----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:23:34]------------------------- 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: [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.016002555000000 -5.818283390000000 0.000000000000000 b 2.016002555000000 5.818283390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.538743309999999 Atomic positions (fractional): *1 Y 0.31489402117694 0.68510597882306 0.10278032153039 88.906 2 Y 0.68510597882306 0.31489402117694 0.89721967846961 88.906 3 Y 0.68510597882306 0.31489402117694 0.60278032153039 88.906 4 Y 0.31489402117694 0.68510597882306 0.39721967846961 88.906 *5 Y 0.61882662660672 0.38117337339328 0.25000000000000 88.906 6 Y 0.38117337339328 0.61882662660672 0.75000000000000 88.906 *7 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 8 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 *9 O 0.19207784660697 0.80792215339303 0.25000000000000 15.999 *10 O 0.26982790150179 0.73017209849821 0.58953151211084 15.999 11 O 0.26982790150179 0.73017209849821 0.91046848788916 15.999 12 O 0.80792215339303 0.19207784660697 0.75000000000000 15.999 13 O 0.73017209849821 0.26982790150179 0.41046848788916 15.999 *14 O 0.43402564801925 0.56597435198075 0.25000000000000 15.999 15 O 0.56597435198075 0.43402564801925 0.75000000000000 15.999 16 O 0.73017209849821 0.26982790150179 0.08953151211084 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.032005110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.636566780000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.538743309999999 Atomic positions (fractional): *1 Y 0.50000000000000 0.18510597882306 0.10278032153039 88.906 > 1 2 Y 0.00000000000000 0.31489402117694 0.89721967846961 88.906 > 2 3 Y 0.00000000000000 0.31489402117694 0.60278032153039 88.906 > 3 4 Y 0.50000000000000 0.18510597882306 0.39721967846961 88.906 > 4 *5 Y 0.00000000000000 0.38117337339328 0.25000000000000 88.906 > 5 6 Y 0.50000000000000 0.11882662660672 0.75000000000000 88.906 > 6 7 Y 0.00000000000000 0.68510597882306 0.10278032153039 88.906 > 1 8 Y 0.50000000000000 0.81489402117694 0.89721967846961 88.906 > 2 9 Y 0.50000000000000 0.81489402117694 0.60278032153039 88.906 > 3 10 Y 0.00000000000000 0.68510597882306 0.39721967846961 88.906 > 4 11 Y 0.50000000000000 0.88117337339328 0.25000000000000 88.906 > 5 12 Y 0.00000000000000 0.61882662660672 0.75000000000000 88.906 > 6 *13 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 7 14 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 > 8 15 Br 0.50000000000000 0.50000000000000 0.00000000000000 79.904 > 7 16 Br 0.50000000000000 0.50000000000000 0.50000000000000 79.904 > 8 *17 O 0.50000000000000 0.30792215339303 0.25000000000000 15.999 > 9 *18 O 0.50000000000000 0.23017209849821 0.58953151211084 15.999 > 10 19 O 0.50000000000000 0.23017209849821 0.91046848788916 15.999 > 11 20 O 0.00000000000000 0.19207784660697 0.75000000000000 15.999 > 12 21 O 0.00000000000000 0.26982790150179 0.41046848788916 15.999 > 13 *22 O 0.50000000000000 0.06597435198075 0.25000000000000 15.999 > 14 23 O 0.00000000000000 0.43402564801925 0.75000000000000 15.999 > 15 24 O 0.00000000000000 0.26982790150179 0.08953151211084 15.999 > 16 25 O 0.00000000000000 0.80792215339303 0.25000000000000 15.999 > 9 26 O 0.00000000000000 0.73017209849821 0.58953151211084 15.999 > 10 27 O 0.00000000000000 0.73017209849821 0.91046848788916 15.999 > 11 28 O 0.50000000000000 0.69207784660697 0.75000000000000 15.999 > 12 29 O 0.50000000000000 0.76982790150179 0.41046848788916 15.999 > 13 30 O 0.00000000000000 0.56597435198075 0.25000000000000 15.999 > 14 31 O 0.50000000000000 0.93402564801925 0.75000000000000 15.999 > 15 32 O 0.50000000000000 0.76982790150179 0.08953151211084 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.096015330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.636566780000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.538743309999999 Atomic positions (fractional): *1 Y 0.16666666666667 0.18510597882306 0.10278032153039 88.906 > 1 2 Y 0.50000000000000 0.18510597882306 0.10278032153039 88.906 > 1 3 Y 0.83333333333333 0.18510597882306 0.10278032153039 88.906 > 1 4 Y 0.00000000000000 0.31489402117694 0.89721967846961 88.906 > 2 5 Y 0.33333333333333 0.31489402117694 0.89721967846961 88.906 > 2 6 Y 0.66666666666667 0.31489402117694 0.89721967846961 88.906 > 2 7 Y 0.00000000000000 0.31489402117694 0.60278032153039 88.906 > 3 8 Y 0.33333333333333 0.31489402117694 0.60278032153039 88.906 > 3 9 Y 0.66666666666667 0.31489402117694 0.60278032153039 88.906 > 3 10 Y 0.16666666666667 0.18510597882306 0.39721967846961 88.906 > 4 11 Y 0.50000000000000 0.18510597882306 0.39721967846961 88.906 > 4 12 Y 0.83333333333333 0.18510597882306 0.39721967846961 88.906 > 4 *13 Y 0.00000000000000 0.38117337339328 0.25000000000000 88.906 > 5 14 Y 0.33333333333333 0.38117337339328 0.25000000000000 88.906 > 5 15 Y 0.66666666666667 0.38117337339328 0.25000000000000 88.906 > 5 16 Y 0.16666666666667 0.11882662660672 0.75000000000000 88.906 > 6 17 Y 0.50000000000000 0.11882662660672 0.75000000000000 88.906 > 6 18 Y 0.83333333333333 0.11882662660672 0.75000000000000 88.906 > 6 19 Y 0.00000000000000 0.68510597882306 0.10278032153039 88.906 > 1 20 Y 0.33333333333333 0.68510597882306 0.10278032153039 88.906 > 1 21 Y 0.66666666666667 0.68510597882306 0.10278032153039 88.906 > 1 22 Y 0.16666666666667 0.81489402117694 0.89721967846961 88.906 > 2 23 Y 0.50000000000000 0.81489402117694 0.89721967846961 88.906 > 2 24 Y 0.83333333333333 0.81489402117694 0.89721967846961 88.906 > 2 25 Y 0.16666666666667 0.81489402117694 0.60278032153039 88.906 > 3 26 Y 0.50000000000000 0.81489402117694 0.60278032153039 88.906 > 3 27 Y 0.83333333333333 0.81489402117694 0.60278032153039 88.906 > 3 28 Y 0.00000000000000 0.68510597882306 0.39721967846961 88.906 > 4 29 Y 0.33333333333333 0.68510597882306 0.39721967846961 88.906 > 4 30 Y 0.66666666666667 0.68510597882306 0.39721967846961 88.906 > 4 31 Y 0.16666666666667 0.88117337339328 0.25000000000000 88.906 > 5 32 Y 0.50000000000000 0.88117337339328 0.25000000000000 88.906 > 5 33 Y 0.83333333333333 0.88117337339328 0.25000000000000 88.906 > 5 34 Y 0.00000000000000 0.61882662660672 0.75000000000000 88.906 > 6 35 Y 0.33333333333333 0.61882662660672 0.75000000000000 88.906 > 6 36 Y 0.66666666666667 0.61882662660672 0.75000000000000 88.906 > 6 *37 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 7 38 Br 0.33333333333333 0.00000000000000 0.00000000000000 79.904 > 7 39 Br 0.66666666666667 0.00000000000000 0.00000000000000 79.904 > 7 40 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 > 8 41 Br 0.33333333333333 0.00000000000000 0.50000000000000 79.904 > 8 42 Br 0.66666666666667 0.00000000000000 0.50000000000000 79.904 > 8 43 Br 0.16666666666667 0.50000000000000 0.00000000000000 79.904 > 7 44 Br 0.50000000000000 0.50000000000000 0.00000000000000 79.904 > 7 45 Br 0.83333333333333 0.50000000000000 0.00000000000000 79.904 > 7 46 Br 0.16666666666667 0.50000000000000 0.50000000000000 79.904 > 8 47 Br 0.50000000000000 0.50000000000000 0.50000000000000 79.904 > 8 48 Br 0.83333333333333 0.50000000000000 0.50000000000000 79.904 > 8 *49 O 0.16666666666667 0.30792215339303 0.25000000000000 15.999 > 9 50 O 0.50000000000000 0.30792215339303 0.25000000000000 15.999 > 9 51 O 0.83333333333333 0.30792215339303 0.25000000000000 15.999 > 9 *52 O 0.16666666666667 0.23017209849821 0.58953151211084 15.999 > 10 53 O 0.50000000000000 0.23017209849821 0.58953151211084 15.999 > 10 54 O 0.83333333333333 0.23017209849821 0.58953151211084 15.999 > 10 55 O 0.16666666666667 0.23017209849821 0.91046848788916 15.999 > 11 56 O 0.50000000000000 0.23017209849821 0.91046848788916 15.999 > 11 57 O 0.83333333333333 0.23017209849821 0.91046848788916 15.999 > 11 58 O 0.00000000000000 0.19207784660697 0.75000000000000 15.999 > 12 59 O 0.33333333333333 0.19207784660697 0.75000000000000 15.999 > 12 60 O 0.66666666666667 0.19207784660697 0.75000000000000 15.999 > 12 61 O 0.00000000000000 0.26982790150179 0.41046848788916 15.999 > 13 62 O 0.33333333333333 0.26982790150179 0.41046848788916 15.999 > 13 63 O 0.66666666666667 0.26982790150179 0.41046848788916 15.999 > 13 *64 O 0.16666666666667 0.06597435198075 0.25000000000000 15.999 > 14 65 O 0.50000000000000 0.06597435198075 0.25000000000000 15.999 > 14 66 O 0.83333333333333 0.06597435198075 0.25000000000000 15.999 > 14 67 O 0.00000000000000 0.43402564801925 0.75000000000000 15.999 > 15 68 O 0.33333333333333 0.43402564801925 0.75000000000000 15.999 > 15 69 O 0.66666666666667 0.43402564801925 0.75000000000000 15.999 > 15 70 O 0.00000000000000 0.26982790150179 0.08953151211084 15.999 > 16 71 O 0.33333333333333 0.26982790150179 0.08953151211084 15.999 > 16 72 O 0.66666666666667 0.26982790150179 0.08953151211084 15.999 > 16 73 O 0.00000000000000 0.80792215339303 0.25000000000000 15.999 > 9 74 O 0.33333333333333 0.80792215339303 0.25000000000000 15.999 > 9 75 O 0.66666666666667 0.80792215339303 0.25000000000000 15.999 > 9 76 O 0.00000000000000 0.73017209849821 0.58953151211084 15.999 > 10 77 O 0.33333333333333 0.73017209849821 0.58953151211084 15.999 > 10 78 O 0.66666666666667 0.73017209849821 0.58953151211084 15.999 > 10 79 O 0.00000000000000 0.73017209849821 0.91046848788916 15.999 > 11 80 O 0.33333333333333 0.73017209849821 0.91046848788916 15.999 > 11 81 O 0.66666666666667 0.73017209849821 0.91046848788916 15.999 > 11 82 O 0.16666666666667 0.69207784660697 0.75000000000000 15.999 > 12 83 O 0.50000000000000 0.69207784660697 0.75000000000000 15.999 > 12 84 O 0.83333333333333 0.69207784660697 0.75000000000000 15.999 > 12 85 O 0.16666666666667 0.76982790150179 0.41046848788916 15.999 > 13 86 O 0.50000000000000 0.76982790150179 0.41046848788916 15.999 > 13 87 O 0.83333333333333 0.76982790150179 0.41046848788916 15.999 > 13 88 O 0.00000000000000 0.56597435198075 0.25000000000000 15.999 > 14 89 O 0.33333333333333 0.56597435198075 0.25000000000000 15.999 > 14 90 O 0.66666666666667 0.56597435198075 0.25000000000000 15.999 > 14 91 O 0.16666666666667 0.93402564801925 0.75000000000000 15.999 > 15 92 O 0.50000000000000 0.93402564801925 0.75000000000000 15.999 > 15 93 O 0.83333333333333 0.93402564801925 0.75000000000000 15.999 > 15 94 O 0.16666666666667 0.76982790150179 0.08953151211084 15.999 > 16 95 O 0.50000000000000 0.76982790150179 0.08953151211084 15.999 > 16 96 O 0.83333333333333 0.76982790150179 0.08953151211084 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1788639 0.0000000 0.0000000 0.0000000 4.0740166 0.0000000 0.0000000 0.0000000 4.1473118 -------------------------- Born effective charges -------------------------- 1 Y 3.7472702 0.0000000 0.0000000 0.0000000 3.3621263 -0.1878165 0.0000000 -0.0962302 4.0401183 2 Y 3.7472702 0.0000000 0.0000000 0.0000000 3.3621263 -0.1878165 0.0000000 -0.0962302 4.0401183 3 Y 3.7472702 0.0000000 0.0000000 0.0000000 3.3621263 0.1878165 0.0000000 0.0962302 4.0401183 4 Y 3.7472702 0.0000000 0.0000000 0.0000000 3.3621263 0.1878165 0.0000000 0.0962302 4.0401183 5 Y 3.7717267 0.0000000 0.0000000 0.0000000 3.9291007 0.0000000 0.0000000 0.0000000 3.5246594 6 Y 3.7717267 0.0000000 0.0000000 0.0000000 3.9291007 0.0000000 0.0000000 0.0000000 3.5246594 7 Br -1.5720720 0.0000000 0.0000000 0.0000000 -1.3476451 -0.1953285 0.0000000 -0.2414508 -1.0114298 8 Br -1.5720720 0.0000000 0.0000000 0.0000000 -1.3476451 0.1953285 0.0000000 0.2414508 -1.0114298 9 O -2.7868316 0.0000000 0.0000000 0.0000000 -1.9838581 0.0000000 0.0000000 0.0000000 -2.4633508 10 O -2.8307470 0.0000000 0.0000000 0.0000000 -1.9837253 0.1444126 0.0000000 0.1573239 -2.6314347 11 O -2.8307470 0.0000000 0.0000000 0.0000000 -1.9837253 -0.1444126 0.0000000 -0.1573239 -2.6314347 12 O -2.7868316 0.0000000 0.0000000 0.0000000 -1.9838581 0.0000000 0.0000000 0.0000000 -2.4633508 13 O -2.8307470 0.0000000 0.0000000 0.0000000 -1.9837253 0.1444126 0.0000000 0.1573239 -2.6314347 14 O -1.2458695 0.0000000 0.0000000 0.0000000 -3.3543995 0.0000000 0.0000000 0.0000000 -2.8672460 15 O -1.2458695 0.0000000 0.0000000 0.0000000 -3.3543995 0.0000000 0.0000000 0.0000000 -2.8672460 16 O -2.8307470 0.0000000 0.0000000 0.0000000 -1.9837253 -0.1444126 0.0000000 -0.1573239 -2.6314347 ---------------------------------------------------------------------------- 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: 8436/8436 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1016 Number of blocks in projector: 1016 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: 224 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 108 Use standard eigh solver. Tree of FC basis block matrices: - (1016, 992), data: False |-- (108, 108), data: True |-- (144, 144), data: True |-- (180, 174), data: True |-- (180, 174), data: True |-- (180, 174), data: True |-- (224, 218), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.891 Solver_block: 200 / 240 - Time: 0.913 Solver_block: 240 / 240 - Time: 0.420 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.243 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 8436/8436 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1016 Number of blocks in projector: 1016 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: 224 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 108 Use standard eigh solver. Tree of FC basis block matrices: - (1016, 992), data: False |-- (108, 108), data: True |-- (144, 144), data: True |-- (180, 174), data: True |-- (180, 174), data: True |-- (180, 174), data: True |-- (224, 218), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:23:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:23:45]------------------------- 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): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.016002555000000 -5.818283390000000 0.000000000000000 b 2.016002555000000 5.818283390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.538743309999999 Atomic positions (fractional): 1 Y 0.31489402117694 0.68510597882306 0.10278032153039 88.906 2 Y 0.68510597882306 0.31489402117694 0.89721967846961 88.906 3 Y 0.68510597882306 0.31489402117694 0.60278032153039 88.906 4 Y 0.31489402117694 0.68510597882306 0.39721967846961 88.906 5 Y 0.61882662660672 0.38117337339328 0.25000000000000 88.906 6 Y 0.38117337339328 0.61882662660672 0.75000000000000 88.906 7 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 8 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 9 O 0.19207784660697 0.80792215339303 0.25000000000000 15.999 10 O 0.26982790150179 0.73017209849821 0.58953151211084 15.999 11 O 0.26982790150179 0.73017209849821 0.91046848788916 15.999 12 O 0.80792215339303 0.19207784660697 0.75000000000000 15.999 13 O 0.73017209849821 0.26982790150179 0.41046848788916 15.999 14 O 0.43402564801925 0.56597435198075 0.25000000000000 15.999 15 O 0.56597435198075 0.43402564801925 0.75000000000000 15.999 16 O 0.73017209849821 0.26982790150179 0.08953151211084 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.096015330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.636566780000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.538743309999999 Atomic positions (fractional): 1 Y 0.16666666666667 0.18510597882306 0.10278032153039 88.906 > 1 2 Y 0.50000000000000 0.18510597882306 0.10278032153039 88.906 > 1 3 Y 0.83333333333333 0.18510597882306 0.10278032153039 88.906 > 1 4 Y 0.00000000000000 0.31489402117694 0.89721967846961 88.906 > 4 5 Y 0.33333333333333 0.31489402117694 0.89721967846961 88.906 > 4 6 Y 0.66666666666667 0.31489402117694 0.89721967846961 88.906 > 4 7 Y 0.00000000000000 0.31489402117694 0.60278032153039 88.906 > 7 8 Y 0.33333333333333 0.31489402117694 0.60278032153039 88.906 > 7 9 Y 0.66666666666667 0.31489402117694 0.60278032153039 88.906 > 7 10 Y 0.16666666666667 0.18510597882306 0.39721967846961 88.906 > 10 11 Y 0.50000000000000 0.18510597882306 0.39721967846961 88.906 > 10 12 Y 0.83333333333333 0.18510597882306 0.39721967846961 88.906 > 10 13 Y 0.00000000000000 0.38117337339328 0.25000000000000 88.906 > 13 14 Y 0.33333333333333 0.38117337339328 0.25000000000000 88.906 > 13 15 Y 0.66666666666667 0.38117337339328 0.25000000000000 88.906 > 13 16 Y 0.16666666666667 0.11882662660672 0.75000000000000 88.906 > 16 17 Y 0.50000000000000 0.11882662660672 0.75000000000000 88.906 > 16 18 Y 0.83333333333333 0.11882662660672 0.75000000000000 88.906 > 16 19 Y 0.00000000000000 0.68510597882306 0.10278032153039 88.906 > 1 20 Y 0.33333333333333 0.68510597882306 0.10278032153039 88.906 > 1 21 Y 0.66666666666667 0.68510597882306 0.10278032153039 88.906 > 1 22 Y 0.16666666666667 0.81489402117694 0.89721967846961 88.906 > 4 23 Y 0.50000000000000 0.81489402117694 0.89721967846961 88.906 > 4 24 Y 0.83333333333333 0.81489402117694 0.89721967846961 88.906 > 4 25 Y 0.16666666666667 0.81489402117694 0.60278032153039 88.906 > 7 26 Y 0.50000000000000 0.81489402117694 0.60278032153039 88.906 > 7 27 Y 0.83333333333333 0.81489402117694 0.60278032153039 88.906 > 7 28 Y 0.00000000000000 0.68510597882306 0.39721967846961 88.906 > 10 29 Y 0.33333333333333 0.68510597882306 0.39721967846961 88.906 > 10 30 Y 0.66666666666667 0.68510597882306 0.39721967846961 88.906 > 10 31 Y 0.16666666666667 0.88117337339328 0.25000000000000 88.906 > 13 32 Y 0.50000000000000 0.88117337339328 0.25000000000000 88.906 > 13 33 Y 0.83333333333333 0.88117337339328 0.25000000000000 88.906 > 13 34 Y 0.00000000000000 0.61882662660672 0.75000000000000 88.906 > 16 35 Y 0.33333333333333 0.61882662660672 0.75000000000000 88.906 > 16 36 Y 0.66666666666667 0.61882662660672 0.75000000000000 88.906 > 16 37 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 37 38 Br 0.33333333333333 0.00000000000000 0.00000000000000 79.904 > 37 39 Br 0.66666666666667 0.00000000000000 0.00000000000000 79.904 > 37 40 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 > 40 41 Br 0.33333333333333 0.00000000000000 0.50000000000000 79.904 > 40 42 Br 0.66666666666667 0.00000000000000 0.50000000000000 79.904 > 40 43 Br 0.16666666666667 0.50000000000000 0.00000000000000 79.904 > 37 44 Br 0.50000000000000 0.50000000000000 0.00000000000000 79.904 > 37 45 Br 0.83333333333333 0.50000000000000 0.00000000000000 79.904 > 37 46 Br 0.16666666666667 0.50000000000000 0.50000000000000 79.904 > 40 47 Br 0.50000000000000 0.50000000000000 0.50000000000000 79.904 > 40 48 Br 0.83333333333333 0.50000000000000 0.50000000000000 79.904 > 40 49 O 0.16666666666667 0.30792215339303 0.25000000000000 15.999 > 49 50 O 0.50000000000000 0.30792215339303 0.25000000000000 15.999 > 49 51 O 0.83333333333333 0.30792215339303 0.25000000000000 15.999 > 49 52 O 0.16666666666667 0.23017209849821 0.58953151211084 15.999 > 52 53 O 0.50000000000000 0.23017209849821 0.58953151211084 15.999 > 52 54 O 0.83333333333333 0.23017209849821 0.58953151211084 15.999 > 52 55 O 0.16666666666667 0.23017209849821 0.91046848788916 15.999 > 55 56 O 0.50000000000000 0.23017209849821 0.91046848788916 15.999 > 55 57 O 0.83333333333333 0.23017209849821 0.91046848788916 15.999 > 55 58 O 0.00000000000000 0.19207784660697 0.75000000000000 15.999 > 58 59 O 0.33333333333333 0.19207784660697 0.75000000000000 15.999 > 58 60 O 0.66666666666667 0.19207784660697 0.75000000000000 15.999 > 58 61 O 0.00000000000000 0.26982790150179 0.41046848788916 15.999 > 61 62 O 0.33333333333333 0.26982790150179 0.41046848788916 15.999 > 61 63 O 0.66666666666667 0.26982790150179 0.41046848788916 15.999 > 61 64 O 0.16666666666667 0.06597435198075 0.25000000000000 15.999 > 64 65 O 0.50000000000000 0.06597435198075 0.25000000000000 15.999 > 64 66 O 0.83333333333333 0.06597435198075 0.25000000000000 15.999 > 64 67 O 0.00000000000000 0.43402564801925 0.75000000000000 15.999 > 67 68 O 0.33333333333333 0.43402564801925 0.75000000000000 15.999 > 67 69 O 0.66666666666667 0.43402564801925 0.75000000000000 15.999 > 67 70 O 0.00000000000000 0.26982790150179 0.08953151211084 15.999 > 70 71 O 0.33333333333333 0.26982790150179 0.08953151211084 15.999 > 70 72 O 0.66666666666667 0.26982790150179 0.08953151211084 15.999 > 70 73 O 0.00000000000000 0.80792215339303 0.25000000000000 15.999 > 49 74 O 0.33333333333333 0.80792215339303 0.25000000000000 15.999 > 49 75 O 0.66666666666667 0.80792215339303 0.25000000000000 15.999 > 49 76 O 0.00000000000000 0.73017209849821 0.58953151211084 15.999 > 52 77 O 0.33333333333333 0.73017209849821 0.58953151211084 15.999 > 52 78 O 0.66666666666667 0.73017209849821 0.58953151211084 15.999 > 52 79 O 0.00000000000000 0.73017209849821 0.91046848788916 15.999 > 55 80 O 0.33333333333333 0.73017209849821 0.91046848788916 15.999 > 55 81 O 0.66666666666667 0.73017209849821 0.91046848788916 15.999 > 55 82 O 0.16666666666667 0.69207784660697 0.75000000000000 15.999 > 58 83 O 0.50000000000000 0.69207784660697 0.75000000000000 15.999 > 58 84 O 0.83333333333333 0.69207784660697 0.75000000000000 15.999 > 58 85 O 0.16666666666667 0.76982790150179 0.41046848788916 15.999 > 61 86 O 0.50000000000000 0.76982790150179 0.41046848788916 15.999 > 61 87 O 0.83333333333333 0.76982790150179 0.41046848788916 15.999 > 61 88 O 0.00000000000000 0.56597435198075 0.25000000000000 15.999 > 64 89 O 0.33333333333333 0.56597435198075 0.25000000000000 15.999 > 64 90 O 0.66666666666667 0.56597435198075 0.25000000000000 15.999 > 64 91 O 0.16666666666667 0.93402564801925 0.75000000000000 15.999 > 67 92 O 0.50000000000000 0.93402564801925 0.75000000000000 15.999 > 67 93 O 0.83333333333333 0.93402564801925 0.75000000000000 15.999 > 67 94 O 0.16666666666667 0.76982790150179 0.08953151211084 15.999 > 70 95 O 0.50000000000000 0.76982790150179 0.08953151211084 15.999 > 70 96 O 0.83333333333333 0.76982790150179 0.08953151211084 15.999 > 70 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1788639 0.0000000 0.0000000 0.0000000 4.0740166 0.0000000 0.0000000 0.0000000 4.1473118 -------------------------- Born effective charges -------------------------- 1 Y 3.7472702 0.0000000 0.0000000 0.0000000 3.3621263 -0.1878165 0.0000000 -0.0962302 4.0401183 2 Y 3.7472702 0.0000000 0.0000000 0.0000000 3.3621263 -0.1878165 0.0000000 -0.0962302 4.0401183 3 Y 3.7472702 0.0000000 0.0000000 0.0000000 3.3621263 0.1878165 0.0000000 0.0962302 4.0401183 4 Y 3.7472702 0.0000000 0.0000000 0.0000000 3.3621263 0.1878165 0.0000000 0.0962302 4.0401183 5 Y 3.7717267 0.0000000 0.0000000 0.0000000 3.9291007 0.0000000 0.0000000 0.0000000 3.5246594 6 Y 3.7717267 0.0000000 0.0000000 0.0000000 3.9291007 0.0000000 0.0000000 0.0000000 3.5246594 7 Br -1.5720720 0.0000000 0.0000000 0.0000000 -1.3476451 -0.1953285 0.0000000 -0.2414508 -1.0114298 8 Br -1.5720720 0.0000000 0.0000000 0.0000000 -1.3476451 0.1953285 0.0000000 0.2414508 -1.0114298 9 O -2.7868316 0.0000000 0.0000000 0.0000000 -1.9838581 0.0000000 0.0000000 0.0000000 -2.4633508 10 O -2.8307470 0.0000000 0.0000000 0.0000000 -1.9837253 0.1444126 0.0000000 0.1573239 -2.6314347 11 O -2.8307470 0.0000000 0.0000000 0.0000000 -1.9837253 -0.1444126 0.0000000 -0.1573239 -2.6314347 12 O -2.7868316 0.0000000 0.0000000 0.0000000 -1.9838581 0.0000000 0.0000000 0.0000000 -2.4633508 13 O -2.8307470 0.0000000 0.0000000 0.0000000 -1.9837253 0.1444126 0.0000000 0.1573239 -2.6314347 14 O -1.2458695 0.0000000 0.0000000 0.0000000 -3.3543995 0.0000000 0.0000000 0.0000000 -2.8672460 15 O -1.2458695 0.0000000 0.0000000 0.0000000 -3.3543995 0.0000000 0.0000000 0.0000000 -2.8672460 16 O -2.8307470 0.0000000 0.0000000 0.0000000 -1.9837253 -0.1444126 0.0000000 -0.1573239 -2.6314347 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 52, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 64, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zyz) 0.00000001 (zyz) 0.00000001 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 15:23:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:23:59]------------------------- 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): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.016002555000000 -5.818283390000000 0.000000000000000 b 2.016002555000000 5.818283390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.538743309999999 Atomic positions (fractional): 1 Y 0.31489402117694 0.68510597882306 0.10278032153039 88.906 2 Y 0.68510597882306 0.31489402117694 0.89721967846961 88.906 3 Y 0.68510597882306 0.31489402117694 0.60278032153039 88.906 4 Y 0.31489402117694 0.68510597882306 0.39721967846961 88.906 5 Y 0.61882662660672 0.38117337339328 0.25000000000000 88.906 6 Y 0.38117337339328 0.61882662660672 0.75000000000000 88.906 7 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 8 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 9 O 0.19207784660697 0.80792215339303 0.25000000000000 15.999 10 O 0.26982790150179 0.73017209849821 0.58953151211084 15.999 11 O 0.26982790150179 0.73017209849821 0.91046848788916 15.999 12 O 0.80792215339303 0.19207784660697 0.75000000000000 15.999 13 O 0.73017209849821 0.26982790150179 0.41046848788916 15.999 14 O 0.43402564801925 0.56597435198075 0.25000000000000 15.999 15 O 0.56597435198075 0.43402564801925 0.75000000000000 15.999 16 O 0.73017209849821 0.26982790150179 0.08953151211084 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.096015330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.636566780000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.538743309999999 Atomic positions (fractional): 1 Y 0.16666666666667 0.18510597882306 0.10278032153039 88.906 > 1 2 Y 0.50000000000000 0.18510597882306 0.10278032153039 88.906 > 1 3 Y 0.83333333333333 0.18510597882306 0.10278032153039 88.906 > 1 4 Y 0.00000000000000 0.31489402117694 0.89721967846961 88.906 > 4 5 Y 0.33333333333333 0.31489402117694 0.89721967846961 88.906 > 4 6 Y 0.66666666666667 0.31489402117694 0.89721967846961 88.906 > 4 7 Y 0.00000000000000 0.31489402117694 0.60278032153039 88.906 > 7 8 Y 0.33333333333333 0.31489402117694 0.60278032153039 88.906 > 7 9 Y 0.66666666666667 0.31489402117694 0.60278032153039 88.906 > 7 10 Y 0.16666666666667 0.18510597882306 0.39721967846961 88.906 > 10 11 Y 0.50000000000000 0.18510597882306 0.39721967846961 88.906 > 10 12 Y 0.83333333333333 0.18510597882306 0.39721967846961 88.906 > 10 13 Y 0.00000000000000 0.38117337339328 0.25000000000000 88.906 > 13 14 Y 0.33333333333333 0.38117337339328 0.25000000000000 88.906 > 13 15 Y 0.66666666666667 0.38117337339328 0.25000000000000 88.906 > 13 16 Y 0.16666666666667 0.11882662660672 0.75000000000000 88.906 > 16 17 Y 0.50000000000000 0.11882662660672 0.75000000000000 88.906 > 16 18 Y 0.83333333333333 0.11882662660672 0.75000000000000 88.906 > 16 19 Y 0.00000000000000 0.68510597882306 0.10278032153039 88.906 > 1 20 Y 0.33333333333333 0.68510597882306 0.10278032153039 88.906 > 1 21 Y 0.66666666666667 0.68510597882306 0.10278032153039 88.906 > 1 22 Y 0.16666666666667 0.81489402117694 0.89721967846961 88.906 > 4 23 Y 0.50000000000000 0.81489402117694 0.89721967846961 88.906 > 4 24 Y 0.83333333333333 0.81489402117694 0.89721967846961 88.906 > 4 25 Y 0.16666666666667 0.81489402117694 0.60278032153039 88.906 > 7 26 Y 0.50000000000000 0.81489402117694 0.60278032153039 88.906 > 7 27 Y 0.83333333333333 0.81489402117694 0.60278032153039 88.906 > 7 28 Y 0.00000000000000 0.68510597882306 0.39721967846961 88.906 > 10 29 Y 0.33333333333333 0.68510597882306 0.39721967846961 88.906 > 10 30 Y 0.66666666666667 0.68510597882306 0.39721967846961 88.906 > 10 31 Y 0.16666666666667 0.88117337339328 0.25000000000000 88.906 > 13 32 Y 0.50000000000000 0.88117337339328 0.25000000000000 88.906 > 13 33 Y 0.83333333333333 0.88117337339328 0.25000000000000 88.906 > 13 34 Y 0.00000000000000 0.61882662660672 0.75000000000000 88.906 > 16 35 Y 0.33333333333333 0.61882662660672 0.75000000000000 88.906 > 16 36 Y 0.66666666666667 0.61882662660672 0.75000000000000 88.906 > 16 37 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 37 38 Br 0.33333333333333 0.00000000000000 0.00000000000000 79.904 > 37 39 Br 0.66666666666667 0.00000000000000 0.00000000000000 79.904 > 37 40 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 > 40 41 Br 0.33333333333333 0.00000000000000 0.50000000000000 79.904 > 40 42 Br 0.66666666666667 0.00000000000000 0.50000000000000 79.904 > 40 43 Br 0.16666666666667 0.50000000000000 0.00000000000000 79.904 > 37 44 Br 0.50000000000000 0.50000000000000 0.00000000000000 79.904 > 37 45 Br 0.83333333333333 0.50000000000000 0.00000000000000 79.904 > 37 46 Br 0.16666666666667 0.50000000000000 0.50000000000000 79.904 > 40 47 Br 0.50000000000000 0.50000000000000 0.50000000000000 79.904 > 40 48 Br 0.83333333333333 0.50000000000000 0.50000000000000 79.904 > 40 49 O 0.16666666666667 0.30792215339303 0.25000000000000 15.999 > 49 50 O 0.50000000000000 0.30792215339303 0.25000000000000 15.999 > 49 51 O 0.83333333333333 0.30792215339303 0.25000000000000 15.999 > 49 52 O 0.16666666666667 0.23017209849821 0.58953151211084 15.999 > 52 53 O 0.50000000000000 0.23017209849821 0.58953151211084 15.999 > 52 54 O 0.83333333333333 0.23017209849821 0.58953151211084 15.999 > 52 55 O 0.16666666666667 0.23017209849821 0.91046848788916 15.999 > 55 56 O 0.50000000000000 0.23017209849821 0.91046848788916 15.999 > 55 57 O 0.83333333333333 0.23017209849821 0.91046848788916 15.999 > 55 58 O 0.00000000000000 0.19207784660697 0.75000000000000 15.999 > 58 59 O 0.33333333333333 0.19207784660697 0.75000000000000 15.999 > 58 60 O 0.66666666666667 0.19207784660697 0.75000000000000 15.999 > 58 61 O 0.00000000000000 0.26982790150179 0.41046848788916 15.999 > 61 62 O 0.33333333333333 0.26982790150179 0.41046848788916 15.999 > 61 63 O 0.66666666666667 0.26982790150179 0.41046848788916 15.999 > 61 64 O 0.16666666666667 0.06597435198075 0.25000000000000 15.999 > 64 65 O 0.50000000000000 0.06597435198075 0.25000000000000 15.999 > 64 66 O 0.83333333333333 0.06597435198075 0.25000000000000 15.999 > 64 67 O 0.00000000000000 0.43402564801925 0.75000000000000 15.999 > 67 68 O 0.33333333333333 0.43402564801925 0.75000000000000 15.999 > 67 69 O 0.66666666666667 0.43402564801925 0.75000000000000 15.999 > 67 70 O 0.00000000000000 0.26982790150179 0.08953151211084 15.999 > 70 71 O 0.33333333333333 0.26982790150179 0.08953151211084 15.999 > 70 72 O 0.66666666666667 0.26982790150179 0.08953151211084 15.999 > 70 73 O 0.00000000000000 0.80792215339303 0.25000000000000 15.999 > 49 74 O 0.33333333333333 0.80792215339303 0.25000000000000 15.999 > 49 75 O 0.66666666666667 0.80792215339303 0.25000000000000 15.999 > 49 76 O 0.00000000000000 0.73017209849821 0.58953151211084 15.999 > 52 77 O 0.33333333333333 0.73017209849821 0.58953151211084 15.999 > 52 78 O 0.66666666666667 0.73017209849821 0.58953151211084 15.999 > 52 79 O 0.00000000000000 0.73017209849821 0.91046848788916 15.999 > 55 80 O 0.33333333333333 0.73017209849821 0.91046848788916 15.999 > 55 81 O 0.66666666666667 0.73017209849821 0.91046848788916 15.999 > 55 82 O 0.16666666666667 0.69207784660697 0.75000000000000 15.999 > 58 83 O 0.50000000000000 0.69207784660697 0.75000000000000 15.999 > 58 84 O 0.83333333333333 0.69207784660697 0.75000000000000 15.999 > 58 85 O 0.16666666666667 0.76982790150179 0.41046848788916 15.999 > 61 86 O 0.50000000000000 0.76982790150179 0.41046848788916 15.999 > 61 87 O 0.83333333333333 0.76982790150179 0.41046848788916 15.999 > 61 88 O 0.00000000000000 0.56597435198075 0.25000000000000 15.999 > 64 89 O 0.33333333333333 0.56597435198075 0.25000000000000 15.999 > 64 90 O 0.66666666666667 0.56597435198075 0.25000000000000 15.999 > 64 91 O 0.16666666666667 0.93402564801925 0.75000000000000 15.999 > 67 92 O 0.50000000000000 0.93402564801925 0.75000000000000 15.999 > 67 93 O 0.83333333333333 0.93402564801925 0.75000000000000 15.999 > 67 94 O 0.16666666666667 0.76982790150179 0.08953151211084 15.999 > 70 95 O 0.50000000000000 0.76982790150179 0.08953151211084 15.999 > 70 96 O 0.83333333333333 0.76982790150179 0.08953151211084 15.999 > 70 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1788639 0.0000000 0.0000000 0.0000000 4.0740166 0.0000000 0.0000000 0.0000000 4.1473118 -------------------------- Born effective charges -------------------------- 1 Y 3.7472702 0.0000000 0.0000000 0.0000000 3.3621263 -0.1878165 0.0000000 -0.0962302 4.0401183 2 Y 3.7472702 0.0000000 0.0000000 0.0000000 3.3621263 -0.1878165 0.0000000 -0.0962302 4.0401183 3 Y 3.7472702 0.0000000 0.0000000 0.0000000 3.3621263 0.1878165 0.0000000 0.0962302 4.0401183 4 Y 3.7472702 0.0000000 0.0000000 0.0000000 3.3621263 0.1878165 0.0000000 0.0962302 4.0401183 5 Y 3.7717267 0.0000000 0.0000000 0.0000000 3.9291007 0.0000000 0.0000000 0.0000000 3.5246594 6 Y 3.7717267 0.0000000 0.0000000 0.0000000 3.9291007 0.0000000 0.0000000 0.0000000 3.5246594 7 Br -1.5720720 0.0000000 0.0000000 0.0000000 -1.3476451 -0.1953285 0.0000000 -0.2414508 -1.0114298 8 Br -1.5720720 0.0000000 0.0000000 0.0000000 -1.3476451 0.1953285 0.0000000 0.2414508 -1.0114298 9 O -2.7868316 0.0000000 0.0000000 0.0000000 -1.9838581 0.0000000 0.0000000 0.0000000 -2.4633508 10 O -2.8307470 0.0000000 0.0000000 0.0000000 -1.9837253 0.1444126 0.0000000 0.1573239 -2.6314347 11 O -2.8307470 0.0000000 0.0000000 0.0000000 -1.9837253 -0.1444126 0.0000000 -0.1573239 -2.6314347 12 O -2.7868316 0.0000000 0.0000000 0.0000000 -1.9838581 0.0000000 0.0000000 0.0000000 -2.4633508 13 O -2.8307470 0.0000000 0.0000000 0.0000000 -1.9837253 0.1444126 0.0000000 0.1573239 -2.6314347 14 O -1.2458695 0.0000000 0.0000000 0.0000000 -3.3543995 0.0000000 0.0000000 0.0000000 -2.8672460 15 O -1.2458695 0.0000000 0.0000000 0.0000000 -3.3543995 0.0000000 0.0000000 0.0000000 -2.8672460 16 O -2.8307470 0.0000000 0.0000000 0.0000000 -1.9837253 -0.1444126 0.0000000 -0.1573239 -2.6314347 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zyz) 0.00000001 (zyz) 0.00000001 (zzy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 4 ] 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: 303, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 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 1.285 ( 0.000 0.000 0.000) 0.000 1.835 ( 0.000 0.000 0.000) 0.000 1.884 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 4.262 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 4.991 ( 0.000 0.000 0.000) 0.000 5.043 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 7.820 ( 0.000 0.000 0.000) 0.000 8.806 ( 0.000 0.000 0.000) 0.000 9.778 ( 0.000 0.000 0.000) 0.000 9.960 ( 0.000 0.000 0.000) 0.000 10.721 ( 0.000 0.000 0.000) 0.000 10.765 ( 0.000 0.000 0.000) 0.000 10.951 ( 0.000 0.000 0.000) 0.000 11.082 ( 0.000 0.000 0.000) 0.000 11.632 ( 0.000 0.000 0.000) 0.000 12.224 ( 0.000 0.000 0.000) 0.000 12.294 ( 0.000 0.000 0.000) 0.000 12.756 ( 0.000 0.000 0.000) 0.000 13.025 ( 0.000 0.000 0.000) 0.000 13.231 ( 0.000 0.000 0.000) 0.000 13.587 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.490 ( 0.000 0.000 0.000) 0.000 14.911 ( 0.000 0.000 0.000) 0.000 15.890 ( 0.000 0.000 0.000) 0.000 16.019 ( 0.000 0.000 0.000) 0.000 16.183 ( 0.000 0.000 0.000) 0.000 17.253 ( 0.000 0.000 0.000) 0.000 17.273 ( 0.000 0.000 0.000) 0.000 17.775 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 12.710 -33.301 0.000) 35.644 0.704 ( 32.938 -5.452 0.000) 33.386 1.084 ( 49.433 -8.652 0.000) 50.184 1.374 ( 9.239 -1.161 0.000) 9.312 1.885 ( 4.663 -0.462 0.000) 4.686 1.996 ( -3.003 1.851 0.000) 3.528 2.386 ( 2.919 3.649 0.000) 4.673 2.544 ( 13.671 7.624 0.000) 15.653 2.797 ( -0.211 0.871 0.000) 0.896 3.084 ( 4.663 -1.755 0.000) 4.982 3.223 ( -6.255 -0.165 0.000) 6.257 3.499 ( -3.655 -14.032 0.000) 14.500 3.649 ( 0.456 2.421 0.000) 2.464 4.396 ( 13.433 7.789 0.000) 15.528 4.756 ( 5.838 -2.965 0.000) 6.548 4.915 ( 13.555 3.496 0.000) 13.998 5.026 ( -1.827 -0.312 0.000) 1.854 5.113 ( 13.068 2.811 0.000) 13.367 5.832 ( 11.771 2.912 0.000) 12.126 5.937 ( 9.865 -5.204 0.000) 11.154 6.074 ( 5.604 4.850 0.000) 7.411 6.184 ( 2.264 -8.527 0.000) 8.822 6.374 ( 13.514 0.761 0.000) 13.536 7.702 ( -0.188 10.591 0.000) 10.593 7.855 ( -0.617 -5.720 0.000) 5.753 8.786 ( -1.232 1.644 0.000) 2.055 9.716 ( -5.889 1.585 0.000) 6.098 9.925 ( -3.462 0.288 0.000) 3.474 10.692 ( -4.481 -2.182 0.000) 4.984 10.712 ( -7.392 -3.405 0.000) 8.138 10.966 ( -1.198 0.626 0.000) 1.351 11.001 ( -6.089 -3.568 0.000) 7.058 12.200 ( -4.384 0.688 0.000) 4.437 12.228 ( -4.877 -2.810 0.000) 5.628 12.552 ( -18.460 1.821 0.000) 18.550 12.911 ( -4.343 14.597 0.000) 15.229 13.041 ( 4.324 22.399 0.000) 22.813 13.323 ( -22.914 -0.074 0.000) 22.914 14.093 ( -11.605 1.206 0.000) 11.667 14.472 ( -2.078 0.147 0.000) 2.083 15.172 ( 22.533 -0.684 0.000) 22.543 15.396 ( -7.612 -4.171 0.000) 8.680 15.647 ( -15.457 3.862 0.000) 15.932 16.448 ( 18.691 3.331 0.000) 18.985 17.195 ( 24.219 35.988 0.000) 43.379 17.255 ( 0.931 7.776 0.000) 7.832 17.824 ( -4.169 -31.841 0.000) 32.112 18.068 ( 2.263 -26.157 0.000) 26.254 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 16.561 -29.280 0.000) 33.639 1.263 ( 20.715 -4.509 0.000) 21.200 1.684 ( 22.576 -1.304 0.000) 22.614 1.866 ( 12.372 0.920 0.000) 12.406 1.951 ( 12.986 -5.522 0.000) 14.111 1.998 ( 6.247 -1.558 0.000) 6.439 2.480 ( 6.446 -6.570 0.000) 9.204 2.786 ( 1.073 3.622 0.000) 3.778 2.860 ( 23.584 5.108 0.000) 24.131 3.163 ( 0.670 -2.459 0.000) 2.548 3.248 ( 10.286 -5.848 0.000) 11.832 3.540 ( 1.002 -7.612 0.000) 7.677 3.648 ( 1.912 4.402 0.000) 4.799 4.552 ( 10.370 15.554 0.000) 18.694 4.930 ( 1.353 -4.874 0.000) 5.058 5.013 ( 4.730 -6.411 0.000) 7.967 5.220 ( 20.746 8.234 0.000) 22.321 5.417 ( 21.031 6.078 0.000) 21.891 6.082 ( 15.901 2.322 0.000) 16.069 6.198 ( 10.161 1.388 0.000) 10.255 6.315 ( 23.009 -11.790 0.000) 25.854 6.339 ( 8.985 -5.575 0.000) 10.574 6.681 ( 18.771 4.347 0.000) 19.267 7.664 ( 2.988 5.830 0.000) 6.551 7.852 ( -0.889 2.033 0.000) 2.219 8.754 ( -0.538 1.595 0.000) 1.683 9.537 ( -11.270 2.287 0.000) 11.500 9.835 ( -5.461 0.164 0.000) 5.464 10.535 ( -13.447 -3.646 0.000) 13.933 10.558 ( -12.214 -5.150 0.000) 13.255 10.748 ( -15.214 -1.708 0.000) 15.310 11.074 ( 5.732 -1.454 0.000) 5.914 12.053 ( -8.093 0.586 0.000) 8.114 12.150 ( -19.491 2.788 0.000) 19.689 12.181 ( -4.047 -3.874 0.000) 5.602 12.671 ( -14.939 2.166 0.000) 15.095 12.857 ( -23.954 -0.592 0.000) 23.961 12.917 ( -9.734 -0.740 0.000) 9.762 13.793 ( -18.542 0.554 0.000) 18.550 14.398 ( -5.714 0.261 0.000) 5.720 15.249 ( -5.064 10.621 0.000) 11.766 15.338 ( -10.652 12.457 0.000) 16.390 15.645 ( 24.764 -0.821 0.000) 24.778 16.737 ( 12.745 1.105 0.000) 12.793 17.211 ( 1.580 12.347 0.000) 12.448 17.363 ( 7.496 9.109 0.000) 11.797 18.088 ( 12.130 -21.814 0.000) 24.959 18.339 ( 13.491 -7.873 0.000) 15.620 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 16.610 -22.650 0.000) 28.088 1.589 ( 12.603 -2.215 0.000) 12.796 1.827 ( -0.841 0.557 0.000) 1.008 2.034 ( 8.375 2.903 0.000) 8.864 2.274 ( 23.496 -7.391 0.000) 24.631 2.330 ( 13.183 -2.597 0.000) 13.436 2.720 ( 10.960 -13.965 0.000) 17.752 2.819 ( 5.761 4.603 0.000) 7.374 3.216 ( 11.567 3.150 0.000) 11.988 3.288 ( 9.152 -4.184 0.000) 10.063 3.606 ( 22.221 -10.676 0.000) 24.653 3.674 ( 5.107 6.563 0.000) 8.316 3.684 ( 10.494 -6.284 0.000) 12.232 4.614 ( 6.696 12.944 0.000) 14.574 4.855 ( -6.400 0.402 0.000) 6.413 5.212 ( 3.297 -13.441 0.000) 13.839 5.531 ( 17.891 12.807 0.000) 22.002 5.790 ( 22.087 10.620 0.000) 24.508 6.388 ( 17.437 3.798 0.000) 17.845 6.451 ( 15.946 -0.213 0.000) 15.947 6.598 ( 15.759 -1.762 0.000) 15.858 6.914 ( 28.955 -12.691 0.000) 31.614 6.991 ( 17.489 4.985 0.000) 18.185 7.744 ( 1.962 -4.236 0.000) 4.668 7.838 ( 9.323 12.173 0.000) 15.333 8.756 ( 1.524 0.684 0.000) 1.670 9.276 ( -13.739 2.066 0.000) 13.893 9.733 ( -4.724 -0.267 0.000) 4.732 10.272 ( -15.812 -4.278 0.000) 16.381 10.299 ( -18.734 -6.709 0.000) 19.899 10.474 ( -13.688 -1.581 0.000) 13.779 11.171 ( 1.888 -0.393 0.000) 1.928 11.824 ( -12.662 2.180 0.000) 12.848 11.908 ( -7.006 -0.540 0.000) 7.027 12.122 ( -4.142 -2.817 0.000) 5.009 12.327 ( -20.767 -3.244 0.000) 21.018 12.485 ( -13.929 -1.417 0.000) 14.001 12.687 ( -17.669 -9.976 0.000) 20.290 13.400 ( -21.889 0.761 0.000) 21.903 14.245 ( -10.029 0.563 0.000) 10.045 15.060 ( -5.127 16.672 0.000) 17.442 15.110 ( -4.042 13.352 0.000) 13.951 16.091 ( 20.936 -0.671 0.000) 20.947 16.914 ( 6.988 2.615 0.000) 7.462 17.156 ( 1.450 12.991 0.000) 13.072 17.397 ( -0.336 -2.699 0.000) 2.720 18.472 ( 15.492 -9.063 0.000) 17.948 18.660 ( 14.091 -7.511 0.000) 15.968 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -0.656 -2.546 0.000) 2.629 1.787 ( 7.292 -0.161 0.000) 7.294 2.046 ( 17.445 -13.551 0.000) 22.090 2.133 ( 5.294 2.222 0.000) 5.741 2.535 ( 7.749 -2.085 0.000) 8.025 2.773 ( 19.726 -8.404 0.000) 21.441 2.957 ( 12.659 3.884 0.000) 13.242 3.041 ( 11.726 -13.567 0.000) 17.932 3.305 ( 1.360 -0.605 0.000) 1.489 3.490 ( 7.943 0.034 0.000) 7.943 3.806 ( 14.010 3.741 0.000) 14.501 3.997 ( 15.502 -10.120 0.000) 18.513 4.132 ( 23.246 -9.528 0.000) 25.123 4.626 ( 0.080 10.884 0.000) 10.884 4.731 ( -3.837 -1.454 0.000) 4.104 5.283 ( -4.611 -12.719 0.000) 13.529 5.700 ( 9.011 15.064 0.000) 17.553 6.061 ( 14.813 16.141 0.000) 21.908 6.667 ( 14.829 6.669 0.000) 16.260 6.753 ( 15.445 2.268 0.000) 15.610 6.961 ( 19.967 -2.437 0.000) 20.115 7.252 ( 14.021 2.929 0.000) 14.324 7.544 ( 20.949 -17.368 0.000) 27.212 7.771 ( 9.478 10.687 0.000) 14.285 8.091 ( 17.302 1.040 0.000) 17.333 8.793 ( 2.369 0.651 0.000) 2.457 9.027 ( -10.086 1.216 0.000) 10.159 9.676 ( -1.134 -0.251 0.000) 1.161 9.952 ( -21.330 -5.836 0.000) 22.114 10.031 ( -11.722 -5.312 0.000) 12.869 10.268 ( -8.679 -1.323 0.000) 8.779 11.080 ( -12.141 0.074 0.000) 12.142 11.634 ( -6.001 2.028 0.000) 6.335 11.792 ( -5.501 -0.879 0.000) 5.571 11.958 ( -19.651 -4.884 0.000) 20.249 12.073 ( -2.333 -0.927 0.000) 2.510 12.391 ( -20.610 -12.487 0.000) 24.098 12.399 ( 3.757 -2.670 0.000) 4.609 12.957 ( -23.651 1.046 0.000) 23.674 14.010 ( -13.896 1.109 0.000) 13.940 14.878 ( -2.590 15.044 0.000) 15.265 14.970 ( -2.119 11.874 0.000) 12.062 16.443 ( 15.520 -0.497 0.000) 15.528 16.971 ( 1.663 4.307 0.000) 4.616 17.095 ( 0.480 10.816 0.000) 10.827 17.416 ( -0.597 -6.229 0.000) 6.258 18.776 ( 11.889 -3.953 0.000) 12.529 18.947 ( 10.437 -6.700 0.000) 12.403 ======================= Grid point 5 (6/147) ======================= 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -1.121 -0.284 0.000) 1.156 1.878 ( 2.978 1.009 0.000) 3.144 2.215 ( 4.363 1.427 0.000) 4.590 2.435 ( 13.894 -5.978 0.000) 15.126 2.685 ( 6.039 -6.441 0.000) 8.829 3.030 ( 6.487 -2.729 0.000) 7.037 3.226 ( 0.707 1.655 0.000) 1.800 3.304 ( 19.760 -2.843 0.000) 19.963 3.399 ( 6.875 -10.436 0.000) 12.497 3.584 ( 4.716 4.177 0.000) 6.299 4.119 ( 17.158 -0.368 0.000) 17.162 4.362 ( 13.157 -14.713 0.000) 19.737 4.449 ( -9.651 6.712 0.000) 11.756 4.583 ( 17.686 -7.054 0.000) 19.041 4.764 ( 4.330 -0.005 0.000) 4.330 5.220 ( -9.222 -9.345 0.000) 13.129 5.684 ( 0.422 14.485 0.000) 14.491 6.142 ( 5.836 17.097 0.000) 18.065 6.858 ( 9.724 5.951 0.000) 11.401 6.994 ( 11.132 2.467 0.000) 11.402 7.337 ( 16.414 -2.179 0.000) 16.558 7.443 ( 6.352 -0.099 0.000) 6.353 7.793 ( 6.546 -3.000 0.000) 7.201 8.100 ( 18.964 1.129 0.000) 18.997 8.414 ( 15.325 -0.972 0.000) 15.356 8.823 ( 1.212 0.878 0.000) 1.496 8.908 ( -1.528 0.091 0.000) 1.530 9.585 ( -19.775 -3.446 0.000) 20.073 9.689 ( 1.979 -0.005 0.000) 1.979 9.920 ( -3.507 -5.046 0.000) 6.145 10.168 ( -2.259 -0.835 0.000) 2.408 10.760 ( -19.205 -0.095 0.000) 19.206 11.564 ( -0.087 2.336 0.000) 2.338 11.683 ( -11.193 -4.221 0.000) 11.962 11.713 ( -3.415 -0.717 0.000) 3.490 12.040 ( -1.174 0.484 0.000) 1.270 12.090 ( -18.298 -10.833 0.000) 21.264 12.499 ( -22.906 1.265 0.000) 22.941 12.614 ( 14.843 -3.206 0.000) 15.186 13.707 ( -16.749 1.752 0.000) 16.840 14.763 ( -0.866 10.065 0.000) 10.102 14.871 ( -1.366 7.952 0.000) 8.069 16.691 ( 10.145 -0.635 0.000) 10.165 16.945 ( -1.013 3.283 0.000) 3.436 17.031 ( -0.944 7.323 0.000) 7.384 17.451 ( 0.112 -4.837 0.000) 4.838 18.982 ( 7.635 -2.217 0.000) 7.950 19.134 ( 5.454 -4.201 0.000) 6.884 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -0.334 -0.063 0.000) 0.340 1.905 ( 0.718 0.594 0.000) 0.931 2.269 ( 1.710 0.474 0.000) 1.775 2.607 ( 3.469 0.417 0.000) 3.494 2.864 ( 5.736 -6.697 0.000) 8.817 3.122 ( 2.050 -0.877 0.000) 2.230 3.172 ( -2.583 3.139 0.000) 4.065 3.563 ( 3.427 -4.101 0.000) 5.344 3.587 ( 4.708 1.342 0.000) 4.895 3.686 ( 9.203 -2.413 0.000) 9.514 4.217 ( -8.444 4.031 0.000) 9.357 4.380 ( 7.478 -0.228 0.000) 7.481 4.639 ( 5.410 -9.737 0.000) 11.139 4.872 ( 8.163 -2.210 0.000) 8.457 4.876 ( 7.631 1.187 0.000) 7.723 5.073 ( -10.229 -4.857 0.000) 11.323 5.574 ( -2.369 7.473 0.000) 7.840 6.105 ( 0.721 8.100 0.000) 8.132 6.961 ( 3.671 2.248 0.000) 4.305 7.132 ( 4.136 0.969 0.000) 4.248 7.508 ( 1.149 -0.198 0.000) 1.166 7.573 ( 6.394 -0.798 0.000) 6.444 7.910 ( 3.407 -0.538 0.000) 3.449 8.339 ( 6.464 0.273 0.000) 6.469 8.634 ( 6.076 -0.519 0.000) 6.098 8.829 ( 0.076 0.433 0.000) 0.440 8.966 ( 6.375 -0.380 0.000) 6.386 9.268 ( -13.644 -0.906 0.000) 13.674 9.728 ( 1.370 -0.282 0.000) 1.399 9.928 ( 0.484 -1.792 0.000) 1.856 10.206 ( 6.305 -0.263 0.000) 6.310 10.417 ( -15.406 -0.060 0.000) 15.407 11.539 ( -1.544 -0.412 0.000) 1.598 11.646 ( 3.825 0.893 0.000) 3.928 11.671 ( -1.204 -0.260 0.000) 1.232 11.880 ( -7.948 -6.468 0.000) 10.247 12.023 ( -0.317 0.324 0.000) 0.453 12.113 ( -14.232 1.583 0.000) 14.320 12.952 ( 17.034 -2.718 0.000) 17.249 13.362 ( -17.139 2.192 0.000) 17.278 14.709 ( -0.155 3.508 0.000) 3.511 14.816 ( -0.534 2.778 0.000) 2.829 16.844 ( 5.272 -1.296 0.000) 5.429 16.910 ( -0.703 1.144 0.000) 1.343 16.962 ( -2.326 3.595 0.000) 4.282 17.476 ( 0.117 -1.712 0.000) 1.716 19.093 ( 2.795 -0.779 0.000) 2.902 19.216 ( 1.447 -1.412 0.000) 2.022 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 22.773 0.000 0.000) 22.773 1.232 ( 22.185 0.000 0.000) 22.185 1.675 ( 23.025 0.000 0.000) 23.025 1.867 ( 32.121 0.000 0.000) 32.121 1.923 ( -4.689 -0.000 0.000) 4.689 1.988 ( 5.622 0.000 0.000) 5.622 2.430 ( 4.612 0.000 0.000) 4.612 2.812 ( 1.630 0.000 0.000) 1.630 2.920 ( 23.832 0.000 0.000) 23.832 3.146 ( -0.177 -0.000 0.000) 0.177 3.193 ( 7.275 0.000 0.000) 7.275 3.486 ( 3.644 0.000 0.000) 3.644 3.678 ( 2.021 0.000 0.000) 2.021 4.701 ( 12.003 0.000 0.000) 12.003 4.842 ( 4.864 0.000 0.000) 4.864 4.981 ( -2.247 -0.000 0.000) 2.247 5.281 ( 22.135 0.000 0.000) 22.135 5.456 ( 20.587 0.000 0.000) 20.587 6.158 ( 16.708 0.000 0.000) 16.708 6.172 ( 21.800 0.000 0.000) 21.800 6.219 ( 7.336 0.000 0.000) 7.336 6.290 ( 12.983 0.000 0.000) 12.983 6.709 ( 19.763 0.000 0.000) 19.763 7.709 ( -2.149 -0.000 0.000) 2.149 7.861 ( 3.387 0.000 0.000) 3.387 8.765 ( -1.160 -0.000 0.000) 1.160 9.554 ( -11.488 -0.000 0.000) 11.488 9.836 ( -5.585 -0.000 0.000) 5.585 10.509 ( -13.020 -0.000 0.000) 13.020 10.521 ( -12.437 -0.000 0.000) 12.437 10.738 ( -15.031 -0.000 0.000) 15.031 11.064 ( 6.372 0.000 0.000) 6.372 12.057 ( -8.707 -0.000 0.000) 8.707 12.154 ( -3.066 -0.000 0.000) 3.066 12.170 ( -19.979 -0.000 0.000) 19.979 12.681 ( -17.487 -0.000 0.000) 17.487 12.853 ( -24.094 -0.000 0.000) 24.094 12.917 ( -15.706 -0.000 0.000) 15.706 13.797 ( -18.618 -0.000 0.000) 18.618 14.400 ( -5.697 -0.000 0.000) 5.697 15.328 ( -3.469 -0.000 0.000) 3.469 15.426 ( -10.645 -0.000 0.000) 10.645 15.640 ( 24.914 0.000 0.000) 24.914 16.753 ( 12.958 0.000 0.000) 12.958 17.294 ( 0.456 0.000 0.000) 0.456 17.461 ( -5.698 -0.000 0.000) 5.698 17.889 ( 26.215 0.000 0.000) 26.215 18.284 ( 15.824 0.000 0.000) 15.824 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 23.515 -10.953 0.000) 25.941 1.568 ( 13.868 -0.876 0.000) 13.895 1.840 ( -2.850 0.758 0.000) 2.948 2.075 ( 6.545 2.779 0.000) 7.111 2.192 ( 25.168 -4.457 0.000) 25.559 2.305 ( 15.174 -1.126 0.000) 15.215 2.592 ( 10.649 -5.038 0.000) 11.781 2.868 ( 5.460 2.276 0.000) 5.916 3.244 ( 9.376 -2.036 0.000) 9.594 3.280 ( 6.754 5.320 0.000) 8.598 3.473 ( 25.155 -7.998 0.000) 26.396 3.633 ( 11.485 -1.835 0.000) 11.630 3.734 ( 4.828 2.370 0.000) 5.378 4.768 ( 1.348 7.794 0.000) 7.910 4.877 ( -2.314 5.039 0.000) 5.545 5.032 ( 2.231 -13.017 0.000) 13.207 5.676 ( 19.653 7.602 0.000) 21.072 5.862 ( 21.515 0.685 0.000) 21.526 6.451 ( 16.787 0.149 0.000) 16.787 6.480 ( 20.803 10.084 0.000) 23.118 6.580 ( 16.378 -0.809 0.000) 16.398 6.714 ( 27.184 -14.543 0.000) 30.830 7.064 ( 17.346 3.606 0.000) 17.717 7.696 ( 1.474 -2.212 0.000) 2.658 7.957 ( 8.702 4.863 0.000) 9.969 8.757 ( 0.556 -0.150 0.000) 0.575 9.298 ( -14.158 0.955 0.000) 14.190 9.732 ( -4.706 0.022 0.000) 4.706 10.232 ( -15.690 -1.590 0.000) 15.771 10.234 ( -18.085 -2.710 0.000) 18.286 10.460 ( -13.395 -0.533 0.000) 13.405 11.168 ( 2.389 -0.156 0.000) 2.394 11.845 ( -13.221 0.890 0.000) 13.251 11.904 ( -7.221 -0.151 0.000) 7.223 12.097 ( -3.217 -0.968 0.000) 3.360 12.299 ( -21.736 -0.959 0.000) 21.757 12.472 ( -14.166 -0.494 0.000) 14.175 12.591 ( -19.072 -4.034 0.000) 19.494 13.408 ( -21.790 0.352 0.000) 21.793 14.250 ( -9.905 0.196 0.000) 9.907 15.220 ( -7.623 6.631 0.000) 10.103 15.235 ( -5.239 4.946 0.000) 7.204 16.085 ( 21.127 -0.241 0.000) 21.129 16.960 ( 9.594 2.988 0.000) 10.048 17.275 ( -0.749 4.680 0.000) 4.739 17.360 ( -5.004 -2.248 0.000) 5.486 18.378 ( 21.405 -4.211 0.000) 21.815 18.586 ( 14.345 -3.101 0.000) 14.676 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 6.790 -5.558 0.000) 8.774 1.783 ( 8.186 -0.310 0.000) 8.192 1.914 ( 14.925 -5.731 0.000) 15.988 2.164 ( 5.236 2.166 0.000) 5.667 2.521 ( 7.820 -0.552 0.000) 7.840 2.677 ( 20.235 -5.530 0.000) 20.977 2.887 ( 14.624 -8.751 0.000) 17.042 3.008 ( 11.749 3.327 0.000) 12.211 3.316 ( 0.600 1.475 0.000) 1.592 3.480 ( 12.068 -1.144 0.000) 12.122 3.848 ( 9.652 2.326 0.000) 9.928 3.906 ( 15.044 -3.657 0.000) 15.482 4.010 ( 23.266 -8.064 0.000) 24.624 4.711 ( -6.580 -1.059 0.000) 6.664 4.779 ( 0.614 11.781 0.000) 11.797 5.111 ( -3.177 -13.059 0.000) 13.440 5.889 ( 9.497 12.648 0.000) 15.816 6.213 ( 15.891 5.274 0.000) 16.743 6.772 ( 15.991 11.395 0.000) 19.636 6.792 ( 17.811 3.399 0.000) 18.132 6.922 ( 18.314 -3.360 0.000) 18.619 7.288 ( 16.225 -14.684 0.000) 21.884 7.320 ( 14.193 -0.027 0.000) 14.193 7.834 ( 13.640 0.187 0.000) 13.641 8.148 ( 14.989 6.075 0.000) 16.173 8.785 ( 1.561 -1.270 0.000) 2.012 9.044 ( -10.613 1.074 0.000) 10.667 9.680 ( -0.198 0.591 0.000) 0.623 9.888 ( -19.837 -3.622 0.000) 20.165 9.973 ( -12.099 -3.301 0.000) 12.542 10.254 ( -8.374 -0.744 0.000) 8.407 11.080 ( -12.182 0.022 0.000) 12.182 11.655 ( -6.144 1.133 0.000) 6.248 11.785 ( -5.321 -0.248 0.000) 5.327 11.908 ( -19.472 -2.598 0.000) 19.644 12.060 ( -1.184 -0.822 0.000) 1.442 12.258 ( -19.338 -7.233 0.000) 20.647 12.373 ( 3.374 -1.343 0.000) 3.632 12.968 ( -23.690 0.613 0.000) 23.698 14.022 ( -13.687 0.586 0.000) 13.699 15.028 ( -6.964 7.463 0.000) 10.207 15.103 ( -4.418 7.563 0.000) 8.759 16.438 ( 15.611 -0.277 0.000) 15.614 17.056 ( 3.610 8.178 0.000) 8.939 17.209 ( -2.202 6.108 0.000) 6.493 17.323 ( -1.648 -7.885 0.000) 8.056 18.735 ( 14.059 -1.899 0.000) 14.187 18.863 ( 11.373 -5.421 0.000) 12.599 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -0.688 -0.598 0.000) 0.912 1.888 ( 3.169 0.495 0.000) 3.207 2.244 ( 4.515 2.603 0.000) 5.212 2.344 ( 20.119 -6.636 0.000) 21.185 2.636 ( 4.052 -1.743 0.000) 4.411 2.981 ( 8.471 -4.241 0.000) 9.474 3.220 ( 12.643 -5.010 0.000) 13.599 3.294 ( 18.615 0.864 0.000) 18.635 3.306 ( 0.351 -1.156 0.000) 1.208 3.642 ( 5.774 4.640 0.000) 7.407 4.091 ( 13.929 -3.656 0.000) 14.401 4.207 ( 12.046 -8.068 0.000) 14.499 4.467 ( 18.254 -9.452 0.000) 20.556 4.521 ( -10.825 3.893 0.000) 11.504 4.784 ( 4.310 3.334 0.000) 5.449 5.092 ( -6.510 -9.752 0.000) 11.725 5.880 ( -0.411 14.260 0.000) 14.266 6.365 ( 6.307 14.179 0.000) 15.518 6.921 ( 6.187 5.783 0.000) 8.469 7.046 ( 11.727 5.142 0.000) 12.805 7.292 ( 16.121 -4.513 0.000) 16.741 7.470 ( 6.956 3.617 0.000) 7.840 7.622 ( 5.021 -18.840 0.000) 19.497 8.181 ( 20.541 6.564 0.000) 21.564 8.415 ( 14.494 1.560 0.000) 14.578 8.816 ( 0.352 -1.694 0.000) 1.730 8.913 ( -1.894 0.624 0.000) 1.994 9.543 ( -18.057 -2.744 0.000) 18.264 9.702 ( 2.251 1.974 0.000) 2.993 9.856 ( -2.069 -4.692 0.000) 5.128 10.158 ( -1.863 -0.608 0.000) 1.960 10.759 ( -19.256 -0.066 0.000) 19.257 11.590 ( -1.014 1.442 0.000) 1.763 11.633 ( -9.162 -3.021 0.000) 9.647 11.706 ( -3.187 -0.332 0.000) 3.204 11.965 ( -15.972 -7.696 0.000) 17.729 12.044 ( -0.951 0.071 0.000) 0.953 12.513 ( -22.829 0.827 0.000) 22.844 12.578 ( 15.127 -2.126 0.000) 15.275 13.726 ( -16.542 1.135 0.000) 16.581 14.861 ( -6.070 5.060 0.000) 7.902 14.973 ( -4.131 6.758 0.000) 7.920 16.683 ( 9.931 -0.444 0.000) 9.941 17.013 ( -1.425 6.738 0.000) 6.887 17.116 ( -3.555 5.235 0.000) 6.328 17.384 ( 2.361 -5.292 0.000) 5.795 18.957 ( 8.449 -1.338 0.000) 8.554 19.073 ( 6.869 -4.779 0.000) 8.368 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -0.216 -0.095 0.000) 0.236 1.913 ( 0.185 0.580 0.000) 0.608 2.291 ( 1.964 2.578 0.000) 3.241 2.617 ( 3.807 1.082 0.000) 3.958 2.782 ( 10.906 -5.217 0.000) 12.090 3.105 ( 3.164 -1.663 0.000) 3.574 3.229 ( -2.421 4.805 0.000) 5.381 3.511 ( 9.224 -3.894 0.000) 10.012 3.614 ( 10.455 2.096 0.000) 10.663 3.675 ( 3.983 1.367 0.000) 4.211 4.258 ( -9.788 1.369 0.000) 9.883 4.347 ( 3.926 -3.783 0.000) 5.452 4.459 ( 6.481 -13.490 0.000) 14.966 4.816 ( 11.599 -7.280 0.000) 13.695 4.891 ( 7.169 0.913 0.000) 7.227 5.010 ( -5.274 -4.295 0.000) 6.802 5.716 ( -6.451 12.889 0.000) 14.413 6.283 ( -2.771 16.817 0.000) 17.044 6.955 ( -1.398 -2.245 0.000) 2.645 7.168 ( 4.156 4.318 0.000) 5.993 7.532 ( 2.470 3.302 0.000) 4.124 7.544 ( 6.526 -3.434 0.000) 7.374 7.779 ( -0.961 -16.298 0.000) 16.327 8.419 ( 9.272 9.066 0.000) 12.968 8.627 ( 6.550 -0.463 0.000) 6.567 8.820 ( -0.975 -1.740 0.000) 1.995 8.968 ( 7.319 0.703 0.000) 7.352 9.252 ( -12.829 -1.393 0.000) 12.905 9.726 ( 1.113 -0.097 0.000) 1.117 9.912 ( 3.589 -0.728 0.000) 3.662 10.203 ( 6.625 -0.230 0.000) 6.629 10.417 ( -15.302 -0.049 0.000) 15.302 11.527 ( -1.151 -1.294 0.000) 1.731 11.657 ( 2.646 0.538 0.000) 2.700 11.668 ( -0.907 -0.202 0.000) 0.929 11.801 ( -1.998 -5.038 0.000) 5.420 12.026 ( -0.709 0.119 0.000) 0.719 12.133 ( -14.242 1.342 0.000) 14.305 12.920 ( 18.085 -1.973 0.000) 18.192 13.387 ( -17.520 1.531 0.000) 17.586 14.731 ( -5.720 0.279 0.000) 5.727 14.863 ( -3.584 3.692 0.000) 5.145 16.828 ( 4.766 -1.149 0.000) 4.902 16.947 ( -1.255 4.172 0.000) 4.357 17.008 ( -4.770 3.149 0.000) 5.716 17.458 ( 2.857 -1.092 0.000) 3.058 19.080 ( 3.445 -1.129 0.000) 3.626 19.189 ( 2.911 -2.588 0.000) 3.896 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.409 0.066 0.000) 0.414 1.898 ( -1.438 -0.325 0.000) 1.474 2.280 ( -1.511 2.017 0.000) 2.520 2.605 ( -3.431 -0.030 0.000) 3.432 2.946 ( 2.431 5.403 0.000) 5.925 3.130 ( -1.022 0.476 0.000) 1.127 3.161 ( 0.165 1.703 0.000) 1.711 3.583 ( -4.825 0.603 0.000) 4.862 3.621 ( 2.155 4.376 0.000) 4.878 3.731 ( -7.867 4.132 0.000) 8.886 4.159 ( 3.910 -4.700 0.000) 6.113 4.349 ( -8.406 -4.714 0.000) 9.637 4.606 ( -1.135 -12.203 0.000) 12.255 4.863 ( -5.574 -0.690 0.000) 5.617 4.937 ( -2.396 4.810 0.000) 5.373 5.130 ( 12.737 3.664 0.000) 13.254 5.533 ( -4.917 1.774 0.000) 5.227 6.101 ( -6.462 7.294 0.000) 9.745 6.893 ( -8.365 -7.428 0.000) 11.187 7.144 ( -4.132 2.756 0.000) 4.967 7.535 ( 0.088 3.279 0.000) 3.280 7.564 ( -6.284 -1.997 0.000) 6.593 7.791 ( -8.735 -15.552 0.000) 17.837 8.416 ( -3.013 9.261 0.000) 9.738 8.640 ( -5.418 0.359 0.000) 5.430 8.810 ( -1.454 -2.388 0.000) 2.796 8.979 ( -6.098 1.505 0.000) 6.281 9.275 ( 15.247 0.148 0.000) 15.247 9.731 ( -0.895 0.102 0.000) 0.901 9.958 ( 2.145 2.728 0.000) 3.470 10.210 ( -5.979 0.235 0.000) 5.984 10.418 ( 15.529 0.058 0.000) 15.529 11.535 ( 0.094 -0.937 0.000) 0.942 11.638 ( -1.023 -0.321 0.000) 1.072 11.675 ( 1.632 0.271 0.000) 1.654 11.962 ( 13.333 5.535 0.000) 14.436 12.018 ( -0.215 -0.498 0.000) 0.543 12.094 ( 13.198 -1.012 0.000) 13.236 12.991 ( -16.173 3.105 0.000) 16.469 13.330 ( 17.006 -2.618 0.000) 17.206 14.641 ( -5.651 -6.133 0.000) 8.340 14.792 ( -2.830 -1.147 0.000) 3.053 16.858 ( -4.640 0.578 0.000) 4.676 16.918 ( 0.405 2.160 0.000) 2.198 16.919 ( -1.447 -2.628 0.000) 3.000 17.503 ( 2.355 2.419 0.000) 3.376 19.098 ( -1.979 -0.083 0.000) 1.981 19.225 ( -0.074 -0.071 0.000) 0.103 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 1.197 0.111 0.000) 1.202 1.863 ( -3.054 -1.265 0.000) 3.306 2.211 ( -4.426 0.895 0.000) 4.516 2.487 ( -8.788 2.044 0.000) 9.023 2.811 ( -6.889 12.166 0.000) 13.981 3.054 ( -6.216 1.430 0.000) 6.378 3.211 ( 2.683 -0.363 0.000) 2.707 3.370 ( -18.298 6.785 0.000) 19.515 3.528 ( -6.283 -4.296 0.000) 7.611 3.545 ( -4.123 11.144 0.000) 11.883 4.096 ( -18.222 -4.043 0.000) 18.665 4.356 ( 7.780 -6.845 0.000) 10.363 4.527 ( -10.979 3.510 0.000) 11.527 4.669 ( -16.785 10.715 0.000) 19.914 4.774 ( -3.325 1.248 0.000) 3.551 5.332 ( 11.449 7.474 0.000) 13.673 5.517 ( -2.250 -10.419 0.000) 10.660 5.966 ( -8.261 -7.749 0.000) 11.326 6.745 ( -13.110 -10.877 0.000) 17.035 6.984 ( -10.847 1.041 0.000) 10.897 7.348 ( -16.493 -0.527 0.000) 16.502 7.469 ( -5.849 3.094 0.000) 6.617 7.677 ( -12.770 -15.951 0.000) 20.434 8.190 ( -13.821 10.767 0.000) 17.520 8.431 ( -14.758 1.425 0.000) 14.826 8.792 ( -2.542 -3.660 0.000) 4.456 8.912 ( 1.042 0.733 0.000) 1.274 9.631 ( 21.815 3.274 0.000) 22.059 9.698 ( -1.416 1.146 0.000) 1.822 9.989 ( 4.950 5.284 0.000) 7.240 10.179 ( 2.736 0.860 0.000) 2.868 10.762 ( 19.128 0.103 0.000) 19.128 11.531 ( -0.027 -2.570 0.000) 2.570 11.725 ( 4.048 1.183 0.000) 4.217 11.740 ( 12.865 4.251 0.000) 13.549 12.030 ( 1.097 -1.103 0.000) 1.556 12.241 ( 21.409 11.687 0.000) 24.391 12.481 ( 23.089 -1.420 0.000) 23.133 12.660 ( -14.453 3.702 0.000) 14.920 13.681 ( 17.051 -2.097 0.000) 17.179 14.602 ( -4.966 -13.516 0.000) 14.400 14.771 ( -2.258 -7.101 0.000) 7.452 16.700 ( -10.413 0.687 0.000) 10.436 16.928 ( 1.274 0.583 0.000) 1.401 16.930 ( -2.230 -7.699 0.000) 8.016 17.515 ( 1.390 4.911 0.000) 5.104 19.009 ( -6.601 1.692 0.000) 6.814 19.180 ( -4.054 2.565 0.000) 4.797 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 2.267 0.363 0.000) 2.296 1.785 ( -6.133 -0.504 0.000) 6.154 2.112 ( -5.626 -0.760 0.000) 5.677 2.223 ( -14.009 11.249 0.000) 17.967 2.595 ( -8.319 7.878 0.000) 11.457 2.882 ( -13.918 5.989 0.000) 15.151 2.924 ( -19.108 1.104 0.000) 19.140 3.201 ( -3.463 8.362 0.000) 9.050 3.362 ( -5.473 9.436 0.000) 10.908 3.470 ( -3.954 -3.225 0.000) 5.102 3.753 ( -18.295 -4.194 0.000) 18.769 4.171 ( -16.589 15.754 0.000) 22.877 4.241 ( -22.377 6.314 0.000) 23.250 4.491 ( -1.098 -9.440 0.000) 9.504 4.748 ( 2.768 1.121 0.000) 2.987 5.443 ( 5.894 11.270 0.000) 12.718 5.508 ( -8.210 -13.447 0.000) 15.755 5.842 ( -13.870 -15.158 0.000) 20.546 6.547 ( -15.292 -11.876 0.000) 19.362 6.736 ( -14.277 -0.197 0.000) 14.278 6.983 ( -20.337 0.792 0.000) 20.352 7.243 ( -15.947 0.733 0.000) 15.964 7.573 ( -10.486 -17.104 0.000) 20.062 7.749 ( -21.778 13.276 0.000) 25.505 8.112 ( -15.783 3.364 0.000) 16.137 8.762 ( -3.145 -3.953 0.000) 5.051 9.015 ( 9.402 -0.608 0.000) 9.422 9.688 ( 1.609 1.484 0.000) 2.189 10.034 ( 23.099 6.320 0.000) 23.948 10.108 ( 11.717 6.152 0.000) 13.234 10.287 ( 9.155 1.601 0.000) 9.294 11.078 ( 12.043 -0.144 0.000) 12.044 11.603 ( 5.956 -2.475 0.000) 6.449 11.810 ( 5.881 1.930 0.000) 6.190 12.032 ( 20.340 6.201 0.000) 21.264 12.081 ( 3.942 0.127 0.000) 3.944 12.442 ( -4.149 3.739 0.000) 5.585 12.577 ( 21.905 15.181 0.000) 26.651 12.943 ( 23.923 -0.976 0.000) 23.943 13.993 ( 14.219 -1.483 0.000) 14.296 14.643 ( -1.885 -19.807 0.000) 19.897 14.801 ( -1.501 -13.287 0.000) 13.372 16.451 ( -15.385 0.613 0.000) 15.397 16.934 ( -4.326 -13.062 0.000) 13.760 16.943 ( -0.108 -0.102 0.000) 0.148 17.492 ( -0.251 5.410 0.000) 5.416 18.831 ( -9.912 4.013 0.000) 10.693 19.029 ( -8.958 5.553 0.000) 10.540 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -10.374 2.504 0.000) 10.672 1.692 ( -2.190 10.583 0.000) 10.807 1.866 ( -9.969 9.902 0.000) 14.050 2.002 ( -8.117 -1.994 0.000) 8.359 2.379 ( -10.546 5.102 0.000) 11.715 2.379 ( -24.095 8.211 0.000) 25.456 2.760 ( -6.474 -3.943 0.000) 7.580 2.946 ( -10.979 19.482 0.000) 22.362 3.208 ( -11.094 1.769 0.000) 11.234 3.344 ( -8.645 4.010 0.000) 9.530 3.565 ( -5.685 -9.643 0.000) 11.194 3.731 ( -23.198 8.388 0.000) 24.668 3.811 ( -10.037 12.551 0.000) 16.071 4.449 ( -8.939 -11.722 0.000) 14.741 4.848 ( 6.086 -0.736 0.000) 6.131 5.359 ( -16.186 -12.629 0.000) 20.530 5.380 ( -4.894 11.887 0.000) 12.855 5.616 ( -19.909 -14.177 0.000) 24.441 6.327 ( -14.618 -7.615 0.000) 16.483 6.460 ( -14.151 1.190 0.000) 14.201 6.623 ( -14.771 1.892 0.000) 14.891 6.900 ( -19.867 -3.659 0.000) 20.201 7.098 ( -29.971 10.566 0.000) 31.779 7.628 ( -3.723 -16.714 0.000) 17.123 7.825 ( -9.126 5.886 0.000) 10.860 8.732 ( -2.278 -3.113 0.000) 3.857 9.249 ( 13.155 -1.915 0.000) 13.294 9.741 ( 4.548 0.984 0.000) 4.654 10.340 ( 15.912 5.819 0.000) 16.943 10.397 ( 18.885 7.624 0.000) 20.366 10.502 ( 14.734 2.684 0.000) 14.976 11.177 ( -0.988 0.497 0.000) 1.105 11.791 ( 12.081 -2.642 0.000) 12.367 11.919 ( 6.355 1.037 0.000) 6.439 12.170 ( 6.507 4.311 0.000) 7.806 12.384 ( 19.032 5.359 0.000) 19.772 12.509 ( 13.361 2.232 0.000) 13.546 12.837 ( 14.056 12.012 0.000) 18.490 13.392 ( 22.561 -0.013 0.000) 22.561 14.236 ( 10.278 -0.851 0.000) 10.313 14.808 ( 5.420 -20.429 0.000) 21.135 14.899 ( 1.252 -17.948 0.000) 17.991 16.102 ( -20.599 0.960 0.000) 20.621 16.904 ( -4.294 0.920 0.000) 4.391 16.944 ( -5.384 -18.434 0.000) 19.204 17.428 ( -4.271 2.076 0.000) 4.749 18.593 ( -10.052 8.527 0.000) 13.181 18.769 ( -13.077 8.490 0.000) 15.591 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -14.491 27.202 0.000) 30.821 1.345 ( -16.745 7.444 0.000) 18.325 1.706 ( -21.229 1.829 0.000) 21.308 1.844 ( 0.156 -2.037 0.000) 2.042 2.028 ( -8.167 3.040 0.000) 8.714 2.079 ( -15.876 13.076 0.000) 20.568 2.566 ( -18.599 6.623 0.000) 19.743 2.725 ( -0.528 -5.278 0.000) 5.305 2.876 ( -15.660 9.001 0.000) 18.062 3.203 ( -2.227 3.171 0.000) 3.875 3.321 ( -14.077 5.189 0.000) 15.003 3.567 ( -1.350 -7.573 0.000) 7.692 3.667 ( 1.829 11.078 0.000) 11.228 4.340 ( -11.667 -15.932 0.000) 19.747 4.951 ( 3.480 -0.201 0.000) 3.486 5.090 ( -18.896 -10.608 0.000) 21.670 5.120 ( -13.412 7.762 0.000) 15.496 5.305 ( -19.606 -10.012 0.000) 22.015 6.081 ( -13.371 0.468 0.000) 13.379 6.202 ( -10.716 2.216 0.000) 10.942 6.416 ( -5.193 5.733 0.000) 7.735 6.458 ( -25.453 9.325 0.000) 27.107 6.599 ( -18.325 -7.090 0.000) 19.648 7.569 ( -7.914 -8.820 0.000) 11.850 7.804 ( 3.592 -4.349 0.000) 5.641 8.724 ( -0.513 -2.909 0.000) 2.954 9.501 ( 10.825 -2.871 0.000) 11.199 9.834 ( 5.113 0.078 0.000) 5.113 10.598 ( 14.150 5.700 0.000) 15.255 10.636 ( 10.736 5.728 0.000) 12.169 10.788 ( 16.385 4.542 0.000) 17.003 11.101 ( -4.091 2.513 0.000) 4.801 12.045 ( 7.350 -0.469 0.000) 7.365 12.105 ( 18.456 -3.746 0.000) 18.832 12.255 ( 5.986 7.318 0.000) 9.454 12.617 ( 2.761 -5.551 0.000) 6.200 12.868 ( 23.562 1.084 0.000) 23.587 12.953 ( 4.751 4.655 0.000) 6.651 13.784 ( 17.497 -0.757 0.000) 17.513 14.393 ( 5.775 -0.459 0.000) 5.793 15.090 ( 10.212 -13.043 0.000) 16.565 15.133 ( 13.942 -16.324 0.000) 21.467 15.661 ( -24.353 1.451 0.000) 24.396 16.747 ( -11.300 2.636 0.000) 11.603 16.980 ( -4.680 -21.949 0.000) 22.442 17.269 ( -14.557 -5.262 0.000) 15.479 18.351 ( -7.816 16.916 0.000) 18.634 18.470 ( -7.658 10.833 0.000) 13.266 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -27.478 13.209 0.000) 30.488 0.834 ( -23.183 19.181 0.000) 30.089 1.386 ( -26.037 37.819 0.000) 45.915 1.402 ( -8.490 2.967 0.000) 8.993 1.897 ( -4.803 1.284 0.000) 4.972 1.960 ( 0.984 -2.849 0.000) 3.014 2.237 ( -18.233 -11.439 0.000) 21.524 2.611 ( -4.287 13.848 0.000) 14.496 2.773 ( 1.422 -2.909 0.000) 3.238 3.104 ( -6.841 1.335 0.000) 6.970 3.228 ( 5.306 0.574 0.000) 5.337 3.592 ( -0.880 -5.741 0.000) 5.808 3.703 ( 11.019 13.794 0.000) 17.655 4.228 ( -10.821 -16.287 0.000) 19.554 4.802 ( -10.780 3.074 0.000) 11.210 4.834 ( -12.894 -8.062 0.000) 15.207 5.030 ( 1.757 0.085 0.000) 1.759 5.047 ( -12.263 -6.633 0.000) 13.942 5.831 ( -11.740 2.914 0.000) 12.096 6.015 ( -13.856 6.221 0.000) 15.189 6.040 ( -5.310 0.236 0.000) 5.315 6.311 ( -1.065 9.906 0.000) 9.963 6.343 ( -12.328 -4.516 0.000) 13.130 7.544 ( -2.142 -12.038 0.000) 12.227 7.888 ( 2.305 -1.464 0.000) 2.731 8.748 ( 0.575 -3.659 0.000) 3.704 9.681 ( 5.655 -3.341 0.000) 6.568 9.919 ( 3.317 -0.532 0.000) 3.360 10.732 ( 2.902 3.065 0.000) 4.221 10.783 ( 9.492 6.399 0.000) 11.447 10.989 ( 3.894 4.584 0.000) 6.014 11.059 ( 5.428 4.868 0.000) 7.291 12.196 ( 7.205 -0.111 0.000) 7.205 12.291 ( 2.705 6.790 0.000) 7.309 12.422 ( -29.656 -29.518 0.000) 41.842 12.531 ( 11.190 -6.933 0.000) 13.163 12.997 ( 2.149 2.273 0.000) 3.128 13.325 ( 22.551 0.209 0.000) 22.552 14.049 ( 8.101 -5.403 0.000) 9.738 14.468 ( 2.021 -0.405 0.000) 2.061 15.189 ( -22.131 1.887 0.000) 22.211 15.427 ( 20.106 -2.229 0.000) 20.229 15.580 ( 25.547 -3.433 0.000) 25.777 16.426 ( -20.824 1.167 0.000) 20.857 16.920 ( -27.805 -10.758 0.000) 29.813 17.057 ( -2.371 -21.520 0.000) 21.650 18.051 ( -10.019 14.488 0.000) 17.615 18.461 ( 17.818 20.701 0.000) 27.313 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.213 ( -0.000 15.975 0.000) 15.975 0.320 ( -0.000 23.942 0.000) 23.942 0.786 ( -0.000 58.950 0.000) 58.950 1.305 ( -0.000 2.848 0.000) 2.848 1.841 ( -0.000 0.806 0.000) 0.806 1.878 ( 0.000 -0.936 0.000) 0.936 2.060 ( 0.000 -1.886 0.000) 1.886 2.497 ( -0.000 10.772 0.000) 10.772 2.797 ( 0.000 -0.838 0.000) 0.838 3.035 ( 0.000 -0.127 0.000) 0.127 3.305 ( -0.000 0.035 0.000) 0.035 3.617 ( 0.000 -5.395 0.000) 5.395 3.903 ( -0.000 2.651 0.000) 2.651 4.192 ( 0.000 -10.419 0.000) 10.419 4.692 ( 0.000 -0.562 0.000) 0.562 4.748 ( 0.000 -5.606 0.000) 5.606 4.959 ( 0.000 -4.551 0.000) 4.551 5.046 ( -0.000 0.382 0.000) 0.382 5.609 ( -0.000 5.847 0.000) 5.847 5.860 ( -0.000 3.368 0.000) 3.368 5.997 ( 0.000 -2.311 0.000) 2.311 6.232 ( -0.000 3.963 0.000) 3.963 6.233 ( -0.000 5.361 0.000) 5.361 7.619 ( 0.000 -13.899 0.000) 13.899 7.902 ( -0.000 3.651 0.000) 3.651 8.781 ( 0.000 -3.447 0.000) 3.447 9.757 ( 0.000 -2.943 0.000) 2.943 9.956 ( 0.000 -0.549 0.000) 0.549 10.738 ( -0.000 1.951 0.000) 1.951 10.923 ( -0.000 2.406 0.000) 2.406 10.975 ( -0.000 3.932 0.000) 3.932 11.110 ( -0.000 3.892 0.000) 3.892 11.634 ( -0.000 0.218 0.000) 0.218 12.253 ( -0.000 4.549 0.000) 4.549 12.296 ( -0.000 0.318 0.000) 0.318 12.754 ( 0.000 -0.340 0.000) 0.340 13.009 ( 0.000 -2.236 0.000) 2.236 13.585 ( 0.000 -0.268 0.000) 0.268 14.169 ( 0.000 -6.851 0.000) 6.851 14.488 ( 0.000 -0.346 0.000) 0.346 14.922 ( -0.000 1.770 0.000) 1.770 15.804 ( -0.000 1.146 0.000) 1.146 16.020 ( -0.000 0.059 0.000) 0.059 16.183 ( 0.000 -0.017 0.000) 0.017 16.347 ( 0.000 -1.559 0.000) 1.559 17.163 ( 0.000 -16.195 0.000) 16.195 17.854 ( -0.000 11.330 0.000) 11.330 18.794 ( 0.000 -1.032 0.000) 1.032 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 12.123 0.000 0.000) 12.123 1.781 ( 8.516 0.000 0.000) 8.516 1.881 ( 11.844 0.000 0.000) 11.844 2.180 ( 5.174 0.000 0.000) 5.174 2.517 ( 7.979 0.000 0.000) 7.979 2.639 ( 20.466 0.000 0.000) 20.466 2.827 ( 15.321 0.000 0.000) 15.321 3.032 ( 11.372 0.000 0.000) 11.372 3.328 ( 0.213 0.000 0.000) 0.213 3.470 ( 13.799 0.000 0.000) 13.799 3.864 ( 7.928 0.000 0.000) 7.928 3.889 ( 14.594 0.000 0.000) 14.594 3.947 ( 23.820 0.000 0.000) 23.820 4.703 ( -6.382 -0.000 0.000) 6.382 4.939 ( -3.452 -0.000 0.000) 3.452 4.943 ( 0.381 0.000 0.000) 0.381 5.989 ( 9.115 0.000 0.000) 9.115 6.227 ( 16.597 0.000 0.000) 16.597 6.825 ( 20.878 0.000 0.000) 20.878 6.889 ( 15.526 0.000 0.000) 15.526 6.926 ( 19.346 0.000 0.000) 19.346 7.087 ( 14.548 0.000 0.000) 14.548 7.353 ( 11.418 0.000 0.000) 11.418 7.827 ( 15.766 0.000 0.000) 15.766 8.197 ( 13.811 0.000 0.000) 13.811 8.774 ( 1.117 0.000 0.000) 1.117 9.052 ( -10.825 -0.000 0.000) 10.825 9.685 ( 0.425 0.000 0.000) 0.425 9.863 ( -19.241 -0.000 0.000) 19.241 9.950 ( -12.468 -0.000 0.000) 12.468 10.249 ( -8.270 -0.000 0.000) 8.270 11.080 ( -12.190 -0.000 0.000) 12.190 11.662 ( -6.233 -0.000 0.000) 6.233 11.784 ( -5.280 -0.000 0.000) 5.280 11.890 ( -19.504 -0.000 0.000) 19.504 12.054 ( -0.771 -0.000 0.000) 0.771 12.209 ( -18.755 -0.000 0.000) 18.755 12.364 ( 3.226 0.000 0.000) 3.226 12.972 ( -23.729 -0.000 0.000) 23.729 14.026 ( -13.615 -0.000 0.000) 13.615 15.077 ( -8.594 -0.000 0.000) 8.594 15.155 ( -5.428 -0.000 0.000) 5.428 16.436 ( 15.644 0.000 0.000) 15.644 17.147 ( 8.522 0.000 0.000) 8.522 17.236 ( -6.195 -0.000 0.000) 6.195 17.251 ( -3.163 -0.000 0.000) 3.163 18.725 ( 15.335 0.000 0.000) 15.335 18.822 ( 11.403 0.000 0.000) 11.403 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.007 -0.403 0.000) 0.403 1.892 ( 3.359 0.129 0.000) 3.361 2.273 ( 4.649 1.339 0.000) 4.838 2.282 ( 23.588 -2.479 0.000) 23.717 2.624 ( 3.386 -0.337 0.000) 3.403 2.935 ( 10.131 -2.054 0.000) 10.337 3.147 ( 16.116 -3.543 0.000) 16.501 3.309 ( 17.124 0.788 0.000) 17.142 3.320 ( -0.617 1.156 0.000) 1.310 3.697 ( 8.713 2.912 0.000) 9.187 4.040 ( 9.726 -2.856 0.000) 10.136 4.148 ( 11.432 -1.504 0.000) 11.531 4.364 ( 18.162 -4.947 0.000) 18.824 4.552 ( -9.715 0.980 0.000) 9.764 4.851 ( 0.905 6.236 0.000) 6.301 4.970 ( -3.025 -8.221 0.000) 8.760 6.031 ( -1.393 6.943 0.000) 7.081 6.469 ( 8.438 2.146 0.000) 8.706 7.071 ( 2.972 17.025 0.000) 17.283 7.121 ( 11.765 5.514 0.000) 12.993 7.224 ( 16.302 -5.207 0.000) 17.113 7.348 ( 5.899 -21.373 0.000) 22.172 7.514 ( 6.558 2.160 0.000) 6.905 8.229 ( 22.041 1.169 0.000) 22.072 8.451 ( 12.873 2.512 0.000) 13.116 8.790 ( -0.143 -1.546 0.000) 1.553 8.921 ( -2.104 0.361 0.000) 2.135 9.517 ( -17.060 -1.072 0.000) 17.094 9.739 ( 2.988 3.431 0.000) 4.549 9.796 ( -1.861 -4.206 0.000) 4.599 10.152 ( -1.641 -0.223 0.000) 1.656 10.759 ( -19.281 -0.023 0.000) 19.281 11.596 ( -9.201 -0.430 0.000) 9.211 11.611 ( -0.435 -0.208 0.000) 0.482 11.703 ( -3.154 -0.089 0.000) 3.155 11.894 ( -14.686 -2.783 0.000) 14.947 12.044 ( -0.726 -0.026 0.000) 0.726 12.520 ( -22.810 0.282 0.000) 22.811 12.559 ( 15.262 -0.739 0.000) 15.280 13.736 ( -16.438 0.390 0.000) 16.442 14.904 ( -8.771 1.541 0.000) 8.905 15.036 ( -5.978 2.498 0.000) 6.478 16.679 ( 9.812 -0.159 0.000) 9.814 17.103 ( -4.133 5.347 0.000) 6.758 17.164 ( -5.022 1.897 0.000) 5.368 17.315 ( 6.155 -4.235 0.000) 7.472 18.951 ( 8.714 0.244 0.000) 8.717 19.019 ( 7.987 -2.797 0.000) 8.462 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -0.050 -0.112 0.000) 0.123 1.919 ( -0.061 0.318 0.000) 0.324 2.327 ( 2.091 2.435 0.000) 3.209 2.636 ( 2.716 1.558 0.000) 3.131 2.731 ( 16.238 -2.556 0.000) 16.438 3.082 ( 4.503 -1.609 0.000) 4.782 3.285 ( -1.591 3.448 0.000) 3.797 3.456 ( 12.743 -4.267 0.000) 13.438 3.627 ( 15.222 0.126 0.000) 15.222 3.730 ( -1.472 5.729 0.000) 5.915 4.219 ( 1.727 -6.177 0.000) 6.414 4.326 ( -10.739 0.540 0.000) 10.753 4.331 ( 5.371 -5.306 0.000) 7.550 4.705 ( 12.833 -7.988 0.000) 15.116 4.898 ( 2.072 0.162 0.000) 2.078 4.967 ( 3.245 -2.084 0.000) 3.857 5.878 ( -8.019 10.176 0.000) 12.956 6.488 ( -2.177 11.498 0.000) 11.702 6.948 ( -6.906 3.332 0.000) 7.668 7.236 ( 3.949 5.384 0.000) 6.677 7.488 ( 6.866 -4.612 0.000) 8.271 7.526 ( -1.201 -16.665 0.000) 16.708 7.588 ( 2.732 0.849 0.000) 2.861 8.527 ( 10.134 5.924 0.000) 11.738 8.628 ( 6.257 1.150 0.000) 6.362 8.787 ( -1.664 -3.046 0.000) 3.470 8.980 ( 8.556 0.911 0.000) 8.604 9.234 ( -12.833 -1.146 0.000) 12.884 9.726 ( 0.155 0.085 0.000) 0.176 9.906 ( 6.344 -0.187 0.000) 6.347 10.201 ( 6.861 -0.135 0.000) 6.863 10.416 ( -15.233 -0.027 0.000) 15.233 11.510 ( -0.159 -0.995 0.000) 1.007 11.656 ( -1.851 -0.633 0.000) 1.956 11.666 ( -0.748 -0.111 0.000) 0.756 11.755 ( 4.812 -1.962 0.000) 5.197 12.027 ( -0.935 0.011 0.000) 0.935 12.147 ( -13.943 0.745 0.000) 13.963 12.900 ( 18.875 -1.031 0.000) 18.903 13.402 ( -17.844 0.779 0.000) 17.861 14.728 ( -9.164 -0.418 0.000) 9.173 14.903 ( -6.126 2.146 0.000) 6.491 16.815 ( 4.273 -0.653 0.000) 4.323 17.006 ( -2.499 4.060 0.000) 4.768 17.042 ( -6.364 1.820 0.000) 6.619 17.445 ( 5.559 -0.829 0.000) 5.620 19.068 ( 3.563 -0.552 0.000) 3.605 19.154 ( 4.359 -2.355 0.000) 4.954 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.474 0.048 0.000) 0.476 1.896 ( -2.045 -0.081 0.000) 2.047 2.315 ( -1.523 2.882 0.000) 3.260 2.605 ( -3.637 0.101 0.000) 3.638 3.009 ( 11.108 4.331 0.000) 11.923 3.135 ( 0.526 0.298 0.000) 0.605 3.209 ( -2.873 5.156 0.000) 5.902 3.602 ( -7.783 2.100 0.000) 8.061 3.660 ( 6.466 0.490 0.000) 6.484 3.790 ( -3.339 4.654 0.000) 5.727 4.096 ( -3.095 -4.727 0.000) 5.651 4.268 ( -6.712 -6.770 0.000) 9.533 4.431 ( -0.618 -11.427 0.000) 11.444 4.858 ( -3.439 -0.127 0.000) 3.441 4.929 ( 4.578 -5.067 0.000) 6.829 5.168 ( 13.992 1.989 0.000) 14.133 5.617 ( -11.252 9.337 0.000) 14.621 6.263 ( -10.242 15.272 0.000) 18.388 6.786 ( -12.048 -7.881 0.000) 14.397 7.198 ( -4.196 5.043 0.000) 6.560 7.523 ( -6.154 -3.993 0.000) 7.335 7.536 ( -7.926 -14.271 0.000) 16.324 7.600 ( -1.819 -1.163 0.000) 2.159 8.538 ( -3.044 8.377 0.000) 8.913 8.643 ( -4.708 0.260 0.000) 4.715 8.770 ( -2.614 -3.505 0.000) 4.373 9.002 ( -6.655 1.827 0.000) 6.901 9.273 ( 17.360 -0.402 0.000) 17.365 9.731 ( -0.293 -0.148 0.000) 0.329 9.994 ( 3.962 2.476 0.000) 4.672 10.212 ( -5.720 0.160 0.000) 5.723 10.419 ( 15.641 0.042 0.000) 15.641 11.520 ( -1.461 -1.167 0.000) 1.870 11.636 ( 2.432 -0.086 0.000) 2.434 11.678 ( 2.097 0.216 0.000) 2.108 12.011 ( -0.773 -0.477 0.000) 0.908 12.014 ( 18.584 1.978 0.000) 18.689 12.094 ( 11.070 1.150 0.000) 11.130 13.031 ( -16.182 2.823 0.000) 16.426 13.295 ( 17.629 -2.482 0.000) 17.802 14.563 ( -9.968 -5.176 0.000) 11.231 14.781 ( -6.024 -0.689 0.000) 6.064 16.852 ( -1.695 -1.310 0.000) 2.143 16.902 ( -7.002 -0.074 0.000) 7.003 16.957 ( -0.142 3.263 0.000) 3.266 17.536 ( 4.369 2.258 0.000) 4.918 19.093 ( -1.348 -0.559 0.000) 1.459 19.218 ( 1.119 -0.872 0.000) 1.419 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 1.150 0.072 0.000) 1.153 1.847 ( -3.415 -0.992 0.000) 3.556 2.235 ( -4.794 2.411 0.000) 5.366 2.501 ( -7.132 0.537 0.000) 7.152 2.991 ( -4.894 14.581 0.000) 15.381 3.080 ( -5.821 2.634 0.000) 6.389 3.215 ( 4.349 0.739 0.000) 4.411 3.453 ( -7.528 -0.665 0.000) 7.558 3.486 ( -18.627 3.934 0.000) 19.038 3.680 ( -1.032 8.447 0.000) 8.510 4.013 ( -16.817 -8.265 0.000) 18.738 4.280 ( 6.028 -4.465 0.000) 7.502 4.442 ( -7.339 -11.739 0.000) 13.844 4.791 ( -2.905 1.219 0.000) 3.150 4.848 ( -12.157 11.497 0.000) 16.732 5.414 ( 13.309 4.868 0.000) 14.172 5.417 ( -6.400 -3.999 0.000) 7.547 5.961 ( -12.771 6.549 0.000) 14.352 6.585 ( -15.824 -12.642 0.000) 20.254 7.020 ( -10.948 4.094 0.000) 11.689 7.324 ( -16.360 -3.026 0.000) 16.638 7.409 ( -15.899 -17.744 0.000) 23.825 7.542 ( -4.345 1.966 0.000) 4.769 8.325 ( -13.543 8.862 0.000) 16.185 8.452 ( -13.333 1.875 0.000) 13.464 8.732 ( -4.209 -5.272 0.000) 6.747 8.925 ( 0.489 1.156 0.000) 1.255 9.669 ( 23.747 2.492 0.000) 23.878 9.714 ( -0.645 1.115 0.000) 1.288 10.056 ( 5.949 4.623 0.000) 7.534 10.190 ( 3.184 0.692 0.000) 3.258 10.763 ( 19.038 0.086 0.000) 19.038 11.499 ( -0.051 -2.125 0.000) 2.125 11.743 ( 5.193 1.482 0.000) 5.401 11.791 ( 14.583 3.339 0.000) 14.960 12.012 ( 0.512 -1.542 0.000) 1.625 12.389 ( 25.013 10.149 0.000) 26.994 12.463 ( 23.380 -1.171 0.000) 23.410 12.708 ( -14.075 3.344 0.000) 14.467 13.653 ( 17.411 -1.972 0.000) 17.522 14.425 ( -10.230 -12.620 0.000) 16.246 14.686 ( -6.051 -5.649 0.000) 8.278 16.708 ( -10.687 0.586 0.000) 10.703 16.835 ( -5.236 -6.327 0.000) 8.212 16.952 ( 1.311 2.581 0.000) 2.895 17.578 ( 2.358 4.527 0.000) 5.105 19.025 ( -5.639 0.688 0.000) 5.681 19.203 ( -2.849 0.977 0.000) 3.012 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 2.217 -0.106 0.000) 2.219 1.774 ( -5.196 -1.054 0.000) 5.302 2.113 ( -6.467 0.836 0.000) 6.521 2.320 ( -10.689 3.820 0.000) 11.351 2.751 ( -9.069 14.791 0.000) 17.350 2.900 ( -10.348 1.158 0.000) 10.412 3.016 ( -23.609 8.255 0.000) 25.011 3.267 ( 2.041 3.285 0.000) 3.867 3.405 ( -2.925 -6.377 0.000) 7.016 3.529 ( -6.774 13.407 0.000) 15.021 3.695 ( -19.020 -4.656 0.000) 19.581 4.264 ( -16.473 -1.788 0.000) 16.569 4.381 ( -1.470 -7.109 0.000) 7.260 4.414 ( -19.255 18.834 0.000) 26.935 4.760 ( 1.337 0.634 0.000) 1.479 5.351 ( -7.841 -10.352 0.000) 12.987 5.576 ( 7.223 8.749 0.000) 11.345 5.699 ( -14.678 -5.228 0.000) 15.581 6.362 ( -16.874 -15.441 0.000) 22.873 6.748 ( -14.583 1.889 0.000) 14.705 6.982 ( -19.529 -0.953 0.000) 19.552 7.192 ( -17.640 -12.916 0.000) 21.863 7.404 ( -9.827 -4.011 0.000) 10.614 7.894 ( -24.634 8.669 0.000) 26.115 8.168 ( -13.071 5.079 0.000) 14.023 8.691 ( -3.987 -6.667 0.000) 7.768 9.012 ( 8.669 0.053 0.000) 8.669 9.712 ( 1.767 1.933 0.000) 2.619 10.113 ( 24.596 5.419 0.000) 25.186 10.188 ( 11.793 5.766 0.000) 13.127 10.308 ( 9.710 1.497 0.000) 9.824 11.076 ( 11.904 -0.188 0.000) 11.905 11.571 ( 6.015 -2.346 0.000) 6.456 11.844 ( 6.368 3.123 0.000) 7.093 12.074 ( 5.659 -1.243 0.000) 5.794 12.116 ( 21.559 6.166 0.000) 22.424 12.495 ( -4.276 4.055 0.000) 5.893 12.777 ( 22.048 14.029 0.000) 26.133 12.939 ( 26.005 1.270 0.000) 26.036 13.973 ( 14.598 -1.577 0.000) 14.683 14.372 ( -5.552 -20.673 0.000) 21.405 14.630 ( -5.778 -12.299 0.000) 13.589 16.459 ( -15.219 0.606 0.000) 15.231 16.763 ( -8.536 -12.352 0.000) 15.014 16.960 ( 0.743 2.262 0.000) 2.381 17.560 ( -1.201 4.899 0.000) 5.044 18.876 ( -8.423 2.763 0.000) 8.864 19.090 ( -7.470 3.554 0.000) 8.273 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -7.769 1.669 0.000) 7.946 1.734 ( 3.495 -0.096 0.000) 3.496 1.981 ( -8.114 -1.112 0.000) 8.190 2.033 ( -14.507 10.538 0.000) 17.930 2.477 ( -10.613 9.824 0.000) 14.462 2.489 ( -24.500 8.439 0.000) 25.913 2.722 ( -7.773 -1.732 0.000) 7.964 3.213 ( -5.638 18.756 0.000) 19.585 3.256 ( -10.922 6.326 0.000) 12.622 3.389 ( -8.049 2.706 0.000) 8.492 3.423 ( -6.259 -11.678 0.000) 13.250 3.839 ( -23.295 7.991 0.000) 24.627 3.999 ( -10.521 15.639 0.000) 18.849 4.310 ( -10.509 -9.268 0.000) 14.012 4.834 ( 5.123 -1.300 0.000) 5.285 5.208 ( -14.506 -10.087 0.000) 17.668 5.447 ( -17.584 -10.386 0.000) 20.423 5.523 ( -7.379 9.555 0.000) 12.072 6.168 ( -13.862 -15.921 0.000) 21.111 6.481 ( -11.581 1.857 0.000) 11.729 6.647 ( -13.665 1.692 0.000) 13.769 6.872 ( -20.777 -2.090 0.000) 20.882 7.183 ( -24.674 0.174 0.000) 24.674 7.433 ( -12.259 -9.306 0.000) 15.390 7.910 ( -9.148 6.856 0.000) 11.432 8.671 ( -2.440 -5.981 0.000) 6.460 9.228 ( 12.571 -1.214 0.000) 12.630 9.758 ( 4.153 1.567 0.000) 4.439 10.420 ( 15.840 5.988 0.000) 16.934 10.486 ( 16.566 5.370 0.000) 17.414 10.546 ( 17.730 4.074 0.000) 18.192 11.184 ( 0.206 0.545 0.000) 0.583 11.756 ( 11.803 -2.496 0.000) 12.064 11.935 ( 5.115 1.423 0.000) 5.310 12.232 ( 10.690 4.883 0.000) 11.753 12.465 ( 16.906 6.619 0.000) 18.155 12.544 ( 12.401 3.006 0.000) 12.761 12.985 ( 7.809 9.612 0.000) 12.384 13.412 ( 24.257 3.523 0.000) 24.512 14.223 ( 10.633 -1.004 0.000) 10.680 14.541 ( 9.945 -19.470 0.000) 21.863 14.651 ( -1.632 -18.919 0.000) 18.989 16.115 ( -20.200 1.056 0.000) 20.228 16.686 ( -10.272 -19.855 0.000) 22.355 16.931 ( -2.513 2.912 0.000) 3.846 17.455 ( -7.825 2.116 0.000) 8.107 18.689 ( -7.343 5.912 0.000) 9.427 18.873 ( -11.395 6.954 0.000) 13.349 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -11.285 7.780 0.000) 13.707 1.609 ( -20.040 15.594 0.000) 25.392 1.729 ( -19.096 1.699 0.000) 19.171 1.818 ( 3.049 -1.788 0.000) 3.535 2.078 ( -11.293 4.519 0.000) 12.163 2.223 ( -10.769 5.680 0.000) 12.176 2.656 ( -1.062 -4.835 0.000) 4.950 2.742 ( -22.919 22.242 0.000) 31.937 3.062 ( -5.936 17.004 0.000) 18.010 3.236 ( -3.644 1.163 0.000) 3.825 3.391 ( -17.233 5.653 0.000) 18.136 3.456 ( -0.187 -8.567 0.000) 8.569 3.827 ( 2.032 13.139 0.000) 13.295 4.143 ( -14.039 -13.553 0.000) 19.514 4.937 ( 3.935 -1.778 0.000) 4.318 4.955 ( -17.489 -9.338 0.000) 19.826 5.173 ( -17.184 -9.375 0.000) 19.575 5.204 ( -18.398 4.973 0.000) 19.059 6.037 ( -9.482 -9.180 0.000) 13.197 6.255 ( -9.404 5.475 0.000) 10.882 6.485 ( -2.193 4.612 0.000) 5.107 6.488 ( -19.715 -3.456 0.000) 20.016 6.596 ( -28.072 6.730 0.000) 28.867 7.409 ( -5.497 -15.776 0.000) 16.707 7.773 ( -1.378 0.710 0.000) 1.550 8.675 ( -0.874 -4.581 0.000) 4.663 9.467 ( 10.423 -2.249 0.000) 10.663 9.838 ( 4.596 0.572 0.000) 4.632 10.678 ( 14.439 6.066 0.000) 15.661 10.698 ( 8.603 3.877 0.000) 9.436 10.861 ( 17.491 5.644 0.000) 18.379 11.139 ( -1.821 3.301 0.000) 3.770 12.041 ( 6.819 -0.212 0.000) 6.823 12.057 ( 17.567 -3.310 0.000) 17.877 12.373 ( 8.728 10.368 0.000) 13.552 12.542 ( -10.930 -5.293 0.000) 12.144 12.885 ( 22.981 1.486 0.000) 23.029 13.028 ( 4.420 6.326 0.000) 7.717 13.774 ( 13.803 -0.652 0.000) 13.819 14.387 ( 5.890 -0.550 0.000) 5.916 14.860 ( 11.979 -19.377 0.000) 22.781 14.991 ( 26.045 -6.749 0.000) 26.905 15.682 ( -23.802 1.728 0.000) 23.865 16.651 ( -9.084 -26.860 0.000) 28.354 16.798 ( -9.771 4.569 0.000) 10.787 17.216 ( -17.776 -3.007 0.000) 18.028 18.537 ( -6.259 11.277 0.000) 12.897 18.602 ( -6.167 8.865 0.000) 10.799 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -32.985 10.883 0.000) 34.734 1.031 ( -21.705 16.023 0.000) 26.979 1.447 ( -7.016 3.732 0.000) 7.947 1.856 ( 0.159 11.835 0.000) 11.836 1.918 ( -5.101 1.841 0.000) 5.423 1.976 ( -8.751 10.759 0.000) 13.869 2.197 ( -15.259 16.564 0.000) 22.521 2.720 ( 2.810 -4.928 0.000) 5.673 2.843 ( -2.757 20.388 0.000) 20.574 3.122 ( -8.844 1.448 0.000) 8.962 3.237 ( 3.927 0.693 0.000) 3.987 3.508 ( -0.397 -6.695 0.000) 6.707 3.864 ( 9.511 11.382 0.000) 14.832 3.992 ( -11.520 -18.516 0.000) 21.807 4.718 ( -12.161 -8.893 0.000) 15.066 4.830 ( -14.392 1.185 0.000) 14.440 4.950 ( -11.262 -7.684 0.000) 13.634 5.021 ( 1.618 -1.571 0.000) 2.255 5.886 ( -8.923 3.904 0.000) 9.739 6.079 ( -4.902 5.284 0.000) 7.207 6.098 ( -16.208 6.244 0.000) 17.369 6.241 ( -12.009 -10.839 0.000) 16.177 6.435 ( 0.559 8.668 0.000) 8.686 7.398 ( -3.411 -10.337 0.000) 10.885 7.822 ( 2.002 -7.376 0.000) 7.643 8.697 ( 0.029 -4.123 0.000) 4.123 9.637 ( 5.398 -3.090 0.000) 6.220 9.913 ( 3.039 -0.331 0.000) 3.057 10.762 ( 0.977 1.551 0.000) 1.833 10.868 ( 9.765 6.253 0.000) 11.595 11.079 ( 5.556 8.157 0.000) 9.869 11.124 ( 6.139 4.701 0.000) 7.732 12.127 ( -34.567 -14.850 0.000) 37.622 12.196 ( 8.533 0.121 0.000) 8.534 12.411 ( 2.797 11.501 0.000) 11.837 12.472 ( 19.151 -3.952 0.000) 19.554 13.037 ( -1.298 3.660 0.000) 3.883 13.329 ( 21.882 0.328 0.000) 21.885 13.956 ( 3.191 -8.591 0.000) 9.164 14.461 ( 1.890 -0.583 0.000) 1.978 15.220 ( -21.425 2.620 0.000) 21.584 15.334 ( 25.754 -9.503 0.000) 27.451 15.584 ( 33.873 2.504 0.000) 33.966 16.466 ( -22.151 4.088 0.000) 22.525 16.707 ( -4.864 -30.515 0.000) 30.900 16.826 ( -25.583 -4.681 0.000) 26.008 18.253 ( -9.240 15.504 0.000) 18.049 18.627 ( 10.024 6.618 0.000) 12.011 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -0.000 15.207 0.000) 15.207 0.629 ( -0.000 22.596 0.000) 22.596 1.356 ( -0.000 4.750 0.000) 4.750 1.545 ( -0.000 54.471 0.000) 54.471 1.856 ( -0.000 1.418 0.000) 1.418 1.859 ( 0.000 -1.846 0.000) 1.846 2.040 ( -0.000 0.186 0.000) 0.186 2.693 ( -0.000 18.352 0.000) 18.352 2.776 ( 0.000 -2.636 0.000) 2.636 3.033 ( 0.000 -0.227 0.000) 0.227 3.306 ( -0.000 0.071 0.000) 0.071 3.532 ( 0.000 -6.698 0.000) 6.698 3.957 ( -0.000 5.622 0.000) 5.622 3.997 ( 0.000 -18.293 0.000) 18.293 4.653 ( 0.000 -8.298 0.000) 8.298 4.682 ( 0.000 -1.003 0.000) 1.003 4.881 ( 0.000 -6.917 0.000) 6.917 5.046 ( 0.000 -0.648 0.000) 0.648 5.707 ( -0.000 8.393 0.000) 8.393 5.918 ( -0.000 5.134 0.000) 5.134 6.003 ( -0.000 3.317 0.000) 3.317 6.184 ( 0.000 -7.055 0.000) 7.055 6.376 ( -0.000 10.609 0.000) 10.609 7.441 ( 0.000 -12.167 0.000) 12.167 7.890 ( 0.000 -5.432 0.000) 5.432 8.726 ( 0.000 -4.385 0.000) 4.385 9.711 ( 0.000 -3.589 0.000) 3.589 9.948 ( 0.000 -0.699 0.000) 0.699 10.758 ( -0.000 0.934 0.000) 0.934 10.965 ( -0.000 3.848 0.000) 3.848 11.056 ( -0.000 7.893 0.000) 7.893 11.175 ( -0.000 5.551 0.000) 5.551 11.638 ( -0.000 0.389 0.000) 0.389 12.302 ( -0.000 0.567 0.000) 0.567 12.347 ( -0.000 9.768 0.000) 9.768 12.748 ( 0.000 -0.607 0.000) 0.607 12.973 ( 0.000 -2.895 0.000) 2.895 13.580 ( 0.000 -0.478 0.000) 0.478 14.048 ( 0.000 -10.911 0.000) 10.911 14.481 ( 0.000 -0.653 0.000) 0.653 14.955 ( -0.000 3.107 0.000) 3.107 15.813 ( 0.000 -0.234 0.000) 0.234 16.021 ( -0.000 0.106 0.000) 0.106 16.182 ( 0.000 -0.031 0.000) 0.031 16.335 ( -0.000 0.309 0.000) 0.309 16.861 ( 0.000 -28.640 0.000) 28.640 18.047 ( -0.000 16.661 0.000) 16.661 18.775 ( 0.000 -1.902 0.000) 1.902 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.041 0.000 0.000) 0.041 1.921 ( -0.121 -0.000 0.000) 0.121 2.345 ( 2.105 0.000 0.000) 2.105 2.649 ( -0.501 -0.000 0.000) 0.501 2.714 ( 21.280 0.000 0.000) 21.280 3.070 ( 5.142 0.000 0.000) 5.142 3.312 ( -0.717 -0.000 0.000) 0.717 3.420 ( 12.950 0.000 0.000) 12.950 3.627 ( 15.218 0.000 0.000) 15.218 3.779 ( -2.382 -0.000 0.000) 2.382 4.165 ( 4.266 0.000 0.000) 4.266 4.303 ( 5.002 0.000 0.000) 5.002 4.332 ( -13.957 -0.000 0.000) 13.957 4.644 ( 13.108 0.000 0.000) 13.108 4.898 ( -2.095 -0.000 0.000) 2.095 4.954 ( 8.729 0.000 0.000) 8.729 5.951 ( -8.617 -0.000 0.000) 8.617 6.557 ( -0.297 -0.000 0.000) 0.297 7.013 ( -12.757 -0.000 0.000) 12.757 7.282 ( 3.423 0.000 0.000) 3.423 7.364 ( 1.690 0.000 0.000) 1.690 7.448 ( 7.444 0.000 0.000) 7.444 7.606 ( 2.538 0.000 0.000) 2.538 8.562 ( 10.820 0.000 0.000) 10.820 8.649 ( 6.551 0.000 0.000) 6.551 8.758 ( -2.723 -0.000 0.000) 2.723 8.987 ( 9.219 0.000 0.000) 9.219 9.226 ( -13.055 -0.000 0.000) 13.055 9.727 ( -0.416 -0.000 0.000) 0.416 9.905 ( 7.491 0.000 0.000) 7.491 10.200 ( 6.948 0.000 0.000) 6.948 10.416 ( -15.210 -0.000 0.000) 15.210 11.503 ( 0.278 0.000 0.000) 0.278 11.649 ( -3.822 -0.000 0.000) 3.822 11.666 ( -0.699 -0.000 0.000) 0.699 11.744 ( 7.490 0.000 0.000) 7.490 12.027 ( -1.007 -0.000 0.000) 1.007 12.152 ( -13.785 -0.000 0.000) 13.785 12.894 ( 19.163 0.000 0.000) 19.163 13.407 ( -17.966 -0.000 0.000) 17.966 14.725 ( -10.342 -0.000 0.000) 10.342 14.917 ( -7.065 -0.000 0.000) 7.065 16.811 ( 4.085 0.000 0.000) 4.085 17.036 ( -3.380 -0.000 0.000) 3.380 17.054 ( -6.927 -0.000 0.000) 6.927 17.439 ( 6.922 0.000 0.000) 6.922 19.065 ( 3.333 0.000 0.000) 3.333 19.137 ( 5.171 0.000 0.000) 5.171 ======================= Grid point 43 (31/147) ======================= q-point: ( 0.31 0.23 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.523 0.014 0.000) 0.523 1.896 ( -2.360 -0.004 0.000) 2.360 2.345 ( -1.647 1.345 0.000) 2.126 2.607 ( -3.789 0.054 0.000) 3.789 3.054 ( 14.267 1.938 0.000) 14.398 3.138 ( 1.964 0.086 0.000) 1.966 3.282 ( -1.388 4.471 0.000) 4.682 3.628 ( 7.521 -3.576 0.000) 8.328 3.629 ( -11.333 1.453 0.000) 11.426 3.845 ( 4.458 2.885 0.000) 5.310 4.040 ( -14.416 -3.015 0.000) 14.728 4.195 ( -1.990 -3.313 0.000) 3.864 4.341 ( -1.523 -2.519 0.000) 2.943 4.857 ( 7.203 -3.895 0.000) 8.188 4.858 ( -2.323 0.026 0.000) 2.323 5.184 ( 14.522 0.598 0.000) 14.534 5.724 ( -12.996 4.980 0.000) 13.918 6.440 ( -9.587 8.468 0.000) 12.791 6.713 ( -17.243 -2.341 0.000) 17.401 7.261 ( -4.210 3.440 0.000) 5.437 7.334 ( -8.914 -10.625 0.000) 13.869 7.471 ( -6.111 -2.965 0.000) 6.793 7.623 ( -0.114 1.289 0.000) 1.294 8.620 ( -3.782 2.767 0.000) 4.686 8.657 ( -4.363 3.070 0.000) 5.334 8.719 ( -2.866 -4.128 0.000) 5.025 9.021 ( -7.590 0.854 0.000) 7.638 9.267 ( 19.170 -0.289 0.000) 19.172 9.729 ( 0.056 -0.109 0.000) 0.122 10.018 ( 4.871 0.979 0.000) 4.969 10.214 ( -5.578 0.057 0.000) 5.578 10.419 ( 15.707 0.015 0.000) 15.707 11.508 ( -2.071 -0.470 0.000) 2.123 11.635 ( 4.328 -0.043 0.000) 4.328 11.680 ( 2.414 0.084 0.000) 2.415 12.006 ( -1.146 -0.199 0.000) 1.163 12.023 ( 19.547 0.066 0.000) 19.547 12.113 ( 11.822 1.049 0.000) 11.869 13.060 ( -17.269 1.280 0.000) 17.317 13.269 ( 19.067 -1.158 0.000) 19.102 14.514 ( -12.353 -1.986 0.000) 12.512 14.774 ( -7.833 -0.259 0.000) 7.837 16.837 ( -1.585 -0.700 0.000) 1.732 16.905 ( -8.587 0.214 0.000) 8.590 16.992 ( -0.709 1.522 0.000) 1.679 17.558 ( 5.579 0.925 0.000) 5.655 19.087 ( -1.067 -0.297 0.000) 1.107 19.207 ( 1.889 -0.499 0.000) 1.954 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 1.098 0.042 0.000) 1.098 1.837 ( -3.788 -0.490 0.000) 3.820 2.266 ( -5.280 1.997 0.000) 5.645 2.505 ( -6.731 0.153 0.000) 6.733 3.123 ( -3.577 3.612 0.000) 5.084 3.177 ( -4.631 10.959 0.000) 11.898 3.233 ( 7.125 3.639 0.000) 8.001 3.394 ( -12.299 -4.780 0.000) 13.196 3.589 ( -18.251 8.312 0.000) 20.054 3.736 ( 1.357 -0.838 0.000) 1.595 3.891 ( -14.099 -9.418 0.000) 16.955 4.238 ( 4.835 -2.008 0.000) 5.236 4.300 ( -5.886 -7.561 0.000) 9.582 4.804 ( -2.854 0.695 0.000) 2.938 4.921 ( -3.991 0.292 0.000) 4.002 5.426 ( -12.912 4.276 0.000) 13.601 5.462 ( 14.612 2.311 0.000) 14.793 6.103 ( -16.137 13.110 0.000) 20.791 6.424 ( -18.199 -11.322 0.000) 21.434 7.085 ( -10.964 5.383 0.000) 12.214 7.173 ( -16.286 -15.506 0.000) 22.487 7.272 ( -16.403 -4.536 0.000) 17.019 7.578 ( -3.975 2.198 0.000) 4.542 8.410 ( -15.769 3.593 0.000) 16.173 8.490 ( -10.146 4.190 0.000) 10.977 8.659 ( -5.997 -5.444 0.000) 8.099 8.939 ( 0.015 0.848 0.000) 0.848 9.695 ( 25.146 1.335 0.000) 25.181 9.726 ( 0.036 0.574 0.000) 0.575 10.106 ( 6.460 2.697 0.000) 7.000 10.197 ( 3.498 0.383 0.000) 3.519 10.764 ( 18.962 0.049 0.000) 18.962 11.477 ( -0.081 -1.173 0.000) 1.176 11.762 ( 6.626 1.171 0.000) 6.729 11.825 ( 15.946 1.805 0.000) 16.048 11.992 ( -0.491 -1.254 0.000) 1.347 12.451 ( 23.694 -0.623 0.000) 23.702 12.499 ( 28.348 6.102 0.000) 28.997 12.744 ( -13.830 2.020 0.000) 13.976 13.631 ( 17.732 -1.231 0.000) 17.775 14.286 ( -14.462 -7.740 0.000) 16.403 14.626 ( -8.757 -3.163 0.000) 9.310 16.714 ( -10.951 0.364 0.000) 10.957 16.769 ( -7.322 -3.576 0.000) 8.148 16.985 ( 1.077 2.118 0.000) 2.376 17.629 ( 2.870 2.827 0.000) 4.028 19.029 ( -4.955 0.078 0.000) 4.955 19.209 ( -2.003 0.130 0.000) 2.007 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 1.982 -0.130 0.000) 1.987 1.760 ( -4.771 -0.947 0.000) 4.864 2.129 ( -7.534 1.365 0.000) 7.657 2.347 ( -9.499 0.993 0.000) 9.551 2.936 ( -11.095 4.332 0.000) 11.911 2.954 ( -9.761 14.737 0.000) 17.676 3.110 ( -23.074 5.041 0.000) 23.618 3.306 ( 3.109 2.789 0.000) 4.176 3.313 ( -5.611 -6.574 0.000) 8.643 3.631 ( -16.091 -4.909 0.000) 16.823 3.675 ( -5.118 7.524 0.000) 9.100 4.200 ( -10.564 -6.362 0.000) 12.332 4.306 ( -1.777 -4.195 0.000) 4.556 4.646 ( -17.311 14.699 0.000) 22.710 4.766 ( 0.168 0.301 0.000) 0.345 5.239 ( -8.605 -5.838 0.000) 10.398 5.671 ( 8.515 5.490 0.000) 10.132 5.713 ( -17.294 6.380 0.000) 18.434 6.156 ( -18.877 -15.114 0.000) 24.182 6.783 ( -16.612 3.185 0.000) 16.915 6.959 ( -17.407 -2.310 0.000) 17.560 6.960 ( -16.572 -18.399 0.000) 24.762 7.415 ( -11.785 2.535 0.000) 12.055 7.980 ( -25.924 4.380 0.000) 26.291 8.246 ( -10.981 6.543 0.000) 12.782 8.592 ( -5.072 -7.913 0.000) 9.399 9.015 ( 8.018 0.318 0.000) 8.024 9.735 ( 1.885 1.481 0.000) 2.397 10.173 ( 25.585 3.603 0.000) 25.837 10.255 ( 11.778 4.079 0.000) 12.464 10.325 ( 10.161 1.032 0.000) 10.214 11.073 ( 11.777 -0.162 0.000) 11.778 11.544 ( 6.105 -1.655 0.000) 6.325 11.892 ( 6.618 4.030 0.000) 7.748 12.048 ( 7.304 -2.691 0.000) 7.784 12.189 ( 23.012 4.596 0.000) 23.466 12.544 ( -4.108 3.202 0.000) 5.209 12.882 ( 20.075 1.893 0.000) 20.164 13.034 ( 31.952 12.380 0.000) 34.267 13.953 ( 14.940 -1.253 0.000) 14.993 14.112 ( -9.834 -17.893 0.000) 20.418 14.487 ( -9.621 -8.785 0.000) 13.028 16.466 ( -15.002 0.507 0.000) 15.011 16.620 ( -12.215 -8.860 0.000) 15.090 16.993 ( 0.928 2.453 0.000) 2.623 17.618 ( -2.120 3.648 0.000) 4.219 18.903 ( -7.414 1.378 0.000) 7.541 19.124 ( -6.273 1.738 0.000) 6.510 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -5.561 0.484 0.000) 5.582 1.727 ( 3.071 -0.661 0.000) 3.141 1.972 ( -8.770 -0.392 0.000) 8.779 2.123 ( -12.711 3.916 0.000) 13.300 2.601 ( -24.327 8.209 0.000) 25.675 2.620 ( -15.869 10.881 0.000) 19.241 2.716 ( -9.024 1.122 0.000) 9.093 3.260 ( -8.390 -12.867 0.000) 15.361 3.308 ( -1.573 4.070 0.000) 4.364 3.415 ( -5.917 1.250 0.000) 6.047 3.464 ( -8.104 15.136 0.000) 17.169 3.936 ( -17.804 6.525 0.000) 18.962 4.207 ( -11.411 -6.210 0.000) 12.991 4.219 ( -12.243 17.171 0.000) 21.089 4.816 ( 4.064 -1.307 0.000) 4.269 5.093 ( -12.554 -7.308 0.000) 14.527 5.367 ( -17.165 -1.086 0.000) 17.200 5.631 ( -10.168 6.701 0.000) 12.178 5.929 ( -15.914 -19.305 0.000) 25.019 6.505 ( -8.795 1.746 0.000) 8.967 6.667 ( -12.667 1.350 0.000) 12.739 6.781 ( -15.524 -12.953 0.000) 20.218 7.130 ( -16.577 -3.181 0.000) 16.880 7.412 ( -28.035 2.660 0.000) 28.161 8.007 ( -8.757 7.786 0.000) 11.718 8.577 ( -2.314 -8.138 0.000) 8.461 9.216 ( 12.059 -0.588 0.000) 12.073 9.780 ( 3.733 1.566 0.000) 4.048 10.493 ( 15.609 4.823 0.000) 16.337 10.541 ( 14.796 3.237 0.000) 15.146 10.600 ( 19.331 3.481 0.000) 19.642 11.192 ( 1.559 0.551 0.000) 1.653 11.727 ( 11.807 -1.910 0.000) 11.961 11.955 ( 3.495 1.415 0.000) 3.771 12.292 ( 15.828 3.983 0.000) 16.321 12.554 ( 14.919 6.521 0.000) 16.282 12.588 ( 11.461 3.497 0.000) 11.983 13.076 ( 2.108 4.120 0.000) 4.628 13.498 ( 24.095 9.474 0.000) 25.890 14.210 ( 11.031 -0.946 0.000) 11.072 14.299 ( 17.059 -17.047 0.000) 24.117 14.414 ( -3.618 -16.368 0.000) 16.763 16.129 ( -19.848 0.995 0.000) 19.873 16.438 ( -15.131 -16.896 0.000) 22.681 16.972 ( -1.707 3.036 0.000) 3.483 17.483 ( -10.496 1.985 0.000) 10.682 18.750 ( -6.283 3.364 0.000) 7.127 18.949 ( -9.724 4.524 0.000) 10.725 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -5.995 5.516 0.000) 8.146 1.749 ( -16.235 1.278 0.000) 16.285 1.759 ( -18.635 5.948 0.000) 19.561 1.807 ( 0.466 2.266 0.000) 2.314 2.149 ( -15.087 6.144 0.000) 16.290 2.243 ( -18.426 -0.898 0.000) 18.448 2.606 ( -2.348 -2.321 0.000) 3.302 3.074 ( -11.396 22.941 0.000) 25.616 3.196 ( -3.942 -8.557 0.000) 9.422 3.286 ( -1.405 14.832 0.000) 14.898 3.377 ( -0.024 -2.229 0.000) 2.229 3.496 ( -18.451 13.041 0.000) 22.594 3.990 ( -15.931 -9.465 0.000) 18.530 4.015 ( 1.175 15.018 0.000) 15.064 4.852 ( -16.231 -5.920 0.000) 17.276 4.908 ( 3.736 -2.386 0.000) 4.433 5.073 ( -15.605 -5.100 0.000) 16.418 5.255 ( -22.417 2.823 0.000) 22.594 5.829 ( -8.711 -21.164 0.000) 22.887 6.338 ( -7.716 6.705 0.000) 10.222 6.468 ( -19.909 -0.623 0.000) 19.919 6.535 ( 0.151 2.953 0.000) 2.957 6.679 ( -28.354 5.268 0.000) 28.840 7.168 ( -5.495 -19.354 0.000) 20.119 7.823 ( -5.100 6.343 0.000) 8.139 8.601 ( -0.519 -6.620 0.000) 6.640 9.443 ( 10.146 -1.389 0.000) 10.240 9.848 ( 4.031 0.910 0.000) 4.132 10.745 ( 7.047 3.335 0.000) 7.797 10.753 ( 14.275 5.177 0.000) 15.185 10.919 ( 17.072 2.895 0.000) 17.316 11.187 ( 0.868 3.707 0.000) 3.807 12.019 ( 17.228 -2.320 0.000) 17.383 12.039 ( 6.367 -0.014 0.000) 6.367 12.483 ( -20.017 -3.542 0.000) 20.328 12.520 ( 12.384 11.436 0.000) 16.857 12.908 ( 22.259 2.013 0.000) 22.350 13.113 ( 5.875 6.354 0.000) 8.654 13.766 ( 6.030 -0.576 0.000) 6.057 14.379 ( 6.063 -0.518 0.000) 6.085 14.614 ( 17.853 -17.375 0.000) 24.912 14.928 ( 35.177 -3.116 0.000) 35.315 15.704 ( -23.325 1.522 0.000) 23.374 16.295 ( -13.952 -26.061 0.000) 29.560 16.860 ( -8.617 4.559 0.000) 9.749 17.185 ( -20.237 -1.793 0.000) 20.316 18.644 ( -2.164 5.142 0.000) 5.579 18.712 ( -9.395 7.778 0.000) 12.196 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -33.685 9.904 0.000) 35.111 1.241 ( -17.540 15.066 0.000) 23.123 1.498 ( -4.824 3.783 0.000) 6.131 1.861 ( 0.083 -2.132 0.000) 2.134 1.944 ( -5.674 2.141 0.000) 6.065 1.984 ( -9.413 -4.038 0.000) 10.242 2.651 ( 3.177 -5.093 0.000) 6.003 2.697 ( -4.943 41.997 0.000) 42.287 3.136 ( -4.589 20.819 0.000) 21.319 3.145 ( -7.859 5.336 0.000) 9.500 3.234 ( 3.638 -2.164 0.000) 4.233 3.420 ( 1.016 -6.367 0.000) 6.447 3.763 ( -14.763 -15.064 0.000) 21.092 4.023 ( 8.031 13.167 0.000) 15.423 4.611 ( -11.960 -7.005 0.000) 13.861 4.837 ( -16.714 0.115 0.000) 16.715 4.853 ( -10.802 -6.529 0.000) 12.622 4.990 ( 1.515 -2.961 0.000) 3.326 5.851 ( -2.204 -13.818 0.000) 13.993 6.116 ( -17.452 -2.981 0.000) 17.705 6.168 ( -4.492 7.569 0.000) 8.801 6.179 ( -16.719 5.444 0.000) 17.583 6.536 ( 1.927 6.564 0.000) 6.841 7.234 ( -2.027 -16.319 0.000) 16.445 7.749 ( -0.863 -1.499 0.000) 1.729 8.637 ( 0.068 -5.109 0.000) 5.110 9.603 ( 5.235 -2.075 0.000) 5.631 9.911 ( 2.665 0.064 0.000) 2.665 10.780 ( -0.176 1.255 0.000) 1.267 10.944 ( 9.116 5.195 0.000) 10.492 11.176 ( 10.636 4.025 0.000) 11.372 11.188 ( 2.359 6.840 0.000) 7.236 11.992 ( -29.074 -6.663 0.000) 29.827 12.198 ( 9.355 0.191 0.000) 9.357 12.425 ( 20.315 -3.056 0.000) 20.544 12.591 ( 4.235 15.347 0.000) 15.921 13.093 ( -5.112 4.783 0.000) 7.001 13.334 ( 20.975 0.506 0.000) 20.981 13.828 ( -1.035 -10.530 0.000) 10.581 14.453 ( 1.619 -0.693 0.000) 1.761 15.212 ( 32.599 -8.410 0.000) 33.667 15.255 ( -20.577 2.626 0.000) 20.744 15.622 ( 36.236 2.893 0.000) 36.351 16.279 ( -7.857 -33.183 0.000) 34.100 16.520 ( -24.662 3.884 0.000) 24.966 16.782 ( -22.755 -2.250 0.000) 22.866 18.445 ( -7.445 13.152 0.000) 15.113 18.675 ( 4.276 1.604 0.000) 4.567 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -0.000 13.817 0.000) 13.817 0.913 ( -0.000 20.068 0.000) 20.068 1.425 ( -0.000 5.579 0.000) 5.579 1.829 ( 0.000 -2.648 0.000) 2.648 1.877 ( -0.000 1.696 0.000) 1.696 1.941 ( -0.000 1.633 0.000) 1.633 2.341 ( -0.000 48.546 0.000) 48.546 2.726 ( 0.000 -4.738 0.000) 4.738 2.970 ( -0.000 23.091 0.000) 23.091 3.030 ( 0.000 -0.279 0.000) 0.279 3.307 ( -0.000 0.101 0.000) 0.101 3.455 ( 0.000 -4.608 0.000) 4.608 3.728 ( 0.000 -21.715 0.000) 21.715 4.057 ( -0.000 9.797 0.000) 9.797 4.540 ( 0.000 -8.373 0.000) 8.373 4.667 ( 0.000 -1.225 0.000) 1.225 4.785 ( 0.000 -7.310 0.000) 7.310 5.025 ( 0.000 -2.430 0.000) 2.430 5.820 ( -0.000 8.400 0.000) 8.400 5.988 ( -0.000 5.215 0.000) 5.215 6.022 ( 0.000 -18.015 0.000) 18.015 6.075 ( -0.000 7.092 0.000) 7.092 6.504 ( -0.000 8.609 0.000) 8.609 7.298 ( 0.000 -10.864 0.000) 10.864 7.784 ( 0.000 -8.298 0.000) 8.298 8.669 ( 0.000 -4.437 0.000) 4.437 9.669 ( 0.000 -2.726 0.000) 2.726 9.940 ( 0.000 -0.436 0.000) 0.436 10.767 ( -0.000 0.626 0.000) 0.626 11.019 ( -0.000 4.059 0.000) 4.059 11.164 ( -0.000 7.810 0.000) 7.810 11.248 ( -0.000 5.172 0.000) 5.172 11.644 ( -0.000 0.475 0.000) 0.475 12.310 ( -0.000 0.689 0.000) 0.689 12.512 ( -0.000 15.058 0.000) 15.058 12.739 ( 0.000 -0.740 0.000) 0.740 12.941 ( 0.000 -1.691 0.000) 1.691 13.573 ( 0.000 -0.584 0.000) 0.584 13.893 ( 0.000 -12.123 0.000) 12.123 14.470 ( 0.000 -0.975 0.000) 0.975 15.001 ( -0.000 3.689 0.000) 3.689 15.794 ( 0.000 -2.544 0.000) 2.544 16.022 ( -0.000 0.129 0.000) 0.129 16.182 ( 0.000 -0.039 0.000) 0.039 16.360 ( -0.000 3.255 0.000) 3.255 16.433 ( 0.000 -34.946 0.000) 34.946 18.269 ( -0.000 16.160 0.000) 16.160 18.746 ( 0.000 -2.431 0.000) 2.431 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 1.078 0.000 0.000) 1.078 1.834 ( -3.937 -0.000 0.000) 3.937 2.281 ( -5.509 -0.000 0.000) 5.509 2.506 ( -6.660 -0.000 0.000) 6.660 3.154 ( -0.697 -0.000 0.000) 0.697 3.217 ( 0.527 0.000 0.000) 0.527 3.312 ( 3.166 0.000 0.000) 3.166 3.356 ( -16.385 -0.000 0.000) 16.385 3.667 ( -20.219 -0.000 0.000) 20.219 3.703 ( 2.264 0.000 0.000) 2.264 3.804 ( -10.804 -0.000 0.000) 10.804 4.225 ( 4.559 0.000 0.000) 4.559 4.256 ( -5.914 -0.000 0.000) 5.914 4.809 ( -2.870 -0.000 0.000) 2.870 4.912 ( -0.954 -0.000 0.000) 0.954 5.466 ( -14.885 -0.000 0.000) 14.885 5.477 ( 15.084 0.000 0.000) 15.084 6.244 ( -14.366 -0.000 0.000) 14.366 6.305 ( -22.446 -0.000 0.000) 22.446 7.057 ( -15.833 -0.000 0.000) 15.833 7.135 ( -9.754 -0.000 0.000) 9.754 7.227 ( -17.647 -0.000 0.000) 17.647 7.593 ( -3.997 -0.000 0.000) 3.997 8.430 ( -16.369 -0.000 0.000) 16.369 8.537 ( -8.810 -0.000 0.000) 8.810 8.608 ( -7.112 -0.000 0.000) 7.112 8.945 ( -0.176 -0.000 0.000) 0.176 9.704 ( 25.660 0.000 0.000) 25.660 9.729 ( 0.307 0.000 0.000) 0.307 10.124 ( 6.610 0.000 0.000) 6.610 10.199 ( 3.610 0.000 0.000) 3.610 10.764 ( 18.932 0.000 0.000) 18.932 11.469 ( -0.100 -0.000 0.000) 0.100 11.770 ( 7.392 0.000 0.000) 7.392 11.838 ( 16.470 0.000 0.000) 16.470 11.983 ( -1.093 -0.000 0.000) 1.093 12.447 ( 23.828 0.000 0.000) 23.828 12.541 ( 29.828 0.000 0.000) 29.828 12.758 ( -13.752 -0.000 0.000) 13.752 13.623 ( 17.867 0.000 0.000) 17.867 14.233 ( -16.218 -0.000 0.000) 16.218 14.605 ( -9.729 -0.000 0.000) 9.729 16.717 ( -11.188 -0.000 0.000) 11.188 16.744 ( -7.938 -0.000 0.000) 7.938 17.000 ( 0.932 0.000 0.000) 0.932 17.648 ( 3.025 0.000 0.000) 3.025 19.029 ( -4.706 -0.000 0.000) 4.706 19.209 ( -1.691 -0.000 0.000) 1.691 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 1.831 -0.050 0.000) 1.831 1.751 ( -4.682 -0.360 0.000) 4.696 2.144 ( -8.294 0.633 0.000) 8.318 2.354 ( -9.169 0.207 0.000) 9.172 3.008 ( -13.575 5.840 0.000) 14.778 3.104 ( -10.392 6.481 0.000) 12.247 3.115 ( -11.760 -4.039 0.000) 12.435 3.267 ( -18.158 -0.220 0.000) 18.160 3.343 ( 1.542 2.476 0.000) 2.917 3.577 ( -12.075 -2.567 0.000) 12.345 3.714 ( -2.294 -0.507 0.000) 2.350 4.139 ( -6.652 -2.071 0.000) 6.967 4.269 ( -2.029 -1.346 0.000) 2.435 4.768 ( -0.469 0.090 0.000) 0.477 4.772 ( -13.062 4.146 0.000) 13.704 5.207 ( -11.096 0.085 0.000) 11.097 5.720 ( 9.356 1.864 0.000) 9.540 5.828 ( -20.327 9.283 0.000) 22.347 5.980 ( -19.665 -10.782 0.000) 22.426 6.766 ( -16.515 -8.889 0.000) 18.756 6.823 ( -20.510 2.329 0.000) 20.641 6.928 ( -13.597 -1.971 0.000) 13.739 7.441 ( -12.169 1.113 0.000) 12.219 8.016 ( -26.075 1.285 0.000) 26.107 8.332 ( -9.936 5.605 0.000) 11.408 8.493 ( -6.089 -6.123 0.000) 8.636 9.018 ( 7.626 0.162 0.000) 7.627 9.749 ( 1.990 0.538 0.000) 2.062 10.206 ( 26.086 1.263 0.000) 26.117 10.292 ( 11.728 1.463 0.000) 11.819 10.335 ( 10.362 0.359 0.000) 10.369 11.072 ( 11.707 -0.064 0.000) 11.707 11.529 ( 6.162 -0.592 0.000) 6.191 11.947 ( 5.312 4.147 0.000) 6.739 12.005 ( 9.715 -3.657 0.000) 10.381 12.231 ( 24.043 1.705 0.000) 24.103 12.574 ( -3.894 1.226 0.000) 4.083 12.891 ( 21.174 0.173 0.000) 21.175 13.178 ( 37.241 7.085 0.000) 37.909 13.927 ( -16.058 -8.489 0.000) 18.164 13.941 ( 15.143 -0.486 0.000) 15.151 14.406 ( -12.006 -3.212 0.000) 12.429 16.472 ( -14.618 0.336 0.000) 14.621 16.538 ( -14.609 -3.358 0.000) 14.990 17.017 ( 0.853 1.019 0.000) 1.329 17.652 ( -2.709 1.371 0.000) 3.036 18.914 ( -6.883 0.384 0.000) 6.893 19.138 ( -5.595 0.484 0.000) 5.615 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -4.287 -0.090 0.000) 4.288 1.719 ( 2.673 -0.408 0.000) 2.704 1.969 ( -9.582 -0.047 0.000) 9.582 2.155 ( -11.284 1.265 0.000) 11.354 2.678 ( -21.683 2.567 0.000) 21.835 2.743 ( -22.163 6.977 0.000) 23.235 2.776 ( -11.572 8.730 0.000) 14.496 3.087 ( -10.189 -13.057 0.000) 16.562 3.350 ( 0.280 2.118 0.000) 2.137 3.425 ( -4.545 0.302 0.000) 4.555 3.603 ( -7.139 5.910 0.000) 9.268 4.010 ( -7.345 4.457 0.000) 8.592 4.146 ( -11.824 -3.039 0.000) 12.208 4.427 ( -13.516 12.813 0.000) 18.624 4.802 ( 3.273 -0.778 0.000) 3.364 5.022 ( -10.641 -2.877 0.000) 11.024 5.409 ( -18.115 6.052 0.000) 19.099 5.685 ( -19.330 -16.187 0.000) 25.213 5.698 ( -12.398 3.462 0.000) 12.872 6.524 ( -6.601 1.008 0.000) 6.677 6.579 ( -11.428 -14.529 0.000) 18.485 6.681 ( -11.966 0.788 0.000) 11.992 7.122 ( -19.267 0.706 0.000) 19.280 7.447 ( -31.173 2.062 0.000) 31.241 8.112 ( -8.188 7.639 0.000) 11.198 8.465 ( -2.074 -8.134 0.000) 8.394 9.211 ( 11.694 -0.213 0.000) 11.696 9.797 ( 3.453 0.959 0.000) 3.584 10.543 ( 15.370 2.656 0.000) 15.598 10.575 ( 15.378 1.960 0.000) 15.503 10.632 ( 18.133 1.390 0.000) 18.186 11.198 ( 2.710 0.377 0.000) 2.736 11.707 ( 11.925 -1.023 0.000) 11.968 11.970 ( 2.081 0.889 0.000) 2.263 12.332 ( 19.728 2.058 0.000) 19.835 12.628 ( 13.620 4.307 0.000) 14.285 12.630 ( 11.301 2.626 0.000) 11.603 13.106 ( -0.288 0.988 0.000) 1.029 13.647 ( 19.544 12.241 0.000) 23.061 14.089 ( 22.210 -14.689 0.000) 26.628 14.200 ( 11.354 -0.600 0.000) 11.370 14.237 ( -1.749 -9.660 0.000) 9.817 16.142 ( -19.657 1.123 0.000) 19.689 16.256 ( -18.787 -10.285 0.000) 21.418 17.006 ( -1.485 1.853 0.000) 2.375 17.505 ( -12.243 1.233 0.000) 12.305 18.781 ( -5.898 1.448 0.000) 6.073 18.993 ( -8.543 2.144 0.000) 8.808 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -2.765 2.560 0.000) 3.768 1.762 ( -13.258 0.610 0.000) 13.272 1.768 ( -0.723 -0.787 0.000) 1.069 1.887 ( -14.517 6.201 0.000) 15.786 2.223 ( -26.541 -1.755 0.000) 26.599 2.233 ( -18.139 6.059 0.000) 19.124 2.606 ( -3.394 2.750 0.000) 4.368 3.037 ( -3.600 -13.991 0.000) 14.447 3.289 ( -4.098 10.392 0.000) 11.171 3.375 ( -0.998 0.730 0.000) 1.236 3.400 ( -8.742 3.802 0.000) 9.533 3.770 ( -6.523 23.978 0.000) 24.849 3.893 ( -16.656 -5.217 0.000) 17.454 4.208 ( 0.120 13.356 0.000) 13.357 4.802 ( -14.077 -1.590 0.000) 14.166 4.879 ( 3.362 -1.908 0.000) 3.866 5.057 ( -15.478 3.043 0.000) 15.774 5.282 ( -25.122 1.431 0.000) 25.162 5.515 ( -11.980 -25.042 0.000) 27.760 6.423 ( -6.905 5.754 0.000) 8.988 6.431 ( -14.735 -6.060 0.000) 15.932 6.562 ( 2.245 1.098 0.000) 2.499 6.730 ( -24.808 2.411 0.000) 24.925 6.945 ( -15.388 -12.439 0.000) 19.787 7.926 ( -5.529 8.590 0.000) 10.215 8.504 ( 0.100 -7.807 0.000) 7.807 9.429 ( 9.983 -0.709 0.000) 10.008 9.860 ( 3.564 0.822 0.000) 3.657 10.787 ( 5.395 3.002 0.000) 6.174 10.811 ( 13.934 3.422 0.000) 14.349 10.938 ( 16.860 0.097 0.000) 16.860 11.232 ( 3.001 2.873 0.000) 4.154 11.996 ( 17.384 -1.275 0.000) 17.430 12.040 ( 5.989 0.071 0.000) 5.990 12.447 ( -25.326 -1.884 0.000) 25.396 12.657 ( 16.372 8.483 0.000) 18.439 12.940 ( 21.496 2.785 0.000) 21.676 13.191 ( 8.886 5.263 0.000) 10.327 13.758 ( -6.114 -0.698 0.000) 6.153 14.373 ( 6.266 -0.372 0.000) 6.277 14.414 ( 26.549 -12.283 0.000) 29.253 14.901 ( 41.249 -1.223 0.000) 41.267 15.719 ( -23.388 0.563 0.000) 23.395 15.990 ( -18.103 -18.905 0.000) 26.175 16.913 ( -7.486 3.360 0.000) 8.205 17.166 ( -22.547 -1.079 0.000) 22.573 18.688 ( -2.369 2.004 0.000) 3.103 18.798 ( -8.851 5.012 0.000) 10.171 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -33.312 8.682 0.000) 34.425 1.414 ( -14.862 10.572 0.000) 18.238 1.547 ( -1.937 3.726 0.000) 4.200 1.831 ( -2.426 -2.332 0.000) 3.365 1.929 ( -6.146 -3.922 0.000) 7.291 1.974 ( -6.895 2.360 0.000) 7.287 2.602 ( 2.562 -1.644 0.000) 3.044 3.092 ( -5.404 10.951 0.000) 12.212 3.140 ( 4.847 -12.316 0.000) 13.235 3.220 ( -6.358 13.489 0.000) 14.912 3.365 ( -0.397 -1.497 0.000) 1.549 3.514 ( 0.032 33.799 0.000) 33.799 3.614 ( -15.969 -7.464 0.000) 17.627 4.210 ( 8.092 13.977 0.000) 16.151 4.547 ( -12.095 -1.829 0.000) 12.232 4.791 ( -11.552 -2.122 0.000) 11.746 4.836 ( -18.269 -0.245 0.000) 18.270 4.949 ( 1.516 -2.952 0.000) 3.318 5.549 ( -3.771 -28.496 0.000) 28.744 6.134 ( -14.865 2.690 0.000) 15.106 6.246 ( -18.149 4.587 0.000) 18.720 6.266 ( -4.296 6.842 0.000) 8.079 6.608 ( 3.008 4.353 0.000) 5.291 6.961 ( -1.710 -23.641 0.000) 23.703 7.794 ( -2.583 7.299 0.000) 7.743 8.559 ( 0.420 -6.667 0.000) 6.680 9.582 ( 5.168 -1.138 0.000) 5.292 9.914 ( 2.299 0.323 0.000) 2.322 10.796 ( -0.944 1.264 0.000) 1.578 11.003 ( 8.351 3.673 0.000) 9.124 11.211 ( 10.343 1.819 0.000) 10.501 11.270 ( 3.370 5.049 0.000) 6.071 11.931 ( -25.512 -2.959 0.000) 25.683 12.201 ( 9.913 0.175 0.000) 9.914 12.392 ( 21.132 -1.937 0.000) 21.220 12.802 ( 6.728 15.664 0.000) 17.048 13.165 ( -8.683 6.202 0.000) 10.671 13.343 ( 19.811 0.906 0.000) 19.831 13.683 ( -3.255 -11.183 0.000) 11.648 14.443 ( 1.065 -0.773 0.000) 1.316 15.118 ( 37.529 -5.793 0.000) 37.973 15.284 ( -19.756 1.555 0.000) 19.817 15.657 ( 37.077 2.248 0.000) 37.145 15.861 ( -10.838 -28.613 0.000) 30.597 16.563 ( -28.461 2.561 0.000) 28.576 16.763 ( -18.876 -0.712 0.000) 18.889 18.592 ( -5.704 8.840 0.000) 10.520 18.684 ( 0.755 0.127 0.000) 0.766 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -0.000 11.584 0.000) 11.584 1.152 ( -0.000 15.790 0.000) 15.790 1.501 ( -0.000 5.703 0.000) 5.703 1.791 ( 0.000 -3.120 0.000) 3.120 1.899 ( -0.000 1.583 0.000) 1.583 1.925 ( 0.000 -2.087 0.000) 2.087 2.662 ( 0.000 -4.205 0.000) 4.205 2.952 ( -0.000 39.247 0.000) 39.247 3.026 ( 0.000 -0.272 0.000) 0.272 3.308 ( -0.000 29.411 0.000) 29.411 3.308 ( -0.000 0.113 0.000) 0.113 3.385 ( 0.000 -12.033 0.000) 12.033 3.465 ( 0.000 -11.847 0.000) 11.847 4.227 ( -0.000 16.371 0.000) 16.371 4.438 ( 0.000 -6.849 0.000) 6.849 4.651 ( 0.000 -1.170 0.000) 1.170 4.694 ( 0.000 -6.281 0.000) 6.281 4.987 ( 0.000 -3.170 0.000) 3.170 5.714 ( 0.000 -27.899 0.000) 27.899 5.923 ( -0.000 6.987 0.000) 6.987 6.051 ( -0.000 4.163 0.000) 4.163 6.176 ( -0.000 7.654 0.000) 7.654 6.602 ( -0.000 6.191 0.000) 6.191 7.097 ( 0.000 -20.528 0.000) 20.528 7.738 ( -0.000 2.377 0.000) 2.377 8.603 ( 0.000 -5.649 0.000) 5.649 9.640 ( 0.000 -1.616 0.000) 1.616 9.937 ( 0.000 -0.059 0.000) 0.059 10.777 ( -0.000 0.844 0.000) 0.844 11.069 ( -0.000 3.333 0.000) 3.333 11.254 ( -0.000 5.706 0.000) 5.706 11.306 ( -0.000 3.517 0.000) 3.517 11.650 ( -0.000 0.453 0.000) 0.453 12.319 ( -0.000 0.655 0.000) 0.655 12.729 ( 0.000 -0.705 0.000) 0.705 12.736 ( -0.000 18.228 0.000) 18.228 12.932 ( -0.000 0.418 0.000) 0.418 13.565 ( 0.000 -0.557 0.000) 0.557 13.736 ( 0.000 -11.349 0.000) 11.349 14.454 ( 0.000 -1.461 0.000) 1.461 15.049 ( -0.000 3.313 0.000) 3.313 15.753 ( 0.000 -3.343 0.000) 3.343 15.969 ( 0.000 -34.107 0.000) 34.107 16.024 ( -0.000 0.124 0.000) 0.124 16.181 ( 0.000 -0.039 0.000) 0.039 16.412 ( -0.000 4.321 0.000) 4.321 18.460 ( -0.000 12.422 0.000) 12.422 18.713 ( 0.000 -2.434 0.000) 2.434 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -3.910 -0.000 0.000) 3.910 1.716 ( 2.532 0.000 0.000) 2.532 1.969 ( -9.931 -0.000 0.000) 9.931 2.163 ( -10.820 -0.000 0.000) 10.820 2.691 ( -19.994 -0.000 0.000) 19.994 2.791 ( -25.025 -0.000 0.000) 25.025 2.917 ( -13.526 -0.000 0.000) 13.526 2.921 ( -10.539 -0.000 0.000) 10.539 3.364 ( 0.883 0.000 0.000) 0.883 3.426 ( -3.949 -0.000 0.000) 3.949 3.638 ( -7.011 -0.000 0.000) 7.011 4.042 ( -2.699 -0.000 0.000) 2.699 4.126 ( -11.940 -0.000 0.000) 11.940 4.518 ( -13.003 -0.000 0.000) 13.003 4.797 ( 2.984 0.000 0.000) 2.984 5.011 ( -9.572 -0.000 0.000) 9.572 5.469 ( -19.374 -0.000 0.000) 19.374 5.556 ( -20.957 -0.000 0.000) 20.957 5.721 ( -13.256 -0.000 0.000) 13.256 6.470 ( -10.907 -0.000 0.000) 10.907 6.531 ( -5.762 -0.000 0.000) 5.762 6.687 ( -11.710 -0.000 0.000) 11.710 7.129 ( -20.008 -0.000 0.000) 20.008 7.461 ( -31.692 -0.000 0.000) 31.692 8.176 ( -8.370 -0.000 0.000) 8.370 8.397 ( -1.522 -0.000 0.000) 1.522 9.210 ( 11.560 0.000 0.000) 11.560 9.803 ( 3.360 0.000 0.000) 3.360 10.561 ( 15.271 0.000 0.000) 15.271 10.589 ( 16.028 0.000 0.000) 16.028 10.640 ( 17.161 0.000 0.000) 17.161 11.201 ( 3.168 0.000 0.000) 3.168 11.700 ( 11.986 0.000 0.000) 11.986 11.977 ( 1.517 0.000 0.000) 1.517 12.346 ( 21.066 0.000 0.000) 21.066 12.649 ( 11.486 0.000 0.000) 11.486 12.658 ( 13.220 0.000 0.000) 13.220 13.112 ( -1.078 -0.000 0.000) 1.078 13.766 ( 12.671 0.000 0.000) 12.671 13.954 ( 27.425 0.000 0.000) 27.425 14.171 ( 0.756 0.000 0.000) 0.756 14.196 ( 11.479 0.000 0.000) 11.479 16.165 ( -17.748 -0.000 0.000) 17.748 16.171 ( -22.023 -0.000 0.000) 22.023 17.018 ( -1.463 -0.000 0.000) 1.463 17.513 ( -12.861 -0.000 0.000) 12.861 18.790 ( -5.799 -0.000 0.000) 5.799 19.007 ( -8.119 -0.000 0.000) 8.119 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -1.473 0.650 0.000) 1.611 1.760 ( 0.617 -0.335 0.000) 0.702 1.766 ( -11.648 0.121 0.000) 11.649 1.947 ( -11.284 2.465 0.000) 11.551 2.204 ( -33.387 -0.907 0.000) 33.399 2.291 ( -19.162 2.283 0.000) 19.297 2.688 ( -4.229 9.622 0.000) 10.511 2.849 ( -3.992 -13.728 0.000) 14.297 3.378 ( -0.051 3.548 0.000) 3.549 3.383 ( -1.160 0.357 0.000) 1.214 3.423 ( -12.968 0.234 0.000) 12.970 3.849 ( -16.742 -1.626 0.000) 16.820 4.012 ( 1.958 9.892 0.000) 10.084 4.350 ( -1.312 6.922 0.000) 7.045 4.821 ( -10.220 4.164 0.000) 11.036 4.861 ( 3.099 -0.712 0.000) 3.179 5.126 ( -14.970 4.759 0.000) 15.708 5.213 ( -18.345 -17.168 0.000) 25.125 5.294 ( -26.455 0.438 0.000) 26.459 6.328 ( -8.297 -6.492 0.000) 10.535 6.481 ( -8.002 2.640 0.000) 8.426 6.566 ( 4.831 -0.171 0.000) 4.834 6.744 ( -18.830 0.166 0.000) 18.830 6.857 ( -29.239 -2.136 0.000) 29.317 8.026 ( -5.393 5.134 0.000) 7.446 8.413 ( 0.782 -4.721 0.000) 4.785 9.423 ( 9.910 -0.215 0.000) 9.913 9.868 ( 3.304 0.328 0.000) 3.320 10.819 ( 3.257 1.502 0.000) 3.587 10.842 ( 13.689 1.188 0.000) 13.740 10.931 ( 18.097 -0.590 0.000) 18.106 11.258 ( 3.970 1.047 0.000) 4.105 11.985 ( 17.643 -0.391 0.000) 17.648 12.041 ( 5.766 0.040 0.000) 5.766 12.432 ( -27.849 -0.578 0.000) 27.855 12.732 ( 18.997 2.755 0.000) 19.195 12.974 ( 21.191 1.759 0.000) 21.264 13.244 ( 12.225 2.236 0.000) 12.428 13.750 ( -17.978 -0.450 0.000) 17.984 14.301 ( 34.833 -4.494 0.000) 35.122 14.370 ( 6.421 -0.137 0.000) 6.422 14.892 ( 44.202 -0.304 0.000) 44.203 15.713 ( -25.042 -1.366 0.000) 25.079 15.825 ( -19.291 -5.551 0.000) 20.073 16.945 ( -6.465 1.264 0.000) 6.588 17.156 ( -24.285 -0.401 0.000) 24.288 18.704 ( -2.943 0.528 0.000) 2.990 18.842 ( -8.125 1.673 0.000) 8.295 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -33.658 5.674 0.000) 34.133 1.512 ( -12.491 4.414 0.000) 13.247 1.592 ( 0.203 2.723 0.000) 2.731 1.801 ( -5.521 -2.040 0.000) 5.886 1.886 ( -1.914 -2.282 0.000) 2.978 2.004 ( -8.715 1.909 0.000) 8.921 2.623 ( 1.827 5.134 0.000) 5.449 2.947 ( 3.486 -15.388 0.000) 15.778 3.139 ( -11.389 1.017 0.000) 11.435 3.361 ( -1.434 0.223 0.000) 1.451 3.379 ( 0.965 7.827 0.000) 7.886 3.552 ( -14.283 -2.572 0.000) 14.512 3.959 ( 5.177 29.217 0.000) 29.672 4.351 ( 4.611 7.889 0.000) 9.137 4.571 ( -9.244 4.710 0.000) 10.375 4.824 ( -12.398 7.043 0.000) 14.259 4.833 ( -19.275 -0.207 0.000) 19.276 4.917 ( 1.620 -1.767 0.000) 2.397 5.144 ( -6.987 -31.391 0.000) 32.159 6.153 ( -11.282 -0.094 0.000) 11.282 6.301 ( -19.491 3.797 0.000) 19.858 6.339 ( -4.305 3.965 0.000) 5.852 6.651 ( 3.777 2.185 0.000) 4.363 6.660 ( -4.261 -19.479 0.000) 19.939 7.906 ( -2.573 8.169 0.000) 8.565 8.468 ( 0.813 -6.389 0.000) 6.440 9.571 ( 5.160 -0.480 0.000) 5.182 9.918 ( 2.037 0.275 0.000) 2.056 10.811 ( -1.478 0.860 0.000) 1.710 11.040 ( 7.788 1.884 0.000) 8.013 11.227 ( 11.071 0.616 0.000) 11.088 11.320 ( 3.116 2.498 0.000) 3.994 11.906 ( -23.794 -1.116 0.000) 23.820 12.202 ( 10.247 0.104 0.000) 10.247 12.373 ( 21.743 -0.905 0.000) 21.762 12.979 ( 9.997 10.105 0.000) 14.215 13.257 ( -13.068 7.451 0.000) 15.043 13.358 ( 18.321 1.361 0.000) 18.372 13.538 ( -2.132 -10.316 0.000) 10.534 14.433 ( 0.137 -0.690 0.000) 0.703 15.060 ( 40.269 -2.912 0.000) 40.374 15.288 ( -18.888 -1.381 0.000) 18.939 15.561 ( -13.460 -15.258 0.000) 20.346 15.680 ( 37.337 1.212 0.000) 37.357 16.588 ( -32.046 1.118 0.000) 32.066 16.760 ( -15.228 0.025 0.000) 15.228 18.665 ( -1.690 1.431 0.000) 2.215 18.697 ( -4.045 2.732 0.000) 4.881 ======================= Grid point 75 (47/147) ======================= 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -0.000 8.102 0.000) 8.102 1.322 ( -0.000 9.718 0.000) 9.718 1.571 ( -0.000 4.653 0.000) 4.653 1.750 ( 0.000 -2.803 0.000) 2.803 1.899 ( 0.000 -1.634 0.000) 1.634 1.917 ( -0.000 1.114 0.000) 1.114 2.636 ( -0.000 0.997 0.000) 0.997 3.023 ( 0.000 -0.201 0.000) 0.201 3.134 ( 0.000 -19.948 0.000) 19.948 3.309 ( -0.000 16.151 0.000) 16.151 3.310 ( -0.000 0.091 0.000) 0.091 3.422 ( 0.000 -0.527 0.000) 0.527 3.778 ( -0.000 39.647 0.000) 39.647 4.363 ( 0.000 -4.411 0.000) 4.411 4.485 ( -0.000 21.423 0.000) 21.423 4.623 ( 0.000 -4.220 0.000) 4.220 4.637 ( 0.000 -0.840 0.000) 0.840 4.948 ( 0.000 -2.505 0.000) 2.505 5.304 ( 0.000 -33.421 0.000) 33.421 6.001 ( -0.000 4.694 0.000) 4.694 6.096 ( -0.000 2.518 0.000) 2.518 6.266 ( -0.000 5.602 0.000) 5.602 6.668 ( -0.000 3.782 0.000) 3.782 6.783 ( 0.000 -24.889 0.000) 24.889 7.823 ( -0.000 8.864 0.000) 8.864 8.520 ( 0.000 -6.718 0.000) 6.718 9.625 ( 0.000 -0.777 0.000) 0.777 9.937 ( -0.000 0.133 0.000) 0.133 10.788 ( -0.000 0.822 0.000) 0.822 11.105 ( -0.000 2.107 0.000) 2.107 11.312 ( -0.000 3.008 0.000) 3.008 11.342 ( -0.000 2.102 0.000) 2.102 11.655 ( -0.000 0.325 0.000) 0.325 12.327 ( -0.000 0.468 0.000) 0.468 12.721 ( 0.000 -0.505 0.000) 0.505 12.949 ( -0.000 1.910 0.000) 1.910 12.973 ( -0.000 16.615 0.000) 16.615 13.558 ( 0.000 -0.399 0.000) 0.399 13.601 ( 0.000 -8.704 0.000) 8.704 14.431 ( 0.000 -2.106 0.000) 2.106 15.084 ( -0.000 1.794 0.000) 1.794 15.567 ( 0.000 -25.279 0.000) 25.279 15.712 ( 0.000 -2.581 0.000) 2.581 16.026 ( -0.000 0.089 0.000) 0.089 16.181 ( 0.000 -0.029 0.000) 0.029 16.465 ( -0.000 3.395 0.000) 3.395 18.592 ( -0.000 7.493 0.000) 7.493 18.684 ( 0.000 -1.780 0.000) 1.780 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -34.242 -0.000 0.000) 34.242 1.540 ( -11.112 -0.000 0.000) 11.112 1.611 ( 0.648 0.000 0.000) 0.648 1.786 ( -6.725 -0.000 0.000) 6.725 1.871 ( 0.118 0.000 0.000) 0.118 2.018 ( -9.621 -0.000 0.000) 9.621 2.709 ( 0.952 0.000 0.000) 0.952 2.790 ( 3.299 0.000 0.000) 3.299 3.145 ( -12.142 -0.000 0.000) 12.142 3.363 ( -1.719 -0.000 0.000) 1.719 3.429 ( 1.955 0.000 0.000) 1.955 3.536 ( -13.452 -0.000 0.000) 13.452 4.160 ( 8.825 0.000 0.000) 8.825 4.437 ( 6.747 0.000 0.000) 6.747 4.703 ( -6.216 -0.000 0.000) 6.216 4.765 ( -18.689 -0.000 0.000) 18.689 4.831 ( -19.661 -0.000 0.000) 19.661 4.905 ( 1.706 0.000 0.000) 1.706 4.917 ( -8.773 -0.000 0.000) 8.773 6.145 ( -8.647 -0.000 0.000) 8.647 6.335 ( -21.091 -0.000 0.000) 21.091 6.366 ( -4.346 -0.000 0.000) 4.346 6.514 ( -5.932 -0.000 0.000) 5.932 6.666 ( 4.072 0.000 0.000) 4.072 7.969 ( -2.503 -0.000 0.000) 2.503 8.418 ( 1.055 0.000 0.000) 1.055 9.568 ( 5.163 0.000 0.000) 5.163 9.920 ( 1.942 0.000 0.000) 1.942 10.817 ( -1.684 -0.000 0.000) 1.684 11.053 ( 7.583 0.000 0.000) 7.583 11.230 ( 11.364 0.000 0.000) 11.364 11.336 ( 3.012 0.000 0.000) 3.012 11.899 ( -23.305 -0.000 0.000) 23.305 12.203 ( 10.359 0.000 0.000) 10.359 12.367 ( 21.980 0.000 0.000) 21.980 13.048 ( 11.910 0.000 0.000) 11.910 13.333 ( -22.912 -0.000 0.000) 22.912 13.370 ( 17.410 0.000 0.000) 17.410 13.443 ( 6.684 0.000 0.000) 6.684 14.428 ( -0.486 -0.000 0.000) 0.486 15.041 ( 41.124 0.000 0.000) 41.124 15.267 ( -18.058 -0.000 0.000) 18.058 15.468 ( -14.991 -0.000 0.000) 14.991 15.688 ( 37.386 0.000 0.000) 37.386 16.595 ( -33.434 -0.000 0.000) 33.434 16.760 ( -13.808 -0.000 0.000) 13.808 18.669 ( -1.095 -0.000 0.000) 1.095 18.721 ( -4.871 -0.000 0.000) 4.871 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 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 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -0.000 3.003 0.000) 3.003 1.407 ( -0.000 3.241 0.000) 3.241 1.614 ( -0.000 1.690 0.000) 1.690 1.722 ( 0.000 -1.197 0.000) 1.197 1.884 ( 0.000 -0.599 0.000) 0.599 1.927 ( -0.000 0.400 0.000) 0.400 2.698 ( -0.000 7.825 0.000) 7.825 2.897 ( 0.000 -14.673 0.000) 14.673 3.021 ( 0.000 -0.075 0.000) 0.075 3.311 ( -0.000 0.035 0.000) 0.035 3.420 ( -0.000 0.006 0.000) 0.006 3.436 ( -0.000 4.355 0.000) 4.355 4.299 ( -0.000 38.033 0.000) 38.033 4.324 ( 0.000 -1.515 0.000) 1.515 4.585 ( 0.000 -1.487 0.000) 1.487 4.629 ( 0.000 -0.305 0.000) 0.305 4.697 ( 0.000 -0.882 0.000) 0.882 4.875 ( 0.000 -22.801 0.000) 22.801 4.925 ( 0.000 -0.932 0.000) 0.932 6.044 ( -0.000 1.697 0.000) 1.697 6.117 ( -0.000 0.790 0.000) 0.790 6.318 ( -0.000 2.027 0.000) 2.027 6.512 ( 0.000 -12.819 0.000) 12.819 6.702 ( -0.000 1.289 0.000) 1.289 7.928 ( -0.000 5.203 0.000) 5.203 8.443 ( 0.000 -3.900 0.000) 3.900 9.618 ( 0.000 -0.223 0.000) 0.223 9.939 ( -0.000 0.079 0.000) 0.079 10.796 ( -0.000 0.347 0.000) 0.347 11.124 ( -0.000 0.711 0.000) 0.711 11.335 ( -0.000 0.709 0.000) 0.709 11.363 ( -0.000 0.884 0.000) 0.884 11.658 ( -0.000 0.118 0.000) 0.118 12.331 ( -0.000 0.170 0.000) 0.170 12.716 ( 0.000 -0.183 0.000) 0.183 12.973 ( -0.000 1.203 0.000) 1.203 13.141 ( -0.000 7.326 0.000) 7.326 13.517 ( 0.000 -3.486 0.000) 3.486 13.555 ( 0.000 -0.145 0.000) 0.145 14.404 ( 0.000 -1.435 0.000) 1.435 15.092 ( 0.000 -0.293 0.000) 0.293 15.337 ( 0.000 -8.676 0.000) 8.676 15.688 ( 0.000 -0.951 0.000) 0.951 16.026 ( -0.000 0.032 0.000) 0.032 16.181 ( 0.000 -0.011 0.000) 0.011 16.497 ( -0.000 1.265 0.000) 1.265 18.655 ( -0.000 1.667 0.000) 1.667 18.671 ( -0.000 0.151 0.000) 0.151 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 0.000 0.000 23.072) 23.072 0.784 ( 0.000 0.000 34.480) 34.480 1.216 ( 0.000 0.000 24.262) 24.262 1.517 ( 0.000 0.000 18.402) 18.402 1.758 ( 0.000 0.000 -7.775) 7.775 1.941 ( 0.000 0.000 5.416) 5.416 2.017 ( 0.000 0.000 -1.557) 1.557 2.290 ( 0.000 0.000 -1.047) 1.047 2.595 ( 0.000 0.000 -24.631) 24.631 3.217 ( 0.000 0.000 15.066) 15.066 3.370 ( 0.000 0.000 -7.391) 7.391 3.702 ( 0.000 0.000 21.385) 21.385 3.827 ( 0.000 0.000 16.425) 16.425 3.950 ( 0.000 0.000 -26.610) 26.610 4.483 ( 0.000 0.000 -13.917) 13.917 4.892 ( 0.000 0.000 4.275) 4.275 4.983 ( 0.000 0.000 -0.754) 0.754 5.184 ( 0.000 0.000 6.834) 6.834 5.219 ( 0.000 0.000 -36.912) 36.912 5.616 ( 0.000 0.000 4.084) 4.084 5.804 ( 0.000 0.000 -2.897) 2.897 5.885 ( 0.000 0.000 -13.095) 13.095 7.064 ( 0.000 0.000 33.921) 33.921 7.738 ( 0.000 0.000 -2.955) 2.955 7.938 ( 0.000 0.000 10.868) 10.868 8.660 ( 0.000 0.000 -13.108) 13.108 9.805 ( 0.000 0.000 2.349) 2.349 9.934 ( 0.000 0.000 -2.333) 2.333 10.769 ( 0.000 0.000 0.592) 0.592 10.836 ( 0.000 0.000 -1.613) 1.613 11.161 ( 0.000 0.000 6.770) 6.770 11.557 ( 0.000 0.000 -8.153) 8.153 11.692 ( 0.000 0.000 5.440) 5.440 12.111 ( 0.000 0.000 -12.149) 12.149 12.961 ( 0.000 0.000 14.142) 14.142 13.058 ( 0.000 0.000 2.860) 2.860 13.203 ( 0.000 0.000 -2.447) 2.447 13.500 ( 0.000 0.000 -7.790) 7.790 14.262 ( 0.000 0.000 3.743) 3.743 14.451 ( 0.000 0.000 -3.402) 3.402 15.023 ( 0.000 0.000 12.556) 12.556 15.734 ( 0.000 0.000 -13.484) 13.484 16.046 ( 0.000 0.000 2.275) 2.275 16.161 ( 0.000 0.000 -1.926) 1.926 17.196 ( 0.000 0.000 1.775) 1.775 17.474 ( 0.000 0.000 10.484) 10.484 17.498 ( 0.000 0.000 -7.860) 7.860 17.768 ( 0.000 0.000 -1.800) 1.800 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 6.998 -23.295 16.214) 29.233 0.994 ( 19.333 -2.558 24.632) 31.417 1.279 ( 4.019 -4.341 -3.420) 6.833 1.673 ( 19.218 -2.720 28.390) 34.391 1.808 ( 4.031 -1.012 -6.292) 7.541 2.003 ( 0.296 1.824 -0.442) 1.900 2.137 ( 5.728 -3.969 -13.696) 15.367 2.453 ( 19.873 4.224 11.545) 23.368 2.587 ( 0.144 -0.709 -25.785) 25.795 3.207 ( 1.484 2.393 17.302) 17.530 3.354 ( -3.933 -7.344 -4.492) 9.464 3.683 ( 0.902 1.702 14.142) 14.273 3.807 ( -0.276 1.131 15.489) 15.533 4.176 ( 18.810 3.713 -17.219) 25.770 4.581 ( 9.101 -0.523 -12.214) 15.240 4.996 ( 11.367 2.729 4.191) 12.418 5.080 ( 7.545 2.150 0.468) 7.859 5.202 ( 4.433 0.115 9.049) 10.077 5.248 ( 4.378 1.407 -40.093) 40.356 5.776 ( 12.123 -3.114 -2.945) 12.859 5.932 ( 12.060 -2.642 -2.541) 12.605 5.976 ( 8.865 -3.005 -10.651) 14.180 7.131 ( 6.815 -0.054 33.070) 33.765 7.712 ( 0.133 6.698 -0.457) 6.715 7.936 ( -1.173 -2.123 8.519) 8.857 8.634 ( -1.461 1.655 -13.276) 13.459 9.749 ( -5.357 1.452 2.773) 6.204 9.889 ( -3.920 0.669 -2.532) 4.715 10.710 ( -7.120 -2.519 0.400) 7.563 10.774 ( -7.987 -2.838 -0.155) 8.477 11.046 ( -10.819 1.096 5.732) 12.293 11.118 ( -15.783 -2.320 7.254) 17.524 11.965 ( 6.627 -0.227 -10.863) 12.727 12.044 ( -5.920 -0.472 -10.555) 12.111 12.758 ( -18.372 1.590 13.342) 22.761 12.982 ( -8.403 0.422 3.389) 9.070 13.083 ( -4.553 11.553 0.421) 12.425 13.249 ( -22.284 -0.145 -6.616) 23.246 14.169 ( -9.407 0.477 6.019) 11.178 14.427 ( -2.653 0.301 -3.915) 4.739 15.218 ( 14.670 -0.761 6.898) 16.229 15.579 ( -10.404 6.864 -4.006) 13.092 15.767 ( -13.482 0.435 15.064) 20.221 16.297 ( 12.117 1.107 -11.654) 16.848 17.293 ( 19.149 26.436 6.370) 33.258 17.359 ( 4.726 20.315 7.011) 22.004 17.829 ( -0.619 -25.447 -0.260) 25.456 17.918 ( 12.909 -23.543 -8.795) 28.253 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 13.444 -25.893 8.218) 30.311 1.323 ( 11.084 -5.025 2.812) 12.491 1.614 ( 26.024 -4.063 0.126) 26.340 1.827 ( 0.353 1.417 -3.345) 3.649 2.051 ( 5.378 0.794 2.229) 5.875 2.069 ( 15.482 -3.205 6.092) 16.943 2.253 ( 5.002 -7.858 -12.736) 15.779 2.654 ( 6.889 -1.676 -24.995) 25.981 2.849 ( 18.599 0.741 14.168) 23.392 3.262 ( 3.605 0.964 8.099) 8.918 3.420 ( 10.726 -6.880 13.235) 18.373 3.696 ( 3.265 7.092 10.074) 12.745 3.836 ( 3.492 -1.752 15.034) 15.533 4.472 ( 15.150 10.309 -5.555) 19.148 4.816 ( 11.800 -6.972 -11.246) 17.729 5.101 ( -1.618 -0.008 8.925) 9.071 5.249 ( 16.976 6.950 1.310) 18.390 5.364 ( 10.566 1.478 -34.742) 36.344 5.491 ( 22.145 4.502 -3.505) 22.868 6.034 ( 12.455 -2.843 -12.290) 17.727 6.244 ( 18.884 -3.045 -1.211) 19.166 6.322 ( 22.658 -8.223 -1.812) 24.172 7.299 ( 10.947 4.658 30.180) 32.440 7.695 ( 3.982 5.739 1.809) 7.216 7.912 ( -1.858 0.771 6.621) 6.919 8.607 ( 0.027 1.033 -13.148) 13.189 9.586 ( -10.221 2.058 4.167) 11.228 9.789 ( -5.985 0.467 -3.618) 7.009 10.531 ( -13.438 -3.487 0.200) 13.885 10.580 ( -14.262 -4.788 0.572) 15.055 10.803 ( -14.880 -2.056 4.218) 15.602 10.996 ( -0.541 -1.206 -5.262) 5.425 11.905 ( -6.522 0.910 -5.840) 8.802 12.027 ( -0.799 -2.259 -9.840) 10.127 12.357 ( -20.113 1.439 11.378) 23.153 12.732 ( -18.468 -1.390 0.936) 18.544 12.794 ( -22.073 -0.830 -2.473) 22.226 12.907 ( -11.801 -2.459 -1.327) 12.127 13.917 ( -16.201 0.137 9.853) 18.962 14.332 ( -7.321 0.169 -5.983) 9.456 15.286 ( -4.292 9.789 2.027) 10.879 15.333 ( -8.922 11.614 -0.417) 14.651 15.822 ( 18.025 1.245 14.296) 23.040 16.536 ( 12.360 0.734 -15.176) 19.586 17.315 ( 2.429 14.191 6.918) 15.973 17.416 ( 6.247 11.929 3.054) 13.808 18.120 ( 13.458 -19.674 2.664) 23.985 18.289 ( 15.196 -9.942 -4.037) 18.603 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 13.169 -18.117 1.637) 22.457 1.563 ( 10.904 -3.580 -2.253) 11.696 1.846 ( 3.759 -2.834 2.975) 5.569 2.050 ( 11.583 1.734 -0.133) 11.713 2.253 ( 18.485 -7.184 0.042) 19.832 2.324 ( 10.563 -2.125 -1.040) 10.825 2.462 ( 11.083 -9.112 -10.059) 17.523 2.855 ( 12.176 0.057 -15.778) 19.930 3.125 ( 10.922 -6.991 5.507) 14.089 3.306 ( 1.325 -1.540 1.221) 2.371 3.706 ( 6.732 7.007 6.540) 11.713 3.847 ( 20.083 -1.030 15.296) 25.266 3.986 ( 13.402 -3.239 20.126) 24.396 4.633 ( 8.788 6.667 3.598) 11.603 4.960 ( -3.177 -2.642 4.977) 6.469 5.136 ( 3.860 -7.926 -2.544) 9.176 5.497 ( 14.258 11.318 -4.020) 18.643 5.616 ( 16.816 1.825 -33.355) 37.399 5.905 ( 24.446 10.255 -4.039) 26.816 6.297 ( 15.091 3.330 -14.035) 20.876 6.682 ( 22.439 -7.112 4.982) 24.061 6.887 ( 27.851 -12.516 -2.799) 30.662 7.435 ( 9.536 11.590 21.995) 26.628 7.819 ( 8.826 11.801 -2.011) 14.873 7.891 ( 4.328 -6.108 13.828) 15.724 8.634 ( 2.999 -0.379 -11.088) 11.492 9.347 ( -12.855 1.794 6.097) 14.341 9.665 ( -6.606 -0.006 -5.749) 8.757 10.269 ( -15.725 -4.192 0.156) 16.275 10.303 ( -18.087 -5.967 -0.149) 19.047 10.552 ( -12.184 -2.032 6.776) 14.089 11.014 ( -0.413 -0.666 -12.043) 12.068 11.773 ( -6.692 1.142 -1.010) 6.864 11.993 ( -6.157 -0.291 -6.421) 8.901 12.043 ( -9.132 -1.024 5.514) 10.717 12.373 ( -16.334 -3.285 -4.936) 17.377 12.432 ( -19.690 -4.162 4.212) 20.561 12.658 ( -18.350 -9.825 -2.918) 21.018 13.568 ( -19.814 0.504 13.298) 23.869 14.145 ( -11.899 0.607 -8.912) 14.878 15.098 ( -5.493 15.012 2.449) 16.172 15.124 ( -3.853 13.365 1.015) 13.947 16.189 ( 18.794 0.776 8.692) 20.722 16.733 ( 9.457 3.673 -12.864) 16.383 17.261 ( 0.272 9.916 6.658) 11.947 17.418 ( -0.188 1.764 0.694) 1.905 18.502 ( 15.108 -9.171 2.557) 17.858 18.633 ( 14.321 -8.003 -2.292) 16.565 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 1.912 -2.779 -0.025) 3.374 1.752 ( 6.930 -0.754 -2.962) 7.574 2.098 ( 13.902 -9.714 4.645) 17.584 2.185 ( 7.818 0.566 3.456) 8.566 2.501 ( 7.716 -4.395 -2.479) 9.220 2.682 ( 14.280 -12.174 -8.702) 20.685 2.802 ( 19.488 -4.080 -2.963) 20.130 3.078 ( 10.816 -0.861 -6.712) 12.758 3.324 ( 0.895 -2.105 0.973) 2.486 3.388 ( 8.977 -5.057 -2.965) 10.722 3.833 ( 12.586 3.913 6.814) 14.838 4.125 ( 12.191 -1.046 1.058) 12.281 4.419 ( 22.717 -4.484 25.761) 34.638 4.741 ( 4.797 0.087 7.261) 8.703 4.862 ( -5.960 -0.311 13.470) 14.733 5.213 ( -2.842 -9.961 -4.769) 11.404 5.628 ( 7.695 12.952 -7.953) 17.036 5.930 ( 17.120 6.135 -23.108) 29.406 6.234 ( 17.485 12.722 -10.087) 23.860 6.539 ( 12.826 6.372 -14.617) 20.464 7.155 ( 20.247 -9.858 9.493) 24.438 7.478 ( 23.217 -10.750 -2.791) 25.736 7.567 ( 11.430 6.412 13.496) 18.812 7.834 ( 8.213 14.412 2.521) 16.778 8.174 ( 15.633 -4.113 9.621) 18.811 8.711 ( 4.287 -0.230 -7.565) 8.698 9.106 ( -10.440 0.986 6.936) 12.573 9.540 ( -6.934 -0.422 -10.063) 12.228 10.002 ( -15.698 -5.102 2.557) 16.703 10.031 ( -11.415 -4.982 0.096) 12.455 10.366 ( -8.874 -1.544 8.619) 12.467 10.916 ( -11.107 -0.387 -12.822) 16.968 11.650 ( -4.292 1.986 2.075) 5.165 11.831 ( -6.385 1.128 0.968) 6.556 11.992 ( -1.650 -1.709 -3.353) 4.110 12.061 ( -19.950 -6.593 7.463) 22.297 12.268 ( -0.582 -4.055 -8.924) 9.819 12.358 ( -18.379 -11.156 -4.099) 21.887 13.163 ( -21.906 0.923 16.034) 27.162 13.876 ( -15.513 1.200 -11.689) 19.461 14.925 ( -2.668 13.696 3.318) 14.343 14.984 ( -2.145 11.849 0.776) 12.066 16.497 ( 13.952 1.125 4.928) 14.839 16.842 ( 5.492 6.366 -8.723) 12.115 17.197 ( -1.423 5.868 6.598) 8.944 17.409 ( -0.882 -2.632 -1.363) 3.092 18.801 ( 11.454 -4.629 2.203) 12.549 18.922 ( 10.486 -6.510 -2.159) 12.529 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 0.215 -0.394 2.872) 2.907 1.844 ( 3.032 0.616 -3.061) 4.352 2.259 ( 4.865 0.899 3.929) 6.317 2.437 ( 10.466 -2.353 -0.981) 10.772 2.696 ( 8.441 -9.278 2.154) 12.727 2.968 ( 9.299 -6.417 -5.639) 12.627 3.138 ( 9.367 -2.650 -3.568) 10.368 3.276 ( 6.617 -4.911 -9.035) 12.229 3.377 ( 7.761 -0.469 3.603) 8.569 3.534 ( 5.502 1.181 -3.801) 6.791 4.123 ( 15.175 -3.855 3.903) 16.136 4.324 ( 6.419 1.344 -0.381) 6.569 4.745 ( 0.288 -2.676 6.454) 6.992 4.814 ( 9.802 -1.420 12.708) 16.112 4.879 ( 8.165 -6.595 25.133) 27.236 5.171 ( -6.883 -6.976 -2.097) 10.022 5.622 ( 0.871 12.099 -6.557) 13.789 6.122 ( 8.522 13.094 -6.441) 16.899 6.437 ( 12.168 6.993 -22.885) 26.846 6.685 ( 6.069 4.237 -17.987) 19.451 7.550 ( 13.350 -10.684 12.219) 21.016 7.727 ( 11.275 11.083 13.837) 21.010 7.815 ( 6.286 -6.535 0.919) 9.113 8.051 ( 18.324 4.999 -4.265) 19.467 8.477 ( 13.081 -1.764 6.016) 14.505 8.782 ( 2.930 0.268 -3.966) 4.938 8.965 ( -3.605 0.109 5.206) 6.333 9.376 ( -11.016 -0.808 -12.036) 16.336 9.827 ( -4.912 -2.830 5.813) 8.120 9.925 ( -3.129 -4.457 0.166) 5.448 10.234 ( -5.326 -0.782 5.915) 7.998 10.632 ( -16.973 -0.347 -9.891) 19.648 11.601 ( 0.417 2.383 3.072) 3.910 11.742 ( -2.020 2.386 0.924) 3.260 11.773 ( -13.387 -5.453 6.655) 15.913 11.985 ( -1.757 -2.928 -0.288) 3.426 12.050 ( -15.362 -9.368 -3.444) 18.320 12.458 ( 12.313 -3.748 -12.006) 17.601 12.736 ( -21.130 1.507 17.363) 27.390 13.545 ( -17.929 1.812 -13.921) 22.771 14.815 ( -0.955 9.279 3.763) 10.059 14.886 ( -1.217 7.859 0.846) 7.997 16.703 ( 8.386 1.023 1.475) 8.576 16.869 ( 2.049 6.083 -4.965) 8.115 17.137 ( -1.779 2.453 7.447) 8.040 17.419 ( -0.239 -3.194 -3.209) 4.534 19.003 ( 7.209 -2.664 1.846) 7.904 19.111 ( 5.677 -4.038 -2.028) 7.256 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.062 -0.071 4.113) 4.115 1.874 ( 0.777 0.415 -2.873) 3.005 2.320 ( 1.806 0.346 4.448) 4.813 2.560 ( 2.820 0.303 -4.200) 5.068 2.899 ( 5.476 -5.231 3.619) 8.393 3.117 ( 3.477 -2.931 -0.738) 4.607 3.180 ( -1.540 2.173 0.482) 2.707 3.389 ( 2.784 -2.404 -12.535) 13.063 3.566 ( 4.907 0.115 -1.311) 5.081 3.626 ( 5.331 -1.440 -3.801) 6.704 4.275 ( -1.476 2.546 6.007) 6.689 4.419 ( 6.194 -2.491 5.052) 8.372 4.818 ( 5.176 0.101 -3.285) 6.131 4.926 ( -0.859 -8.249 0.323) 8.300 5.078 ( 3.688 -1.928 27.806) 28.116 5.090 ( -0.759 -0.001 8.136) 8.171 5.539 ( -1.709 5.851 -4.103) 7.348 6.124 ( 1.161 7.505 0.707) 7.627 6.608 ( 8.050 2.460 -27.664) 28.916 6.713 ( -1.281 0.664 -20.502) 20.553 7.777 ( 2.082 -11.342 12.790) 17.221 7.820 ( 6.498 11.311 14.600) 19.579 7.933 ( 3.154 -1.079 1.642) 3.716 8.284 ( 6.781 0.744 -5.428) 8.718 8.663 ( 5.021 -0.417 3.012) 5.870 8.817 ( 0.853 0.068 -1.468) 1.699 8.970 ( 3.526 -0.278 0.904) 3.651 9.168 ( -9.367 -0.195 -7.113) 11.763 9.809 ( 0.083 -1.078 5.507) 5.612 9.933 ( 0.476 -1.587 0.027) 1.657 10.201 ( 2.358 -0.136 0.026) 2.362 10.342 ( -12.196 -0.139 -5.618) 13.428 11.595 ( -0.760 0.608 3.713) 3.838 11.649 ( -2.368 -1.883 2.090) 3.677 11.721 ( 1.508 3.287 0.634) 3.672 11.824 ( -8.667 -5.211 -3.644) 10.749 12.080 ( 6.657 -3.702 9.004) 11.794 12.338 ( -16.331 2.519 16.634) 23.446 12.783 ( 16.336 -2.881 -14.207) 21.841 13.183 ( -17.727 2.307 -15.261) 23.504 14.763 ( -0.193 3.252 3.927) 5.102 14.835 ( -0.434 2.728 1.062) 2.960 16.808 ( 2.970 -0.412 -1.592) 3.395 16.856 ( 0.208 3.389 -2.783) 4.390 17.102 ( -0.782 0.426 8.933) 8.977 17.433 ( 0.012 -1.289 -4.074) 4.273 19.109 ( 2.567 -0.921 1.429) 3.079 19.197 ( 1.618 -1.362 -1.696) 2.711 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 17.891 0.000 11.270) 21.144 1.287 ( 11.699 0.000 1.377) 11.780 1.586 ( 26.969 0.000 -0.346) 26.972 1.837 ( -0.406 -0.000 -4.392) 4.411 2.047 ( 17.132 0.000 8.040) 18.924 2.059 ( 4.664 0.000 3.345) 5.740 2.197 ( 5.030 0.000 -12.822) 13.774 2.643 ( 7.329 0.000 -26.060) 27.071 2.858 ( 16.081 0.000 12.065) 20.103 3.282 ( -0.802 -0.000 -2.672) 2.790 3.357 ( 15.931 0.000 25.240) 29.847 3.758 ( 5.476 0.000 14.714) 15.700 3.812 ( 1.506 0.000 13.221) 13.306 4.563 ( 17.121 0.000 -11.023) 20.363 4.747 ( 7.927 0.000 -7.651) 11.017 5.099 ( -2.015 -0.000 9.864) 10.067 5.304 ( 18.326 0.000 1.297) 18.372 5.370 ( 9.329 0.000 -38.396) 39.513 5.524 ( 23.655 0.000 -1.496) 23.702 6.018 ( 15.362 0.000 -13.166) 20.232 6.228 ( 19.036 0.000 -0.091) 19.036 6.255 ( 20.095 0.000 -2.105) 20.204 7.328 ( 13.301 0.000 31.132) 33.854 7.737 ( 0.372 0.000 1.707) 1.748 7.915 ( 0.211 0.000 5.932) 5.935 8.614 ( -0.764 -0.000 -13.472) 13.494 9.601 ( -10.422 -0.000 4.025) 11.172 9.793 ( -6.159 -0.000 -3.379) 7.025 10.507 ( -13.115 -0.000 0.170) 13.117 10.545 ( -14.288 -0.000 0.771) 14.309 10.790 ( -14.798 -0.000 4.157) 15.370 10.988 ( -0.194 -0.000 -5.224) 5.227 11.912 ( -6.865 -0.000 -6.061) 9.158 12.012 ( -0.178 -0.000 -9.418) 9.419 12.368 ( -20.734 -0.000 11.115) 23.526 12.720 ( -19.215 -0.000 0.931) 19.238 12.789 ( -22.608 -0.000 -3.514) 22.880 12.891 ( -15.683 -0.000 -2.295) 15.850 13.918 ( -16.145 -0.000 9.714) 18.842 14.333 ( -7.298 -0.000 -6.040) 9.474 15.355 ( -2.212 -0.000 1.655) 2.763 15.416 ( -9.165 -0.000 -0.890) 9.208 15.830 ( 17.009 0.000 14.599) 22.415 16.541 ( 12.782 0.000 -15.583) 20.155 17.428 ( -0.158 -0.000 8.357) 8.359 17.531 ( -6.043 -0.000 4.173) 7.344 17.939 ( 25.246 0.000 4.490) 25.642 18.216 ( 18.354 0.000 -5.739) 19.231 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 20.530 -9.421 5.263) 23.194 1.528 ( 12.430 -1.552 -3.780) 13.085 1.831 ( 1.123 -0.200 0.723) 1.350 2.078 ( 18.425 2.235 -4.570) 19.115 2.166 ( 9.237 -4.962 2.190) 10.711 2.309 ( 10.656 -0.453 -1.199) 10.732 2.382 ( 14.327 -2.980 -7.385) 16.392 2.866 ( 14.733 0.923 -20.520) 25.278 3.059 ( 7.489 -2.787 8.719) 11.827 3.292 ( 1.449 -0.507 -1.419) 2.090 3.754 ( 15.054 0.571 14.207) 20.707 3.869 ( 12.808 4.374 16.625) 21.438 3.938 ( 11.933 -4.199 19.972) 23.641 4.735 ( 5.275 7.664 -2.569) 9.652 4.891 ( 2.168 -6.887 -3.683) 8.105 5.069 ( -0.999 -2.163 9.178) 9.482 5.612 ( 15.070 4.805 -10.790) 19.147 5.627 ( 16.637 0.477 -32.524) 36.535 6.008 ( 26.578 4.093 -1.092) 26.913 6.361 ( 20.765 5.192 -12.267) 24.670 6.617 ( 20.550 -1.877 2.148) 20.747 6.721 ( 24.349 -10.348 -1.240) 26.486 7.575 ( 12.491 8.125 27.349) 31.145 7.788 ( 5.493 -6.170 8.463) 11.827 7.948 ( 5.576 4.886 -0.439) 7.426 8.625 ( 2.011 -0.611 -12.101) 12.282 9.366 ( -13.231 0.870 5.878) 14.504 9.666 ( -6.686 0.144 -5.439) 8.620 10.230 ( -15.571 -1.525 0.071) 15.646 10.244 ( -17.522 -2.476 0.398) 17.701 10.534 ( -11.767 -0.703 6.588) 13.504 11.008 ( -0.074 -0.272 -12.385) 12.388 11.784 ( -6.461 0.407 -1.258) 6.595 11.991 ( -2.292 -0.047 -7.734) 8.067 12.034 ( -12.886 -0.371 7.217) 14.774 12.337 ( -18.276 -1.619 -2.101) 18.467 12.403 ( -18.557 -0.732 -0.098) 18.572 12.564 ( -19.214 -3.906 -2.496) 19.765 13.573 ( -19.663 0.220 13.156) 23.659 14.150 ( -11.724 0.191 -8.924) 14.735 15.236 ( -7.652 5.374 1.095) 9.415 15.252 ( -5.137 5.266 1.001) 7.425 16.195 ( 18.796 0.185 9.533) 21.076 16.767 ( 10.818 1.389 -13.586) 17.422 17.376 ( -2.698 6.737 5.971) 9.397 17.429 ( -3.994 -1.038 4.289) 5.951 18.405 ( 20.245 -4.373 2.456) 20.857 18.552 ( 15.356 -3.533 -2.888) 16.020 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 7.208 -4.402 0.641) 8.470 1.740 ( 8.246 -0.792 -3.631) 9.045 1.982 ( 15.126 -6.036 6.091) 17.388 2.215 ( 6.356 2.942 3.549) 7.852 2.459 ( 8.050 -3.124 -6.835) 11.013 2.541 ( 14.922 -7.633 -8.949) 19.001 2.760 ( 20.898 -2.234 -1.821) 21.096 3.099 ( 10.429 3.781 -5.553) 12.405 3.261 ( 7.581 -6.897 -2.717) 10.603 3.347 ( 6.006 -1.060 -1.466) 6.273 3.893 ( 8.490 4.487 7.126) 11.958 4.097 ( 10.596 -2.707 5.827) 12.392 4.365 ( 23.445 -3.197 29.343) 37.694 4.752 ( 0.228 1.133 1.787) 2.128 4.875 ( -3.271 2.121 7.591) 8.534 5.089 ( -2.004 -8.307 1.764) 8.725 5.772 ( 6.809 8.207 -11.495) 15.679 5.977 ( 18.752 1.557 -30.739) 36.041 6.410 ( 19.311 11.469 -4.005) 22.814 6.665 ( 15.822 12.857 -9.184) 22.360 7.021 ( 17.765 -8.878 5.183) 20.525 7.249 ( 18.165 -18.975 -4.087) 26.585 7.719 ( 12.273 11.755 19.187) 25.632 7.952 ( 8.839 1.215 9.131) 12.767 8.148 ( 16.774 1.567 2.131) 16.981 8.694 ( 3.755 -1.921 -8.574) 9.555 9.121 ( -10.871 0.975 6.746) 12.831 9.540 ( -6.862 0.244 -9.906) 12.054 9.947 ( -13.905 -3.001 2.885) 14.515 9.976 ( -11.559 -3.089 0.321) 11.969 10.349 ( -8.401 -0.883 8.520) 11.997 10.911 ( -11.098 -0.283 -13.242) 17.280 11.671 ( -4.131 1.104 2.230) 4.822 11.845 ( -5.887 0.955 3.940) 7.148 11.965 ( -4.570 -2.285 -5.120) 7.234 11.999 ( -16.160 -2.521 5.309) 17.195 12.215 ( -12.889 -4.221 -5.332) 14.573 12.251 ( -5.059 -4.406 -7.333) 9.939 13.173 ( -21.788 0.514 15.980) 27.025 13.888 ( -15.323 0.618 -11.682) 19.278 15.060 ( -6.412 6.779 2.398) 9.634 15.114 ( -4.724 7.216 0.501) 8.640 16.509 ( 14.036 0.574 6.278) 15.387 16.917 ( 6.671 4.721 -10.025) 12.934 17.269 ( -4.101 4.346 4.947) 7.758 17.380 ( -2.039 -1.651 2.362) 3.530 18.750 ( 13.520 -2.691 1.362) 13.852 18.841 ( 11.653 -5.191 -1.868) 12.893 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.764 -0.647 2.863) 3.033 1.849 ( 3.318 0.237 -3.426) 4.775 2.274 ( 6.281 0.898 3.261) 7.134 2.402 ( 15.539 -2.157 3.272) 16.026 2.602 ( 6.476 -4.880 -1.613) 8.267 2.875 ( 12.765 -7.334 -8.509) 17.003 3.123 ( 14.391 0.227 -4.363) 15.039 3.240 ( 5.489 -0.295 -4.782) 7.286 3.367 ( 6.466 -1.514 2.885) 7.240 3.536 ( 7.755 -0.734 -6.692) 10.269 4.077 ( 11.337 -2.349 5.287) 12.728 4.302 ( 6.811 -4.042 1.199) 8.010 4.713 ( -2.842 -1.868 7.212) 7.974 4.791 ( 16.615 -2.855 24.147) 29.450 4.833 ( 2.215 0.732 10.695) 10.946 5.074 ( -4.931 -7.377 1.700) 9.034 5.773 ( -0.187 9.822 -10.300) 14.234 6.264 ( 12.330 6.891 -18.630) 23.379 6.583 ( 9.357 14.630 -13.610) 22.064 6.780 ( 5.198 10.780 -11.699) 16.736 7.383 ( 11.438 -13.407 7.605) 19.194 7.608 ( 6.457 -20.020 -1.787) 21.111 7.875 ( 10.253 10.082 18.393) 23.347 8.180 ( 17.236 9.545 -0.497) 19.709 8.455 ( 14.030 -1.166 4.460) 14.768 8.768 ( 2.205 -2.174 -4.613) 5.556 8.970 ( -3.789 0.648 5.219) 6.482 9.369 ( -11.007 -0.230 -11.135) 15.658 9.799 ( -3.336 -1.200 4.585) 5.795 9.871 ( -1.520 -3.728 0.854) 4.116 10.225 ( -4.820 -0.607 5.953) 7.683 10.627 ( -16.880 -0.319 -10.097) 19.672 11.627 ( 0.081 1.532 3.204) 3.553 11.710 ( -12.094 -3.897 5.663) 13.911 11.773 ( -0.869 2.210 4.246) 4.865 11.928 ( -13.655 -5.762 -3.351) 15.195 11.963 ( -2.154 -3.396 -2.730) 4.861 12.414 ( 13.035 -2.693 -12.578) 18.313 12.753 ( -20.881 0.986 17.527) 27.280 13.565 ( -17.714 1.183 -13.900) 22.548 14.907 ( -5.578 4.819 3.350) 8.096 14.983 ( -4.214 6.207 0.442) 7.515 16.716 ( 8.120 0.873 3.139) 8.749 16.954 ( 1.432 6.540 -5.598) 8.727 17.173 ( -3.441 2.469 5.606) 7.026 17.382 ( 0.723 -2.416 -1.163) 2.777 18.970 ( 8.182 -2.033 1.214) 8.518 19.053 ( 7.058 -4.454 -1.725) 8.523 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 0.178 -0.127 4.121) 4.127 1.879 ( 0.384 0.364 -3.092) 3.137 2.336 ( 2.045 1.977 4.054) 4.953 2.569 ( 2.661 1.018 -4.283) 5.144 2.835 ( 11.542 -4.308 4.870) 13.248 3.082 ( 5.344 -2.856 -2.215) 6.452 3.214 ( -0.443 3.223 -1.254) 3.487 3.376 ( 7.188 0.691 -10.683) 12.895 3.562 ( 9.013 -1.390 -2.499) 9.456 3.618 ( 1.926 0.587 -3.571) 4.099 4.278 ( 0.707 -3.030 3.980) 5.052 4.346 ( 0.389 -6.759 5.451) 8.692 4.776 ( 5.754 -7.527 7.928) 12.354 4.844 ( 0.118 -1.014 -2.147) 2.377 4.999 ( -3.192 -4.179 8.539) 10.028 5.120 ( 10.927 -1.290 22.660) 25.190 5.647 ( -5.653 9.713 -6.559) 13.013 6.288 ( -1.190 15.098 -1.581) 15.227 6.667 ( 7.003 6.077 -26.735) 28.298 6.746 ( -3.100 5.050 -16.774) 17.790 7.606 ( 2.064 -13.933 8.831) 16.625 7.785 ( -0.853 -17.580 0.088) 17.601 7.958 ( 4.660 9.033 17.749) 20.454 8.380 ( 9.037 10.212 -3.799) 14.155 8.657 ( 5.768 -0.493 2.877) 6.465 8.803 ( 0.133 -2.056 -1.715) 2.681 8.973 ( 4.116 0.676 0.951) 4.278 9.165 ( -9.166 -0.269 -6.466) 11.220 9.796 ( 1.157 -0.871 5.037) 5.241 9.918 ( 3.099 -0.652 0.092) 3.168 10.199 ( 2.631 -0.148 0.101) 2.637 10.340 ( -12.043 -0.155 -5.672) 13.313 11.583 ( -2.567 -1.979 3.996) 5.145 11.641 ( 0.635 0.297 1.112) 1.314 11.723 ( -6.293 -3.372 0.183) 7.141 11.804 ( 2.246 2.878 -1.667) 4.014 12.029 ( 6.893 -4.100 8.186) 11.460 12.367 ( -15.674 1.803 16.579) 22.886 12.749 ( 17.233 -2.215 -14.384) 22.557 13.209 ( -17.986 1.658 -15.132) 23.563 14.785 ( -5.226 0.528 4.043) 6.628 14.876 ( -3.672 3.042 0.595) 4.805 16.807 ( 2.016 0.205 -0.349) 2.057 16.910 ( -1.776 4.543 -3.372) 5.930 17.115 ( -1.166 1.284 8.191) 8.373 17.423 ( 2.121 -0.387 -3.507) 4.117 19.092 ( 3.395 -1.430 1.187) 3.870 19.171 ( 3.014 -2.452 -1.580) 4.194 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.019 0.030 4.073) 4.073 1.869 ( -1.301 -0.305 -2.751) 3.058 2.329 ( -1.621 1.575 4.260) 4.822 2.559 ( -2.853 0.132 -4.036) 4.945 2.975 ( 1.505 6.275 3.313) 7.254 3.152 ( 1.863 -1.940 1.109) 2.909 3.162 ( -1.916 3.448 0.316) 3.957 3.435 ( 0.690 4.519 -13.116) 13.890 3.573 ( -3.813 1.392 -1.382) 4.288 3.646 ( -4.358 1.485 -5.288) 7.011 4.224 ( -1.912 -5.031 6.547) 8.475 4.395 ( -6.016 -6.042 5.036) 9.903 4.814 ( -2.386 -0.407 -2.533) 3.504 4.890 ( -3.802 -13.101 14.004) 19.550 5.052 ( 7.896 3.620 -1.418) 8.801 5.226 ( 1.360 9.722 22.846) 24.866 5.490 ( -4.816 -0.972 -4.882) 6.926 6.123 ( -6.317 7.166 1.419) 9.657 6.602 ( -9.603 1.023 -21.228) 23.321 6.721 ( 0.728 2.184 -25.461) 25.565 7.650 ( -6.713 -13.523 9.745) 17.970 7.804 ( -8.874 -16.487 1.029) 18.751 7.916 ( -3.100 8.650 16.256) 18.674 8.369 ( -3.164 9.970 -4.756) 11.490 8.668 ( -4.502 0.405 2.883) 5.361 8.802 ( -1.762 -2.019 -1.031) 2.871 8.981 ( -3.346 1.271 0.670) 3.641 9.170 ( 10.119 0.018 -7.282) 12.467 9.822 ( 1.388 0.838 6.089) 6.302 9.960 ( 1.917 2.426 -0.226) 3.100 10.202 ( -2.110 0.092 -0.083) 2.114 10.343 ( 12.317 0.090 -5.604) 13.532 11.577 ( -0.784 -1.744 2.550) 3.187 11.671 ( 0.457 -2.562 -1.013) 2.792 11.684 ( 3.561 1.670 4.204) 5.757 11.899 ( 11.556 5.600 -3.407) 13.285 12.125 ( -6.219 3.040 9.538) 11.785 12.302 ( 17.141 -2.822 16.701) 24.097 12.823 ( -15.568 3.098 -14.146) 21.262 13.150 ( 17.675 -2.656 -15.349) 23.559 14.702 ( -5.117 -5.408 4.562) 8.732 14.806 ( -3.089 -1.769 0.613) 3.612 16.810 ( -1.951 -1.068 -2.892) 3.648 16.830 ( -4.439 0.358 -2.193) 4.964 17.106 ( 0.621 0.912 9.739) 9.801 17.457 ( 1.986 2.241 -4.393) 5.317 19.115 ( -1.621 -0.075 1.504) 2.212 19.205 ( -0.286 -0.067 -1.724) 1.749 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.015 0.188 2.889) 2.895 1.833 ( -2.972 -0.887 -2.627) 4.065 2.258 ( -4.756 0.790 4.090) 6.323 2.459 ( -7.455 1.075 -2.749) 8.018 2.840 ( -6.935 12.232 3.246) 14.431 3.047 ( -7.088 5.599 -0.951) 9.082 3.177 ( -3.173 2.484 -2.106) 4.547 3.362 ( -6.182 7.505 -12.435) 15.786 3.396 ( -9.679 2.986 1.752) 10.280 3.507 ( -5.891 -2.270 -2.274) 6.710 4.158 ( -14.982 0.769 3.356) 15.373 4.267 ( -5.260 -6.755 0.349) 8.568 4.761 ( -9.118 -2.499 8.173) 12.497 4.815 ( -3.675 -0.809 9.632) 10.341 5.005 ( -6.172 12.382 23.895) 27.611 5.253 ( 7.978 5.403 -4.131) 10.483 5.476 ( -2.637 -9.450 -5.024) 11.022 5.980 ( -8.960 -6.218 -0.158) 10.908 6.380 ( -13.788 -2.423 -22.651) 26.629 6.656 ( -6.855 -0.445 -22.289) 23.323 7.530 ( -14.836 -12.249 11.651) 22.492 7.664 ( -15.341 -9.867 4.683) 18.832 7.754 ( -8.543 0.865 9.676) 12.937 8.135 ( -13.796 11.474 -5.160) 18.671 8.497 ( -12.060 1.290 5.955) 13.512 8.761 ( -4.017 -2.760 -3.112) 5.782 8.968 ( 3.318 0.623 5.189) 6.191 9.390 ( 11.501 1.300 -12.758) 17.226 9.869 ( 6.644 3.283 6.672) 9.971 9.987 ( 4.548 4.812 -0.311) 6.629 10.244 ( 5.956 0.762 5.801) 8.349 10.636 ( 17.058 0.270 -9.727) 19.639 11.567 ( -0.593 -2.614 2.908) 3.954 11.711 ( 2.990 -2.121 -1.813) 4.090 11.849 ( 15.266 5.790 8.108) 18.230 12.019 ( -0.501 2.235 2.919) 3.710 12.185 ( 19.754 10.565 -5.001) 22.953 12.510 ( -11.424 3.967 -11.533) 16.711 12.714 ( 21.406 -1.739 17.077) 27.438 13.518 ( 18.225 -2.133 -13.931) 23.038 14.667 ( -4.449 -12.361 4.878) 14.014 14.783 ( -2.554 -7.622 0.451) 8.052 16.691 ( -8.996 -0.653 -0.239) 9.023 16.794 ( -3.445 -5.292 -5.091) 8.112 17.117 ( 0.718 -0.344 9.600) 9.633 17.467 ( 1.175 3.985 -4.512) 6.134 19.034 ( -6.086 1.901 2.186) 6.740 19.155 ( -4.311 2.499 -2.167) 5.434 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -0.033 0.925 0.249) 0.959 1.757 ( -5.602 0.043 -2.346) 6.073 2.147 ( -6.428 0.111 3.257) 7.207 2.251 ( -11.625 6.737 1.217) 13.491 2.601 ( -9.107 11.060 1.474) 14.402 2.831 ( -10.865 9.154 -4.621) 14.940 2.869 ( -20.590 6.583 -1.808) 21.692 3.127 ( -10.424 6.413 -10.425) 16.077 3.345 ( 0.485 1.747 1.424) 2.305 3.434 ( -3.989 0.740 -2.276) 4.652 3.808 ( -18.027 0.555 6.500) 19.171 4.119 ( -12.788 -1.817 -4.216) 13.587 4.461 ( -20.623 0.964 19.918) 28.687 4.761 ( -7.372 3.272 13.320) 15.571 4.885 ( 3.939 3.356 16.581) 17.370 5.339 ( 4.509 7.904 -8.098) 12.182 5.452 ( -8.430 -12.109 -6.808) 16.250 5.814 ( -14.932 -10.082 -7.823) 19.642 6.115 ( -17.021 -5.550 -19.123) 26.195 6.481 ( -11.893 -2.714 -18.858) 22.459 7.236 ( -20.620 -0.485 12.946) 24.352 7.389 ( -18.104 -8.930 7.368) 21.490 7.628 ( -10.238 -13.958 3.073) 17.581 7.708 ( -19.725 13.130 -3.298) 23.923 8.228 ( -13.384 3.779 10.386) 17.357 8.694 ( -4.726 -2.762 -6.281) 8.331 9.098 ( 9.934 -0.327 7.251) 12.303 9.553 ( 6.992 1.483 -10.346) 12.575 10.075 ( 17.366 5.728 2.172) 18.415 10.103 ( 11.516 5.678 -0.184) 12.841 10.388 ( 9.603 1.855 8.666) 13.067 10.920 ( 11.093 0.318 -12.300) 16.566 11.620 ( 4.554 -2.429 1.940) 5.514 11.817 ( 7.363 -0.869 -2.258) 7.750 12.012 ( 1.541 1.386 -0.265) 2.089 12.164 ( 21.410 8.720 8.989) 24.804 12.325 ( -1.326 4.527 -8.769) 9.957 12.530 ( 21.847 14.389 -4.750) 26.588 13.149 ( 22.190 -1.118 16.002) 27.381 13.857 ( 15.727 -1.659 -11.720) 19.684 14.707 ( -1.717 -18.539 4.745) 19.214 14.813 ( -1.515 -13.599 0.491) 13.692 16.480 ( -13.990 -1.354 2.894) 14.350 16.748 ( -6.064 -7.902 -8.553) 13.129 17.134 ( -0.343 -3.117 9.094) 9.619 17.450 ( -0.340 3.584 -3.965) 5.356 18.862 ( -9.572 4.351 2.730) 10.863 19.003 ( -8.965 5.401 -2.373) 10.732 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -7.956 3.545 -1.070) 8.775 1.650 ( -2.813 7.456 -3.030) 8.525 1.937 ( -10.395 10.690 5.745) 15.979 2.033 ( -8.953 -0.653 1.891) 9.174 2.338 ( -18.954 5.499 -1.049) 19.763 2.386 ( -14.207 8.140 0.420) 16.380 2.600 ( -8.673 10.249 -8.271) 15.769 2.883 ( -10.314 5.199 -14.596) 18.613 3.241 ( -12.746 10.458 4.524) 17.097 3.333 ( -0.786 2.518 3.172) 4.126 3.594 ( -6.534 -9.139 5.020) 12.305 3.855 ( -17.228 -0.743 3.642) 17.625 4.036 ( -17.345 4.461 19.964) 26.820 4.569 ( -12.057 -2.820 11.574) 16.950 4.974 ( 4.395 0.136 8.947) 9.969 5.242 ( -10.979 4.413 -9.522) 15.188 5.348 ( -8.966 -7.835 -3.580) 12.434 5.558 ( -16.791 -7.429 -17.528) 25.384 5.790 ( -20.641 -5.703 -14.384) 25.797 6.268 ( -11.150 -1.430 -16.715) 20.143 6.780 ( -23.517 6.916 7.336) 25.587 7.008 ( -27.285 3.830 -0.978) 27.570 7.303 ( -12.294 -6.519 16.233) 21.381 7.620 ( -5.415 -16.630 -1.274) 17.535 7.977 ( -8.082 6.163 13.594) 16.974 8.626 ( -3.620 -1.680 -9.550) 10.350 9.325 ( 12.339 -1.454 6.532) 14.036 9.669 ( 6.354 0.777 -6.146) 8.874 10.335 ( 15.778 5.481 0.177) 16.704 10.392 ( 18.576 7.087 -0.836) 19.900 10.586 ( 13.150 3.059 6.916) 15.170 11.024 ( 0.993 0.752 -11.517) 11.584 11.754 ( 7.113 -1.686 -0.617) 7.336 12.000 ( 9.891 0.776 -5.669) 11.427 12.059 ( 6.125 1.407 3.749) 7.318 12.414 ( 14.234 2.940 -6.982) 16.125 12.520 ( 20.186 8.898 8.736) 23.727 12.811 ( 16.039 12.952 -2.864) 20.814 13.562 ( 20.369 -0.289 13.282) 24.318 14.134 ( 12.184 -1.130 -8.961) 15.167 14.860 ( 4.592 -20.102 3.694) 20.948 14.914 ( 1.520 -17.830 1.003) 17.922 16.174 ( -18.859 -1.320 6.706) 20.059 16.660 ( -8.836 -7.967 -12.991) 17.616 17.138 ( -3.048 -7.579 8.801) 12.008 17.401 ( -4.043 -0.501 -2.682) 4.878 18.623 ( -10.533 8.526 2.554) 13.790 18.746 ( -12.779 8.510 -2.022) 15.486 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -9.770 19.010 5.814) 22.151 1.410 ( -8.911 13.827 3.273) 16.772 1.688 ( -22.643 7.075 1.685) 23.782 1.807 ( -2.097 -1.379 -1.182) 2.774 2.047 ( -6.790 0.364 0.598) 6.826 2.130 ( -11.785 6.141 1.965) 13.433 2.387 ( -5.627 11.418 -12.525) 17.858 2.691 ( -5.957 4.333 -21.133) 22.380 2.865 ( -22.538 4.232 16.680) 28.356 3.270 ( -4.290 2.039 11.673) 12.602 3.505 ( -9.963 5.205 7.288) 13.396 3.592 ( -1.481 -8.184 4.635) 9.521 3.850 ( -3.663 0.704 11.908) 12.479 4.339 ( -16.090 -8.836 2.775) 18.565 4.881 ( -15.949 1.761 -13.048) 20.682 5.087 ( -0.851 -2.473 5.960) 6.508 5.161 ( -13.868 -4.686 1.488) 14.713 5.311 ( -13.916 -6.899 -16.416) 22.599 5.446 ( -15.971 -1.051 -17.259) 23.539 6.086 ( -7.503 4.452 -13.516) 16.088 6.305 ( -20.157 5.826 0.310) 20.984 6.438 ( -25.134 8.489 -2.360) 26.634 7.201 ( -7.071 -9.971 27.090) 29.721 7.592 ( -6.235 -10.151 0.976) 11.953 7.898 ( 1.225 -0.612 9.611) 9.708 8.589 ( -1.316 -1.670 -12.090) 12.276 9.555 ( 9.797 -2.445 4.557) 11.079 9.784 ( 5.585 -0.206 -4.094) 6.928 10.591 ( 13.863 5.184 0.202) 14.802 10.657 ( 13.738 6.379 0.549) 15.157 10.846 ( 15.643 4.464 4.043) 16.763 11.017 ( 1.377 1.923 -5.398) 5.893 11.890 ( 6.230 -1.231 -5.279) 8.258 12.069 ( 1.953 3.893 -10.986) 11.818 12.336 ( 18.866 -1.495 11.837) 22.322 12.746 ( 13.448 0.527 1.520) 13.544 12.811 ( 19.318 1.526 0.418) 19.383 12.959 ( 6.480 5.579 -0.036) 8.551 13.915 ( 15.897 -0.104 10.221) 18.899 14.329 ( 7.517 -0.324 -5.843) 9.526 15.117 ( 8.434 -15.589 1.603) 17.797 15.145 ( 12.027 -14.805 0.701) 19.087 15.800 ( -19.857 -1.852 12.294) 23.428 16.511 ( -11.118 -4.078 -16.107) 19.992 17.116 ( -6.840 -14.632 7.395) 17.764 17.275 ( -13.297 -8.494 -0.065) 15.779 18.362 ( -9.258 15.947 0.941) 18.464 18.442 ( -9.318 11.897 -2.237) 15.276 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -14.113 13.793 20.021) 28.112 1.089 ( -10.697 23.490 13.913) 29.322 1.384 ( -1.689 11.123 -0.130) 11.251 1.732 ( -9.115 4.955 12.867) 16.529 1.846 ( -8.458 5.733 1.004) 10.267 1.979 ( -1.281 -0.663 0.237) 1.462 2.219 ( -10.568 7.595 -12.526) 18.063 2.397 ( -17.141 -1.186 16.171) 23.595 2.604 ( -1.364 1.874 -24.897) 25.005 3.196 ( -1.422 0.937 17.310) 17.394 3.451 ( 5.060 4.883 -3.187) 7.720 3.635 ( 1.108 -5.002 4.140) 6.587 3.802 ( -2.175 1.441 16.451) 16.656 4.086 ( -15.553 -9.420 -10.099) 20.799 4.585 ( -12.080 -0.477 -13.338) 18.002 4.939 ( -10.687 -5.117 3.663) 12.402 5.024 ( -9.415 -5.903 -0.913) 11.150 5.169 ( -4.276 -4.797 -18.890) 19.953 5.255 ( -3.296 2.761 -10.082) 10.960 5.846 ( -12.713 6.931 -0.131) 14.480 5.993 ( -13.058 5.964 -3.722) 14.830 6.042 ( -6.268 6.286 -12.629) 15.437 7.121 ( -5.130 -2.370 32.474) 32.962 7.585 ( -1.538 -10.908 2.454) 11.286 7.948 ( 1.808 -1.317 6.375) 6.756 8.599 ( 0.499 -3.215 -13.106) 13.504 9.717 ( 5.121 -3.003 3.049) 6.674 9.876 ( 3.459 -1.096 -3.062) 4.748 10.769 ( 7.837 5.818 0.093) 9.761 10.834 ( 8.452 5.365 0.840) 10.046 11.039 ( 8.822 0.785 6.102) 10.755 11.163 ( 15.412 4.132 5.977) 17.039 11.970 ( -4.683 0.446 -10.307) 11.330 12.057 ( 3.054 1.504 -10.752) 11.278 12.719 ( 16.641 -4.481 13.397) 21.828 12.821 ( -6.507 -18.662 14.338) 24.418 13.021 ( 2.667 1.655 1.790) 3.613 13.250 ( 21.929 0.094 -6.535) 22.882 14.149 ( 7.388 -2.793 7.305) 10.758 14.423 ( 2.389 -0.212 -3.935) 4.609 15.235 ( -11.407 1.563 4.814) 12.479 15.455 ( 14.783 -10.238 -1.312) 18.030 15.731 ( 18.046 -4.655 12.373) 22.370 16.286 ( -13.734 -0.436 -11.446) 17.884 16.979 ( -24.380 -16.124 4.817) 29.623 17.093 ( -9.209 -22.974 1.709) 24.810 18.056 ( -9.288 16.558 1.018) 19.012 18.300 ( 4.938 23.087 -10.317) 25.765 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.000 32.522 15.834) 36.172 0.813 ( -0.000 4.292 33.294) 33.570 1.295 ( -0.000 12.518 17.471) 21.493 1.578 ( -0.000 9.213 26.717) 28.260 1.766 ( -0.000 1.089 -7.534) 7.612 1.935 ( 0.000 -0.905 5.399) 5.475 1.989 ( 0.000 -2.678 -2.607) 3.738 2.293 ( -0.000 2.263 -1.874) 2.938 2.594 ( 0.000 -0.221 -24.763) 24.763 3.187 ( 0.000 -1.004 16.382) 16.413 3.494 ( -0.000 12.095 -14.639) 18.989 3.700 ( 0.000 -0.250 21.263) 21.265 3.743 ( 0.000 -10.200 7.362) 12.580 3.956 ( 0.000 -1.014 -15.321) 15.355 4.473 ( 0.000 -1.587 -13.694) 13.786 4.862 ( 0.000 -4.194 4.271) 5.986 4.952 ( 0.000 -4.488 -0.713) 4.544 5.161 ( 0.000 -5.081 -30.081) 30.507 5.222 ( -0.000 2.605 -0.037) 2.605 5.654 ( -0.000 5.315 3.767) 6.515 5.829 ( -0.000 3.614 -2.735) 4.532 5.944 ( -0.000 7.807 -14.330) 16.319 7.071 ( -0.000 0.645 33.763) 33.769 7.650 ( 0.000 -10.955 1.159) 11.016 7.964 ( -0.000 1.649 7.104) 7.292 8.632 ( 0.000 -3.660 -13.098) 13.600 9.785 ( 0.000 -2.702 2.487) 3.672 9.921 ( 0.000 -1.551 -2.509) 2.950 10.805 ( -0.000 5.066 0.520) 5.092 10.874 ( -0.000 5.293 -1.780) 5.585 11.160 ( 0.000 -0.108 7.520) 7.521 11.536 ( 0.000 -2.748 -2.091) 3.453 11.693 ( -0.000 0.211 5.436) 5.440 12.113 ( -0.000 0.215 -12.168) 12.170 12.880 ( 0.000 -34.997 20.989) 40.808 12.959 ( 0.000 -0.240 14.160) 14.162 13.034 ( 0.000 -3.535 1.888) 4.008 13.498 ( 0.000 -0.255 -7.782) 7.787 14.239 ( 0.000 -3.736 4.687) 5.994 14.443 ( 0.000 -0.630 -3.601) 3.656 15.052 ( -0.000 2.818 11.748) 12.081 15.710 ( 0.000 -2.171 -11.278) 11.486 16.046 ( -0.000 0.046 2.267) 2.268 16.161 ( 0.000 -0.008 -1.920) 1.920 16.731 ( 0.000 -33.716 18.833) 38.620 17.141 ( 0.000 -22.130 -2.587) 22.281 17.847 ( -0.000 16.645 0.525) 16.653 18.198 ( -0.000 35.827 -21.059) 41.558 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 10.906 0.000 1.435) 11.000 1.734 ( 8.811 0.000 -3.961) 9.660 1.944 ( 13.758 0.000 5.861) 14.954 2.242 ( 5.540 0.000 5.043) 7.492 2.423 ( 12.211 0.000 -12.793) 17.685 2.498 ( 11.880 0.000 -5.611) 13.139 2.744 ( 21.526 0.000 -0.927) 21.546 3.165 ( 12.997 0.000 -16.440) 20.957 3.174 ( 6.718 0.000 7.425) 10.013 3.341 ( 5.131 0.000 -1.966) 5.494 3.929 ( 7.165 0.000 7.100) 10.087 4.073 ( 9.809 0.000 7.953) 12.628 4.343 ( 23.703 0.000 30.456) 38.593 4.761 ( -3.047 -0.000 1.992) 3.640 4.900 ( 0.482 0.000 -3.700) 3.731 5.022 ( -2.702 -0.000 11.198) 11.519 5.829 ( 6.208 0.000 -14.088) 15.396 5.985 ( 19.233 0.000 -31.511) 36.917 6.492 ( 21.123 0.000 -1.089) 21.151 6.800 ( 19.729 0.000 -7.062) 20.955 6.973 ( 16.713 0.000 0.954) 16.741 7.057 ( 13.642 0.000 -2.515) 13.872 7.830 ( 9.442 0.000 26.334) 27.976 7.914 ( 13.908 0.000 6.614) 15.401 8.175 ( 14.956 0.000 -1.493) 15.031 8.677 ( 3.407 0.000 -9.079) 9.697 9.128 ( -11.047 -0.000 6.686) 12.913 9.543 ( -6.840 -0.000 -9.871) 12.010 9.927 ( -12.948 -0.000 3.006) 13.292 9.955 ( -11.815 -0.000 0.421) 11.823 10.343 ( -8.239 -0.000 8.470) 11.816 10.909 ( -11.091 -0.000 -13.407) 17.400 11.678 ( -4.096 -0.000 2.299) 4.697 11.853 ( -5.789 -0.000 5.585) 8.044 11.946 ( -8.097 -0.000 -4.158) 9.102 11.985 ( -12.293 -0.000 2.345) 12.514 12.181 ( -18.721 -0.000 -2.524) 18.890 12.226 ( 1.165 0.000 -9.992) 10.060 13.176 ( -21.759 -0.000 15.952) 26.980 13.892 ( -15.250 -0.000 -11.682) 19.211 15.105 ( -7.780 -0.000 2.160) 8.074 15.163 ( -5.798 -0.000 0.234) 5.802 16.512 ( 14.098 0.000 6.730) 15.622 16.952 ( 7.562 0.000 -11.496) 13.760 17.299 ( -6.035 -0.000 4.923) 7.788 17.368 ( -2.085 -0.000 4.370) 4.842 18.733 ( 14.675 0.000 0.823) 14.698 18.803 ( 11.927 0.000 -1.653) 12.041 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 1.458 -0.382 2.919) 3.285 1.851 ( 3.579 0.042 -3.632) 5.099 2.275 ( 11.251 -0.408 2.965) 11.642 2.393 ( 15.580 0.300 6.812) 17.007 2.560 ( 4.211 -1.624 -5.392) 7.031 2.797 ( 14.764 -3.476 -9.444) 17.867 3.129 ( 18.000 0.320 -3.072) 18.263 3.266 ( 3.612 3.488 -3.216) 5.963 3.331 ( 6.654 -3.573 1.889) 7.785 3.524 ( 9.945 -0.630 -9.612) 13.845 4.065 ( 7.337 0.128 5.843) 9.380 4.245 ( 5.989 -3.150 3.279) 7.519 4.697 ( -2.983 -0.663 6.433) 7.122 4.758 ( 18.743 -1.404 29.395) 34.890 4.872 ( -0.953 3.621 0.083) 3.745 4.986 ( -3.117 -5.227 8.300) 10.292 5.865 ( -0.765 3.708 -14.255) 14.750 6.312 ( 14.341 1.329 -23.709) 27.741 6.760 ( 9.800 9.156 -7.970) 15.601 6.975 ( 3.600 16.664 -6.710) 18.321 7.228 ( 9.883 -7.645 3.081) 12.869 7.331 ( 7.200 -20.015 -1.572) 21.328 7.977 ( 7.895 4.510 21.662) 23.493 8.256 ( 18.826 2.031 1.911) 19.032 8.458 ( 13.785 1.126 1.291) 13.891 8.736 ( 1.722 -1.897 -5.180) 5.779 8.978 ( -3.884 0.391 5.234) 6.529 9.368 ( -11.233 -0.028 -10.413) 15.318 9.797 ( -3.079 0.686 2.810) 4.224 9.829 ( 0.301 -2.399 2.118) 3.214 10.219 ( -4.539 -0.232 5.946) 7.484 10.624 ( -16.813 -0.133 -10.248) 19.690 11.640 ( -0.182 0.479 3.125) 3.167 11.674 ( -11.559 -1.432 5.165) 12.742 11.795 ( -0.173 0.998 7.653) 7.719 11.872 ( -13.326 -2.173 -1.936) 13.640 11.933 ( -1.707 -1.269 -6.770) 7.096 12.389 ( 13.469 -0.984 -13.008) 18.750 12.761 ( -20.749 0.339 17.608) 27.215 13.575 ( -17.601 0.408 -13.886) 22.423 14.948 ( -7.983 1.503 3.322) 8.777 15.040 ( -6.108 2.219 -0.071) 6.499 16.724 ( 8.049 0.326 4.148) 9.061 17.026 ( 0.982 3.540 -7.868) 8.683 17.193 ( -4.447 0.605 5.560) 7.145 17.358 ( 1.298 -1.087 1.045) 1.989 18.955 ( 8.634 -0.293 0.449) 8.650 19.004 ( 8.124 -2.451 -1.261) 8.579 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 0.334 -0.117 4.127) 4.143 1.883 ( 0.192 0.196 -3.276) 3.288 2.365 ( 2.234 1.940 3.438) 4.536 2.584 ( 1.412 1.155 -4.483) 4.840 2.789 ( 16.854 -2.506 5.120) 17.792 3.039 ( 7.605 -3.268 -3.660) 9.051 3.266 ( 0.091 4.347 -1.454) 4.585 3.400 ( 10.378 2.006 -5.850) 12.081 3.535 ( 11.278 -2.024 -4.777) 12.415 3.633 ( 1.413 1.013 -6.522) 6.750 4.200 ( 3.826 -6.152 4.565) 8.563 4.275 ( -6.050 -4.556 3.247) 8.240 4.696 ( 1.218 -3.912 13.165) 13.788 4.840 ( -1.018 -0.267 -3.725) 3.871 4.965 ( 1.364 -1.124 6.152) 6.401 5.088 ( 12.557 -2.504 25.534) 28.565 5.761 ( -6.477 6.472 -9.900) 13.484 6.456 ( 1.947 8.112 -8.214) 11.707 6.781 ( 0.851 11.980 -18.086) 21.710 6.851 ( -3.957 9.633 -13.396) 16.968 7.423 ( 2.264 -12.768 4.396) 13.692 7.530 ( -0.544 -19.299 -0.399) 19.310 8.053 ( 2.917 5.108 19.970) 20.819 8.502 ( 8.746 7.210 -2.797) 11.674 8.654 ( 6.440 0.281 2.212) 6.815 8.766 ( -0.202 -3.366 -1.830) 3.837 8.985 ( 4.774 0.821 0.873) 4.922 9.162 ( -9.437 -0.262 -5.667) 11.011 9.787 ( 1.559 -0.414 4.694) 4.963 9.913 ( 5.269 -0.173 0.054) 5.272 10.197 ( 2.856 -0.101 0.135) 2.861 10.338 ( -11.901 -0.104 -5.737) 13.212 11.559 ( -1.796 -1.431 3.236) 3.968 11.639 ( -1.055 -0.969 -0.343) 1.473 11.686 ( -4.404 -1.384 1.484) 4.849 11.855 ( 3.927 4.204 -0.295) 5.760 11.973 ( 7.400 -4.210 7.809) 11.553 12.385 ( -15.196 0.917 16.511) 22.458 12.726 ( 17.868 -1.204 -14.555) 23.077 13.226 ( -18.205 0.859 -15.025) 23.621 14.786 ( -8.391 -0.198 4.407) 9.479 14.908 ( -6.238 1.644 -0.114) 6.451 16.811 ( 1.313 0.256 0.717) 1.518 16.966 ( -3.935 3.485 -4.408) 6.860 17.132 ( -1.162 1.189 7.943) 8.115 17.420 ( 3.977 -0.098 -2.777) 4.852 19.076 ( 3.765 -0.895 0.809) 3.954 19.138 ( 4.323 -2.162 -1.365) 5.022 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.098 0.019 4.017) 4.018 1.866 ( -1.761 -0.151 -2.758) 3.276 2.356 ( -1.612 2.284 3.629) 4.581 2.562 ( -3.072 0.145 -3.822) 4.906 3.050 ( 9.897 3.956 3.742) 11.296 3.135 ( 1.562 -0.521 0.029) 1.647 3.210 ( -2.239 4.861 0.201) 5.356 3.495 ( 0.407 3.736 -9.410) 10.133 3.599 ( -2.837 1.246 -2.734) 4.132 3.677 ( 1.239 4.530 -8.720) 9.904 4.147 ( -6.540 -6.388 5.378) 10.606 4.272 ( -4.512 -11.392 5.236) 13.324 4.716 ( -5.209 -11.067 16.470) 20.515 4.813 ( -1.004 -0.350 -1.460) 1.806 5.094 ( 11.248 2.493 -4.544) 12.384 5.276 ( 5.283 -1.051 22.801) 23.429 5.543 ( -10.876 7.374 -4.974) 14.050 6.279 ( -9.728 14.514 0.821) 17.492 6.619 ( -11.527 1.432 -11.051) 16.033 6.781 ( -0.586 6.764 -29.680) 30.447 7.469 ( -6.483 -13.375 4.846) 15.633 7.559 ( -9.643 -19.193 0.461) 21.484 8.009 ( -3.991 5.329 18.381) 19.550 8.493 ( -3.566 8.134 -4.559) 9.984 8.674 ( -4.026 0.546 2.713) 4.886 8.768 ( -2.393 -3.063 -0.409) 3.908 9.001 ( -3.755 1.538 0.301) 4.069 9.168 ( 11.244 -0.250 -7.071) 13.285 9.831 ( 2.709 0.461 6.723) 7.263 9.992 ( 3.697 2.210 -0.565) 4.344 10.203 ( -1.940 0.050 -0.191) 1.950 10.344 ( 12.391 0.047 -5.621) 13.607 11.555 ( -1.344 -1.402 2.146) 2.894 11.633 ( 0.407 -2.399 -1.910) 3.093 11.712 ( 6.511 1.830 5.254) 8.564 11.964 ( 12.574 4.064 -3.268) 13.613 12.160 ( -5.605 2.104 9.715) 11.411 12.266 ( 18.218 -2.438 16.824) 24.917 12.862 ( -15.562 2.679 -14.235) 21.261 13.115 ( 18.279 -2.424 -15.348) 23.991 14.633 ( -9.145 -4.558 5.396) 11.555 14.786 ( -6.308 -1.339 -0.215) 6.452 16.792 ( -2.891 -1.177 -2.333) 3.896 16.847 ( -6.739 1.466 -3.013) 7.526 17.124 ( 0.794 1.699 10.140) 10.312 17.488 ( 3.607 2.247 -4.505) 6.193 19.109 ( -0.863 -0.623 1.466) 1.812 19.198 ( 0.862 -0.841 -1.700) 2.084 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 0.108 0.125 2.877) 2.882 1.822 ( -3.147 -0.783 -2.276) 3.962 2.277 ( -4.955 1.950 3.723) 6.497 2.468 ( -6.506 0.421 -3.034) 7.191 3.014 ( -4.544 13.847 3.118) 14.903 3.110 ( -5.798 3.699 2.136) 7.202 3.199 ( 1.573 0.936 -1.218) 2.199 3.420 ( -5.020 -1.142 -6.056) 7.949 3.452 ( -12.446 5.144 -2.527) 13.702 3.535 ( -6.064 8.811 -6.993) 12.779 4.128 ( -9.178 -5.905 1.226) 10.982 4.161 ( -7.225 -8.304 3.191) 11.461 4.648 ( -10.966 -12.247 12.636) 20.734 4.821 ( 1.467 0.607 4.700) 4.961 5.182 ( -6.294 13.127 15.870) 21.536 5.309 ( 3.170 1.778 1.615) 3.977 5.379 ( 0.024 -4.093 -6.489) 7.672 5.984 ( -12.701 6.474 1.772) 14.365 6.358 ( -15.432 -1.348 -15.260) 21.745 6.672 ( -7.762 2.888 -25.777) 27.075 7.359 ( -13.784 -12.863 5.712) 19.699 7.433 ( -16.214 -19.568 1.160) 25.439 7.832 ( -10.414 6.011 15.495) 19.613 8.274 ( -13.589 8.926 -4.818) 16.957 8.514 ( -11.143 1.311 5.163) 12.351 8.714 ( -5.293 -4.193 -1.981) 7.037 8.980 ( 2.932 1.005 5.102) 5.970 9.407 ( 12.210 1.169 -13.210) 18.027 9.909 ( 8.206 2.721 7.387) 11.372 10.048 ( 5.432 4.217 -0.709) 6.913 10.254 ( 6.591 0.601 5.625) 8.686 10.639 ( 17.124 0.167 -9.646) 19.654 11.535 ( -0.662 -2.172 2.794) 3.600 11.687 ( 3.788 -1.597 -3.862) 5.641 11.921 ( 17.284 4.882 9.526) 20.330 12.044 ( -1.379 1.539 5.287) 5.676 12.319 ( 23.437 9.260 -6.175) 25.946 12.558 ( -10.359 3.276 -11.112) 15.541 12.692 ( 21.413 -1.524 16.526) 27.092 13.491 ( 18.564 -1.960 -13.915) 23.283 14.505 ( -9.449 -11.497 6.232) 16.134 14.689 ( -6.408 -6.416 -0.471) 9.081 16.686 ( -9.844 -0.221 -1.565) 9.970 16.729 ( -5.579 -4.297 -4.677) 8.453 17.127 ( 0.486 1.554 10.771) 10.894 17.521 ( 1.865 4.018 -5.283) 6.895 19.051 ( -5.076 0.762 2.326) 5.635 19.177 ( -3.139 0.957 -2.219) 3.961 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.360 0.306 0.603) 0.766 1.753 ( -4.671 -0.576 -1.800) 5.039 2.153 ( -6.719 0.932 3.536) 7.650 2.308 ( -9.305 2.414 -1.437) 9.720 2.776 ( -10.480 14.259 3.158) 17.975 2.915 ( -10.146 4.771 1.329) 11.290 2.977 ( -20.070 8.682 -2.474) 22.006 3.226 ( -7.342 7.254 -10.106) 14.445 3.377 ( -0.787 1.702 -1.183) 2.217 3.413 ( -2.003 -1.204 -0.682) 2.434 3.836 ( -17.323 2.681 6.593) 18.728 4.079 ( -11.078 -4.309 -8.282) 14.487 4.431 ( -17.472 -5.480 14.318) 23.244 4.805 ( -6.131 2.296 9.588) 11.610 4.964 ( -2.423 8.637 23.409) 25.068 5.277 ( -7.427 -9.933 -6.549) 14.025 5.463 ( 4.457 6.853 -9.692) 12.680 5.715 ( -14.952 -3.367 0.087) 15.327 6.060 ( -17.328 -3.506 -17.499) 24.875 6.462 ( -12.275 -0.192 -21.560) 24.810 7.135 ( -17.224 -11.108 8.789) 22.300 7.231 ( -17.682 -17.434 1.909) 24.905 7.553 ( -14.557 2.111 9.648) 17.591 7.859 ( -22.774 9.456 -3.453) 24.900 8.274 ( -11.475 3.317 8.916) 14.906 8.641 ( -5.203 -5.084 -4.654) 8.636 9.097 ( 9.460 0.266 7.609) 12.143 9.577 ( 7.054 1.922 -10.625) 12.898 10.148 ( 18.680 5.089 1.906) 19.454 10.176 ( 11.507 5.143 -0.477) 12.613 10.413 ( 10.435 1.775 8.587) 13.630 10.924 ( 11.042 0.187 -11.814) 16.171 11.588 ( 4.795 -2.336 1.862) 5.649 11.809 ( 8.619 -0.470 -5.571) 10.274 12.028 ( 1.215 0.976 2.522) 2.964 12.282 ( 22.921 8.684 10.687) 26.740 12.386 ( -1.002 4.651 -8.065) 9.364 12.728 ( 24.596 15.251 -5.447) 29.449 13.135 ( 22.750 -1.038 15.615) 27.613 13.833 ( 15.809 -1.830 -11.792) 19.807 14.452 ( -5.855 -19.505 6.212) 21.291 14.634 ( -5.660 -13.000 -0.369) 14.184 16.463 ( -14.178 -1.148 0.745) 14.244 16.636 ( -8.693 -8.682 -7.300) 14.291 17.118 ( -0.824 0.505 10.257) 10.302 17.501 ( -1.354 4.014 -5.368) 6.838 18.911 ( -8.160 2.888 2.965) 9.150 19.061 ( -7.536 3.437 -2.532) 8.662 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -6.019 1.908 -0.608) 6.343 1.697 ( 0.603 1.100 -2.801) 3.069 2.016 ( -7.893 0.254 3.420) 8.606 2.078 ( -11.517 6.648 2.469) 13.525 2.415 ( -20.894 6.217 -1.113) 21.828 2.534 ( -14.781 13.241 0.936) 19.866 2.705 ( -8.459 5.893 -0.920) 10.351 2.995 ( -8.959 10.464 -15.661) 20.858 3.355 ( -3.202 3.387 5.435) 7.161 3.399 ( -2.069 6.548 0.651) 6.898 3.489 ( -13.054 -2.591 6.198) 14.681 3.828 ( -16.125 -2.792 -4.867) 17.073 4.089 ( -17.011 2.787 15.403) 23.117 4.561 ( -14.733 1.444 16.453) 22.132 4.977 ( 2.689 0.808 9.884) 10.275 5.150 ( -13.481 -10.594 -5.350) 17.961 5.395 ( -6.833 7.369 -9.675) 13.950 5.448 ( -16.507 -7.448 -4.388) 18.633 5.742 ( -17.984 -2.868 -18.819) 26.187 6.256 ( -8.529 -0.324 -18.453) 20.332 6.835 ( -20.487 -0.058 8.370) 22.131 6.962 ( -19.027 -8.710 3.891) 21.284 7.279 ( -20.255 -1.062 7.100) 21.490 7.427 ( -11.134 -9.053 -0.591) 14.362 8.053 ( -8.203 5.484 12.123) 15.631 8.588 ( -3.539 -4.120 -7.590) 9.333 9.311 ( 11.864 -0.656 7.137) 13.861 9.685 ( 5.954 1.511 -6.427) 8.890 10.407 ( 15.572 5.304 0.089) 16.450 10.482 ( 18.529 6.468 -1.093) 19.656 10.630 ( 14.504 3.327 6.681) 16.311 11.033 ( 1.675 0.614 -11.047) 11.190 11.730 ( 7.603 -1.932 -0.230) 7.848 12.014 ( 12.237 1.295 -6.357) 13.851 12.078 ( 5.234 1.325 2.842) 6.101 12.453 ( 12.788 3.017 -7.160) 14.964 12.657 ( 19.557 11.555 11.964) 25.673 12.989 ( 11.834 13.607 -1.222) 18.075 13.565 ( 21.794 0.919 12.267) 25.026 14.114 ( 12.338 -1.938 -9.212) 15.519 14.587 ( 6.894 -20.719 3.552) 22.123 14.668 ( -0.917 -18.780 0.842) 18.821 16.156 ( -18.896 -1.409 3.940) 19.353 16.517 ( -11.170 -13.142 -10.958) 20.435 17.079 ( -4.024 -1.551 9.275) 10.228 17.406 ( -7.226 1.093 -4.462) 8.563 18.719 ( -8.147 5.932 2.585) 10.405 18.848 ( -11.029 6.716 -2.175) 13.095 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -6.896 6.204 4.054) 10.124 1.634 ( -11.365 8.667 1.048) 14.331 1.791 ( -6.961 2.490 0.326) 7.400 1.811 ( -12.678 7.353 6.088) 15.870 2.062 ( -9.457 1.903 -1.203) 9.721 2.233 ( -9.918 9.128 -0.918) 13.511 2.517 ( -6.883 6.723 -7.792) 12.381 2.782 ( -6.163 9.523 -17.056) 20.484 2.987 ( -20.724 14.648 14.361) 29.160 3.313 ( -3.662 4.650 10.471) 12.028 3.484 ( -0.473 -7.816 3.145) 8.439 3.541 ( -10.805 -0.578 1.895) 10.985 3.872 ( -3.175 3.155 5.534) 7.117 4.256 ( -17.626 -3.225 11.484) 21.283 4.850 ( -17.822 -5.701 -10.680) 21.545 5.047 ( -2.192 -2.761 4.609) 5.803 5.139 ( -15.077 0.373 -2.528) 15.292 5.205 ( -13.568 -7.878 -6.609) 17.025 5.449 ( -12.214 0.515 -20.092) 23.519 6.141 ( -3.291 3.759 -15.741) 16.515 6.388 ( -21.275 6.212 1.942) 22.248 6.533 ( -24.996 5.453 -2.121) 25.672 7.051 ( -6.997 -11.766 22.339) 26.199 7.416 ( -3.942 -16.442 -0.161) 16.909 7.913 ( -2.853 3.006 12.447) 13.119 8.560 ( -1.690 -2.708 -10.275) 10.759 9.527 ( 9.400 -1.651 5.145) 10.842 9.786 ( 5.096 0.490 -4.450) 6.783 10.660 ( 13.559 5.023 0.215) 14.461 10.739 ( 12.813 5.906 1.413) 14.179 10.915 ( 17.192 5.481 3.383) 18.359 11.045 ( 2.296 2.147 -5.905) 6.690 11.873 ( 6.312 -1.339 -4.570) 7.907 12.128 ( 3.302 4.899 -12.351) 13.691 12.321 ( 17.754 -0.765 11.716) 21.285 12.744 ( 3.862 -0.728 3.928) 5.557 12.833 ( 15.184 1.807 1.927) 15.412 13.054 ( 4.695 8.682 0.862) 9.908 13.913 ( 13.853 -0.403 10.727) 17.525 14.324 ( 8.298 -0.389 -5.629) 10.035 14.886 ( 11.931 -18.127 2.100) 21.802 14.979 ( 21.530 -10.464 -1.229) 23.970 15.776 ( -20.902 -1.731 8.691) 22.703 16.393 ( -11.260 -14.425 -15.889) 24.234 16.971 ( -10.289 -6.269 8.435) 14.708 17.193 ( -16.511 -4.191 -2.170) 17.172 18.540 ( -7.207 10.988 0.306) 13.144 18.583 ( -7.347 9.319 -1.449) 11.955 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -18.991 8.351 19.315) 28.345 1.374 ( -7.895 14.437 13.965) 21.582 1.546 ( -2.361 10.951 8.243) 13.908 1.779 ( 0.950 2.595 -5.275) 5.955 1.913 ( -7.095 1.544 -2.488) 7.675 2.028 ( -6.218 6.480 3.864) 9.776 2.328 ( -12.231 9.846 -6.833) 17.125 2.497 ( -10.128 17.915 14.675) 25.276 2.644 ( -4.340 4.654 -23.323) 24.176 3.226 ( -1.228 3.490 17.525) 17.911 3.457 ( 1.654 -2.853 0.357) 3.317 3.571 ( 2.735 -5.501 -0.498) 6.163 3.856 ( 1.141 6.302 5.985) 8.765 3.953 ( -15.930 -9.071 1.833) 18.422 4.559 ( -13.643 -3.483 -12.171) 18.612 4.877 ( -11.564 -3.868 2.289) 12.407 4.936 ( -10.032 -7.050 -0.944) 12.297 5.098 ( -4.402 -5.515 -23.619) 24.650 5.300 ( -2.306 3.463 -4.127) 5.860 5.946 ( -13.373 7.905 1.193) 15.580 6.075 ( -13.584 6.071 -4.007) 15.409 6.126 ( -4.176 6.106 -14.215) 16.025 7.045 ( -2.699 -9.547 29.224) 30.862 7.443 ( -2.295 -11.074 2.610) 11.607 7.906 ( 0.848 -3.747 8.461) 9.293 8.559 ( -0.295 -2.672 -12.111) 12.405 9.678 ( 4.850 -2.593 3.527) 6.533 9.865 ( 3.018 -0.530 -3.627) 4.748 10.847 ( 8.985 5.223 -0.235) 10.395 10.899 ( 7.926 4.519 4.873) 10.344 11.076 ( 6.432 4.629 2.750) 8.389 11.222 ( 15.452 4.643 5.643) 17.092 11.975 ( -1.588 0.282 -9.259) 9.398 12.081 ( -2.778 1.783 -9.174) 9.750 12.587 ( -11.163 -10.974 15.349) 21.923 12.694 ( 15.042 -3.596 13.143) 20.296 13.049 ( -1.576 2.351 0.257) 2.842 13.252 ( 21.330 0.150 -6.696) 22.357 14.097 ( 4.227 -4.892 10.388) 12.236 14.423 ( 2.355 0.197 -3.585) 4.294 15.250 ( -9.413 0.063 2.649) 9.779 15.336 ( 22.863 -6.797 -0.211) 23.853 15.667 ( 22.151 -4.374 7.808) 23.890 16.257 ( -11.718 -5.992 -14.850) 19.843 16.788 ( -16.375 -20.531 3.842) 26.541 16.835 ( -23.926 -7.197 0.614) 24.992 18.271 ( -7.988 15.538 2.043) 17.590 18.516 ( 3.880 10.750 -8.094) 14.005 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.000 7.387 30.514) 31.396 1.153 ( -0.000 18.816 24.243) 30.688 1.506 ( -0.000 13.717 5.724) 14.864 1.764 ( -0.000 15.701 18.731) 24.441 1.786 ( -0.000 1.855 -6.809) 7.057 1.917 ( 0.000 -1.732 5.304) 5.580 2.024 ( -0.000 14.038 1.883) 14.164 2.376 ( -0.000 10.448 -4.778) 11.488 2.589 ( 0.000 -0.400 -25.145) 25.148 3.201 ( -0.000 2.656 17.627) 17.826 3.573 ( 0.000 -6.961 -8.187) 10.746 3.639 ( -0.000 0.701 -8.761) 8.789 3.695 ( 0.000 -0.458 20.915) 20.920 3.916 ( 0.000 -3.227 -4.969) 5.925 4.441 ( 0.000 -3.172 -12.844) 13.229 4.794 ( 0.000 -5.642 3.897) 6.857 4.875 ( 0.000 -6.808 -0.615) 6.836 5.086 ( 0.000 -5.490 -35.703) 36.122 5.267 ( -0.000 3.604 5.435) 6.521 5.744 ( -0.000 7.744 3.108) 8.345 5.892 ( -0.000 5.488 -2.359) 5.974 6.058 ( -0.000 8.372 -16.085) 18.133 7.058 ( 0.000 -3.713 32.527) 32.738 7.495 ( 0.000 -11.401 3.427) 11.905 7.948 ( 0.000 -4.104 6.167) 7.408 8.580 ( 0.000 -3.698 -12.832) 13.355 9.744 ( 0.000 -3.183 2.858) 4.277 9.901 ( 0.000 -1.265 -3.125) 3.372 10.888 ( -0.000 6.863 0.190) 6.866 10.952 ( -0.000 5.550 -0.480) 5.571 11.163 ( -0.000 1.108 9.430) 9.495 11.505 ( 0.000 -1.382 8.670) 8.780 11.697 ( -0.000 0.376 5.425) 5.438 12.117 ( -0.000 0.380 -12.220) 12.226 12.533 ( 0.000 -15.519 18.794) 24.373 12.955 ( 0.000 -0.424 14.207) 14.214 12.972 ( 0.000 -5.490 -0.889) 5.561 13.493 ( 0.000 -0.454 -7.762) 7.775 14.168 ( 0.000 -6.439 8.349) 10.544 14.439 ( 0.000 -0.092 -3.733) 3.735 15.078 ( -0.000 1.248 11.222) 11.291 15.698 ( -0.000 0.122 -10.422) 10.423 16.047 ( -0.000 0.082 2.246) 2.248 16.161 ( 0.000 -0.014 -1.904) 1.904 16.443 ( 0.000 -13.223 8.439) 15.686 16.798 ( 0.000 -28.862 -5.556) 29.392 18.078 ( -0.000 17.666 3.385) 17.988 18.502 ( -0.000 13.260 -16.918) 21.495 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 0.416 0.000 4.136) 4.157 1.884 ( 0.141 0.000 -3.344) 3.347 2.379 ( 2.311 0.000 3.161) 3.916 2.593 ( 0.150 0.000 -4.672) 4.674 2.772 ( 19.548 0.000 4.941) 20.163 3.013 ( 8.553 0.000 -4.343) 9.593 3.304 ( 0.710 0.000 -0.530) 0.886 3.410 ( 9.454 0.000 -1.538) 9.578 3.522 ( 14.433 0.000 -7.448) 16.241 3.638 ( 1.348 0.000 -9.087) 9.187 4.158 ( 2.032 0.000 4.839) 5.249 4.238 ( -5.928 -0.000 2.403) 6.397 4.671 ( -0.791 -0.000 14.195) 14.217 4.838 ( -2.352 -0.000 -3.278) 4.035 4.960 ( 3.542 0.000 4.609) 5.813 5.070 ( 13.151 0.000 27.485) 30.469 5.805 ( -6.594 -0.000 -11.756) 13.479 6.502 ( 4.171 0.000 -11.906) 12.616 6.901 ( 2.165 0.000 -19.723) 19.842 6.940 ( -11.360 -0.000 -5.301) 12.536 7.320 ( 2.730 0.000 2.273) 3.552 7.363 ( 1.951 0.000 -0.140) 1.956 8.087 ( 2.089 0.000 20.799) 20.904 8.551 ( 9.148 0.000 -1.877) 9.339 8.663 ( 6.965 0.000 1.250) 7.077 8.734 ( -1.005 -0.000 -1.899) 2.149 8.991 ( 5.086 0.000 0.812) 5.150 9.160 ( -9.663 -0.000 -5.294) 11.018 9.785 ( 1.596 0.000 4.560) 4.831 9.912 ( 6.134 0.000 0.030) 6.134 10.196 ( 2.946 0.000 0.141) 2.949 10.337 ( -11.841 -0.000 -5.766) 13.171 11.549 ( -1.369 -0.000 2.995) 3.293 11.629 ( -2.707 -0.000 -1.351) 3.025 11.680 ( -2.336 -0.000 2.687) 3.561 11.900 ( -0.123 -0.000 -6.685) 6.686 11.928 ( 11.737 0.000 14.291) 18.493 12.391 ( -15.013 -0.000 16.476) 22.290 12.718 ( 18.087 0.000 -14.621) 23.258 13.232 ( -18.287 -0.000 -14.985) 23.642 14.784 ( -9.483 -0.000 4.560) 10.522 14.918 ( -7.169 -0.000 -0.410) 7.181 16.812 ( 1.065 0.000 1.148) 1.566 16.991 ( -5.141 -0.000 -5.026) 7.189 17.141 ( -0.958 -0.000 7.962) 8.019 17.419 ( 4.807 0.000 -2.384) 5.366 19.070 ( 3.715 0.000 0.580) 3.760 19.122 ( 5.010 0.000 -1.216) 5.155 ======================= Grid point 218 (80/147) ======================= q-point: ( 0.31 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.157 0.008 3.985) 3.988 1.865 ( -2.012 -0.042 -2.803) 3.450 2.381 ( -1.706 1.125 3.105) 3.717 2.562 ( -3.260 0.006 -3.707) 4.936 3.074 ( 11.339 0.555 1.470) 11.448 3.126 ( 3.267 -0.782 -0.967) 3.496 3.297 ( 0.124 6.019 2.076) 6.368 3.524 ( 1.195 0.580 -5.234) 5.400 3.586 ( -4.941 -1.930 -3.412) 6.308 3.766 ( 9.403 6.293 -12.563) 16.907 4.065 ( -11.313 -5.050 4.165) 13.070 4.142 ( -5.299 -6.164 5.153) 9.625 4.611 ( -6.784 -4.219 17.922) 19.622 4.809 ( -0.436 -0.173 -1.368) 1.446 5.117 ( 11.984 0.948 -4.886) 12.976 5.255 ( 5.502 -1.134 22.392) 23.085 5.622 ( -11.133 3.396 -5.243) 12.765 6.441 ( -8.500 7.250 -1.437) 11.264 6.648 ( -15.959 2.731 -4.461) 16.794 6.874 ( -2.656 5.495 -29.179) 29.810 7.320 ( -5.575 -7.439 1.530) 9.421 7.343 ( -8.396 -10.891 0.399) 13.757 8.056 ( -4.611 1.797 19.336) 19.959 8.572 ( -4.665 3.354 -4.985) 7.606 8.686 ( -3.760 1.312 2.271) 4.585 8.727 ( -2.230 -2.814 0.636) 3.646 9.017 ( -4.460 0.714 -0.010) 4.517 9.165 ( 12.301 -0.196 -6.820) 14.067 9.835 ( 3.471 0.142 7.164) 7.962 10.013 ( 4.644 0.876 -0.794) 4.792 10.204 ( -1.864 0.017 -0.257) 1.882 10.344 ( 12.424 0.015 -5.639) 13.644 11.542 ( -1.627 -0.518 2.040) 2.660 11.611 ( 1.309 -0.859 -2.388) 2.856 11.729 ( 7.352 0.653 5.752) 9.357 12.002 ( 12.621 1.523 -3.288) 13.131 12.179 ( -5.579 0.820 9.822) 11.326 12.242 ( 19.690 -1.074 16.950) 26.002 12.889 ( -16.519 1.178 -14.372) 21.928 13.090 ( 19.584 -1.097 -15.289) 24.870 14.590 ( -11.376 -1.753 5.909) 12.938 14.773 ( -8.123 -0.524 -0.782) 8.178 16.782 ( -3.820 -0.402 -1.888) 4.280 16.861 ( -7.870 0.595 -3.375) 8.583 17.143 ( 0.907 0.887 10.153) 10.232 17.511 ( 4.551 0.949 -4.501) 6.471 19.102 ( -0.478 -0.339 1.399) 1.517 19.188 ( 1.588 -0.479 -1.664) 2.349 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.155 0.082 2.866) 2.871 1.814 ( -3.364 -0.426 -2.090) 3.984 2.303 ( -5.271 1.656 3.185) 6.377 2.471 ( -6.188 0.108 -2.981) 6.870 3.134 ( -2.544 2.319 1.110) 3.617 3.193 ( -2.240 3.552 0.277) 4.208 3.214 ( -0.100 7.564 0.655) 7.593 3.399 ( -7.845 -0.249 -0.144) 7.851 3.507 ( -9.236 2.428 -5.996) 11.276 3.681 ( -7.323 11.481 -4.469) 14.332 4.005 ( -3.540 -10.814 -4.805) 12.351 4.063 ( -7.503 -6.804 5.843) 11.693 4.493 ( -9.977 -9.646 13.453) 19.328 4.822 ( 1.233 -0.283 3.422) 3.648 5.278 ( -5.617 -2.627 -1.635) 6.413 5.326 ( 1.778 7.130 8.932) 11.566 5.389 ( 0.711 2.623 1.914) 3.324 6.120 ( -15.973 12.250 1.326) 20.173 6.333 ( -17.448 -2.677 -6.267) 18.731 6.727 ( -9.339 4.754 -28.089) 29.980 7.190 ( -15.733 -15.262 1.032) 21.944 7.206 ( -12.528 -10.006 1.091) 16.071 7.893 ( -10.818 3.057 16.787) 20.203 8.365 ( -14.459 4.672 -4.646) 15.889 8.536 ( -9.929 2.042 3.763) 10.813 8.656 ( -6.574 -4.165 -0.599) 7.805 8.992 ( 2.567 0.739 4.971) 5.643 9.419 ( 12.804 0.618 -13.434) 18.569 9.938 ( 9.339 1.527 7.943) 12.355 10.093 ( 5.777 2.446 -0.974) 6.349 10.260 ( 7.098 0.341 5.448) 8.954 10.640 ( 17.166 0.078 -9.626) 19.681 11.512 ( -0.701 -1.213 2.721) 3.060 11.670 ( 4.331 -0.866 -5.167) 6.798 11.973 ( 19.040 2.875 10.493) 21.929 12.059 ( -1.987 0.711 6.959) 7.272 12.420 ( 26.867 5.628 -6.988) 28.326 12.593 ( -9.057 1.775 -10.419) 13.919 12.676 ( 20.609 -0.871 15.512) 25.809 13.469 ( 18.869 -1.194 -13.879) 23.454 14.380 ( -13.378 -6.997 7.336) 16.785 14.620 ( -9.202 -3.719 -1.359) 10.018 16.683 ( -8.513 -1.611 -3.663) 9.407 16.686 ( -9.437 -0.872 -2.660) 9.843 17.150 ( 0.470 1.559 11.111) 11.230 17.566 ( 2.237 2.599 -5.690) 6.644 19.056 ( -4.362 0.095 2.367) 4.964 19.184 ( -2.316 0.128 -2.231) 3.218 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 0.408 0.142 0.848) 0.952 1.744 ( -4.239 -0.642 -1.344) 4.493 2.169 ( -7.379 1.305 3.484) 8.264 2.328 ( -8.464 0.844 -1.948) 8.726 2.942 ( -15.938 8.543 0.209) 18.085 2.979 ( -10.006 6.232 3.681) 12.349 3.082 ( -14.013 6.487 -2.305) 15.613 3.296 ( -4.302 2.895 -4.947) 7.167 3.340 ( -3.177 -2.490 1.367) 4.261 3.479 ( -5.742 7.233 -1.647) 9.381 3.866 ( -11.563 1.802 6.234) 13.259 4.003 ( -7.557 -7.143 -11.403) 15.432 4.333 ( -13.873 -8.330 10.471) 19.274 4.815 ( -5.000 -0.616 3.834) 6.331 5.082 ( -6.187 6.741 15.101) 17.657 5.186 ( -9.212 -2.396 6.994) 11.812 5.541 ( 6.501 4.773 -11.004) 13.643 5.737 ( -17.042 6.035 1.817) 18.170 6.010 ( -18.682 -4.341 -9.678) 21.483 6.474 ( -13.607 1.730 -23.500) 27.211 6.982 ( -16.524 -18.285 1.586) 24.696 6.994 ( -15.568 -9.427 2.371) 18.354 7.601 ( -17.270 3.679 11.989) 21.344 7.958 ( -24.154 5.470 -2.891) 24.934 8.320 ( -9.877 3.719 6.319) 12.301 8.566 ( -5.812 -5.971 -2.655) 8.745 9.103 ( 9.063 0.429 7.885) 12.020 9.600 ( 7.188 1.494 -10.803) 13.061 10.206 ( 19.556 3.503 1.805) 19.949 10.234 ( 11.345 3.484 -0.668) 11.887 10.434 ( 11.133 1.308 8.383) 13.997 10.925 ( 10.970 0.082 -11.452) 15.859 11.561 ( 4.939 -1.691 1.813) 5.527 11.805 ( 9.826 -0.167 -8.536) 13.017 12.038 ( 0.809 0.543 4.943) 5.038 12.378 ( 18.701 5.379 7.783) 20.958 12.450 ( 5.924 4.915 -2.856) 8.210 12.921 ( 27.893 13.368 -5.399) 31.399 13.123 ( 23.885 -0.808 14.094) 27.745 13.811 ( 15.624 -1.485 -11.906) 19.699 14.209 ( -10.485 -16.387 7.807) 20.962 14.482 ( -9.365 -9.605 -1.576) 13.507 16.451 ( -14.395 -0.690 -0.981) 14.445 16.532 ( -11.618 -6.660 -5.406) 14.442 17.136 ( -0.940 1.714 10.412) 10.594 17.551 ( -2.202 3.247 -6.058) 7.217 18.939 ( -7.193 1.412 3.049) 7.939 19.095 ( -6.418 1.666 -2.639) 7.137 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -4.467 0.706 -0.458) 4.546 1.701 ( 0.583 -0.111 -2.052) 2.136 2.017 ( -7.891 0.242 4.080) 8.887 2.137 ( -10.485 2.667 0.596) 10.835 2.497 ( -23.626 5.874 -2.067) 24.433 2.686 ( -14.887 8.014 -2.699) 17.121 2.792 ( -10.044 8.414 6.632) 14.685 3.119 ( -9.128 7.020 -10.104) 15.319 3.336 ( -1.378 -6.374 2.251) 6.899 3.397 ( -2.490 2.072 5.242) 6.163 3.615 ( -9.152 11.740 4.329) 15.502 3.798 ( -15.737 -0.947 -12.420) 20.070 4.097 ( -12.671 -1.275 10.312) 16.387 4.591 ( -15.698 1.944 12.138) 19.938 4.991 ( -8.382 -1.439 2.938) 8.998 5.048 ( -2.471 -1.383 8.057) 8.540 5.386 ( -17.122 -0.733 1.386) 17.193 5.485 ( -10.199 5.354 -12.533) 17.022 5.692 ( -17.511 -4.907 -12.398) 22.010 6.261 ( -6.273 1.105 -19.645) 20.652 6.770 ( -14.008 -7.948 5.283) 16.950 6.809 ( -14.638 -14.848 1.811) 20.929 7.231 ( -18.569 -2.190 7.089) 19.996 7.420 ( -26.290 3.530 -0.195) 26.527 8.124 ( -7.399 5.324 9.695) 13.308 8.521 ( -3.112 -5.779 -5.163) 8.351 9.306 ( 11.515 -0.094 7.785) 13.900 9.706 ( 5.572 1.622 -6.535) 8.740 10.470 ( 15.250 4.023 0.012) 15.772 10.559 ( 18.320 5.055 -0.929) 19.027 10.669 ( 15.397 2.463 6.252) 16.799 11.040 ( 2.362 0.422 -10.831) 11.093 11.705 ( 8.024 -1.736 0.036) 8.210 12.033 ( 13.540 1.531 -8.689) 16.161 12.092 ( 5.648 0.779 3.451) 6.664 12.491 ( 11.568 2.677 -7.406) 13.994 12.816 ( 18.506 12.030 15.565) 27.009 13.159 ( 6.515 11.523 3.661) 13.734 13.595 ( 23.997 4.045 8.473) 25.768 14.078 ( 11.241 -3.740 -9.764) 15.352 14.323 ( 12.314 -18.924 2.011) 22.667 14.435 ( -2.399 -15.645 0.313) 15.831 16.139 ( -18.921 -1.077 1.218) 18.990 16.339 ( -14.902 -12.798 -7.172) 20.912 17.081 ( -4.111 1.289 8.317) 9.367 17.426 ( -9.584 1.663 -5.150) 11.006 18.781 ( -7.068 3.410 2.667) 8.289 18.921 ( -9.480 4.266 -2.469) 10.684 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -3.903 4.014 2.232) 6.027 1.684 ( -7.409 0.805 -2.404) 7.831 1.816 ( -11.598 2.527 5.518) 13.090 1.900 ( -9.371 4.605 4.886) 11.528 2.092 ( -12.770 2.287 -2.516) 13.215 2.357 ( -13.097 9.070 0.224) 15.933 2.563 ( -10.322 1.281 0.076) 10.402 2.909 ( -7.407 8.097 -12.850) 16.898 3.214 ( -11.365 15.320 8.658) 20.948 3.363 ( -0.756 -5.892 4.558) 7.487 3.433 ( -1.358 11.424 2.605) 11.796 3.510 ( -12.335 -2.923 -2.055) 12.842 3.923 ( -3.896 3.628 3.348) 6.289 4.259 ( -16.216 3.297 13.774) 21.530 4.766 ( -16.276 -5.995 -8.833) 19.465 5.025 ( -4.625 -0.015 3.911) 6.057 5.105 ( -12.048 -5.405 -0.321) 13.209 5.163 ( -18.885 1.096 -7.730) 20.435 5.436 ( -10.718 -3.058 -12.706) 16.901 6.190 ( -0.937 3.959 -17.105) 17.582 6.454 ( -20.267 3.087 2.185) 20.617 6.569 ( -19.274 -0.567 -0.947) 19.306 6.916 ( -12.534 -7.756 15.059) 21.072 7.176 ( -5.423 -18.531 0.143) 19.309 7.973 ( -4.450 5.686 12.397) 14.346 8.515 ( -1.198 -4.177 -7.794) 8.923 9.512 ( 9.128 -0.717 5.863) 10.873 9.796 ( 4.600 1.007 -4.560) 6.554 10.721 ( 12.880 4.304 0.388) 13.586 10.811 ( 11.936 4.828 2.481) 13.112 10.977 ( 18.001 3.485 3.367) 18.642 11.075 ( 3.609 2.488 -7.229) 8.454 11.856 ( 6.597 -1.319 -3.899) 7.776 12.193 ( 4.826 4.866 -12.704) 14.435 12.315 ( 16.856 -0.104 10.168) 19.685 12.730 ( -5.692 -1.319 6.574) 8.795 12.857 ( 12.870 1.816 1.052) 13.040 13.188 ( 3.016 11.509 1.741) 12.024 13.898 ( 9.029 -2.211 11.162) 14.526 14.320 ( 10.356 -0.205 -5.047) 11.522 14.659 ( 17.484 -15.669 3.467) 23.733 14.867 ( 31.493 -6.494 -5.035) 32.548 15.755 ( -21.355 -1.434 4.829) 21.941 16.157 ( -14.450 -19.354 -10.647) 26.396 16.940 ( -11.038 0.383 5.850) 12.498 17.154 ( -18.807 -1.998 -2.835) 19.124 18.648 ( -3.764 5.531 0.385) 6.701 18.694 ( -9.098 7.500 -1.396) 11.873 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -18.669 8.560 16.236) 26.180 1.511 ( -3.765 7.353 9.157) 12.332 1.640 ( -7.157 3.793 13.737) 15.947 1.814 ( 1.526 2.597 -3.730) 4.794 1.921 ( -5.954 0.445 -3.149) 6.750 2.068 ( -13.722 0.882 8.257) 16.038 2.430 ( -0.787 4.227 -15.395) 15.984 2.720 ( -7.714 6.102 -17.901) 20.425 2.861 ( -6.937 32.558 10.834) 35.007 3.295 ( -1.087 7.402 11.364) 13.606 3.423 ( -0.418 -2.932 -1.936) 3.538 3.462 ( 2.055 -8.861 2.770) 9.508 3.844 ( -9.361 -4.686 7.316) 12.771 3.995 ( -2.231 12.099 3.676) 12.840 4.502 ( -13.286 -4.587 -9.773) 17.120 4.836 ( -13.838 -2.577 -0.289) 14.079 4.848 ( -10.557 -5.907 -0.378) 12.103 5.026 ( -4.038 -5.432 -21.713) 22.744 5.332 ( -1.915 0.936 -1.223) 2.458 6.047 ( -13.504 7.051 1.128) 15.275 6.145 ( -11.284 4.171 -5.354) 13.168 6.202 ( -5.661 5.529 -12.853) 15.093 6.886 ( -1.955 -13.255 22.498) 26.186 7.255 ( -1.166 -18.304 0.681) 18.354 7.890 ( -1.367 2.106 12.444) 12.694 8.525 ( -0.295 -2.827 -10.022) 10.418 9.651 ( 4.656 -1.455 4.145) 6.401 9.863 ( 2.663 0.184 -3.861) 4.694 10.898 ( 8.887 2.956 2.808) 9.778 10.961 ( 6.923 4.662 5.815) 10.173 11.145 ( 6.034 5.243 -0.994) 8.055 11.281 ( 15.291 3.962 5.894) 16.859 11.978 ( 1.148 0.086 -8.302) 8.382 12.093 ( -10.998 -0.239 -2.031) 11.186 12.507 ( -7.383 -1.275 3.075) 8.099 12.658 ( 15.965 -2.092 12.703) 20.509 13.081 ( -7.389 2.506 -2.774) 8.281 13.255 ( 20.519 0.251 -6.950) 21.666 14.028 ( 2.640 -5.110 14.724) 15.807 14.427 ( 2.125 0.358 -2.711) 3.464 15.208 ( 17.978 -5.226 1.216) 18.762 15.303 ( 2.451 0.542 1.888) 3.142 15.622 ( 26.665 -2.438 1.492) 26.818 16.073 ( -8.064 -21.336 -14.352) 26.949 16.615 ( -24.461 -5.548 5.219) 25.620 16.767 ( -23.144 -3.609 -1.581) 23.477 18.457 ( -6.446 12.264 1.303) 13.916 18.613 ( 1.416 4.661 -4.825) 6.857 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -0.000 8.861 27.524) 28.915 1.352 ( -0.000 12.652 24.554) 27.622 1.607 ( -0.000 3.150 17.578) 17.859 1.811 ( -0.000 1.730 -5.306) 5.581 1.864 ( -0.000 3.084 -6.504) 7.198 1.891 ( 0.000 -2.062 4.686) 5.120 2.375 ( -0.000 25.160 -6.441) 25.972 2.583 ( 0.000 -0.499 -25.737) 25.742 2.594 ( -0.000 26.500 6.943) 27.394 3.254 ( -0.000 5.700 16.068) 17.049 3.468 ( 0.000 -5.801 -4.913) 7.601 3.581 ( 0.000 -11.287 -7.561) 13.586 3.688 ( 0.000 -0.583 20.395) 20.403 3.949 ( -0.000 8.977 -3.866) 9.774 4.391 ( 0.000 -4.353 -11.162) 11.981 4.723 ( 0.000 -4.826 2.707) 5.534 4.781 ( 0.000 -7.119 -0.428) 7.132 5.018 ( 0.000 -5.127 -32.910) 33.307 5.309 ( -0.000 2.535 4.454) 5.125 5.848 ( -0.000 7.805 2.425) 8.173 5.967 ( -0.000 5.585 -1.919) 5.906 6.152 ( -0.000 5.758 -16.780) 17.740 6.954 ( 0.000 -11.617 27.157) 29.537 7.346 ( 0.000 -12.922 2.511) 13.163 7.886 ( 0.000 -3.231 9.892) 10.407 8.540 ( 0.000 -2.578 -11.453) 11.739 9.708 ( 0.000 -2.186 3.385) 4.030 9.890 ( 0.000 -0.431 -3.607) 3.633 10.971 ( -0.000 5.083 -1.107) 5.202 11.008 ( -0.000 3.349 6.756) 7.540 11.201 ( -0.000 4.509 7.806) 9.015 11.501 ( -0.000 0.407 13.737) 13.743 11.703 ( -0.000 0.458 5.408) 5.428 12.123 ( -0.000 0.455 -12.292) 12.300 12.441 ( 0.000 -0.141 0.844) 0.855 12.897 ( 0.000 -5.606 -5.080) 7.566 12.949 ( 0.000 -0.511 14.273) 14.283 13.486 ( 0.000 -0.554 -7.731) 7.751 14.083 ( 0.000 -5.948 13.374) 14.637 14.439 ( 0.000 -0.021 -3.082) 3.082 15.092 ( -0.000 1.089 9.022) 9.088 15.696 ( 0.000 -1.149 -9.893) 9.959 16.048 ( -0.000 0.100 2.216) 2.218 16.161 ( 0.000 -0.019 -1.882) 1.882 16.299 ( 0.000 -14.795 -1.652) 14.887 16.428 ( 0.000 -20.919 -2.545) 21.073 18.299 ( -0.000 15.293 3.041) 15.593 18.611 ( -0.000 4.568 -9.892) 10.896 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 0.170 0.000 2.864) 2.869 1.811 ( -3.456 -0.000 -2.039) 4.012 2.315 ( -5.439 -0.000 2.948) 6.186 2.472 ( -6.087 -0.000 -2.951) 6.765 3.152 ( -0.512 -0.000 -0.090) 0.520 3.187 ( 0.814 0.000 -2.107) 2.259 3.293 ( -6.990 -0.000 1.363) 7.122 3.420 ( -7.549 -0.000 3.761) 8.434 3.512 ( -4.887 -0.000 -8.375) 9.696 3.787 ( -12.945 -0.000 9.567) 16.097 3.903 ( -1.943 -0.000 -17.071) 17.181 4.008 ( -2.703 -0.000 4.371) 5.140 4.424 ( -10.457 -0.000 14.291) 17.708 4.819 ( 1.009 0.000 2.820) 2.995 5.259 ( -5.438 -0.000 2.507) 5.988 5.371 ( 13.352 0.000 -9.021) 16.114 5.412 ( -10.620 -0.000 15.078) 18.443 6.244 ( -14.760 -0.000 -0.335) 14.764 6.287 ( -21.004 -0.000 -1.000) 21.028 6.767 ( -10.647 -0.000 -28.952) 30.847 7.076 ( -15.247 -0.000 1.094) 15.286 7.132 ( -11.237 -0.000 -0.560) 11.251 7.913 ( -10.902 -0.000 17.161) 20.331 8.395 ( -15.009 -0.000 -4.337) 15.623 8.557 ( -9.008 -0.000 2.272) 9.290 8.620 ( -7.363 -0.000 0.608) 7.388 8.997 ( 2.416 0.000 4.906) 5.469 9.423 ( 13.035 0.000 -13.499) 18.765 9.948 ( 9.758 0.000 8.160) 12.720 10.110 ( 5.840 0.000 -1.059) 5.935 10.262 ( 7.301 0.000 5.367) 9.062 10.641 ( 17.181 0.000 -9.626) 19.694 11.504 ( -0.718 -0.000 2.693) 2.787 11.664 ( 4.527 0.000 -5.618) 7.215 11.993 ( 19.928 0.000 10.795) 22.664 12.063 ( -2.403 -0.000 7.619) 7.990 12.459 ( 28.571 0.000 -7.277) 29.483 12.604 ( -8.227 -0.000 -9.825) 12.815 12.670 ( 19.690 0.000 14.730) 24.591 13.461 ( 18.999 0.000 -13.859) 23.517 14.332 ( -14.955 -0.000 7.777) 16.856 14.595 ( -10.225 -0.000 -1.724) 10.369 16.667 ( -8.116 -0.000 -3.707) 8.923 16.685 ( -10.792 -0.000 -2.552) 11.089 17.161 ( 0.451 0.000 11.161) 11.170 17.584 ( 2.346 0.000 -5.818) 6.273 19.057 ( -4.102 -0.000 2.373) 4.739 19.184 ( -2.014 -0.000 -2.231) 3.005 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 0.411 0.052 0.986) 1.069 1.738 ( -4.136 -0.265 -1.092) 4.286 2.183 ( -7.872 0.606 3.370) 8.584 2.334 ( -8.160 0.227 -1.938) 8.390 3.001 ( -17.871 2.298 -1.599) 18.089 3.058 ( -11.997 3.065 -1.178) 12.439 3.132 ( -8.051 1.350 2.544) 8.550 3.296 ( -5.357 -0.412 3.181) 6.244 3.361 ( -6.317 2.512 -7.510) 10.130 3.564 ( -8.614 4.732 10.938) 14.705 3.861 ( -3.223 -3.841 -0.932) 5.100 3.932 ( -7.681 -0.803 -12.498) 14.691 4.240 ( -10.391 -4.501 8.846) 14.370 4.802 ( -5.482 -0.834 -0.746) 5.595 5.102 ( -7.298 -0.625 -4.097) 8.393 5.222 ( -9.218 3.514 28.859) 30.498 5.585 ( 7.761 1.723 -11.602) 14.064 5.841 ( -19.923 7.950 1.183) 21.483 5.947 ( -19.530 -5.013 -2.426) 20.309 6.497 ( -15.351 1.208 -24.381) 28.837 6.792 ( -16.331 -8.558 1.912) 18.536 6.902 ( -13.945 -3.950 -2.028) 14.635 7.636 ( -17.858 1.376 12.672) 21.940 8.005 ( -24.739 1.753 -2.281) 24.906 8.370 ( -8.927 3.238 3.428) 10.096 8.494 ( -6.346 -4.179 -0.437) 7.611 9.107 ( 8.824 0.193 8.021) 11.927 9.614 ( 7.318 0.547 -10.880) 13.124 10.238 ( 20.015 1.258 1.800) 20.136 10.265 ( 11.178 1.202 -0.714) 11.265 10.446 ( 11.504 0.491 8.182) 14.125 10.926 ( 10.919 0.021 -11.263) 15.687 11.545 ( 4.994 -0.617 1.779) 5.337 11.803 ( 10.581 -0.030 -10.360) 14.808 12.042 ( 0.524 0.169 6.427) 6.451 12.422 ( 11.007 1.501 1.829) 11.259 12.503 ( 15.794 2.456 4.652) 16.647 13.062 ( 29.262 7.060 -0.537) 30.106 13.111 ( 27.539 -1.334 7.488) 28.570 13.797 ( 15.389 -0.542 -12.050) 19.553 14.045 ( -15.518 -7.161 9.544) 19.575 14.392 ( -11.679 -3.595 -2.521) 12.477 16.446 ( -14.392 -0.038 -1.973) 14.527 16.469 ( -13.534 -2.651 -4.118) 14.393 17.154 ( -1.053 0.821 10.387) 10.473 17.581 ( -2.725 1.255 -6.340) 7.014 18.950 ( -6.679 0.389 3.071) 7.361 19.108 ( -5.790 0.460 -2.691) 6.401 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -3.743 0.140 -0.284) 3.757 1.698 ( 0.396 -0.243 -1.681) 1.744 2.022 ( -8.367 0.307 4.598) 9.552 2.160 ( -9.731 0.984 0.056) 9.781 2.560 ( -24.592 3.382 -3.268) 25.038 2.763 ( -14.177 4.718 -5.470) 15.912 2.892 ( -14.248 4.596 7.544) 16.764 3.163 ( -9.253 0.468 5.943) 11.008 3.287 ( -2.639 -0.865 -4.026) 4.891 3.423 ( -3.584 1.659 7.312) 8.311 3.699 ( -12.104 1.241 -2.625) 12.447 3.827 ( -4.342 4.111 -11.619) 13.067 4.078 ( -7.876 -0.713 6.018) 9.938 4.594 ( -15.121 -1.217 -0.601) 15.182 4.945 ( -13.141 -2.736 1.282) 13.484 5.104 ( 1.355 5.862 21.989) 22.797 5.426 ( -18.224 5.745 1.583) 19.173 5.527 ( -15.276 0.215 -12.303) 19.616 5.625 ( -16.493 -3.933 -5.024) 17.684 6.281 ( -4.055 1.522 -20.053) 20.515 6.600 ( -11.741 -14.252 1.686) 18.542 6.675 ( -12.365 -5.701 -0.853) 13.643 7.230 ( -22.456 0.916 7.993) 23.854 7.462 ( -29.409 2.402 -0.163) 29.507 8.193 ( -6.624 4.847 6.715) 10.605 8.443 ( -2.604 -5.564 -2.392) 6.592 9.306 ( 11.311 0.073 8.286) 14.022 9.725 ( 5.339 1.024 -6.537) 8.502 10.511 ( 15.118 2.160 0.006) 15.272 10.613 ( 18.420 2.963 -0.974) 18.682 10.692 ( 15.283 1.025 6.265) 16.549 11.044 ( 2.937 0.230 -10.859) 11.252 11.686 ( 8.290 -1.040 0.156) 8.356 12.052 ( 14.370 1.189 -12.847) 19.312 12.098 ( 6.139 0.140 6.329) 8.818 12.521 ( 10.802 1.614 -7.744) 13.389 12.959 ( 16.692 8.638 19.307) 26.945 13.279 ( 4.628 6.249 11.860) 14.182 13.683 ( 23.339 9.405 1.025) 25.183 14.005 ( 5.634 -7.997 -7.893) 12.570 14.097 ( 19.832 -14.177 -2.138) 24.471 14.279 ( -0.043 -7.446 -0.874) 7.497 16.129 ( -19.022 -0.353 -0.837) 19.044 16.199 ( -17.787 -7.805 -4.048) 19.842 17.100 ( -4.229 1.249 7.676) 8.852 17.445 ( -11.131 1.159 -5.354) 12.406 18.812 ( -6.584 1.484 2.745) 7.286 18.962 ( -8.425 1.990 -2.705) 9.069 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -1.947 1.754 0.825) 2.748 1.683 ( -4.789 -0.534 -3.426) 5.912 1.847 ( -10.869 1.792 7.079) 13.095 1.947 ( -9.866 2.839 3.296) 10.782 2.117 ( -16.275 1.385 -2.702) 16.556 2.467 ( -15.492 7.393 -0.151) 17.166 2.568 ( -13.765 -0.153 3.721) 14.260 2.982 ( -8.228 3.141 -1.863) 9.002 3.241 ( -4.705 -7.437 0.059) 8.801 3.356 ( -2.450 4.928 5.369) 7.689 3.479 ( -9.542 -1.717 -4.183) 10.560 3.685 ( -0.620 20.911 -3.067) 21.143 3.958 ( -5.114 2.290 4.908) 7.449 4.309 ( -12.249 2.428 5.773) 13.757 4.705 ( -13.860 -3.086 -7.250) 15.943 5.052 ( -7.640 -0.214 2.350) 7.996 5.066 ( -15.106 4.141 1.218) 15.710 5.176 ( -19.261 0.803 -5.202) 19.968 5.366 ( -10.132 -7.051 -0.153) 12.345 6.251 ( 0.423 5.319 -17.661) 18.449 6.445 ( -15.051 -5.300 1.525) 16.030 6.521 ( -9.721 -5.595 -1.450) 11.309 6.846 ( -18.219 -3.830 7.455) 20.054 6.974 ( -16.473 -9.994 1.663) 19.340 8.054 ( -4.156 6.217 10.298) 12.727 8.453 ( -0.433 -4.993 -4.824) 6.956 9.506 ( 8.994 -0.160 6.562) 11.134 9.810 ( 4.200 0.970 -4.496) 6.228 10.773 ( 12.850 3.479 0.485) 13.321 10.862 ( 10.262 2.690 3.405) 11.142 11.006 ( 17.663 1.193 3.701) 18.086 11.108 ( 5.721 2.208 -8.527) 10.503 11.840 ( 6.897 -1.028 -3.412) 7.763 12.251 ( 6.722 3.767 -10.515) 13.036 12.315 ( 15.511 -0.055 6.493) 16.815 12.713 ( -12.071 -1.145 8.054) 14.557 12.879 ( 12.163 1.381 -0.581) 12.255 13.355 ( -0.658 13.495 1.412) 13.584 13.844 ( 4.039 -6.337 11.626) 13.843 14.321 ( 14.376 0.463 -3.293) 14.755 14.483 ( 22.440 -10.544 4.205) 25.148 14.803 ( 39.280 -3.390 -8.316) 40.293 15.738 ( -21.777 -1.298 1.784) 21.889 15.923 ( -17.897 -14.782 -5.384) 23.829 16.957 ( -10.662 1.659 3.703) 11.408 17.135 ( -20.900 -0.955 -2.804) 21.109 18.698 ( -3.687 2.462 0.946) 4.533 18.775 ( -8.346 4.611 -1.882) 9.719 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -17.737 7.211 13.674) 23.528 1.580 ( 0.043 3.367 3.992) 5.222 1.670 ( -7.596 1.378 8.849) 11.743 1.837 ( -1.856 0.603 1.558) 2.498 1.927 ( -5.252 0.239 -2.163) 5.685 2.084 ( -16.915 1.970 13.689) 21.849 2.459 ( 1.324 1.204 -16.162) 16.261 2.781 ( -10.523 3.179 -12.418) 16.585 3.223 ( -1.053 15.964 3.272) 16.330 3.269 ( -1.570 -11.676 3.251) 12.222 3.384 ( -0.763 2.974 -0.602) 3.128 3.553 ( 1.476 21.156 2.330) 21.335 3.804 ( -10.365 -1.694 13.447) 17.062 4.171 ( 2.556 12.428 -0.830) 12.715 4.457 ( -12.477 -1.123 -8.092) 14.913 4.788 ( -12.103 -2.847 -0.565) 12.447 4.806 ( -14.870 -2.122 -3.702) 15.470 4.952 ( -6.255 -5.782 -17.877) 19.803 5.318 ( -0.820 -2.644 8.866) 9.289 6.127 ( -13.306 4.926 0.894) 14.217 6.187 ( -8.869 2.513 -5.664) 10.819 6.276 ( -7.128 5.770 -11.573) 14.766 6.719 ( -2.391 -11.524 12.883) 17.450 6.969 ( -1.905 -23.743 0.048) 23.820 7.953 ( -1.960 6.559 12.836) 14.548 8.481 ( 0.107 -3.836 -7.141) 8.107 9.639 ( 4.555 -0.515 4.821) 6.652 9.868 ( 2.365 0.564 -3.801) 4.512 10.935 ( 7.728 2.820 6.008) 10.187 11.012 ( 6.825 2.738 5.220) 9.017 11.207 ( 6.488 3.984 -3.216) 8.265 11.323 ( 14.788 2.419 6.303) 16.256 11.978 ( 3.819 0.062 -7.956) 8.826 12.077 ( -18.074 -1.811 5.750) 19.053 12.531 ( -0.223 3.749 -10.951) 11.577 12.637 ( 15.392 -1.105 12.081) 19.598 13.114 ( -13.866 2.453 -7.316) 15.868 13.258 ( 19.632 0.319 -7.263) 20.935 13.970 ( 3.645 -3.408 19.797) 20.416 14.431 ( 1.620 0.294 -1.663) 2.341 15.146 ( 31.281 -3.765 3.042) 31.654 15.314 ( -7.715 0.616 1.770) 7.940 15.600 ( 31.525 -1.038 -4.210) 31.822 15.765 ( -9.718 -22.731 -7.824) 25.930 16.590 ( -27.982 0.174 2.368) 28.082 16.732 ( -21.386 -1.820 -2.735) 21.637 18.592 ( -5.115 8.021 0.144) 9.514 18.654 ( -0.536 1.976 -2.308) 3.086 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.000 8.746 25.242) 26.714 1.495 ( -0.000 8.790 18.335) 20.333 1.623 ( 0.000 -0.001 13.827) 13.827 1.817 ( 0.000 -1.396 -0.139) 1.403 1.875 ( -0.000 0.300 0.380) 0.484 1.900 ( -0.000 2.671 -0.169) 2.677 2.551 ( -0.000 5.823 -9.874) 11.464 2.577 ( 0.000 -0.491 -26.445) 26.449 3.036 ( -0.000 31.890 6.459) 32.537 3.351 ( -0.000 4.209 -0.140) 4.211 3.385 ( 0.000 -11.732 1.061) 11.780 3.469 ( -0.000 7.053 3.558) 7.900 3.680 ( 0.000 -0.588 19.798) 19.806 4.128 ( -0.000 17.382 -4.825) 18.039 4.331 ( 0.000 -4.420 -9.154) 10.165 4.669 ( 0.000 -3.309 1.085) 3.482 4.693 ( 0.000 -6.029 -0.143) 6.031 4.940 ( 0.000 -7.052 -29.224) 30.063 5.324 ( 0.000 -0.467 8.195) 8.209 5.944 ( -0.000 6.488 1.819) 6.738 6.034 ( -0.000 4.511 -1.489) 4.750 6.215 ( -0.000 4.251 -15.490) 16.063 6.785 ( 0.000 -12.789 17.622) 21.773 7.112 ( 0.000 -22.360 0.194) 22.361 7.897 ( -0.000 4.566 13.363) 14.122 8.504 ( 0.000 -3.023 -8.944) 9.441 9.687 ( 0.000 -1.004 4.007) 4.131 9.889 ( -0.000 0.206 -3.684) 3.690 11.013 ( -0.000 2.107 4.474) 4.945 11.059 ( -0.000 3.780 7.478) 8.379 11.267 ( -0.000 4.967 5.091) 7.113 11.505 ( -0.000 0.087 14.264) 14.264 11.709 ( -0.000 0.436 5.389) 5.407 12.129 ( -0.000 0.425 -12.366) 12.373 12.491 ( -0.000 6.423 -13.321) 14.788 12.829 ( 0.000 -4.619 -10.162) 11.162 12.942 ( 0.000 -0.480 14.342) 14.350 13.479 ( 0.000 -0.527 -7.698) 7.716 14.020 ( 0.000 -3.481 18.666) 18.988 14.437 ( 0.000 -0.261 -1.970) 1.987 15.108 ( -0.000 1.247 6.226) 6.350 15.648 ( 0.000 -7.366 -10.717) 13.004 15.988 ( 0.000 -22.933 3.742) 23.236 16.050 ( -0.000 0.095 2.182) 2.185 16.160 ( 0.000 -0.019 -1.857) 1.857 16.331 ( 0.000 -1.348 -7.224) 7.349 18.475 ( -0.000 11.162 1.579) 11.273 18.646 ( -0.000 1.340 -5.118) 5.291 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -3.572 -0.000 -0.189) 3.577 1.696 ( 0.335 0.000 -1.576) 1.611 2.024 ( -8.602 -0.000 4.787) 9.844 2.166 ( -9.492 -0.000 -0.032) 9.492 2.582 ( -24.552 -0.000 -3.655) 24.823 2.803 ( -15.139 -0.000 -9.926) 18.103 2.910 ( -14.294 -0.000 9.958) 17.421 3.166 ( -9.816 -0.000 13.096) 16.366 3.285 ( -3.433 -0.000 -6.185) 7.074 3.435 ( -4.567 -0.000 9.366) 10.420 3.701 ( -14.655 -0.000 -9.495) 17.462 3.855 ( 1.826 0.000 -6.829) 7.069 4.078 ( -4.970 -0.000 3.659) 6.172 4.581 ( -15.203 -0.000 -7.325) 16.876 4.927 ( -13.004 -0.000 4.413) 13.733 5.151 ( 1.395 0.000 24.523) 24.563 5.487 ( -18.884 -0.000 1.626) 18.954 5.503 ( -20.201 -0.000 -7.461) 21.535 5.605 ( -13.880 -0.000 -6.840) 15.474 6.292 ( -2.862 -0.000 -19.868) 20.073 6.494 ( -11.370 -0.000 1.948) 11.535 6.635 ( -12.431 -0.000 -3.822) 13.005 7.238 ( -23.410 -0.000 8.165) 24.793 7.478 ( -30.057 -0.000 -0.125) 30.057 8.233 ( -6.595 -0.000 4.815) 8.165 8.398 ( -2.112 -0.000 -0.608) 2.198 9.307 ( 11.246 0.000 8.474) 14.081 9.732 ( 5.266 0.000 -6.524) 8.384 10.526 ( 15.125 0.000 0.011) 15.125 10.634 ( 18.658 0.000 -1.237) 18.699 10.698 ( 14.900 0.000 6.564) 16.282 11.046 ( 3.175 0.000 -10.915) 11.367 11.679 ( 8.377 0.000 0.183) 8.379 12.060 ( 14.893 0.000 -16.286) 22.069 12.098 ( 6.100 0.000 9.302) 11.124 12.532 ( 10.555 0.000 -7.908) 13.188 13.020 ( 15.246 0.000 21.252) 26.155 13.320 ( 6.477 0.000 16.213) 17.459 13.810 ( 19.831 0.000 -12.231) 23.300 13.879 ( 9.724 0.000 9.331) 13.476 14.003 ( 16.306 0.000 -11.223) 19.795 14.233 ( 2.612 0.000 -1.765) 3.152 16.134 ( -20.144 -0.000 -2.474) 20.295 16.139 ( -17.786 -0.000 -1.979) 17.896 17.109 ( -4.305 -0.000 7.482) 8.632 17.453 ( -11.680 -0.000 -5.391) 12.864 18.822 ( -6.438 -0.000 2.776) 7.011 18.975 ( -8.049 -0.000 -2.792) 8.519 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -1.209 0.415 0.209) 1.295 1.676 ( -4.160 -0.276 -3.645) 5.538 1.861 ( -8.754 0.486 7.496) 11.535 1.975 ( -9.885 1.225 2.124) 10.185 2.128 ( -19.580 0.419 -2.228) 19.711 2.541 ( -18.880 3.285 4.405) 19.663 2.566 ( -12.773 -0.136 -3.997) 13.385 3.000 ( -5.705 0.043 15.666) 16.672 3.166 ( -11.004 -2.991 -8.394) 14.159 3.400 ( 0.047 1.654 2.606) 3.087 3.464 ( -7.689 -0.566 -5.172) 9.284 3.872 ( 0.691 5.254 0.211) 5.303 4.021 ( -0.842 6.925 1.242) 7.086 4.302 ( -11.709 -2.451 -6.507) 13.618 4.681 ( -11.819 -0.826 -4.418) 12.644 5.060 ( -18.471 2.194 -2.642) 18.788 5.115 ( -16.895 -0.818 -0.735) 16.930 5.210 ( -13.077 5.275 4.497) 14.800 5.279 ( -8.603 -5.106 10.516) 14.515 6.325 ( 2.822 5.025 -17.818) 18.727 6.343 ( -8.307 -6.538 1.155) 10.634 6.445 ( -7.868 -5.118 -4.430) 10.379 6.807 ( -19.807 -1.567 4.718) 20.421 6.913 ( -27.045 -1.159 2.496) 27.185 8.123 ( -3.810 3.361 7.829) 9.333 8.395 ( 0.250 -2.926 -2.152) 3.641 9.506 ( 8.952 -0.001 7.005) 11.367 9.819 ( 3.980 0.395 -4.408) 5.952 10.809 ( 13.803 1.629 0.219) 13.901 10.882 ( 7.847 0.470 4.186) 8.906 11.015 ( 18.049 0.339 4.062) 18.503 11.128 ( 6.723 0.812 -9.326) 11.525 11.830 ( 7.077 -0.396 -3.172) 7.765 12.291 ( 9.595 2.198 -5.283) 11.172 12.310 ( 12.870 -0.810 0.571) 12.908 12.702 ( -15.051 -0.442 8.585) 17.333 12.892 ( 12.100 0.518 -1.713) 12.232 13.532 ( -10.078 12.198 -4.325) 16.404 13.732 ( 8.356 -9.684 16.692) 21.029 14.336 ( 21.015 1.950 0.359) 21.109 14.381 ( 20.947 -5.146 2.442) 21.708 14.774 ( 43.493 -1.047 -10.155) 44.675 15.717 ( -22.846 -1.641 0.437) 22.909 15.794 ( -19.250 -4.352 -2.510) 19.894 16.974 ( -10.107 0.764 2.701) 10.490 17.127 ( -22.394 -0.309 -2.627) 22.550 18.718 ( -3.966 0.703 1.324) 4.240 18.815 ( -7.693 1.515 -2.229) 8.152 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -16.003 4.076 11.309) 20.015 1.610 ( 1.134 1.360 1.438) 2.281 1.685 ( -7.592 1.101 5.873) 9.661 1.829 ( -5.390 -1.430 2.615) 6.159 1.928 ( -3.675 0.042 0.011) 3.675 2.113 ( -17.791 1.870 15.241) 23.501 2.476 ( 1.242 1.500 -17.874) 17.980 2.821 ( -12.471 3.440 -9.870) 16.272 3.082 ( -1.039 -12.251 8.335) 14.854 3.375 ( -0.192 5.580 -0.183) 5.586 3.407 ( -0.026 1.430 -0.447) 1.498 3.779 ( -8.329 0.334 14.962) 17.127 3.903 ( 1.998 24.484 -6.200) 25.336 4.255 ( 2.399 -0.339 -7.444) 7.829 4.492 ( -6.656 4.905 -5.873) 10.142 4.739 ( -13.226 -6.360 -10.269) 17.912 4.807 ( -14.262 2.965 -1.188) 14.616 4.879 ( -13.992 -4.426 -7.022) 16.269 5.291 ( 1.418 -0.248 21.811) 21.858 6.165 ( -11.512 0.422 1.194) 11.581 6.220 ( -9.299 2.507 -4.178) 10.498 6.357 ( -4.919 6.469 -12.412) 14.836 6.586 ( -3.853 -8.655 2.936) 9.918 6.673 ( -5.371 -18.811 0.643) 19.573 8.040 ( -1.695 5.865 10.691) 12.311 8.428 ( 0.535 -3.747 -4.053) 5.546 9.635 ( 4.522 -0.073 5.381) 7.030 9.875 ( 2.154 0.453 -3.640) 4.253 10.972 ( 6.788 2.624 9.022) 11.591 11.031 ( 7.074 0.258 3.685) 7.980 11.249 ( 6.618 2.311 -4.427) 8.291 11.345 ( 14.551 0.926 6.733) 16.060 11.980 ( 7.408 0.114 -8.532) 11.300 12.054 ( -23.140 -1.395 9.578) 25.083 12.581 ( 4.272 3.195 -17.848) 18.629 12.626 ( 14.810 -0.557 10.871) 18.379 13.142 ( -19.464 1.627 -12.039) 22.944 13.262 ( 18.903 0.238 -7.548) 20.355 13.941 ( 6.130 -1.118 23.943) 24.740 14.434 ( 1.007 0.131 -0.779) 1.280 15.111 ( 37.790 -1.594 4.940) 38.145 15.312 ( -12.584 -1.168 1.907) 12.781 15.519 ( -13.053 -12.755 -3.572) 18.596 15.593 ( 35.664 -0.385 -7.620) 36.471 16.598 ( -30.521 0.613 1.069) 30.546 16.716 ( -19.275 -0.736 -3.484) 19.601 18.660 ( -2.084 1.744 -0.294) 2.733 18.680 ( -3.890 2.844 -1.233) 4.974 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -0.000 6.902 24.095) 25.064 1.577 ( -0.000 3.389 13.330) 13.754 1.623 ( -0.000 0.524 5.704) 5.728 1.784 ( 0.000 -2.962 2.674) 3.991 1.890 ( -0.000 1.315 -2.001) 2.395 1.935 ( -0.000 2.489 7.090) 7.514 2.571 ( 0.000 -0.363 -27.107) 27.109 2.595 ( -0.000 2.299 -6.384) 6.785 3.177 ( 0.000 -14.173 6.022) 15.399 3.319 ( -0.000 11.766 0.939) 11.804 3.401 ( -0.000 1.709 -0.853) 1.910 3.673 ( 0.000 -0.446 19.262) 19.267 3.751 ( -0.000 29.435 -3.572) 29.651 4.279 ( 0.000 -3.206 -7.626) 8.273 4.383 ( -0.000 19.413 -5.178) 20.092 4.625 ( 0.000 -3.984 0.160) 3.987 4.635 ( 0.000 -1.899 -0.192) 1.908 4.816 ( 0.000 -12.314 -24.763) 27.656 5.308 ( 0.000 -0.909 18.692) 18.714 6.016 ( -0.000 4.327 1.331) 4.527 6.083 ( -0.000 2.797 -1.113) 3.011 6.277 ( -0.000 5.425 -11.913) 13.091 6.632 ( 0.000 -10.153 4.391) 11.062 6.787 ( 0.000 -25.075 -0.178) 25.075 7.981 ( -0.000 7.067 12.480) 14.342 8.458 ( 0.000 -3.783 -5.816) 6.938 9.679 ( 0.000 -0.255 4.613) 4.620 9.894 ( -0.000 0.407 -3.528) 3.551 11.042 ( -0.000 2.262 9.829) 10.086 11.095 ( -0.000 1.629 5.993) 6.211 11.324 ( -0.000 3.430 3.950) 5.232 11.502 ( 0.000 -0.418 13.030) 13.036 11.714 ( -0.000 0.312 5.372) 5.381 12.133 ( -0.000 0.300 -12.426) 12.430 12.584 ( -0.000 6.792 -22.031) 23.055 12.777 ( 0.000 -3.192 -15.312) 15.642 12.936 ( 0.000 -0.339 14.397) 14.401 13.473 ( 0.000 -0.377 -7.670) 7.679 13.993 ( 0.000 -0.592 22.649) 22.657 14.431 ( 0.000 -0.620 -0.601) 0.863 15.124 ( -0.000 1.065 4.099) 4.235 15.477 ( 0.000 -16.206 -7.445) 17.834 15.796 ( 0.000 -6.833 7.433) 10.096 16.051 ( -0.000 0.068 2.155) 2.156 16.160 ( 0.000 -0.014 -1.836) 1.836 16.330 ( -0.000 0.612 -11.633) 11.649 18.592 ( -0.000 6.575 0.185) 6.578 18.655 ( -0.000 0.210 -2.218) 2.228 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -14.791 -0.000 10.006) 17.858 1.619 ( 1.310 0.000 0.662) 1.468 1.695 ( -8.232 -0.000 5.777) 10.056 1.816 ( -6.715 -0.000 2.491) 7.162 1.928 ( -2.884 -0.000 0.982) 3.046 2.126 ( -17.808 -0.000 15.019) 23.296 2.489 ( 0.827 0.000 -19.760) 19.777 2.861 ( -15.900 -0.000 -14.474) 21.501 2.979 ( 1.673 0.000 17.118) 17.200 3.402 ( -0.716 -0.000 -1.763) 1.903 3.424 ( 1.262 0.000 0.114) 1.267 3.777 ( -9.365 -0.000 15.982) 18.524 4.141 ( 7.227 0.000 -1.921) 7.478 4.196 ( 0.894 0.000 -22.100) 22.118 4.535 ( -2.268 -0.000 -7.168) 7.519 4.665 ( -16.971 -0.000 -7.242) 18.451 4.842 ( -13.102 -0.000 -2.063) 13.264 4.846 ( -18.352 -0.000 0.072) 18.353 5.302 ( 2.524 0.000 25.803) 25.926 6.158 ( -8.708 -0.000 1.082) 8.775 6.240 ( -10.427 -0.000 -3.157) 10.894 6.429 ( 2.290 0.000 -17.387) 17.537 6.497 ( -12.953 -0.000 4.928) 13.859 6.541 ( -6.027 -0.000 -0.798) 6.080 8.084 ( -1.580 -0.000 9.230) 9.364 8.399 ( 0.758 0.000 -2.433) 2.548 9.635 ( 4.519 0.000 5.604) 7.199 9.879 ( 2.077 0.000 -3.561) 4.122 10.995 ( 5.987 0.000 13.090) 14.394 11.028 ( 7.695 0.000 0.063) 7.695 11.265 ( 6.445 0.000 -4.866) 8.076 11.350 ( 14.642 0.000 7.002) 16.230 11.981 ( 9.867 0.000 -9.218) 13.503 12.044 ( -25.872 -0.000 10.953) 28.095 12.605 ( 5.040 0.000 -21.802) 22.377 12.621 ( 15.327 0.000 12.437) 19.738 13.154 ( -21.736 -0.000 -14.121) 25.920 13.264 ( 18.624 0.000 -7.643) 20.132 13.935 ( 7.482 0.000 25.424) 26.502 14.435 ( 0.691 0.000 -0.406) 0.801 15.102 ( 41.000 0.000 5.906) 41.423 15.295 ( -14.893 -0.000 2.297) 15.070 15.440 ( -14.872 -0.000 -2.354) 15.057 15.591 ( 37.196 0.000 -8.903) 38.247 16.602 ( -31.680 -0.000 0.784) 31.690 16.711 ( -18.239 -0.000 -3.787) 18.628 18.668 ( -1.668 -0.000 0.032) 1.668 18.703 ( -4.407 -0.000 -1.371) 4.616 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -0.000 2.799 23.998) 24.161 1.594 ( -0.000 0.190 10.030) 10.032 1.636 ( -0.000 0.756 1.698) 1.858 1.752 ( 0.000 -1.469 2.494) 2.895 1.903 ( -0.000 0.538 -1.976) 2.048 1.959 ( -0.000 0.952 10.281) 10.325 2.567 ( 0.000 -0.135 -27.516) 27.516 2.627 ( -0.000 2.074 -8.577) 8.824 3.030 ( 0.000 -6.727 13.983) 15.517 3.395 ( -0.000 1.407 -1.539) 2.085 3.431 ( -0.000 2.286 -0.285) 2.304 3.669 ( 0.000 -0.168 18.940) 18.941 4.122 ( -0.000 22.845 -18.628) 29.477 4.250 ( 0.000 -1.158 -6.873) 6.969 4.543 ( 0.000 -3.328 -5.220) 6.191 4.589 ( 0.000 -1.397 0.363) 1.443 4.618 ( 0.000 -0.613 -0.832) 1.033 4.652 ( 0.000 -4.262 -12.563) 13.266 5.320 ( -0.000 2.060 25.831) 25.913 6.056 ( -0.000 1.549 1.029) 1.859 6.108 ( -0.000 0.910 -0.866) 1.256 6.358 ( -0.000 6.556 -3.878) 7.617 6.493 ( 0.000 -13.224 -4.013) 13.820 6.536 ( 0.000 -7.388 -6.640) 9.933 8.057 ( -0.000 3.603 10.311) 10.922 8.414 ( 0.000 -2.211 -3.147) 3.846 9.678 ( 0.000 -0.012 5.004) 5.004 9.898 ( -0.000 0.191 -3.373) 3.378 11.070 ( -0.000 1.623 15.410) 15.495 11.103 ( 0.000 -0.248 2.371) 2.384 11.355 ( -0.000 1.212 3.593) 3.792 11.497 ( 0.000 -0.239 11.925) 11.928 11.717 ( -0.000 0.113 5.361) 5.363 12.136 ( -0.000 0.108 -12.459) 12.459 12.652 ( -0.000 3.032 -25.573) 25.752 12.746 ( 0.000 -1.407 -19.229) 19.280 12.933 ( 0.000 -0.122 14.428) 14.428 13.469 ( 0.000 -0.137 -7.653) 7.654 13.996 ( -0.000 0.437 24.256) 24.260 14.423 ( 0.000 -0.456 0.649) 0.793 15.135 ( -0.000 0.528 3.596) 3.634 15.308 ( 0.000 -7.392 -2.543) 7.817 15.749 ( 0.000 -1.419 6.280) 6.438 16.051 ( -0.000 0.025 2.139) 2.139 16.160 ( 0.000 -0.005 -1.824) 1.824 16.338 ( -0.000 0.401 -13.672) 13.678 18.648 ( -0.000 1.737 -0.491) 1.805 18.657 ( -0.000 0.391 -0.941) 1.019 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.000 0.000 -20.256) 20.256 0.984 ( 0.000 0.000 20.256) 20.256 1.434 ( 0.000 0.000 -23.477) 23.477 1.434 ( 0.000 0.000 23.477) 23.477 1.965 ( 0.000 0.000 -4.557) 4.557 1.965 ( 0.000 0.000 4.557) 4.557 2.146 ( 0.000 0.000 -14.804) 14.804 2.146 ( 0.000 0.000 14.804) 14.804 2.849 ( 0.000 0.000 -42.363) 42.363 2.849 ( 0.000 0.000 42.363) 42.363 3.469 ( 0.000 0.000 -11.615) 11.615 3.469 ( 0.000 0.000 11.615) 11.615 4.133 ( 0.000 0.000 -18.197) 18.197 4.133 ( 0.000 0.000 18.197) 18.197 4.388 ( 0.000 0.000 -33.250) 33.250 4.388 ( 0.000 0.000 33.250) 33.250 4.956 ( 0.000 0.000 -1.908) 1.908 4.956 ( 0.000 0.000 1.908) 1.908 5.533 ( 0.000 0.000 -17.749) 17.749 5.533 ( 0.000 0.000 17.749) 17.749 5.718 ( 0.000 0.000 -4.756) 4.756 5.718 ( 0.000 0.000 4.756) 4.756 7.579 ( 0.000 0.000 -13.676) 13.676 7.579 ( 0.000 0.000 13.676) 13.676 8.284 ( 0.000 0.000 -19.451) 19.451 8.284 ( 0.000 0.000 19.451) 19.451 9.870 ( 0.000 0.000 -3.283) 3.283 9.870 ( 0.000 0.000 3.283) 3.283 10.796 ( 0.000 0.000 -1.773) 1.773 10.796 ( 0.000 0.000 1.773) 1.773 11.349 ( 0.000 0.000 -9.986) 9.986 11.349 ( 0.000 0.000 9.986) 9.986 11.863 ( 0.000 0.000 -10.077) 10.077 11.863 ( 0.000 0.000 10.077) 10.077 13.133 ( 0.000 0.000 -3.688) 3.688 13.133 ( 0.000 0.000 3.688) 3.688 13.267 ( 0.000 0.000 -13.122) 13.122 13.267 ( 0.000 0.000 13.122) 13.122 14.358 ( 0.000 0.000 -4.753) 4.753 14.358 ( 0.000 0.000 4.753) 4.753 15.372 ( 0.000 0.000 -18.118) 18.118 15.372 ( 0.000 0.000 18.118) 18.118 16.106 ( 0.000 0.000 -2.944) 2.944 16.106 ( 0.000 0.000 2.944) 2.944 17.314 ( 0.000 0.000 -8.058) 8.058 17.314 ( 0.000 0.000 8.058) 8.058 17.672 ( 0.000 0.000 -7.121) 7.121 17.672 ( 0.000 0.000 7.121) 7.121 ======================= Grid point 352 (100/147) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 1.942 -12.071 -16.206) 20.301 1.033 ( 1.942 -12.071 16.206) 20.301 1.537 ( 9.681 -1.057 -20.158) 22.387 1.537 ( 9.681 -1.057 20.158) 22.387 1.983 ( 2.358 1.536 -0.374) 2.839 1.983 ( 2.358 1.536 0.374) 2.839 2.122 ( -0.065 -2.078 -14.080) 14.233 2.122 ( -0.065 -2.078 14.080) 14.233 3.009 ( 11.068 -0.872 -27.956) 30.080 3.009 ( 11.068 -0.872 27.956) 30.080 3.558 ( 9.966 0.428 -16.575) 19.345 3.558 ( 9.966 0.428 16.575) 19.345 4.136 ( 1.790 1.089 -3.700) 4.252 4.136 ( 1.790 1.089 3.700) 4.252 4.471 ( 8.697 1.758 -20.325) 22.177 4.471 ( 8.697 1.758 20.325) 22.177 5.063 ( 11.005 2.826 -1.935) 11.526 5.063 ( 11.005 2.826 1.935) 11.526 5.543 ( 1.814 -2.833 -17.110) 17.438 5.543 ( 1.814 -2.833 17.110) 17.438 5.882 ( 14.684 -2.289 -1.856) 14.977 5.882 ( 14.684 -2.289 1.856) 14.977 7.610 ( 3.596 1.630 -11.080) 11.762 7.610 ( 3.596 1.630 11.080) 11.762 8.256 ( -1.978 1.359 -19.436) 19.583 8.256 ( -1.978 1.359 19.436) 19.583 9.822 ( -4.461 1.125 -3.563) 5.819 9.822 ( -4.461 1.125 3.563) 5.819 10.737 ( -7.135 -2.582 -1.976) 7.841 10.737 ( -7.135 -2.582 1.976) 7.841 11.162 ( -15.728 -0.761 -3.243) 16.077 11.162 ( -15.728 -0.761 3.243) 16.077 11.879 ( 0.531 -0.325 -3.013) 3.077 11.879 ( 0.531 -0.325 3.013) 3.077 13.022 ( -15.467 4.220 -7.825) 17.840 13.022 ( -15.467 4.220 7.825) 17.840 13.070 ( -12.401 -1.676 -5.968) 13.864 13.070 ( -12.401 -1.676 5.968) 13.864 14.312 ( -5.202 0.279 -6.416) 8.265 14.312 ( -5.202 0.279 6.416) 8.265 15.417 ( 1.608 2.283 -9.818) 10.208 15.417 ( 1.608 2.283 9.818) 10.208 16.036 ( -0.838 0.752 -11.520) 11.575 16.036 ( -0.838 0.752 11.520) 11.575 17.414 ( 13.397 26.231 -3.102) 29.617 17.414 ( 13.397 26.231 3.102) 29.617 17.814 ( 7.443 -24.842 -0.352) 25.935 17.814 ( 7.443 -24.842 0.352) 25.935 ======================= Grid point 354 (101/147) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 8.565 -15.282 -8.903) 19.651 1.231 ( 8.565 -15.282 8.903) 19.651 1.757 ( 10.380 -2.202 -5.420) 11.915 1.757 ( 10.380 -2.202 5.420) 11.915 2.086 ( 10.424 1.115 -4.178) 11.286 2.086 ( 10.424 1.115 4.178) 11.286 2.208 ( 6.706 -5.148 -10.305) 13.329 2.208 ( 6.706 -5.148 10.305) 13.329 3.167 ( 4.664 -3.074 -10.897) 12.245 3.167 ( 4.664 -3.074 10.897) 12.245 3.772 ( 10.760 6.316 -9.902) 15.929 3.772 ( 10.760 6.316 9.902) 15.929 4.276 ( 15.640 0.328 -24.790) 29.313 4.276 ( 15.640 0.328 24.790) 29.313 4.663 ( 10.518 -1.734 -11.461) 15.652 4.663 ( 10.518 -1.734 11.461) 15.652 5.251 ( 8.972 4.751 -2.746) 10.517 5.251 ( 8.972 4.751 2.746) 10.517 5.692 ( 13.606 0.055 -15.632) 20.724 5.692 ( 13.606 0.055 15.632) 20.724 6.271 ( 22.626 -5.995 -2.393) 23.529 6.271 ( 22.626 -5.995 2.393) 23.529 7.679 ( 5.833 6.516 -5.449) 10.304 7.679 ( 5.833 6.516 5.449) 10.304 8.223 ( -0.065 -0.516 -20.236) 20.243 8.223 ( -0.065 -0.516 20.236) 20.243 9.693 ( -7.935 1.369 -5.067) 9.514 9.693 ( -7.935 1.369 5.067) 9.514 10.556 ( -13.874 -4.039 -1.939) 14.579 10.556 ( -13.874 -4.039 1.939) 14.579 10.897 ( -11.216 -1.628 -4.155) 12.071 10.897 ( -11.216 -1.628 4.155) 12.071 11.871 ( -1.582 -0.531 -3.208) 3.616 11.871 ( -1.582 -0.531 3.208) 3.616 12.589 ( -23.232 0.434 -9.654) 25.162 12.589 ( -23.232 0.434 9.654) 25.162 12.853 ( -14.643 -3.904 -3.486) 15.550 12.853 ( -14.643 -3.904 3.486) 15.550 14.150 ( -11.508 -0.002 -10.403) 15.513 14.150 ( -11.508 -0.002 10.403) 15.513 15.318 ( -5.841 10.160 -1.019) 11.764 15.318 ( -5.841 10.160 1.019) 11.764 16.174 ( 13.479 1.069 -17.187) 21.868 16.174 ( 13.479 1.069 17.187) 21.868 17.429 ( 3.721 14.993 -2.528) 15.654 17.429 ( 3.721 14.993 2.528) 15.654 18.195 ( 15.916 -14.870 -4.140) 22.171 18.195 ( 15.916 -14.870 4.140) 22.171 ======================= Grid point 356 (102/147) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 9.793 -8.851 -2.725) 13.478 1.504 ( 9.793 -8.851 2.725) 13.478 1.965 ( 10.047 -5.587 -6.791) 13.352 1.965 ( 10.047 -5.587 6.791) 13.352 2.281 ( 8.107 -4.633 -2.261) 9.608 2.281 ( 8.107 -4.633 2.261) 9.608 2.493 ( 18.744 -3.197 -12.400) 22.701 2.493 ( 18.744 -3.197 12.400) 22.701 3.266 ( 3.420 -4.650 -4.530) 7.338 3.266 ( 3.420 -4.650 4.530) 7.338 3.880 ( 7.975 8.141 -7.170) 13.465 3.880 ( 7.975 8.141 7.170) 13.465 4.667 ( 21.750 0.385 -29.628) 36.757 4.667 ( 21.750 0.385 29.628) 36.757 4.867 ( 7.609 -7.050 -11.161) 15.237 4.867 ( 7.609 -7.050 11.161) 15.237 5.333 ( 4.046 4.309 -11.497) 12.928 5.333 ( 4.046 4.309 11.497) 12.928 6.011 ( 20.545 9.325 -10.070) 24.708 6.011 ( 20.545 9.325 10.070) 24.708 6.796 ( 25.541 -10.864 -5.177) 28.234 6.796 ( 25.541 -10.864 5.177) 28.234 7.729 ( 6.388 12.656 -7.120) 15.864 7.729 ( 6.388 12.656 7.120) 15.864 8.292 ( 5.904 -3.756 -19.526) 20.742 8.292 ( 5.904 -3.756 19.526) 20.742 9.509 ( -10.231 0.962 -8.038) 13.046 9.509 ( -10.231 0.962 8.038) 13.046 10.285 ( -16.593 -4.795 -1.169) 17.311 10.285 ( -16.593 -4.795 1.169) 17.311 10.749 ( -6.652 -1.717 -11.166) 13.110 10.749 ( -6.652 -1.717 11.166) 13.110 11.824 ( -3.507 0.513 -5.816) 6.811 11.824 ( -3.507 0.513 5.816) 6.811 12.213 ( -15.022 -1.589 -8.020) 17.102 12.213 ( -15.022 -1.589 8.020) 17.102 12.562 ( -19.712 -8.291 -5.694) 22.129 12.562 ( -19.712 -8.291 5.694) 22.129 13.884 ( -15.866 0.499 -14.394) 21.428 13.884 ( -15.866 0.499 14.394) 21.428 15.133 ( -4.572 13.347 -0.558) 14.119 15.133 ( -4.572 13.347 0.558) 14.119 16.438 ( 14.036 2.730 -13.424) 19.613 16.438 ( 14.036 2.730 13.424) 19.613 17.385 ( -0.265 7.143 -3.993) 8.188 17.385 ( -0.265 7.143 3.993) 8.188 18.570 ( 14.661 -8.871 -3.324) 17.456 18.570 ( 14.661 -8.871 3.324) 17.456 ======================= Grid point 358 (103/147) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 5.343 -2.047 -2.742) 6.345 1.683 ( 5.343 -2.047 2.742) 6.345 2.203 ( 10.290 -2.611 -3.132) 11.068 2.203 ( 10.290 -2.611 3.132) 11.068 2.508 ( 10.613 -12.048 -4.893) 16.785 2.508 ( 10.613 -12.048 4.893) 16.785 2.867 ( 17.125 -1.986 -8.063) 19.032 2.867 ( 17.125 -1.986 8.063) 19.032 3.358 ( 3.412 -3.306 -1.431) 4.962 3.358 ( 3.412 -3.306 1.431) 4.962 4.024 ( 11.600 3.661 -8.610) 14.903 4.024 ( 11.600 3.661 8.610) 14.903 4.904 ( 1.015 -3.763 -3.874) 5.495 4.904 ( 1.015 -3.763 3.874) 5.495 5.132 ( 15.567 -3.027 -26.340) 30.746 5.132 ( 15.567 -3.027 26.340) 30.746 5.400 ( 6.899 3.272 -13.227) 15.273 5.400 ( 6.899 3.272 13.227) 15.273 6.279 ( 14.663 14.378 -8.159) 22.098 6.279 ( 14.663 14.378 8.159) 22.098 7.343 ( 21.859 -13.965 -7.881) 27.110 7.343 ( 21.859 -13.965 7.881) 27.110 7.791 ( 10.283 14.533 -6.248) 18.868 7.791 ( 10.283 14.533 6.248) 18.868 8.469 ( 9.159 -3.051 -14.231) 17.197 8.469 ( 9.159 -3.051 14.231) 17.197 9.305 ( -10.248 0.330 -10.764) 14.866 9.305 ( -10.248 0.330 10.764) 14.866 10.031 ( -12.191 -4.772 -0.340) 13.096 10.031 ( -12.191 -4.772 0.340) 13.096 10.614 ( -9.481 -1.249 -13.625) 16.646 10.614 ( -9.481 -1.249 13.625) 16.646 11.739 ( -3.293 2.665 -5.982) 7.330 11.739 ( -3.293 2.665 5.982) 7.330 12.070 ( -2.513 -3.983 -8.008) 9.290 12.070 ( -2.513 -3.983 8.008) 9.290 12.232 ( -20.092 -9.203 -7.203) 23.244 12.232 ( -20.092 -9.203 7.203) 23.244 13.546 ( -18.841 1.053 -17.705) 25.875 13.546 ( -18.841 1.053 17.705) 25.875 14.981 ( -2.439 12.100 -1.382) 12.421 14.981 ( -2.439 12.100 1.382) 12.421 16.647 ( 10.091 4.288 -8.519) 13.884 16.647 ( 10.091 4.288 8.519) 13.884 17.335 ( -1.496 2.237 -5.386) 6.021 17.335 ( -1.496 2.237 5.386) 6.021 18.862 ( 10.777 -5.808 -3.128) 12.636 18.862 ( 10.777 -5.808 3.128) 12.636 ======================= Grid point 360 (104/147) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 2.312 -0.108 -4.414) 4.985 1.758 ( 2.312 -0.108 4.414) 4.985 2.365 ( 6.158 0.267 -5.036) 7.959 2.365 ( 6.158 0.267 5.036) 7.959 2.810 ( 11.278 -10.985 -7.714) 17.531 2.810 ( 11.278 -10.985 7.714) 17.531 3.128 ( 7.887 -2.225 -3.084) 8.756 3.128 ( 7.887 -2.225 3.084) 8.756 3.453 ( 5.803 -0.391 -3.542) 6.810 3.453 ( 5.803 -0.391 3.542) 6.810 4.253 ( 12.094 -0.618 -6.081) 13.551 4.253 ( 12.094 -0.618 6.081) 13.551 4.876 ( -4.864 -4.101 -6.378) 9.009 4.876 ( -4.864 -4.101 6.378) 9.009 5.331 ( 4.445 0.812 -13.161) 13.915 5.331 ( 4.445 0.812 13.161) 13.915 5.589 ( 12.774 0.902 -29.115) 31.807 5.589 ( 12.774 0.902 29.115) 31.807 6.378 ( 5.759 12.488 -8.968) 16.418 6.378 ( 5.759 12.488 8.968) 16.418 7.763 ( 10.697 -14.978 -6.558) 19.539 7.763 ( 10.697 -14.978 6.558) 19.539 7.934 ( 14.574 14.777 -6.492) 21.746 7.934 ( 14.574 14.777 6.492) 21.746 8.647 ( 7.402 -1.270 -8.134) 11.070 8.647 ( 7.402 -1.270 8.134) 11.070 9.131 ( -7.545 -0.013 -9.918) 12.462 9.131 ( -7.545 -0.013 9.918) 12.462 9.909 ( -3.691 -3.781 -2.005) 5.652 9.909 ( -3.691 -3.781 2.005) 5.652 10.408 ( -11.656 -0.603 -9.744) 15.204 10.408 ( -11.656 -0.603 9.744) 15.204 11.685 ( -0.511 3.263 -4.388) 5.492 11.685 ( -0.511 3.263 4.388) 5.492 11.924 ( -15.830 -7.520 -6.537) 18.705 11.924 ( -15.830 -7.520 6.537) 18.705 12.162 ( 7.292 -4.379 -13.017) 15.550 12.162 ( 7.292 -4.379 13.017) 15.550 13.161 ( -20.186 1.723 -20.122) 28.554 13.161 ( -20.186 1.723 20.122) 28.554 14.881 ( -1.062 8.144 -1.727) 8.393 14.881 ( -1.062 8.144 1.727) 8.393 16.764 ( 5.307 4.253 -4.137) 7.960 16.764 ( 5.307 4.253 4.137) 7.960 17.305 ( -1.041 -0.448 -7.132) 7.222 17.305 ( -1.041 -0.448 7.132) 7.222 19.056 ( 6.341 -3.493 -2.802) 7.762 19.056 ( 6.341 -3.493 2.802) 7.762 ======================= Grid point 362 (105/147) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 0.652 0.089 -5.057) 5.100 1.784 ( 0.652 0.089 5.057) 5.100 2.442 ( 2.085 0.209 -6.173) 6.519 2.442 ( 2.085 0.209 6.173) 6.519 3.030 ( 5.452 -4.253 -7.597) 10.273 3.030 ( 5.452 -4.253 7.597) 10.273 3.203 ( 0.324 -0.464 -2.885) 2.940 3.203 ( 0.324 -0.464 2.885) 2.940 3.565 ( 4.051 -0.264 -1.484) 4.322 3.565 ( 4.051 -0.264 1.484) 4.322 4.431 ( 5.063 0.099 -5.710) 7.631 4.431 ( 5.063 0.099 5.710) 7.631 4.823 ( -2.421 -3.039 -5.114) 6.423 4.823 ( -2.421 -3.039 5.114) 6.423 5.358 ( 0.357 1.256 -12.448) 12.517 5.358 ( 0.357 1.255 12.448) 12.517 5.777 ( 5.824 0.247 -32.556) 33.074 5.777 ( 5.824 0.247 32.556) 33.074 6.373 ( 0.870 4.865 -9.099) 10.354 6.373 ( 0.870 4.865 9.099) 10.354 7.939 ( 2.483 -4.167 -2.331) 5.382 7.939 ( 2.483 -4.167 2.331) 5.382 8.101 ( 7.048 4.076 -11.183) 13.833 8.101 ( 7.048 4.076 11.183) 13.833 8.752 ( 2.821 -0.330 -4.306) 5.158 8.752 ( 2.821 -0.330 4.306) 5.158 9.030 ( -2.802 -0.014 -4.841) 5.593 9.030 ( -2.802 -0.014 4.841) 5.593 9.906 ( 0.237 -1.473 -2.855) 3.222 9.906 ( 0.237 -1.473 2.855) 3.222 10.234 ( -5.392 -0.100 -3.432) 6.392 10.234 ( -5.392 -0.100 3.432) 6.392 11.666 ( 0.178 2.146 -2.761) 3.501 11.666 ( 0.178 2.146 2.761) 3.501 11.741 ( -6.431 -3.721 -3.818) 8.354 11.741 ( -6.431 -3.721 3.818) 8.354 12.398 ( 13.613 -3.422 -17.780) 22.653 12.398 ( 13.613 -3.422 17.780) 22.653 12.774 ( -17.901 2.454 -20.537) 27.354 12.774 ( -17.901 2.454 20.537) 27.354 14.832 ( -0.288 2.843 -1.765) 3.358 14.832 ( -0.288 2.843 1.765) 3.358 16.806 ( 1.488 1.777 -1.385) 2.700 16.806 ( 1.488 1.777 1.385) 2.700 17.297 ( -0.260 -0.525 -8.232) 8.253 17.297 ( -0.260 -0.525 8.232) 8.253 19.151 ( 2.064 -1.187 -2.274) 3.292 19.151 ( 2.064 -1.187 2.274) 3.292 ======================= Grid point 378 (106/147) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 11.055 0.000 -13.293) 17.289 1.118 ( 11.055 0.000 13.293) 17.289 1.743 ( 10.073 0.000 -6.623) 12.055 1.743 ( 10.073 0.000 6.623) 12.055 2.096 ( 9.472 0.000 -0.805) 9.506 2.096 ( 9.472 0.000 0.805) 9.506 2.173 ( 7.215 0.000 -11.830) 13.856 2.173 ( 7.215 0.000 11.830) 13.856 3.146 ( 4.387 0.000 -10.384) 11.272 3.146 ( 4.387 0.000 10.384) 11.272 3.815 ( 12.047 0.000 -12.595) 17.429 3.815 ( 12.047 0.000 12.595) 17.429 4.279 ( 14.889 0.000 -22.935) 27.344 4.279 ( 14.889 0.000 22.935) 27.344 4.650 ( 8.727 0.000 -9.097) 12.606 4.650 ( 8.727 0.000 9.097) 12.606 5.285 ( 8.053 0.000 -4.488) 9.219 5.285 ( 8.053 0.000 4.488) 9.219 5.693 ( 17.114 0.000 -13.704) 21.925 5.693 ( 17.114 0.000 13.704) 21.925 6.228 ( 21.408 0.000 -0.376) 21.411 6.228 ( 21.408 0.000 0.376) 21.411 7.722 ( 7.280 0.000 -5.333) 9.024 7.722 ( 7.280 0.000 5.333) 9.024 8.220 ( -1.443 -0.000 -20.777) 20.827 8.220 ( -1.443 -0.000 20.777) 20.827 9.703 ( -8.134 -0.000 -4.771) 9.430 9.703 ( -8.134 -0.000 4.771) 9.430 10.528 ( -13.656 -0.000 -1.628) 13.753 10.528 ( -13.656 -0.000 1.628) 13.753 10.886 ( -11.180 -0.000 -4.360) 12.000 10.886 ( -11.180 -0.000 4.360) 12.000 11.868 ( -1.418 -0.000 -2.558) 2.925 11.868 ( -1.418 -0.000 2.558) 2.925 12.593 ( -23.964 -0.000 -9.248) 25.686 12.593 ( -23.964 -0.000 9.248) 25.686 12.826 ( -15.908 -0.000 -3.439) 16.275 12.826 ( -15.908 -0.000 3.439) 16.275 14.150 ( -11.434 -0.000 -10.425) 15.473 14.150 ( -11.434 -0.000 10.425) 15.473 15.389 ( -5.256 -0.000 -1.492) 5.464 15.389 ( -5.256 -0.000 1.492) 5.464 16.179 ( 13.526 0.000 -16.915) 21.658 16.179 ( 13.526 0.000 16.915) 21.658 17.557 ( -3.306 -0.000 -2.586) 4.197 17.557 ( -3.306 -0.000 2.586) 4.197 18.069 ( 22.451 0.000 -7.005) 23.519 18.069 ( 22.451 0.000 7.005) 23.519 ======================= Grid point 380 (107/147) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 14.576 -5.000 -7.334) 17.065 1.401 ( 14.576 -5.000 7.334) 17.065 1.914 ( 8.974 -1.954 -6.997) 11.546 1.914 ( 8.974 -1.954 6.997) 11.546 2.248 ( 6.578 -0.979 -3.926) 7.723 2.248 ( 6.578 -0.979 3.926) 7.723 2.467 ( 20.281 -0.897 -13.532) 24.398 2.467 ( 20.281 -0.897 13.532) 24.398 3.222 ( 3.550 -1.744 -5.280) 6.597 3.222 ( 3.550 -1.744 5.280) 6.597 3.962 ( 6.465 3.527 -5.538) 9.214 3.962 ( 6.465 3.527 5.538) 9.214 4.668 ( 21.852 -0.052 -29.063) 36.362 4.668 ( 21.852 -0.052 29.063) 36.362 4.795 ( 6.254 -3.116 -10.297) 12.444 4.795 ( 6.254 -3.116 10.297) 12.444 5.374 ( 3.530 1.678 -14.802) 15.309 5.374 ( 3.530 1.678 14.802) 15.309 6.122 ( 25.832 5.792 -8.599) 27.835 6.122 ( 25.832 5.792 8.599) 27.835 6.671 ( 22.280 -6.332 -2.790) 23.330 6.671 ( 22.280 -6.332 2.790) 23.330 7.857 ( 8.044 5.715 -4.728) 10.942 7.857 ( 8.044 5.715 4.728) 10.942 8.246 ( 4.444 -2.524 -22.142) 22.725 8.246 ( 4.444 -2.524 22.142) 22.725 9.521 ( -10.486 0.558 -7.557) 12.937 9.521 ( -10.486 0.558 7.557) 12.937 10.239 ( -16.218 -1.888 -0.657) 16.341 10.239 ( -16.218 -1.888 0.657) 16.341 10.733 ( -6.314 -0.651 -11.551) 13.180 10.733 ( -6.314 -0.651 11.551) 13.180 11.829 ( -2.605 0.168 -5.464) 6.055 11.829 ( -2.605 0.168 5.464) 6.055 12.198 ( -16.129 -0.624 -7.483) 17.791 12.198 ( -16.129 -0.624 7.483) 17.791 12.487 ( -19.771 -2.887 -4.361) 20.451 12.487 ( -19.771 -2.887 4.361) 20.451 13.889 ( -15.672 0.160 -14.436) 21.308 13.889 ( -15.672 0.160 14.436) 21.308 15.257 ( -6.183 4.915 -0.558) 7.919 15.257 ( -6.183 4.915 0.558) 7.919 16.459 ( 14.489 0.653 -13.957) 20.128 16.459 ( 14.489 0.653 13.957) 20.128 17.467 ( -3.879 3.932 -1.495) 5.722 17.467 ( -3.879 3.932 1.495) 5.722 18.476 ( 17.725 -4.271 -3.755) 18.615 18.476 ( 17.725 -4.271 3.755) 18.615 ======================= Grid point 382 (108/147) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 7.998 -2.293 -3.810) 9.151 1.652 ( 7.998 -2.293 3.810) 9.151 2.160 ( 13.923 -3.380 -9.253) 17.055 2.160 ( 13.923 -3.380 9.253) 17.055 2.398 ( 8.371 -4.613 -4.649) 10.628 2.398 ( 8.371 -4.613 4.649) 10.628 2.854 ( 18.249 -0.276 -9.767) 20.701 2.854 ( 18.249 -0.276 9.767) 20.701 3.313 ( 4.349 -3.010 -2.527) 5.862 3.313 ( 4.349 -3.010 2.527) 5.862 4.071 ( 8.055 3.061 -6.966) 11.080 4.071 ( 8.055 3.061 6.966) 11.080 4.841 ( -0.158 -4.519 -5.684) 7.263 4.841 ( -0.158 -4.519 5.684) 7.263 5.109 ( 17.922 -0.841 -32.909) 37.482 5.109 ( 17.922 -0.841 32.909) 37.482 5.440 ( 6.060 2.301 -13.583) 15.050 5.440 ( 6.060 2.301 13.583) 15.050 6.485 ( 17.872 15.742 -6.930) 24.804 6.485 ( 17.872 15.742 6.930) 24.804 7.139 ( 18.189 -15.580 -5.605) 24.597 7.139 ( 18.189 -15.580 5.605) 24.597 7.968 ( 10.620 11.128 -6.165) 16.571 7.968 ( 10.620 11.128 6.165) 16.571 8.416 ( 9.549 -4.442 -16.422) 19.509 8.416 ( 9.549 -4.442 16.422) 19.509 9.313 ( -10.384 0.633 -10.355) 14.678 9.313 ( -10.384 0.633 10.355) 14.678 9.980 ( -11.510 -2.869 -0.329) 11.866 9.980 ( -11.510 -2.869 0.329) 11.866 10.600 ( -9.084 -0.786 -13.961) 16.675 10.600 ( -9.084 -0.786 13.961) 16.675 11.770 ( -2.485 1.740 -6.666) 7.324 11.770 ( -2.485 1.740 6.666) 7.324 12.024 ( -3.378 -2.634 -7.991) 9.067 12.024 ( -3.378 -2.634 7.991) 9.067 12.137 ( -18.682 -4.951 -5.309) 20.043 12.137 ( -18.682 -4.951 5.309) 20.043 13.557 ( -18.652 0.545 -17.812) 25.796 13.557 ( -18.652 0.545 17.812) 25.796 15.106 ( -5.425 6.516 -1.398) 8.593 15.106 ( -5.425 6.516 1.398) 8.593 16.691 ( 10.482 2.279 -10.037) 14.690 16.691 ( 10.482 2.279 10.037) 14.690 17.371 ( -3.583 2.634 -3.240) 5.502 17.371 ( -3.583 2.634 3.240) 5.502 18.792 ( 12.453 -4.237 -2.367) 13.365 18.792 ( 12.453 -4.237 2.367) 13.365 ======================= Grid point 384 (109/147) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 2.812 -0.331 -4.772) 5.549 1.755 ( 2.812 -0.331 4.772) 5.549 2.375 ( 7.108 1.139 -4.960) 8.742 2.375 ( 7.108 1.139 4.960) 8.742 2.677 ( 14.772 -8.824 -8.111) 19.023 2.677 ( 14.772 -8.824 8.111) 19.023 3.121 ( 9.392 1.073 -3.962) 10.250 3.121 ( 9.392 1.073 3.962) 10.250 3.432 ( 6.215 -2.592 -3.340) 7.517 3.432 ( 6.215 -2.592 3.340) 7.517 4.236 ( 9.222 -1.617 -6.854) 11.603 4.236 ( 9.222 -1.617 6.854) 11.603 4.823 ( -3.909 -3.648 -5.371) 7.578 4.823 ( -3.909 -3.648 5.371) 7.578 5.316 ( 3.434 -1.547 -5.824) 6.936 5.316 ( 3.434 -1.547 5.824) 6.936 5.628 ( 14.199 3.176 -21.707) 26.132 5.628 ( 14.199 3.176 21.707) 26.132 6.583 ( 5.031 18.018 -6.214) 19.712 6.583 ( 5.031 18.018 6.214) 19.712 7.529 ( 9.789 -19.153 -5.442) 22.188 7.529 ( 9.789 -19.153 5.442) 22.188 8.125 ( 13.132 12.899 -5.633) 19.250 8.125 ( 13.132 12.899 5.633) 19.250 8.616 ( 7.798 -3.344 -8.831) 12.247 8.616 ( 7.798 -3.344 8.831) 12.247 9.135 ( -7.435 0.545 -9.716) 12.247 9.135 ( -7.435 0.545 9.716) 12.247 9.866 ( -2.340 -2.638 -1.611) 3.877 9.866 ( -2.340 -2.638 1.611) 3.877 10.400 ( -11.269 -0.546 -9.850) 14.978 10.400 ( -11.269 -0.546 9.850) 14.978 11.722 ( -1.555 1.888 -5.017) 5.581 11.722 ( -1.555 1.888 5.017) 5.581 11.843 ( -13.254 -4.296 -4.923) 14.777 11.843 ( -13.254 -4.296 4.923) 14.777 12.106 ( 7.841 -3.769 -13.567) 16.118 12.106 ( 7.841 -3.769 13.567) 16.118 13.180 ( -19.864 1.130 -20.219) 28.366 13.180 ( -19.864 1.130 20.219) 28.366 14.969 ( -4.707 5.134 -1.911) 7.222 14.969 ( -4.707 5.134 1.911) 7.222 16.818 ( 4.776 3.613 -6.011) 8.485 16.818 ( 4.776 3.613 6.011) 8.485 17.308 ( -1.596 0.738 -5.592) 5.862 17.308 ( -1.596 0.738 5.592) 5.862 19.008 ( 7.580 -3.434 -2.166) 8.599 19.008 ( 7.580 -3.434 2.166) 8.599 ======================= Grid point 386 (110/147) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 0.577 0.011 -5.233) 5.265 1.785 ( 0.577 0.011 5.233) 5.265 2.451 ( 2.124 1.127 -5.975) 6.440 2.451 ( 2.124 1.127 5.975) 6.440 2.979 ( 10.923 -3.943 -7.357) 13.747 2.979 ( 10.923 -3.943 7.357) 13.747 3.210 ( 1.988 2.345 -2.537) 3.986 3.210 ( 1.988 2.345 2.537) 3.986 3.556 ( 4.227 -1.279 -1.706) 4.735 3.556 ( 4.227 -1.279 1.706) 4.735 4.394 ( 2.983 -5.311 -3.370) 6.962 4.394 ( 2.983 -5.311 3.370) 6.962 4.787 ( -0.054 -2.061 -2.542) 3.273 4.787 ( -0.054 -2.061 2.542) 3.273 5.330 ( -2.831 -3.515 -15.183) 15.840 5.330 ( -2.831 -3.515 15.183) 15.840 5.837 ( 9.220 6.099 -31.928) 33.788 5.837 ( 9.220 6.099 31.928) 33.788 6.489 ( -2.844 12.708 -6.899) 14.737 6.489 ( -2.844 12.708 6.899) 14.737 7.750 ( 0.418 -18.367 -3.947) 18.791 7.750 ( 0.418 -18.367 3.947) 18.791 8.244 ( 6.771 11.718 -9.128) 16.325 8.244 ( 6.771 11.718 9.128) 16.325 8.739 ( 3.159 -1.625 -4.009) 5.357 8.739 ( 3.159 -1.625 4.010) 5.357 9.033 ( -2.630 0.512 -4.795) 5.493 9.033 ( -2.630 0.512 4.795) 5.493 9.890 ( 2.249 -0.911 -2.985) 3.847 9.890 ( 2.249 -0.911 2.985) 3.847 10.233 ( -5.191 -0.157 -3.384) 6.199 10.233 ( -5.191 -0.157 3.384) 6.199 11.655 ( -4.798 -3.223 -1.886) 6.080 11.655 ( -4.798 -3.223 1.886) 6.080 11.732 ( 0.374 1.881 -2.934) 3.505 11.732 ( 0.374 1.881 2.934) 3.505 12.354 ( 14.819 -3.039 -18.409) 23.827 12.354 ( 14.819 -3.039 18.409) 23.827 12.803 ( -17.930 1.822 -20.558) 27.339 12.803 ( -17.930 1.822 20.558) 27.339 14.861 ( -4.261 1.584 -2.263) 5.078 14.861 ( -4.261 1.584 2.263) 5.078 16.835 ( -0.343 2.481 -2.810) 3.765 16.835 ( -0.343 2.481 2.810) 3.765 17.298 ( 0.738 0.629 -7.762) 7.823 17.298 ( 0.738 0.629 7.762) 7.823 19.129 ( 3.230 -2.024 -2.031) 4.319 19.129 ( 3.230 -2.024 2.031) 4.319 ======================= Grid point 388 (111/147) ======================= q-point: (-0.54 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -0.781 -0.137 -4.902) 4.966 1.783 ( -0.781 -0.137 4.902) 4.966 2.446 ( -2.015 0.721 -5.934) 6.308 2.446 ( -2.015 0.721 5.934) 6.308 3.101 ( 0.795 5.870 -6.734) 8.969 3.101 ( 0.795 5.870 6.734) 8.969 3.207 ( 0.442 0.558 -4.546) 4.601 3.207 ( 0.442 0.558 4.546) 4.601 3.569 ( -3.754 0.408 -1.522) 4.071 3.569 ( -3.754 0.408 1.522) 4.071 4.392 ( -6.155 -5.675 -6.435) 10.559 4.392 ( -6.155 -5.675 6.435) 10.559 4.856 ( 5.098 1.404 -6.592) 8.451 4.856 ( 5.098 1.404 6.592) 8.451 5.284 ( -4.878 -7.823 -13.855) 16.642 5.284 ( -4.878 -7.823 13.855) 16.642 5.857 ( -1.874 10.438 -30.017) 31.836 5.857 ( -1.874 10.438 30.017) 31.836 6.356 ( -5.036 2.316 -7.864) 9.621 6.356 ( -5.036 2.316 7.864) 9.621 7.793 ( -8.151 -17.561 -3.001) 19.592 7.793 ( -8.151 -17.561 3.001) 19.592 8.204 ( -3.393 10.978 -10.394) 15.494 8.204 ( -3.393 10.978 10.394) 15.494 8.750 ( -2.902 -0.681 -3.747) 4.788 8.750 ( -2.902 -0.681 3.747) 4.788 9.034 ( 3.050 0.528 -4.534) 5.490 9.034 ( 3.050 0.528 4.534) 5.490 9.928 ( 1.847 1.765 -3.117) 4.030 9.928 ( 1.847 1.765 3.117) 4.030 10.235 ( 5.519 0.021 -3.473) 6.521 10.235 ( 5.519 0.021 3.473) 6.521 11.628 ( -0.951 -2.967 -2.352) 3.904 11.628 ( -0.951 -2.967 2.352) 3.904 11.799 ( 9.435 4.363 -5.519) 11.769 11.799 ( 9.435 4.363 5.519) 11.769 12.442 ( -12.508 3.155 -17.352) 21.622 12.442 ( -12.508 3.155 17.352) 21.622 12.740 ( 17.900 -2.671 -20.385) 27.260 12.740 ( 17.900 -2.671 20.385) 27.260 14.788 ( -3.970 -3.551 -2.621) 5.937 14.788 ( -3.970 -3.551 2.621) 5.937 16.790 ( -3.443 -0.577 -0.839) 3.591 16.790 ( -3.443 -0.577 0.839) 3.591 17.313 ( 1.323 1.760 -8.671) 8.947 17.313 ( 1.323 1.760 8.671) 8.947 19.158 ( -0.879 -0.065 -2.343) 2.503 19.158 ( -0.879 -0.065 2.343) 2.503 ======================= Grid point 390 (112/147) ======================= q-point: (-0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -2.045 -0.141 -4.026) 4.518 1.757 ( -2.045 -0.141 4.026) 4.518 2.367 ( -5.634 0.563 -5.294) 7.752 2.367 ( -5.634 0.563 5.294) 7.752 2.965 ( -6.966 12.366 -7.086) 15.863 2.965 ( -6.966 12.366 7.086) 15.863 3.170 ( -6.184 3.410 -2.973) 7.662 3.170 ( -6.184 3.410 2.973) 7.662 3.448 ( -6.123 -0.623 -2.815) 6.768 3.448 ( -6.123 -0.623 2.815) 6.768 4.243 ( -12.375 -2.431 -3.653) 13.130 4.243 ( -12.375 -2.431 3.653) 13.130 4.920 ( 2.765 1.848 -6.868) 7.631 4.920 ( 2.765 1.848 6.868) 7.631 5.260 ( -4.399 -8.823 -13.129) 16.418 5.260 ( -4.399 -8.823 13.129) 16.418 5.654 ( -10.644 10.445 -27.363) 31.163 5.654 ( -10.644 10.445 27.363) 31.163 6.258 ( -7.431 -5.808 -11.293) 14.713 6.258 ( -7.431 -5.808 11.293) 14.713 7.686 ( -14.977 -18.009 -2.325) 23.538 7.686 ( -14.977 -18.009 2.325) 23.538 7.974 ( -12.173 12.252 -9.328) 19.629 7.974 ( -12.173 12.252 9.328) 19.629 8.651 ( -7.439 -0.619 -6.893) 10.161 8.651 ( -7.439 -0.619 6.893) 10.161 9.136 ( 7.780 0.714 -10.119) 12.784 9.136 ( 7.780 0.714 10.119) 12.784 9.963 ( 5.057 4.174 -2.336) 6.961 9.963 ( 5.057 4.174 2.336) 6.961 10.416 ( 12.102 0.465 -9.599) 15.453 10.416 ( 12.102 0.465 9.599) 15.453 11.642 ( 0.400 -3.213 -3.794) 4.988 11.642 ( 0.400 -3.213 3.794) 4.988 12.032 ( 18.445 8.409 -7.962) 21.779 12.032 ( 18.445 8.409 7.962) 21.779 12.218 ( -6.974 4.022 -13.049) 15.333 12.218 ( -6.974 4.022 13.049) 15.333 13.136 ( 20.613 -2.013 -19.996) 28.788 13.136 ( 20.613 -2.013 19.996) 28.788 14.761 ( -3.391 -9.698 -2.890) 10.673 14.761 ( -3.391 -9.698 2.890) 10.673 16.711 ( -6.481 -3.616 -2.348) 7.784 16.711 ( -6.481 -3.616 2.348) 7.784 17.321 ( 0.920 2.069 -8.598) 8.892 17.321 ( 0.920 2.069 8.598) 8.892 19.095 ( -5.071 2.270 -3.116) 6.370 19.095 ( -5.071 2.270 3.116) 6.370 ======================= Grid point 392 (113/147) ======================= q-point: (-0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -3.645 0.940 -2.213) 4.366 1.702 ( -3.645 0.940 2.213) 4.366 2.228 ( -8.149 1.429 -3.247) 8.887 2.228 ( -8.149 1.429 3.247) 8.887 2.701 ( -10.307 16.160 -7.000) 20.406 2.701 ( -10.307 16.160 7.000) 20.406 2.908 ( -16.384 4.121 -6.231) 18.007 2.908 ( -16.384 4.121 6.231) 18.007 3.389 ( -1.233 1.278 -2.050) 2.712 3.389 ( -1.233 1.278 2.050) 2.712 3.983 ( -14.975 -2.452 -8.118) 17.210 3.983 ( -14.975 -2.452 8.118) 17.210 4.908 ( -7.011 -3.940 -8.257) 11.526 4.908 ( -7.011 -3.940 8.257) 11.526 5.182 ( -6.677 3.450 -6.900) 10.203 5.182 ( -6.677 3.450 6.900) 10.203 5.387 ( -9.898 3.138 -20.323) 22.822 5.387 ( -9.898 3.138 20.323) 22.822 6.120 ( -12.752 -9.428 -11.676) 19.694 6.120 ( -12.752 -9.428 11.676) 19.694 7.434 ( -22.535 -5.816 -4.444) 23.694 7.434 ( -22.535 -5.816 4.444) 23.694 7.656 ( -12.140 0.020 -0.545) 12.152 7.656 ( -12.140 0.020 0.545) 12.152 8.493 ( -8.637 0.588 -11.944) 14.751 8.493 ( -8.637 0.588 11.944) 14.751 9.307 ( 10.148 0.557 -11.376) 15.254 9.307 ( 10.148 0.557 11.376) 15.254 10.100 ( 12.888 5.448 -0.309) 13.996 10.100 ( 12.888 5.448 0.309) 13.996 10.632 ( 10.029 1.315 -13.107) 16.556 10.632 ( 10.029 1.315 13.107) 16.556 11.702 ( 4.174 -2.834 -5.629) 7.560 11.702 ( 4.174 -2.834 5.629) 7.560 12.124 ( 1.480 4.042 -8.476) 9.506 12.124 ( 1.480 4.042 8.476) 9.506 12.375 ( 22.504 12.118 -9.084) 27.125 12.375 ( 22.504 12.118 9.084) 27.125 13.529 ( 19.057 -1.462 -17.508) 25.920 13.529 ( 19.057 -1.462 17.508) 25.920 14.795 ( -1.527 -15.600 -2.569) 15.884 14.795 ( -1.527 -15.600 2.569) 15.884 16.582 ( -10.442 -5.421 -6.436) 13.411 16.582 ( -10.442 -5.421 6.436) 13.411 17.321 ( -0.251 0.186 -7.707) 7.713 17.321 ( -0.251 0.186 7.707) 7.713 18.935 ( -9.108 4.962 -3.597) 10.978 18.935 ( -9.108 4.962 3.597) 10.978 ======================= Grid point 394 (114/147) ======================= q-point: (-0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -5.003 5.186 -1.099) 7.289 1.600 ( -5.003 5.186 1.099) 7.289 2.040 ( -9.340 4.791 -2.167) 10.719 2.040 ( -9.340 4.791 2.167) 10.719 2.379 ( -14.046 9.458 -2.636) 17.137 2.379 ( -14.046 9.458 2.636) 17.137 2.563 ( -13.814 8.365 -8.796) 18.389 2.563 ( -13.814 8.365 8.796) 18.389 3.338 ( -2.247 5.911 -2.483) 6.793 3.338 ( -2.247 5.911 2.483) 6.793 3.765 ( -10.864 -8.704 -8.745) 16.439 3.765 ( -10.864 -8.704 8.745) 16.439 4.649 ( -20.637 -2.798 -27.664) 34.627 4.649 ( -20.637 -2.798 27.664) 34.627 4.967 ( -11.050 7.595 -13.027) 18.695 4.967 ( -11.050 7.595 13.027) 18.695 5.275 ( -4.410 -3.564 -7.757) 9.609 5.275 ( -4.410 -3.564 7.757) 9.609 5.900 ( -15.065 -7.031 -14.148) 21.830 5.900 ( -15.065 -7.031 14.148) 21.830 6.926 ( -27.219 7.663 -5.760) 28.858 6.926 ( -27.219 7.663 5.760) 28.858 7.546 ( -6.252 -14.082 -6.374) 16.674 7.546 ( -6.252 -14.082 6.374) 16.674 8.334 ( -6.467 2.321 -16.706) 18.063 8.334 ( -6.467 2.321 16.706) 18.063 9.500 ( 9.855 -0.281 -8.793) 13.210 9.500 ( 9.855 -0.281 8.793) 13.210 10.359 ( 17.000 6.015 -1.809) 18.123 10.359 ( 17.000 6.015 1.809) 18.123 10.776 ( 7.256 2.205 -10.387) 12.860 10.776 ( 7.256 2.205 10.387) 12.860 11.815 ( 5.001 -0.840 -6.462) 8.214 11.815 ( 5.001 -0.840 6.462) 8.214 12.238 ( 13.376 2.110 -8.734) 16.114 12.238 ( 13.376 2.110 8.734) 16.114 12.701 ( 19.260 12.560 -7.148) 24.078 12.701 ( 19.260 12.560 7.148) 24.078 13.875 ( 16.231 -0.904 -14.189) 21.578 13.875 ( 16.231 -0.904 14.189) 21.578 14.918 ( 2.783 -18.568 -1.125) 18.809 14.918 ( 2.783 -18.568 1.125) 18.809 16.382 ( -14.157 -5.649 -11.926) 19.353 16.382 ( -14.157 -5.649 11.926) 19.353 17.304 ( -3.275 -4.528 -6.267) 8.396 17.304 ( -3.275 -4.528 6.267) 8.396 18.688 ( -11.765 8.522 -3.104) 14.855 18.688 ( -11.765 8.522 3.104) 14.855 ======================= Grid point 396 (115/147) ======================= q-point: (-0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -3.332 14.893 -0.595) 15.273 1.450 ( -3.332 14.893 0.595) 15.273 1.809 ( -11.229 5.921 -2.437) 12.926 1.809 ( -11.229 5.921 2.437) 12.926 2.076 ( -12.491 -0.183 -5.830) 13.785 2.076 ( -12.491 -0.183 5.830) 13.785 2.310 ( -6.203 10.590 -7.854) 14.571 2.310 ( -6.203 10.590 7.854) 14.571 3.226 ( -5.423 5.751 -11.549) 13.995 3.226 ( -5.423 5.751 11.549) 13.995 3.661 ( -8.325 -9.882 -5.620) 14.090 3.661 ( -8.325 -9.882 5.620) 14.090 4.273 ( -16.543 -0.177 -26.803) 31.497 4.273 ( -16.543 -0.177 26.803) 31.497 4.687 ( -14.301 1.670 -13.980) 20.069 4.687 ( -14.301 1.670 13.980) 20.069 5.176 ( -10.246 -5.999 -0.562) 11.886 5.176 ( -10.246 -5.999 0.562) 11.886 5.695 ( -7.592 0.458 -19.113) 20.570 5.695 ( -7.592 0.458 19.113) 20.570 6.368 ( -24.395 7.897 -3.732) 25.912 6.368 ( -24.395 7.897 3.732) 25.912 7.551 ( -3.468 -12.575 -6.489) 14.569 7.551 ( -3.468 -12.575 6.489) 14.569 8.235 ( -2.250 1.300 -18.946) 19.124 8.235 ( -2.250 1.300 18.946) 19.124 9.674 ( 7.506 -1.342 -5.770) 9.562 9.674 ( 7.506 -1.342 5.770) 9.562 10.625 ( 14.147 5.929 -2.622) 15.561 10.625 ( 14.147 5.929 2.622) 15.561 10.928 ( 11.486 2.911 -3.397) 12.326 10.928 ( 11.486 2.911 3.397) 12.326 11.881 ( 2.114 0.958 -4.768) 5.303 11.881 ( 2.114 0.958 4.768) 5.303 12.584 ( 21.693 -0.347 -10.456) 24.084 12.584 ( 21.693 -0.347 10.456) 24.084 12.921 ( 10.367 6.138 -3.892) 12.660 12.921 ( 10.367 6.138 3.892) 12.660 14.150 ( 11.773 0.035 -10.276) 15.627 14.150 ( 11.773 0.035 10.276) 15.627 15.144 ( 8.616 -15.214 -0.779) 17.502 15.144 ( 8.616 -15.214 0.779) 17.502 16.137 ( -13.987 -4.906 -17.453) 22.898 16.137 ( -13.987 -4.906 17.453) 22.898 17.239 ( -9.956 -12.338 -3.615) 16.261 17.239 ( -9.956 -12.338 3.615) 16.261 18.393 ( -10.704 14.005 -1.961) 17.736 18.393 ( -10.704 14.005 1.961) 17.736 ======================= Grid point 398 (116/147) ======================= q-point: (-0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 0.331 23.574 -8.024) 24.905 1.292 ( 0.331 23.574 8.024) 24.905 1.565 ( -9.504 3.224 -18.734) 21.252 1.565 ( -9.504 3.224 18.734) 21.252 1.954 ( -1.793 -2.375 -4.273) 5.207 1.954 ( -1.793 -2.375 4.273) 5.207 2.171 ( -2.945 5.243 -11.203) 12.715 2.171 ( -2.945 5.243 11.203) 12.715 3.034 ( -11.506 3.074 -29.514) 31.826 3.034 ( -11.506 3.074 29.514) 31.826 3.544 ( -6.435 -1.785 -11.731) 13.498 3.544 ( -6.435 -1.785 11.731) 13.498 4.112 ( -1.791 -2.174 -8.357) 8.819 4.112 ( -1.791 -2.174 8.357) 8.819 4.434 ( -11.628 -3.284 -18.082) 21.748 4.434 ( -11.628 -3.284 18.082) 21.748 5.000 ( -10.381 -6.079 -1.810) 12.165 5.000 ( -10.381 -6.079 1.810) 12.165 5.602 ( -0.906 5.200 -19.123) 19.839 5.602 ( -0.906 5.200 19.123) 19.839 5.937 ( -15.081 5.711 -2.714) 16.353 5.937 ( -15.081 5.711 2.714) 16.353 7.559 ( -2.340 -6.535 -7.728) 10.388 7.559 ( -2.340 -6.535 7.728) 10.388 8.229 ( 0.731 -2.165 -18.635) 18.774 8.229 ( 0.731 -2.165 18.635) 18.774 9.798 ( 4.148 -2.158 -4.011) 6.160 9.798 ( 4.148 -2.158 4.011) 6.160 10.796 ( 7.496 5.846 -2.295) 9.779 10.796 ( 7.496 5.846 2.295) 9.779 11.183 ( 15.785 2.451 -4.595) 16.622 11.183 ( 15.785 2.451 4.595) 16.622 11.887 ( -0.731 1.002 -3.209) 3.440 11.887 ( -0.731 1.002 3.209) 3.440 12.947 ( 8.116 -6.873 -3.854) 11.313 12.947 ( 8.116 -6.873 3.854) 11.313 13.083 ( 13.189 0.352 -6.250) 14.599 13.083 ( 13.189 0.352 6.250) 14.599 14.306 ( 4.388 -0.464 -6.621) 7.956 14.306 ( 4.388 -0.464 6.621) 7.956 15.368 ( 4.412 -4.585 -6.122) 8.830 15.368 ( 4.412 -4.585 6.122) 8.830 16.008 ( 0.601 -4.023 -13.003) 13.624 16.008 ( 0.601 -4.023 13.003) 13.624 17.078 ( -18.047 -22.691 -3.252) 29.174 17.078 ( -18.047 -22.691 3.252) 29.174 18.123 ( -4.965 20.726 -5.595) 22.035 18.123 ( -4.965 20.726 5.595) 22.035 ======================= Grid point 400 (117/147) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -0.000 21.944 -15.070) 26.621 1.147 ( -0.000 21.944 15.070) 26.621 1.449 ( -0.000 2.312 -23.048) 23.163 1.449 ( -0.000 2.312 23.048) 23.163 1.961 ( 0.000 -0.410 -2.097) 2.136 1.961 ( 0.000 -0.410 2.097) 2.136 2.140 ( 0.000 -0.830 -14.932) 14.955 2.140 ( 0.000 -0.830 14.932) 14.955 2.863 ( -0.000 2.320 -42.339) 42.403 2.863 ( -0.000 2.320 42.339) 42.403 3.482 ( -0.000 1.606 -10.864) 10.983 3.482 ( -0.000 1.606 10.864) 10.983 4.128 ( 0.000 -0.791 -17.984) 18.002 4.128 ( 0.000 -0.791 17.984) 18.002 4.343 ( 0.000 -6.128 -32.603) 33.174 4.343 ( 0.000 -6.128 32.603) 33.174 4.925 ( 0.000 -4.349 -1.868) 4.734 4.925 ( 0.000 -4.349 1.868) 4.734 5.569 ( -0.000 4.821 -18.615) 19.229 5.569 ( -0.000 4.821 18.615) 19.229 5.749 ( -0.000 4.331 -4.449) 6.209 5.749 ( -0.000 4.331 4.449) 6.209 7.563 ( 0.000 -2.785 -11.404) 11.739 7.563 ( 0.000 -2.785 11.404) 11.739 8.260 ( 0.000 -3.134 -18.808) 19.067 8.260 ( 0.000 -3.134 18.808) 19.067 9.853 ( 0.000 -2.160 -3.466) 4.083 9.853 ( 0.000 -2.160 3.466) 4.083 10.831 ( -0.000 4.919 -1.880) 5.266 10.831 ( -0.000 4.919 1.880) 5.266 11.362 ( -0.000 1.937 -10.263) 10.444 11.362 ( -0.000 1.937 10.263) 10.444 11.864 ( -0.000 0.198 -10.074) 10.076 11.864 ( -0.000 0.198 10.074) 10.076 13.057 ( 0.000 -10.823 -0.991) 10.869 13.057 ( 0.000 -10.823 0.991) 10.869 13.266 ( 0.000 -0.230 -13.116) 13.118 13.266 ( 0.000 -0.230 13.116) 13.118 14.346 ( 0.000 -1.449 -5.001) 5.206 14.346 ( 0.000 -1.449 5.001) 5.206 15.382 ( -0.000 1.177 -17.028) 17.068 15.382 ( -0.000 1.177 17.028) 17.068 16.106 ( -0.000 0.017 -2.935) 2.935 16.106 ( -0.000 0.017 2.935) 2.935 17.017 ( 0.000 -30.038 -9.045) 31.370 17.017 ( 0.000 -30.038 9.045) 31.370 17.929 ( -0.000 24.462 -7.247) 25.513 17.929 ( -0.000 24.462 7.247) 25.513 ======================= Grid point 406 (118/147) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 9.553 0.000 -4.566) 10.588 1.634 ( 9.553 0.000 4.566) 10.588 2.134 ( 15.298 0.000 -11.607) 19.203 2.134 ( 15.298 0.000 11.607) 19.203 2.371 ( 7.128 0.000 -6.390) 9.572 2.371 ( 7.128 0.000 6.390) 9.572 2.853 ( 18.960 0.000 -10.586) 21.715 2.853 ( 18.960 0.000 10.586) 21.715 3.291 ( 4.368 0.000 -3.463) 5.574 3.291 ( 4.368 0.000 3.463) 5.574 4.094 ( 6.532 0.000 -5.537) 8.563 4.094 ( 6.532 0.000 5.537) 8.563 4.808 ( 0.164 0.000 -3.810) 3.814 4.808 ( 0.164 0.000 3.810) 3.814 5.104 ( 18.249 0.000 -33.959) 38.552 5.104 ( 18.249 0.000 33.959) 38.552 5.456 ( 5.732 0.000 -14.778) 15.851 5.456 ( 5.732 0.000 14.778) 15.851 6.623 ( 21.223 0.000 -8.640) 22.914 6.623 ( 21.223 0.000 8.640) 22.914 7.003 ( 14.845 0.000 -2.021) 14.982 7.003 ( 14.845 0.000 2.021) 14.982 8.051 ( 10.594 0.000 -4.673) 11.579 8.051 ( 10.594 0.000 4.673) 11.579 8.378 ( 9.704 0.000 -18.092) 20.530 8.378 ( 9.704 0.000 18.092) 20.530 9.318 ( -10.455 -0.000 -10.211) 14.614 9.318 ( -10.455 -0.000 10.211) 14.614 9.960 ( -11.215 -0.000 -0.272) 11.218 9.960 ( -11.215 -0.000 0.272) 11.218 10.595 ( -8.940 -0.000 -14.074) 16.673 10.595 ( -8.940 -0.000 14.074) 16.673 11.782 ( -2.166 -0.000 -7.113) 7.435 11.782 ( -2.166 -0.000 7.113) 7.435 12.006 ( -3.487 -0.000 -8.109) 8.827 12.006 ( -3.487 -0.000 8.109) 8.827 12.104 ( -18.435 -0.000 -4.143) 18.895 12.104 ( -18.435 -0.000 4.143) 18.895 13.560 ( -18.580 -0.000 -17.844) 25.761 13.560 ( -18.580 -0.000 17.844) 25.761 15.149 ( -6.557 -0.000 -1.540) 6.735 15.149 ( -6.557 -0.000 1.540) 6.735 16.706 ( 10.769 0.000 -10.641) 15.140 16.706 ( 10.769 0.000 10.641) 15.140 17.391 ( -4.599 -0.000 -2.257) 5.123 17.391 ( -4.599 -0.000 2.257) 5.123 18.762 ( 13.236 0.000 -1.804) 13.358 18.762 ( 13.236 0.000 1.804) 13.358 ======================= Grid point 408 (119/147) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 3.302 -0.194 -5.034) 6.024 1.751 ( 3.302 -0.194 5.034) 6.024 2.391 ( 7.978 0.961 -6.869) 10.571 2.391 ( 7.978 0.961 6.869) 10.571 2.589 ( 16.275 -3.845 -8.906) 18.947 2.589 ( 16.275 -3.845 8.906) 18.947 3.144 ( 11.292 1.644 -4.909) 12.422 3.144 ( 11.292 1.644 4.909) 12.422 3.396 ( 6.085 -2.083 -3.490) 7.318 3.396 ( 6.085 -2.083 3.490) 7.318 4.218 ( 6.176 -0.794 -5.791) 8.504 4.218 ( 6.176 -0.794 5.791) 8.504 4.788 ( -2.337 -1.405 -4.644) 5.385 4.788 ( -2.337 -1.405 4.644) 5.385 5.303 ( 2.928 -0.414 -3.464) 4.554 5.303 ( 2.928 -0.414 3.464) 4.554 5.656 ( 14.566 1.020 -18.820) 23.820 5.656 ( 14.566 1.020 18.820) 23.820 6.819 ( 4.689 14.718 -7.049) 16.979 6.819 ( 4.689 14.718 7.049) 16.979 7.287 ( 9.484 -14.805 -2.368) 17.741 7.287 ( 9.484 -14.805 2.368) 17.741 8.257 ( 11.860 6.024 -4.003) 13.891 8.257 ( 11.860 6.024 4.003) 13.891 8.570 ( 8.445 -2.751 -8.978) 12.629 8.570 ( 8.445 -2.751 8.978) 12.629 9.141 ( -7.442 0.334 -9.567) 12.125 9.141 ( -7.442 0.334 9.567) 12.125 9.842 ( -1.467 -0.953 -1.062) 2.047 9.842 ( -1.467 -0.953 1.062) 2.047 10.395 ( -11.041 -0.226 -9.903) 14.833 10.395 ( -11.041 -0.226 9.903) 14.833 11.730 ( -5.056 -0.282 -3.323) 6.057 11.730 ( -5.056 -0.282 3.323) 6.057 11.816 ( -9.319 -0.341 -1.247) 9.409 11.816 ( -9.319 -0.341 1.247) 9.409 12.069 ( 8.507 -1.626 -14.551) 16.933 12.069 ( 8.507 -1.626 14.551) 16.933 13.190 ( -19.693 0.390 -20.271) 28.265 13.190 ( -19.693 0.390 20.271) 28.265 15.015 ( -6.744 1.712 -2.346) 7.343 15.015 ( -6.744 1.712 2.346) 7.343 16.853 ( 4.681 1.427 -7.414) 8.884 16.853 ( 4.681 1.427 7.414) 8.884 17.318 ( -2.202 0.534 -4.581) 5.111 17.318 ( -2.202 0.534 4.581) 5.111 18.974 ( 8.410 -1.472 -1.297) 8.636 18.974 ( 8.410 -1.472 1.297) 8.636 ======================= Grid point 410 (120/147) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 0.573 -0.023 -5.376) 5.407 1.785 ( 0.573 -0.023 5.376) 5.407 2.467 ( 1.889 1.149 -5.642) 6.059 2.467 ( 1.889 1.149 5.642) 6.059 2.926 ( 13.868 -3.607 -6.590) 15.772 2.926 ( 13.868 -3.607 6.590) 15.772 3.268 ( 5.022 5.688 -3.123) 8.205 3.268 ( 5.022 5.688 3.123) 8.205 3.527 ( 4.665 -3.062 -2.780) 6.235 3.527 ( 4.665 -3.062 2.780) 6.235 4.313 ( 0.283 -5.730 -2.425) 6.229 4.313 ( 0.283 -5.730 2.425) 6.229 4.770 ( 1.076 -0.692 -1.465) 1.945 4.770 ( 1.076 -0.692 1.465) 1.945 5.294 ( -3.746 -1.654 -16.258) 16.766 5.294 ( -3.746 -1.654 16.258) 16.766 5.899 ( 10.730 2.970 -30.789) 32.740 5.899 ( 10.730 2.970 30.789) 32.740 6.690 ( -5.726 16.047 -4.428) 17.604 6.690 ( -5.726 16.047 4.428) 17.604 7.502 ( 0.888 -17.862 -2.435) 18.049 7.502 ( 0.888 -17.862 2.435) 18.049 8.374 ( 4.505 7.441 -9.789) 13.095 8.374 ( 4.505 7.441 9.789) 13.095 8.713 ( 4.251 -2.150 -2.896) 5.575 8.713 ( 4.251 -2.150 2.897) 5.575 9.041 ( -2.633 0.517 -4.513) 5.250 9.041 ( -2.633 0.517 4.513) 5.250 9.882 ( 3.713 -0.395 -3.206) 4.922 9.882 ( 3.713 -0.395 3.206) 4.922 10.231 ( -4.989 -0.123 -3.348) 6.010 10.231 ( -4.989 -0.123 3.348) 6.010 11.615 ( -4.436 -2.330 -1.867) 5.347 11.615 ( -4.436 -2.330 1.867) 5.347 11.758 ( 1.091 1.585 -4.784) 5.156 11.758 ( 1.091 1.585 4.784) 5.156 12.321 ( 15.829 -1.843 -19.098) 24.873 12.321 ( 15.829 -1.843 19.098) 24.873 12.821 ( -17.943 0.958 -20.548) 27.296 12.821 ( -17.943 0.958 20.548) 27.296 14.875 ( -7.010 0.582 -3.079) 7.678 14.875 ( -7.010 0.582 3.079) 7.678 16.865 ( -1.759 1.785 -4.106) 4.810 16.865 ( -1.759 1.785 4.106) 4.810 17.310 ( 1.467 0.852 -7.308) 7.502 17.310 ( 1.467 0.852 7.308) 7.502 19.103 ( 4.129 -1.605 -1.622) 4.718 19.103 ( 4.129 -1.605 1.622) 4.718 ======================= Grid point 412 (121/147) ======================= q-point: (-0.62 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -0.895 -0.114 -4.792) 4.877 1.781 ( -0.895 -0.114 4.792) 4.877 2.458 ( -2.112 0.972 -5.265) 5.756 2.458 ( -2.112 0.972 5.265) 5.756 3.128 ( 5.377 -1.714 -1.511) 5.842 3.128 ( 5.377 -1.714 1.511) 5.842 3.275 ( 1.142 9.685 -7.960) 12.588 3.275 ( 1.142 9.685 7.960) 12.588 3.572 ( -2.118 -0.148 -0.980) 2.339 3.572 ( -2.118 -0.148 0.980) 2.339 4.290 ( -6.967 -9.119 -5.037) 12.533 4.290 ( -6.967 -9.119 5.037) 12.533 4.854 ( 5.549 -1.396 -5.006) 7.603 4.854 ( 5.549 -1.396 5.006) 7.603 5.203 ( -6.712 -3.767 -15.720) 17.504 5.203 ( -6.712 -3.767 15.720) 17.504 5.989 ( 1.464 7.758 -30.921) 31.913 5.989 ( 1.464 7.758 30.921) 31.913 6.440 ( -10.129 10.099 -3.863) 14.816 6.440 ( -10.129 10.099 3.863) 14.816 7.549 ( -8.392 -18.384 -1.902) 20.298 7.549 ( -8.392 -18.384 1.902) 20.298 8.327 ( -4.308 7.308 -11.002) 13.892 8.327 ( -4.308 7.308 11.002) 13.892 8.738 ( -2.904 -1.001 -2.483) 3.950 8.738 ( -2.904 -1.001 2.483) 3.950 9.042 ( 3.194 0.589 -3.932) 5.101 9.042 ( 3.194 0.589 3.932) 5.101 9.950 ( 3.549 1.466 -3.685) 5.322 9.950 ( 3.549 1.466 3.685) 5.322 10.235 ( 5.561 -0.017 -3.502) 6.571 10.235 ( 5.561 -0.017 3.502) 6.571 11.594 ( -0.649 -2.160 -1.632) 2.784 11.594 ( -0.649 -2.160 1.632) 2.784 11.849 ( 11.168 3.090 -6.520) 13.296 11.849 ( 11.168 3.090 6.520) 13.296 12.479 ( -11.841 2.381 -16.974) 20.833 12.479 ( -11.841 2.381 16.974) 20.833 12.706 ( 18.110 -2.258 -19.944) 27.034 12.706 ( 18.110 -2.258 19.944) 27.034 14.744 ( -7.475 -2.982 -3.875) 8.932 14.744 ( -7.475 -2.982 3.875) 8.932 16.788 ( -5.198 0.099 -1.750) 5.486 16.788 ( -5.198 0.099 1.750) 5.486 17.340 ( 2.203 2.074 -8.967) 9.463 17.340 ( 2.203 2.074 8.967) 9.463 19.152 ( 0.114 -0.748 -2.302) 2.423 19.152 ( 0.114 -0.748 2.302) 2.423 ======================= Grid point 414 (122/147) ======================= q-point: (-0.54 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -1.937 -0.197 -3.639) 4.127 1.755 ( -1.937 -0.197 3.639) 4.127 2.378 ( -5.471 0.909 -4.937) 7.425 2.378 ( -5.471 0.909 4.937) 7.425 3.124 ( -3.568 9.745 -3.742) 11.032 3.124 ( -3.568 9.745 3.742) 11.032 3.211 ( -3.942 4.178 -6.467) 8.650 3.211 ( -3.942 4.178 6.467) 8.650 3.452 ( -7.101 1.744 -1.792) 7.528 3.452 ( -7.101 1.744 1.792) 7.528 4.183 ( -10.608 -6.815 -3.010) 12.963 4.183 ( -10.608 -6.815 3.010) 12.963 4.901 ( -4.307 -5.142 -6.953) 9.661 4.901 ( -4.307 -5.142 6.953) 9.661 5.165 ( 1.246 -3.661 -8.208) 9.073 5.165 ( 1.246 -3.661 8.208) 9.073 5.828 ( -9.947 14.270 -23.732) 29.424 5.828 ( -9.947 14.270 23.732) 29.424 6.217 ( -10.059 -0.606 -9.638) 13.944 6.217 ( -10.059 -0.606 9.638) 13.944 7.439 ( -15.251 -18.632 -1.242) 24.110 7.439 ( -15.251 -18.632 1.242) 24.110 8.112 ( -12.746 8.487 -10.180) 18.388 8.112 ( -12.746 8.487 10.180) 18.388 8.636 ( -7.779 -1.443 -5.145) 9.437 8.636 ( -7.779 -1.443 5.145) 9.437 9.147 ( 8.025 0.908 -10.221) 13.027 9.147 ( 8.025 0.908 10.221) 13.027 10.015 ( 6.128 3.622 -2.746) 7.630 10.015 ( 6.128 3.622 2.746) 7.630 10.420 ( 12.513 0.266 -9.453) 15.685 10.420 ( 12.513 0.266 9.453) 15.685 11.603 ( 0.454 -2.501 -3.512) 4.336 11.603 ( 0.454 -2.501 3.512) 4.336 12.138 ( 21.358 7.317 -9.479) 24.486 12.138 ( 21.358 7.317 9.479) 24.486 12.265 ( -6.836 3.031 -13.389) 15.336 12.265 ( -6.836 3.031 13.389) 15.336 13.110 ( 21.058 -1.833 -19.867) 29.008 13.110 ( 21.058 -1.833 19.867) 29.008 14.635 ( -7.729 -8.816 -4.683) 12.625 14.635 ( -7.729 -8.816 4.683) 12.625 16.671 ( -7.991 -2.479 -0.759) 8.401 16.671 ( -7.991 -2.479 0.759) 8.401 17.356 ( 1.046 2.859 -9.642) 10.111 17.356 ( 1.046 2.859 9.642) 10.111 19.115 ( -3.974 0.885 -3.236) 5.201 19.115 ( -3.974 0.885 3.236) 5.201 ======================= Grid point 416 (123/147) ======================= q-point: (-0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -2.818 0.272 -1.849) 3.382 1.710 ( -2.818 0.272 1.849) 3.382 2.245 ( -7.470 1.181 -4.199) 8.650 2.245 ( -7.470 1.181 4.199) 8.650 2.902 ( -13.541 11.975 -5.882) 19.010 2.902 ( -13.541 11.975 5.882) 19.010 2.981 ( -11.460 8.384 -6.763) 15.728 2.981 ( -11.460 8.384 6.763) 15.728 3.395 ( 0.446 0.065 -1.180) 1.263 3.395 ( 0.446 0.065 1.180) 1.263 3.955 ( -15.633 -2.077 -4.948) 16.528 3.955 ( -15.633 -2.077 4.948) 16.528 4.802 ( -11.519 -11.111 -15.039) 21.962 4.802 ( -11.519 -11.111 15.039) 21.962 5.216 ( 1.313 2.382 -9.598) 9.976 5.216 ( 1.313 2.382 9.598) 9.976 5.495 ( -13.901 11.909 -19.693) 26.887 5.495 ( -13.901 11.909 19.693) 26.887 6.027 ( -12.292 -5.040 -14.113) 19.382 6.027 ( -12.292 -5.040 14.113) 19.382 7.245 ( -17.252 -17.875 -1.437) 24.884 7.245 ( -17.252 -17.875 1.437) 24.884 7.741 ( -19.222 8.098 -7.320) 22.105 7.741 ( -19.222 8.098 7.320) 22.105 8.488 ( -8.099 -1.115 -9.276) 12.364 8.488 ( -8.099 -1.115 9.276) 12.364 9.319 ( 10.136 1.128 -12.042) 15.781 9.319 ( 10.136 1.128 12.042) 15.781 10.170 ( 13.364 4.962 -0.307) 14.259 10.170 ( 13.364 4.962 0.307) 14.259 10.648 ( 10.591 1.088 -12.515) 16.431 10.648 ( 10.591 1.088 12.515) 16.431 11.667 ( 4.879 -2.493 -5.589) 7.826 11.667 ( 4.879 -2.493 5.589) 7.826 12.173 ( 0.745 3.390 -9.208) 9.841 12.173 ( 0.745 3.390 9.208) 9.841 12.543 ( 25.822 12.993 -11.012) 30.933 12.543 ( 25.822 12.993 11.012) 30.933 13.508 ( 19.111 -1.685 -17.258) 25.805 13.508 ( 19.111 -1.685 17.258) 25.805 14.582 ( -5.826 -16.066 -4.696) 17.723 14.582 ( -5.826 -16.066 4.696) 17.723 16.510 ( -11.620 -5.143 -3.945) 13.305 16.510 ( -11.620 -5.143 3.945) 13.305 17.338 ( -1.327 2.125 -9.341) 9.671 17.338 ( -1.327 2.125 9.341) 9.671 18.989 ( -7.756 3.164 -3.852) 9.220 18.989 ( -7.756 3.164 3.852) 9.220 ======================= Grid point 418 (124/147) ======================= q-point: (-0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -2.977 2.020 -1.438) 3.875 1.645 ( -2.977 2.020 1.438) 3.875 2.086 ( -7.827 2.406 -2.044) 8.439 2.086 ( -7.827 2.406 2.044) 8.439 2.488 ( -21.057 6.288 -5.870) 22.746 2.488 ( -21.057 6.288 5.870) 22.746 2.730 ( -7.341 15.883 -5.538) 18.353 2.730 ( -7.341 15.883 5.538) 18.353 3.407 ( 0.953 3.689 -0.325) 3.824 3.407 ( 0.953 3.689 0.325) 3.824 3.669 ( -14.857 -4.774 -8.916) 17.973 3.669 ( -14.857 -4.774 8.916) 17.973 4.581 ( -18.151 -7.639 -23.607) 30.743 4.581 ( -18.151 -7.639 23.607) 30.743 5.060 ( -14.971 6.383 -14.948) 22.098 5.060 ( -14.971 6.383 14.948) 22.098 5.263 ( -5.367 2.312 -8.393) 10.228 5.263 ( -5.367 2.312 8.393) 10.228 5.827 ( -10.820 -4.161 -17.613) 21.085 5.827 ( -10.820 -4.161 17.613) 21.085 6.962 ( -22.983 -3.698 -3.366) 23.520 6.962 ( -22.983 -3.698 3.366) 23.520 7.395 ( -12.105 -6.985 -2.961) 14.286 7.395 ( -12.105 -6.985 2.961) 14.286 8.353 ( -6.024 0.660 -13.560) 14.853 8.353 ( -6.024 0.660 13.560) 14.853 9.503 ( 9.492 0.662 -9.616) 13.528 9.503 ( 9.492 0.662 9.616) 13.528 10.438 ( 17.224 5.789 -2.416) 18.331 10.438 ( 17.224 5.789 2.416) 18.331 10.805 ( 7.906 2.043 -9.328) 12.397 10.805 ( 7.906 2.043 9.328) 12.397 11.802 ( 6.644 -1.045 -7.304) 9.929 11.802 ( 6.644 -1.045 7.304) 9.929 12.267 ( 11.776 2.238 -9.435) 15.254 12.267 ( 11.776 2.238 9.435) 15.254 12.888 ( 18.261 15.414 -8.222) 25.272 12.888 ( 18.261 15.414 8.222) 25.272 13.859 ( 16.722 -1.507 -13.591) 21.601 13.859 ( 16.722 -1.507 13.591) 21.601 14.657 ( 1.917 -20.362 -2.167) 20.567 14.657 ( 1.917 -20.362 2.167) 20.567 16.294 ( -15.242 -7.317 -8.769) 19.046 16.294 ( -15.242 -7.317 8.769) 19.046 17.270 ( -5.666 -0.871 -7.879) 9.744 17.270 ( -5.666 -0.871 7.879) 9.744 18.787 ( -9.808 6.221 -3.268) 12.066 18.787 ( -9.808 6.221 3.268) 12.066 ======================= Grid point 420 (125/147) ======================= q-point: (-0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -0.472 5.532 -4.209) 6.967 1.583 ( -0.472 5.532 4.209) 6.967 1.902 ( -9.497 6.830 -1.274) 11.767 1.902 ( -9.497 6.830 1.274) 11.767 2.087 ( -15.415 2.088 -8.333) 17.647 2.087 ( -15.415 2.088 8.333) 17.647 2.490 ( -6.676 15.909 -6.502) 18.438 2.490 ( -6.676 15.909 6.502) 18.438 3.315 ( -6.970 7.532 -10.827) 14.918 3.315 ( -6.970 7.532 10.827) 14.918 3.528 ( -5.231 -9.484 -3.179) 11.288 3.528 ( -5.231 -9.484 3.179) 11.288 4.264 ( -15.757 -1.458 -25.482) 29.996 4.264 ( -15.757 -1.458 25.482) 29.996 4.709 ( -17.598 1.892 -15.093) 23.261 4.709 ( -17.598 1.892 15.093) 23.261 5.108 ( -11.700 -3.759 -0.865) 12.319 5.108 ( -11.700 -3.759 0.865) 12.319 5.704 ( -3.166 0.952 -21.515) 21.767 5.704 ( -3.166 0.952 21.515) 21.767 6.465 ( -24.759 6.308 -3.868) 25.841 6.465 ( -24.759 6.308 3.868) 25.841 7.356 ( -3.112 -16.504 -6.769) 18.108 7.356 ( -3.112 -16.504 6.769) 18.108 8.255 ( -3.238 1.658 -16.841) 17.229 8.255 ( -3.238 1.658 16.841) 17.229 9.662 ( 7.059 -0.374 -6.565) 9.647 9.662 ( 7.059 -0.374 6.565) 9.647 10.705 ( 14.040 5.959 -3.459) 15.639 10.705 ( 14.040 5.959 3.459) 15.639 10.970 ( 12.087 3.231 -2.009) 12.672 10.970 ( 12.087 3.231 2.009) 12.672 11.896 ( 3.077 1.184 -6.853) 7.605 11.896 ( 3.077 1.184 6.853) 7.605 12.581 ( 20.053 -0.024 -11.166) 22.952 12.581 ( 20.053 -0.024 11.166) 22.952 13.007 ( 2.935 6.612 -5.906) 9.339 13.007 ( 2.935 6.612 5.906) 9.339 14.151 ( 12.352 0.182 -10.066) 15.935 14.151 ( 12.352 0.182 10.066) 15.935 14.938 ( 14.537 -15.382 -2.397) 21.300 14.938 ( 14.537 -15.382 2.397) 21.300 16.044 ( -15.480 -8.850 -15.251) 23.464 16.044 ( -15.480 -8.850 15.251) 23.464 17.117 ( -13.307 -6.218 -5.036) 15.527 17.117 ( -13.307 -6.218 5.036) 15.527 18.554 ( -8.267 10.235 -1.051) 13.199 18.554 ( -8.267 10.235 1.051) 13.199 ======================= Grid point 422 (126/147) ======================= q-point: (-0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 1.762 10.857 -4.040) 11.717 1.551 ( 1.762 10.857 4.040) 11.717 1.642 ( -8.593 10.375 -9.932) 16.737 1.642 ( -8.593 10.375 9.932) 16.737 1.934 ( -0.925 -0.062 -10.403) 10.444 1.934 ( -0.925 -0.062 10.403) 10.444 2.265 ( -8.097 9.177 -10.006) 15.809 2.265 ( -8.097 9.177 10.006) 15.809 3.093 ( -10.622 5.864 -27.220) 29.802 3.093 ( -10.622 5.864 27.220) 29.802 3.512 ( -1.475 -2.774 -7.123) 7.786 3.512 ( -1.475 -2.774 7.123) 7.786 4.089 ( -2.702 -1.132 -13.904) 14.210 4.089 ( -2.702 -1.132 13.904) 14.210 4.397 ( -14.219 -1.995 -16.897) 22.174 4.397 ( -14.219 -1.995 16.897) 22.174 4.915 ( -10.321 -6.302 -1.272) 12.160 4.915 ( -10.321 -6.302 1.272) 12.160 5.666 ( 0.252 4.272 -21.259) 21.686 5.666 ( 0.252 4.272 21.259) 21.686 6.023 ( -15.524 6.823 -2.985) 17.218 6.023 ( -15.524 6.823 2.985) 17.218 7.426 ( -0.933 -13.730 -6.565) 15.248 7.426 ( -0.933 -13.730 6.565) 15.248 8.212 ( -0.701 -0.024 -18.051) 18.065 8.212 ( -0.701 -0.024 18.051) 18.065 9.772 ( 3.780 -1.503 -4.688) 6.207 9.772 ( 3.780 -1.503 4.688) 6.207 10.878 ( 7.809 6.161 -2.842) 10.345 10.878 ( 7.809 6.161 2.842) 10.345 11.226 ( 16.177 3.867 -6.050) 17.699 11.226 ( 16.177 3.867 6.050) 17.699 11.905 ( -1.044 1.739 -4.079) 4.556 11.905 ( -1.044 1.739 4.079) 4.556 12.848 ( -1.034 -7.779 -4.100) 8.855 12.848 ( -1.034 -7.779 4.100) 8.855 13.082 ( 13.141 -0.376 -6.322) 14.588 13.082 ( 13.141 -0.376 6.322) 14.588 14.303 ( 3.716 -0.011 -7.642) 8.497 14.303 ( 3.716 -0.011 7.642) 8.497 15.311 ( 12.353 -3.738 -2.247) 13.101 15.311 ( 12.353 -3.738 2.247) 13.101 15.919 ( 0.829 -9.454 -14.838) 17.613 15.919 ( 0.829 -9.454 14.838) 17.613 16.837 ( -22.228 -13.658 -0.837) 26.102 16.837 ( -22.228 -13.658 0.837) 26.102 18.356 ( -3.726 14.486 -5.864) 16.066 18.356 ( -3.726 14.486 5.864) 16.066 ======================= Grid point 424 (127/147) ======================= q-point: (-0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -0.000 23.513 -8.312) 24.939 1.472 ( -0.000 23.513 8.312) 24.939 1.493 ( -0.000 4.256 -21.821) 22.232 1.493 ( -0.000 4.256 21.821) 22.232 1.968 ( -0.000 2.641 -6.608) 7.116 1.968 ( -0.000 2.641 6.608) 7.116 2.124 ( 0.000 -1.660 -15.337) 15.427 2.124 ( 0.000 -1.660 15.337) 15.427 2.921 ( -0.000 6.761 -38.542) 39.131 2.921 ( -0.000 6.761 38.542) 39.131 3.502 ( -0.000 1.062 -9.290) 9.350 3.502 ( -0.000 1.062 9.290) 9.350 4.113 ( 0.000 -1.475 -17.360) 17.422 4.113 ( 0.000 -1.475 17.360) 17.422 4.255 ( 0.000 -5.987 -31.531) 32.095 4.255 ( 0.000 -5.987 31.531) 32.095 4.851 ( 0.000 -6.453 -1.678) 6.667 4.851 ( 0.000 -6.453 1.678) 6.667 5.640 ( -0.000 5.385 -20.415) 21.113 5.640 ( -0.000 5.385 20.415) 21.113 5.823 ( -0.000 6.477 -3.768) 7.494 5.823 ( -0.000 6.477 3.768) 7.494 7.490 ( 0.000 -8.893 -6.977) 11.303 7.490 ( 0.000 -8.893 6.977) 11.303 8.218 ( 0.000 -2.455 -18.043) 18.209 8.218 ( 0.000 -2.455 18.043) 18.209 9.822 ( 0.000 -2.270 -3.967) 4.570 9.822 ( 0.000 -2.270 3.967) 4.570 10.910 ( -0.000 6.540 -2.121) 6.875 10.910 ( -0.000 6.540 2.121) 6.875 11.403 ( -0.000 4.328 -11.113) 11.926 11.403 ( -0.000 4.328 11.113) 11.926 11.868 ( -0.000 0.352 -10.067) 10.073 11.868 ( -0.000 0.352 10.067) 10.073 12.877 ( 0.000 -15.097 -9.462) 17.817 12.877 ( 0.000 -15.097 9.462) 17.817 13.261 ( 0.000 -0.410 -13.100) 13.106 13.261 ( 0.000 -0.410 13.100) 13.106 14.329 ( 0.000 -0.911 -6.236) 6.302 14.329 ( 0.000 -0.911 6.236) 6.302 15.395 ( -0.000 0.457 -16.143) 16.149 15.395 ( -0.000 0.457 16.143) 16.149 16.106 ( -0.000 0.030 -2.910) 2.910 16.106 ( -0.000 0.030 2.910) 2.910 16.638 ( 0.000 -26.155 -8.721) 27.571 16.638 ( 0.000 -26.155 8.721) 27.571 18.214 ( -0.000 18.183 -9.501) 20.516 18.214 ( -0.000 18.183 9.501) 20.516 ======================= Grid point 434 (128/147) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 0.585 0.000 -5.431) 5.463 1.785 ( 0.585 0.000 5.431) 5.463 2.476 ( 1.668 0.000 -5.462) 5.711 2.476 ( 1.668 0.000 5.462) 5.711 2.900 ( 14.772 0.000 -6.076) 15.972 2.900 ( 14.772 0.000 6.076) 15.972 3.319 ( 7.194 0.000 -3.153) 7.855 3.319 ( 7.194 0.000 3.153) 7.855 3.496 ( 4.453 0.000 -3.514) 5.672 3.496 ( 4.453 0.000 3.514) 5.672 4.271 ( -1.139 -0.000 -2.134) 2.419 4.271 ( -1.139 -0.000 2.134) 2.419 4.766 ( 1.336 0.000 -1.557) 2.052 4.766 ( 1.336 0.000 1.557) 2.052 5.284 ( -3.895 -0.000 -16.526) 16.979 5.284 ( -3.895 -0.000 16.526) 16.979 5.918 ( 11.085 0.000 -30.412) 32.369 5.918 ( 11.085 0.000 30.412) 32.369 6.828 ( -7.826 -0.000 -4.199) 8.881 6.828 ( -7.826 -0.000 4.199) 8.881 7.354 ( 2.349 0.000 -0.850) 2.498 7.354 ( 2.349 0.000 0.850) 2.498 8.427 ( 3.119 0.000 -10.446) 10.902 8.427 ( 3.119 0.000 10.446) 10.902 8.695 ( 5.201 0.000 -1.563) 5.431 8.695 ( 5.201 0.000 1.563) 5.431 9.045 ( -2.672 -0.000 -4.341) 5.098 9.045 ( -2.672 -0.000 4.341) 5.098 9.879 ( 4.250 0.000 -3.300) 5.380 9.879 ( 4.250 0.000 3.300) 5.380 10.230 ( -4.902 -0.000 -3.335) 5.929 10.230 ( -4.902 -0.000 3.335) 5.929 11.599 ( -4.057 -0.000 -1.622) 4.370 11.599 ( -4.057 -0.000 1.622) 4.370 11.769 ( 1.039 0.000 -5.312) 5.413 11.769 ( 1.039 0.000 5.312) 5.413 12.308 ( 16.246 0.000 -19.420) 25.319 12.308 ( 16.246 0.000 19.420) 25.319 12.828 ( -17.946 -0.000 -20.543) 27.277 12.828 ( -17.946 -0.000 20.543) 27.277 14.878 ( -7.980 -0.000 -3.407) 8.677 14.878 ( -7.980 -0.000 3.407) 8.677 16.877 ( -2.311 -0.000 -4.639) 5.183 16.877 ( -2.311 -0.000 4.639) 5.183 17.316 ( 1.734 0.000 -7.079) 7.288 17.316 ( 1.734 0.000 7.079) 7.288 19.092 ( 4.477 0.000 -1.360) 4.679 19.092 ( 4.477 0.000 1.360) 4.679 ======================= Grid point 436 (129/147) ======================= q-point: ( 0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -0.954 -0.043 -4.732) 4.828 1.780 ( -0.954 -0.043 4.732) 4.828 2.468 ( -2.262 0.445 -4.582) 5.129 2.468 ( -2.262 0.445 4.582) 5.129 3.102 ( 6.045 -1.374 -1.143) 6.303 3.102 ( 6.045 -1.374 1.143) 6.303 3.402 ( 2.752 7.374 -7.004) 10.536 3.402 ( 2.752 7.374 7.004) 10.536 3.559 ( 1.059 -1.668 -2.782) 3.412 3.559 ( 1.059 -1.668 2.782) 3.412 4.183 ( -8.532 -5.354 -3.643) 10.711 4.183 ( -8.532 -5.354 3.643) 10.711 4.834 ( 3.873 -1.038 -1.947) 4.457 4.834 ( 3.873 -1.038 1.947) 4.457 5.178 ( -6.170 -0.554 -14.909) 16.145 5.178 ( -6.170 -0.554 14.909) 16.145 6.051 ( 3.110 2.022 -31.504) 31.722 6.051 ( 3.110 2.022 31.504) 31.722 6.581 ( -13.828 8.235 -1.374) 16.153 6.581 ( -13.828 8.235 1.374) 16.153 7.345 ( -7.248 -10.122 -0.473) 12.459 7.345 ( -7.248 -10.122 0.473) 12.459 8.393 ( -5.236 2.559 -11.761) 13.126 8.393 ( -5.236 2.559 11.761) 13.126 8.727 ( -2.709 -0.492 -1.000) 2.929 8.727 ( -2.709 -0.492 1.000) 2.929 9.047 ( 3.223 0.241 -3.380) 4.677 9.047 ( 3.223 0.241 3.380) 4.677 9.964 ( 4.505 0.569 -4.123) 6.133 9.964 ( 4.505 0.569 4.123) 6.133 10.235 ( 5.557 -0.010 -3.515) 6.575 10.235 ( 5.557 -0.010 3.515) 6.575 11.574 ( -0.378 -0.782 -1.168) 1.455 11.574 ( -0.378 -0.782 1.168) 1.455 11.877 ( 12.117 1.106 -7.087) 14.081 11.877 ( 12.117 1.106 7.087) 14.081 12.502 ( -11.855 0.957 -16.481) 20.324 12.502 ( -11.855 0.957 16.481) 20.324 12.684 ( 18.621 -0.953 -19.277) 26.820 12.684 ( 18.621 -0.953 19.277) 26.820 14.715 ( -9.434 -1.162 -4.664) 10.588 14.715 ( -9.434 -1.162 4.664) 10.588 16.790 ( -6.255 0.116 -2.414) 6.705 16.790 ( -6.255 0.116 2.414) 6.705 17.361 ( 2.675 0.937 -9.071) 9.504 17.361 ( 2.675 0.937 9.071) 9.504 19.143 ( 0.698 -0.420 -2.233) 2.377 19.143 ( 0.698 -0.420 2.233) 2.377 ======================= Grid point 438 (130/147) ======================= q-point: (-0.62 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -1.890 -0.115 -3.341) 3.841 1.753 ( -1.890 -0.115 3.341) 3.841 2.389 ( -5.460 0.671 -4.286) 6.974 2.389 ( -5.460 0.671 4.286) 6.974 3.163 ( -0.614 -0.650 -1.515) 1.759 3.163 ( -0.614 -0.650 1.515) 1.759 3.320 ( -5.814 8.195 -6.640) 12.044 3.320 ( -5.814 8.195 6.640) 12.044 3.502 ( -5.005 5.916 -6.147) 9.891 3.502 ( -5.005 5.916 6.147) 9.891 4.070 ( -8.619 -9.369 -4.919) 13.648 4.070 ( -8.619 -9.369 4.919) 13.648 4.816 ( -9.182 -5.814 -11.844) 16.074 4.816 ( -9.182 -5.814 11.844) 16.074 5.154 ( 4.727 0.717 -6.165) 7.802 5.154 ( 4.727 0.717 6.165) 7.802 5.987 ( -7.211 8.293 -26.731) 28.902 5.987 ( -7.211 8.293 26.731) 28.902 6.244 ( -15.249 4.601 -2.175) 16.076 6.244 ( -15.249 4.601 2.175) 16.076 7.214 ( -14.482 -14.304 -0.652) 20.365 7.214 ( -14.482 -14.304 0.652) 20.365 8.197 ( -13.138 4.294 -10.961) 17.641 8.197 ( -13.138 4.294 10.961) 17.641 8.618 ( -8.167 -1.114 -3.100) 8.807 8.618 ( -8.167 -1.114 3.100) 8.807 9.157 ( 8.195 0.572 -10.191) 13.090 9.157 ( 8.195 0.572 10.191) 13.090 10.054 ( 6.775 2.116 -3.105) 7.748 10.054 ( 6.775 2.116 3.105) 7.748 10.423 ( 12.806 0.103 -9.348) 15.856 10.423 ( 12.806 0.103 9.348) 15.856 11.577 ( 0.512 -1.366 -3.397) 3.697 11.577 ( 0.512 -1.366 3.397) 3.697 12.217 ( 24.030 4.359 -10.878) 26.735 12.217 ( 24.030 4.359 10.878) 26.735 12.296 ( -6.984 1.596 -13.763) 15.516 12.296 ( -6.984 1.596 13.763) 15.516 13.090 ( 21.401 -1.110 -19.771) 29.156 13.090 ( 21.401 -1.110 19.771) 29.156 14.539 ( -11.003 -5.299 -6.184) 13.689 14.539 ( -11.003 -5.299 6.184) 13.689 16.646 ( -9.221 -1.245 -0.558) 9.322 16.646 ( -9.221 -1.245 0.558) 9.322 17.390 ( 1.144 2.063 -10.220) 10.489 17.390 ( 1.144 2.063 10.220) 10.489 19.121 ( -3.204 0.119 -3.268) 4.578 19.121 ( -3.204 0.119 3.268) 4.578 ======================= Grid point 440 (131/147) ======================= q-point: (-0.54 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -2.446 0.048 -1.485) 2.862 1.711 ( -2.446 0.048 1.485) 2.862 2.259 ( -7.253 0.962 -4.182) 8.427 2.259 ( -7.253 0.962 4.182) 8.427 2.984 ( -18.538 2.817 -3.183) 19.019 2.984 ( -18.538 2.817 3.183) 19.019 3.135 ( -4.902 11.271 -7.461) 14.378 3.135 ( -4.902 11.271 7.461) 14.378 3.409 ( -0.462 2.703 -4.632) 5.383 3.409 ( -0.462 2.703 4.632) 5.383 3.919 ( -12.653 -3.650 -0.839) 13.196 3.919 ( -12.653 -3.650 0.839) 13.196 4.647 ( -13.132 -11.110 -16.346) 23.729 4.647 ( -13.132 -11.110 16.346) 23.729 5.250 ( 3.719 2.552 -13.726) 14.448 5.250 ( 3.719 2.552 13.726) 14.448 5.671 ( -15.661 13.759 -15.582) 26.027 5.671 ( -15.661 13.759 15.582) 26.027 5.977 ( -13.102 -2.900 -14.531) 19.779 5.977 ( -13.102 -2.900 14.531) 19.779 7.012 ( -16.186 -16.256 -0.707) 22.951 7.012 ( -16.186 -16.256 0.707) 22.951 7.833 ( -21.211 5.431 -8.608) 23.527 7.833 ( -21.211 5.431 8.608) 23.527 8.469 ( -7.655 -1.492 -6.252) 9.996 8.469 ( -7.655 -1.492 6.252) 9.996 9.333 ( 10.211 1.005 -12.571) 16.227 9.333 ( 10.211 1.005 12.571) 16.227 10.227 ( 13.585 3.461 -0.300) 14.022 10.227 ( 13.585 3.461 0.300) 14.022 10.660 ( 11.039 0.698 -12.000) 16.320 10.660 ( 11.039 0.698 12.000) 16.320 11.638 ( 5.338 -1.726 -5.698) 7.996 11.638 ( 5.338 -1.726 5.698) 7.996 12.211 ( 0.307 2.256 -9.895) 10.154 12.211 ( 0.307 2.256 9.895) 10.154 12.706 ( 30.123 10.934 -13.042) 34.598 12.706 ( 30.123 10.934 13.042) 34.598 13.486 ( 18.686 -1.583 -17.114) 25.388 13.486 ( 18.686 -1.583 17.114) 25.388 14.387 ( -10.113 -12.737 -7.145) 17.764 14.387 ( -10.113 -12.737 7.145) 17.764 16.451 ( -12.949 -3.589 -1.631) 13.536 16.451 ( -12.949 -3.589 1.631) 13.536 17.369 ( -2.007 2.346 -10.213) 10.670 17.369 ( -2.007 2.346 10.213) 10.670 19.019 ( -6.772 1.520 -3.983) 8.002 19.019 ( -6.772 1.520 3.983) 8.002 ======================= Grid point 442 (132/147) ======================= q-point: (-0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -2.416 0.640 -1.172) 2.761 1.661 ( -2.416 0.640 1.172) 2.761 2.111 ( -7.181 1.500 -3.372) 8.073 2.111 ( -7.181 1.500 3.372) 8.073 2.553 ( -22.530 3.773 -6.753) 23.821 2.553 ( -22.530 3.773 6.753) 23.821 2.940 ( -6.474 14.674 -7.010) 17.503 2.940 ( -6.474 14.674 7.010) 17.503 3.417 ( 0.692 -1.843 -4.045) 4.499 3.417 ( 0.692 -1.843 4.045) 4.499 3.658 ( -13.667 2.659 -1.702) 14.027 3.658 ( -13.667 2.659 1.702) 14.027 4.455 ( -15.142 -10.848 -19.433) 26.919 4.455 ( -15.142 -10.848 19.433) 26.919 5.135 ( -15.577 4.942 -14.986) 22.173 5.135 ( -15.577 4.942 14.986) 22.173 5.336 ( -9.750 8.180 -7.262) 14.653 5.336 ( -9.750 8.180 7.262) 14.653 5.786 ( -7.543 -2.228 -20.179) 21.657 5.786 ( -7.543 -2.228 20.179) 21.657 6.830 ( -14.725 -14.295 -0.526) 20.530 6.830 ( -14.725 -14.295 0.526) 20.530 7.368 ( -22.119 1.408 -4.733) 22.664 7.368 ( -22.119 1.408 4.733) 22.664 8.354 ( -5.073 -0.337 -9.992) 11.211 8.354 ( -5.073 -0.337 9.992) 11.211 9.515 ( 9.252 1.081 -10.351) 13.925 9.515 ( 9.252 1.081 10.351) 13.925 10.507 ( 17.339 4.527 -2.998) 18.169 10.507 ( 17.339 4.527 2.998) 18.169 10.828 ( 8.317 1.419 -8.269) 11.814 10.828 ( 8.317 1.419 8.269) 11.814 11.789 ( 8.050 -0.997 -8.177) 11.518 11.789 ( 8.050 -0.997 8.177) 11.518 12.295 ( 10.564 1.906 -10.050) 14.705 12.295 ( 10.564 1.906 10.050) 14.705 13.103 ( 16.881 16.903 -9.120) 25.571 13.103 ( 16.881 16.903 9.120) 25.571 13.832 ( 17.221 -2.889 -12.238) 21.323 13.832 ( 17.221 -2.889 12.238) 21.323 14.394 ( 2.125 -18.794 -3.691) 19.271 14.394 ( 2.125 -18.794 3.691) 19.271 16.200 ( -16.709 -6.474 -4.760) 18.541 16.200 ( -16.709 -6.474 4.760) 18.541 17.273 ( -7.249 0.999 -8.522) 11.233 17.273 ( -7.249 0.999 8.522) 11.233 18.852 ( -8.538 3.737 -3.576) 9.982 18.852 ( -8.538 3.737 3.576) 9.982 ======================= Grid point 444 (133/147) ======================= q-point: (-0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -0.585 1.228 -3.136) 3.418 1.622 ( -0.585 1.228 3.136) 3.418 1.967 ( -6.893 3.220 -0.838) 7.654 1.967 ( -6.893 3.220 0.838) 7.654 2.128 ( -17.346 3.695 -11.615) 21.200 2.128 ( -17.346 3.695 11.615) 21.200 2.697 ( -9.196 13.950 -7.988) 18.520 2.697 ( -9.196 13.950 7.988) 18.520 3.381 ( -11.057 -2.174 -6.443) 12.980 3.381 ( -11.057 -2.174 6.443) 12.980 3.464 ( 1.425 4.662 -1.763) 5.184 3.464 ( 1.425 4.662 1.763) 5.184 4.226 ( -12.781 -4.402 -20.817) 24.821 4.226 ( -12.781 -4.402 20.817) 24.821 4.744 ( -19.546 3.545 -15.128) 24.970 4.744 ( -19.546 3.545 15.128) 24.970 5.084 ( -14.122 0.190 -2.588) 14.358 5.084 ( -14.122 0.190 2.588) 14.358 5.721 ( -0.363 1.839 -23.193) 23.269 5.721 ( -0.363 1.839 23.193) 23.269 6.521 ( -22.066 1.472 -3.084) 22.330 6.521 ( -22.066 1.472 3.084) 22.330 7.134 ( -6.797 -15.977 -5.090) 18.093 7.134 ( -6.797 -15.977 5.090) 18.093 8.276 ( -2.844 1.381 -13.712) 14.072 8.276 ( -2.844 1.381 13.712) 14.072 9.663 ( 6.689 0.540 -7.260) 9.886 9.663 ( 6.689 0.540 7.260) 9.886 10.779 ( 13.762 5.193 -4.359) 15.342 10.779 ( 13.762 5.193 4.359) 15.342 11.008 ( 12.630 2.318 -0.625) 12.856 11.008 ( 12.630 2.318 0.625) 12.856 11.911 ( 4.403 1.119 -9.167) 10.231 11.911 ( 4.403 1.119 9.167) 10.231 12.583 ( 18.569 0.278 -11.652) 21.924 12.583 ( 18.569 0.278 11.652) 21.924 13.090 ( -6.709 5.746 -10.342) 13.601 13.090 ( -6.709 5.746 10.342) 13.601 14.156 ( 13.308 0.539 -10.468) 16.940 14.156 ( 13.308 0.539 10.468) 16.940 14.750 ( 22.931 -12.738 -5.016) 26.707 14.750 ( 22.931 -12.738 5.016) 26.707 15.918 ( -17.433 -9.597 -10.044) 22.291 15.918 ( -17.433 -9.597 10.044) 22.291 17.065 ( -15.236 -2.023 -5.222) 16.232 17.065 ( -15.236 -2.023 5.222) 16.232 18.664 ( -7.053 6.567 -1.158) 9.706 18.664 ( -7.053 6.567 1.158) 9.706 ======================= Grid point 446 (134/147) ======================= q-point: (-0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 0.184 2.657 -7.841) 8.281 1.621 ( 0.184 2.657 7.841) 8.281 1.759 ( -7.957 5.133 -11.466) 14.871 1.759 ( -7.957 5.133 11.466) 14.871 1.959 ( 0.990 3.183 -14.380) 14.761 1.959 ( 0.990 3.183 14.380) 14.761 2.400 ( -13.508 9.953 -12.432) 20.883 2.400 ( -13.508 9.953 12.432) 20.883 3.184 ( -6.893 7.455 -15.622) 18.632 3.184 ( -6.893 7.455 15.622) 18.632 3.487 ( 1.583 -0.167 -3.271) 3.638 3.487 ( 1.583 -0.167 3.271) 3.638 4.081 ( -3.150 -0.246 -15.225) 15.549 4.081 ( -3.150 -0.246 15.225) 15.549 4.391 ( -14.895 1.416 -17.316) 22.885 4.391 ( -14.895 1.416 17.316) 22.885 4.842 ( -11.251 -4.513 -0.182) 12.124 4.842 ( -11.251 -4.513 0.182) 12.124 5.715 ( 1.025 3.416 -22.825) 23.102 5.715 ( 1.025 3.416 22.825) 23.102 6.109 ( -15.564 5.992 -2.722) 16.899 6.109 ( -15.564 5.992 2.722) 16.899 7.202 ( -0.841 -19.666 -7.085) 20.920 7.202 ( -0.841 -19.666 7.085) 20.920 8.227 ( -1.133 1.924 -16.464) 16.615 8.227 ( -1.133 1.924 16.464) 16.615 9.760 ( 3.480 -0.336 -5.332) 6.376 9.760 ( 3.480 -0.336 5.332) 6.376 10.954 ( 7.822 5.318 -3.671) 10.146 10.954 ( 7.822 5.318 3.671) 10.146 11.278 ( 17.043 3.749 -7.138) 18.854 11.278 ( 17.043 3.749 7.138) 18.854 11.933 ( -1.239 2.410 -6.033) 6.614 11.933 ( -1.239 2.410 6.033) 6.614 12.748 ( -9.523 -7.149 -9.356) 15.144 12.748 ( -9.523 -7.149 9.356) 15.144 13.075 ( 13.406 -0.602 -7.041) 15.155 13.075 ( 13.406 -0.602 7.041) 15.155 14.307 ( 3.552 0.675 -9.192) 9.878 14.307 ( 3.552 0.675 9.192) 9.878 15.274 ( 18.811 -1.795 -3.870) 19.288 15.274 ( 18.811 -1.795 3.870) 19.288 15.767 ( 0.834 -12.898 -11.943) 17.598 15.767 ( 0.834 -12.898 11.943) 17.598 16.710 ( -24.626 -6.101 -3.566) 25.620 16.710 ( -24.626 -6.101 3.566) 25.620 18.512 ( -3.270 9.344 -3.829) 10.615 18.512 ( -3.270 9.344 3.829) 10.615 ======================= Grid point 448 (135/147) ======================= q-point: (-0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -0.000 5.564 -19.914) 20.677 1.559 ( -0.000 5.564 19.914) 20.677 1.680 ( -0.000 6.923 -10.238) 12.359 1.680 ( -0.000 6.923 10.238) 12.359 2.068 ( -0.000 12.180 -18.630) 22.258 2.068 ( -0.000 12.180 18.630) 22.258 2.097 ( 0.000 -2.473 -16.079) 16.268 2.097 ( 0.000 -2.473 16.079) 16.268 3.043 ( -0.000 11.376 -26.106) 28.477 3.043 ( -0.000 11.376 26.106) 28.477 3.508 ( -0.000 0.043 -6.978) 6.979 3.508 ( -0.000 0.043 6.978) 6.979 4.090 ( 0.000 -1.920 -16.392) 16.504 4.090 ( 0.000 -1.920 16.392) 16.504 4.210 ( 0.000 -0.080 -29.526) 29.526 4.210 ( 0.000 -0.080 29.526) 29.526 4.764 ( 0.000 -6.451 -1.211) 6.563 4.764 ( 0.000 -6.451 1.211) 6.563 5.703 ( -0.000 4.068 -22.119) 22.490 5.703 ( -0.000 4.068 22.119) 22.490 5.911 ( -0.000 6.588 -3.014) 7.245 5.911 ( -0.000 6.588 3.014) 7.245 7.319 ( 0.000 -16.925 -7.014) 18.321 7.319 ( 0.000 -16.925 7.014) 18.321 8.207 ( -0.000 0.799 -17.654) 17.672 8.207 ( -0.000 0.799 17.654) 17.672 9.799 ( 0.000 -1.147 -4.580) 4.721 9.799 ( 0.000 -1.147 4.580) 4.721 10.993 ( -0.000 5.787 -2.627) 6.355 10.993 ( -0.000 5.787 2.627) 6.355 11.474 ( -0.000 6.168 -12.068) 13.553 11.474 ( -0.000 6.168 12.068) 13.553 11.873 ( -0.000 0.425 -10.055) 10.064 11.873 ( -0.000 0.425 10.055) 10.064 12.682 ( 0.000 -13.866 -14.603) 20.137 12.682 ( 0.000 -13.866 14.603) 20.137 13.255 ( 0.000 -0.497 -13.075) 13.085 13.255 ( 0.000 -0.497 13.075) 13.085 14.325 ( -0.000 0.227 -7.902) 7.906 14.325 ( -0.000 0.227 7.902) 7.906 15.387 ( 0.000 -1.877 -16.442) 16.549 15.387 ( 0.000 -1.877 16.442) 16.549 16.107 ( -0.000 0.036 -2.873) 2.873 16.107 ( -0.000 0.036 2.873) 2.873 16.338 ( 0.000 -19.012 -4.352) 19.504 16.338 ( 0.000 -19.012 4.352) 19.504 18.412 ( -0.000 11.946 -7.483) 14.096 18.412 ( -0.000 11.946 7.483) 14.096 ======================= Grid point 462 (136/147) ======================= q-point: (-0.69 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -1.875 -0.000 -3.228) 3.733 1.752 ( -1.875 -0.000 3.228) 3.733 2.393 ( -5.471 -0.000 -3.943) 6.744 2.393 ( -5.471 -0.000 3.943) 6.744 3.156 ( 0.010 0.000 -0.641) 0.641 3.156 ( 0.010 0.000 0.641) 0.641 3.373 ( -7.833 -0.000 -5.079) 9.335 3.373 ( -7.833 -0.000 5.079) 9.335 3.564 ( -2.131 -0.000 -11.196) 11.397 3.564 ( -2.131 -0.000 11.196) 11.397 3.989 ( -8.110 -0.000 -6.893) 10.644 3.989 ( -8.110 -0.000 6.893) 10.644 4.775 ( -10.310 -0.000 -13.659) 17.114 4.775 ( -10.310 -0.000 13.659) 17.114 5.161 ( 5.203 0.000 -6.179) 8.077 5.161 ( 5.203 0.000 6.179) 8.077 6.038 ( -5.229 -0.000 -29.135) 29.601 6.038 ( -5.229 -0.000 29.135) 29.601 6.291 ( -18.645 -0.000 -3.267) 18.929 6.291 ( -18.645 -0.000 3.267) 18.929 7.107 ( -13.649 -0.000 -1.541) 13.736 7.107 ( -13.649 -0.000 1.541) 13.736 8.225 ( -13.263 -0.000 -11.307) 17.429 8.225 ( -13.263 -0.000 11.307) 17.429 8.610 ( -8.338 -0.000 -1.774) 8.524 8.610 ( -8.338 -0.000 1.774) 8.524 9.161 ( 8.255 0.000 -10.153) 13.085 9.161 ( 8.255 0.000 10.153) 13.085 10.069 ( 6.987 0.000 -3.243) 7.703 10.069 ( 6.987 0.000 3.243) 7.703 10.423 ( 12.913 0.000 -9.311) 15.920 10.423 ( 12.913 0.000 9.311) 15.920 11.568 ( 0.533 0.000 -3.365) 3.407 11.568 ( 0.533 0.000 3.365) 3.407 12.247 ( 25.389 0.000 -11.534) 27.886 12.247 ( 25.389 0.000 11.534) 27.886 12.307 ( -7.328 -0.000 -13.899) 15.712 12.307 ( -7.328 -0.000 13.899) 15.712 13.082 ( 21.530 0.000 -19.736) 29.206 13.082 ( 21.530 0.000 19.736) 29.206 14.503 ( -12.253 -0.000 -6.770) 13.998 14.503 ( -12.253 -0.000 6.770) 13.998 16.638 ( -9.687 -0.000 -0.961) 9.735 16.638 ( -9.687 -0.000 0.961) 9.735 17.404 ( 1.166 0.000 -10.400) 10.465 17.404 ( 1.166 0.000 10.400) 10.465 19.121 ( -2.922 -0.000 -3.271) 4.386 19.121 ( -2.922 -0.000 3.271) 4.386 ======================= Grid point 466 (137/147) ======================= q-point: (-0.62 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -2.307 0.005 -1.232) 2.615 1.712 ( -2.307 0.005 1.232) 2.615 2.269 ( -7.179 0.389 -3.957) 8.207 2.269 ( -7.179 0.389 3.957) 8.207 3.004 ( -17.672 0.569 -2.196) 17.817 3.004 ( -17.672 0.569 2.196) 17.817 3.232 ( -3.500 3.249 -4.708) 6.706 3.232 ( -3.500 3.249 4.708) 6.706 3.465 ( -4.673 4.206 -12.756) 14.222 3.465 ( -4.673 4.206 12.756) 14.222 3.866 ( -7.726 -3.227 -6.400) 10.539 3.866 ( -7.726 -3.227 6.400) 10.539 4.538 ( -14.346 -4.575 -17.349) 22.972 4.538 ( -14.346 -4.575 17.349) 22.972 5.276 ( 4.468 1.091 -14.984) 15.674 5.276 ( 4.468 1.091 14.984) 15.674 5.831 ( -14.916 9.264 -14.799) 22.964 5.831 ( -14.916 9.264 14.799) 22.964 5.937 ( -15.822 -3.464 -13.229) 20.913 5.937 ( -15.822 -3.464 13.229) 20.913 6.846 ( -15.511 -7.371 -2.821) 17.403 6.846 ( -15.511 -7.371 2.821) 17.403 7.881 ( -21.932 1.872 -9.058) 23.803 7.881 ( -21.932 1.872 9.058) 23.803 8.454 ( -7.391 -0.664 -3.356) 8.145 8.454 ( -7.391 -0.664 3.356) 8.145 9.343 ( 10.293 0.387 -12.848) 16.467 9.343 ( 10.293 0.387 12.848) 16.467 10.259 ( 13.650 1.240 -0.258) 13.708 10.259 ( 13.650 1.240 0.258) 13.708 10.666 ( 11.282 0.239 -11.701) 16.256 10.666 ( 11.282 0.239 11.701) 16.256 11.623 ( 5.557 -0.620 -5.801) 8.057 11.623 ( 5.557 -0.620 5.801) 8.057 12.232 ( 0.106 0.793 -10.302) 10.333 12.232 ( 0.106 0.793 10.302) 10.333 12.813 ( 34.107 4.578 -14.779) 37.452 12.813 ( 34.107 4.578 14.779) 37.452 13.470 ( 17.796 -0.756 -17.230) 24.782 13.470 ( 17.796 -0.756 17.230) 24.782 14.265 ( -13.308 -5.040 -9.051) 16.865 14.265 ( -13.308 -5.040 9.051) 16.865 16.419 ( -13.775 -1.276 -0.262) 13.837 16.419 ( -13.775 -1.276 0.262) 13.837 17.393 ( -2.388 0.989 -10.576) 10.887 17.393 ( -2.388 0.989 10.576) 10.887 19.032 ( -6.233 0.415 -4.036) 7.437 19.032 ( -6.233 0.415 4.036) 7.437 ======================= Grid point 468 (138/147) ======================= q-point: (-0.54 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -2.351 0.148 -0.941) 2.536 1.666 ( -2.351 0.148 0.941) 2.536 2.127 ( -6.969 0.852 -3.701) 7.937 2.127 ( -6.969 0.852 3.701) 7.937 2.590 ( -22.675 1.845 -6.254) 23.594 2.590 ( -22.675 1.845 6.254) 23.594 3.096 ( -7.824 8.431 -8.708) 14.427 3.096 ( -7.824 8.431 8.708) 14.427 3.385 ( -3.091 -2.162 -9.623) 10.336 3.385 ( -3.091 -2.162 9.623) 10.336 3.710 ( -7.557 4.199 -7.719) 11.589 3.710 ( -7.557 4.199 7.719) 11.589 4.318 ( -13.236 -8.795 -16.190) 22.687 4.318 ( -13.236 -8.795 16.190) 22.687 5.186 ( -14.864 2.690 -15.884) 21.920 5.186 ( -14.864 2.690 15.884) 21.920 5.456 ( -15.261 8.763 -2.070) 17.720 5.456 ( -15.261 8.763 2.070) 17.720 5.764 ( -3.761 -1.187 -23.993) 24.315 5.764 ( -3.761 -1.187 23.993) 24.315 6.642 ( -12.306 -12.178 -1.969) 17.425 6.642 ( -12.306 -12.178 1.969) 17.425 7.395 ( -26.259 1.848 -6.034) 27.007 7.395 ( -26.259 1.848 6.034) 27.007 8.348 ( -4.195 -0.460 -6.374) 7.645 8.348 ( -4.195 -0.460 6.374) 7.645 9.528 ( 9.160 0.772 -10.860) 14.228 9.528 ( 9.160 0.772 10.860) 14.228 10.554 ( 17.470 2.504 -3.482) 17.989 10.554 ( 17.470 2.504 3.482) 17.989 10.842 ( 8.396 0.665 -7.519) 11.290 10.842 ( 8.396 0.665 7.519) 11.290 11.778 ( 8.972 -0.619 -8.851) 12.618 11.778 ( 8.972 -0.619 8.851) 12.618 12.315 ( 9.853 1.104 -10.489) 14.434 12.315 ( 9.853 1.104 10.489) 14.434 13.325 ( 15.563 15.968 -11.430) 25.056 13.325 ( 15.563 15.968 11.430) 25.056 13.772 ( 17.162 -6.521 -10.818) 21.309 13.772 ( 17.162 -6.521 10.818) 21.309 14.183 ( 3.293 -11.941 -6.849) 14.154 14.183 ( 3.293 -11.941 6.849) 14.154 16.131 ( -17.858 -3.693 -1.576) 18.304 16.131 ( -17.858 -3.693 1.576) 18.304 17.288 ( -8.252 1.004 -8.673) 12.013 17.288 ( -8.252 1.004 8.673) 12.013 18.887 ( -7.780 1.680 -3.823) 8.830 18.887 ( -7.780 1.680 3.823) 8.830 ======================= Grid point 470 (139/147) ======================= q-point: (-0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -1.139 -0.041 -1.855) 2.177 1.628 ( -1.139 -0.041 1.855) 2.177 1.997 ( -6.184 1.539 -0.392) 6.385 1.997 ( -6.184 1.539 0.392) 6.385 2.173 ( -17.593 2.835 -13.193) 22.173 2.173 ( -17.593 2.835 13.193) 22.173 2.833 ( -14.076 6.433 -11.732) 19.421 2.833 ( -14.076 6.433 11.732) 19.421 3.339 ( -3.736 -1.820 -6.206) 7.469 3.339 ( -3.736 -1.820 6.206) 7.469 3.568 ( -2.148 8.279 -10.128) 13.257 3.568 ( -2.148 8.279 10.128) 13.257 4.154 ( -8.720 -6.051 -14.196) 17.725 4.154 ( -8.720 -6.051 14.196) 17.725 4.793 ( -20.509 3.353 -13.620) 24.847 4.793 ( -20.509 3.353 13.620) 24.847 5.112 ( -16.651 3.725 -3.194) 17.359 5.112 ( -16.651 3.725 3.194) 17.359 5.757 ( 1.981 3.616 -25.220) 25.554 5.757 ( 1.981 3.616 25.220) 25.554 6.486 ( -14.337 -6.802 -1.883) 15.980 6.486 ( -14.337 -6.802 1.883) 15.980 6.966 ( -16.297 -8.568 -3.012) 18.656 6.966 ( -16.297 -8.568 3.012) 18.656 8.290 ( -1.960 0.817 -9.992) 10.215 8.290 ( -1.960 0.817 9.992) 10.215 9.673 ( 6.443 0.802 -7.764) 10.122 9.673 ( 6.443 0.802 7.764) 10.122 10.840 ( 13.734 3.893 -5.078) 15.151 10.840 ( 13.734 3.893 5.078) 15.151 11.029 ( 12.700 0.858 -1.215) 12.787 11.029 ( 12.700 0.858 1.215) 12.787 11.924 ( 5.753 0.770 -11.206) 12.620 11.924 ( 5.753 0.770 11.206) 12.620 12.588 ( 17.427 0.371 -11.937) 21.127 12.588 ( 17.427 0.371 11.937) 21.127 13.155 ( -16.385 3.901 -15.833) 23.117 13.155 ( -16.385 3.901 15.833) 23.117 14.166 ( 14.194 0.939 -12.683) 19.058 14.166 ( 14.194 0.939 12.683) 19.058 14.607 ( 31.841 -8.671 -7.895) 33.932 14.607 ( 31.841 -8.671 7.895) 33.932 15.805 ( -19.140 -7.042 -4.605) 20.907 15.805 ( -19.140 -7.042 4.605) 20.907 17.052 ( -16.455 -0.291 -4.563) 17.078 17.052 ( -16.455 -0.291 4.563) 17.078 18.730 ( -6.412 3.560 -1.955) 7.590 18.730 ( -6.412 3.560 1.955) 7.590 ======================= Grid point 472 (140/147) ======================= q-point: (-0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 1.869 0.012 -3.320) 3.810 1.637 ( 1.869 0.012 3.320) 3.810 1.808 ( -9.859 3.264 -10.173) 14.538 1.808 ( -9.859 3.264 10.173) 14.538 1.994 ( -0.239 1.663 -15.199) 15.291 1.994 ( -0.239 1.663 15.199) 15.291 2.496 ( -16.654 4.234 -16.131) 23.568 2.496 ( -16.654 4.234 16.131) 23.568 3.272 ( -1.834 5.372 -2.159) 6.073 3.272 ( -1.834 5.372 2.159) 6.073 3.518 ( 0.816 4.357 -7.189) 8.445 3.518 ( 0.816 4.357 7.189) 8.445 4.074 ( -2.375 -1.018 -12.923) 13.179 4.074 ( -2.375 -1.018 12.923) 13.179 4.435 ( -13.018 4.815 -14.266) 19.904 4.435 ( -13.018 4.815 14.266) 19.904 4.804 ( -13.331 -1.013 -1.214) 13.425 4.804 ( -13.331 -1.013 1.214) 13.425 5.765 ( 1.609 4.543 -24.311) 24.784 5.765 ( 1.609 4.543 24.311) 24.784 6.175 ( -14.738 3.783 -2.387) 15.402 6.175 ( -14.738 3.783 2.387) 15.402 6.924 ( -2.527 -21.538 -5.171) 22.294 6.924 ( -2.527 -21.538 5.171) 22.294 8.255 ( -0.789 2.147 -13.253) 13.449 8.255 ( -0.789 2.147 13.253) 13.449 9.762 ( 3.259 0.445 -5.798) 6.666 9.762 ( 3.259 0.445 5.798) 6.666 11.018 ( 7.550 4.308 -4.343) 9.717 11.018 ( 7.550 4.308 4.343) 9.717 11.318 ( 18.117 2.148 -7.989) 19.917 11.318 ( 18.117 2.148 7.989) 19.917 11.967 ( -1.024 2.561 -8.604) 9.035 11.967 ( -1.024 2.561 8.604) 9.035 12.664 ( -15.919 -5.457 -13.180) 21.375 12.664 ( -15.919 -5.457 13.180) 21.375 13.068 ( 13.773 -0.532 -7.969) 15.921 13.068 ( 13.773 -0.532 7.969) 15.921 14.319 ( 3.657 1.057 -10.280) 10.962 14.319 ( 3.657 1.057 10.280) 10.962 15.263 ( 22.848 0.120 -6.630) 23.791 15.263 ( 22.848 0.120 6.630) 23.791 15.597 ( 0.630 -12.169 -5.592) 13.407 15.597 ( 0.630 -12.169 5.592) 13.407 16.658 ( -25.673 -2.263 -3.637) 26.028 16.658 ( -25.673 -2.263 3.637) 26.028 18.608 ( -3.124 5.456 -1.524) 6.469 18.608 ( -3.124 5.456 1.524) 6.469 ======================= Grid point 474 (141/147) ======================= q-point: (-0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -0.000 6.064 -17.330) 18.361 1.637 ( -0.000 6.064 17.330) 18.361 1.706 ( 0.000 -0.874 -6.151) 6.213 1.706 ( 0.000 -0.874 6.151) 6.213 2.059 ( 0.000 -3.186 -17.278) 17.569 2.059 ( 0.000 -3.186 17.278) 17.569 2.223 ( -0.000 9.275 -20.680) 22.664 2.223 ( -0.000 9.275 20.680) 22.664 3.198 ( -0.000 10.783 -8.247) 13.575 3.198 ( -0.000 10.783 8.247) 13.575 3.516 ( -0.000 1.656 -2.165) 2.725 3.516 ( -0.000 1.656 2.165) 2.725 4.064 ( 0.000 -1.964 -15.255) 15.381 4.064 ( 0.000 -1.964 15.255) 15.381 4.261 ( -0.000 7.558 -21.891) 23.159 4.261 ( -0.000 7.558 21.891) 23.159 4.686 ( 0.000 -5.175 -0.498) 5.199 4.686 ( 0.000 -5.175 0.498) 5.199 5.754 ( -0.000 4.051 -23.570) 23.915 5.754 ( -0.000 4.051 23.570) 23.915 5.991 ( -0.000 5.426 -2.307) 5.896 5.991 ( -0.000 5.426 2.307) 5.896 7.055 ( 0.000 -22.295 -6.656) 23.268 7.055 ( 0.000 -22.295 6.656) 23.268 8.232 ( -0.000 2.489 -15.479) 15.678 8.232 ( -0.000 2.489 15.479) 15.678 9.792 ( 0.000 -0.033 -5.083) 5.083 9.792 ( 0.000 -0.033 5.083) 5.083 11.062 ( -0.000 4.587 -3.304) 5.653 11.062 ( -0.000 4.587 3.304) 5.653 11.557 ( -0.000 6.059 -12.055) 13.492 11.557 ( -0.000 6.059 12.055) 13.492 11.878 ( -0.000 0.402 -10.040) 10.048 11.878 ( -0.000 0.402 10.040) 10.048 12.519 ( 0.000 -10.576 -15.019) 18.369 12.519 ( 0.000 -10.576 15.019) 18.369 13.249 ( 0.000 -0.471 -13.047) 13.055 13.249 ( 0.000 -0.471 13.047) 13.055 14.333 ( -0.000 0.998 -8.896) 8.952 14.333 ( -0.000 0.998 8.896) 8.952 15.344 ( 0.000 -4.484 -14.740) 15.407 15.344 ( 0.000 -4.484 14.740) 15.407 16.107 ( -0.000 0.034 -2.833) 2.833 16.107 ( -0.000 0.034 2.833) 2.833 16.138 ( 0.000 -11.315 -9.191) 14.578 16.138 ( 0.000 -11.315 9.191) 14.578 18.537 ( -0.000 7.288 -4.246) 8.435 18.537 ( -0.000 7.288 4.246) 8.435 ======================= Grid point 492 (142/147) ======================= q-point: (-0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -2.371 -0.000 -0.852) 2.520 1.667 ( -2.371 -0.000 0.852) 2.520 2.132 ( -6.922 -0.000 -3.743) 7.869 2.132 ( -6.922 -0.000 3.743) 7.869 2.602 ( -22.635 -0.000 -6.002) 23.417 2.602 ( -22.635 -0.000 6.002) 23.417 3.153 ( -8.768 -0.000 -8.995) 12.562 3.153 ( -8.768 -0.000 8.995) 12.562 3.370 ( -4.486 -0.000 -11.657) 12.490 3.370 ( -4.486 -0.000 11.657) 12.490 3.743 ( -4.623 -0.000 -11.570) 12.460 3.743 ( -4.623 -0.000 11.570) 12.460 4.253 ( -12.876 -0.000 -14.323) 19.260 4.253 ( -12.876 -0.000 14.323) 19.260 5.204 ( -14.715 -0.000 -16.446) 22.068 5.204 ( -14.715 -0.000 16.446) 22.068 5.524 ( -18.884 -0.000 -2.738) 19.081 5.524 ( -18.884 -0.000 2.738) 19.081 5.755 ( -0.398 -0.000 -27.695) 27.698 5.755 ( -0.398 -0.000 27.695) 27.698 6.553 ( -12.201 -0.000 -3.399) 12.665 6.553 ( -12.201 -0.000 3.399) 12.665 7.408 ( -27.255 -0.000 -6.301) 27.974 7.408 ( -27.255 -0.000 6.301) 27.974 8.345 ( -3.844 -0.000 -4.377) 5.825 8.345 ( -3.844 -0.000 4.377) 5.825 9.534 ( 9.146 0.000 -11.042) 14.338 9.534 ( 9.146 0.000 11.042) 14.338 10.571 ( 17.550 0.000 -3.677) 17.931 10.571 ( 17.550 0.000 3.677) 17.931 10.846 ( 8.360 0.000 -7.255) 11.069 10.846 ( 8.360 0.000 7.255) 11.069 11.773 ( 9.292 0.000 -9.105) 13.009 11.773 ( 9.292 0.000 9.105) 13.009 12.323 ( 9.624 0.000 -10.651) 14.355 12.323 ( 9.624 0.000 10.651) 14.355 13.466 ( 14.990 0.000 -18.877) 24.105 13.466 ( 14.990 0.000 18.877) 24.105 13.696 ( 16.419 0.000 -16.707) 23.425 13.696 ( 16.419 0.000 16.707) 23.425 14.103 ( 4.579 0.000 -9.573) 10.611 14.103 ( 4.579 0.000 9.573) 10.611 16.106 ( -18.283 -0.000 -0.385) 18.287 16.106 ( -18.283 -0.000 0.385) 18.287 17.295 ( -8.609 -0.000 -8.689) 12.232 17.295 ( -8.609 -0.000 8.689) 12.232 18.898 ( -7.521 -0.000 -3.913) 8.478 18.898 ( -7.521 -0.000 3.913) 8.478 ======================= Grid point 496 (143/147) ======================= q-point: (-0.54 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -1.538 -0.133 -1.246) 1.984 1.626 ( -1.538 -0.133 1.246) 1.984 2.011 ( -5.967 0.517 -0.659) 6.026 2.011 ( -5.967 0.517 0.659) 6.026 2.199 ( -17.574 1.015 -13.574) 22.229 2.199 ( -17.574 1.015 13.574) 22.229 2.879 ( -17.720 1.245 -14.425) 22.883 2.879 ( -17.720 1.245 14.425) 22.883 3.332 ( -0.483 0.142 -6.569) 6.588 3.332 ( -0.483 0.142 6.569) 6.588 3.655 ( -3.606 3.929 -20.274) 20.963 3.655 ( -3.606 3.929 20.274) 20.963 4.086 ( -5.355 -3.313 -5.958) 8.668 4.086 ( -5.355 -3.313 5.958) 8.668 4.824 ( -20.969 1.128 -12.627) 24.503 4.824 ( -20.969 1.128 12.627) 24.503 5.160 ( -18.126 2.469 -2.761) 18.501 5.160 ( -18.126 2.469 2.761) 18.501 5.809 ( 4.390 3.183 -27.140) 27.676 5.809 ( 4.390 3.183 27.140) 27.676 6.380 ( -9.102 -6.345 -2.172) 11.307 6.380 ( -9.102 -6.345 2.172) 11.307 6.904 ( -23.641 -1.735 -3.223) 23.923 6.904 ( -23.641 -1.735 3.223) 23.923 8.298 ( -1.334 0.259 -6.942) 7.074 8.298 ( -1.334 0.259 6.942) 7.074 9.681 ( 6.331 0.365 -8.027) 10.230 9.681 ( 6.331 0.365 8.027) 10.230 10.878 ( 13.976 1.577 -5.415) 15.071 10.878 ( 13.976 1.577 5.415) 15.071 11.033 ( 12.413 0.030 -1.715) 12.531 11.033 ( 12.413 0.030 1.715) 12.531 11.931 ( 6.610 0.268 -12.399) 14.053 11.931 ( 6.610 0.268 12.399) 14.053 12.592 ( 16.810 0.171 -12.063) 20.691 12.592 ( 16.810 0.171 12.063) 20.691 13.191 ( -22.698 1.384 -19.723) 30.101 13.191 ( -22.698 1.384 19.723) 30.101 14.177 ( 14.218 0.595 -15.656) 21.157 14.177 ( 14.218 0.595 15.656) 21.157 14.527 ( 38.303 -3.231 -10.068) 39.735 14.527 ( 38.303 -3.231 10.068) 39.735 15.740 ( -20.121 -2.550 -1.903) 20.371 15.740 ( -20.121 -2.550 1.903) 20.371 17.051 ( -17.089 0.044 -3.991) 17.549 17.051 ( -17.089 0.044 3.991) 17.549 18.761 ( -6.121 1.116 -2.477) 6.697 18.761 ( -6.121 1.116 2.477) 6.697 ======================= Grid point 498 (144/147) ======================= q-point: (-0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 2.027 -0.693 -1.093) 2.405 1.630 ( 2.027 -0.693 1.093) 2.405 1.848 ( -9.044 2.543 -6.254) 11.286 1.848 ( -9.044 2.543 6.254) 11.286 2.004 ( -2.734 0.170 -17.713) 17.923 2.004 ( -2.734 0.170 17.713) 17.923 2.522 ( -17.457 0.419 -17.535) 24.747 2.522 ( -17.457 0.419 17.535) 24.747 3.326 ( 0.580 2.815 -5.250) 5.985 3.326 ( 0.580 2.815 5.250) 5.985 3.577 ( -1.298 3.623 -19.464) 19.841 3.577 ( -1.298 3.623 19.464) 19.841 4.057 ( -1.076 -1.206 -9.576) 9.712 4.057 ( -1.076 -1.206 9.576) 9.712 4.494 ( -9.796 3.249 -7.483) 12.748 4.494 ( -9.796 3.249 7.483) 12.748 4.815 ( -15.639 2.182 -1.413) 15.854 4.815 ( -15.639 2.182 1.413) 15.854 5.842 ( 2.500 6.715 -26.154) 27.118 5.842 ( 2.500 6.715 26.154) 27.118 6.203 ( -11.967 0.112 -2.232) 12.174 6.203 ( -11.967 0.112 2.232) 12.174 6.663 ( -6.712 -16.162 -2.084) 17.624 6.663 ( -6.712 -16.162 2.084) 17.624 8.279 ( -0.334 1.269 -9.695) 9.783 8.279 ( -0.334 1.269 9.695) 9.783 9.769 ( 3.123 0.497 -6.057) 6.833 9.769 ( 3.123 0.497 6.057) 6.833 11.065 ( 7.112 2.671 -4.433) 8.796 11.065 ( 7.112 2.671 4.433) 8.796 11.335 ( 19.054 0.578 -8.706) 20.957 11.335 ( 19.054 0.578 8.706) 20.957 11.996 ( -0.450 1.709 -10.699) 10.844 11.996 ( -0.450 1.709 10.699) 10.844 12.607 ( -19.957 -2.983 -15.265) 25.302 12.607 ( -19.957 -2.983 15.265) 25.302 13.062 ( 14.042 -0.301 -8.692) 16.517 13.062 ( 14.042 -0.301 8.692) 16.517 14.332 ( 3.796 0.806 -10.576) 11.266 14.332 ( 3.796 0.806 10.576) 11.266 15.276 ( 26.032 1.770 -8.345) 27.395 15.276 ( 26.032 1.770 8.345) 27.395 15.458 ( -0.608 -8.446 -1.931) 8.685 15.458 ( -0.608 -8.446 1.931) 8.685 16.640 ( -26.151 -0.696 -2.915) 26.322 16.640 ( -26.151 -0.696 2.915) 26.322 18.660 ( -3.085 2.485 -0.434) 3.985 18.660 ( -3.085 2.485 0.434) 3.985 ======================= Grid point 500 (145/147) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 0.000 -1.739 -2.435) 2.993 1.686 ( 0.000 -1.739 2.435) 2.993 1.715 ( -0.000 5.488 -13.606) 14.671 1.715 ( -0.000 5.488 13.606) 14.671 2.014 ( 0.000 -3.463 -19.124) 19.435 2.014 ( 0.000 -3.463 19.124) 19.435 2.303 ( -0.000 3.306 -19.465) 19.744 2.303 ( -0.000 3.306 19.465) 19.744 3.306 ( -0.000 5.542 -2.835) 6.225 3.306 ( -0.000 5.542 2.835) 6.225 3.550 ( -0.000 3.015 -14.187) 14.504 3.550 ( -0.000 3.015 14.187) 14.504 4.040 ( 0.000 -1.492 -14.238) 14.316 4.040 ( 0.000 -1.492 14.238) 14.316 4.391 ( -0.000 10.916 -8.937) 14.108 4.391 ( -0.000 10.916 8.937) 14.108 4.630 ( 0.000 -3.264 -0.247) 3.273 4.630 ( 0.000 -3.264 0.247) 3.273 5.822 ( -0.000 6.529 -25.245) 26.075 5.822 ( -0.000 6.529 25.245) 26.075 6.051 ( -0.000 3.519 -1.709) 3.912 6.051 ( -0.000 3.519 1.709) 3.912 6.751 ( 0.000 -22.683 -3.723) 22.987 6.751 ( 0.000 -22.683 3.723) 22.987 8.264 ( -0.000 2.133 -11.922) 12.111 8.264 ( -0.000 2.133 11.922) 12.111 9.795 ( -0.000 0.457 -5.388) 5.407 9.795 ( -0.000 0.457 5.388) 5.407 11.114 ( -0.000 3.207 -3.634) 4.847 11.114 ( -0.000 3.207 3.634) 4.847 11.626 ( -0.000 4.101 -10.042) 10.847 11.626 ( -0.000 4.101 10.042) 10.847 11.883 ( -0.000 0.286 -10.025) 10.029 11.883 ( -0.000 0.286 10.025) 10.029 12.405 ( 0.000 -6.602 -11.658) 13.397 12.405 ( 0.000 -6.602 11.658) 13.397 13.243 ( 0.000 -0.336 -13.021) 13.026 13.243 ( 0.000 -0.336 13.021) 13.026 14.348 ( -0.000 1.108 -8.953) 9.021 14.348 ( -0.000 1.108 8.953) 9.021 15.278 ( 0.000 -4.881 -9.638) 10.804 15.278 ( 0.000 -4.881 9.638) 10.804 16.032 ( 0.000 -5.169 -13.795) 14.731 16.032 ( 0.000 -5.169 13.795) 14.731 16.108 ( -0.000 0.024 -2.799) 2.799 16.108 ( -0.000 0.024 2.799) 2.799 18.610 ( -0.000 3.866 -1.584) 4.178 18.610 ( -0.000 3.866 1.584) 4.178 ======================= Grid point 522 (146/147) ======================= q-point: (-0.54 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 1.900 0.000 -1.063) 2.177 1.625 ( 1.900 0.000 1.063) 2.177 1.867 ( -8.223 -0.000 -0.048) 8.223 1.867 ( -8.223 -0.000 0.048) 8.223 2.004 ( -4.026 -0.000 -19.408) 19.821 2.004 ( -4.026 -0.000 19.408) 19.821 2.523 ( -17.462 -0.000 -17.763) 24.909 2.523 ( -17.462 -0.000 17.763) 24.909 3.345 ( 1.026 0.000 -5.696) 5.788 3.345 ( 1.026 0.000 5.696) 5.788 3.601 ( -2.310 -0.000 -25.322) 25.427 3.601 ( -2.310 -0.000 25.322) 25.427 4.048 ( -0.372 -0.000 -7.823) 7.831 4.048 ( -0.372 -0.000 7.823) 7.831 4.515 ( -8.596 -0.000 -4.716) 9.804 4.515 ( -8.596 -0.000 4.716) 9.804 4.835 ( -16.313 -0.000 -0.637) 16.326 4.835 ( -16.313 -0.000 0.637) 16.326 5.903 ( 3.395 0.000 -27.841) 28.047 5.903 ( 3.395 0.000 27.841) 28.047 6.192 ( -8.794 -0.000 -1.572) 8.933 6.192 ( -8.794 -0.000 1.572) 8.933 6.548 ( -11.009 -0.000 -0.207) 11.011 6.548 ( -11.009 -0.000 0.207) 11.011 8.287 ( -0.147 -0.000 -7.960) 7.961 8.287 ( -0.147 -0.000 7.960) 7.961 9.772 ( 3.077 0.000 -6.135) 6.864 9.772 ( 3.077 0.000 6.135) 6.864 11.084 ( 6.848 0.000 -4.264) 8.067 11.084 ( 6.848 0.000 4.264) 8.067 11.338 ( 19.474 0.000 -9.024) 21.464 11.338 ( 19.474 0.000 9.024) 21.464 12.008 ( -0.118 -0.000 -11.478) 11.479 12.008 ( -0.118 -0.000 11.478) 11.479 12.587 ( -21.380 -0.000 -15.903) 26.646 12.587 ( -21.380 -0.000 15.903) 26.646 13.060 ( 14.137 0.000 -8.962) 16.738 13.060 ( 14.137 0.000 8.962) 16.738 14.338 ( 3.857 0.000 -10.548) 11.232 14.338 ( 3.857 0.000 10.548) 11.232 15.296 ( 31.822 0.000 -8.787) 33.013 15.296 ( 31.822 0.000 8.787) 33.013 15.393 ( -5.807 -0.000 -0.945) 5.884 15.393 ( -5.807 -0.000 0.945) 5.884 16.636 ( -26.300 -0.000 -2.554) 26.424 16.636 ( -26.300 -0.000 2.554) 26.424 18.676 ( -3.078 -0.000 -0.841) 3.191 18.676 ( -3.078 -0.000 0.841) 3.191 ======================= Grid point 526 (147/147) ======================= q-point: (-0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.000 -0.756 -0.708) 1.036 1.668 ( 0.000 -0.756 0.708) 1.036 1.773 ( -0.000 2.713 -7.153) 7.650 1.773 ( -0.000 2.713 7.153) 7.650 1.975 ( 0.000 -1.985 -21.478) 21.569 1.975 ( 0.000 -1.985 21.478) 21.569 2.326 ( -0.000 0.596 -18.245) 18.255 2.326 ( -0.000 0.596 18.245) 18.255 3.352 ( -0.000 1.697 -4.902) 5.187 3.352 ( -0.000 1.697 4.902) 5.187 3.580 ( -0.000 1.183 -23.338) 23.368 3.580 ( -0.000 1.183 23.338) 23.368 4.026 ( 0.000 -0.559 -13.641) 13.652 4.026 ( 0.000 -0.559 13.641) 13.652 4.507 ( -0.000 5.174 -1.738) 5.459 4.507 ( -0.000 5.174 1.738) 5.459 4.601 ( 0.000 -1.107 -0.706) 1.313 4.601 ( 0.000 -1.107 0.706) 1.313 5.917 ( -0.000 6.179 -27.412) 28.100 5.917 ( -0.000 6.179 27.412) 28.100 6.083 ( -0.000 1.215 -1.327) 1.800 6.083 ( -0.000 1.215 1.327) 1.800 6.499 ( 0.000 -12.667 -1.472) 12.752 6.499 ( 0.000 -12.667 1.472) 12.752 8.284 ( -0.000 0.793 -8.971) 9.006 8.284 ( -0.000 0.793 8.971) 9.006 9.800 ( -0.000 0.252 -5.514) 5.520 9.800 ( -0.000 0.252 5.514) 5.520 11.144 ( -0.000 1.204 -3.553) 3.752 11.144 ( -0.000 1.204 3.553) 3.752 11.662 ( -0.000 1.382 -6.550) 6.694 11.662 ( -0.000 1.382 6.550) 6.694 11.886 ( -0.000 0.103 -10.016) 10.016 11.886 ( -0.000 0.103 10.016) 10.016 12.347 ( 0.000 -2.239 -6.402) 6.782 12.347 ( 0.000 -2.239 6.402) 6.782 13.240 ( 0.000 -0.122 -13.006) 13.007 13.240 ( 0.000 -0.122 13.006) 13.007 14.359 ( -0.000 0.489 -8.574) 8.588 14.359 ( -0.000 0.489 8.574) 8.588 15.229 ( 0.000 -2.087 -4.528) 4.986 15.229 ( 0.000 -2.087 4.528) 4.986 15.991 ( 0.000 -1.396 -15.643) 15.705 15.991 ( 0.000 -1.396 15.643) 15.705 16.108 ( -0.000 0.009 -2.780) 2.780 16.108 ( -0.000 0.009 2.780) 2.780 18.643 ( -0.000 1.202 -0.196) 1.218 18.643 ( -0.000 1.202 0.196) 1.218 =================== 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 3/32448 10.0 625.880 1076.856 496.593 0.000 0.000 -0.000 3/32448 20.0 123.954 140.248 95.156 0.000 0.000 -0.000 3/32448 30.0 59.209 55.186 45.385 0.000 0.000 -0.000 3/32448 40.0 42.031 33.749 32.123 0.000 0.000 -0.000 3/32448 50.0 33.983 24.782 26.196 0.000 0.000 -0.000 3/32448 60.0 29.105 19.916 22.691 0.000 0.000 -0.000 3/32448 70.0 25.669 16.812 20.179 0.000 0.000 -0.000 3/32448 80.0 23.016 14.608 18.170 0.000 0.000 -0.000 3/32448 90.0 20.857 12.930 16.481 0.000 0.000 -0.000 3/32448 100.0 19.053 11.595 15.032 0.000 0.000 -0.000 3/32448 110.0 17.520 10.502 13.781 0.000 0.000 -0.000 3/32448 120.0 16.204 9.591 12.695 0.000 0.000 -0.000 3/32448 130.0 15.065 8.819 11.749 0.000 0.000 -0.000 3/32448 140.0 14.071 8.159 10.921 0.000 0.000 -0.000 3/32448 150.0 13.198 7.587 10.194 0.000 0.000 -0.000 3/32448 160.0 12.426 7.090 9.552 0.000 0.000 -0.000 3/32448 170.0 11.739 6.652 8.982 0.000 0.000 -0.000 3/32448 180.0 11.123 6.265 8.474 0.000 0.000 -0.000 3/32448 190.0 10.570 5.920 8.019 0.000 0.000 -0.000 3/32448 200.0 10.069 5.612 7.609 0.000 0.000 -0.000 3/32448 210.0 9.614 5.334 7.238 0.000 0.000 -0.000 3/32448 220.0 9.198 5.082 6.901 0.000 0.000 -0.000 3/32448 230.0 8.817 4.854 6.594 0.000 0.000 -0.000 3/32448 240.0 8.467 4.645 6.313 0.000 0.000 -0.000 3/32448 250.0 8.143 4.454 6.054 0.000 0.000 -0.000 3/32448 260.0 7.843 4.278 5.816 0.000 0.000 -0.000 3/32448 270.0 7.565 4.115 5.596 0.000 0.000 -0.000 3/32448 280.0 7.306 3.965 5.393 0.000 0.000 -0.000 3/32448 290.0 7.064 3.825 5.203 0.000 0.000 -0.000 3/32448 300.0 6.837 3.695 5.026 0.000 0.000 -0.000 3/32448 310.0 6.625 3.574 4.861 0.000 0.000 -0.000 3/32448 320.0 6.425 3.460 4.707 0.000 0.000 -0.000 3/32448 330.0 6.237 3.353 4.562 0.000 0.000 -0.000 3/32448 340.0 6.060 3.253 4.426 0.000 0.000 -0.000 3/32448 350.0 5.893 3.159 4.297 0.000 0.000 -0.000 3/32448 360.0 5.734 3.070 4.176 0.000 0.000 -0.000 3/32448 370.0 5.584 2.986 4.062 0.000 0.000 -0.000 3/32448 380.0 5.441 2.907 3.954 0.000 0.000 -0.000 3/32448 390.0 5.306 2.832 3.851 0.000 0.000 -0.000 3/32448 400.0 5.177 2.760 3.754 0.000 0.000 -0.000 3/32448 410.0 5.054 2.692 3.661 0.000 0.000 -0.000 3/32448 420.0 4.937 2.628 3.573 0.000 0.000 -0.000 3/32448 430.0 4.825 2.566 3.489 0.000 0.000 -0.000 3/32448 440.0 4.718 2.507 3.409 0.000 0.000 -0.000 3/32448 450.0 4.615 2.451 3.333 0.000 0.000 -0.000 3/32448 460.0 4.517 2.398 3.260 0.000 0.000 -0.000 3/32448 470.0 4.423 2.346 3.190 0.000 0.000 -0.000 3/32448 480.0 4.333 2.297 3.123 0.000 0.000 -0.000 3/32448 490.0 4.247 2.250 3.059 0.000 0.000 -0.000 3/32448 500.0 4.164 2.205 2.997 0.000 0.000 -0.000 3/32448 510.0 4.084 2.161 2.938 0.000 0.000 -0.000 3/32448 520.0 4.007 2.120 2.881 0.000 0.000 -0.000 3/32448 530.0 3.932 2.080 2.826 0.000 0.000 -0.000 3/32448 540.0 3.861 2.041 2.774 0.000 0.000 -0.000 3/32448 550.0 3.792 2.004 2.723 0.000 0.000 -0.000 3/32448 560.0 3.725 1.968 2.674 0.000 0.000 -0.000 3/32448 570.0 3.661 1.933 2.627 0.000 0.000 -0.000 3/32448 580.0 3.599 1.900 2.581 0.000 0.000 -0.000 3/32448 590.0 3.539 1.867 2.537 0.000 0.000 -0.000 3/32448 600.0 3.481 1.836 2.495 0.000 0.000 -0.000 3/32448 610.0 3.425 1.806 2.454 0.000 0.000 -0.000 3/32448 620.0 3.370 1.777 2.414 0.000 0.000 -0.000 3/32448 630.0 3.318 1.749 2.376 0.000 0.000 -0.000 3/32448 640.0 3.267 1.721 2.338 0.000 0.000 -0.000 3/32448 650.0 3.217 1.695 2.302 0.000 0.000 -0.000 3/32448 660.0 3.169 1.669 2.267 0.000 0.000 -0.000 3/32448 670.0 3.122 1.644 2.233 0.000 0.000 -0.000 3/32448 680.0 3.077 1.620 2.200 0.000 0.000 -0.000 3/32448 690.0 3.033 1.596 2.168 0.000 0.000 -0.000 3/32448 700.0 2.990 1.573 2.137 0.000 0.000 -0.000 3/32448 710.0 2.949 1.551 2.107 0.000 0.000 -0.000 3/32448 720.0 2.908 1.530 2.078 0.000 0.000 -0.000 3/32448 730.0 2.869 1.509 2.049 0.000 0.000 -0.000 3/32448 740.0 2.830 1.488 2.021 0.000 0.000 -0.000 3/32448 750.0 2.793 1.468 1.994 0.000 0.000 -0.000 3/32448 760.0 2.757 1.449 1.968 0.000 0.000 -0.000 3/32448 770.0 2.721 1.430 1.942 0.000 0.000 -0.000 3/32448 780.0 2.687 1.412 1.917 0.000 0.000 -0.000 3/32448 790.0 2.653 1.394 1.893 0.000 0.000 -0.000 3/32448 800.0 2.620 1.377 1.869 0.000 0.000 -0.000 3/32448 810.0 2.588 1.360 1.846 0.000 0.000 -0.000 3/32448 820.0 2.557 1.343 1.824 0.000 0.000 -0.000 3/32448 830.0 2.526 1.327 1.802 0.000 0.000 -0.000 3/32448 840.0 2.497 1.311 1.780 0.000 0.000 -0.000 3/32448 850.0 2.468 1.296 1.759 0.000 0.000 -0.000 3/32448 860.0 2.439 1.281 1.739 0.000 0.000 -0.000 3/32448 870.0 2.411 1.266 1.719 0.000 0.000 -0.000 3/32448 880.0 2.384 1.251 1.699 0.000 0.000 -0.000 3/32448 890.0 2.358 1.237 1.680 0.000 0.000 -0.000 3/32448 900.0 2.332 1.224 1.661 0.000 0.000 -0.000 3/32448 910.0 2.306 1.210 1.643 0.000 0.000 -0.000 3/32448 920.0 2.281 1.197 1.625 0.000 0.000 -0.000 3/32448 930.0 2.257 1.184 1.608 0.000 0.000 -0.000 3/32448 940.0 2.233 1.172 1.591 0.000 0.000 -0.000 3/32448 950.0 2.210 1.159 1.574 0.000 0.000 -0.000 3/32448 960.0 2.187 1.147 1.557 0.000 0.000 -0.000 3/32448 970.0 2.165 1.135 1.541 0.000 0.000 -0.000 3/32448 980.0 2.143 1.124 1.526 0.000 0.000 -0.000 3/32448 990.0 2.121 1.112 1.510 0.000 0.000 -0.000 3/32448 1000.0 2.100 1.101 1.495 0.000 0.000 -0.000 3/32448 Thermal conductivity related properties were written into "kappa-m13134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:25:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|