692 12.967 ( -0.934 0.759 4.141) 4.312 13.077 ( -0.118 -0.560 -2.616) 2.678 13.268 ( -0.151 0.705 -4.397) 4.456 13.742 ( 0.077 0.479 0.201) 0.525 13.753 ( 0.166 -0.333 -0.822) 0.902 ======================= Grid point 172 (87/129) ======================= q-point: (-0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -0.911 -1.117 3.939) 4.195 1.287 ( -0.203 1.282 2.541) 2.854 1.426 ( -3.377 3.372 2.451) 5.365 1.559 ( -3.045 3.276 1.648) 4.767 1.602 ( -6.432 2.699 2.469) 7.399 1.661 ( 2.036 3.276 0.573) 3.899 1.808 ( -1.200 1.335 -0.164) 1.803 1.910 ( -0.555 -1.005 -3.127) 3.331 2.198 ( -5.806 2.915 1.743) 6.726 2.277 ( -5.470 3.592 0.062) 6.545 2.469 ( -5.228 7.305 1.822) 9.166 2.510 ( 2.245 0.730 -7.108) 7.490 2.880 ( -1.267 -0.792 0.576) 1.601 2.939 ( -0.479 1.487 2.295) 2.776 3.048 ( -0.532 -0.411 2.872) 2.950 3.186 ( -3.062 2.002 -0.437) 3.684 3.229 ( -0.789 1.684 1.209) 2.218 3.482 ( 4.080 4.157 -5.038) 7.701 3.954 ( -1.483 -0.286 12.448) 12.540 4.798 ( -1.463 -2.494 -10.531) 10.921 5.359 ( 0.274 -1.906 0.124) 1.929 5.719 ( 4.075 3.717 -5.267) 7.627 6.551 ( -2.126 -8.027 11.313) 14.034 7.415 ( 5.841 0.758 -11.029) 12.503 7.937 ( 3.220 -4.548 6.376) 8.468 8.692 ( 4.640 0.084 -7.835) 9.106 9.158 ( -4.519 3.458 3.615) 6.742 9.592 ( 0.204 -2.421 0.813) 2.562 9.993 ( -2.475 2.568 3.644) 5.099 10.225 ( 1.666 0.676 -3.641) 4.060 12.930 ( -1.088 -0.209 1.300) 1.708 12.955 ( -0.759 0.576 3.824) 3.941 13.076 ( -0.039 -0.432 -2.553) 2.590 13.247 ( 0.082 0.398 -3.936) 3.956 13.737 ( 0.111 0.635 0.310) 0.715 13.761 ( 0.354 -0.555 -0.980) 1.181 ======================= Grid point 178 (88/129) ======================= q-point: (-0.38 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.735 0.000 4.088) 4.154 1.337 ( 0.264 0.000 -3.800) 3.809 1.463 ( -1.630 -0.000 6.324) 6.530 1.689 ( -4.166 -0.000 -0.614) 4.211 1.735 ( -2.018 -0.000 1.812) 2.712 1.817 ( -0.541 -0.000 -4.661) 4.692 1.890 ( -1.902 -0.000 0.333) 1.931 1.898 ( -3.198 -0.000 -1.839) 3.689 2.329 ( -9.084 -0.000 2.962) 9.555 2.427 ( -9.129 -0.000 -1.977) 9.341 2.606 ( -2.559 -0.000 -3.540) 4.368 2.909 ( -0.805 -0.000 0.626) 1.020 2.936 ( -2.389 -0.000 2.339) 3.343 2.973 ( 2.966 0.000 -0.659) 3.038 3.077 ( -2.764 -0.000 3.349) 4.342 3.303 ( -2.580 -0.000 1.438) 2.954 3.321 ( -4.966 -0.000 -0.790) 5.028 3.540 ( -1.105 -0.000 -3.829) 3.986 4.003 ( -17.374 -0.000 14.330) 22.521 4.788 ( 1.197 0.000 -9.815) 9.888 5.303 ( 4.233 0.000 -1.837) 4.615 5.729 ( 7.650 0.000 -6.422) 9.988 6.283 ( -0.297 -0.000 12.467) 12.471 7.306 ( 9.539 0.000 -10.457) 14.154 7.759 ( 3.285 0.000 7.125) 7.846 8.517 ( 9.271 0.000 -7.491) 11.919 9.448 ( -6.836 -0.000 -0.441) 6.850 9.487 ( -1.360 -0.000 6.113) 6.262 10.081 ( -0.745 -0.000 2.068) 2.199 10.235 ( 0.247 0.000 -3.840) 3.848 12.947 ( -1.572 -0.000 0.893) 1.808 12.981 ( -1.006 -0.000 4.432) 4.545 13.066 ( -0.231 -0.000 -2.888) 2.898 13.277 ( -0.372 -0.000 -4.553) 4.568 13.746 ( 0.039 0.000 -1.048) 1.049 13.752 ( 0.099 0.000 0.446) 0.457 ======================= Grid point 179 (89/129) ======================= q-point: (-0.25 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -1.762 -0.158 4.241) 4.595 1.326 ( 0.391 1.123 -1.825) 2.178 1.445 ( -3.323 -0.464 5.826) 6.724 1.612 ( -4.734 0.687 -0.267) 4.791 1.712 ( -4.121 2.840 -0.354) 5.017 1.726 ( -4.446 1.592 1.609) 4.989 1.835 ( -3.897 0.649 -0.886) 4.049 1.882 ( 1.373 -0.628 -3.566) 3.872 2.201 ( -9.076 -1.504 1.696) 9.355 2.275 ( -10.330 -0.928 -1.768) 10.521 2.562 ( -0.127 1.166 -5.375) 5.501 2.777 ( -10.153 11.689 4.322) 16.075 2.884 ( -2.264 0.787 0.929) 2.570 2.987 ( -0.268 1.461 0.291) 1.514 3.038 ( -2.315 -0.509 1.516) 2.814 3.233 ( -4.481 1.533 0.504) 4.763 3.261 ( -3.128 0.330 0.366) 3.166 3.458 ( -8.338 -4.578 -5.081) 10.784 3.867 ( -8.694 -3.936 16.846) 19.362 4.785 ( 2.216 0.738 -10.510) 10.766 5.346 ( 2.148 0.611 -2.221) 3.149 5.806 ( 5.959 1.847 -5.848) 8.551 6.371 ( 3.005 -4.103 11.880) 12.923 7.432 ( 9.906 0.273 -9.925) 14.025 7.859 ( 5.838 -1.231 5.954) 8.429 8.656 ( 9.345 -1.434 -6.683) 11.578 9.298 ( -6.603 5.377 0.854) 8.558 9.499 ( -3.293 -4.007 3.842) 6.455 10.051 ( -2.784 1.352 2.663) 4.083 10.231 ( 0.534 -0.063 -3.627) 3.667 12.926 ( -1.451 -0.063 1.118) 1.833 12.972 ( -1.039 0.530 4.345) 4.499 13.060 ( -0.052 -0.512 -2.647) 2.696 13.256 ( -0.723 0.171 -4.245) 4.310 13.746 ( 0.294 -0.077 -1.038) 1.081 13.754 ( 0.130 0.129 0.368) 0.411 ======================= Grid point 180 (90/129) ======================= q-point: (-0.12 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -3.379 -1.299 5.216) 6.349 1.303 ( -2.113 2.219 3.524) 4.670 1.390 ( -5.643 1.029 1.912) 6.047 1.500 ( -10.001 0.533 6.780) 12.094 1.552 ( -4.007 1.559 -0.926) 4.398 1.719 ( 0.647 1.336 1.051) 1.819 1.775 ( -2.573 -0.278 -1.743) 3.120 1.894 ( -0.034 0.417 -3.544) 3.569 2.100 ( -7.014 -2.000 1.066) 7.371 2.150 ( -9.834 -3.490 0.534) 10.448 2.450 ( -10.541 7.380 2.571) 13.122 2.543 ( 1.960 1.692 -6.876) 7.347 2.828 ( -4.456 -0.852 2.383) 5.124 2.954 ( -0.813 1.618 1.687) 2.475 3.040 ( -0.793 -2.286 -0.954) 2.601 3.153 ( -3.693 0.843 0.790) 3.870 3.215 ( -2.340 -0.659 -0.522) 2.487 3.436 ( -5.675 -8.175 -4.113) 10.768 3.866 ( -6.088 -4.847 15.396) 17.251 4.782 ( 3.104 1.485 -11.400) 11.908 5.348 ( -0.035 0.182 -0.977) 0.994 5.824 ( 3.458 4.099 -5.234) 7.494 6.512 ( 3.749 -3.499 11.326) 12.433 7.528 ( 8.437 2.955 -10.249) 13.600 7.983 ( 5.746 -1.184 5.876) 8.304 8.761 ( 5.125 2.039 -7.844) 9.589 9.146 ( -4.093 3.331 3.276) 6.212 9.519 ( -3.067 -5.446 1.425) 6.410 9.982 ( -4.049 1.769 3.378) 5.562 10.234 ( 0.408 -0.473 -3.402) 3.459 12.914 ( -0.807 -0.339 1.328) 1.591 12.961 ( -0.796 0.542 4.111) 4.223 13.063 ( 0.227 -0.576 -2.456) 2.533 13.234 ( -0.536 -0.263 -3.858) 3.904 13.747 ( 0.114 0.410 0.038) 0.427 13.758 ( 0.340 -0.323 -0.838) 0.960 ======================= Grid point 187 (91/129) ======================= q-point: (-0.25 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -4.737 -0.000 5.951) 7.606 1.340 ( 1.059 0.000 -1.951) 2.220 1.390 ( -5.350 -0.000 6.936) 8.760 1.494 ( -11.859 -0.000 3.150) 12.270 1.614 ( -9.012 -0.000 0.486) 9.025 1.720 ( -3.254 -0.000 0.701) 3.329 1.773 ( -1.094 -0.000 -1.713) 2.033 1.893 ( 2.032 0.000 -5.359) 5.731 2.071 ( -5.792 -0.000 1.303) 5.937 2.078 ( -13.168 -0.000 -0.905) 13.199 2.567 ( 2.095 0.000 -6.438) 6.771 2.746 ( -9.687 -0.000 3.977) 10.472 2.826 ( -7.051 -0.000 0.366) 7.061 2.873 ( -17.380 -0.000 2.913) 17.622 2.998 ( -1.914 -0.000 2.718) 3.324 3.190 ( -3.677 -0.000 -1.317) 3.905 3.207 ( -7.984 -0.000 -2.044) 8.241 3.212 ( -3.100 -0.000 -0.029) 3.100 3.803 ( -2.771 -0.000 14.624) 14.884 4.806 ( 2.891 0.000 -10.652) 11.038 5.365 ( 0.148 0.000 -2.654) 2.658 5.881 ( 3.848 0.000 -5.668) 6.851 6.461 ( 7.273 0.000 11.661) 13.743 7.566 ( 10.216 0.000 -9.407) 13.888 7.974 ( 7.833 0.000 4.915) 9.248 8.774 ( 8.988 0.000 -6.144) 10.887 9.249 ( -5.430 -0.000 -1.358) 5.597 9.399 ( -6.083 -0.000 5.262) 8.043 10.011 ( -4.562 -0.000 3.036) 5.479 10.223 ( -0.258 -0.000 -3.451) 3.461 12.910 ( -0.985 -0.000 1.307) 1.637 12.971 ( -1.066 -0.000 4.501) 4.626 13.052 ( 0.438 0.000 -2.550) 2.588 13.231 ( -1.142 -0.000 -3.947) 4.109 13.749 ( 0.522 0.000 -1.450) 1.541 13.757 ( -0.030 -0.000 0.588) 0.589 ======================= Grid point 188 (92/129) ======================= q-point: (-0.12 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -5.580 -1.652 9.001) 10.718 1.239 ( -14.590 3.818 8.603) 17.363 1.341 ( -6.397 -0.996 3.802) 7.508 1.362 ( -2.054 -2.098 0.665) 3.011 1.465 ( -8.891 0.074 -0.183) 8.893 1.659 ( -5.213 -2.863 -1.708) 6.188 1.778 ( 0.539 0.736 0.365) 0.983 1.899 ( -1.315 1.100 -3.219) 3.647 1.909 ( -8.975 -2.831 1.659) 9.556 2.030 ( -1.579 -1.067 0.234) 1.920 2.374 ( -15.547 9.319 4.262) 18.621 2.577 ( 0.808 2.436 -6.903) 7.365 2.732 ( -4.975 -3.166 0.186) 5.900 2.809 ( -13.868 -16.552 3.095) 21.815 2.963 ( -2.354 1.205 2.067) 3.357 3.106 ( -4.463 2.053 -1.381) 5.103 3.136 ( -3.048 -1.500 -2.026) 3.955 3.234 ( -2.164 -6.586 -2.067) 7.234 3.815 ( -1.564 -0.412 13.646) 13.742 4.818 ( 2.972 0.568 -11.095) 11.501 5.345 ( -1.034 0.447 -0.784) 1.372 5.889 ( 1.014 2.220 -5.516) 6.032 6.617 ( 8.288 -0.132 11.162) 13.904 7.673 ( 8.501 2.510 -10.028) 13.384 8.099 ( 6.948 1.057 5.177) 8.728 8.856 ( 4.877 3.297 -8.142) 10.047 9.143 ( -2.780 3.025 2.432) 4.774 9.369 ( -5.669 -6.764 2.252) 9.108 9.937 ( -5.072 0.673 3.601) 6.257 10.209 ( -1.090 -0.859 -3.350) 3.626 12.905 ( -0.302 -0.268 1.454) 1.509 12.966 ( -0.781 0.315 4.345) 4.426 13.059 ( 0.835 -0.276 -2.316) 2.477 13.207 ( -0.944 -0.535 -3.599) 3.759 13.752 ( 0.105 0.231 -0.459) 0.524 13.757 ( 0.165 -0.158 -0.644) 0.683 ======================= Grid point 196 (93/129) ======================= q-point: (-0.12 -0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -7.763 -0.000 15.061) 16.944 1.062 ( -15.151 -0.000 12.671) 19.751 1.180 ( -9.594 -0.000 1.577) 9.723 1.261 ( -12.772 -0.000 -0.255) 12.774 1.397 ( 1.316 0.000 -1.034) 1.674 1.550 ( -4.904 -0.000 -2.088) 5.330 1.693 ( -8.183 -0.000 10.266) 13.128 1.860 ( 2.781 0.000 -0.277) 2.795 1.953 ( 4.333 0.000 -3.726) 5.714 2.013 ( -0.261 -0.000 -0.905) 0.942 2.167 ( -22.998 -0.000 10.329) 25.211 2.426 ( -10.388 -0.000 -1.763) 10.537 2.613 ( -5.434 -0.000 2.092) 5.822 2.654 ( 4.713 0.000 -8.642) 9.844 2.927 ( -3.843 -0.000 1.725) 4.213 3.049 ( -6.834 -0.000 -5.551) 8.804 3.092 ( -0.908 -0.000 -1.495) 1.749 3.137 ( -2.069 -0.000 -0.084) 2.071 3.845 ( 0.585 0.000 12.427) 12.441 4.832 ( 2.317 0.000 -10.700) 10.948 5.334 ( -0.122 -0.000 1.721) 1.725 5.883 ( -1.679 -0.000 -5.903) 6.137 6.779 ( 8.285 0.000 11.110) 13.859 7.782 ( 6.403 0.000 -11.044) 12.766 8.225 ( 5.892 0.000 4.826) 7.616 8.921 ( 1.854 0.000 -9.904) 10.076 9.155 ( 0.383 0.000 1.405) 1.457 9.221 ( -6.109 -0.000 3.899) 7.247 9.873 ( -4.749 -0.000 4.373) 6.455 10.170 ( -1.847 -0.000 -3.344) 3.821 12.906 ( 0.098 0.000 1.575) 1.578 12.970 ( -0.389 -0.000 4.197) 4.215 13.067 ( 1.062 0.000 -2.149) 2.397 13.180 ( -0.695 -0.000 -3.206) 3.281 13.749 ( -0.621 -0.000 0.191) 0.650 13.758 ( 0.609 0.000 -1.607) 1.719 ======================= Grid point 197 (94/129) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -2.838 -0.000 7.323) 7.853 0.991 ( -1.728 -0.000 1.152) 2.077 1.181 ( 0.377 0.000 10.592) 10.599 1.285 ( 3.891 0.000 3.598) 5.300 1.370 ( -0.513 -0.000 -2.893) 2.938 1.377 ( 0.599 0.000 -6.552) 6.580 1.814 ( -1.514 -0.000 10.470) 10.579 1.849 ( -4.279 -0.000 6.909) 8.127 1.933 ( -0.399 -0.000 -2.820) 2.848 2.015 ( -2.076 -0.000 -9.199) 9.430 2.135 ( 3.561 0.000 2.152) 4.161 2.155 ( 1.607 0.000 1.537) 2.224 2.563 ( 0.219 0.000 -0.467) 0.516 2.583 ( 1.861 0.000 -3.846) 4.272 2.832 ( -2.775 -0.000 0.454) 2.811 2.856 ( 3.504 0.000 -1.933) 4.002 3.082 ( -1.797 -0.000 0.584) 1.890 3.096 ( 2.066 0.000 -0.804) 2.217 4.207 ( -0.729 -0.000 16.729) 16.745 4.545 ( 1.293 0.000 -16.991) 17.040 5.531 ( 5.418 0.000 4.140) 6.819 5.622 ( -5.191 -0.000 -5.408) 7.497 7.253 ( 1.828 0.000 13.724) 13.846 7.527 ( -1.839 -0.000 -14.179) 14.298 8.448 ( 0.279 0.000 8.013) 8.018 8.619 ( -2.800 -0.000 -9.349) 9.760 9.191 ( -1.672 -0.000 2.886) 3.336 9.238 ( 3.688 0.000 -1.963) 4.178 9.932 ( -0.153 -0.000 5.863) 5.865 10.037 ( -0.105 -0.000 -4.799) 4.800 12.965 ( 0.206 0.000 2.736) 2.743 13.021 ( -0.083 -0.000 -2.936) 2.937 13.046 ( -1.150 -0.000 3.514) 3.697 13.113 ( 1.286 0.000 -3.297) 3.539 13.728 ( -0.845 -0.000 0.408) 0.938 13.744 ( 0.851 0.000 -1.137) 1.420 ======================= Grid point 198 (95/129) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 7.941 -2.740 4.962) 9.757 1.064 ( 3.329 -6.533 4.632) 8.673 1.267 ( 6.604 0.417 4.818) 8.185 1.335 ( 0.061 -1.233 -1.979) 2.332 1.360 ( 1.957 -0.926 0.944) 2.362 1.454 ( 5.400 -6.334 -6.307) 10.443 1.749 ( -5.855 -0.726 9.080) 10.829 1.860 ( -2.455 0.733 3.606) 4.424 1.964 ( 2.192 -4.238 0.679) 4.819 1.977 ( -1.306 -2.562 -5.818) 6.490 2.193 ( 3.914 0.481 3.161) 5.054 2.255 ( 10.086 0.835 -3.255) 10.631 2.565 ( -0.990 -3.630 2.563) 4.552 2.717 ( 5.678 -10.101 -5.642) 12.888 2.831 ( 1.879 -0.887 1.031) 2.320 2.933 ( 6.055 0.307 -2.159) 6.436 3.093 ( -0.057 -3.421 -0.510) 3.460 3.143 ( 1.954 -2.377 -0.622) 3.139 4.222 ( -1.947 1.449 17.134) 17.305 4.522 ( 1.621 -0.546 -17.906) 17.987 5.527 ( -4.327 0.752 -5.027) 6.676 5.613 ( 4.600 1.225 3.734) 6.050 7.261 ( -2.763 3.589 13.002) 13.768 7.419 ( -4.341 2.535 -13.397) 14.309 8.425 ( -2.300 4.828 9.172) 10.617 8.542 ( -3.275 -0.184 -7.160) 7.876 9.192 ( -0.144 -0.454 1.797) 1.859 9.329 ( 6.405 -2.862 -3.417) 7.803 9.961 ( 0.585 -1.095 5.668) 5.802 10.039 ( 1.305 -0.941 -4.504) 4.783 12.976 ( 0.111 -0.084 2.805) 2.809 13.011 ( -0.249 0.089 -2.396) 2.410 13.039 ( -1.120 -0.483 2.732) 2.992 13.127 ( 1.365 -0.306 -3.549) 3.814 13.719 ( -0.557 -0.129 0.447) 0.725 13.754 ( 0.907 0.111 -0.952) 1.320 ======================= Grid point 199 (96/129) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 5.927 -1.014 1.333) 6.159 1.229 ( 3.803 -5.718 2.230) 7.221 1.299 ( 2.600 1.394 0.688) 3.029 1.436 ( 5.640 -3.145 -1.069) 6.546 1.473 ( 8.033 -4.236 2.453) 9.407 1.612 ( 4.009 -5.360 -4.117) 7.859 1.713 ( -1.718 0.506 4.894) 5.212 1.822 ( -4.314 -3.024 2.218) 5.716 1.996 ( 0.649 -4.250 -2.633) 5.041 2.056 ( 0.793 -5.163 -0.566) 5.254 2.268 ( 2.631 -1.444 3.446) 4.570 2.376 ( 10.728 3.557 -7.492) 13.560 2.683 ( 2.607 -10.585 4.038) 11.625 2.870 ( 3.206 -2.000 0.045) 3.779 2.969 ( 8.227 -4.815 -1.578) 9.662 3.013 ( 3.976 -3.347 -0.135) 5.199 3.149 ( 0.825 -3.536 -1.528) 3.940 3.204 ( 0.885 -3.077 1.088) 3.382 4.204 ( -2.599 1.951 17.000) 17.308 4.527 ( 3.076 -2.044 -18.425) 18.792 5.451 ( -2.699 0.669 -4.134) 4.983 5.651 ( 2.640 2.669 3.137) 4.892 7.140 ( -6.179 6.475 6.981) 11.350 7.289 ( -4.253 2.826 -7.313) 8.919 8.317 ( -3.176 6.569 6.956) 10.081 8.497 ( -2.270 -1.363 -4.561) 5.274 9.196 ( 0.006 0.342 1.200) 1.248 9.471 ( 6.579 -3.795 -3.030) 8.177 9.995 ( 0.308 -1.062 3.658) 3.822 10.080 ( 2.494 -1.682 -2.419) 3.861 12.982 ( -0.367 0.128 2.361) 2.393 12.999 ( -0.452 0.150 -1.110) 1.208 13.042 ( -0.533 -0.947 2.014) 2.289 13.143 ( 1.477 -0.355 -4.090) 4.363 13.718 ( -0.256 -0.422 0.499) 0.702 13.761 ( 0.721 0.375 -0.771) 1.120 ======================= Grid point 200 (97/129) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 0.732 0.091 2.318) 2.432 1.274 ( 0.989 -0.220 -2.669) 2.855 1.405 ( 4.782 -2.499 3.443) 6.400 1.532 ( 2.305 -1.816 -0.133) 2.937 1.613 ( 2.265 1.405 3.650) 4.519 1.650 ( -0.023 -0.003 0.467) 0.468 1.739 ( 2.360 -3.000 -1.088) 3.969 1.829 ( -0.768 -2.491 -1.791) 3.163 2.097 ( 1.701 -6.421 1.366) 6.781 2.140 ( 1.389 -4.857 -0.664) 5.096 2.319 ( -1.723 -4.238 2.632) 5.278 2.445 ( 8.320 4.866 -6.994) 11.909 2.855 ( 3.281 -3.420 -0.867) 4.818 2.929 ( 1.597 -0.925 0.424) 1.894 3.074 ( 4.275 -2.338 -0.651) 4.916 3.155 ( 2.128 -2.320 1.190) 3.365 3.205 ( 3.057 -3.972 -3.093) 5.889 3.260 ( -0.228 -3.463 5.514) 6.515 4.200 ( -1.241 0.106 15.669) 15.718 4.559 ( 2.976 -1.449 -17.332) 17.645 5.408 ( -1.137 0.135 -2.126) 2.414 5.640 ( 0.532 2.798 1.349) 3.151 6.980 ( -5.602 5.985 7.917) 11.396 7.183 ( -2.214 1.165 -8.146) 8.521 8.216 ( -1.412 4.988 5.846) 7.813 8.482 ( -1.766 -2.591 -4.525) 5.505 9.191 ( 0.057 0.778 0.997) 1.265 9.589 ( 3.966 -1.921 -1.778) 4.752 10.020 ( -0.155 -0.970 3.089) 3.241 10.132 ( 2.255 -1.191 -2.055) 3.275 12.972 ( -0.910 0.407 1.693) 1.965 12.993 ( 0.112 -0.027 -0.721) 0.730 13.054 ( -0.400 -0.821 2.620) 2.775 13.157 ( 1.337 -0.073 -4.507) 4.701 13.725 ( -0.040 -0.690 0.499) 0.853 13.761 ( 0.403 0.621 -0.690) 1.012 ======================= Grid point 201 (98/129) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -2.185 0.442 3.827) 4.429 1.288 ( 0.923 -0.508 -2.605) 2.810 1.480 ( 0.476 -0.466 5.241) 5.284 1.521 ( -2.138 2.325 -0.544) 3.205 1.598 ( -2.254 -0.268 5.752) 6.184 1.675 ( 1.650 -1.011 -1.221) 2.288 1.777 ( 0.146 0.944 -1.846) 2.078 1.838 ( -0.551 -0.650 -0.811) 1.176 2.164 ( -0.187 -0.318 1.186) 1.243 2.195 ( -0.369 -0.445 -0.447) 0.731 2.347 ( -4.864 -5.879 3.219) 8.281 2.456 ( 5.876 6.916 -6.878) 11.386 2.878 ( -0.366 0.810 -0.290) 0.935 2.947 ( -0.252 -0.588 0.227) 0.678 3.132 ( -1.351 1.381 3.677) 4.154 3.152 ( 0.237 0.518 -0.312) 0.649 3.244 ( -0.995 1.080 2.096) 2.560 3.367 ( 4.044 -3.970 -5.306) 7.763 4.236 ( -0.944 -0.550 14.683) 14.724 4.537 ( 0.176 1.818 -14.311) 14.428 5.389 ( -0.650 1.075 0.426) 1.326 5.635 ( 0.868 -1.784 -1.846) 2.709 6.863 ( -3.093 4.347 11.675) 12.836 7.184 ( 3.199 -4.207 -11.815) 12.943 8.177 ( 0.910 2.354 5.612) 6.153 8.489 ( -1.381 -4.018 -5.657) 7.075 9.186 ( 0.302 0.779 1.181) 1.446 9.625 ( 0.483 1.323 -0.533) 1.506 10.024 ( -1.927 -0.412 3.708) 4.199 10.165 ( 1.593 -0.232 -3.150) 3.538 12.959 ( -0.563 0.435 1.781) 1.918 12.997 ( 0.594 -0.096 -1.017) 1.182 13.061 ( -0.812 -0.378 3.340) 3.458 13.160 ( 0.871 0.449 -4.642) 4.744 13.735 ( 0.013 -0.584 0.279) 0.647 13.755 ( 0.142 0.538 -0.599) 0.818 ======================= Grid point 202 (99/129) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -3.517 0.223 4.960) 6.084 1.294 ( -0.519 -0.591 -2.425) 2.549 1.410 ( -6.553 2.643 4.731) 8.503 1.479 ( -2.399 2.506 2.506) 4.280 1.574 ( -3.555 0.279 7.078) 7.926 1.686 ( -2.943 1.466 -3.032) 4.473 1.733 ( 0.698 1.330 -1.051) 1.833 1.831 ( 0.129 0.004 -0.862) 0.871 2.105 ( -2.381 6.728 0.593) 7.162 2.129 ( -2.374 4.654 0.750) 5.278 2.329 ( -7.167 -3.112 4.002) 8.779 2.418 ( 1.879 4.069 -6.724) 8.081 2.843 ( -1.539 3.040 0.551) 3.452 2.939 ( -2.086 -0.783 -0.077) 2.229 3.045 ( -3.675 4.135 1.617) 5.763 3.148 ( -0.771 1.103 1.479) 2.000 3.192 ( -1.970 4.267 -1.454) 4.920 3.366 ( -1.861 4.718 -5.022) 7.137 4.208 ( -5.197 3.650 18.127) 19.207 4.509 ( 2.938 -1.222 -15.413) 15.739 5.368 ( 0.182 1.043 1.695) 1.998 5.692 ( 0.448 -4.720 -3.721) 6.027 6.855 ( 2.278 0.066 12.492) 12.698 7.307 ( 5.824 -6.975 -12.607) 15.541 8.209 ( 2.963 -0.278 5.906) 6.613 8.520 ( -0.785 -5.617 -7.536) 9.432 9.187 ( 0.733 0.666 1.437) 1.745 9.564 ( -3.147 4.590 0.703) 5.609 9.997 ( -2.882 0.061 3.916) 4.863 10.165 ( 0.068 1.018 -3.852) 3.985 12.953 ( -0.100 0.452 2.080) 2.130 13.009 ( 1.080 -0.168 -1.342) 1.731 13.057 ( -1.222 -0.075 3.826) 4.017 13.148 ( 0.371 0.972 -4.521) 4.639 13.738 ( 0.119 0.284 -0.657) 0.726 13.752 ( -0.229 -0.284 0.099) 0.378 ======================= Grid point 203 (100/129) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -3.983 -0.613 5.401) 6.739 1.235 ( -9.692 1.589 1.446) 9.927 1.289 ( -3.683 2.307 3.670) 5.688 1.391 ( -1.926 3.890 1.057) 4.467 1.463 ( -8.304 6.122 6.646) 12.272 1.573 ( -3.257 4.176 -3.464) 6.328 1.765 ( 1.687 -1.991 -0.606) 2.679 1.842 ( -0.062 -0.672 -0.056) 0.677 1.971 ( 0.791 7.598 1.347) 7.757 2.048 ( -0.366 4.044 0.163) 4.064 2.240 ( -8.709 -0.748 5.184) 10.162 2.369 ( -3.673 -0.683 -6.121) 7.171 2.748 ( 0.146 8.010 -2.668) 8.444 2.865 ( -6.329 8.241 0.602) 10.408 2.934 ( -5.825 0.336 1.738) 6.088 3.022 ( -6.171 6.306 -0.688) 8.850 3.119 ( -0.530 2.471 0.971) 2.708 3.239 ( -1.691 5.917 -2.345) 6.586 4.150 ( -2.993 1.367 18.567) 18.856 4.544 ( 3.316 -1.708 -16.275) 16.697 5.383 ( 1.904 0.033 2.902) 3.471 5.728 ( -2.031 -3.508 -4.602) 6.132 6.981 ( 6.116 -2.994 12.516) 14.249 7.449 ( 4.731 -6.176 -12.937) 15.096 8.295 ( 3.663 -2.004 6.430) 7.666 8.579 ( 0.261 -6.756 -9.814) 11.918 9.196 ( 1.192 0.736 1.293) 1.907 9.420 ( -5.819 6.276 2.034) 8.797 9.963 ( -2.366 0.405 4.262) 4.891 10.123 ( -1.344 1.847 -4.198) 4.779 12.953 ( 0.134 0.442 2.380) 2.424 13.024 ( 1.073 -0.100 -2.030) 2.298 13.050 ( -1.142 -0.178 4.238) 4.392 13.125 ( 0.259 1.181 -4.162) 4.334 13.734 ( 0.340 0.306 -1.078) 1.171 13.751 ( -0.673 -0.282 0.320) 0.796 ======================= Grid point 204 (101/129) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -11.168 1.920 6.177) 12.906 1.079 ( -5.140 1.474 -1.008) 5.441 1.216 ( -3.573 2.416 9.262) 10.217 1.274 ( -2.193 7.017 7.614) 10.584 1.365 ( -0.054 -1.020 -3.345) 3.497 1.450 ( -2.579 4.730 -4.448) 6.986 1.802 ( -1.238 -0.219 6.335) 6.459 1.856 ( 1.027 -2.887 0.294) 3.078 1.955 ( 4.189 4.511 -4.475) 7.610 2.015 ( 1.493 1.171 -1.674) 2.530 2.145 ( -6.903 -2.354 6.224) 9.588 2.255 ( -9.451 2.075 -2.412) 9.972 2.611 ( -3.577 8.872 3.659) 10.242 2.643 ( 1.265 7.771 -4.074) 8.865 2.864 ( -3.454 -0.002 -1.578) 3.797 2.901 ( -4.840 1.166 0.517) 5.006 3.089 ( 0.894 2.123 -0.086) 2.305 3.141 ( -1.912 4.048 -0.396) 4.495 4.168 ( -0.759 -0.448 17.326) 17.348 4.559 ( 2.150 -0.694 -16.534) 16.688 5.441 ( 4.108 -0.407 3.968) 5.726 5.700 ( -4.234 -1.547 -5.172) 6.860 7.146 ( 5.324 -2.312 13.148) 14.372 7.536 ( 1.978 -3.727 -13.788) 14.419 8.390 ( 2.371 -2.215 6.758) 7.496 8.638 ( -0.038 -4.511 -10.916) 11.812 9.208 ( 1.487 0.862 0.531) 1.799 9.263 ( -4.840 4.335 2.879) 7.107 9.937 ( -1.477 0.768 5.231) 5.490 10.067 ( -1.215 1.213 -4.555) 4.868 12.957 ( 0.185 0.265 2.597) 2.617 13.028 ( 0.169 0.008 -2.412) 2.418 13.051 ( -0.769 -0.142 3.857) 3.936 13.109 ( 0.848 0.710 -3.681) 3.844 13.736 ( 0.566 0.065 -1.128) 1.263 13.741 ( -0.875 -0.047 0.302) 0.927 ======================= Grid point 206 (102/129) ======================= q-point: ( 0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 6.419 0.000 5.401) 8.389 1.171 ( 10.265 0.000 3.695) 10.910 1.358 ( 3.522 0.000 1.366) 3.778 1.374 ( 4.183 0.000 -2.427) 4.836 1.429 ( 10.903 0.000 0.596) 10.919 1.485 ( 6.887 0.000 -6.625) 9.556 1.686 ( -3.425 -0.000 9.977) 10.548 1.822 ( -3.210 -0.000 0.634) 3.272 1.961 ( 1.398 0.000 -6.699) 6.843 1.970 ( 1.474 0.000 2.289) 2.723 2.334 ( 11.284 0.000 5.740) 12.660 2.358 ( 2.415 0.000 3.656) 4.381 2.624 ( 8.303 0.000 -5.049) 9.718 2.690 ( 6.718 0.000 -5.053) 8.406 2.879 ( 4.106 0.000 2.349) 4.730 3.039 ( 6.753 0.000 -2.959) 7.373 3.090 ( 2.927 0.000 -0.786) 3.030 3.148 ( 1.316 0.000 -1.386) 1.911 4.242 ( -2.836 -0.000 17.271) 17.503 4.495 ( 2.007 0.000 -18.302) 18.411 5.459 ( -3.114 -0.000 -5.098) 5.974 5.691 ( 2.780 0.000 3.924) 4.809 7.257 ( -6.121 -0.000 14.298) 15.553 7.304 ( -6.929 -0.000 -14.743) 16.291 8.434 ( -6.177 -0.000 -6.252) 8.789 8.453 ( -3.260 -0.000 11.485) 11.939 9.209 ( 1.568 0.000 0.083) 1.571 9.411 ( 8.175 0.000 -4.902) 9.532 9.984 ( 0.934 0.000 6.205) 6.275 10.051 ( 2.772 0.000 -4.425) 5.222 12.984 ( -0.100 -0.000 2.483) 2.485 13.004 ( 0.124 0.000 -3.249) 3.252 13.025 ( -1.026 -0.000 3.727) 3.866 13.138 ( 1.658 0.000 -3.827) 4.171 13.712 ( -0.393 -0.000 0.459) 0.604 13.767 ( 0.866 0.000 -0.797) 1.177 ======================= Grid point 207 (103/129) ======================= q-point: ( 0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 3.567 -0.840 -0.376) 3.683 1.257 ( 0.508 -0.336 2.708) 2.775 1.420 ( 8.826 3.062 1.289) 9.430 1.513 ( 6.576 -1.118 2.194) 7.022 1.571 ( 8.521 -1.678 -3.134) 9.232 1.623 ( 6.539 -2.928 -1.673) 7.357 1.723 ( 3.154 -3.191 3.847) 5.910 1.770 ( -1.102 3.109 0.582) 3.349 1.986 ( 3.313 -1.573 -3.045) 4.766 2.021 ( 2.757 -3.066 0.213) 4.129 2.322 ( -0.178 3.949 3.898) 5.551 2.594 ( 12.626 -0.832 -2.522) 12.902 2.683 ( 9.204 1.027 0.612) 9.281 2.896 ( 5.710 -4.684 -1.449) 7.526 2.974 ( 5.346 -5.760 3.101) 8.448 3.105 ( 5.295 2.360 -3.659) 6.855 3.148 ( 3.158 -0.806 -0.564) 3.308 3.185 ( 1.741 -2.494 -0.253) 3.051 4.229 ( -2.980 1.286 17.015) 17.322 4.503 ( 3.841 -1.830 -18.465) 18.949 5.409 ( -1.739 0.132 -4.280) 4.622 5.711 ( -0.071 1.571 3.557) 3.889 7.115 ( -7.430 4.189 -1.674) 8.692 7.198 ( -7.683 -1.041 1.006) 7.818 8.311 ( -5.879 1.758 -2.619) 6.672 8.424 ( -4.875 -1.160 8.007) 9.446 9.228 ( 2.032 1.258 -0.564) 2.455 9.535 ( 7.674 -1.520 -4.887) 9.224 10.010 ( 0.468 0.089 5.526) 5.546 10.099 ( 3.406 -0.981 -3.210) 4.782 12.981 ( -0.666 0.236 1.619) 1.766 12.998 ( 0.395 0.266 -2.300) 2.349 13.032 ( -0.143 -0.652 3.752) 3.811 13.156 ( 1.876 -0.043 -4.418) 4.800 13.711 ( -0.185 -0.294 0.480) 0.593 13.774 ( 0.534 0.267 -0.689) 0.911 ======================= Grid point 208 (104/129) ======================= q-point: ( 0.38 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -1.493 0.669 2.753) 3.202 1.269 ( 0.836 -0.620 -1.876) 2.146 1.498 ( 4.590 2.057 1.661) 5.297 1.597 ( 4.130 2.544 0.459) 4.872 1.638 ( 0.868 0.299 3.786) 3.896 1.716 ( 2.033 4.283 0.182) 4.744 1.757 ( 4.986 -1.911 -4.225) 6.809 1.813 ( 2.704 -1.187 -0.231) 2.962 2.096 ( 5.736 -3.288 1.072) 6.698 2.145 ( 7.008 -2.623 0.053) 7.483 2.281 ( -1.070 1.503 2.945) 3.475 2.672 ( 9.964 8.188 -5.281) 13.936 2.865 ( 4.683 -3.194 -1.092) 5.773 2.951 ( 1.083 0.606 0.960) 1.569 3.123 ( 2.508 0.625 -0.402) 2.616 3.183 ( 6.757 -5.679 -0.070) 8.827 3.195 ( 2.472 -0.781 -1.604) 3.049 3.252 ( 1.996 -1.383 3.611) 4.352 4.226 ( -1.093 0.320 15.633) 15.675 4.549 ( 4.283 -1.316 -17.411) 17.979 5.380 ( -1.044 -0.477 -2.617) 2.858 5.668 ( -2.641 2.486 2.345) 4.319 6.963 ( -6.340 2.865 3.805) 7.930 7.102 ( -5.317 -1.910 -4.467) 7.203 8.209 ( -4.485 0.378 -0.762) 4.565 8.392 ( -4.992 -2.999 4.640) 7.446 9.235 ( 2.467 2.448 -0.458) 3.505 9.637 ( 4.947 -0.330 -3.854) 6.280 10.022 ( -0.567 0.224 5.172) 5.208 10.151 ( 2.741 -0.688 -2.912) 4.057 12.971 ( -0.410 0.446 1.336) 1.467 12.999 ( 0.789 0.155 -1.828) 1.997 13.049 ( -0.180 -0.491 3.885) 3.920 13.170 ( 1.676 0.260 -4.873) 5.160 13.717 ( 0.034 -0.583 0.451) 0.738 13.772 ( 0.133 0.524 -0.678) 0.867 ======================= Grid point 209 (105/129) ======================= q-point: (-0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -3.216 0.795 3.944) 5.151 1.278 ( -0.050 -0.381 -1.724) 1.766 1.522 ( 0.902 2.043 3.266) 3.956 1.542 ( -1.645 5.296 0.341) 5.556 1.639 ( 1.132 3.497 4.031) 5.455 1.729 ( 4.702 3.154 -2.128) 6.049 1.793 ( 0.951 1.395 -2.487) 3.006 1.839 ( 0.361 0.437 0.521) 0.770 2.204 ( 4.344 0.570 1.843) 4.753 2.224 ( 1.655 2.112 1.487) 3.067 2.282 ( 1.768 0.751 1.454) 2.409 2.653 ( 4.930 10.432 -4.853) 12.517 2.884 ( -0.329 1.236 -0.612) 1.418 2.941 ( -1.002 1.045 0.663) 1.592 3.152 ( 0.742 0.871 3.341) 3.531 3.190 ( 1.125 3.192 -0.437) 3.413 3.272 ( 1.419 1.915 -0.180) 2.390 3.364 ( 4.584 -4.351 -3.602) 7.275 4.260 ( -0.381 0.181 14.478) 14.484 4.541 ( 1.457 2.694 -14.653) 14.969 5.379 ( -0.516 -1.076 -0.321) 1.236 5.605 ( -2.628 -0.353 -0.456) 2.691 6.870 ( -4.297 0.837 10.666) 11.529 7.105 ( 0.499 -7.025 -11.153) 13.190 8.169 ( -2.299 -2.250 0.877) 3.334 8.380 ( -4.450 -4.767 1.295) 6.649 9.239 ( 3.057 3.016 0.014) 4.295 9.662 ( 1.028 2.432 -2.550) 3.670 10.011 ( -1.523 0.823 5.035) 5.324 10.179 ( 1.384 0.134 -3.417) 3.689 12.966 ( 0.093 0.498 1.516) 1.599 13.008 ( 1.185 0.047 -1.853) 2.200 13.056 ( -0.689 -0.023 4.220) 4.275 13.172 ( 1.161 0.769 -5.019) 5.209 13.728 ( 0.079 -0.620 0.351) 0.717 13.762 ( -0.108 0.606 -0.737) 0.960 ======================= Grid point 210 (106/129) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -3.215 0.874 5.309) 6.268 1.266 ( -1.332 0.071 -2.315) 2.672 1.405 ( -3.579 7.182 3.009) 8.570 1.515 ( -0.994 3.409 2.296) 4.229 1.598 ( -0.649 4.331 5.659) 7.156 1.706 ( 0.419 6.502 -3.577) 7.433 1.774 ( 2.008 1.470 -1.466) 2.888 1.833 ( -0.099 0.434 0.059) 0.449 2.194 ( 0.904 5.214 1.026) 5.391 2.208 ( 2.244 7.108 1.247) 7.558 2.260 ( -1.023 3.459 3.251) 4.856 2.518 ( -1.330 10.656 -3.892) 11.423 2.866 ( -0.088 1.283 -0.001) 1.286 2.902 ( -2.512 0.719 0.381) 2.640 3.091 ( -0.565 7.289 0.320) 7.318 3.182 ( 1.508 2.273 1.649) 3.187 3.234 ( -0.859 5.258 -2.746) 5.993 3.387 ( -0.984 3.358 -3.818) 5.178 4.229 ( -5.154 4.144 18.677) 19.813 4.511 ( 3.992 0.287 -16.382) 16.864 5.383 ( 0.333 -0.215 1.848) 1.890 5.607 ( -1.864 -4.595 -3.309) 5.961 6.886 ( 0.553 -3.419 11.693) 12.195 7.222 ( 2.559 -9.867 -12.118) 15.835 8.204 ( -0.293 -4.559 3.757) 5.915 8.395 ( -2.946 -6.433 -3.158) 7.748 9.249 ( 3.709 3.199 0.445) 4.918 9.585 ( -3.390 5.337 -1.055) 6.410 9.989 ( -0.792 1.369 4.549) 4.816 10.168 ( -0.421 1.298 -3.815) 4.051 12.967 ( 0.332 0.542 1.838) 1.944 13.022 ( 1.270 -0.063 -2.288) 2.618 13.052 ( -0.995 0.298 4.757) 4.869 13.159 ( 0.712 1.229 -4.882) 5.084 13.735 ( -0.094 -0.346 0.195) 0.408 13.751 ( -0.146 0.433 -0.757) 0.884 ======================= Grid point 211 (107/129) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -2.193 1.170 6.448) 6.910 1.189 ( -3.266 6.449 -0.351) 7.237 1.298 ( -0.887 2.930 2.001) 3.658 1.399 ( -5.037 5.392 0.629) 7.405 1.519 ( -1.370 8.060 6.544) 10.472 1.613 ( 1.069 6.485 -4.581) 8.011 1.798 ( 1.627 0.090 0.879) 1.852 1.824 ( 0.171 0.201 -1.188) 1.217 2.120 ( 0.324 6.904 1.081) 6.995 2.133 ( 3.738 8.640 1.983) 9.620 2.190 ( -2.148 4.536 1.935) 5.379 2.339 ( -4.160 7.254 -3.700) 9.144 2.821 ( -1.215 3.856 -0.332) 4.057 2.861 ( -2.810 0.124 0.788) 2.921 2.966 ( 0.747 11.508 -2.402) 11.780 3.045 ( -6.209 10.622 0.262) 12.307 3.173 ( 1.515 3.520 1.826) 4.245 3.286 ( -1.664 5.544 -2.993) 6.516 4.167 ( -3.514 1.167 19.629) 19.975 4.536 ( 3.899 -0.503 -17.717) 18.148 5.420 ( 2.473 -1.116 3.437) 4.379 5.622 ( -3.077 -4.054 -4.704) 6.931 7.022 ( 3.270 -6.409 11.636) 13.681 7.353 ( 1.163 -9.218 -12.403) 15.497 8.283 ( -0.975 -5.461 8.156) 9.864 8.457 ( 0.663 -7.740 -8.792) 11.732 9.266 ( 3.941 3.367 0.750) 5.237 9.427 ( -5.563 6.726 0.017) 8.728 9.975 ( 0.185 1.863 4.546) 4.916 10.117 ( -1.434 2.111 -4.107) 4.835 12.969 ( 0.204 0.567 2.264) 2.343 13.028 ( 0.113 0.026 -1.906) 1.910 13.050 ( -0.207 0.203 3.966) 3.976 13.139 ( 0.657 1.342 -4.498) 4.740 13.736 ( -0.292 -0.107 0.164) 0.351 13.743 ( 0.012 0.232 -0.816) 0.848 ======================= Grid point 212 (108/129) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -2.007 6.492 6.541) 9.432 1.114 ( 3.720 5.579 -2.732) 7.241 1.231 ( -2.359 4.075 8.572) 9.780 1.331 ( 0.395 -1.006 -0.832) 1.364 1.402 ( -0.628 7.658 3.443) 8.419 1.518 ( 2.252 8.541 -6.195) 10.789 1.791 ( -3.152 -0.998 6.180) 7.009 1.856 ( 2.299 0.033 -0.031) 2.300 2.024 ( -1.360 6.398 0.384) 6.552 2.097 ( 1.281 5.709 -6.074) 8.433 2.137 ( 2.646 2.555 3.824) 5.306 2.191 ( -1.776 3.331 -1.892) 4.223 2.694 ( -3.543 10.702 5.627) 12.599 2.782 ( 2.242 6.984 -3.265) 8.029 2.850 ( -1.316 2.533 1.707) 3.326 2.905 ( 2.024 5.369 -3.731) 6.844 3.151 ( 1.555 3.662 0.954) 4.092 3.178 ( -1.418 5.410 -1.917) 5.912 4.183 ( -1.818 -1.330 18.122) 18.262 4.542 ( 2.499 0.028 -17.920) 18.093 5.503 ( 4.084 -1.920 4.241) 6.193 5.595 ( -3.907 -1.979 -5.382) 6.939 7.177 ( 1.148 -5.692 12.475) 13.761 7.430 ( -1.128 -6.734 -13.296) 14.947 8.358 ( -2.066 -5.893 9.259) 11.168 8.548 ( 1.200 -5.116 -10.062) 11.352 9.246 ( -3.216 3.874 3.441) 6.098 9.304 ( 3.656 4.465 -2.485) 6.283 9.965 ( 0.297 2.130 5.308) 5.727 10.062 ( -0.481 1.702 -4.550) 4.882 12.971 ( 0.066 0.389 2.662) 2.692 13.021 ( -0.363 0.005 -1.525) 1.568 13.051 ( -0.522 0.376 2.644) 2.721 13.125 ( 1.057 0.871 -3.927) 4.159 13.729 ( -0.643 0.065 0.432) 0.777 13.744 ( 0.631 0.010 -1.057) 1.232 ======================= Grid point 215 (109/129) ======================= q-point: ( 0.25 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -2.358 -0.000 3.093) 3.889 1.261 ( 3.024 0.000 -3.234) 4.428 1.549 ( 3.499 0.000 0.792) 3.587 1.632 ( 2.790 0.000 2.409) 3.686 1.640 ( 9.341 0.000 3.881) 10.115 1.713 ( 6.856 0.000 -6.442) 9.407 1.775 ( 3.962 0.000 0.106) 3.964 1.796 ( 1.677 0.000 -2.732) 3.206 2.044 ( 6.884 0.000 -0.156) 6.886 2.100 ( 10.303 0.000 -0.208) 10.305 2.354 ( -0.351 -0.000 3.417) 3.435 2.764 ( 12.404 0.000 1.785) 12.532 2.873 ( 5.216 0.000 -2.057) 5.607 2.941 ( 6.972 0.000 -0.631) 7.001 3.013 ( 5.535 0.000 4.974) 7.442 3.153 ( 0.525 0.000 -3.654) 3.692 3.207 ( 5.058 0.000 -0.487) 5.081 3.224 ( 4.832 0.000 -0.272) 4.840 4.238 ( -2.363 -0.000 16.838) 17.003 4.515 ( 5.932 0.000 -18.531) 19.457 5.380 ( -1.030 -0.000 -3.966) 4.098 5.705 ( -3.367 -0.000 3.550) 4.893 7.018 ( -5.603 -0.000 -15.924) 16.881 7.064 ( -10.774 -0.000 14.715) 18.238 8.220 ( -4.900 -0.000 -7.054) 8.589 8.340 ( -8.453 -0.000 12.573) 15.150 9.278 ( 3.295 0.000 -0.517) 3.335 9.626 ( 6.862 0.000 -5.641) 8.883 10.028 ( -0.392 -0.000 6.372) 6.384 10.139 ( 3.549 0.000 -3.335) 4.870 12.978 ( -0.407 -0.000 1.274) 1.338 13.002 ( 0.890 0.000 -3.246) 3.366 13.040 ( 0.133 0.000 5.141) 5.143 13.174 ( 2.003 0.000 -5.020) 5.405 13.709 ( 0.050 0.000 0.436) 0.439 13.779 ( 0.119 0.000 -0.634) 0.645 ======================= Grid point 216 (110/129) ======================= q-point: ( 0.38 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -3.233 0.198 3.452) 4.733 1.284 ( 1.433 0.479 -3.278) 3.609 1.574 ( 1.374 1.581 2.246) 3.071 1.666 ( 2.086 2.652 1.734) 3.793 1.721 ( 3.298 2.561 0.215) 4.181 1.771 ( 2.343 0.041 -4.924) 5.453 1.822 ( 1.950 -0.975 0.133) 2.184 1.843 ( 5.530 0.838 -3.647) 6.677 2.185 ( 8.969 -1.031 2.355) 9.330 2.279 ( 11.402 0.059 -0.940) 11.441 2.347 ( 2.595 4.453 4.010) 6.530 2.889 ( 4.452 5.798 -0.798) 7.353 2.908 ( 3.933 0.471 -1.187) 4.135 2.975 ( 0.547 0.846 -0.216) 1.030 3.153 ( 1.805 -0.126 0.245) 1.826 3.192 ( 6.113 -5.197 1.504) 8.164 3.270 ( 4.431 1.278 0.982) 4.715 3.294 ( 3.716 -0.191 0.091) 3.722 4.261 ( 0.413 0.115 14.917) 14.923 4.574 ( 6.452 -0.196 -17.150) 18.325 5.354 ( -0.957 -0.063 -3.144) 3.287 5.633 ( -5.973 0.955 2.989) 6.747 6.895 ( -6.218 1.177 -0.096) 6.329 6.962 ( -6.722 -3.451 -1.211) 7.653 8.136 ( -3.478 0.212 -5.057) 6.141 8.258 ( -8.599 -3.662 8.964) 12.950 9.320 ( 4.001 2.113 0.402) 4.543 9.696 ( 3.893 0.355 -5.090) 6.418 10.031 ( -0.864 0.462 6.017) 6.096 10.178 ( 2.324 -0.106 -3.167) 3.930 12.977 ( 0.076 0.249 1.151) 1.180 13.009 ( 1.171 0.038 -2.887) 3.116 13.056 ( -0.077 -0.016 5.211) 5.211 13.187 ( 1.666 0.288 -5.442) 5.699 13.715 ( 0.350 -0.273 0.331) 0.553 13.775 ( -0.254 0.263 -0.613) 0.714 ======================= Grid point 217 (111/129) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -2.751 0.480 4.083) 4.946 1.276 ( -0.141 0.881 -2.768) 2.909 1.569 ( 0.102 2.284 3.334) 4.043 1.628 ( 1.954 6.610 0.118) 6.894 1.705 ( 0.276 3.459 -0.263) 3.480 1.794 ( 2.005 0.354 -2.926) 3.565 1.841 ( -0.097 -0.113 0.315) 0.348 1.872 ( 2.787 3.743 -3.617) 5.904 2.310 ( 5.725 2.489 4.441) 7.661 2.344 ( 6.534 6.276 2.719) 9.459 2.401 ( 7.081 3.601 -0.575) 7.965 2.816 ( -1.241 9.260 -0.804) 9.377 2.897 ( -0.578 1.544 -0.397) 1.696 2.946 ( -1.445 2.244 -0.015) 2.669 3.200 ( 3.640 0.638 1.597) 4.026 3.254 ( 1.647 2.692 0.203) 3.162 3.319 ( 1.430 1.191 -1.319) 2.281 3.378 ( 4.387 -2.539 -0.470) 5.090 4.310 ( 0.888 1.429 13.523) 13.627 4.584 ( 3.475 3.857 -14.571) 15.468 5.353 ( 0.245 -1.687 -1.747) 2.441 5.536 ( -5.886 -0.554 0.902) 5.981 6.813 ( -5.897 -1.768 11.133) 12.722 6.971 ( -0.065 -7.738 -12.028) 14.302 8.097 ( -2.545 -2.395 0.522) 3.533 8.227 ( -5.827 -5.884 1.585) 8.432 9.349 ( 4.617 3.492 1.326) 5.938 9.692 ( -0.681 2.508 -3.624) 4.460 10.025 ( -0.171 1.096 5.219) 5.336 10.191 ( 0.651 0.448 -3.517) 3.605 12.980 ( 0.355 0.353 1.283) 1.378 13.020 ( 1.190 -0.055 -2.731) 2.979 13.063 ( -0.494 0.385 5.378) 5.415 13.187 ( 1.149 0.744 -5.548) 5.714 13.726 ( 0.399 -0.279 0.223) 0.536 13.763 ( -0.403 0.387 -0.628) 0.841 ======================= Grid point 218 (112/129) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -1.001 0.953 4.524) 4.730 1.248 ( -0.842 0.739 -2.990) 3.193 1.503 ( 0.059 8.117 1.876) 8.331 1.573 ( 0.269 6.236 0.079) 6.243 1.650 ( -0.744 3.534 4.069) 5.440 1.792 ( -0.869 3.549 -2.832) 4.622 1.803 ( 0.583 2.429 -0.049) 2.499 1.853 ( 1.392 1.312 -4.214) 4.628 2.319 ( 3.735 6.832 4.542) 9.014 2.356 ( 4.632 8.135 0.223) 9.363 2.397 ( 4.087 8.477 1.622) 9.550 2.620 ( -4.629 11.266 -1.505) 12.272 2.869 ( -0.943 0.842 0.609) 1.403 2.890 ( -1.623 1.914 -0.201) 2.518 3.195 ( 1.287 5.583 0.208) 5.734 3.260 ( 3.327 2.910 1.745) 4.752 3.280 ( -1.304 4.783 -2.057) 5.367 3.406 ( -0.610 2.324 -2.648) 3.575 4.264 ( -5.152 5.743 18.577) 20.115 4.560 ( 5.428 2.584 -17.019) 18.050 5.383 ( 0.696 -1.543 1.516) 2.272 5.501 ( -2.780 -4.319 -3.110) 6.004 6.838 ( -2.192 -6.483 12.182) 13.973 7.080 ( 1.819 -9.991 -12.706) 16.266 8.121 ( -3.446 -5.687 7.742) 10.206 8.255 ( -0.197 -6.830 -7.055) 9.822 9.375 ( 4.950 4.163 2.137) 6.811 9.591 ( -4.534 5.016 -2.195) 7.109 10.026 ( 1.012 1.678 4.414) 4.829 10.167 ( -0.816 1.396 -3.942) 4.261 12.983 ( 0.225 0.409 1.618) 1.684 13.029 ( 0.505 -0.024 -2.327) 2.381 13.062 ( -0.367 0.576 5.059) 5.105 13.174 ( 0.796 1.145 -5.409) 5.586 13.733 ( 0.160 -0.046 0.239) 0.291 13.751 ( -0.288 0.311 -0.699) 0.817 ======================= Grid point 219 (113/129) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.776 1.687 4.599) 4.960 1.221 ( 0.223 0.939 -3.914) 4.032 1.394 ( 0.497 8.878 3.298) 9.484 1.451 ( 0.213 8.959 -2.196) 9.227 1.605 ( -0.881 5.404 6.842) 8.763 1.713 ( 0.740 4.681 -4.029) 6.220 1.780 ( -2.005 1.022 1.884) 2.935 1.854 ( 2.075 0.142 -5.690) 6.059 2.249 ( 0.421 9.311 2.234) 9.585 2.280 ( 1.994 8.282 -1.025) 8.581 2.332 ( 2.596 10.651 3.527) 11.516 2.400 ( -2.812 10.352 -3.175) 11.188 2.844 ( -0.531 1.668 0.617) 1.856 2.858 ( 1.109 1.530 -0.683) 2.009 3.106 ( -5.247 11.540 1.546) 12.771 3.129 ( 1.823 7.554 -0.613) 7.795 3.262 ( 1.956 4.156 2.740) 5.348 3.320 ( -1.822 4.888 -3.295) 6.170 4.179 ( -4.270 2.094 20.149) 20.703 4.565 ( 4.739 1.924 -18.807) 19.490 5.434 ( 0.880 -3.092 3.857) 5.021 5.521 ( -0.633 -3.305 -5.240) 6.227 6.963 ( -0.909 -9.436 11.920) 15.230 7.203 ( 0.993 -9.227 -12.585) 15.637 8.170 ( -4.729 -7.378 10.136) 13.399 8.371 ( 4.957 -7.171 -10.276) 13.476 9.375 ( -1.211 5.121 4.262) 6.771 9.449 ( 0.369 5.582 -3.093) 6.392 10.028 ( 1.049 2.273 4.469) 5.123 10.116 ( -0.917 2.025 -4.321) 4.859 12.983 ( -0.136 0.426 2.130) 2.176 13.023 ( -0.432 0.168 -0.873) 0.988 13.063 ( -0.096 0.477 3.153) 3.190 13.155 ( 0.779 1.235 -5.049) 5.256 13.733 ( -0.144 0.218 0.393) 0.472 13.745 ( 0.114 0.054 -0.820) 0.830 ======================= Grid point 220 (114/129) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 2.950 3.922 2.654) 5.579 1.230 ( 3.226 -0.060 -3.488) 4.752 1.301 ( 0.456 6.903 2.515) 7.361 1.399 ( 6.397 5.664 0.317) 8.550 1.505 ( -0.896 8.009 4.969) 9.467 1.656 ( 2.290 5.873 -4.983) 8.035 1.739 ( -3.343 -0.271 4.313) 5.463 1.870 ( 0.635 -0.258 -3.757) 3.819 2.122 ( -1.272 9.149 1.795) 9.410 2.158 ( -3.516 9.262 -1.338) 9.997 2.245 ( 4.730 3.259 -2.329) 6.198 2.295 ( 4.022 7.390 -0.786) 8.450 2.798 ( -0.556 6.449 2.428) 6.914 2.880 ( 1.897 1.254 -0.852) 2.429 2.907 ( 2.369 8.209 2.599) 8.930 3.057 ( 3.252 8.460 -0.556) 9.081 3.218 ( -1.411 4.485 -2.831) 5.488 3.234 ( 1.116 4.398 2.586) 5.222 4.175 ( -2.708 -1.130 18.265) 18.499 4.553 ( 3.504 1.821 -18.806) 19.216 5.479 ( -2.394 -2.987 -1.193) 4.010 5.562 ( 3.246 -2.114 0.015) 3.874 7.088 ( -3.454 -8.662 10.875) 14.325 7.285 ( -0.815 -6.866 -11.493) 13.412 8.238 ( -3.293 -8.017 9.050) 12.531 8.497 ( 3.268 -3.838 -9.178) 10.471 9.244 ( -4.445 3.778 2.725) 6.439 9.445 ( 5.803 4.867 -1.595) 7.740 10.012 ( -0.264 2.417 3.863) 4.565 10.080 ( 1.301 1.837 -3.378) 4.060 12.981 ( -0.302 0.224 2.518) 2.546 13.010 ( -0.701 0.079 -0.677) 0.978 13.057 ( -0.487 0.753 2.032) 2.221 13.143 ( 1.093 0.840 -4.431) 4.641 13.726 ( -0.262 0.384 0.479) 0.667 13.749 ( 0.547 -0.240 -0.829) 1.022 ======================= Grid point 224 (115/129) ======================= q-point: ( 0.38 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -2.845 -0.000 4.308) 5.162 1.292 ( 0.364 0.000 -4.096) 4.112 1.600 ( -0.202 -0.000 3.929) 3.934 1.745 ( 3.836 0.000 1.736) 4.211 1.755 ( 0.746 0.000 -6.863) 6.904 1.796 ( 1.815 0.000 -0.737) 1.959 1.822 ( 0.279 0.000 0.658) 0.715 1.920 ( 3.465 0.000 -3.436) 4.880 2.332 ( 9.163 0.000 3.459) 9.794 2.444 ( 9.624 0.000 -1.857) 9.802 2.466 ( 7.151 0.000 2.090) 7.450 2.912 ( -2.063 -0.000 0.954) 2.273 2.972 ( -0.961 -0.000 -0.445) 1.059 2.982 ( 0.106 0.000 -1.371) 1.375 3.193 ( 4.376 0.000 -1.973) 4.800 3.263 ( 5.760 0.000 4.870) 7.543 3.317 ( 0.038 0.000 3.727) 3.727 3.364 ( 4.881 0.000 -1.797) 5.201 4.326 ( 3.274 0.000 12.471) 12.893 4.641 ( 6.845 0.000 -15.430) 16.880 5.332 ( -0.369 -0.000 -3.963) 3.980 5.534 ( -8.484 -0.000 3.665) 9.242 6.801 ( -10.657 -0.000 14.282) 17.820 6.847 ( 0.254 0.000 -15.778) 15.780 8.096 ( -0.051 -0.000 -9.250) 9.250 8.107 ( -9.849 -0.000 11.845) 15.405 9.402 ( 4.267 0.000 2.211) 4.806 9.725 ( 0.800 0.000 -4.997) 5.060 10.041 ( -0.082 -0.000 5.549) 5.549 10.196 ( 1.070 0.000 -3.333) 3.501 12.985 ( 0.302 0.000 1.052) 1.094 13.020 ( 1.131 0.000 -2.865) 3.081 13.068 ( -0.228 -0.000 5.546) 5.550 13.197 ( 1.307 0.000 -5.776) 5.922 13.722 ( 0.670 0.000 0.159) 0.688 13.769 ( -0.528 -0.000 -0.515) 0.738 ======================= Grid point 225 (116/129) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -1.214 0.128 4.891) 5.041 1.274 ( -0.437 0.779 -4.379) 4.469 1.597 ( -0.782 0.849 5.183) 5.310 1.729 ( -0.412 2.101 -5.299) 5.715 1.758 ( 3.285 4.943 0.652) 5.971 1.818 ( 0.015 0.940 0.185) 0.958 1.841 ( 1.472 -1.115 0.154) 1.853 1.921 ( -0.221 2.076 -3.294) 3.900 2.443 ( 5.126 2.153 4.183) 6.958 2.535 ( 5.193 3.072 -2.238) 6.436 2.573 ( 10.317 4.582 0.433) 11.297 2.836 ( -6.699 2.995 2.020) 7.611 2.921 ( -0.336 3.328 -1.478) 3.657 2.946 ( -2.452 1.843 0.080) 3.069 3.269 ( 3.727 0.206 -0.812) 3.820 3.307 ( 0.147 0.105 0.873) 0.891 3.340 ( 1.742 0.578 4.203) 4.586 3.417 ( 2.695 0.077 -1.786) 3.234 4.396 ( 2.135 2.703 11.226) 11.743 4.660 ( 3.429 3.362 -12.942) 13.804 5.343 ( 2.284 -1.070 -3.638) 4.427 5.419 ( -7.527 -1.525 2.381) 8.041 6.705 ( -8.025 -2.797 13.584) 16.023 6.868 ( 3.153 -4.669 -14.506) 15.562 8.013 ( -7.066 -2.047 10.324) 12.677 8.114 ( 2.029 -3.041 -9.158) 9.861 9.461 ( 4.269 1.827 3.614) 5.884 9.685 ( -3.012 1.808 -3.750) 5.138 10.058 ( 1.131 0.631 4.511) 4.693 10.191 ( -0.179 0.422 -3.828) 3.855 12.990 ( 0.158 0.134 1.163) 1.181 13.028 ( 0.763 -0.034 -2.602) 2.711 13.075 ( -0.500 0.309 5.580) 5.611 13.196 ( 0.917 0.427 -5.812) 5.899 13.733 ( 0.664 0.015 0.072) 0.668 13.758 ( -0.597 0.142 -0.453) 0.763 ======================= Grid point 226 (117/129) ======================= q-point: (-0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 0.603 0.304 4.600) 4.650 1.244 ( -0.117 1.046 -4.405) 4.529 1.580 ( -0.395 2.659 4.770) 5.475 1.657 ( -0.734 5.126 -3.193) 6.083 1.720 ( -0.474 5.122 3.840) 6.419 1.799 ( 0.992 2.277 -3.000) 3.895 1.847 ( -0.318 2.158 -0.060) 2.182 1.873 ( 0.068 1.598 -3.112) 3.499 2.449 ( 0.888 5.081 3.047) 5.991 2.502 ( 0.154 6.387 -2.269) 6.780 2.625 ( 4.247 9.403 1.723) 10.461 2.655 ( -3.337 7.205 -1.058) 8.011 2.888 ( 0.088 1.588 0.017) 1.591 2.895 ( 0.406 1.893 -0.543) 2.011 3.251 ( -1.927 1.721 3.299) 4.191 3.304 ( -0.885 3.422 -1.870) 3.999 3.351 ( 0.834 2.218 3.063) 3.873 3.424 ( 1.022 1.978 -3.665) 4.288 4.326 ( -4.916 7.863 16.207) 18.672 4.637 ( 4.093 2.657 -15.299) 16.058 5.348 ( -3.406 -2.866 3.463) 5.640 5.434 ( 3.995 -2.688 -5.415) 7.246 6.715 ( -4.790 -7.853 13.139) 16.039 6.975 ( 4.518 -6.855 -13.396) 15.711 7.995 ( -5.326 -4.968 10.510) 12.787 8.201 ( 5.865 -4.789 -10.452) 12.907 9.495 ( 1.947 3.382 4.950) 6.304 9.577 ( -3.406 3.559 -3.138) 5.841 10.077 ( 1.419 1.259 3.936) 4.370 10.161 ( -0.777 1.188 -4.345) 4.571 12.991 ( -0.292 0.171 1.488) 1.526 13.028 ( 0.031 0.124 -1.886) 1.890 13.076 ( -0.485 0.424 4.961) 5.002 13.185 ( 0.678 0.812 -5.671) 5.769 13.740 ( 0.383 0.256 0.194) 0.500 13.747 ( -0.405 0.071 -0.514) 0.658 ======================= Grid point 227 (118/129) ======================= q-point: (-0.25 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 1.378 0.577 3.511) 3.815 1.229 ( 1.292 0.528 -3.981) 4.218 1.507 ( -0.536 7.643 1.821) 7.875 1.585 ( 1.903 5.544 -1.809) 6.134 1.662 ( -2.127 1.360 5.742) 6.272 1.741 ( -0.761 5.422 -1.691) 5.731 1.809 ( -0.047 3.310 -0.441) 3.339 1.862 ( 0.761 -0.175 -3.752) 3.833 2.349 ( -3.077 7.165 0.892) 7.849 2.393 ( -0.733 6.414 -2.509) 6.926 2.432 ( -5.316 8.588 -2.062) 10.308 2.584 ( 3.621 12.357 1.685) 12.987 2.881 ( 1.014 2.062 -0.031) 2.298 2.893 ( 2.026 0.801 -0.894) 2.355 3.182 ( -2.440 6.047 1.595) 6.713 3.219 ( -0.233 4.665 2.534) 5.314 3.296 ( -3.164 2.359 -0.005) 3.946 3.384 ( 0.768 5.073 -0.766) 5.187 4.211 ( -3.700 4.419 18.202) 19.092 4.615 ( 2.890 2.263 -16.989) 17.381 5.373 ( -1.355 -4.319 2.124) 5.001 5.515 ( 4.424 -1.183 -4.022) 6.095 6.818 ( -3.441 -10.579 12.215) 16.521 7.097 ( 3.719 -6.209 -12.436) 14.388 8.034 ( -3.062 -6.438 9.291) 11.711 8.356 ( 7.687 -5.706 -9.958) 13.813 9.380 ( -6.524 5.572 1.936) 8.795 9.557 ( 3.814 3.021 0.813) 4.933 10.077 ( -0.163 2.120 3.013) 3.688 10.126 ( 0.685 1.432 -3.595) 3.930 12.985 ( -0.747 0.096 1.906) 2.049 13.016 ( -0.555 0.321 -0.893) 1.099 13.074 ( -0.480 0.473 3.646) 3.708 13.168 ( 0.665 0.916 -5.337) 5.456 13.738 ( -0.025 0.312 0.111) 0.332 13.744 ( 0.155 -0.016 -0.343) 0.377 ======================= Grid point 228 (119/129) ======================= q-point: (-0.12 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 1.964 0.616 2.092) 2.934 1.249 ( 2.174 -0.487 -2.918) 3.671 1.421 ( 1.857 6.608 1.199) 6.968 1.548 ( 2.068 3.545 -1.141) 4.260 1.614 ( -0.679 5.823 5.687) 8.167 1.668 ( -1.392 0.789 0.186) 1.611 1.761 ( 0.628 3.289 -1.219) 3.564 1.864 ( 0.053 0.199 -3.371) 3.377 2.213 ( -2.284 6.608 0.545) 7.013 2.234 ( -3.168 9.291 -1.378) 9.912 2.335 ( 2.974 2.176 -4.529) 5.839 2.449 ( -0.549 9.986 2.058) 10.210 2.861 ( 0.669 2.160 0.422) 2.300 2.915 ( 1.967 0.513 -0.834) 2.197 3.087 ( 3.359 8.134 0.423) 8.810 3.174 ( 0.303 3.459 2.558) 4.312 3.229 ( -0.902 1.917 -1.328) 2.500 3.316 ( -0.474 5.159 2.886) 5.931 4.184 ( -1.615 1.096 16.591) 16.706 4.584 ( 2.505 1.650 -17.259) 17.518 5.410 ( -1.013 -2.731 -0.395) 2.939 5.582 ( 3.055 -1.452 -1.065) 3.546 6.928 ( -4.355 -9.250 10.662) 14.772 7.178 ( 1.306 -4.173 -10.920) 11.763 8.121 ( -0.740 -7.087 7.996) 10.710 8.491 ( 4.305 -2.292 -8.852) 10.106 9.232 ( -4.291 3.343 2.236) 5.881 9.572 ( 3.389 3.050 0.214) 4.564 10.041 ( -0.615 2.167 1.565) 2.743 10.123 ( 1.802 1.348 -1.614) 2.770 12.977 ( -0.964 -0.163 2.070) 2.290 13.001 ( -0.538 0.299 -0.532) 0.813 13.066 ( -0.553 0.736 2.627) 2.784 13.156 ( 0.932 0.566 -4.765) 4.888 13.733 ( 0.006 0.565 0.410) 0.698 13.749 ( 0.363 -0.420 -0.595) 0.814 ======================= Grid point 233 (120/129) ======================= q-point: (-0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.461 -0.000 5.252) 5.273 1.261 ( -0.218 -0.000 -5.192) 5.196 1.600 ( -1.264 -0.000 6.779) 6.896 1.723 ( -0.346 -0.000 -5.707) 5.718 1.821 ( -0.874 -0.000 0.639) 1.082 1.821 ( -0.941 0.000 1.034) 1.398 1.867 ( 3.239 -0.000 0.971) 3.381 1.911 ( -1.338 -0.000 -3.492) 3.740 2.517 ( 0.721 -0.000 3.908) 3.974 2.590 ( -0.103 -0.000 -3.390) 3.392 2.738 ( -8.778 -0.000 1.407) 8.890 2.766 ( 10.251 -0.000 -1.521) 10.363 2.929 ( -0.644 0.000 0.572) 0.861 2.939 ( -0.621 -0.000 -0.413) 0.745 3.258 ( -4.524 -0.000 4.681) 6.510 3.338 ( 4.023 -0.000 -3.456) 5.304 3.382 ( 0.376 -0.000 3.320) 3.341 3.443 ( 1.341 -0.000 -2.697) 3.012 4.470 ( -0.575 -0.000 9.755) 9.772 4.671 ( -0.872 -0.000 -10.301) 10.338 5.304 ( -5.667 -0.000 3.628) 6.729 5.395 ( 6.798 -0.000 -5.768) 8.915 6.598 ( -7.049 -0.000 14.001) 15.676 6.874 ( 6.468 -0.000 -14.222) 15.623 7.925 ( -5.256 -0.000 10.699) 11.921 8.134 ( 5.921 -0.000 -10.572) 12.117 9.543 ( 3.261 -0.000 5.208) 6.145 9.627 ( -5.001 -0.000 -3.037) 5.851 10.094 ( 1.486 -0.000 3.742) 4.026 10.177 ( -0.562 -0.000 -4.396) 4.432 12.993 ( -0.359 -0.000 1.261) 1.312 13.029 ( 0.298 -0.000 -2.430) 2.449 13.082 ( -0.751 -0.000 5.695) 5.744 13.196 ( 0.657 -0.000 -5.804) 5.841 13.744 ( 0.635 -0.000 0.055) 0.637 13.748 ( -0.649 -0.000 -0.361) 0.742 ======================= Grid point 235 (121/129) ======================= q-point: (-0.38 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 1.086 0.126 4.700) 4.826 1.247 ( 0.768 0.488 -4.948) 5.031 1.601 ( -0.912 0.146 7.166) 7.225 1.686 ( -0.974 1.927 -4.035) 4.576 1.745 ( -3.181 4.513 1.208) 5.652 1.832 ( -0.933 -1.676 0.242) 1.934 1.866 ( -0.561 2.625 -2.972) 4.005 1.892 ( 0.552 1.706 0.254) 1.811 2.479 ( -4.868 2.397 2.779) 6.096 2.514 ( -5.894 1.977 -2.296) 6.627 2.595 ( -6.486 3.273 -1.859) 7.499 2.859 ( 5.912 6.027 -0.036) 8.442 2.903 ( 0.367 1.204 -0.020) 1.259 2.946 ( 1.721 1.075 0.039) 2.029 3.206 ( -4.560 -0.810 4.217) 6.263 3.337 ( -0.861 2.309 -1.271) 2.773 3.359 ( -2.829 1.941 1.624) 3.796 3.456 ( 1.216 0.288 -4.520) 4.690 4.384 ( -6.745 6.285 13.655) 16.476 4.632 ( -1.324 -1.190 -11.420) 11.558 5.280 ( -0.625 -2.002 2.204) 3.043 5.501 ( 7.981 -0.015 -5.403) 9.638 6.584 ( -4.116 -5.277 13.990) 15.509 6.974 ( 8.206 -2.548 -13.432) 15.945 7.912 ( -2.096 -2.323 9.813) 10.300 8.235 ( 8.538 -2.606 -10.669) 13.911 9.510 ( -5.970 3.359 -0.441) 6.864 9.597 ( 1.497 0.027 4.213) 4.471 10.117 ( 0.641 0.761 3.243) 3.392 10.154 ( -0.090 0.563 -4.709) 4.743 12.987 ( -0.935 0.015 1.568) 1.826 13.023 ( -0.176 0.143 -2.069) 2.081 13.083 ( -0.887 0.170 5.481) 5.555 13.186 ( 0.421 0.378 -5.666) 5.694 13.738 ( -0.492 -0.062 -0.445) 0.666 13.751 ( 0.453 0.231 0.228) 0.557 ======================= Grid point 236 (122/129) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.587 0.143 3.477) 3.529 1.250 ( 1.817 0.318 -3.602) 4.047 1.582 ( -1.504 3.354 5.163) 6.338 1.626 ( -2.728 2.638 -1.264) 4.000 1.664 ( 0.771 1.945 0.518) 2.155 1.780 ( -3.207 3.585 -0.178) 4.814 1.847 ( -2.024 2.538 -0.474) 3.281 1.854 ( 0.516 -0.396 -1.183) 1.350 2.339 ( -7.236 2.908 0.188) 7.801 2.391 ( -6.477 1.438 -0.309) 6.642 2.448 ( -3.318 5.631 -5.772) 8.720 2.772 ( -1.572 11.567 3.086) 12.074 2.900 ( -0.653 1.186 -0.286) 1.384 2.948 ( 1.936 1.653 -0.193) 2.553 3.160 ( -4.322 -1.039 4.214) 6.125 3.265 ( -3.186 2.854 -0.832) 4.358 3.293 ( -0.938 2.557 1.656) 3.188 3.425 ( -1.222 1.895 -4.317) 4.870 4.262 ( -4.252 3.721 15.939) 16.911 4.593 ( -1.367 -0.931 -12.967) 13.072 5.322 ( 0.688 -2.710 1.007) 2.972 5.592 ( 6.563 1.482 -4.406) 8.043 6.672 ( -2.039 -8.374 13.419) 15.949 7.097 ( 7.840 -1.866 -12.885) 15.198 7.969 ( 0.728 -3.833 8.474) 9.329 8.394 ( 9.162 -3.877 -10.250) 14.284 9.354 ( -6.503 4.830 0.926) 8.153 9.618 ( 0.200 0.298 3.620) 3.637 10.099 ( -0.898 1.900 0.915) 2.292 10.148 ( 1.045 0.396 -2.350) 2.602 12.974 ( -1.267 -0.077 1.905) 2.289 13.011 ( -0.376 0.335 -1.414) 1.501 13.079 ( -0.931 0.267 4.639) 4.739 13.171 ( 0.310 0.464 -5.363) 5.392 13.734 ( -0.151 -0.306 -0.609) 0.698 13.753 ( 0.306 0.462 0.424) 0.698 ======================= Grid point 237 (123/129) ======================= q-point: (-0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -0.239 -0.427 3.225) 3.262 1.271 ( 2.104 -0.015 -2.851) 3.544 1.516 ( -1.200 4.328 4.201) 6.150 1.552 ( -2.550 1.227 -0.632) 2.899 1.671 ( -4.125 3.725 2.987) 6.310 1.673 ( 1.532 1.470 0.612) 2.210 1.785 ( -1.475 0.719 -1.606) 2.296 1.860 ( -0.265 0.026 -1.709) 1.730 2.216 ( -4.888 1.406 0.272) 5.093 2.265 ( -4.956 3.308 -1.561) 6.159 2.365 ( 1.572 0.248 -6.839) 7.022 2.545 ( -6.946 10.913 5.448) 14.037 2.878 ( -0.250 0.436 -0.015) 0.502 2.954 ( 1.275 1.355 -0.452) 1.915 3.133 ( -3.318 -2.001 4.337) 5.816 3.183 ( -1.942 2.735 0.130) 3.357 3.259 ( -1.513 0.803 1.751) 2.449 3.379 ( 1.652 2.835 -4.854) 5.859 4.228 ( -1.692 1.392 15.207) 15.364 4.557 ( -0.604 -1.217 -13.802) 13.869 5.367 ( -0.082 -2.651 0.678) 2.738 5.635 ( 4.025 2.541 -3.228) 5.751 6.788 ( -2.038 -7.510 12.627) 14.833 7.180 ( 5.964 0.825 -12.483) 13.859 8.075 ( 2.539 -4.644 7.325) 9.037 8.517 ( 4.758 -0.505 -9.497) 10.634 9.218 ( -3.823 2.929 2.216) 5.301 9.618 ( -0.587 -0.020 1.854) 1.945 10.058 ( -1.503 1.707 1.864) 2.941 10.154 ( 1.346 0.381 -2.529) 2.890 12.962 ( -1.147 -0.256 1.990) 2.311 12.999 ( -0.071 0.332 -0.952) 1.011 13.071 ( -0.913 0.412 3.643) 3.778 13.159 ( 0.493 0.085 -4.854) 4.880 13.737 ( 0.099 -0.279 -0.481) 0.565 13.751 ( 0.192 0.347 0.249) 0.468 ======================= Grid point 243 (124/129) ======================= q-point: (-0.38 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.210 0.000 4.429) 4.434 1.256 ( 1.619 0.000 -4.417) 4.704 1.605 ( -1.304 -0.000 7.908) 8.015 1.660 ( -2.462 -0.000 -2.430) 3.459 1.762 ( -2.185 -0.000 -1.039) 2.419 1.769 ( -2.226 -0.000 1.794) 2.859 1.859 ( -1.385 -0.000 -2.340) 2.719 1.895 ( -2.657 -0.000 0.224) 2.666 2.386 ( -9.811 -0.000 -2.266) 10.070 2.393 ( -9.495 -0.000 3.265) 10.041 2.530 ( -4.323 -0.000 -4.032) 5.911 2.917 ( -0.183 -0.000 0.310) 0.360 2.963 ( 0.243 0.000 0.800) 0.836 2.967 ( 1.730 0.000 0.016) 1.730 3.143 ( -4.098 -0.000 3.141) 5.164 3.306 ( -3.925 -0.000 -0.998) 4.050 3.331 ( -3.883 -0.000 1.504) 4.164 3.433 ( -2.896 -0.000 -6.485) 7.102 4.319 ( -11.297 -0.000 17.136) 20.524 4.572 ( -0.231 -0.000 -12.264) 12.266 5.288 ( 2.175 0.000 0.574) 2.250 5.617 ( 8.148 0.000 -4.999) 9.559 6.547 ( -0.642 -0.000 14.685) 14.699 7.072 ( 10.653 0.000 -13.331) 17.065 7.918 ( 1.477 0.000 8.917) 9.039 8.333 ( 10.248 0.000 -10.989) 15.026 9.435 ( -6.353 -0.000 -1.139) 6.455 9.611 ( -1.492 -0.000 6.378) 6.550 10.132 ( -0.676 -0.000 3.093) 3.166 10.147 ( 0.525 0.000 -5.142) 5.169 12.973 ( -1.337 -0.000 1.856) 2.287 13.016 ( -0.208 -0.000 -2.156) 2.166 13.083 ( -1.202 -0.000 5.794) 5.917 13.178 ( 0.055 0.000 -5.543) 5.543 13.729 ( -0.333 -0.000 -0.612) 0.697 13.760 ( 0.360 0.000 0.405) 0.542 ======================= Grid point 244 (125/129) ======================= q-point: (-0.25 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -1.247 -0.119 4.013) 4.204 1.274 ( 2.052 0.106 -3.175) 3.782 1.581 ( -3.661 1.597 5.405) 6.721 1.612 ( -2.723 0.459 2.158) 3.505 1.697 ( -1.568 2.123 -1.023) 2.830 1.756 ( -2.413 0.537 1.071) 2.694 1.813 ( -5.343 1.171 -0.931) 5.549 1.836 ( -1.440 -0.856 -1.205) 2.064 2.222 ( -9.869 -0.042 -0.862) 9.907 2.254 ( -10.209 -1.795 0.820) 10.398 2.450 ( -1.741 2.742 -5.971) 6.798 2.847 ( -8.325 9.468 2.996) 12.958 2.895 ( -2.239 0.448 0.415) 2.321 2.981 ( 0.539 0.253 -0.595) 0.842 3.094 ( -3.625 -0.181 3.715) 5.194 3.233 ( -3.982 0.475 -0.803) 4.090 3.268 ( -4.776 0.093 0.422) 4.796 3.357 ( -5.589 -3.209 -5.098) 8.217 4.218 ( -8.340 -1.651 18.762) 20.598 4.547 ( 1.397 0.494 -13.842) 13.921 5.323 ( 1.499 -0.386 0.086) 1.550 5.706 ( 6.165 1.629 -4.490) 7.798 6.629 ( 2.413 -3.408 14.477) 15.067 7.202 ( 10.695 0.510 -13.221) 17.013 7.994 ( 4.176 -1.304 7.631) 8.797 8.476 ( 9.901 -1.536 -11.112) 14.962 9.316 ( -5.922 3.081 0.726) 6.715 9.592 ( -3.882 -1.336 5.384) 6.770 10.104 ( -2.188 1.448 1.922) 3.252 10.151 ( 0.627 -0.579 -3.801) 3.895 12.958 ( -1.299 -0.073 2.152) 2.515 13.007 ( 0.029 0.208 -1.836) 1.848 13.077 ( -1.342 0.069 5.377) 5.542 13.161 ( -0.199 0.050 -5.274) 5.278 13.726 ( -0.012 -0.265 -0.843) 0.884 13.763 ( 0.190 0.292 0.542) 0.644 ======================= Grid point 245 (126/129) ======================= q-point: (-0.12 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -2.122 -0.719 4.049) 4.627 1.295 ( 1.669 0.185 -2.468) 2.985 1.492 ( -6.077 1.379 4.205) 7.517 1.551 ( -4.545 2.892 2.235) 5.833 1.623 ( -5.789 -0.548 5.545) 8.034 1.725 ( -4.463 -1.544 -2.382) 5.290 1.731 ( 1.653 2.373 -0.677) 2.970 1.837 ( -0.861 -1.132 -2.151) 2.578 2.108 ( -7.086 -3.186 -0.068) 7.769 2.152 ( -7.457 -3.312 -0.367) 8.168 2.386 ( 1.119 2.462 -7.208) 7.699 2.554 ( -11.318 9.124 6.058) 15.749 2.852 ( -3.903 -1.596 0.542) 4.252 2.973 ( -0.675 0.613 -0.803) 1.215 3.059 ( -3.457 -1.319 3.598) 5.161 3.172 ( -2.820 0.808 0.996) 3.098 3.200 ( -4.685 -2.218 -0.930) 5.266 3.345 ( -3.019 -5.513 -5.109) 8.100 4.196 ( -5.883 -3.311 18.160) 19.374 4.526 ( 2.373 1.338 -14.721) 14.971 5.346 ( 0.454 -0.923 0.803) 1.305 5.732 ( 3.331 3.595 -4.096) 6.387 6.757 ( 3.133 -2.942 13.627) 14.289 7.296 ( 8.920 3.259 -13.112) 16.190 8.110 ( 5.203 -1.860 6.717) 8.698 8.572 ( 4.885 1.563 -10.774) 11.932 9.207 ( -3.044 2.263 2.472) 4.528 9.566 ( -4.306 -2.836 3.232) 6.086 10.047 ( -3.342 1.257 2.759) 4.513 10.158 ( 0.470 -0.753 -3.831) 3.932 12.949 ( -0.806 -0.238 2.232) 2.385 13.003 ( 0.519 0.298 -1.387) 1.511 13.068 ( -1.312 0.139 4.385) 4.579 13.148 ( -0.061 -0.405 -4.780) 4.798 13.731 ( 0.205 -0.499 -0.955) 1.097 13.760 ( -0.070 0.504 0.508) 0.720 ======================= Grid point 252 (127/129) ======================= q-point: (-0.25 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -2.522 -0.000 4.197) 4.897 1.298 ( 1.959 0.000 -2.406) 3.103 1.544 ( -5.731 -0.000 1.549) 5.937 1.552 ( -6.171 -0.000 9.157) 11.042 1.634 ( -8.323 -0.000 1.269) 8.419 1.706 ( -7.887 -0.000 -2.546) 8.288 1.761 ( 1.223 0.000 0.940) 1.542 1.808 ( -0.196 -0.000 -3.211) 3.217 2.057 ( -10.429 -0.000 -1.088) 10.485 2.093 ( -7.733 -0.000 0.712) 7.766 2.445 ( 0.852 0.000 -5.800) 5.862 2.788 ( -10.884 -0.000 -0.113) 10.885 2.835 ( -6.118 -0.000 1.424) 6.281 2.916 ( -10.021 -0.000 1.679) 10.161 3.068 ( -2.028 -0.000 4.336) 4.787 3.114 ( -6.690 -0.000 -5.025) 8.367 3.209 ( -3.697 -0.000 -0.260) 3.706 3.212 ( -6.170 -0.000 0.866) 6.231 4.139 ( -5.890 -0.000 19.201) 20.084 4.553 ( 3.182 0.000 -15.063) 15.395 5.341 ( 0.845 0.000 0.274) 0.889 5.782 ( 3.683 0.000 -4.487) 5.805 6.717 ( 6.305 0.000 14.602) 15.905 7.340 ( 10.666 0.000 -13.381) 17.112 8.088 ( 6.424 0.000 6.470) 9.118 8.585 ( 8.963 0.000 -12.059) 15.025 9.258 ( -4.672 -0.000 1.330) 4.857 9.511 ( -6.735 -0.000 6.044) 9.049 10.074 ( -4.035 -0.000 3.332) 5.233 10.139 ( 0.130 0.000 -5.062) 5.064 12.946 ( -0.930 -0.000 2.403) 2.577 13.008 ( 0.580 0.000 -1.903) 1.989 13.070 ( -1.479 -0.000 5.446) 5.643 13.142 ( -0.537 -0.000 -5.076) 5.104 13.723 ( 0.233 0.000 -1.071) 1.096 13.768 ( -0.107 -0.000 0.563) 0.573 ======================= Grid point 253 (128/129) ======================= q-point: (-0.12 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -2.101 -0.474 4.359) 4.862 1.311 ( 0.111 0.519 -2.594) 2.648 1.403 ( -10.314 1.771 5.869) 11.999 1.460 ( -11.353 0.848 3.630) 11.949 1.501 ( -8.010 -4.554 5.967) 10.978 1.607 ( -5.954 -2.350 -3.073) 7.101 1.780 ( 1.665 1.583 -0.383) 2.329 1.820 ( 2.323 -0.853 -4.522) 5.154 1.941 ( -7.205 -3.593 1.701) 8.229 2.030 ( -2.761 -1.900 -0.370) 3.372 2.424 ( -0.604 4.992 -5.657) 7.568 2.497 ( -12.685 7.812 5.194) 15.777 2.716 ( -7.706 -4.114 -1.681) 8.896 2.860 ( -9.940 -10.368 2.175) 14.527 3.017 ( -3.898 1.461 2.308) 4.760 3.059 ( -5.019 -2.771 -2.392) 6.212 3.128 ( -3.664 -0.149 0.963) 3.791 3.200 ( -2.552 -4.776 -1.331) 5.576 4.130 ( -3.572 -1.467 18.384) 18.785 4.556 ( 3.373 1.256 -15.559) 15.970 5.355 ( 0.896 -0.064 1.610) 1.844 5.790 ( 0.577 1.951 -4.560) 4.994 6.863 ( 7.304 0.339 13.877) 15.685 7.439 ( 8.517 2.446 -13.463) 16.117 8.208 ( 6.602 0.020 5.827) 8.806 8.646 ( 4.384 2.826 -12.191) 13.260 9.199 ( -1.874 1.126 2.458) 3.289 9.440 ( -7.044 -3.606 4.601) 9.153 10.010 ( -4.260 0.747 3.665) 5.669 10.130 ( -0.795 -1.185 -4.601) 4.817 12.944 ( -0.350 -0.185 2.475) 2.506 13.015 ( 1.001 0.175 -1.728) 2.005 13.061 ( -1.346 0.135 4.706) 4.897 13.125 ( -0.336 -0.568 -4.594) 4.641 13.727 ( 0.379 -0.259 -1.178) 1.264 13.763 ( -0.488 0.254 0.484) 0.733 ======================= Grid point 261 (129/129) ======================= q-point: (-0.12 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -0.197 -0.000 1.656) 1.668 1.220 ( -11.347 -0.000 -0.472) 11.357 1.246 ( -14.069 -0.000 8.558) 16.468 1.317 ( -9.830 -0.000 8.954) 13.296 1.381 ( -0.608 -0.000 -0.351) 0.702 1.487 ( -5.516 -0.000 -3.920) 6.767 1.830 ( -1.681 -0.000 4.267) 4.586 1.849 ( 4.561 0.000 -6.882) 8.256 1.852 ( 1.513 0.000 0.529) 1.603 2.000 ( 0.002 0.000 -0.788) 0.788 2.388 ( -16.291 -0.000 7.091) 17.767 2.399 ( -12.859 -0.000 -1.544) 12.951 2.523 ( 1.341 0.000 -1.692) 2.159 2.636 ( -5.627 -0.000 1.018) 5.718 2.951 ( -5.502 -0.000 -4.583) 7.161 2.975 ( -5.579 -0.000 3.148) 6.406 3.080 ( -1.809 -0.000 0.088) 1.811 3.137 ( -1.515 -0.000 0.116) 1.519 4.136 ( -1.128 -0.000 17.428) 17.465 4.570 ( 2.731 0.000 -15.842) 16.076 5.383 ( 2.322 0.000 3.079) 3.857 5.777 ( -2.324 -0.000 -4.937) 5.457 7.023 ( 7.669 0.000 13.811) 15.797 7.534 ( 6.007 0.000 -13.949) 15.187 8.322 ( 5.805 0.000 5.317) 7.872 8.691 ( 2.102 0.000 -12.629) 12.803 9.194 ( -0.299 -0.000 1.653) 1.680 9.311 ( -7.166 -0.000 5.134) 8.816 9.962 ( -3.707 -0.000 4.691) 5.979 10.091 ( -1.366 -0.000 -4.785) 4.976 12.947 ( 0.022 0.000 2.578) 2.578 13.026 ( 0.844 0.000 -2.042) 2.210 13.056 ( -1.065 -0.000 4.493) 4.617 13.106 ( 0.115 0.000 -4.239) 4.241 13.729 ( 0.531 0.000 -1.268) 1.374 13.755 ( -0.865 -0.000 0.422) 0.963 =================== 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 3/16128 10.0 197.346 184.099 253.472 -0.000 -18.496 0.000 3/16128 20.0 48.410 44.207 50.956 -0.000 -4.767 0.000 3/16128 30.0 25.137 23.342 24.157 -0.000 -2.616 0.000 3/16128 40.0 17.420 16.314 15.897 -0.000 -1.888 0.000 3/16128 50.0 13.558 12.764 12.128 -0.000 -1.532 0.000 3/16128 60.0 11.164 10.543 9.966 -0.000 -1.311 0.000 3/16128 70.0 9.505 8.993 8.535 -0.000 -1.154 0.000 3/16128 80.0 8.281 7.843 7.499 -0.000 -1.033 0.000 3/16128 90.0 7.339 6.955 6.706 -0.000 -0.936 0.000 3/16128 100.0 6.590 6.247 6.073 -0.000 -0.856 0.000 3/16128 110.0 5.981 5.671 5.555 -0.000 -0.788 0.000 3/16128 120.0 5.477 5.193 5.121 -0.000 -0.730 0.000 3/16128 130.0 5.051 4.790 4.753 -0.000 -0.681 0.000 3/16128 140.0 4.688 4.445 4.435 -0.000 -0.637 0.000 3/16128 150.0 4.373 4.147 4.158 -0.000 -0.599 0.000 3/16128 160.0 4.099 3.887 3.914 -0.000 -0.565 0.000 3/16128 170.0 3.857 3.658 3.698 -0.000 -0.535 0.000 3/16128 180.0 3.643 3.454 3.505 -0.000 -0.508 0.000 3/16128 190.0 3.451 3.273 3.331 -0.000 -0.483 0.000 3/16128 200.0 3.279 3.109 3.173 -0.000 -0.461 0.000 3/16128 210.0 3.123 2.961 3.030 -0.000 -0.441 0.000 3/16128 220.0 2.982 2.827 2.899 -0.000 -0.422 0.000 3/16128 230.0 2.852 2.704 2.779 -0.000 -0.405 0.000 3/16128 240.0 2.734 2.592 2.669 -0.000 -0.389 0.000 3/16128 250.0 2.625 2.489 2.567 -0.000 -0.374 0.000 3/16128 260.0 2.525 2.393 2.472 -0.000 -0.361 0.000 3/16128 270.0 2.432 2.305 2.385 -0.000 -0.348 0.000 3/16128 280.0 2.345 2.223 2.303 -0.000 -0.336 0.000 3/16128 290.0 2.265 2.147 2.226 -0.000 -0.325 0.000 3/16128 300.0 2.190 2.076 2.155 -0.000 -0.315 0.000 3/16128 310.0 2.119 2.009 2.088 -0.000 -0.305 0.000 3/16128 320.0 2.053 1.947 2.025 -0.000 -0.296 0.000 3/16128 330.0 1.992 1.888 1.965 -0.000 -0.288 0.000 3/16128 340.0 1.933 1.833 1.909 -0.000 -0.279 0.000 3/16128 350.0 1.878 1.781 1.856 -0.000 -0.272 0.000 3/16128 360.0 1.826 1.731 1.806 -0.000 -0.265 0.000 3/16128 370.0 1.777 1.685 1.759 -0.000 -0.258 0.000 3/16128 380.0 1.731 1.641 1.714 -0.000 -0.251 0.000 3/16128 390.0 1.687 1.599 1.671 -0.000 -0.245 0.000 3/16128 400.0 1.645 1.559 1.630 -0.000 -0.239 0.000 3/16128 410.0 1.605 1.521 1.591 -0.000 -0.233 0.000 3/16128 420.0 1.567 1.485 1.554 -0.000 -0.228 0.000 3/16128 430.0 1.531 1.451 1.519 -0.000 -0.223 0.000 3/16128 440.0 1.496 1.418 1.485 -0.000 -0.218 0.000 3/16128 450.0 1.463 1.387 1.453 -0.000 -0.213 0.000 3/16128 460.0 1.431 1.357 1.422 -0.000 -0.209 0.000 3/16128 470.0 1.401 1.328 1.392 -0.000 -0.204 0.000 3/16128 480.0 1.372 1.301 1.364 -0.000 -0.200 0.000 3/16128 490.0 1.344 1.274 1.336 -0.000 -0.196 0.000 3/16128 500.0 1.317 1.249 1.310 -0.000 -0.192 0.000 3/16128 510.0 1.292 1.224 1.285 -0.000 -0.189 0.000 3/16128 520.0 1.267 1.201 1.261 -0.000 -0.185 0.000 3/16128 530.0 1.243 1.178 1.237 -0.000 -0.182 0.000 3/16128 540.0 1.220 1.157 1.215 -0.000 -0.178 0.000 3/16128 550.0 1.198 1.136 1.193 -0.000 -0.175 0.000 3/16128 560.0 1.177 1.116 1.172 -0.000 -0.172 0.000 3/16128 570.0 1.156 1.096 1.152 -0.000 -0.169 0.000 3/16128 580.0 1.137 1.077 1.132 -0.000 -0.166 0.000 3/16128 590.0 1.117 1.059 1.113 -0.000 -0.163 0.000 3/16128 600.0 1.099 1.042 1.095 -0.000 -0.161 0.000 3/16128 610.0 1.081 1.025 1.077 -0.000 -0.158 0.000 3/16128 620.0 1.064 1.008 1.060 -0.000 -0.156 0.000 3/16128 630.0 1.047 0.992 1.043 -0.000 -0.153 0.000 3/16128 640.0 1.030 0.977 1.027 -0.000 -0.151 0.000 3/16128 650.0 1.015 0.962 1.012 -0.000 -0.149 0.000 3/16128 660.0 0.999 0.947 0.996 -0.000 -0.146 0.000 3/16128 670.0 0.985 0.933 0.982 -0.000 -0.144 0.000 3/16128 680.0 0.970 0.920 0.967 -0.000 -0.142 0.000 3/16128 690.0 0.956 0.906 0.954 -0.000 -0.140 0.000 3/16128 700.0 0.943 0.893 0.940 -0.000 -0.138 0.000 3/16128 710.0 0.929 0.881 0.927 -0.000 -0.136 0.000 3/16128 720.0 0.916 0.869 0.914 -0.000 -0.134 0.000 3/16128 730.0 0.904 0.857 0.902 -0.000 -0.133 0.000 3/16128 740.0 0.892 0.845 0.890 -0.000 -0.131 0.000 3/16128 750.0 0.880 0.834 0.878 -0.000 -0.129 0.000 3/16128 760.0 0.868 0.823 0.867 -0.000 -0.127 0.000 3/16128 770.0 0.857 0.813 0.855 -0.000 -0.126 0.000 3/16128 780.0 0.846 0.802 0.844 -0.000 -0.124 0.000 3/16128 790.0 0.836 0.792 0.834 -0.000 -0.123 0.000 3/16128 800.0 0.825 0.782 0.824 -0.000 -0.121 0.000 3/16128 810.0 0.815 0.773 0.813 -0.000 -0.120 0.000 3/16128 820.0 0.805 0.763 0.804 -0.000 -0.118 0.000 3/16128 830.0 0.795 0.754 0.794 -0.000 -0.117 0.000 3/16128 840.0 0.786 0.745 0.785 -0.000 -0.115 0.000 3/16128 850.0 0.777 0.736 0.775 -0.000 -0.114 0.000 3/16128 860.0 0.768 0.728 0.766 -0.000 -0.113 0.000 3/16128 870.0 0.759 0.720 0.758 -0.000 -0.111 0.000 3/16128 880.0 0.750 0.711 0.749 -0.000 -0.110 0.000 3/16128 890.0 0.742 0.703 0.741 -0.000 -0.109 0.000 3/16128 900.0 0.734 0.696 0.733 -0.000 -0.108 0.000 3/16128 910.0 0.726 0.688 0.725 -0.000 -0.107 0.000 3/16128 920.0 0.718 0.681 0.717 -0.000 -0.105 0.000 3/16128 930.0 0.710 0.673 0.709 -0.000 -0.104 0.000 3/16128 940.0 0.703 0.666 0.702 -0.000 -0.103 0.000 3/16128 950.0 0.695 0.659 0.694 -0.000 -0.102 0.000 3/16128 960.0 0.688 0.652 0.687 -0.000 -0.101 0.000 3/16128 970.0 0.681 0.646 0.680 -0.000 -0.100 0.000 3/16128 980.0 0.674 0.639 0.673 -0.000 -0.099 0.000 3/16128 990.0 0.667 0.633 0.666 -0.000 -0.098 0.000 3/16128 1000.0 0.661 0.626 0.660 -0.000 -0.097 0.000 3/16128 Thermal conductivity related properties were written into "kappa-m887.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:57:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|