----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:32:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.472416063935599 1.427450080061970 4.169792363333328 b -2.472416063935595 1.427450080061970 4.169792363333328 c 0.000000000000003 -2.854900160123945 4.169792363333328 Atomic positions (fractional): *1 F 0.17323402193022 0.75000000000000 0.32676597806978 18.998 2 F 0.32676597806978 0.17323402193022 0.75000000000000 18.998 3 F 0.25000000000000 0.67323402193022 0.82676597806978 18.998 4 F 0.67323402193022 0.82676597806979 0.25000000000000 18.998 5 F 0.82676597806978 0.25000000000000 0.67323402193022 18.998 6 F 0.75000000000000 0.32676597806979 0.17323402193022 18.998 *7 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 8 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.944832127871194 0.000000000000000 0.000000000000000 b -2.472416063935597 4.282350240185916 0.000000000000000 c 0.000000000000000 0.000000000000000 12.509377089999997 Atomic positions (fractional): *1 F 0.42323402193022 0.42323402193022 0.75000000000000 18.998 > 1 2 F 0.57676597806978 0.00000000000000 0.75000000000000 18.998 > 2 3 F 0.33333333333333 0.08990068859688 0.91666666666667 18.998 > 3 4 F 0.75656735526355 0.66666666666667 0.91666666666667 18.998 > 4 5 F 0.91009931140312 0.24343264473645 0.91666666666667 18.998 > 5 6 F 0.00000000000000 0.57676597806978 0.75000000000000 18.998 > 6 7 F 0.08990068859688 0.75656735526355 0.08333333333333 18.998 > 1 8 F 0.24343264473645 0.33333333333333 0.08333333333333 18.998 > 2 9 F 0.00000000000000 0.42323402193022 0.25000000000000 18.998 > 3 10 F 0.42323402193022 0.00000000000000 0.25000000000000 18.998 > 4 11 F 0.57676597806978 0.57676597806978 0.25000000000000 18.998 > 5 12 F 0.66666666666667 0.91009931140312 0.08333333333333 18.998 > 6 13 F 0.75656735526355 0.08990068859688 0.41666666666667 18.998 > 1 14 F 0.91009931140312 0.66666666666667 0.41666666666667 18.998 > 2 15 F 0.66666666666667 0.75656735526355 0.58333333333333 18.998 > 3 16 F 0.08990068859688 0.33333333333333 0.58333333333333 18.998 > 4 17 F 0.24343264473645 0.91009931140312 0.58333333333333 18.998 > 5 18 F 0.33333333333333 0.24343264473645 0.41666666666667 18.998 > 6 *19 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 7 20 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 8 21 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 7 22 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 8 23 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 7 24 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.889664255742389 0.000000000000000 0.000000000000000 b -4.944832127871194 8.564700480371831 0.000000000000000 c 0.000000000000000 0.000000000000000 12.509377089999997 Atomic positions (fractional): *1 F 0.21161701096511 0.21161701096511 0.75000000000000 18.998 > 1 2 F 0.71161701096511 0.21161701096511 0.75000000000000 18.998 > 1 3 F 0.21161701096511 0.71161701096511 0.75000000000000 18.998 > 1 4 F 0.71161701096511 0.71161701096511 0.75000000000000 18.998 > 1 5 F 0.28838298903489 0.00000000000000 0.75000000000000 18.998 > 2 6 F 0.78838298903489 0.00000000000000 0.75000000000000 18.998 > 2 7 F 0.28838298903489 0.50000000000000 0.75000000000000 18.998 > 2 8 F 0.78838298903489 0.50000000000000 0.75000000000000 18.998 > 2 9 F 0.16666666666667 0.04495034429844 0.91666666666667 18.998 > 3 10 F 0.66666666666667 0.04495034429844 0.91666666666667 18.998 > 3 11 F 0.16666666666667 0.54495034429844 0.91666666666667 18.998 > 3 12 F 0.66666666666667 0.54495034429844 0.91666666666667 18.998 > 3 13 F 0.37828367763178 0.33333333333333 0.91666666666667 18.998 > 4 14 F 0.87828367763178 0.33333333333333 0.91666666666667 18.998 > 4 15 F 0.37828367763178 0.83333333333333 0.91666666666667 18.998 > 4 16 F 0.87828367763178 0.83333333333333 0.91666666666667 18.998 > 4 17 F 0.45504965570156 0.12171632236822 0.91666666666667 18.998 > 5 18 F 0.95504965570156 0.12171632236822 0.91666666666667 18.998 > 5 19 F 0.45504965570156 0.62171632236822 0.91666666666667 18.998 > 5 20 F 0.95504965570156 0.62171632236822 0.91666666666667 18.998 > 5 21 F 0.00000000000000 0.28838298903489 0.75000000000000 18.998 > 6 22 F 0.50000000000000 0.28838298903489 0.75000000000000 18.998 > 6 23 F 0.00000000000000 0.78838298903489 0.75000000000000 18.998 > 6 24 F 0.50000000000000 0.78838298903489 0.75000000000000 18.998 > 6 25 F 0.04495034429844 0.37828367763178 0.08333333333333 18.998 > 1 26 F 0.54495034429844 0.37828367763178 0.08333333333333 18.998 > 1 27 F 0.04495034429844 0.87828367763178 0.08333333333333 18.998 > 1 28 F 0.54495034429844 0.87828367763178 0.08333333333333 18.998 > 1 29 F 0.12171632236822 0.16666666666667 0.08333333333333 18.998 > 2 30 F 0.62171632236822 0.16666666666667 0.08333333333333 18.998 > 2 31 F 0.12171632236822 0.66666666666667 0.08333333333333 18.998 > 2 32 F 0.62171632236822 0.66666666666667 0.08333333333333 18.998 > 2 33 F 0.00000000000000 0.21161701096511 0.25000000000000 18.998 > 3 34 F 0.50000000000000 0.21161701096511 0.25000000000000 18.998 > 3 35 F 0.00000000000000 0.71161701096511 0.25000000000000 18.998 > 3 36 F 0.50000000000000 0.71161701096511 0.25000000000000 18.998 > 3 37 F 0.21161701096511 0.00000000000000 0.25000000000000 18.998 > 4 38 F 0.71161701096511 0.00000000000000 0.25000000000000 18.998 > 4 39 F 0.21161701096511 0.50000000000000 0.25000000000000 18.998 > 4 40 F 0.71161701096511 0.50000000000000 0.25000000000000 18.998 > 4 41 F 0.28838298903489 0.28838298903489 0.25000000000000 18.998 > 5 42 F 0.78838298903489 0.28838298903489 0.25000000000000 18.998 > 5 43 F 0.28838298903489 0.78838298903489 0.25000000000000 18.998 > 5 44 F 0.78838298903489 0.78838298903489 0.25000000000000 18.998 > 5 45 F 0.33333333333333 0.45504965570156 0.08333333333333 18.998 > 6 46 F 0.83333333333333 0.45504965570156 0.08333333333333 18.998 > 6 47 F 0.33333333333333 0.95504965570156 0.08333333333333 18.998 > 6 48 F 0.83333333333333 0.95504965570156 0.08333333333333 18.998 > 6 49 F 0.37828367763178 0.04495034429844 0.41666666666667 18.998 > 1 50 F 0.87828367763178 0.04495034429844 0.41666666666667 18.998 > 1 51 F 0.37828367763178 0.54495034429844 0.41666666666667 18.998 > 1 52 F 0.87828367763178 0.54495034429844 0.41666666666667 18.998 > 1 53 F 0.45504965570156 0.33333333333333 0.41666666666667 18.998 > 2 54 F 0.95504965570156 0.33333333333333 0.41666666666667 18.998 > 2 55 F 0.45504965570156 0.83333333333333 0.41666666666667 18.998 > 2 56 F 0.95504965570156 0.83333333333333 0.41666666666667 18.998 > 2 57 F 0.33333333333333 0.37828367763178 0.58333333333333 18.998 > 3 58 F 0.83333333333333 0.37828367763178 0.58333333333333 18.998 > 3 59 F 0.33333333333333 0.87828367763178 0.58333333333333 18.998 > 3 60 F 0.83333333333333 0.87828367763178 0.58333333333333 18.998 > 3 61 F 0.04495034429844 0.16666666666667 0.58333333333333 18.998 > 4 62 F 0.54495034429844 0.16666666666667 0.58333333333333 18.998 > 4 63 F 0.04495034429844 0.66666666666667 0.58333333333333 18.998 > 4 64 F 0.54495034429844 0.66666666666667 0.58333333333333 18.998 > 4 65 F 0.12171632236822 0.45504965570156 0.58333333333333 18.998 > 5 66 F 0.62171632236822 0.45504965570156 0.58333333333333 18.998 > 5 67 F 0.12171632236822 0.95504965570156 0.58333333333333 18.998 > 5 68 F 0.62171632236822 0.95504965570156 0.58333333333333 18.998 > 5 69 F 0.16666666666667 0.12171632236822 0.41666666666667 18.998 > 6 70 F 0.66666666666667 0.12171632236822 0.41666666666667 18.998 > 6 71 F 0.16666666666667 0.62171632236822 0.41666666666667 18.998 > 6 72 F 0.66666666666667 0.62171632236822 0.41666666666667 18.998 > 6 *73 Al 0.33333333333333 0.16666666666667 0.83333333333333 26.982 > 7 74 Al 0.83333333333333 0.16666666666667 0.83333333333333 26.982 > 7 75 Al 0.33333333333333 0.66666666666667 0.83333333333333 26.982 > 7 76 Al 0.83333333333333 0.66666666666667 0.83333333333333 26.982 > 7 77 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 8 78 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 8 79 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 8 80 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 8 81 Al 0.16666666666667 0.33333333333333 0.16666666666667 26.982 > 7 82 Al 0.66666666666667 0.33333333333333 0.16666666666667 26.982 > 7 83 Al 0.16666666666667 0.83333333333333 0.16666666666667 26.982 > 7 84 Al 0.66666666666667 0.83333333333333 0.16666666666667 26.982 > 7 85 Al 0.33333333333333 0.16666666666667 0.33333333333333 26.982 > 8 86 Al 0.83333333333333 0.16666666666667 0.33333333333333 26.982 > 8 87 Al 0.33333333333333 0.66666666666667 0.33333333333333 26.982 > 8 88 Al 0.83333333333333 0.66666666666667 0.33333333333333 26.982 > 8 89 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 7 90 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 7 91 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 7 92 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 7 93 Al 0.16666666666667 0.33333333333333 0.66666666666667 26.982 > 8 94 Al 0.66666666666667 0.33333333333333 0.66666666666667 26.982 > 8 95 Al 0.16666666666667 0.83333333333333 0.66666666666667 26.982 > 8 96 Al 0.66666666666667 0.83333333333333 0.66666666666667 26.982 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9781100 -0.0000000 0.0000000 -0.0000000 1.9781100 0.0000000 0.0000000 0.0000000 1.9816738 -------------------------- Born effective charges -------------------------- 1 F -1.1125765 0.2307121 -0.3520320 0.2307121 -0.8461732 0.2032458 -0.3524184 0.2034688 -0.9883080 2 F -0.7129715 0.0000000 0.0000000 0.0000000 -1.2457782 -0.4064916 0.0000000 -0.4069377 -0.9883080 3 F -1.1125765 -0.2307121 0.3520320 -0.2307121 -0.8461732 0.2032458 0.3524184 0.2034688 -0.9883080 4 F -0.7129715 0.0000000 0.0000000 0.0000000 -1.2457782 -0.4064916 0.0000000 -0.4069377 -0.9883080 5 F -1.1125765 0.2307121 -0.3520320 0.2307121 -0.8461732 0.2032458 -0.3524184 0.2034688 -0.9883080 6 F -1.1125765 -0.2307121 0.3520320 -0.2307121 -0.8461732 0.2032458 0.3524184 0.2034688 -0.9883080 7 Al 2.9381246 0.1218609 0.0000000 -0.1218609 2.9381246 0.0000000 0.0000000 0.0000000 2.9649240 8 Al 2.9381246 -0.1218609 0.0000000 0.1218609 2.9381246 0.0000000 0.0000000 0.0000000 2.9649240 ---------------------------------------------------------------------------- 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: 4992/4992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 335 Number of blocks in projector: 174 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 49 Use standard eigh solver. Tree of FC basis block matrices: - (335, 327), data: False |-- (49, 47), data: True |-- (128, 126), data: True |-- (158, 154), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 80 / 80 - Time: 0.191 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.200 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 4992/4992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 335 Number of blocks in projector: 174 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 49 Use standard eigh solver. Tree of FC basis block matrices: - (335, 327), data: False |-- (49, 47), data: True |-- (128, 126), data: True |-- (158, 154), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:32:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:32:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.472416063935599 1.427450080061970 4.169792363333328 b -2.472416063935595 1.427450080061970 4.169792363333328 c 0.000000000000003 -2.854900160123945 4.169792363333328 Atomic positions (fractional): 1 F 0.17323402193022 0.75000000000000 0.32676597806978 18.998 2 F 0.32676597806978 0.17323402193022 0.75000000000000 18.998 3 F 0.25000000000000 0.67323402193022 0.82676597806978 18.998 4 F 0.67323402193022 0.82676597806979 0.25000000000000 18.998 5 F 0.82676597806978 0.25000000000000 0.67323402193022 18.998 6 F 0.75000000000000 0.32676597806979 0.17323402193022 18.998 7 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 8 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.889664255742389 0.000000000000000 0.000000000000000 b -4.944832127871194 8.564700480371831 0.000000000000000 c 0.000000000000000 0.000000000000000 12.509377089999997 Atomic positions (fractional): 1 F 0.21161701096511 0.21161701096511 0.75000000000000 18.998 > 1 2 F 0.71161701096511 0.21161701096511 0.75000000000000 18.998 > 1 3 F 0.21161701096511 0.71161701096511 0.75000000000000 18.998 > 1 4 F 0.71161701096511 0.71161701096511 0.75000000000000 18.998 > 1 5 F 0.28838298903489 0.00000000000000 0.75000000000000 18.998 > 5 6 F 0.78838298903489 0.00000000000000 0.75000000000000 18.998 > 5 7 F 0.28838298903489 0.50000000000000 0.75000000000000 18.998 > 5 8 F 0.78838298903489 0.50000000000000 0.75000000000000 18.998 > 5 9 F 0.16666666666667 0.04495034429844 0.91666666666667 18.998 > 9 10 F 0.66666666666667 0.04495034429844 0.91666666666667 18.998 > 9 11 F 0.16666666666667 0.54495034429844 0.91666666666667 18.998 > 9 12 F 0.66666666666667 0.54495034429844 0.91666666666667 18.998 > 9 13 F 0.37828367763178 0.33333333333333 0.91666666666667 18.998 > 13 14 F 0.87828367763178 0.33333333333333 0.91666666666667 18.998 > 13 15 F 0.37828367763178 0.83333333333333 0.91666666666667 18.998 > 13 16 F 0.87828367763178 0.83333333333333 0.91666666666667 18.998 > 13 17 F 0.45504965570156 0.12171632236822 0.91666666666667 18.998 > 17 18 F 0.95504965570156 0.12171632236822 0.91666666666667 18.998 > 17 19 F 0.45504965570156 0.62171632236822 0.91666666666667 18.998 > 17 20 F 0.95504965570156 0.62171632236822 0.91666666666667 18.998 > 17 21 F 0.00000000000000 0.28838298903489 0.75000000000000 18.998 > 21 22 F 0.50000000000000 0.28838298903489 0.75000000000000 18.998 > 21 23 F 0.00000000000000 0.78838298903489 0.75000000000000 18.998 > 21 24 F 0.50000000000000 0.78838298903489 0.75000000000000 18.998 > 21 25 F 0.04495034429844 0.37828367763178 0.08333333333333 18.998 > 1 26 F 0.54495034429844 0.37828367763178 0.08333333333333 18.998 > 1 27 F 0.04495034429844 0.87828367763178 0.08333333333333 18.998 > 1 28 F 0.54495034429844 0.87828367763178 0.08333333333333 18.998 > 1 29 F 0.12171632236822 0.16666666666667 0.08333333333333 18.998 > 5 30 F 0.62171632236822 0.16666666666667 0.08333333333333 18.998 > 5 31 F 0.12171632236822 0.66666666666667 0.08333333333333 18.998 > 5 32 F 0.62171632236822 0.66666666666667 0.08333333333333 18.998 > 5 33 F 0.00000000000000 0.21161701096511 0.25000000000000 18.998 > 9 34 F 0.50000000000000 0.21161701096511 0.25000000000000 18.998 > 9 35 F 0.00000000000000 0.71161701096511 0.25000000000000 18.998 > 9 36 F 0.50000000000000 0.71161701096511 0.25000000000000 18.998 > 9 37 F 0.21161701096511 0.00000000000000 0.25000000000000 18.998 > 13 38 F 0.71161701096511 0.00000000000000 0.25000000000000 18.998 > 13 39 F 0.21161701096511 0.50000000000000 0.25000000000000 18.998 > 13 40 F 0.71161701096511 0.50000000000000 0.25000000000000 18.998 > 13 41 F 0.28838298903489 0.28838298903489 0.25000000000000 18.998 > 17 42 F 0.78838298903489 0.28838298903489 0.25000000000000 18.998 > 17 43 F 0.28838298903489 0.78838298903489 0.25000000000000 18.998 > 17 44 F 0.78838298903489 0.78838298903489 0.25000000000000 18.998 > 17 45 F 0.33333333333333 0.45504965570156 0.08333333333333 18.998 > 21 46 F 0.83333333333333 0.45504965570156 0.08333333333333 18.998 > 21 47 F 0.33333333333333 0.95504965570156 0.08333333333333 18.998 > 21 48 F 0.83333333333333 0.95504965570156 0.08333333333333 18.998 > 21 49 F 0.37828367763178 0.04495034429844 0.41666666666667 18.998 > 1 50 F 0.87828367763178 0.04495034429844 0.41666666666667 18.998 > 1 51 F 0.37828367763178 0.54495034429844 0.41666666666667 18.998 > 1 52 F 0.87828367763178 0.54495034429844 0.41666666666667 18.998 > 1 53 F 0.45504965570156 0.33333333333333 0.41666666666667 18.998 > 5 54 F 0.95504965570156 0.33333333333333 0.41666666666667 18.998 > 5 55 F 0.45504965570156 0.83333333333333 0.41666666666667 18.998 > 5 56 F 0.95504965570156 0.83333333333333 0.41666666666667 18.998 > 5 57 F 0.33333333333333 0.37828367763178 0.58333333333333 18.998 > 9 58 F 0.83333333333333 0.37828367763178 0.58333333333333 18.998 > 9 59 F 0.33333333333333 0.87828367763178 0.58333333333333 18.998 > 9 60 F 0.83333333333333 0.87828367763178 0.58333333333333 18.998 > 9 61 F 0.04495034429844 0.16666666666667 0.58333333333333 18.998 > 13 62 F 0.54495034429844 0.16666666666667 0.58333333333333 18.998 > 13 63 F 0.04495034429844 0.66666666666667 0.58333333333333 18.998 > 13 64 F 0.54495034429844 0.66666666666667 0.58333333333333 18.998 > 13 65 F 0.12171632236822 0.45504965570156 0.58333333333333 18.998 > 17 66 F 0.62171632236822 0.45504965570156 0.58333333333333 18.998 > 17 67 F 0.12171632236822 0.95504965570156 0.58333333333333 18.998 > 17 68 F 0.62171632236822 0.95504965570156 0.58333333333333 18.998 > 17 69 F 0.16666666666667 0.12171632236822 0.41666666666667 18.998 > 21 70 F 0.66666666666667 0.12171632236822 0.41666666666667 18.998 > 21 71 F 0.16666666666667 0.62171632236822 0.41666666666667 18.998 > 21 72 F 0.66666666666667 0.62171632236822 0.41666666666667 18.998 > 21 73 Al 0.33333333333333 0.16666666666667 0.83333333333333 26.982 > 73 74 Al 0.83333333333333 0.16666666666667 0.83333333333333 26.982 > 73 75 Al 0.33333333333333 0.66666666666667 0.83333333333333 26.982 > 73 76 Al 0.83333333333333 0.66666666666667 0.83333333333333 26.982 > 73 77 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 77 78 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 77 79 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 77 80 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 77 81 Al 0.16666666666667 0.33333333333333 0.16666666666667 26.982 > 73 82 Al 0.66666666666667 0.33333333333333 0.16666666666667 26.982 > 73 83 Al 0.16666666666667 0.83333333333333 0.16666666666667 26.982 > 73 84 Al 0.66666666666667 0.83333333333333 0.16666666666667 26.982 > 73 85 Al 0.33333333333333 0.16666666666667 0.33333333333333 26.982 > 77 86 Al 0.83333333333333 0.16666666666667 0.33333333333333 26.982 > 77 87 Al 0.33333333333333 0.66666666666667 0.33333333333333 26.982 > 77 88 Al 0.83333333333333 0.66666666666667 0.33333333333333 26.982 > 77 89 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 73 90 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 73 91 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 73 92 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 73 93 Al 0.16666666666667 0.33333333333333 0.66666666666667 26.982 > 77 94 Al 0.66666666666667 0.33333333333333 0.66666666666667 26.982 > 77 95 Al 0.16666666666667 0.83333333333333 0.66666666666667 26.982 > 77 96 Al 0.66666666666667 0.83333333333333 0.66666666666667 26.982 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9781100 -0.0000000 0.0000000 -0.0000000 1.9781100 0.0000000 0.0000000 0.0000000 1.9816738 -------------------------- Born effective charges -------------------------- 1 F -1.1125765 0.2307121 -0.3520320 0.2307121 -0.8461732 0.2032458 -0.3524184 0.2034688 -0.9883080 2 F -0.7129715 0.0000000 0.0000000 0.0000000 -1.2457782 -0.4064916 0.0000000 -0.4069377 -0.9883080 3 F -1.1125765 -0.2307121 0.3520320 -0.2307121 -0.8461732 0.2032458 0.3524184 0.2034688 -0.9883080 4 F -0.7129715 0.0000000 0.0000000 0.0000000 -1.2457782 -0.4064916 0.0000000 -0.4069377 -0.9883080 5 F -1.1125765 0.2307121 -0.3520320 0.2307121 -0.8461732 0.2032458 -0.3524184 0.2034688 -0.9883080 6 F -1.1125765 -0.2307121 0.3520320 -0.2307121 -0.8461732 0.2032458 0.3524184 0.2034688 -0.9883080 7 Al 2.9381246 0.1218609 0.0000000 -0.1218609 2.9381246 0.0000000 0.0000000 0.0000000 2.9649240 8 Al 2.9381246 -0.1218609 0.0000000 0.1218609 2.9381246 0.0000000 0.0000000 0.0000000 2.9649240 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yxz) 0.00000002 (yxz) 0.00000002 (yzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000011 (yx) 0.00000011 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:32:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:32:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.472416063935599 1.427450080061970 4.169792363333328 b -2.472416063935595 1.427450080061970 4.169792363333328 c 0.000000000000003 -2.854900160123945 4.169792363333328 Atomic positions (fractional): 1 F 0.17323402193022 0.75000000000000 0.32676597806978 18.998 2 F 0.32676597806978 0.17323402193022 0.75000000000000 18.998 3 F 0.25000000000000 0.67323402193022 0.82676597806978 18.998 4 F 0.67323402193022 0.82676597806979 0.25000000000000 18.998 5 F 0.82676597806978 0.25000000000000 0.67323402193022 18.998 6 F 0.75000000000000 0.32676597806979 0.17323402193022 18.998 7 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 8 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.889664255742389 0.000000000000000 0.000000000000000 b -4.944832127871194 8.564700480371831 0.000000000000000 c 0.000000000000000 0.000000000000000 12.509377089999997 Atomic positions (fractional): 1 F 0.21161701096511 0.21161701096511 0.75000000000000 18.998 > 1 2 F 0.71161701096511 0.21161701096511 0.75000000000000 18.998 > 1 3 F 0.21161701096511 0.71161701096511 0.75000000000000 18.998 > 1 4 F 0.71161701096511 0.71161701096511 0.75000000000000 18.998 > 1 5 F 0.28838298903489 0.00000000000000 0.75000000000000 18.998 > 5 6 F 0.78838298903489 0.00000000000000 0.75000000000000 18.998 > 5 7 F 0.28838298903489 0.50000000000000 0.75000000000000 18.998 > 5 8 F 0.78838298903489 0.50000000000000 0.75000000000000 18.998 > 5 9 F 0.16666666666667 0.04495034429844 0.91666666666667 18.998 > 9 10 F 0.66666666666667 0.04495034429844 0.91666666666667 18.998 > 9 11 F 0.16666666666667 0.54495034429844 0.91666666666667 18.998 > 9 12 F 0.66666666666667 0.54495034429844 0.91666666666667 18.998 > 9 13 F 0.37828367763178 0.33333333333333 0.91666666666667 18.998 > 13 14 F 0.87828367763178 0.33333333333333 0.91666666666667 18.998 > 13 15 F 0.37828367763178 0.83333333333333 0.91666666666667 18.998 > 13 16 F 0.87828367763178 0.83333333333333 0.91666666666667 18.998 > 13 17 F 0.45504965570156 0.12171632236822 0.91666666666667 18.998 > 17 18 F 0.95504965570156 0.12171632236822 0.91666666666667 18.998 > 17 19 F 0.45504965570156 0.62171632236822 0.91666666666667 18.998 > 17 20 F 0.95504965570156 0.62171632236822 0.91666666666667 18.998 > 17 21 F 0.00000000000000 0.28838298903489 0.75000000000000 18.998 > 21 22 F 0.50000000000000 0.28838298903489 0.75000000000000 18.998 > 21 23 F 0.00000000000000 0.78838298903489 0.75000000000000 18.998 > 21 24 F 0.50000000000000 0.78838298903489 0.75000000000000 18.998 > 21 25 F 0.04495034429844 0.37828367763178 0.08333333333333 18.998 > 1 26 F 0.54495034429844 0.37828367763178 0.08333333333333 18.998 > 1 27 F 0.04495034429844 0.87828367763178 0.08333333333333 18.998 > 1 28 F 0.54495034429844 0.87828367763178 0.08333333333333 18.998 > 1 29 F 0.12171632236822 0.16666666666667 0.08333333333333 18.998 > 5 30 F 0.62171632236822 0.16666666666667 0.08333333333333 18.998 > 5 31 F 0.12171632236822 0.66666666666667 0.08333333333333 18.998 > 5 32 F 0.62171632236822 0.66666666666667 0.08333333333333 18.998 > 5 33 F 0.00000000000000 0.21161701096511 0.25000000000000 18.998 > 9 34 F 0.50000000000000 0.21161701096511 0.25000000000000 18.998 > 9 35 F 0.00000000000000 0.71161701096511 0.25000000000000 18.998 > 9 36 F 0.50000000000000 0.71161701096511 0.25000000000000 18.998 > 9 37 F 0.21161701096511 0.00000000000000 0.25000000000000 18.998 > 13 38 F 0.71161701096511 0.00000000000000 0.25000000000000 18.998 > 13 39 F 0.21161701096511 0.50000000000000 0.25000000000000 18.998 > 13 40 F 0.71161701096511 0.50000000000000 0.25000000000000 18.998 > 13 41 F 0.28838298903489 0.28838298903489 0.25000000000000 18.998 > 17 42 F 0.78838298903489 0.28838298903489 0.25000000000000 18.998 > 17 43 F 0.28838298903489 0.78838298903489 0.25000000000000 18.998 > 17 44 F 0.78838298903489 0.78838298903489 0.25000000000000 18.998 > 17 45 F 0.33333333333333 0.45504965570156 0.08333333333333 18.998 > 21 46 F 0.83333333333333 0.45504965570156 0.08333333333333 18.998 > 21 47 F 0.33333333333333 0.95504965570156 0.08333333333333 18.998 > 21 48 F 0.83333333333333 0.95504965570156 0.08333333333333 18.998 > 21 49 F 0.37828367763178 0.04495034429844 0.41666666666667 18.998 > 1 50 F 0.87828367763178 0.04495034429844 0.41666666666667 18.998 > 1 51 F 0.37828367763178 0.54495034429844 0.41666666666667 18.998 > 1 52 F 0.87828367763178 0.54495034429844 0.41666666666667 18.998 > 1 53 F 0.45504965570156 0.33333333333333 0.41666666666667 18.998 > 5 54 F 0.95504965570156 0.33333333333333 0.41666666666667 18.998 > 5 55 F 0.45504965570156 0.83333333333333 0.41666666666667 18.998 > 5 56 F 0.95504965570156 0.83333333333333 0.41666666666667 18.998 > 5 57 F 0.33333333333333 0.37828367763178 0.58333333333333 18.998 > 9 58 F 0.83333333333333 0.37828367763178 0.58333333333333 18.998 > 9 59 F 0.33333333333333 0.87828367763178 0.58333333333333 18.998 > 9 60 F 0.83333333333333 0.87828367763178 0.58333333333333 18.998 > 9 61 F 0.04495034429844 0.16666666666667 0.58333333333333 18.998 > 13 62 F 0.54495034429844 0.16666666666667 0.58333333333333 18.998 > 13 63 F 0.04495034429844 0.66666666666667 0.58333333333333 18.998 > 13 64 F 0.54495034429844 0.66666666666667 0.58333333333333 18.998 > 13 65 F 0.12171632236822 0.45504965570156 0.58333333333333 18.998 > 17 66 F 0.62171632236822 0.45504965570156 0.58333333333333 18.998 > 17 67 F 0.12171632236822 0.95504965570156 0.58333333333333 18.998 > 17 68 F 0.62171632236822 0.95504965570156 0.58333333333333 18.998 > 17 69 F 0.16666666666667 0.12171632236822 0.41666666666667 18.998 > 21 70 F 0.66666666666667 0.12171632236822 0.41666666666667 18.998 > 21 71 F 0.16666666666667 0.62171632236822 0.41666666666667 18.998 > 21 72 F 0.66666666666667 0.62171632236822 0.41666666666667 18.998 > 21 73 Al 0.33333333333333 0.16666666666667 0.83333333333333 26.982 > 73 74 Al 0.83333333333333 0.16666666666667 0.83333333333333 26.982 > 73 75 Al 0.33333333333333 0.66666666666667 0.83333333333333 26.982 > 73 76 Al 0.83333333333333 0.66666666666667 0.83333333333333 26.982 > 73 77 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 77 78 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 77 79 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 77 80 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 77 81 Al 0.16666666666667 0.33333333333333 0.16666666666667 26.982 > 73 82 Al 0.66666666666667 0.33333333333333 0.16666666666667 26.982 > 73 83 Al 0.16666666666667 0.83333333333333 0.16666666666667 26.982 > 73 84 Al 0.66666666666667 0.83333333333333 0.16666666666667 26.982 > 73 85 Al 0.33333333333333 0.16666666666667 0.33333333333333 26.982 > 77 86 Al 0.83333333333333 0.16666666666667 0.33333333333333 26.982 > 77 87 Al 0.33333333333333 0.66666666666667 0.33333333333333 26.982 > 77 88 Al 0.83333333333333 0.66666666666667 0.33333333333333 26.982 > 77 89 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 73 90 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 73 91 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 73 92 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 73 93 Al 0.16666666666667 0.33333333333333 0.66666666666667 26.982 > 77 94 Al 0.66666666666667 0.33333333333333 0.66666666666667 26.982 > 77 95 Al 0.16666666666667 0.83333333333333 0.66666666666667 26.982 > 77 96 Al 0.66666666666667 0.83333333333333 0.66666666666667 26.982 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.9781100 -0.0000000 0.0000000 -0.0000000 1.9781100 0.0000000 0.0000000 0.0000000 1.9816738 -------------------------- Born effective charges -------------------------- 1 F -1.1125765 0.2307121 -0.3520320 0.2307121 -0.8461732 0.2032458 -0.3524184 0.2034688 -0.9883080 2 F -0.7129715 0.0000000 0.0000000 0.0000000 -1.2457782 -0.4064916 0.0000000 -0.4069377 -0.9883080 3 F -1.1125765 -0.2307121 0.3520320 -0.2307121 -0.8461732 0.2032458 0.3524184 0.2034688 -0.9883080 4 F -0.7129715 0.0000000 0.0000000 0.0000000 -1.2457782 -0.4064916 0.0000000 -0.4069377 -0.9883080 5 F -1.1125765 0.2307121 -0.3520320 0.2307121 -0.8461732 0.2032458 -0.3524184 0.2034688 -0.9883080 6 F -1.1125765 -0.2307121 0.3520320 -0.2307121 -0.8461732 0.2032458 0.3524184 0.2034688 -0.9883080 7 Al 2.9381246 0.1218609 0.0000000 -0.1218609 2.9381246 0.0000000 0.0000000 0.0000000 2.9649240 8 Al 2.9381246 -0.1218609 0.0000000 0.1218609 2.9381246 0.0000000 0.0000000 0.0000000 2.9649240 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yxz) 0.00000002 (yxz) 0.00000002 (yzx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] 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: 0.93, Number of G-points: 307, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 9.615 ( 0.000 0.000 0.000) 0.000 9.923 ( 0.000 0.000 0.000) 0.000 9.923 ( 0.000 0.000 0.000) 0.000 10.483 ( 0.000 0.000 0.000) 0.000 10.856 ( 0.000 0.000 0.000) 0.000 10.856 ( 0.000 0.000 0.000) 0.000 14.284 ( 0.000 0.000 0.000) 0.000 14.284 ( 0.000 0.000 0.000) 0.000 16.076 ( 0.000 0.000 0.000) 0.000 16.076 ( 0.000 0.000 0.000) 0.000 16.257 ( 0.000 0.000 0.000) 0.000 19.256 ( 0.000 0.000 0.000) 0.000 19.433 ( 0.000 0.000 0.000) 0.000 19.433 ( 0.000 0.000 0.000) 0.000 20.799 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= 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 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 44.252 25.549 2.792) 51.174 1.070 ( 38.534 22.248 26.518) 51.798 1.206 ( 44.250 25.548 25.930) 57.298 3.060 ( 10.975 6.336 5.922) 13.988 3.080 ( 12.235 7.064 7.893) 16.183 4.960 ( 11.225 6.481 3.922) 13.542 6.760 ( -3.033 -1.751 -1.173) 3.694 6.882 ( 5.019 2.898 3.554) 6.799 7.587 ( 3.315 1.914 -1.582) 4.142 9.710 ( 3.838 2.216 5.953) 7.422 9.899 ( -3.249 -1.876 3.551) 5.165 10.458 ( -1.893 -1.093 -1.929) 2.915 10.799 ( -5.455 -3.149 1.444) 6.462 10.862 ( 0.587 0.339 0.953) 1.170 12.364 ( 3.148 1.817 -2.661) 4.504 14.223 ( -6.254 -3.611 2.483) 7.637 14.271 ( -0.520 -0.300 -2.531) 2.601 15.967 ( -9.490 -5.479 -1.640) 11.080 16.281 ( 3.043 1.757 -1.181) 3.707 16.346 ( 4.979 2.874 -8.431) 10.205 19.222 ( -6.707 -3.872 6.457) 10.083 19.376 ( -3.564 -2.058 -5.059) 6.522 20.888 ( 6.733 3.887 2.992) 8.330 23.746 ( -4.124 -2.381 -0.499) 4.788 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 36.116 20.851 9.780) 42.834 2.054 ( 34.172 19.729 21.255) 44.819 2.300 ( 40.033 23.113 16.285) 49.011 3.462 ( 18.963 10.948 11.604) 24.782 3.542 ( 22.086 12.751 11.591) 28.013 5.367 ( 20.797 12.007 9.564) 25.849 6.638 ( -6.719 -3.879 -2.649) 8.198 7.076 ( 8.985 5.188 6.817) 12.415 7.680 ( 6.263 3.616 -3.235) 7.922 9.821 ( -6.567 -3.792 5.943) 9.634 9.895 ( 11.099 6.408 -1.903) 12.957 10.358 ( -4.753 -2.744 -6.838) 8.768 10.639 ( -9.563 -5.521 3.029) 11.450 10.919 ( 2.786 1.609 6.726) 7.455 12.442 ( 5.845 3.374 -4.415) 8.065 14.034 ( -13.251 -7.650 6.534) 16.637 14.219 ( -1.437 -0.829 -7.586) 7.765 15.644 ( -16.140 -9.318 -6.298) 19.672 16.388 ( 6.759 3.902 0.460) 7.818 16.435 ( 6.298 3.636 -2.121) 7.575 19.063 ( -10.759 -6.212 4.945) 13.372 19.208 ( -6.907 -3.988 -9.927) 12.734 21.122 ( 11.273 6.508 4.851) 13.891 23.607 ( -7.426 -4.287 -2.173) 8.845 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 26.052 15.041 16.558) 34.339 2.861 ( 26.985 15.580 13.467) 33.945 3.211 ( 34.346 19.830 6.354) 40.165 4.026 ( 21.967 12.683 15.425) 29.687 4.163 ( 25.508 14.727 8.973) 30.790 6.005 ( 27.417 15.829 17.411) 36.131 6.423 ( -10.273 -5.931 -4.187) 12.580 7.368 ( 12.373 7.143 8.154) 16.450 7.818 ( 8.320 4.804 -4.627) 10.664 9.674 ( -10.539 -6.085 6.649) 13.867 10.096 ( 3.170 1.830 -6.181) 7.183 10.146 ( -7.858 -4.537 -14.102) 16.769 10.504 ( 1.839 1.062 3.016) 3.688 11.099 ( 6.498 3.752 17.094) 18.668 12.563 ( 8.190 4.729 -7.241) 11.911 13.713 ( -20.637 -11.915 11.261) 26.356 14.094 ( -3.134 -1.810 -15.015) 15.445 15.189 ( -19.641 -11.340 -7.540) 23.900 16.591 ( 11.302 6.525 -0.558) 13.062 16.609 ( 8.473 4.892 5.203) 11.081 18.809 ( -14.734 -8.507 5.110) 17.765 18.937 ( -9.847 -5.685 -14.383) 18.334 21.438 ( 13.396 7.734 5.543) 16.432 23.390 ( -10.056 -5.806 -3.338) 12.082 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( 17.294 9.985 18.477) 27.206 3.444 ( 19.134 11.047 6.535) 23.040 3.931 ( 27.906 16.111 0.542) 32.227 4.582 ( 17.061 9.850 13.866) 24.091 4.748 ( 21.597 12.469 4.834) 25.402 6.129 ( -12.778 -7.377 -5.424) 15.720 6.792 ( 29.496 17.029 22.972) 41.081 7.739 ( 15.797 9.120 8.125) 19.969 7.994 ( 10.086 5.823 -4.613) 12.527 9.430 ( -15.015 -8.669 6.269) 18.436 9.820 ( -10.388 -5.998 -21.574) 24.684 9.876 ( -15.604 -9.009 -0.512) 18.025 10.845 ( 24.485 14.136 -6.289) 28.964 11.441 ( 10.266 5.927 28.046) 30.448 12.695 ( 8.796 5.079 -13.260) 16.703 13.260 ( -27.175 -15.690 14.576) 34.599 13.886 ( -4.223 -2.438 -19.750) 20.343 14.688 ( -20.532 -11.854 -5.551) 24.350 16.886 ( 15.772 9.106 -2.758) 18.419 16.889 ( 10.947 6.320 13.037) 18.159 18.475 ( -17.935 -10.355 5.528) 21.435 18.580 ( -12.177 -7.031 -18.086) 22.909 21.785 ( 13.987 8.075 5.578) 17.087 23.117 ( -11.845 -6.839 -4.161) 14.297 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.789 ( 8.181 4.723 14.491) 17.298 3.808 ( 10.977 6.338 0.470) 12.684 4.481 ( 21.638 12.493 -2.294) 25.091 4.907 ( 4.104 2.370 8.339) 9.591 5.185 ( 14.648 8.457 4.534) 17.511 5.796 ( -12.865 -7.427 -6.072) 16.048 7.578 ( 25.966 14.992 20.650) 36.406 8.183 ( 18.545 10.707 8.707) 23.116 8.189 ( 8.144 4.702 -3.862) 10.166 9.090 ( -17.956 -10.367 3.825) 21.083 9.420 ( -9.649 -5.571 -25.412) 27.747 9.498 ( -17.455 -10.077 2.929) 20.367 11.419 ( 30.925 17.855 -11.028) 37.373 11.910 ( 11.857 6.846 35.477) 38.027 12.697 ( -31.689 -18.295 16.072) 39.965 12.709 ( 2.258 1.304 -27.487) 27.610 13.723 ( 1.889 1.091 -12.810) 12.994 14.216 ( -18.722 -10.809 -1.948) 21.706 17.254 ( 19.005 10.972 -4.622) 22.426 17.267 ( 12.992 7.501 18.670) 23.950 18.085 ( -19.944 -11.514 5.772) 23.741 18.158 ( -13.643 -7.877 -20.516) 25.867 22.135 ( 13.883 8.015 5.367) 16.905 22.808 ( -12.909 -7.453 -4.710) 15.633 ======================= Grid point 6 (7/189) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.933 ( 1.736 1.002 -6.731) 7.024 3.933 ( -1.736 -1.002 6.731) 7.024 4.853 ( -12.072 -6.970 4.013) 14.506 4.853 ( 12.072 6.970 -4.013) 14.506 5.493 ( -10.841 -6.259 -5.733) 13.768 5.493 ( 10.841 6.259 5.733) 13.768 8.140 ( -11.916 -6.880 -10.122) 17.081 8.140 ( 11.916 6.880 10.122) 17.081 8.668 ( -18.893 -10.908 -7.313) 23.008 8.668 ( 18.893 10.908 7.313) 23.008 9.227 ( 7.386 4.264 -12.102) 14.805 9.227 ( -7.386 -4.264 12.102) 14.805 12.058 ( -31.941 -18.441 12.336) 38.890 12.058 ( 31.941 18.441 -12.336) 38.890 12.406 ( -7.259 -4.191 -39.765) 40.638 12.406 ( 7.259 4.191 39.765) 40.638 13.850 ( -13.085 -7.555 2.724) 15.353 13.850 ( 13.085 7.555 -2.724) 15.353 17.665 ( -19.603 -11.318 6.639) 23.589 17.665 ( 19.603 11.318 -6.639) 23.589 17.707 ( -13.165 -7.601 -19.944) 25.077 17.707 ( 13.165 7.601 19.944) 25.077 22.478 ( -13.514 -7.802 -5.081) 16.411 22.478 ( 13.514 7.802 5.081) 16.411 ======================= Grid point 14 (8/189) ======================= 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 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -0.000 35.390 16.956) 39.242 0.937 ( -0.000 27.828 28.379) 39.746 1.739 ( -0.000 50.842 42.166) 66.052 3.131 ( -0.000 12.663 12.332) 17.676 3.152 ( -0.000 13.602 14.247) 19.697 5.013 ( -0.000 14.960 9.207) 17.566 6.826 ( -0.000 -0.746 5.413) 5.464 6.842 ( -0.000 3.630 -0.175) 3.635 7.571 ( 0.000 3.885 -3.129) 4.988 9.687 ( -0.000 -6.885 5.923) 9.082 9.863 ( 0.000 -6.516 0.166) 6.518 10.444 ( 0.000 -2.030 -3.242) 3.825 10.742 ( 0.000 -9.475 -2.362) 9.765 10.839 ( 0.000 -0.163 -1.710) 1.718 12.522 ( -0.000 13.892 7.882) 15.973 14.088 ( 0.000 -17.403 -11.446) 20.830 14.288 ( -0.000 -0.085 0.616) 0.622 15.978 ( 0.000 -6.090 0.447) 6.107 16.279 ( 0.000 5.888 -1.790) 6.154 16.329 ( 0.000 10.972 -5.919) 12.466 19.312 ( -0.000 -4.186 5.539) 6.942 19.421 ( 0.000 -0.811 -0.513) 0.959 20.904 ( -0.000 5.876 4.634) 7.484 23.654 ( 0.000 -10.999 -6.173) 12.613 ======================= Grid point 15 (9/189) ======================= q-point: ( 0.17 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 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 30.311 30.828 7.860) 43.942 1.722 ( 33.013 18.394 26.931) 46.406 2.509 ( 9.141 37.489 31.701) 49.940 3.451 ( 9.130 16.434 17.225) 25.498 3.511 ( 10.636 18.690 16.608) 27.172 5.362 ( 9.253 22.474 15.995) 29.096 6.735 ( -8.305 -0.542 1.341) 8.430 7.016 ( 8.812 3.683 6.489) 11.547 7.623 ( 3.430 6.266 -4.637) 8.516 9.698 ( 5.398 -6.985 1.128) 8.899 9.834 ( 4.414 -5.984 -2.375) 7.806 10.353 ( -3.863 -3.690 -7.442) 9.161 10.721 ( 9.474 -10.847 -2.121) 14.557 10.777 ( -4.180 -2.207 1.245) 4.888 12.637 ( -10.338 18.854 9.750) 23.609 13.826 ( 8.613 -30.269 -20.628) 37.628 14.248 ( -5.172 -0.183 1.912) 5.517 15.851 ( -13.758 0.844 3.557) 14.236 16.359 ( 2.326 6.665 -0.528) 7.079 16.441 ( 3.215 10.953 0.960) 11.455 19.223 ( -10.731 -7.027 9.419) 15.914 19.299 ( -8.932 2.817 -8.140) 12.409 21.055 ( 7.138 5.785 4.553) 10.254 23.506 ( 2.679 -14.920 -9.463) 17.870 ======================= Grid point 16 (10/189) ======================= q-point: ( 0.25 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 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 32.731 22.534 7.899) 40.516 2.601 ( 31.627 14.713 18.903) 39.674 3.197 ( 14.206 27.814 22.435) 38.455 3.954 ( 15.829 16.090 19.848) 30.057 4.044 ( 16.648 20.291 13.237) 29.395 5.938 ( 16.409 23.192 20.589) 35.086 6.557 ( -11.767 -1.005 -0.459) 11.819 7.278 ( 11.286 3.625 9.965) 15.486 7.747 ( 5.946 10.025 -5.778) 13.009 9.652 ( 0.641 -18.574 5.059) 19.261 9.898 ( 10.126 0.663 -11.974) 15.696 10.147 ( -6.782 -4.072 -13.450) 15.604 10.624 ( -9.091 2.332 -1.992) 9.594 10.892 ( 19.877 -14.408 7.645) 25.712 12.674 ( -8.162 9.639 1.858) 12.766 13.543 ( 8.437 -26.091 -18.919) 33.315 14.137 ( -10.315 -0.193 3.876) 11.021 15.585 ( -25.340 7.397 4.362) 26.756 16.476 ( 5.240 4.547 0.877) 6.993 16.673 ( 5.695 15.021 7.876) 17.891 18.946 ( -16.274 -9.878 4.003) 19.454 19.104 ( -12.336 2.816 -7.075) 14.497 21.302 ( 12.724 4.380 3.294) 13.854 23.313 ( 0.732 -16.802 -10.991) 20.091 ======================= Grid point 17 (11/189) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 25.610 15.146 12.826) 32.401 3.288 ( 22.358 13.066 10.164) 27.819 3.822 ( 13.742 24.260 15.518) 31.909 4.506 ( 17.199 12.466 15.713) 26.422 4.610 ( 17.482 18.885 11.334) 28.120 6.243 ( -10.880 -6.442 -1.079) 12.690 6.662 ( 18.712 19.919 16.717) 32.037 7.601 ( 14.177 2.757 14.366) 20.371 7.944 ( 7.379 15.390 -5.823) 18.034 9.444 ( -4.266 -23.084 3.699) 23.765 9.761 ( -8.070 -9.535 -21.199) 24.605 10.019 ( -2.517 0.313 -6.797) 7.255 10.574 ( 5.851 7.009 -7.328) 11.707 11.219 ( 27.358 -13.875 10.718) 32.494 12.493 ( 3.413 -26.293 -20.686) 33.629 13.451 ( -4.099 11.771 2.345) 12.683 13.940 ( -16.218 -0.875 6.467) 17.482 15.212 ( -32.243 10.942 3.753) 34.255 16.649 ( 11.035 1.735 1.936) 11.337 17.019 ( 6.597 19.804 12.998) 24.590 18.561 ( -17.043 -12.524 -1.637) 21.213 18.834 ( -17.461 1.971 -5.245) 18.338 21.600 ( 16.379 2.552 1.678) 16.662 23.062 ( -1.507 -17.547 -11.675) 21.130 ======================= Grid point 18 (12/189) ======================= q-point: ( 0.42 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 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( 11.031 11.518 6.442) 17.200 3.825 ( 13.888 10.600 14.347) 22.607 4.312 ( 12.112 17.488 6.085) 22.126 4.931 ( 8.284 7.591 13.113) 17.268 5.115 ( 12.895 16.803 8.797) 22.935 5.932 ( -14.591 -5.812 -3.842) 16.169 7.269 ( 27.458 5.174 7.054) 28.818 8.004 ( 14.443 4.015 18.127) 23.523 8.202 ( 8.466 15.552 -3.125) 17.981 9.139 ( -6.798 -23.119 3.747) 24.387 9.336 ( -10.319 -8.600 -26.669) 29.861 9.812 ( -17.607 0.615 -0.270) 17.620 10.870 ( 27.579 5.056 -13.279) 31.024 11.648 ( 32.276 -18.048 5.826) 37.435 12.084 ( 9.789 -40.108 -26.934) 49.294 13.437 ( -30.070 17.213 7.157) 35.380 13.829 ( -6.535 18.647 17.166) 26.174 14.776 ( -34.815 11.398 3.535) 36.803 16.914 ( 17.916 0.022 1.774) 18.004 17.440 ( 6.669 22.957 16.375) 28.977 18.118 ( -16.718 -14.414 -5.423) 22.731 18.489 ( -21.592 1.330 -4.012) 22.002 21.919 ( 18.563 0.885 0.261) 18.586 22.772 ( -3.243 -17.473 -11.798) 21.331 ======================= Grid point 19 (13/189) ======================= q-point: ( 0.50 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 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( -0.414 8.911 -0.421) 8.931 4.085 ( -3.773 6.756 12.127) 14.386 4.681 ( 14.328 8.210 -0.582) 16.524 5.038 ( -9.607 -1.844 11.969) 15.458 5.471 ( 6.520 11.693 3.901) 13.945 5.640 ( -12.534 0.505 -1.227) 12.604 7.783 ( 29.874 -3.610 -0.973) 30.107 8.085 ( -4.884 -13.698 -11.449) 18.508 8.559 ( 10.700 4.263 8.673) 14.418 8.793 ( -9.530 -12.958 1.344) 16.141 9.139 ( 4.844 10.576 -10.165) 15.448 9.507 ( -18.603 1.696 4.633) 19.246 11.341 ( 34.703 -5.500 -21.694) 41.294 11.556 ( 16.199 -42.797 -22.416) 50.956 12.207 ( 29.995 -7.769 5.415) 31.455 12.972 ( -38.477 5.198 4.969) 39.143 14.171 ( -7.345 39.004 24.320) 46.548 14.327 ( -32.687 8.861 4.709) 34.192 17.270 ( 22.960 -0.353 0.827) 22.978 17.660 ( -15.458 -14.455 -6.949) 22.275 17.894 ( 6.135 23.896 17.756) 30.396 18.088 ( -24.156 0.807 -2.820) 24.334 22.243 ( 19.750 -0.352 -0.744) 19.767 22.461 ( -4.658 -16.639 -11.385) 20.692 ======================= Grid point 20 (14/189) ======================= q-point: (-0.42 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 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( -12.551 3.604 -8.581) 15.625 4.020 ( -14.552 1.459 5.294) 15.554 4.754 ( -17.980 -9.631 5.504) 21.127 4.897 ( 0.025 0.292 -0.329) 0.441 5.358 ( -14.216 -1.596 -5.046) 15.169 5.761 ( 5.668 11.036 8.573) 15.080 7.584 ( -15.498 -19.922 -23.912) 34.769 8.068 ( 4.048 -14.213 -4.652) 15.493 8.402 ( 2.277 -7.049 -3.062) 8.016 8.887 ( -2.235 3.314 4.315) 5.882 9.354 ( 11.313 13.366 -0.309) 17.513 9.518 ( 6.280 9.481 14.762) 18.635 11.064 ( 11.035 -41.831 -28.463) 51.785 11.959 ( 39.172 -3.426 -7.890) 40.105 12.329 ( -39.032 7.087 -3.390) 39.815 12.708 ( 26.633 -7.103 6.054) 28.221 13.934 ( -24.454 3.686 6.546) 25.582 14.598 ( -8.079 40.229 23.813) 47.442 17.235 ( -13.464 -11.679 -6.257) 18.890 17.657 ( -22.494 0.299 -1.953) 22.581 17.686 ( 22.597 -0.181 0.420) 22.601 18.340 ( 5.245 22.880 17.605) 29.342 22.143 ( -6.158 -15.021 -10.397) 19.278 22.566 ( 20.119 -1.121 -1.335) 20.194 ======================= Grid point 21 (15/189) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( -20.933 -3.968 -14.444) 25.740 3.710 ( -22.759 -3.438 -0.729) 23.029 4.295 ( -27.013 -11.363 4.596) 29.664 4.708 ( -15.840 -7.019 -7.503) 18.880 4.991 ( -20.664 -6.914 -3.870) 22.131 6.049 ( 10.076 8.573 7.663) 15.289 6.933 ( -22.710 -12.582 -24.114) 35.434 7.767 ( -9.103 -17.695 -3.797) 20.258 8.298 ( -18.312 4.379 4.138) 19.278 9.035 ( 22.885 -5.498 -6.872) 24.519 9.741 ( 15.021 12.636 2.918) 19.845 9.840 ( 9.253 5.837 13.073) 17.047 10.705 ( 6.796 -28.746 -19.107) 35.180 11.696 ( -36.260 2.387 -3.667) 36.523 12.498 ( 32.228 -8.878 0.803) 33.438 13.088 ( 12.811 14.563 -9.579) 21.633 13.725 ( -0.421 -11.046 11.372) 15.859 14.972 ( -5.827 32.300 17.062) 36.991 16.907 ( -11.646 -6.376 -1.450) 13.356 17.236 ( -23.433 0.060 -1.686) 23.493 18.109 ( 24.516 0.335 -0.146) 24.519 18.740 ( 4.009 19.994 15.629) 25.693 21.825 ( -8.009 -12.515 -8.757) 17.247 22.878 ( 19.562 -1.521 -1.614) 19.688 ======================= Grid point 22 (16/189) ======================= q-point: (-0.25 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 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( -27.002 -12.573 -17.024) 34.308 3.191 ( -29.810 -6.495 -5.321) 30.970 3.688 ( -35.478 -10.120 2.530) 36.979 4.208 ( -23.074 -10.645 -9.888) 27.267 4.477 ( -28.587 -7.508 -4.545) 29.903 6.238 ( -19.541 -7.774 -7.100) 22.197 6.380 ( 1.557 7.607 -2.433) 8.137 7.430 ( -10.555 -11.558 -4.206) 16.207 8.043 ( -17.094 2.079 3.761) 17.626 9.322 ( 22.323 -7.103 -7.820) 24.697 10.055 ( 7.106 0.162 1.686) 7.305 10.107 ( 11.585 4.261 8.342) 14.898 10.508 ( 2.145 -5.565 -9.149) 10.921 11.155 ( -23.369 -2.226 -4.514) 23.904 12.750 ( 0.329 -5.772 10.381) 11.882 13.379 ( 16.605 22.703 -20.610) 34.870 13.856 ( 19.759 -19.790 12.862) 30.781 15.266 ( 1.630 19.131 8.514) 21.003 16.696 ( -10.789 -1.076 4.184) 11.622 16.861 ( -19.463 0.361 -1.844) 19.554 18.504 ( 21.716 0.700 -0.566) 21.735 19.064 ( 2.738 15.350 12.152) 19.768 21.516 ( -10.040 -9.027 -6.403) 14.943 23.169 ( 17.822 -1.633 -1.638) 17.972 ======================= Grid point 23 (17/189) ======================= q-point: (-0.17 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 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -33.795 -17.308 -15.517) 41.017 2.537 ( -36.735 -4.816 -5.337) 37.432 2.933 ( -45.696 -6.514 0.455) 46.160 3.676 ( -22.516 -6.616 -5.645) 24.138 3.859 ( -31.654 -4.926 -5.239) 32.461 5.662 ( -27.836 -4.128 -5.339) 28.643 6.589 ( 7.338 4.420 3.027) 9.085 7.143 ( -9.968 -5.508 -4.009) 12.073 7.827 ( -11.812 -0.257 1.968) 11.977 9.531 ( 16.113 -6.766 -5.843) 18.427 10.035 ( -5.827 -3.790 0.535) 6.972 10.335 ( 6.083 1.867 4.406) 7.740 10.571 ( 5.857 10.405 -4.928) 12.917 10.843 ( -5.194 -7.778 -1.721) 9.510 12.663 ( -11.172 1.206 5.829) 12.659 13.770 ( 20.025 11.292 -10.692) 25.353 14.061 ( 14.120 -12.072 6.679) 19.741 15.535 ( 10.739 7.084 3.181) 13.253 16.532 ( -12.192 -1.159 3.180) 12.653 16.598 ( -11.404 2.421 0.474) 11.668 18.837 ( 17.252 0.786 -0.686) 17.283 19.285 ( 1.831 8.738 7.051) 11.376 21.233 ( -11.415 -4.669 -3.380) 12.788 23.420 ( 14.674 -1.298 -1.263) 14.785 ======================= Grid point 24 (18/189) ======================= 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 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -39.218 0.000 0.000) 39.218 1.792 ( -46.248 0.000 0.000) 46.248 2.042 ( -55.290 0.000 0.000) 55.290 3.273 ( -18.777 0.000 0.000) 18.777 3.327 ( -24.403 0.000 0.000) 24.403 5.199 ( -21.718 0.000 0.000) 21.718 6.723 ( 4.575 -0.000 -0.000) 4.575 6.950 ( -7.638 0.000 0.000) 7.638 7.670 ( -7.173 0.000 0.000) 7.173 9.666 ( 6.036 -0.000 -0.000) 6.036 9.895 ( -6.034 0.000 0.000) 6.034 10.429 ( 3.123 -0.000 -0.000) 3.123 10.739 ( 6.406 -0.000 -0.000) 6.406 10.778 ( 3.076 -0.000 -0.000) 3.076 12.514 ( -9.563 0.000 0.000) 9.563 14.079 ( 13.306 -0.000 -0.000) 13.306 14.192 ( 6.667 -0.000 -0.000) 6.667 15.794 ( 13.731 -0.000 -0.000) 13.731 16.361 ( -7.388 0.000 0.000) 7.388 16.467 ( -7.181 0.000 0.000) 7.181 19.082 ( 11.390 -0.000 -0.000) 11.390 19.382 ( 1.729 -0.000 -0.000) 1.729 21.009 ( -10.713 0.000 0.000) 10.713 23.619 ( 10.180 -0.000 -0.000) 10.180 ======================= Grid point 27 (19/189) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -0.000 31.675 16.473) 35.703 1.818 ( -0.000 24.007 27.314) 36.365 2.911 ( -0.000 24.310 19.352) 31.072 3.703 ( -0.000 23.809 20.917) 31.692 3.758 ( -0.000 22.564 21.461) 31.141 5.686 ( -0.000 29.983 23.789) 38.274 6.908 ( -0.000 -1.971 10.809) 10.987 6.950 ( -0.000 7.863 -0.046) 7.863 7.625 ( 0.000 8.037 -6.164) 10.129 9.586 ( 0.000 -4.901 -4.562) 6.696 9.662 ( 0.000 -14.110 -0.625) 14.124 10.306 ( 0.000 -4.317 -8.454) 9.492 10.455 ( 0.000 -15.379 -3.258) 15.720 10.823 ( 0.000 0.663 -1.106) 1.290 13.080 ( -0.000 26.089 17.774) 31.568 13.143 ( 0.000 -47.376 -33.634) 58.101 14.297 ( -0.000 -0.067 1.056) 1.058 16.106 ( -0.000 10.000 15.031) 18.053 16.428 ( -0.000 10.263 -0.574) 10.279 16.512 ( -0.000 10.985 0.573) 11.000 19.299 ( -0.000 -2.378 2.044) 3.135 19.391 ( 0.000 -1.329 -0.791) 1.546 21.063 ( -0.000 3.266 2.844) 4.331 23.206 ( 0.000 -21.145 -14.204) 25.473 ======================= Grid point 28 (20/189) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 18.646 25.752 11.462) 33.796 2.453 ( 22.311 18.936 25.798) 39.011 3.304 ( 13.635 16.803 10.909) 24.234 4.132 ( 3.412 25.559 22.324) 34.106 4.192 ( 6.200 24.667 20.816) 32.866 6.183 ( 3.188 26.160 26.626) 37.463 6.796 ( -12.460 4.631 4.289) 13.967 7.192 ( 10.623 3.968 8.703) 14.295 7.714 ( 5.133 11.505 -7.409) 14.615 9.463 ( 0.494 -18.951 1.010) 18.984 9.625 ( 9.809 -5.193 -12.734) 16.892 10.112 ( -5.996 -6.857 -12.863) 15.762 10.425 ( 14.560 -15.843 -1.364) 21.560 10.779 ( -5.375 0.806 0.154) 5.437 12.400 ( 1.792 -52.049 -37.394) 64.114 13.496 ( -0.529 29.533 20.109) 35.733 14.278 ( -3.491 0.431 2.008) 4.050 16.142 ( -20.579 12.953 14.073) 28.095 16.511 ( -0.566 8.715 0.178) 8.736 16.759 ( 9.473 16.124 7.977) 20.331 19.200 ( -14.253 -7.613 8.624) 18.316 19.252 ( -8.592 3.890 -8.912) 12.976 21.156 ( 7.922 -0.049 0.287) 7.927 22.932 ( 6.461 -25.510 -17.462) 31.582 ======================= Grid point 29 (21/189) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 25.148 15.859 6.894) 30.520 3.168 ( 22.982 15.345 19.964) 34.091 3.880 ( 23.414 19.384 12.100) 32.716 4.558 ( 3.795 21.525 16.461) 27.362 4.702 ( 9.352 24.238 19.918) 32.736 6.394 ( -11.193 -3.432 10.608) 15.798 6.831 ( -1.897 22.960 9.549) 24.939 7.500 ( 13.775 2.049 17.062) 22.024 7.924 ( 8.594 16.878 -7.938) 20.536 9.249 ( -0.667 -26.650 1.591) 26.706 9.590 ( 1.715 -9.392 -20.571) 22.679 9.898 ( 2.034 -1.811 -15.861) 16.094 10.583 ( 19.216 -10.276 -6.357) 22.699 10.685 ( -1.678 -6.718 6.376) 9.412 11.720 ( 9.942 -54.098 -38.419) 67.093 13.929 ( -5.251 38.927 24.880) 46.496 14.209 ( -8.586 1.100 4.620) 9.812 15.907 ( -30.137 13.415 8.381) 34.036 16.589 ( 1.610 4.531 2.412) 5.380 17.188 ( 9.262 21.961 14.917) 28.117 18.825 ( -23.503 -6.570 1.665) 24.461 19.070 ( -12.211 1.285 -4.471) 13.067 21.326 ( 14.750 -3.265 -2.386) 15.295 22.678 ( 8.090 -27.414 -18.865) 34.247 ======================= Grid point 30 (22/189) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.574 ( 24.354 8.557 4.483) 26.200 3.765 ( 16.694 14.131 14.392) 26.182 4.493 ( 8.136 22.317 15.337) 28.275 4.924 ( 10.808 14.687 9.886) 20.742 5.207 ( 8.295 21.956 15.643) 28.206 6.127 ( -16.308 -6.439 3.772) 17.934 7.055 ( 5.310 7.640 2.012) 9.519 7.926 ( 15.009 1.427 21.651) 26.383 8.165 ( 7.644 12.230 -8.229) 16.605 8.987 ( -0.144 -22.604 2.781) 22.775 9.232 ( -8.762 -11.133 -25.687) 29.335 9.905 ( 5.685 -1.277 -11.364) 12.771 10.582 ( 0.806 5.725 -11.074) 12.492 10.833 ( 26.889 -36.422 -6.597) 45.750 11.269 ( 21.004 -35.634 -22.169) 46.930 14.021 ( -19.958 4.859 4.261) 20.979 14.425 ( -6.857 42.064 30.675) 52.511 15.525 ( -35.188 13.003 5.329) 37.890 16.709 ( 8.069 1.115 2.556) 8.537 17.674 ( 7.638 25.008 18.362) 31.951 18.342 ( -24.654 -7.762 -1.804) 25.909 18.803 ( -17.283 0.549 -3.283) 17.601 21.552 ( 19.817 -5.760 -4.501) 21.123 22.417 ( 7.296 -27.065 -18.724) 33.709 ======================= Grid point 31 (23/189) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.007 ( 12.055 8.934 2.038) 15.142 4.193 ( 10.258 9.246 11.932) 18.251 4.709 ( -7.658 13.177 5.504) 16.205 5.280 ( -1.382 7.010 17.813) 19.192 5.538 ( 1.305 13.944 0.175) 14.006 5.887 ( -9.976 5.308 6.971) 13.277 7.259 ( 20.193 -5.287 -2.858) 21.068 7.903 ( -4.660 -21.710 -14.824) 26.698 8.460 ( 8.850 -0.826 4.825) 10.114 8.770 ( -1.974 -12.460 1.759) 12.738 9.095 ( 8.352 12.899 -5.441) 16.302 9.812 ( -10.039 0.061 -2.753) 10.410 10.517 ( 16.531 -33.211 -33.582) 50.040 10.826 ( 23.578 -10.760 -5.647) 26.525 11.514 ( 36.059 -15.341 -2.673) 39.278 13.654 ( -31.942 3.662 4.522) 32.468 14.888 ( -13.064 35.328 24.587) 44.981 15.089 ( -33.531 19.078 10.046) 39.865 16.933 ( 16.560 -0.387 1.543) 16.636 17.845 ( -22.670 -7.549 -2.963) 24.077 18.162 ( 5.828 25.422 19.069) 32.309 18.460 ( -21.300 0.160 -2.364) 21.432 21.818 ( 23.166 -7.141 -5.647) 24.891 22.153 ( 5.817 -24.818 -17.285) 30.798 ======================= Grid point 32 (24/189) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.119 ( -9.821 9.103 -2.536) 13.629 4.354 ( -12.022 5.980 8.581) 15.935 4.734 ( 5.344 0.310 -3.907) 6.627 5.131 ( -19.546 -9.569 16.463) 27.288 5.536 ( -10.957 6.462 -9.631) 15.955 5.975 ( -5.580 15.241 13.290) 20.977 7.445 ( -6.646 -18.989 -19.550) 28.052 7.615 ( 27.666 -8.492 -4.309) 29.259 8.188 ( -4.736 -19.282 -11.172) 22.782 9.055 ( 8.411 5.318 18.901) 21.360 9.337 ( 3.589 13.696 -8.471) 16.499 9.642 ( -6.296 3.421 7.184) 10.147 10.253 ( 17.347 -32.700 -26.499) 45.524 11.236 ( 35.205 -3.695 -6.960) 36.076 12.010 ( 39.019 -10.629 -2.420) 40.513 13.090 ( -40.710 2.534 2.980) 40.898 14.548 ( -34.186 6.885 4.134) 35.117 15.326 ( -13.368 36.412 24.111) 45.671 17.267 ( 21.081 0.008 -0.170) 21.081 17.425 ( -17.313 -4.127 0.203) 17.799 18.062 ( -23.994 -0.036 -1.666) 24.052 18.609 ( 4.191 23.092 17.497) 29.274 21.906 ( 3.811 -20.601 -14.458) 25.454 22.117 ( 24.854 -7.136 -5.611) 26.460 ======================= Grid point 33 (25/189) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.822 ( -25.336 1.801 -8.539) 26.797 4.110 ( -23.757 1.918 2.377) 23.953 4.598 ( -16.412 -10.658 0.506) 19.576 4.896 ( -13.477 -4.027 7.952) 16.158 5.205 ( -16.590 -3.235 -11.665) 20.536 6.120 ( -1.386 10.345 12.296) 16.129 7.018 ( -15.260 -4.647 -18.985) 24.797 7.686 ( -2.967 -15.638 -2.856) 16.171 8.230 ( 28.892 -7.108 -3.584) 29.968 8.961 ( -22.268 1.088 1.549) 22.348 9.601 ( 16.315 9.475 -0.585) 18.876 9.771 ( 9.154 -3.591 5.179) 11.114 10.170 ( 15.042 -13.067 -11.871) 23.193 11.798 ( 39.129 -3.772 -4.356) 39.551 12.403 ( -43.504 1.935 0.616) 43.551 12.573 ( 38.156 -5.382 -2.502) 38.614 14.086 ( -29.210 3.225 4.388) 29.713 15.501 ( -13.345 21.175 12.305) 27.891 17.136 ( -15.473 3.029 4.008) 16.268 17.637 ( -24.549 -0.067 -1.097) 24.574 17.686 ( 24.927 -0.425 0.448) 24.934 18.974 ( 2.832 17.980 13.560) 22.697 21.691 ( 0.698 -14.350 -10.122) 17.574 22.441 ( 24.856 -5.698 -4.463) 25.889 ======================= Grid point 34 (26/189) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( -31.872 -4.193 -8.411) 33.229 3.644 ( -30.666 -1.947 -0.684) 30.736 4.155 ( -26.017 -6.011 1.247) 26.732 4.496 ( -26.234 -4.598 -2.757) 26.776 4.847 ( -21.052 -2.397 -2.283) 21.311 6.301 ( 5.014 3.670 10.055) 11.820 6.575 ( -21.267 0.683 -14.745) 25.887 7.458 ( -7.200 -8.916 -0.842) 11.491 8.450 ( -19.582 4.998 4.557) 20.717 8.771 ( 23.718 -8.921 -7.369) 26.390 9.871 ( 12.199 -3.320 -3.658) 13.161 9.969 ( 13.515 2.456 4.024) 14.313 10.296 ( 11.054 -0.704 -2.053) 11.266 11.702 ( -39.840 0.203 -0.001) 39.841 12.379 ( 33.771 -3.350 -0.133) 33.937 13.144 ( 32.829 3.969 -5.817) 33.576 13.708 ( -18.456 -3.131 5.475) 19.504 15.496 ( -8.316 8.028 3.276) 12.014 16.965 ( -13.942 4.121 5.095) 15.405 17.220 ( -23.484 0.115 -0.833) 23.499 18.110 ( 24.734 -0.026 0.048) 24.734 19.224 ( 1.987 10.050 7.534) 12.717 21.514 ( -3.622 -6.888 -4.882) 9.187 22.780 ( 22.971 -3.065 -2.407) 23.299 ======================= Grid point 35 (27/189) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -35.959 0.000 0.000) 35.959 3.085 ( -33.243 0.000 0.000) 33.243 3.606 ( -36.619 0.000 0.000) 36.619 4.021 ( -24.753 0.000 0.000) 24.753 4.372 ( -31.613 0.000 0.000) 31.613 6.101 ( -27.410 0.000 0.000) 27.410 6.488 ( 8.529 -0.000 -0.000) 8.529 7.267 ( -9.606 0.000 0.000) 9.606 8.103 ( -19.983 0.000 0.000) 19.983 9.142 ( 23.275 -0.000 -0.000) 23.275 10.002 ( 6.328 -0.000 -0.000) 6.328 10.213 ( 11.278 -0.000 -0.000) 11.278 10.463 ( 9.581 -0.000 -0.000) 9.581 11.110 ( -28.720 0.000 0.000) 28.720 12.756 ( 8.273 -0.000 -0.000) 8.273 13.543 ( 4.560 -0.000 -0.000) 4.560 13.668 ( 26.338 -0.000 -0.000) 26.338 15.477 ( 1.012 -0.000 -0.000) 1.012 16.775 ( -13.752 0.000 0.000) 13.752 16.857 ( -18.521 0.000 0.000) 18.521 18.506 ( 21.885 -0.000 -0.000) 21.885 19.329 ( 1.618 -0.000 -0.000) 1.618 21.366 ( -8.270 0.000 0.000) 8.270 23.116 ( 19.408 -0.000 -0.000) 19.408 ======================= Grid point 40 (28/189) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -0.000 16.123 26.177) 30.744 2.582 ( -0.000 25.567 14.779) 29.531 3.320 ( -0.000 10.052 0.343) 10.057 4.547 ( -0.000 29.532 23.693) 37.861 4.549 ( -0.000 27.635 22.561) 35.674 6.607 ( -0.000 20.339 30.472) 36.636 7.031 ( -0.000 -3.874 15.742) 16.211 7.180 ( -0.000 19.134 -1.803) 19.218 7.720 ( 0.000 12.092 -9.195) 15.191 9.289 ( 0.000 -22.148 -2.399) 22.278 9.351 ( 0.000 -7.495 -13.270) 15.240 10.041 ( 0.000 -7.564 -15.450) 17.202 10.090 ( 0.000 -17.598 -2.200) 17.735 10.834 ( -0.000 1.031 -0.156) 1.043 11.531 ( 0.000 -60.148 -42.435) 73.611 14.016 ( -0.000 38.184 28.163) 47.447 14.314 ( -0.000 0.646 0.995) 1.186 16.590 ( -0.000 1.955 18.925) 19.026 16.742 ( -0.000 30.375 5.567) 30.881 16.749 ( -0.000 10.543 2.721) 10.889 19.273 ( 0.000 -1.875 0.371) 1.911 19.353 ( 0.000 -1.427 -0.756) 1.614 21.054 ( 0.000 -4.748 -3.083) 5.661 22.451 ( 0.000 -31.542 -22.179) 38.559 ======================= Grid point 41 (29/189) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 8.928 13.566 13.001) 20.803 3.099 ( 17.377 15.239 19.872) 30.481 3.625 ( 24.742 12.582 -0.152) 27.758 4.951 ( -3.179 27.345 20.829) 34.520 5.009 ( 2.615 29.705 21.711) 36.886 6.710 ( -17.195 -2.249 18.330) 25.233 7.209 ( -2.642 20.802 14.168) 25.307 7.400 ( 9.251 4.631 9.533) 14.068 7.876 ( 9.124 16.629 -10.230) 21.551 9.004 ( -1.765 -27.201 -1.197) 27.285 9.266 ( 8.133 -9.516 -19.826) 23.447 9.743 ( -3.984 -10.552 -21.281) 24.085 10.057 ( 14.230 -20.413 -3.499) 25.128 10.730 ( 4.881 -37.707 -25.517) 45.791 10.839 ( -1.276 -13.712 -9.500) 16.730 14.312 ( -1.177 0.253 2.547) 2.817 14.602 ( -3.059 44.797 31.253) 54.707 16.570 ( -24.768 10.144 12.849) 29.690 16.683 ( -3.106 8.372 0.120) 8.931 17.322 ( 13.773 25.212 16.502) 33.131 19.160 ( -17.684 -6.005 5.390) 19.438 19.209 ( -7.068 2.534 -6.952) 10.232 21.031 ( 9.059 -8.928 -6.363) 14.222 22.056 ( 10.334 -35.176 -24.848) 44.289 ======================= Grid point 42 (30/189) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 18.723 6.203 5.980) 20.610 3.672 ( 20.393 12.586 13.394) 27.453 4.330 ( 36.434 14.841 6.841) 39.931 5.215 ( -9.284 22.612 15.204) 28.786 5.475 ( 2.327 28.824 16.942) 33.516 6.434 ( -20.671 -6.870 14.137) 25.968 7.255 ( -12.792 14.412 -0.436) 19.275 7.791 ( 15.675 -5.184 20.070) 25.988 8.068 ( 5.944 6.299 -14.337) 16.750 8.766 ( 4.622 -18.692 3.973) 19.661 9.052 ( -2.830 -11.871 -25.258) 28.052 9.528 ( 13.343 -13.267 -28.796) 34.398 10.029 ( 15.560 -31.437 -10.133) 36.511 10.467 ( 22.469 -22.209 -14.079) 34.587 10.715 ( -7.930 -0.304 1.686) 8.113 14.285 ( -6.039 1.519 2.930) 6.882 15.193 ( -6.567 47.073 33.344) 58.059 16.257 ( -31.798 12.179 6.100) 34.593 16.703 ( -1.961 2.630 3.796) 5.017 17.900 ( 10.295 26.584 19.467) 34.520 18.725 ( -27.229 -4.686 -0.651) 27.637 19.033 ( -12.009 0.084 -2.839) 12.340 21.102 ( 17.385 -11.809 -8.833) 22.798 21.771 ( 15.459 -34.926 -24.595) 45.428 ======================= Grid point 43 (31/189) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.734 ( 23.469 3.468 2.477) 23.853 4.169 ( 15.212 10.269 9.448) 20.643 5.044 ( 7.783 14.180 11.737) 19.985 5.336 ( 6.285 16.778 3.978) 18.353 5.766 ( -9.529 13.381 7.427) 18.028 6.174 ( -12.501 2.194 16.213) 20.590 7.124 ( -9.765 0.610 -3.561) 10.412 7.639 ( -3.306 -24.752 -14.465) 28.859 8.298 ( 9.344 -4.883 -0.084) 10.544 8.649 ( 2.859 -12.472 0.390) 12.801 9.022 ( 11.521 11.582 -3.256) 16.658 9.476 ( 20.900 -20.163 -25.988) 38.971 9.941 ( 9.895 -15.759 -9.583) 20.931 10.598 ( -3.346 3.206 -4.520) 6.474 10.736 ( 33.639 -18.155 -0.726) 38.232 14.135 ( -17.690 2.294 3.311) 18.143 15.619 ( -20.509 27.464 17.619) 38.539 15.910 ( -27.097 25.673 17.028) 41.028 16.756 ( 5.279 0.156 2.675) 5.920 18.203 ( -26.901 -4.001 -1.952) 27.267 18.430 ( 6.816 25.231 19.024) 32.326 18.771 ( -17.075 -0.292 -1.760) 17.168 21.270 ( 23.870 -12.543 -9.600) 28.622 21.563 ( 16.134 -30.764 -21.668) 40.942 ======================= Grid point 44 (32/189) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.140 ( 17.088 3.524 0.380) 17.452 4.488 ( 6.016 7.253 7.127) 11.815 4.906 ( -22.640 4.661 -2.457) 23.245 5.489 ( -23.004 -9.874 12.478) 27.971 5.752 ( -3.298 15.700 -1.569) 16.119 6.279 ( 1.219 11.262 10.024) 15.126 6.995 ( 12.624 -8.873 -7.894) 17.333 7.364 ( -2.863 -8.496 -5.336) 10.434 8.010 ( -6.472 -20.965 -14.324) 26.203 8.955 ( 18.687 3.404 11.292) 22.097 9.248 ( 11.947 -3.812 -6.112) 13.950 9.572 ( 19.473 -4.383 -10.607) 22.603 9.835 ( -7.328 -3.481 -4.384) 9.222 10.687 ( 18.504 -1.868 -3.699) 18.963 11.210 ( 40.080 -10.918 -2.834) 41.637 13.756 ( -31.963 1.978 2.426) 32.116 15.229 ( -35.983 5.985 2.402) 36.556 16.066 ( -19.086 29.197 20.856) 40.641 16.943 ( 15.501 -0.191 1.073) 15.539 17.764 ( -21.765 0.862 1.059) 21.808 18.434 ( -21.179 -0.331 -0.962) 21.204 18.861 ( 4.084 19.987 15.221) 25.453 21.432 ( 14.914 -22.482 -15.966) 31.349 21.540 ( 27.478 -10.349 -7.875) 30.400 ======================= Grid point 45 (33/189) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.217 ( -17.217 3.653 -2.028) 17.716 4.511 ( -17.852 3.198 -0.563) 18.145 4.643 ( -0.834 -3.408 0.059) 3.509 5.109 ( -13.274 -8.345 8.295) 17.738 5.469 ( -26.150 1.218 -8.143) 27.416 6.420 ( -8.532 9.707 11.623) 17.382 7.122 ( -9.786 3.802 -11.552) 15.610 7.417 ( 29.386 -4.559 2.366) 29.832 7.695 ( 4.376 -16.855 -7.444) 18.938 9.314 ( 19.117 -2.714 -6.869) 20.494 9.349 ( -7.625 2.343 11.091) 13.662 9.550 ( 2.255 -5.209 -8.394) 10.133 9.879 ( 12.264 3.220 0.998) 12.719 11.110 ( 34.647 -1.911 -2.718) 34.806 11.819 ( 42.306 -4.724 -1.608) 42.599 13.152 ( -41.640 1.008 0.921) 41.662 14.681 ( -34.661 2.519 1.564) 34.787 16.006 ( -20.732 10.837 7.162) 24.465 17.273 ( 22.475 0.217 0.046) 22.476 17.494 ( -17.208 4.456 4.192) 18.263 18.045 ( -23.912 -0.193 -0.430) 23.917 19.148 ( 2.538 10.949 8.298) 13.970 21.404 ( 10.711 -11.104 -7.880) 17.324 21.901 ( 28.605 -5.303 -4.055) 29.373 ======================= Grid point 46 (34/189) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.758 ( -31.501 0.000 0.000) 31.501 4.145 ( -28.253 0.000 0.000) 28.253 4.463 ( -14.884 0.000 0.000) 14.884 4.954 ( -29.451 0.000 0.000) 29.451 5.035 ( -3.958 0.000 0.000) 3.958 6.364 ( -5.849 0.000 0.000) 5.849 6.848 ( -16.842 0.000 0.000) 16.842 7.504 ( -4.020 0.000 0.000) 4.020 8.103 ( 37.792 -0.000 -0.000) 37.792 8.982 ( -28.466 0.000 0.000) 28.466 9.579 ( 17.209 -0.000 -0.000) 17.209 9.753 ( 15.072 -0.000 -0.000) 15.072 10.102 ( 11.775 -0.000 -0.000) 11.775 11.727 ( 39.305 -0.000 -0.000) 39.305 12.419 ( -38.581 0.000 0.000) 38.581 12.503 ( 34.891 -0.000 -0.000) 34.891 14.149 ( -29.959 0.000 0.000) 29.959 15.754 ( -16.170 0.000 0.000) 16.170 17.260 ( -15.675 0.000 0.000) 15.675 17.629 ( -24.847 0.000 0.000) 24.847 17.684 ( 25.352 -0.000 -0.000) 25.352 19.267 ( 2.075 -0.000 -0.000) 2.075 21.455 ( 4.079 -0.000 -0.000) 4.079 22.332 ( 26.704 -0.000 -0.000) 26.704 ======================= Grid point 53 (35/189) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( -0.000 1.914 26.875) 26.943 3.180 ( -0.000 17.623 11.320) 20.946 3.449 ( 0.000 13.180 -11.733) 17.645 5.404 ( -0.000 30.225 20.195) 36.351 5.434 ( -0.000 30.140 21.653) 37.111 7.125 ( -0.000 0.161 22.219) 22.220 7.162 ( -0.000 -7.127 19.143) 20.426 7.674 ( -0.000 26.584 0.919) 26.600 7.825 ( 0.000 12.935 -14.901) 19.732 8.738 ( 0.000 -30.756 -2.516) 30.858 8.949 ( 0.000 -10.966 -18.547) 21.546 9.380 ( 0.000 -31.233 -41.349) 51.819 9.735 ( 0.000 -16.202 -1.227) 16.248 10.077 ( 0.000 -30.798 -16.406) 34.895 10.872 ( -0.000 1.423 0.233) 1.442 14.328 ( -0.000 -0.103 1.474) 1.478 15.309 ( -0.000 48.894 35.405) 60.367 16.794 ( -0.000 4.102 6.285) 7.505 16.979 ( -0.000 8.797 3.365) 9.419 17.565 ( -0.000 31.618 21.242) 38.090 19.239 ( 0.000 -1.296 -0.804) 1.525 19.319 ( 0.000 -1.148 -0.498) 1.251 20.784 ( 0.000 -13.885 -10.005) 17.114 21.393 ( 0.000 -41.370 -29.627) 50.884 ======================= Grid point 54 (36/189) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 2.194 2.370 9.158) 9.711 3.549 ( 14.822 9.562 10.974) 20.773 3.860 ( 33.465 12.136 -0.809) 35.607 5.731 ( -9.729 25.766 17.332) 32.542 5.878 ( -0.041 32.005 16.797) 36.145 6.851 ( -22.594 -7.285 19.101) 30.470 7.555 ( 14.518 -11.289 13.886) 23.044 7.662 ( -12.765 15.686 -1.518) 20.281 7.886 ( 1.603 -3.955 -21.242) 21.666 8.527 ( 8.625 -14.443 4.983) 17.545 8.769 ( 3.633 -9.756 -22.464) 24.759 8.872 ( 10.782 -26.900 -32.154) 43.286 9.616 ( 4.850 -13.978 -4.543) 15.477 9.895 ( 13.363 -17.361 -6.963) 22.989 10.846 ( -4.934 1.278 0.431) 5.115 14.343 ( 0.350 0.307 1.456) 1.529 15.992 ( -5.225 48.669 35.400) 60.408 16.826 ( -4.472 4.286 2.378) 6.635 16.878 ( -22.135 9.612 7.692) 25.328 18.124 ( 10.016 29.299 21.189) 37.520 19.102 ( -21.497 -3.637 -1.256) 21.839 19.169 ( -6.153 -0.220 -2.175) 6.529 20.644 ( 10.821 -17.274 -12.766) 24.051 20.930 ( 17.255 -41.655 -29.648) 53.962 ======================= Grid point 55 (37/189) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.423 ( 16.487 1.492 2.920) 16.810 3.993 ( 20.225 6.655 6.365) 22.222 4.636 ( 42.921 8.633 3.958) 43.959 5.761 ( -20.912 16.453 6.218) 27.325 6.165 ( -12.035 18.765 6.784) 23.303 6.575 ( -17.227 0.093 21.526) 27.571 7.277 ( -10.086 -23.337 -14.106) 29.074 7.509 ( -11.708 7.373 0.215) 13.838 8.029 ( 13.066 -8.960 -5.358) 16.725 8.429 ( 6.312 -14.103 -4.582) 16.116 8.747 ( 15.564 -16.850 -17.189) 28.664 8.927 ( 18.080 10.382 -2.270) 20.972 9.592 ( 9.965 -7.071 -8.083) 14.650 10.047 ( 26.060 -14.210 -2.927) 29.827 10.742 ( -8.645 0.864 0.471) 8.700 14.340 ( -3.931 0.874 1.603) 4.334 16.320 ( -24.556 16.856 10.504) 31.583 16.735 ( -19.094 34.156 13.245) 41.312 16.792 ( -6.601 1.278 14.644) 16.114 18.594 ( -26.416 -5.634 -5.241) 27.514 18.677 ( 6.939 24.310 18.195) 31.148 19.003 ( -11.901 -0.648 -0.699) 11.939 20.660 ( 22.047 -17.912 -13.520) 31.459 20.755 ( 24.334 -31.638 -22.354) 45.747 ======================= Grid point 56 (38/189) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.792 ( 23.209 0.772 0.695) 23.232 4.393 ( 16.163 3.684 3.327) 16.909 5.307 ( -4.454 3.245 2.537) 6.066 5.619 ( 17.625 9.876 -2.730) 20.387 5.905 ( -22.904 -3.572 7.991) 24.519 6.393 ( -18.808 -4.085 -1.448) 19.301 7.047 ( -6.737 13.078 3.428) 15.105 7.395 ( -6.740 -3.653 6.068) 9.777 7.808 ( -4.993 -16.962 -15.730) 23.666 8.606 ( 21.745 -7.885 -5.325) 23.736 8.879 ( 18.209 -3.409 1.207) 18.564 9.312 ( 16.299 7.138 -0.068) 17.794 9.696 ( 12.148 -2.671 -5.537) 13.615 10.450 ( 36.204 -7.641 -2.014) 37.057 10.605 ( -6.686 0.075 0.245) 6.691 14.196 ( -16.595 0.837 1.165) 16.657 15.891 ( -35.059 3.716 1.206) 35.276 16.755 ( -4.820 5.816 3.444) 8.301 16.857 ( -18.184 16.082 14.279) 28.164 18.127 ( -20.027 -1.076 -1.884) 20.144 18.750 ( -17.007 -0.399 -0.191) 17.013 19.053 ( 3.167 13.754 10.483) 17.581 20.793 ( 24.957 -17.239 -12.343) 32.747 20.909 ( 28.914 -9.666 -7.268) 31.341 ======================= Grid point 57 (39/189) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.173 ( 18.687 -0.000 -0.000) 18.687 4.619 ( 6.346 -0.000 -0.000) 6.346 4.904 ( -28.329 0.000 0.000) 28.329 5.428 ( -25.164 0.000 0.000) 25.164 5.920 ( -27.093 0.000 0.000) 27.093 6.370 ( 33.422 -0.000 -0.000) 33.422 7.060 ( -0.813 0.000 0.000) 0.813 7.282 ( -8.489 0.000 0.000) 8.489 7.569 ( -1.852 0.000 0.000) 1.852 8.911 ( 21.889 -0.000 -0.000) 21.889 9.195 ( 18.037 -0.000 -0.000) 18.037 9.567 ( 7.446 -0.000 -0.000) 7.446 9.787 ( 1.087 -0.000 -0.000) 1.087 10.644 ( 15.276 -0.000 -0.000) 15.276 11.072 ( 41.798 -0.000 -0.000) 41.798 13.792 ( -31.997 0.000 0.000) 31.997 15.303 ( -36.550 0.000 0.000) 36.550 16.496 ( -26.759 0.000 0.000) 26.759 16.952 ( 14.563 -0.000 -0.000) 14.563 17.826 ( -17.424 0.000 0.000) 17.424 18.424 ( -21.144 0.000 0.000) 21.144 19.194 ( 2.138 -0.000 -0.000) 2.138 21.053 ( 19.722 -0.000 -0.000) 19.722 21.352 ( 30.720 -0.000 -0.000) 30.720 ======================= Grid point 66 (40/189) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( -0.000 -6.398 15.002) 16.310 3.556 ( -0.000 8.865 6.156) 10.793 3.582 ( 0.000 13.200 -8.272) 15.577 6.228 ( -0.000 29.186 14.308) 32.505 6.277 ( -0.000 29.256 17.085) 33.879 7.202 ( -0.000 -20.229 18.028) 27.097 7.289 ( -0.000 -10.355 14.125) 17.514 7.501 ( 0.000 -13.050 -28.680) 31.509 8.043 ( 0.000 13.247 -7.245) 15.098 8.298 ( 0.000 -3.877 -8.849) 9.661 8.361 ( 0.000 -19.827 -13.505) 23.990 8.535 ( 0.000 -6.591 -10.868) 12.710 9.444 ( 0.000 -11.287 -1.018) 11.333 9.589 ( 0.000 -11.728 -7.443) 13.891 10.901 ( -0.000 0.968 0.310) 1.017 14.342 ( -0.000 0.000 0.809) 0.809 16.717 ( -0.000 38.165 27.502) 47.042 16.921 ( -0.000 2.467 3.013) 3.894 17.260 ( -0.000 20.354 14.752) 25.138 18.470 ( -0.000 30.094 21.957) 37.253 19.207 ( 0.000 0.237 -2.258) 2.270 19.297 ( 0.000 -0.614 -0.141) 0.630 20.070 ( 0.000 -49.741 -34.815) 60.714 20.266 ( 0.000 -20.823 -15.417) 25.909 ======================= Grid point 67 (41/189) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.294 ( 1.142 -0.184 2.876) 3.100 3.765 ( 14.370 3.326 3.032) 15.058 4.032 ( 35.258 4.655 0.430) 35.566 6.332 ( -22.170 15.511 6.671) 27.867 6.569 ( -11.084 15.069 1.965) 18.810 6.976 ( -15.695 -5.229 14.198) 21.800 7.078 ( 3.943 -8.941 2.541) 10.097 7.569 ( 14.109 -17.214 -10.894) 24.780 7.880 ( -9.589 10.585 -5.292) 15.231 8.172 ( -1.101 -11.312 -4.898) 12.376 8.309 ( 11.794 -6.941 -8.175) 15.941 8.705 ( 18.499 5.725 0.223) 19.366 9.383 ( 4.139 -3.802 -3.662) 6.708 9.574 ( 13.738 -9.014 -1.981) 16.550 10.869 ( -4.893 0.517 0.192) 4.924 14.361 ( 1.200 0.126 0.521) 1.314 16.857 ( -18.212 6.689 3.887) 19.787 16.905 ( -5.412 1.204 1.307) 5.696 17.643 ( -17.158 42.945 33.462) 57.082 18.858 ( -24.099 -17.420 -16.607) 34.059 18.924 ( 3.808 21.779 16.053) 27.323 19.148 ( -6.171 -0.995 0.671) 6.286 19.822 ( 30.755 -26.091 -18.008) 44.169 20.094 ( 15.587 -17.679 -13.205) 27.016 ======================= Grid point 68 (42/189) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.454 ( 16.057 -0.000 -0.000) 16.057 4.100 ( 20.426 -0.000 -0.000) 20.426 4.750 ( 44.921 -0.000 -0.000) 44.921 5.957 ( -28.536 0.000 0.000) 28.536 6.302 ( -22.057 0.000 0.000) 22.057 6.704 ( -17.992 0.000 0.000) 17.992 7.330 ( -3.695 0.000 0.000) 3.695 7.343 ( 2.192 -0.000 -0.000) 2.192 7.839 ( -13.351 0.000 0.000) 13.351 8.157 ( 20.375 -0.000 -0.000) 20.375 8.557 ( 19.098 -0.000 -0.000) 19.098 9.058 ( 18.445 -0.000 -0.000) 18.445 9.468 ( 9.524 -0.000 -0.000) 9.524 9.863 ( 26.766 -0.000 -0.000) 26.766 10.754 ( -8.725 0.000 0.000) 8.725 14.359 ( -3.185 0.000 0.000) 3.185 16.472 ( -30.213 0.000 0.000) 30.213 16.810 ( -5.565 0.000 0.000) 5.565 17.555 ( -33.721 0.000 0.000) 33.721 18.373 ( -13.753 0.000 0.000) 13.753 18.992 ( -11.894 0.000 0.000) 11.894 19.132 ( 1.432 -0.000 -0.000) 1.432 20.170 ( 31.277 -0.000 -0.000) 31.277 20.338 ( 27.543 -0.000 -0.000) 27.543 ======================= Grid point 81 (43/189) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( 0.000 0.000 -0.000) 0.000 3.663 ( -0.000 0.000 0.000) 0.000 3.684 ( -0.000 0.000 0.000) 0.000 6.701 ( -0.000 0.000 0.000) 0.000 6.915 ( -0.000 0.000 0.000) 0.000 6.930 ( 0.000 -0.000 -0.000) 0.000 7.042 ( -0.000 0.000 0.000) 0.000 7.272 ( -0.000 0.000 0.000) 0.000 7.924 ( -0.000 0.000 0.000) 0.000 8.070 ( -0.000 0.000 0.000) 0.000 8.361 ( 0.000 -0.000 -0.000) 0.000 8.449 ( -0.000 -0.000 0.000) 0.000 9.317 ( -0.000 0.000 0.000) 0.000 9.407 ( -0.000 0.000 0.000) 0.000 10.913 ( -0.000 0.000 0.000) 0.000 14.348 ( -0.000 0.000 0.000) 0.000 16.966 ( -0.000 0.000 0.000) 0.000 17.065 ( -0.000 0.000 -0.000) 0.000 18.476 ( 0.000 -0.000 -0.000) 0.000 18.642 ( -0.000 0.000 0.000) 0.000 19.097 ( 0.000 0.000 -0.000) 0.000 19.197 ( -0.000 0.000 0.000) 0.000 19.295 ( -0.000 0.000 0.000) 0.000 19.769 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (44/189) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -0.000 0.000 47.725) 47.725 0.961 ( -0.000 0.000 47.725) 47.725 1.450 ( -0.000 0.000 71.095) 71.095 3.119 ( -0.000 0.000 19.276) 19.276 3.119 ( -0.000 0.000 19.276) 19.276 4.929 ( -0.000 0.000 11.076) 11.076 6.839 ( -0.000 0.000 4.284) 4.284 6.839 ( -0.000 0.000 4.284) 4.284 7.508 ( 0.000 -0.000 -4.697) 4.697 9.961 ( -0.000 0.000 3.479) 3.479 9.961 ( -0.000 0.000 3.479) 3.479 10.443 ( 0.000 -0.000 -4.034) 4.034 10.835 ( 0.000 -0.000 -1.854) 1.854 10.835 ( 0.000 -0.000 -1.854) 1.854 12.345 ( -0.000 0.000 3.224) 3.224 14.244 ( 0.000 -0.000 -4.261) 4.261 14.244 ( 0.000 -0.000 -4.261) 4.261 16.105 ( -0.000 0.000 3.116) 3.116 16.105 ( -0.000 0.000 3.116) 3.116 16.121 ( 0.000 -0.000 -13.230) 13.230 19.377 ( 0.000 -0.000 -5.613) 5.613 19.377 ( 0.000 -0.000 -5.613) 5.613 20.893 ( -0.000 0.000 9.099) 9.099 23.785 ( 0.000 -0.000 -3.782) 3.782 ======================= Grid point 163 (45/189) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 20.563 11.872 31.191) 39.200 1.741 ( 26.371 15.225 37.280) 48.135 2.228 ( 21.193 12.236 56.748) 61.799 3.369 ( 10.090 5.826 23.282) 26.035 3.391 ( 10.499 6.061 21.090) 24.325 5.167 ( 12.774 7.375 16.726) 22.301 6.778 ( -5.588 -3.226 2.908) 7.077 6.994 ( 7.390 4.267 7.796) 11.559 7.510 ( 3.384 1.954 -6.065) 7.215 9.787 ( -6.499 -3.752 2.888) 8.041 9.981 ( -2.215 -1.279 3.622) 4.434 10.365 ( -4.127 -2.383 -7.304) 8.721 10.759 ( -3.262 -1.883 -4.423) 5.810 10.903 ( 5.111 2.951 4.055) 7.160 12.432 ( 1.593 0.920 6.526) 6.780 14.123 ( -2.525 -1.458 -12.315) 12.656 14.203 ( -4.389 -2.534 -4.284) 6.637 15.852 ( -10.460 -6.039 -10.165) 15.786 16.257 ( 8.261 4.769 2.425) 9.842 16.285 ( 7.667 4.427 2.238) 9.132 19.220 ( -6.281 -3.626 -10.504) 12.765 19.355 ( -4.009 -2.314 1.980) 5.035 21.017 ( 5.150 2.974 9.597) 11.291 23.654 ( -5.914 -3.414 -6.915) 9.719 ======================= Grid point 164 (46/189) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 35.922 20.740 13.364) 43.579 2.539 ( 24.627 14.218 26.839) 39.102 3.015 ( 18.980 10.958 41.698) 47.106 3.841 ( 17.359 10.022 17.258) 26.450 3.852 ( 17.548 10.131 25.204) 32.339 5.703 ( 22.353 12.906 22.792) 34.434 6.621 ( -9.430 -5.445 0.829) 10.921 7.261 ( 10.361 5.982 11.910) 16.881 7.577 ( 6.331 3.655 -6.869) 10.031 9.767 ( 5.433 3.137 -8.017) 10.180 9.908 ( -5.683 -3.281 0.751) 6.605 10.154 ( -8.768 -5.062 -12.332) 15.955 10.617 ( -6.668 -3.850 -4.593) 8.966 11.134 ( 9.729 5.617 15.247) 18.938 12.500 ( 0.595 0.344 7.173) 7.206 13.950 ( -3.636 -2.099 -18.656) 19.122 13.992 ( -10.177 -5.876 -10.071) 15.476 15.538 ( -12.646 -7.301 -4.359) 15.239 16.475 ( 6.231 3.598 7.849) 10.648 16.493 ( 9.800 5.658 8.704) 14.276 18.958 ( -9.366 -5.408 -14.953) 18.454 19.222 ( -10.608 -6.125 7.736) 14.487 21.237 ( 9.384 5.418 6.530) 12.651 23.450 ( -6.692 -3.864 -11.829) 14.129 ======================= Grid point 165 (47/189) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 34.135 19.708 10.102) 40.690 3.184 ( 19.020 10.981 19.313) 29.245 3.636 ( 15.346 8.860 29.111) 34.080 4.364 ( 20.184 11.653 11.486) 25.982 4.432 ( 18.184 10.499 23.073) 31.197 6.370 ( -12.625 -7.289 -1.125) 14.621 6.418 ( 26.627 15.373 21.175) 37.332 7.616 ( 12.702 7.333 17.546) 22.869 7.700 ( 8.822 5.093 -7.035) 12.380 9.720 ( -9.129 -5.271 -11.472) 15.580 9.827 ( -12.691 -7.327 -8.432) 16.907 9.873 ( 8.824 5.095 -15.374) 18.444 10.433 ( -4.235 -2.445 -7.064) 8.591 11.537 ( 13.537 7.816 26.478) 30.748 12.541 ( 0.145 0.084 -0.122) 0.208 13.614 ( -14.760 -8.522 -18.405) 25.084 13.736 ( -3.600 -2.078 -17.284) 17.777 15.236 ( -15.881 -9.169 9.476) 20.641 16.677 ( 6.955 4.016 9.423) 12.381 16.818 ( 11.927 6.886 15.234) 20.536 18.606 ( -11.855 -6.844 -18.606) 23.099 18.987 ( -15.705 -9.067 10.642) 21.026 21.513 ( 12.484 7.208 1.850) 14.534 23.196 ( -7.872 -4.545 -14.943) 17.490 ======================= Grid point 166 (48/189) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( 11.853 6.843 13.255) 19.053 3.726 ( 22.711 13.112 15.691) 30.560 4.099 ( 13.430 7.754 15.395) 21.851 4.883 ( 19.430 11.218 8.800) 24.100 4.911 ( 11.126 6.424 17.675) 21.851 6.051 ( -14.561 -8.407 -1.988) 16.930 7.119 ( 26.008 15.016 8.645) 31.251 7.882 ( 11.189 6.460 -6.749) 14.576 8.073 ( 15.101 8.718 25.079) 30.545 9.310 ( -13.070 -7.546 -28.945) 32.643 9.517 ( -14.758 -8.521 2.294) 17.195 9.812 ( -8.170 -4.717 -7.002) 11.748 10.485 ( 19.002 10.971 -24.025) 32.537 12.071 ( 15.068 8.699 34.150) 38.327 12.449 ( -3.791 -2.189 -18.909) 19.409 13.108 ( -16.974 -9.800 -23.692) 30.748 13.629 ( 0.856 0.494 -0.766) 1.251 14.933 ( -21.330 -12.315 23.840) 34.278 16.928 ( 10.569 6.102 7.452) 14.299 17.222 ( 13.478 7.781 19.582) 25.013 18.187 ( -13.422 -7.749 -20.872) 25.997 18.665 ( -19.535 -11.279 12.062) 25.579 21.816 ( 14.592 8.425 -2.682) 17.061 22.903 ( -8.789 -5.074 -16.557) 19.420 ======================= Grid point 167 (49/189) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.875 ( 2.778 1.604 5.394) 6.275 4.117 ( 1.527 0.882 18.441) 18.525 4.522 ( 17.861 10.312 5.974) 21.472 5.133 ( -1.097 -0.633 13.618) 13.676 5.322 ( 13.871 8.009 8.625) 18.192 5.710 ( -14.030 -8.100 -1.508) 16.271 7.694 ( 24.131 13.932 -3.983) 28.147 8.030 ( 3.076 1.776 -14.112) 14.552 8.577 ( 12.554 7.248 24.697) 28.637 8.869 ( -5.832 -3.367 -24.503) 25.411 9.168 ( -16.635 -9.604 0.996) 19.235 9.546 ( -10.550 -6.091 2.091) 12.360 10.871 ( 31.872 18.401 -37.240) 52.356 12.125 ( -8.277 -4.778 -33.518) 34.854 12.409 ( -11.610 -6.703 -12.379) 18.247 12.779 ( 6.803 3.928 24.932) 26.141 13.779 ( 7.069 4.081 17.018) 18.874 14.591 ( -25.508 -14.727 32.182) 43.625 17.253 ( 14.507 8.376 4.531) 17.354 17.671 ( 14.042 8.107 21.198) 26.688 17.741 ( -13.482 -7.784 -20.406) 25.666 18.277 ( -22.013 -12.709 12.499) 28.325 22.130 ( 15.908 9.185 -6.203) 19.389 22.586 ( -9.358 -5.403 -16.969) 20.117 ======================= Grid point 168 (50/189) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.828 ( -7.001 -4.042 -4.984) 9.497 4.111 ( -9.572 -5.526 10.384) 15.165 4.866 ( 6.632 3.829 5.537) 9.450 5.022 ( -16.390 -9.463 12.856) 22.879 5.432 ( -10.700 -6.178 0.487) 12.365 5.633 ( 10.196 5.886 7.929) 14.194 7.663 ( -17.445 -10.072 -33.717) 39.276 8.132 ( 16.117 9.305 -6.505) 19.714 8.638 ( -18.907 -10.916 2.425) 21.966 8.823 ( 1.361 0.785 4.802) 5.052 9.038 ( 14.130 8.158 -8.061) 18.199 9.547 ( 5.646 3.260 18.591) 19.701 11.372 ( 34.475 19.904 -45.424) 60.399 11.704 ( -5.648 -3.261 -34.355) 34.968 11.854 ( -19.498 -11.257 -25.961) 34.363 13.224 ( 4.961 2.864 39.460) 39.874 14.136 ( 11.110 6.414 26.237) 29.205 14.253 ( -21.918 -12.654 31.880) 40.705 17.296 ( -11.304 -6.526 -18.902) 22.971 17.664 ( 16.114 9.304 5.258) 19.336 17.849 ( -22.822 -13.176 11.917) 28.922 18.125 ( 13.427 7.752 20.517) 25.717 22.259 ( -9.787 -5.651 -16.325) 19.855 22.446 ( 16.559 9.560 -8.641) 20.982 ======================= Grid point 169 (51/189) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( -14.614 -8.438 -13.485) 21.601 3.844 ( -17.919 -10.345 2.696) 20.865 4.623 ( -25.451 -14.694 11.802) 31.670 4.824 ( -11.840 -6.836 0.906) 13.701 5.152 ( -16.546 -9.553 0.745) 19.120 5.939 ( 12.271 7.085 8.399) 16.472 6.989 ( -20.686 -11.943 -32.150) 40.052 8.160 ( -23.137 -13.358 2.205) 26.807 8.229 ( -4.631 -2.674 0.709) 5.394 8.972 ( 14.412 8.321 -7.760) 18.362 9.424 ( 20.684 11.942 -4.529) 24.310 9.873 ( 9.203 5.313 18.770) 21.569 11.240 ( -19.888 -11.482 -24.278) 33.418 11.250 ( -6.438 -3.717 -29.451) 30.375 12.006 ( 40.169 23.192 -45.963) 65.300 13.368 ( -15.647 -9.034 37.349) 41.490 14.134 ( -4.460 -2.575 23.252) 23.816 14.599 ( 12.883 7.438 29.887) 33.384 16.952 ( -9.329 -5.386 -11.974) 16.107 17.414 ( -22.194 -12.814 10.528) 27.706 18.081 ( 17.002 9.816 5.933) 20.509 18.544 ( 12.185 7.035 17.885) 22.756 21.931 ( -10.250 -5.918 -14.651) 18.834 22.755 ( 16.523 9.539 -10.330) 21.696 ======================= Grid point 170 (52/189) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -20.033 -11.566 -17.232) 28.846 3.343 ( -25.946 -14.980 -5.273) 30.421 4.050 ( -32.246 -18.617 10.694) 38.740 4.419 ( -22.254 -12.848 -0.739) 25.707 4.658 ( -25.516 -14.732 -5.434) 29.961 6.267 ( 11.274 6.509 8.637) 15.623 6.362 ( -20.846 -12.035 -15.422) 28.587 7.668 ( -20.399 -11.777 -0.777) 23.567 8.068 ( -9.174 -5.296 2.764) 10.947 9.268 ( 15.567 8.988 -9.692) 20.421 9.851 ( 18.896 10.910 -2.953) 22.019 10.156 ( 6.750 3.897 11.248) 13.685 10.655 ( -17.861 -10.312 -22.510) 30.530 10.978 ( -3.401 -1.963 -17.388) 17.825 12.618 ( 40.209 23.215 -43.451) 63.590 13.153 ( -20.838 -12.031 31.127) 39.342 14.234 ( 0.193 0.112 12.783) 12.785 15.086 ( 12.454 7.191 28.837) 32.224 16.725 ( -6.608 -3.815 -3.111) 8.240 17.004 ( -19.481 -11.247 8.129) 23.918 18.490 ( 15.100 8.718 7.558) 19.004 18.902 ( 10.030 5.791 14.064) 18.219 21.607 ( -10.629 -6.136 -11.815) 17.035 23.045 ( 15.665 9.044 -11.652) 21.517 ======================= Grid point 171 (53/189) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -26.196 -15.124 -16.895) 34.647 2.616 ( -33.393 -19.279 -11.221) 40.158 3.322 ( -38.267 -22.093 10.463) 45.409 3.895 ( -23.787 -13.733 3.224) 27.655 4.008 ( -27.243 -15.729 -5.030) 31.858 5.828 ( -22.993 -13.275 1.522) 26.593 6.543 ( 8.106 4.680 7.981) 12.301 7.258 ( -14.472 -8.356 -3.457) 17.065 7.877 ( -8.748 -5.051 1.050) 10.156 9.520 ( 12.112 6.993 -8.069) 16.147 10.104 ( -9.484 -5.476 -9.179) 14.289 10.273 ( 11.531 6.657 -13.697) 19.102 10.327 ( 4.374 2.525 3.156) 5.956 10.862 ( -0.409 -0.236 -6.413) 6.431 12.905 ( -17.461 -10.081 25.046) 32.153 13.213 ( 35.635 20.574 -35.265) 54.192 14.283 ( -0.599 -0.346 4.295) 4.351 15.517 ( 9.999 5.773 22.853) 25.604 16.595 ( -5.412 -3.125 2.663) 6.793 16.660 ( -14.749 -8.515 4.997) 17.749 18.850 ( 11.648 6.725 9.529) 16.483 19.177 ( 7.293 4.210 9.523) 12.712 21.303 ( -10.397 -6.002 -7.538) 14.175 23.297 ( 13.856 8.000 -12.706) 20.431 ======================= Grid point 172 (54/189) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -33.567 -19.380 -9.540) 39.916 1.736 ( -37.735 -21.786 -8.303) 44.357 2.514 ( -41.952 -24.221 20.489) 52.597 3.437 ( -19.804 -11.434 8.790) 24.498 3.443 ( -21.302 -12.299 3.487) 24.843 5.353 ( -21.576 -12.457 8.411) 26.295 6.732 ( 4.239 2.447 6.767) 8.351 6.980 ( -8.318 -4.802 -3.026) 10.070 7.700 ( -6.654 -3.842 -1.324) 7.796 9.713 ( 8.866 5.119 -4.327) 11.114 9.771 ( -8.009 -4.624 -12.033) 15.176 10.410 ( 2.881 1.663 -1.596) 3.690 10.538 ( 12.414 7.167 -5.067) 15.203 10.843 ( 0.387 0.223 -1.594) 1.656 12.706 ( -13.524 -7.808 18.926) 24.537 13.727 ( 26.957 15.564 -23.499) 39.002 14.285 ( -0.326 -0.188 0.719) 0.811 15.819 ( 6.357 3.670 11.821) 13.915 16.420 ( -8.602 -4.966 2.014) 10.135 16.493 ( -5.564 -3.212 1.918) 6.705 19.132 ( 7.330 4.232 10.646) 13.600 19.353 ( 4.138 2.389 4.592) 6.627 21.053 ( -8.733 -5.042 -1.733) 10.232 23.495 ( 11.205 6.469 -12.489) 17.983 ======================= Grid point 175 (55/189) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -0.000 10.713 40.648) 42.036 1.768 ( -0.000 8.235 45.641) 46.378 2.663 ( -0.000 23.254 48.884) 54.133 3.516 ( -0.000 10.270 24.358) 26.434 3.562 ( -0.000 12.811 24.801) 27.914 5.323 ( -0.000 20.119 21.639) 29.547 6.884 ( -0.000 0.869 4.410) 4.495 6.974 ( -0.000 1.828 9.333) 9.510 7.463 ( 0.000 3.930 -7.563) 8.523 9.826 ( -0.000 -15.671 5.536) 16.620 9.904 ( -0.000 -9.087 3.719) 9.819 10.327 ( 0.000 -3.693 -8.676) 9.429 10.719 ( 0.000 -12.206 0.887) 12.238 10.790 ( 0.000 0.660 -3.095) 3.164 12.663 ( -0.000 24.015 7.693) 25.217 13.761 ( 0.000 -33.454 -20.968) 39.482 14.286 ( 0.000 3.171 -1.235) 3.403 15.924 ( 0.000 7.242 -9.026) 11.572 16.282 ( -0.000 10.970 0.852) 11.003 16.288 ( -0.000 8.140 6.099) 10.172 19.249 ( 0.000 2.216 -9.911) 10.156 19.356 ( 0.000 2.601 -5.996) 6.536 21.065 ( -0.000 1.449 11.139) 11.233 23.536 ( 0.000 -17.436 -6.482) 18.602 ======================= Grid point 176 (56/189) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 13.311 18.890 29.530) 37.498 2.415 ( 23.779 8.438 36.083) 44.030 3.203 ( 9.582 11.991 37.456) 40.479 3.873 ( 7.349 15.154 22.712) 28.275 3.940 ( 7.838 16.405 25.091) 30.985 5.802 ( 8.508 26.976 26.581) 38.815 6.783 ( -11.500 -0.803 3.675) 12.100 7.204 ( 11.387 3.688 12.297) 17.161 7.491 ( 3.811 6.157 -8.308) 11.021 9.667 ( -0.677 -9.186 -2.331) 9.501 9.853 ( 1.447 -13.205 0.757) 13.306 10.144 ( -6.813 -6.327 -12.960) 15.950 10.656 ( -0.683 -3.484 -4.377) 5.636 10.864 ( 15.336 -11.966 8.421) 21.196 12.811 ( -13.853 12.576 4.113) 19.156 13.362 ( 12.914 -30.355 -21.071) 39.143 14.246 ( -7.684 5.052 -2.362) 9.495 15.816 ( -17.009 15.283 -7.667) 24.118 16.457 ( 3.920 5.756 10.500) 12.599 16.517 ( 9.349 12.937 6.859) 17.372 19.065 ( -13.563 4.506 -14.996) 20.716 19.332 ( -3.302 -1.968 0.679) 3.903 21.186 ( 5.552 0.093 8.437) 10.101 23.295 ( 0.810 -20.117 -11.172) 23.025 ======================= Grid point 177 (57/189) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 27.394 19.513 17.931) 38.114 3.088 ( 20.973 8.660 25.361) 34.030 3.738 ( 13.970 10.465 30.071) 34.770 4.307 ( 10.182 15.124 16.805) 24.796 4.450 ( 13.218 16.284 23.908) 31.803 6.405 ( 11.293 20.997 24.153) 33.937 6.560 ( -13.959 -0.709 0.719) 13.995 7.556 ( 12.209 4.483 14.999) 19.853 7.610 ( 8.910 9.918 -4.378) 14.033 9.586 ( 3.141 -8.581 -15.501) 17.993 9.699 ( -1.013 -10.759 -6.706) 12.718 9.847 ( -7.045 -8.487 -12.884) 16.961 10.532 ( -8.532 2.164 -6.040) 10.675 11.170 ( 28.424 -22.354 18.811) 40.761 12.452 ( 0.836 -36.897 -25.344) 44.770 13.412 ( -1.545 19.092 7.469) 20.559 14.098 ( -15.615 11.997 -7.427) 21.046 15.605 ( -19.953 13.208 -1.512) 23.976 16.644 ( 4.600 0.548 14.433) 15.158 16.898 ( 9.363 17.174 14.456) 24.322 18.719 ( -18.107 3.064 -18.438) 26.024 19.199 ( -10.567 -6.305 7.051) 14.182 21.361 ( 10.812 -0.363 2.603) 11.127 23.027 ( 1.184 -19.545 -16.661) 25.710 ======================= Grid point 178 (58/189) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 27.894 11.013 14.445) 33.287 3.629 ( 15.722 10.574 18.518) 26.494 4.226 ( 5.886 15.400 22.616) 27.987 4.731 ( 15.101 10.825 9.993) 21.097 4.972 ( 11.506 15.364 20.204) 27.868 6.251 ( -17.252 -4.859 2.395) 18.082 6.921 ( 15.038 10.508 9.583) 20.697 7.783 ( 8.094 13.625 -7.447) 17.511 8.048 ( 17.170 6.332 25.952) 31.755 9.232 ( -10.769 -11.337 -28.270) 32.306 9.495 ( -4.291 -21.229 -2.000) 21.750 9.754 ( 8.091 3.830 -18.709) 20.740 10.365 ( -7.873 5.753 -9.496) 13.610 11.568 ( 31.929 -34.434 13.369) 48.825 11.957 ( 12.954 -43.140 -21.798) 50.040 13.559 ( -22.722 32.752 -5.105) 40.187 13.962 ( -12.447 25.612 7.643) 29.485 15.389 ( -20.673 4.768 12.136) 24.441 16.823 ( 7.380 -3.549 15.001) 17.090 17.345 ( 8.327 20.582 18.848) 29.124 18.287 ( -19.463 0.468 -20.003) 27.913 18.954 ( -16.442 -8.879 10.522) 21.445 21.576 ( 15.437 0.007 -4.143) 15.983 22.735 ( 0.699 -18.233 -20.198) 27.219 ======================= Grid point 179 (59/189) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.914 ( 6.135 5.063 10.663) 13.303 4.157 ( 18.016 6.997 18.276) 26.600 4.498 ( -1.706 12.649 11.198) 16.980 5.143 ( 13.827 8.175 6.588) 17.362 5.367 ( 3.553 13.487 16.212) 21.386 5.927 ( -17.702 -4.172 4.843) 18.821 7.298 ( 22.272 0.250 -1.525) 22.326 7.935 ( 1.991 4.951 -16.231) 17.086 8.554 ( 14.693 1.763 22.852) 27.225 8.785 ( -7.075 -1.970 -25.604) 26.636 9.204 ( -4.470 -18.448 3.607) 19.322 9.730 ( -6.034 3.810 -10.239) 12.480 10.357 ( 14.107 10.601 -27.075) 32.318 11.334 ( 15.252 -48.387 -33.903) 61.019 12.180 ( 33.694 -29.550 27.746) 52.710 13.208 ( -34.362 27.878 -24.988) 50.817 14.283 ( -9.264 41.618 27.379) 50.671 15.136 ( -25.110 -4.939 26.361) 36.739 17.047 ( 13.722 -4.610 11.752) 18.645 17.806 ( -2.756 13.475 4.594) 14.501 17.837 ( -8.713 7.420 -3.303) 11.911 18.620 ( -20.875 -10.190 12.020) 26.155 21.824 ( 19.073 0.817 -9.841) 21.477 22.431 ( -0.012 -16.458 -21.595) 27.152 ======================= Grid point 180 (60/189) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.967 ( -9.761 4.732 -0.053) 10.848 4.358 ( -11.326 1.402 13.460) 17.647 4.743 ( 14.561 0.717 7.698) 16.486 5.334 ( -9.568 2.830 14.556) 17.647 5.476 ( -5.097 -6.442 2.699) 8.647 5.776 ( -6.316 12.904 11.868) 18.635 7.579 ( -12.840 -12.851 -32.957) 37.632 7.696 ( 28.633 -2.941 -8.493) 30.011 8.572 ( -3.751 -20.605 -1.452) 20.994 8.860 ( 12.927 15.116 -4.879) 20.480 9.150 ( -9.808 5.226 9.301) 14.492 9.625 ( -0.896 3.761 7.361) 8.315 10.597 ( 28.521 -2.620 -40.666) 49.740 10.983 ( 17.706 -23.260 -32.385) 43.627 12.441 ( -17.831 13.569 -13.492) 26.155 12.899 ( 14.400 -18.393 16.149) 28.398 14.713 ( -14.717 38.800 29.243) 50.766 14.800 ( -25.584 -8.400 33.187) 42.737 17.301 ( 3.158 -1.323 -5.537) 6.510 17.460 ( 0.831 -3.743 -0.337) 3.849 18.215 ( -21.600 -7.911 12.660) 26.257 18.284 ( 3.527 19.458 18.959) 27.395 22.100 ( 21.166 1.603 -13.769) 25.301 22.132 ( -0.738 -13.849 -20.906) 25.088 ======================= Grid point 181 (61/189) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.700 ( -20.264 1.832 -9.985) 22.665 4.133 ( -20.418 -2.884 4.140) 21.033 4.860 ( -6.280 -12.014 8.152) 15.819 5.090 ( -22.192 -5.799 16.840) 28.455 5.294 ( -9.341 -9.811 -1.472) 13.626 5.959 ( 1.936 12.841 10.779) 16.877 6.984 ( -15.947 -8.285 -30.875) 35.725 8.006 ( 10.228 -13.561 -2.784) 17.212 8.355 ( 8.046 -11.177 -2.529) 14.002 8.919 ( -18.612 3.295 -0.914) 18.923 9.255 ( 16.192 19.815 -6.559) 26.417 9.859 ( 9.842 1.688 13.813) 17.045 10.504 ( 16.442 -30.724 -25.491) 43.175 11.258 ( 36.467 20.982 -45.440) 61.926 11.924 ( -38.884 27.310 -31.097) 56.787 13.280 ( 28.382 -32.725 35.600) 56.069 14.391 ( -26.815 -15.025 32.983) 45.085 15.088 ( -9.927 31.767 23.326) 40.642 17.051 ( -12.740 3.049 -8.328) 15.523 17.779 ( -13.603 -8.738 10.310) 19.175 17.790 ( 11.925 -6.055 10.930) 17.273 18.692 ( 4.235 20.109 16.747) 26.510 21.847 ( -2.558 -10.891 -18.589) 21.696 22.396 ( 22.252 3.113 -15.734) 27.430 ======================= Grid point 182 (62/189) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( -25.407 -1.717 -12.648) 28.433 3.674 ( -28.374 -6.181 -4.442) 29.377 4.451 ( -25.746 -18.240 8.174) 32.594 4.701 ( -25.090 -11.907 8.574) 29.065 4.939 ( -21.419 -8.294 -1.852) 23.043 6.211 ( 8.300 6.944 5.250) 12.028 6.529 ( -16.578 -0.793 -8.617) 18.700 7.756 ( -10.054 -20.687 0.932) 23.020 8.362 ( -17.336 6.338 2.421) 18.617 8.860 ( 21.262 -5.117 -10.691) 24.343 9.671 ( 16.463 16.535 -5.604) 23.997 10.049 ( 9.634 -7.524 -0.976) 12.263 10.395 ( 8.623 -11.480 -6.695) 15.842 11.343 ( -32.653 20.388 -26.431) 46.696 11.849 ( 41.141 26.232 -47.212) 67.895 13.518 ( -1.453 -20.354 34.256) 39.874 14.128 ( -2.919 -19.741 23.402) 30.755 15.333 ( -3.599 15.101 18.926) 24.478 16.876 ( -11.097 6.186 0.645) 12.721 17.337 ( -24.071 -9.199 8.762) 27.217 18.212 ( 23.740 -4.988 10.845) 26.572 19.027 ( 2.883 15.953 12.458) 20.445 21.588 ( -4.912 -6.811 -14.423) 16.689 22.697 ( 21.461 4.806 -16.502) 27.495 ======================= Grid point 183 (63/189) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -30.199 -5.431 -7.201) 31.517 3.035 ( -34.276 -4.215 -9.326) 35.772 3.818 ( -34.359 -15.179 5.004) 37.894 4.197 ( -25.397 -13.475 9.580) 30.304 4.414 ( -30.621 -4.716 0.161) 30.983 6.139 ( -18.592 -3.919 2.727) 19.196 6.511 ( 5.894 3.320 11.630) 13.454 7.384 ( -13.210 -12.258 -1.138) 18.057 8.084 ( -17.991 1.468 0.029) 18.051 9.160 ( 23.034 -3.068 -7.588) 24.445 10.023 ( 8.111 -1.008 -4.136) 9.160 10.066 ( 10.616 6.510 -12.255) 17.472 10.421 ( -1.369 6.022 -1.559) 6.370 10.923 ( -15.474 7.792 -13.765) 22.128 12.493 ( 39.590 22.526 -39.768) 60.467 13.353 ( -19.232 -7.204 25.128) 32.453 14.163 ( 9.085 -16.291 11.790) 22.067 15.550 ( 5.909 -0.777 20.257) 21.116 16.766 ( -10.644 3.810 3.381) 11.800 16.922 ( -20.871 -7.013 5.582) 22.715 18.619 ( 21.475 -5.896 11.771) 25.189 19.257 ( 1.960 9.211 6.717) 11.568 21.360 ( -7.560 -2.334 -8.761) 11.805 22.988 ( 18.975 7.100 -16.060) 25.854 ======================= Grid point 184 (64/189) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -34.966 -1.096 8.311) 35.957 2.350 ( -40.576 4.412 -7.467) 41.492 3.114 ( -37.642 -11.925 10.702) 40.911 3.751 ( -23.176 -8.057 12.875) 27.709 3.883 ( -29.712 -3.294 8.808) 31.165 5.755 ( -26.541 -6.704 14.329) 30.898 6.681 ( 6.220 -3.341 5.963) 9.242 7.109 ( -10.586 -0.932 0.661) 10.647 7.818 ( -12.210 -1.062 -2.861) 12.585 9.454 ( 16.320 1.679 -1.417) 16.468 9.904 ( -7.934 6.141 -12.695) 16.181 10.302 ( 8.606 1.811 -6.315) 10.827 10.490 ( 2.957 15.939 -4.000) 16.697 10.786 ( 0.719 -4.343 -1.788) 4.751 12.867 ( 1.606 -11.297 4.334) 12.206 13.346 ( 15.715 24.656 -18.065) 34.369 14.217 ( 5.063 -8.295 4.994) 10.926 15.761 ( 8.476 -9.493 18.043) 22.080 16.565 ( -12.661 -5.535 -0.795) 13.841 16.638 ( -12.228 -0.384 3.631) 12.761 18.967 ( 17.350 -6.618 11.889) 22.049 19.352 ( 1.593 -0.321 -0.628) 1.743 21.176 ( -9.253 1.426 -2.115) 9.598 23.259 ( 15.205 9.821 -13.806) 22.766 ======================= Grid point 188 (65/189) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -0.000 15.596 33.492) 36.945 2.514 ( -0.000 10.326 37.687) 39.076 3.367 ( -0.000 -1.715 28.146) 28.198 4.182 ( -0.000 23.532 25.173) 34.459 4.224 ( -0.000 20.971 23.614) 31.582 6.234 ( -0.000 33.812 28.475) 44.205 6.992 ( -0.000 3.636 5.532) 6.620 7.149 ( -0.000 1.099 11.911) 11.962 7.466 ( 0.000 7.592 -8.318) 11.262 9.538 ( 0.000 -16.046 -3.027) 16.328 9.684 ( 0.000 -18.214 2.393) 18.371 10.073 ( 0.000 -6.096 -14.943) 16.138 10.437 ( 0.000 -18.352 2.960) 18.589 10.784 ( 0.000 2.610 -2.833) 3.852 12.432 ( 0.000 -58.319 -36.373) 68.732 13.437 ( -0.000 36.978 18.725) 41.448 14.329 ( -0.000 0.827 1.889) 2.062 16.157 ( 0.000 25.273 -10.906) 27.526 16.523 ( -0.000 12.579 0.523) 12.590 16.627 ( -0.000 9.877 21.065) 23.265 19.176 ( 0.000 5.804 -13.405) 14.607 19.322 ( 0.000 2.270 -6.075) 6.485 21.169 ( -0.000 -5.067 7.674) 9.196 22.953 ( 0.000 -30.018 -11.465) 32.133 ======================= Grid point 189 (66/189) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 8.831 15.468 27.219) 32.529 3.018 ( 16.489 8.551 27.073) 32.832 3.659 ( 18.243 -3.563 26.170) 32.100 4.579 ( -0.817 24.547 22.205) 33.111 4.639 ( 5.180 22.766 21.674) 31.857 6.734 ( -0.380 28.698 23.167) 36.884 6.845 ( -17.209 1.567 4.735) 17.917 7.463 ( 17.025 4.234 12.985) 21.826 7.542 ( 5.087 9.567 -4.309) 11.661 9.349 ( 0.982 -13.823 -11.891) 18.260 9.513 ( 1.117 -21.495 -0.912) 21.544 9.790 ( -8.509 -8.491 -19.044) 22.521 10.452 ( 14.932 -17.127 3.348) 22.968 10.786 ( 1.684 -2.516 1.395) 3.333 11.641 ( 5.338 -59.551 -36.188) 69.888 13.934 ( -3.990 41.828 22.644) 47.731 14.315 ( -4.528 2.954 2.083) 5.793 16.091 ( -20.593 23.442 -12.609) 33.654 16.722 ( 2.992 6.038 11.008) 12.907 17.003 ( 10.437 19.236 19.503) 29.314 18.969 ( -17.173 7.933 -18.124) 26.198 19.299 ( -2.959 -1.879 0.168) 3.509 21.192 ( 6.204 -8.350 3.302) 10.914 22.595 ( 5.040 -32.903 -15.912) 36.894 ======================= Grid point 190 (67/189) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( 19.372 7.887 19.799) 28.800 3.549 ( 19.571 9.070 17.789) 27.960 4.228 ( 25.612 6.098 22.346) 34.532 4.887 ( -4.852 20.651 15.852) 26.482 5.103 ( 7.892 21.236 18.482) 29.237 6.570 ( -19.681 -0.129 6.040) 20.587 7.015 ( -3.644 13.309 11.273) 17.818 7.728 ( 8.736 14.978 -11.279) 20.685 7.960 ( 19.032 3.178 26.020) 32.394 9.067 ( -5.540 -14.178 -24.878) 29.166 9.290 ( -0.125 -22.886 -4.164) 23.262 9.507 ( 2.959 -5.585 -20.821) 21.759 10.484 ( -0.127 -4.330 -5.383) 6.909 10.784 ( 12.445 -35.653 -11.636) 39.515 11.137 ( 21.086 -38.651 -3.835) 44.195 14.141 ( -16.378 16.377 -6.189) 23.974 14.522 ( -4.170 40.194 28.251) 49.306 15.863 ( -20.947 17.894 -7.478) 28.547 16.861 ( -0.417 -2.119 19.332) 19.452 17.530 ( 10.577 24.097 19.329) 32.652 18.564 ( -23.408 7.248 -20.452) 31.918 19.168 ( -10.496 -6.250 6.744) 13.954 21.263 ( 12.666 -9.120 -3.793) 16.062 22.272 ( 8.287 -31.364 -21.114) 38.706 ======================= Grid point 191 (68/189) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.769 ( 21.462 0.048 14.900) 26.127 4.072 ( 16.387 9.462 16.276) 24.959 4.811 ( 5.381 17.477 15.657) 24.074 5.043 ( 4.246 12.940 1.384) 13.689 5.530 ( 6.649 15.488 15.293) 22.759 6.286 ( -20.068 -0.222 12.326) 23.552 7.095 ( 0.918 1.511 3.445) 3.872 7.810 ( -0.242 -2.682 -21.424) 21.592 8.417 ( 15.524 -2.870 14.209) 21.239 8.709 ( -4.141 -2.724 -20.651) 21.237 9.076 ( 3.244 -15.219 6.126) 16.723 9.485 ( 14.854 -1.718 -26.446) 30.381 10.300 ( -1.162 -16.458 -16.371) 23.243 10.471 ( 6.162 -19.306 -20.072) 28.524 11.430 ( 35.896 -33.388 25.359) 55.194 13.852 ( -28.553 21.083 -19.645) 40.567 15.049 ( -7.630 44.104 30.674) 54.261 15.649 ( -20.188 8.405 7.684) 23.178 16.949 ( 2.265 -7.501 19.678) 21.181 18.060 ( 5.215 24.152 16.688) 29.816 18.087 ( -21.290 6.598 -15.732) 27.282 18.922 ( -16.626 -8.662 10.225) 21.354 21.396 ( 18.832 -7.747 -11.040) 23.164 21.983 ( 9.345 -27.412 -23.996) 37.610 ======================= Grid point 192 (69/189) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.126 ( 6.135 2.902 9.056) 11.316 4.475 ( 12.599 2.574 15.929) 20.472 4.774 ( -16.969 5.862 0.825) 17.972 5.384 ( 6.278 13.082 -6.188) 15.775 5.743 ( -8.024 1.232 19.811) 21.410 6.136 ( -10.711 9.982 16.350) 21.947 7.160 ( 13.500 -11.694 -10.245) 20.591 7.434 ( -6.777 -9.819 -24.461) 27.215 8.409 ( -4.542 -24.080 -4.402) 24.897 8.739 ( 14.395 15.383 -8.095) 22.570 9.277 ( 8.426 1.865 15.931) 18.118 9.582 ( 16.442 1.627 -20.928) 26.664 9.981 ( 0.857 -21.074 -19.079) 28.440 10.397 ( 11.551 2.511 -22.284) 25.225 11.937 ( 39.857 -34.805 32.431) 62.062 13.351 ( -37.202 25.029 -29.044) 53.423 15.342 ( -20.797 -1.831 24.604) 32.268 15.538 ( -17.257 36.075 24.546) 46.923 17.095 ( 11.209 -7.840 14.081) 19.631 17.650 ( -20.212 5.635 -11.977) 24.161 18.540 ( 3.849 22.096 18.105) 28.824 18.585 ( -19.824 -8.105 11.408) 24.266 21.602 ( 23.562 -4.929 -15.983) 28.895 21.740 ( 9.045 -21.437 -23.419) 33.012 ======================= Grid point 193 (70/189) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.066 ( -20.581 8.433 -4.301) 22.653 4.490 ( -18.791 0.111 3.414) 19.099 4.788 ( 9.954 -7.255 11.559) 16.891 5.270 ( -7.913 -9.854 -9.549) 15.840 5.579 ( -24.488 -4.787 20.472) 32.276 6.242 ( -7.748 14.125 10.888) 19.445 6.957 ( -5.731 -0.512 -23.890) 24.574 7.525 ( 26.635 -5.045 -3.834) 27.378 8.083 ( -1.194 -24.659 -2.350) 24.799 9.100 ( 15.574 15.553 -10.913) 24.567 9.327 ( -13.654 4.804 3.504) 14.893 9.698 ( 6.636 -14.230 -11.745) 19.608 9.879 ( 20.207 -1.940 -2.802) 20.492 10.620 ( 26.665 15.695 -35.110) 46.798 12.461 ( 19.036 -14.839 18.283) 30.280 12.777 ( -20.039 6.578 -14.279) 25.470 14.974 ( -30.693 -14.676 31.462) 46.339 15.711 ( -16.533 24.963 12.999) 32.641 17.289 ( -3.677 6.398 0.042) 7.380 17.461 ( 8.098 -3.875 9.220) 12.868 18.177 ( -24.277 -9.355 10.370) 28.008 18.930 ( 3.244 18.515 14.069) 23.479 21.560 ( 7.132 -13.550 -19.505) 24.798 21.885 ( 25.959 -0.512 -17.508) 31.316 ======================= Grid point 194 (71/189) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( -28.985 6.726 -7.335) 30.646 4.095 ( -28.194 -0.067 -4.697) 28.583 4.662 ( -15.407 -15.586 5.515) 22.598 5.037 ( -10.766 -10.210 -1.311) 14.895 5.209 ( -22.216 -7.350 19.732) 30.609 6.233 ( -4.567 7.336 -7.427) 11.395 6.797 ( -11.510 8.498 5.517) 15.334 7.685 ( -2.806 -16.032 0.834) 16.297 8.132 ( 32.930 -4.881 -5.982) 33.823 8.948 ( -26.537 2.447 -2.875) 26.804 9.492 ( 16.730 11.604 -6.872) 21.489 9.709 ( 13.900 -6.914 -10.184) 18.567 10.172 ( 13.023 -1.490 6.472) 14.619 11.105 ( 37.073 25.615 -44.390) 63.253 12.012 ( -39.514 25.020 -32.328) 56.854 13.133 ( 34.078 -30.943 37.786) 59.553 14.493 ( -30.601 -18.308 30.402) 46.860 15.671 ( -12.828 9.341 5.261) 16.718 17.187 ( -13.928 8.776 2.423) 16.640 17.731 ( -25.366 -7.973 8.492) 27.913 17.809 ( 24.336 -7.816 11.531) 28.041 19.189 ( 2.173 10.293 7.522) 12.933 21.454 ( 3.146 -4.097 -13.096) 14.078 22.229 ( 25.628 4.754 -16.447) 30.820 ======================= Grid point 195 (72/189) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( -31.580 6.766 1.273) 32.322 3.532 ( -32.408 2.911 -8.517) 33.635 4.229 ( -25.067 -8.851 4.420) 26.949 4.614 ( -26.020 -10.664 12.575) 30.804 4.876 ( -25.636 -2.390 5.824) 26.398 6.222 ( 3.445 1.682 -7.402) 8.335 6.733 ( -14.351 1.421 20.925) 25.413 7.447 ( -7.704 -8.755 -0.787) 11.689 8.481 ( -26.258 0.008 -3.526) 26.494 8.659 ( 30.561 3.262 -1.466) 30.770 9.817 ( 12.068 0.808 -2.272) 12.307 9.850 ( 14.933 8.426 -11.684) 20.748 10.372 ( 8.809 -2.114 5.275) 10.483 11.339 ( -28.786 18.697 -29.998) 45.586 11.808 ( 35.718 29.893 -40.787) 61.911 13.569 ( 14.589 -18.480 31.952) 39.690 14.046 ( -17.127 -21.212 23.037) 35.693 15.604 ( -3.304 -2.481 8.751) 9.678 17.000 ( -13.681 -1.290 -1.920) 13.876 17.297 ( -24.415 -4.527 8.026) 26.096 18.231 ( 24.943 -7.897 11.392) 28.535 19.297 ( 1.808 -0.006 -0.396) 1.851 21.400 ( -2.345 4.155 -6.362) 7.952 22.611 ( 22.998 9.847 -14.061) 28.698 ======================= Grid point 196 (73/189) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -32.067 11.720 14.897) 37.250 3.004 ( -32.641 10.399 -4.228) 34.517 3.701 ( -33.768 -4.001 7.144) 34.747 4.209 ( -24.542 -3.091 16.711) 29.852 4.428 ( -29.214 0.574 6.787) 29.998 6.194 ( -11.754 0.639 8.394) 14.458 6.607 ( -5.682 -10.262 10.794) 15.940 7.302 ( -8.151 4.364 4.235) 10.170 8.053 ( -19.559 -1.435 -4.781) 20.186 9.184 ( 23.444 9.252 3.661) 25.468 9.919 ( 3.947 5.300 -10.386) 12.309 10.104 ( 10.732 2.264 -7.238) 13.142 10.540 ( 8.061 3.109 5.450) 10.215 10.881 ( -19.899 12.330 -17.799) 29.408 12.456 ( 33.370 22.070 -31.178) 50.722 13.501 ( -16.490 -5.965 13.979) 22.426 14.021 ( 12.624 -15.697 15.481) 25.405 15.623 ( 5.292 -15.577 13.862) 21.513 16.691 ( -12.573 -5.854 -7.345) 15.694 16.947 ( -20.106 -2.509 8.731) 22.063 18.629 ( 22.403 -8.267 10.916) 26.257 19.248 ( 1.612 -9.655 -7.862) 12.555 21.358 ( -7.463 8.683 -0.868) 11.482 22.993 ( 19.064 12.521 -11.766) 25.664 ======================= Grid point 201 (74/189) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( -0.000 12.128 27.975) 30.491 3.115 ( -0.000 8.314 21.808) 23.339 3.566 ( -0.000 -11.875 28.923) 31.266 4.976 ( -0.000 26.491 19.003) 32.602 5.008 ( -0.000 27.922 21.641) 35.327 7.129 ( -0.000 22.418 -2.361) 22.542 7.243 ( -0.000 11.207 31.542) 33.474 7.298 ( -0.000 3.583 2.246) 4.228 7.555 ( -0.000 6.224 1.436) 6.387 9.116 ( 0.000 -16.618 -12.127) 20.572 9.264 ( 0.000 -24.566 -1.794) 24.632 9.623 ( 0.000 -17.901 -25.941) 31.518 10.109 ( 0.000 -20.602 5.231) 21.256 10.755 ( 0.000 -34.367 -20.574) 40.054 10.840 ( 0.000 -17.168 -12.118) 21.013 14.356 ( -0.000 1.067 3.198) 3.372 14.595 ( -0.000 45.363 29.686) 54.213 16.466 ( 0.000 23.539 -15.475) 28.170 16.772 ( -0.000 12.609 -0.392) 12.615 17.267 ( -0.000 19.098 30.739) 36.189 19.108 ( 0.000 7.380 -16.279) 17.873 19.286 ( 0.000 2.323 -5.901) 6.342 21.043 ( 0.000 -14.804 2.071) 14.948 22.069 ( 0.000 -41.728 -15.885) 44.649 ======================= Grid point 202 (75/189) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( 2.589 1.485 21.900) 22.102 3.426 ( 14.831 8.407 13.083) 21.489 3.937 ( 26.350 -5.253 30.752) 40.836 5.339 ( -5.291 25.300 16.799) 30.826 5.391 ( -0.250 28.545 15.578) 32.520 6.969 ( -19.871 5.327 4.219) 21.001 7.380 ( -12.653 11.883 13.094) 21.743 7.592 ( 13.946 12.693 -13.904) 23.429 7.840 ( 15.352 -0.094 22.069) 26.884 8.836 ( -2.956 -15.240 -20.549) 25.754 9.016 ( 1.512 -25.004 -3.555) 25.301 9.185 ( 2.995 -25.069 -28.083) 37.764 9.991 ( 6.028 -30.443 -7.887) 32.021 10.329 ( 14.949 -28.647 -4.320) 32.600 10.808 ( -1.695 0.986 -0.762) 2.104 14.351 ( -3.495 1.335 1.532) 4.043 15.244 ( -3.685 49.890 31.871) 59.315 16.342 ( -20.894 22.765 -16.887) 35.214 16.966 ( 3.334 4.435 9.883) 11.334 17.750 ( 7.940 24.853 25.895) 36.759 18.881 ( -18.965 9.120 -20.496) 29.375 19.267 ( -2.836 -1.602 0.166) 3.262 20.939 ( 7.132 -17.913 -2.555) 19.449 21.612 ( 9.254 -43.348 -19.066) 48.251 ======================= Grid point 203 (76/189) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.526 ( 15.369 -4.659 16.378) 22.938 3.914 ( 21.892 7.269 11.953) 25.980 4.613 ( 32.487 3.504 20.690) 38.675 5.440 ( -17.668 18.927 5.894) 26.554 5.737 ( -0.762 24.326 8.097) 25.650 6.735 ( -19.720 2.791 15.184) 25.045 7.309 ( -13.893 6.572 7.329) 17.027 7.598 ( -2.192 -12.065 -26.538) 29.234 8.165 ( 17.432 -5.555 6.082) 19.280 8.567 ( -0.870 -8.831 -19.630) 21.543 8.898 ( 10.046 -9.006 8.075) 15.723 8.982 ( 14.223 -16.364 -20.015) 29.508 9.722 ( 7.014 -21.816 -17.056) 28.566 10.428 ( 10.874 -11.212 2.014) 15.749 10.829 ( 11.548 -14.008 11.883) 21.697 14.257 ( -12.542 7.925 -6.387) 16.152 15.782 ( -10.857 39.188 18.594) 44.714 16.141 ( -17.712 27.443 -1.303) 32.688 17.053 ( -3.718 -6.071 20.937) 22.115 18.306 ( 8.499 26.310 20.869) 34.641 18.444 ( -24.706 8.213 -20.358) 33.050 19.139 ( -10.625 -6.105 6.941) 14.084 20.915 ( 15.289 -16.677 -9.502) 24.539 21.291 ( 15.820 -37.367 -22.754) 46.522 ======================= Grid point 204 (77/189) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.897 ( 21.637 -5.846 13.570) 26.200 4.391 ( 17.274 2.799 12.703) 21.624 5.200 ( -22.122 8.898 -1.344) 23.882 5.319 ( 21.212 16.472 0.940) 26.873 5.877 ( -2.637 6.333 0.778) 6.904 6.555 ( -18.733 -1.170 20.447) 27.756 6.997 ( -12.385 -10.440 -13.355) 20.994 7.372 ( -4.221 3.657 -3.134) 6.404 8.182 ( -1.682 -26.393 -7.632) 27.526 8.530 ( 16.739 8.778 -14.508) 23.827 8.977 ( 18.337 -11.240 -15.490) 26.505 9.249 ( 15.619 5.863 11.043) 20.007 9.619 ( 10.794 -8.090 -15.723) 20.716 10.385 ( -6.784 3.561 -7.429) 10.672 11.160 ( 35.326 -31.138 29.454) 55.543 13.956 ( -27.493 17.270 -20.277) 38.279 15.762 ( -15.827 6.006 3.964) 17.386 16.329 ( -18.083 36.993 18.115) 44.985 17.044 ( -2.146 -11.652 22.303) 25.255 18.008 ( -21.812 8.510 -11.901) 26.264 18.789 ( 5.375 21.788 16.356) 27.769 18.889 ( -16.937 -8.394 9.770) 21.279 21.021 ( 23.187 -11.240 -15.005) 29.818 21.121 ( 18.411 -25.349 -21.723) 38.124 ======================= Grid point 205 (78/189) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.255 ( 12.733 -3.151 10.491) 16.797 4.688 ( 6.707 -0.537 12.097) 13.842 4.806 ( -23.253 4.076 -5.745) 24.297 5.335 ( -18.504 0.443 -17.789) 25.672 6.045 ( -13.668 -0.534 18.726) 23.190 6.396 ( 14.941 -3.886 1.335) 15.496 6.796 ( -3.661 10.082 -12.176) 16.226 7.351 ( -4.563 4.333 8.640) 10.689 7.838 ( -1.149 -25.777 -6.019) 26.495 8.822 ( 20.338 6.310 -14.289) 25.644 9.151 ( 18.119 -2.009 -8.845) 20.262 9.603 ( 12.229 10.335 -17.905) 24.020 9.657 ( 3.917 -2.315 12.475) 13.279 10.293 ( 3.030 8.489 -16.774) 19.043 11.742 ( 42.384 -32.597 38.393) 65.825 13.417 ( -38.170 22.961 -31.264) 54.421 15.500 ( -23.875 -9.728 20.647) 33.029 16.307 ( -23.328 18.162 1.759) 29.616 17.121 ( 10.027 -10.245 15.857) 21.376 17.741 ( -16.873 9.291 -0.386) 19.265 18.544 ( -21.492 -8.519 9.599) 25.033 19.107 ( 2.717 11.726 8.915) 14.979 21.111 ( 17.148 -10.672 -15.276) 25.324 21.308 ( 27.911 -0.755 -14.878) 31.638 ======================= Grid point 206 (79/189) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.184 ( -25.050 8.081 -1.927) 26.392 4.524 ( -19.748 2.854 1.513) 20.010 4.753 ( -5.545 -12.027 7.445) 15.192 4.959 ( -0.111 -2.935 -8.313) 8.816 5.692 ( -25.676 -9.300 19.445) 33.524 6.390 ( -13.984 3.262 -14.178) 20.179 7.056 ( 8.607 14.999 4.814) 17.950 7.518 ( 21.348 -3.973 6.936) 22.796 7.589 ( -1.075 -11.664 -2.525) 11.982 9.144 ( 15.030 8.731 -11.987) 21.114 9.345 ( 9.092 -2.836 -6.495) 11.528 9.484 ( -9.328 6.846 0.349) 11.576 9.962 ( 15.336 0.632 3.489) 15.741 10.528 ( 26.647 21.460 -32.799) 47.396 12.420 ( 38.844 -26.709 39.137) 61.270 12.747 ( -38.701 20.818 -32.271) 54.521 15.047 ( -31.655 -19.113 28.487) 46.678 16.019 ( -19.801 4.379 -4.894) 20.862 17.378 ( 15.506 -5.217 8.637) 18.500 17.535 ( -10.608 -2.164 0.787) 10.855 18.144 ( -24.378 -6.425 9.749) 27.030 19.230 ( 2.122 -0.263 -0.283) 2.157 21.256 ( 11.447 4.195 -6.590) 13.858 21.737 ( 28.227 8.465 -11.964) 31.805 ======================= Grid point 207 (80/189) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( -28.417 9.193 3.131) 30.031 4.058 ( -30.798 4.666 -7.274) 31.988 4.554 ( -15.248 -3.888 8.762) 18.010 4.897 ( -8.329 -6.492 4.882) 11.634 5.334 ( -24.148 -5.861 17.988) 30.676 6.130 ( -2.637 0.443 -14.415) 14.661 7.115 ( -12.382 -2.464 15.329) 19.859 7.501 ( -2.655 4.371 2.613) 5.743 8.111 ( 34.144 6.058 0.606) 34.683 8.937 ( -23.565 1.498 -4.568) 24.050 9.567 ( 14.304 4.244 -13.826) 20.342 9.649 ( 13.689 9.078 5.043) 17.183 10.198 ( 12.210 -4.244 6.504) 14.471 11.100 ( 35.909 32.560 -41.011) 63.494 12.035 ( -38.412 22.427 -33.277) 55.550 13.108 ( 35.847 -25.117 40.010) 59.302 14.479 ( -32.607 -22.675 27.327) 48.209 15.716 ( -11.343 -6.440 -2.672) 13.315 17.166 ( -15.434 -6.047 -9.712) 19.211 17.740 ( -24.430 -4.582 11.190) 27.259 17.798 ( 24.342 -8.285 10.637) 27.827 19.183 ( 2.265 -10.470 -8.190) 13.484 21.449 ( 3.211 13.159 -0.859) 13.573 22.233 ( 25.606 13.559 -9.691) 30.552 ======================= Grid point 208 (81/189) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( -26.320 9.750 12.124) 30.574 3.590 ( -27.594 9.437 -2.863) 29.303 4.236 ( -25.759 -2.762 9.315) 27.531 4.680 ( -18.526 1.439 12.995) 22.675 4.958 ( -26.803 0.488 8.843) 28.229 6.132 ( 9.462 -3.901 -4.462) 11.165 6.920 ( -18.489 -1.492 13.801) 23.120 7.548 ( -7.416 11.196 11.169) 17.467 8.332 ( -16.749 -3.076 -7.127) 18.460 8.904 ( 22.244 11.352 5.541) 25.580 9.695 ( 12.921 0.422 -19.480) 23.380 9.959 ( 8.750 2.396 2.810) 9.497 10.453 ( 10.764 6.197 11.293) 16.787 11.324 ( -25.662 23.170 -30.849) 46.336 11.907 ( 32.489 30.670 -33.628) 55.920 13.656 ( 24.601 -16.709 29.523) 41.904 13.898 ( -27.989 -22.886 20.447) 41.535 15.462 ( -1.957 -23.057 0.365) 23.142 16.805 ( -12.788 -1.430 -9.197) 15.816 17.358 ( -23.968 -4.766 12.362) 27.386 18.213 ( 25.008 -7.972 8.889) 27.713 19.013 ( 2.539 -16.852 -12.758) 21.289 21.581 ( -4.776 15.460 1.328) 16.235 22.706 ( 21.549 13.485 -9.554) 27.157 ======================= Grid point 214 (82/189) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( -0.000 0.674 1.659) 1.791 3.526 ( -0.000 4.619 22.262) 22.736 3.802 ( -0.000 -12.804 40.059) 42.055 5.734 ( -0.000 29.338 11.838) 31.637 5.816 ( -0.000 28.961 15.611) 32.900 7.318 ( 0.000 6.873 -18.853) 20.067 7.389 ( -0.000 9.946 2.565) 10.272 7.662 ( -0.000 -9.913 13.348) 16.627 7.819 ( -0.000 7.012 13.795) 15.475 8.560 ( 0.000 -30.834 -36.596) 47.854 8.631 ( 0.000 -12.044 -12.499) 17.357 8.749 ( 0.000 -27.162 2.896) 27.315 9.786 ( -0.000 -20.535 6.800) 21.631 9.848 ( 0.000 -20.900 -8.267) 22.475 10.846 ( 0.000 3.626 -2.871) 4.625 14.385 ( -0.000 -1.941 4.103) 4.538 15.997 ( -0.000 51.965 32.105) 61.083 16.663 ( 0.000 18.489 -16.151) 24.550 17.004 ( -0.000 13.076 -0.389) 13.081 18.113 ( -0.000 24.448 29.934) 38.649 19.021 ( 0.000 8.192 -20.332) 21.920 19.258 ( 0.000 2.683 -5.604) 6.214 20.654 ( 0.000 -24.163 -2.650) 24.308 20.934 ( 0.000 -51.949 -15.552) 54.227 ======================= Grid point 215 (83/189) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( 6.152 -5.504 8.069) 11.543 3.740 ( 11.113 2.273 14.412) 18.341 4.223 ( 27.902 -9.080 30.619) 42.408 5.967 ( -14.847 22.992 4.759) 27.780 6.107 ( -6.128 28.200 4.760) 29.248 7.123 ( -9.057 1.058 -5.021) 10.409 7.343 ( -6.050 -12.529 -8.184) 16.142 7.680 ( -16.012 4.658 2.037) 16.800 7.822 ( 15.375 -11.387 2.049) 19.242 8.273 ( 8.485 -12.582 -22.089) 26.800 8.492 ( 4.492 -15.743 -7.068) 17.832 8.729 ( 14.267 -4.189 14.002) 20.424 9.475 ( -5.082 -12.354 -7.334) 15.239 9.939 ( 21.744 -21.557 9.175) 31.964 10.829 ( -3.493 2.463 -1.923) 4.688 14.382 ( -1.822 -0.508 2.016) 2.764 16.392 ( -20.888 25.288 -10.696) 34.499 16.758 ( -3.892 39.068 16.802) 42.705 17.184 ( -1.004 9.608 10.919) 14.579 18.587 ( 4.924 24.781 23.728) 34.661 18.753 ( -19.142 6.252 -23.440) 30.902 19.244 ( -2.922 -1.256 0.724) 3.262 20.441 ( 10.440 -32.773 -8.519) 35.435 20.485 ( 14.014 -38.724 -11.859) 42.855 ======================= Grid point 216 (84/189) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( 16.739 -8.180 11.982) 22.151 4.119 ( 21.700 -0.075 7.681) 23.019 4.873 ( 36.333 -4.900 18.697) 41.155 5.752 ( -27.647 15.101 -6.687) 32.204 6.114 ( -15.926 12.099 -12.311) 23.486 6.853 ( -13.327 -10.555 -6.166) 18.084 7.153 ( -11.401 5.806 15.875) 20.388 7.609 ( -8.078 7.832 8.920) 14.358 7.822 ( 7.172 -20.730 -13.875) 25.955 8.195 ( 9.640 -3.434 -15.304) 18.410 8.533 ( 17.443 -4.136 -5.577) 18.774 9.117 ( 16.279 2.311 14.109) 21.666 9.337 ( 5.198 -2.204 -10.117) 11.586 10.219 ( 23.395 -18.387 13.286) 32.587 10.781 ( 0.170 -4.246 5.379) 6.855 14.299 ( -10.805 5.359 -6.681) 13.787 16.109 ( -19.623 15.753 -16.850) 30.284 17.042 ( -10.623 12.982 15.560) 22.880 17.240 ( -16.912 12.202 12.876) 24.510 18.336 ( -17.720 4.086 -12.228) 21.913 19.001 ( 3.326 16.156 12.802) 20.880 19.114 ( -11.090 -6.122 7.570) 14.758 20.362 ( 24.630 -23.623 -12.335) 36.289 20.462 ( 20.391 -15.003 -8.198) 26.610 ======================= Grid point 217 (85/189) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.924 ( 23.018 -8.483 11.999) 27.309 4.498 ( 18.713 -5.464 6.845) 20.661 5.278 ( -20.977 5.225 -5.864) 22.400 5.573 ( 2.759 11.954 -4.744) 13.153 5.792 ( 5.706 -2.924 -9.476) 11.441 6.476 ( -19.141 -6.953 3.291) 20.628 7.123 ( -17.134 11.405 5.989) 21.437 7.469 ( 2.350 -24.291 -7.833) 25.631 7.694 ( -8.531 8.169 11.603) 16.557 8.423 ( 22.561 7.248 -11.135) 26.182 8.799 ( 17.922 1.449 -5.340) 18.756 9.394 ( 11.324 14.545 -14.114) 23.216 9.522 ( 15.412 -5.955 11.427) 20.089 10.347 ( -4.013 1.975 -4.896) 6.632 11.036 ( 33.238 -24.196 33.259) 52.880 13.984 ( -26.987 14.447 -21.899) 37.637 15.851 ( -15.719 1.873 -0.870) 15.854 16.847 ( -27.360 7.069 -10.047) 29.992 17.074 ( -4.426 -14.818 18.443) 24.069 18.076 ( -16.152 3.872 -3.001) 16.878 18.859 ( -17.041 -6.845 9.742) 20.788 19.162 ( 1.791 -0.592 -0.144) 1.892 20.634 ( 24.582 1.465 -2.736) 24.777 20.776 ( 27.260 3.911 -5.175) 28.021 ======================= Grid point 218 (86/189) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.291 ( 17.488 -7.957 11.234) 22.256 4.669 ( 5.323 -12.073 3.311) 13.604 4.895 ( -22.450 7.331 -1.170) 23.646 5.173 ( -25.876 9.317 -17.462) 32.578 6.079 ( -12.524 -12.457 8.859) 19.761 6.333 ( 15.060 0.505 -4.445) 15.711 6.932 ( -1.987 7.204 -1.416) 7.606 7.286 ( 2.845 -10.795 -7.353) 13.367 7.804 ( -7.294 14.241 22.071) 27.260 8.795 ( 21.074 6.754 -19.163) 29.274 9.119 ( 16.235 9.099 6.017) 19.560 9.660 ( 6.972 15.485 -12.238) 20.932 9.747 ( 10.542 -8.213 11.808) 17.833 10.257 ( 2.356 13.092 -18.519) 22.802 11.718 ( 42.913 -25.830 43.339) 66.234 13.408 ( -38.144 20.458 -33.564) 54.773 15.520 ( -24.465 -14.640 17.968) 33.700 16.308 ( -22.480 -7.376 -16.642) 28.926 17.108 ( 10.926 -11.728 14.442) 21.576 17.744 ( -18.282 -3.041 -9.589) 20.867 18.547 ( -21.307 -5.529 12.052) 25.096 19.097 ( 2.823 -12.274 -9.435) 15.737 21.104 ( 17.175 17.301 4.645) 24.817 21.314 ( 27.884 13.943 -3.702) 31.394 ======================= Grid point 219 (87/189) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.276 ( -17.119 -1.249 3.260) 17.471 4.463 ( -18.447 -7.459 -6.580) 20.958 4.771 ( -2.486 2.279 9.967) 10.522 4.900 ( -3.811 0.976 -3.091) 5.003 5.769 ( -19.856 -8.525 15.621) 26.664 6.137 ( -10.997 -7.951 -13.706) 19.287 7.237 ( -0.736 3.326 -1.532) 3.735 7.421 ( 29.952 13.170 1.248) 32.743 7.984 ( -4.539 14.306 22.091) 26.707 8.961 ( 12.286 -0.501 -23.974) 26.944 9.499 ( -3.604 2.983 4.897) 6.773 9.626 ( 1.324 9.312 3.040) 9.885 9.996 ( 15.455 2.138 11.894) 19.619 10.607 ( 29.123 31.161 -32.330) 53.520 12.488 ( 40.877 -23.673 43.764) 64.395 12.699 ( -40.712 21.508 -37.011) 59.075 14.989 ( -32.469 -23.829 25.840) 47.851 15.757 ( -14.198 -20.197 -16.149) 29.500 17.321 ( -16.133 -0.719 -11.529) 19.842 17.384 ( 19.792 -9.062 9.014) 23.560 18.194 ( -24.148 -5.812 13.693) 28.362 18.915 ( 3.413 -18.793 -14.345) 23.887 21.549 ( 7.238 22.379 5.897) 24.248 21.893 ( 25.909 16.041 -4.756) 30.842 ======================= Grid point 220 (88/189) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.992 ( -19.151 0.807 8.732) 21.063 4.036 ( -20.687 0.915 -3.929) 21.077 4.611 ( -16.792 -0.926 2.727) 17.037 4.957 ( -1.727 -1.251 12.175) 12.361 5.432 ( -22.581 -3.901 9.827) 24.934 5.909 ( 3.319 -8.344 -7.516) 11.710 7.266 ( -8.816 16.163 3.985) 18.837 7.882 ( 0.880 12.487 14.225) 18.949 8.288 ( 12.524 8.021 3.939) 15.385 8.880 ( -3.431 0.187 -6.675) 7.508 9.360 ( 3.667 -1.311 -17.558) 17.985 9.792 ( 9.371 -11.188 3.412) 14.988 10.528 ( 12.388 27.947 21.051) 37.117 11.260 ( 33.038 36.900 -37.704) 62.247 12.015 ( -33.251 20.966 -31.566) 50.415 13.178 ( 33.415 -22.515 36.492) 54.361 14.348 ( -33.523 -25.994 24.974) 49.226 15.211 ( -6.539 -34.455 -14.717) 38.033 17.006 ( -14.258 7.978 -7.218) 17.862 17.765 ( 24.659 -7.090 6.886) 26.566 17.811 ( -24.716 -6.546 14.805) 29.545 18.675 ( 4.013 -21.709 -15.291) 26.855 21.835 ( -2.393 20.832 3.648) 21.283 22.407 ( 22.309 13.140 -7.589) 26.981 ======================= Grid point 227 (89/189) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 0.000 -2.382 -1.764) 2.965 3.785 ( -0.000 -4.222 15.945) 16.495 4.031 ( -0.000 -17.122 36.697) 40.495 6.353 ( -0.000 24.662 -3.372) 24.891 6.509 ( -0.000 26.656 4.703) 27.068 6.896 ( 0.000 -5.999 -26.199) 26.877 7.394 ( 0.000 -17.972 -4.972) 18.647 7.601 ( -0.000 -16.752 17.352) 24.118 7.876 ( 0.000 -5.167 -16.862) 17.635 7.895 ( 0.000 10.737 -5.333) 11.989 8.514 ( -0.000 -9.192 13.030) 15.946 8.518 ( -0.000 -1.826 8.881) 9.067 9.491 ( 0.000 -9.250 -2.089) 9.483 9.518 ( -0.000 -16.397 8.652) 18.540 10.872 ( 0.000 3.059 -3.206) 4.431 14.393 ( -0.000 -2.765 3.941) 4.814 16.755 ( 0.000 14.395 -18.015) 23.060 16.948 ( -0.000 12.406 -0.048) 12.407 17.680 ( -0.000 50.329 17.835) 53.396 18.787 ( 0.000 -2.996 -31.751) 31.892 18.919 ( -0.000 19.550 19.011) 27.270 19.244 ( 0.000 3.410 -5.048) 6.092 19.802 ( 0.000 -46.367 5.462) 46.687 20.098 ( 0.000 -27.022 0.817) 27.035 ======================= Grid point 228 (90/189) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( 9.103 -5.756 3.053) 11.195 3.863 ( 9.508 -6.706 10.369) 15.585 4.365 ( 27.449 -16.215 27.181) 41.895 6.310 ( -25.901 13.576 -8.278) 30.392 6.405 ( -15.069 12.964 -15.881) 25.443 6.888 ( -3.061 1.955 -8.354) 9.109 7.250 ( 13.009 -20.988 -16.020) 29.434 7.470 ( -0.848 -6.308 12.749) 14.249 7.838 ( 1.084 14.584 3.450) 15.026 8.134 ( -2.457 7.718 2.324) 8.426 8.266 ( 0.087 -8.320 4.797) 9.605 8.882 ( 20.400 -5.763 13.862) 25.328 9.293 ( -4.486 1.043 -2.258) 5.129 9.733 ( 22.014 -14.330 15.286) 30.391 10.843 ( -3.841 1.954 -2.517) 4.990 14.385 ( -1.308 -1.458 1.315) 2.359 16.498 ( -22.165 15.974 -22.980) 35.700 17.122 ( 5.458 -2.906 5.190) 8.073 17.851 ( -24.815 11.456 -25.163) 37.152 18.515 ( -8.106 8.222 -1.696) 11.670 19.111 ( 0.991 -0.341 0.111) 1.054 19.236 ( -3.715 -2.050 2.204) 4.781 19.760 ( 21.341 -11.067 13.479) 27.560 20.055 ( 12.681 -7.505 11.710) 18.822 ======================= Grid point 229 (91/189) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.548 ( 18.694 -8.909 8.485) 22.379 4.111 ( 20.963 -7.854 2.579) 22.535 4.897 ( 34.713 -14.238 12.792) 39.640 5.884 ( -24.682 4.006 -6.680) 25.882 6.058 ( -24.007 8.985 -20.012) 32.520 6.717 ( -12.421 -3.845 -0.522) 13.013 7.054 ( 7.573 -13.936 -16.373) 22.795 7.585 ( -17.106 5.714 13.238) 22.372 7.964 ( 4.101 -0.393 3.568) 5.450 8.137 ( 7.778 17.234 1.672) 18.982 8.561 ( 15.675 9.923 7.853) 20.145 9.210 ( 18.389 -11.472 10.536) 24.100 9.339 ( 4.622 13.462 -6.893) 15.815 10.163 ( 25.181 -9.778 21.224) 34.353 10.778 ( -0.919 -3.171 4.780) 5.809 14.288 ( -10.825 3.812 -8.409) 14.227 16.126 ( -18.986 11.111 -20.064) 29.773 17.095 ( -6.610 -20.556 -3.450) 21.866 17.147 ( -20.661 -13.957 -13.510) 28.358 18.381 ( -18.881 9.304 -5.936) 21.870 18.992 ( 3.308 -17.417 -12.471) 21.675 19.110 ( -11.147 -4.534 9.311) 15.215 20.352 ( 25.221 19.377 18.110) 36.600 20.466 ( 20.245 12.170 11.918) 26.458 ======================= Grid point 230 (92/189) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( 24.343 -9.982 9.595) 28.006 4.364 ( 17.365 -12.876 0.261) 21.619 5.172 ( -1.151 -5.931 -11.054) 12.597 5.522 ( -16.927 -3.891 -18.622) 25.465 5.763 ( 6.314 3.287 5.607) 9.061 6.379 ( -8.323 -19.484 -6.480) 22.156 7.075 ( -5.857 11.070 4.721) 13.384 7.310 ( -12.437 5.056 -0.304) 13.429 8.193 ( 2.780 10.912 14.364) 18.252 8.393 ( 10.719 9.261 -12.427) 18.844 9.071 ( 15.923 18.796 17.164) 30.024 9.439 ( 16.342 -9.970 7.808) 20.674 9.599 ( 12.536 18.784 -8.498) 24.129 10.363 ( -6.649 6.131 -4.951) 10.311 11.100 ( 35.210 -18.106 37.497) 54.531 13.935 ( -27.316 12.319 -24.510) 38.712 15.808 ( -15.369 -4.762 -3.114) 16.388 16.332 ( -18.136 -28.092 -29.730) 44.744 17.002 ( -1.518 -16.397 17.933) 24.347 18.024 ( -23.059 5.878 -12.316) 26.795 18.772 ( 5.246 -21.824 -16.737) 27.998 18.900 ( -16.707 -5.365 12.546) 21.571 21.033 ( 23.217 17.097 6.472) 29.550 21.103 ( 18.566 28.556 16.304) 37.762 ======================= Grid point 231 (93/189) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.230 ( 17.437 -11.919 7.953) 22.569 4.392 ( 3.821 -15.632 -2.677) 16.313 4.886 ( -10.699 -6.579 -3.707) 13.095 5.116 ( -15.521 7.514 -18.414) 25.227 5.906 ( 0.257 -16.336 9.427) 18.862 6.048 ( -2.135 -17.081 -12.348) 21.185 7.146 ( 10.634 8.933 6.698) 15.419 7.422 ( -2.489 27.760 0.899) 27.886 8.410 ( 1.037 8.249 13.353) 15.730 8.530 ( 7.546 6.416 -14.368) 17.452 9.429 ( 11.227 -10.948 8.152) 17.674 9.741 ( -0.486 8.737 -2.834) 9.198 10.021 ( 14.585 28.324 21.578) 38.478 10.344 ( 9.397 22.116 -20.095) 31.324 11.862 ( 41.511 -19.953 43.136) 63.103 13.320 ( -37.664 18.296 -35.982) 55.209 15.396 ( -21.774 -22.850 12.122) 33.811 15.570 ( -15.925 -33.411 -24.231) 44.239 17.062 ( 12.807 -10.467 11.479) 20.133 17.619 ( -22.094 8.798 -11.893) 26.589 18.523 ( 5.301 -23.852 -17.719) 30.182 18.612 ( -21.113 -6.525 14.406) 26.380 21.614 ( 23.593 15.807 -0.019) 28.398 21.721 ( 9.176 28.948 11.992) 32.650 ======================= Grid point 232 (94/189) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.204 ( -7.859 -10.512 -6.040) 14.448 4.204 ( -5.175 -12.062 6.040) 14.448 4.869 ( -11.468 5.749 -9.553) 15.995 4.869 ( 10.713 -7.057 9.553) 15.995 5.737 ( -3.681 -14.320 -10.664) 18.230 5.737 ( -10.561 -10.348 10.664) 18.230 7.647 ( 27.712 10.285 -2.541) 29.668 7.647 ( -4.949 29.142 2.541) 29.668 8.583 ( 14.940 -2.434 -25.320) 29.500 8.583 ( -9.578 11.722 25.320) 29.500 9.499 ( -13.443 -4.244 -7.408) 15.925 9.499 ( 3.046 -13.764 7.408) 15.925 10.830 ( 29.941 33.142 -30.046) 53.830 10.830 ( 13.731 42.501 30.046) 53.830 12.605 ( -38.200 20.618 -37.287) 57.224 12.605 ( 36.956 -22.773 37.287) 57.224 14.820 ( -7.656 -41.648 -24.191) 48.768 14.820 ( -32.240 -27.454 24.191) 48.768 17.341 ( -16.408 15.052 -6.122) 23.092 17.341 ( 21.239 -6.684 6.122) 23.092 18.262 ( 5.591 -24.410 -15.868) 29.646 18.262 ( -23.935 -7.363 15.868) 29.646 22.113 ( 21.454 11.516 -5.717) 25.011 22.113 ( -0.754 24.337 5.717) 25.011 ======================= Grid point 241 (95/189) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( 0.000 -3.154 -4.403) 5.416 3.787 ( -0.000 -12.976 9.681) 16.189 4.104 ( -0.000 -23.089 33.005) 40.280 6.578 ( 0.000 -12.869 -19.433) 23.308 6.632 ( 0.000 24.016 -13.305) 27.455 6.713 ( 0.000 -26.202 -17.850) 31.704 6.921 ( 0.000 16.016 -12.892) 20.560 7.403 ( -0.000 2.605 7.290) 7.742 8.112 ( -0.000 16.207 18.318) 24.459 8.191 ( -0.000 10.027 10.848) 14.772 8.489 ( -0.000 -11.877 11.329) 16.413 8.558 ( -0.000 -5.742 8.425) 10.195 9.429 ( -0.000 -6.151 12.091) 13.565 9.481 ( -0.000 4.424 7.508) 8.714 10.877 ( 0.000 2.093 -3.537) 4.110 14.383 ( -0.000 -3.062 3.031) 4.309 16.742 ( 0.000 11.065 -21.230) 23.940 16.971 ( 0.000 -3.754 -10.116) 10.790 17.629 ( 0.000 -30.246 -44.418) 53.738 18.873 ( -0.000 28.029 -6.424) 28.756 18.915 ( 0.000 -23.928 -13.060) 27.260 19.238 ( 0.000 3.566 -5.315) 6.401 19.762 ( -0.000 9.930 46.886) 47.926 20.103 ( -0.000 8.226 26.707) 27.945 ======================= Grid point 242 (96/189) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 11.405 -6.315 -0.908) 13.068 3.753 ( 9.463 -15.019 4.875) 18.409 4.318 ( 24.696 -22.965 23.420) 41.058 6.064 ( -15.131 -18.879 -18.811) 30.647 6.354 ( -6.674 -18.825 -16.814) 26.108 6.529 ( -11.606 1.820 -22.893) 25.731 7.099 ( 5.811 24.278 -5.703) 25.607 7.702 ( 9.725 16.581 4.641) 19.775 8.028 ( -20.714 -15.562 8.139) 27.156 8.371 ( 1.225 12.869 15.965) 20.543 8.597 ( 9.163 20.424 20.228) 30.171 8.851 ( 17.350 -7.697 11.998) 22.455 9.419 ( -1.991 8.971 3.493) 9.831 9.832 ( 21.078 -1.354 20.520) 29.448 10.837 ( -3.809 0.998 -2.618) 4.729 14.361 ( -1.900 -1.736 -0.224) 2.583 16.400 ( -19.750 1.474 -28.063) 34.348 16.753 ( -3.020 -29.331 -34.467) 45.359 17.166 ( -2.788 -10.164 -3.350) 11.059 18.581 ( 4.558 -29.365 -16.402) 33.943 18.795 ( -19.824 15.707 -13.450) 28.646 19.248 ( -2.509 0.013 2.025) 3.224 20.432 ( 13.341 25.215 35.065) 45.203 20.474 ( 11.699 18.064 26.743) 34.328 ======================= Grid point 243 (97/189) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.454 ( 20.869 -10.156 4.661) 23.672 3.880 ( 20.446 -15.597 -2.898) 25.879 4.678 ( 27.709 -19.995 5.387) 34.592 5.525 ( -12.515 -18.768 -16.131) 27.732 5.943 ( -4.648 -21.928 -12.483) 25.657 6.171 ( -13.755 1.766 -17.941) 22.676 7.401 ( 2.904 22.037 -5.549) 22.910 7.572 ( -17.015 -10.699 5.490) 20.835 7.988 ( 5.647 12.891 -3.476) 14.496 8.613 ( 3.720 6.588 13.644) 15.601 9.062 ( 8.472 1.451 13.370) 15.895 9.281 ( 16.376 24.775 28.914) 41.448 9.587 ( 6.462 18.453 -1.948) 19.649 10.361 ( 18.881 1.870 17.805) 26.019 10.789 ( 4.572 -5.443 10.029) 12.293 14.224 ( -12.601 3.276 -11.387) 17.297 15.805 ( -9.480 -31.701 -31.579) 45.739 16.163 ( -16.736 -5.420 -26.541) 31.842 17.026 ( -5.373 -16.365 13.772) 22.053 18.295 ( 7.564 -26.865 -18.840) 33.673 18.448 ( -24.887 12.790 -15.171) 31.829 19.159 ( -10.159 -3.629 9.048) 14.080 20.922 ( 15.579 13.888 13.058) 24.618 21.268 ( 15.847 33.905 27.530) 46.460 ======================= Grid point 244 (98/189) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( 24.854 -12.074 5.198) 28.116 4.018 ( 16.995 -18.929 -4.917) 25.910 4.785 ( 6.272 -16.020 -13.324) 21.760 5.119 ( -2.923 -12.221 -14.475) 19.168 5.637 ( 5.978 -30.025 -9.688) 32.111 5.964 ( -7.054 6.974 -1.162) 9.988 7.203 ( -7.973 -7.145 3.309) 11.206 7.703 ( 8.176 15.707 -10.058) 20.365 8.150 ( 2.403 14.441 -5.692) 15.707 8.790 ( 3.838 0.188 10.079) 10.786 9.243 ( 1.953 0.375 15.866) 15.990 9.774 ( 7.430 15.674 -3.029) 17.608 10.194 ( 16.178 35.180 18.084) 42.736 10.481 ( -4.818 17.077 5.681) 18.631 11.300 ( 36.695 -12.914 36.986) 53.677 13.815 ( -28.315 11.378 -27.823) 41.296 15.081 ( -7.154 -43.553 -30.910) 53.884 15.714 ( -18.963 -9.532 -4.043) 21.605 16.910 ( 1.328 -14.595 13.726) 20.079 18.035 ( -7.711 -6.367 -15.788) 18.689 18.065 ( -9.330 -5.255 -15.572) 18.898 18.961 ( -16.290 -5.957 12.944) 21.642 21.404 ( 19.051 12.303 4.073) 23.041 21.959 ( 9.446 31.663 17.316) 37.304 ======================= Grid point 254 (99/189) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( 0.000 -6.043 -7.520) 9.647 3.545 ( 0.000 -21.383 4.516) 21.855 4.017 ( -0.000 -27.856 28.660) 39.967 5.844 ( 0.000 -28.248 -22.632) 36.196 5.876 ( 0.000 -29.947 -22.114) 37.227 6.811 ( 0.000 15.256 -19.652) 24.879 6.917 ( 0.000 6.681 -20.922) 21.963 8.041 ( -0.000 27.615 22.368) 35.538 8.159 ( 0.000 -21.784 4.243) 22.194 8.271 ( 0.000 -6.709 0.712) 6.747 8.849 ( -0.000 15.150 17.460) 23.117 9.015 ( -0.000 31.112 39.988) 50.665 9.572 ( -0.000 2.207 12.775) 12.964 9.782 ( -0.000 11.886 11.712) 16.687 10.862 ( 0.000 1.258 -3.445) 3.667 14.356 ( -0.000 -2.830 1.541) 3.222 15.995 ( 0.000 -46.220 -39.823) 61.010 16.620 ( 0.000 8.396 -25.639) 26.979 17.055 ( 0.000 -3.299 -8.920) 9.511 18.120 ( 0.000 -34.372 -13.404) 36.893 19.047 ( 0.000 12.950 -14.493) 19.436 19.249 ( 0.000 4.423 -4.860) 6.571 20.653 ( -0.000 10.289 22.221) 24.487 20.913 ( -0.000 32.673 44.342) 55.079 ======================= Grid point 255 (100/189) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( 14.572 -10.055 -5.146) 18.437 3.414 ( 9.963 -23.190 0.635) 25.247 4.107 ( 19.883 -27.070 18.472) 38.331 5.338 ( -6.014 -25.905 -20.473) 33.561 5.480 ( 3.254 -32.831 -22.035) 39.673 6.479 ( -19.427 9.385 -16.748) 27.313 7.140 ( 18.802 4.008 -22.701) 29.748 7.740 ( -16.149 -20.576 3.128) 26.343 8.264 ( 3.685 -7.292 15.410) 17.442 8.472 ( 2.588 20.535 -0.378) 20.701 9.200 ( 6.168 14.591 20.339) 25.780 9.625 ( -0.161 19.974 26.890) 33.497 9.715 ( 6.042 23.055 19.512) 30.802 10.206 ( 18.350 17.527 23.372) 34.499 10.818 ( -3.640 0.236 -1.722) 4.034 14.311 ( -3.614 -1.428 -2.939) 4.872 15.258 ( -3.045 -45.164 -36.529) 58.167 16.332 ( -17.751 7.444 -28.759) 34.606 16.994 ( 0.352 -10.445 1.826) 10.609 17.766 ( 6.968 -30.784 -14.555) 34.757 18.865 ( -19.872 13.565 -16.259) 29.039 19.280 ( -1.469 0.928 1.364) 2.209 20.937 ( 7.436 8.232 16.092) 19.546 21.590 ( 9.048 32.644 34.418) 48.292 ======================= Grid point 256 (101/189) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( 24.274 -13.593 -1.766) 27.877 3.444 ( 20.469 -22.501 -4.755) 30.788 4.281 ( 19.630 -23.933 -0.721) 30.962 4.898 ( -2.497 -23.164 -15.253) 27.848 5.115 ( 8.095 -30.701 -17.240) 36.129 6.215 ( -12.239 8.792 -6.439) 16.387 7.159 ( 0.843 -15.717 -16.828) 23.042 7.454 ( 4.415 -4.261 -5.374) 8.157 8.323 ( 5.121 -12.880 10.611) 17.456 8.697 ( 0.819 23.340 -3.279) 23.583 9.513 ( -1.454 13.058 20.137) 24.044 9.817 ( 2.568 13.584 1.223) 13.878 10.337 ( 13.122 14.892 15.069) 24.920 10.784 ( 2.489 3.270 15.942) 16.464 11.015 ( 20.092 32.309 35.845) 52.273 14.105 ( -15.017 2.797 -17.565) 23.278 14.551 ( -4.834 -41.409 -29.019) 50.795 15.894 ( -17.970 0.383 -20.029) 26.911 16.868 ( -2.837 -16.323 10.728) 19.738 17.541 ( 9.339 -24.948 -15.859) 31.002 18.514 ( -23.856 14.860 -15.221) 31.963 19.207 ( -9.516 -3.436 8.419) 13.162 21.263 ( 13.073 6.420 7.334) 16.307 22.244 ( 8.213 30.502 21.881) 38.427 ======================= Grid point 267 (102/189) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 0.000 -14.522 -8.863) 17.013 3.088 ( 0.000 -29.481 1.671) 29.528 3.793 ( -0.000 -29.195 20.972) 35.947 4.969 ( 0.000 -29.946 -22.117) 37.228 4.985 ( 0.000 -30.710 -22.398) 38.011 6.649 ( 0.000 -4.807 -22.984) 23.482 6.790 ( 0.000 9.448 -17.350) 19.756 7.674 ( 0.000 -27.869 0.010) 27.869 8.039 ( -0.000 -14.662 6.320) 15.966 8.851 ( -0.000 26.744 8.543) 28.076 9.374 ( -0.000 8.092 23.389) 24.749 9.816 ( -0.000 9.307 7.118) 11.717 9.989 ( -0.000 9.160 17.840) 20.054 10.654 ( -0.000 48.167 36.925) 60.692 10.862 ( -0.000 7.473 4.539) 8.743 14.297 ( 0.000 -4.714 -4.963) 6.845 14.629 ( 0.000 -39.707 -29.655) 49.559 16.381 ( 0.000 5.390 -30.497) 30.970 16.875 ( 0.000 -5.454 -6.536) 8.512 17.320 ( 0.000 -32.035 -7.006) 32.792 19.089 ( 0.000 11.337 -14.120) 18.108 19.278 ( 0.000 4.901 -4.546) 6.685 21.034 ( -0.000 3.220 14.366) 14.723 22.046 ( -0.000 29.189 33.588) 44.499 ======================= Grid point 268 (103/189) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 17.862 -19.592 -8.968) 27.988 2.901 ( 12.837 -29.546 1.506) 32.250 3.754 ( 13.700 -28.945 8.820) 33.216 4.536 ( 0.101 -30.132 -20.919) 36.682 4.588 ( 5.787 -28.127 -17.115) 33.430 6.347 ( -5.638 -5.500 -16.220) 18.031 6.820 ( 4.558 -3.454 -18.951) 19.795 7.367 ( -3.505 -17.638 0.667) 17.995 8.033 ( 9.238 -16.590 5.281) 19.709 9.045 ( -7.506 23.714 3.637) 25.138 9.688 ( 7.765 4.108 21.342) 23.079 9.964 ( -0.559 14.615 4.432) 15.283 10.255 ( 12.925 4.539 13.505) 19.236 10.792 ( -2.495 -0.673 0.430) 2.620 11.606 ( 5.588 55.955 45.628) 72.417 13.942 ( -2.092 -31.234 -30.806) 43.920 14.299 ( -5.689 -5.653 -3.458) 8.734 16.050 ( -16.239 2.787 -28.128) 32.599 16.795 ( 0.206 -12.493 2.206) 12.688 17.065 ( 7.966 -23.333 -9.639) 26.472 18.911 ( -18.341 12.992 -15.402) 27.247 19.317 ( -1.072 1.226 1.015) 1.919 21.183 ( 6.536 0.024 8.561) 10.771 22.566 ( 4.872 26.369 24.807) 36.530 ======================= Grid point 280 (104/189) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 0.000 -27.256 -4.531) 27.630 2.461 ( 0.000 -37.087 2.300) 37.159 3.396 ( 0.000 -31.783 4.097) 32.046 4.115 ( 0.000 -30.167 -16.834) 34.546 4.126 ( 0.000 -28.112 -18.185) 33.481 6.071 ( 0.000 -23.274 -21.388) 31.609 6.746 ( 0.000 6.772 -12.347) 14.082 7.211 ( 0.000 -18.606 1.618) 18.676 7.851 ( -0.000 -11.401 3.851) 12.033 9.374 ( -0.000 17.680 6.044) 18.684 9.702 ( -0.000 -5.920 21.904) 22.690 10.154 ( -0.000 17.753 3.560) 18.107 10.270 ( -0.000 4.907 7.782) 9.200 10.821 ( 0.000 0.907 -0.706) 1.150 12.408 ( -0.000 53.716 43.604) 69.186 13.455 ( 0.000 -28.795 -28.224) 40.321 14.311 ( 0.000 -2.156 0.166) 2.163 16.036 ( 0.000 1.305 -28.183) 28.213 16.673 ( 0.000 -7.311 -4.410) 8.538 16.741 ( 0.000 -21.002 -2.048) 21.102 19.115 ( 0.000 10.327 -13.619) 17.091 19.316 ( 0.000 5.055 -4.414) 6.711 21.156 ( -0.000 -4.861 6.711) 8.287 22.920 ( -0.000 21.505 23.173) 31.614 ======================= Grid point 321 (105/189) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -0.000 0.000 45.407) 45.407 1.895 ( -0.000 0.000 45.407) 45.407 2.807 ( -0.000 0.000 63.684) 63.684 3.606 ( -0.000 0.000 27.323) 27.323 3.606 ( -0.000 0.000 27.323) 27.323 5.268 ( -0.000 0.000 23.097) 23.097 6.968 ( -0.000 0.000 8.724) 8.724 6.968 ( -0.000 0.000 8.724) 8.724 7.368 ( 0.000 -0.000 -9.251) 9.251 10.029 ( -0.000 0.000 1.755) 1.755 10.029 ( -0.000 0.000 1.755) 1.755 10.318 ( 0.000 -0.000 -8.656) 8.656 10.813 ( -0.000 0.000 1.135) 1.135 10.813 ( -0.000 -0.000 1.135) 1.135 12.442 ( -0.000 0.000 6.538) 6.538 14.104 ( 0.000 -0.000 -10.037) 10.037 14.104 ( 0.000 -0.000 -10.037) 10.037 15.753 ( 0.000 -0.000 -22.881) 22.881 16.213 ( -0.000 0.000 8.040) 8.040 16.213 ( -0.000 0.000 8.040) 8.040 19.210 ( 0.000 -0.000 -10.991) 10.991 19.210 ( 0.000 -0.000 -10.991) 10.991 21.143 ( -0.000 0.000 15.304) 15.304 23.673 ( 0.000 -0.000 -7.405) 7.405 ======================= Grid point 322 (106/189) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 1.856 1.072 43.526) 43.578 2.497 ( 17.089 9.867 37.590) 42.455 3.330 ( 8.636 4.986 52.050) 52.997 3.855 ( 6.459 3.729 24.022) 25.153 3.902 ( 9.810 5.664 27.877) 30.091 5.618 ( 14.670 8.470 27.908) 32.647 6.875 ( -8.760 -5.058 6.679) 12.122 7.198 ( 9.564 5.522 12.901) 16.982 7.351 ( 4.117 2.377 -9.390) 10.524 9.854 ( -12.367 -7.140 3.395) 14.678 9.971 ( -4.719 -2.725 -6.920) 8.808 10.184 ( -5.568 -3.215 -9.758) 11.686 10.651 ( -5.516 -3.185 -5.717) 8.559 11.070 ( 12.750 7.361 13.608) 20.048 12.587 ( 3.690 2.131 8.845) 9.818 13.794 ( -7.718 -4.456 -20.029) 21.922 14.045 ( -7.417 -4.282 -11.909) 14.669 15.598 ( -2.265 -1.308 -14.191) 14.430 16.361 ( 9.940 5.739 5.215) 12.607 16.421 ( 9.148 5.281 13.116) 16.841 18.959 ( -8.780 -5.069 -15.529) 18.546 19.294 ( 5.345 3.086 -7.377) 9.619 21.256 ( 1.219 0.704 14.015) 14.086 23.490 ( -9.391 -5.422 -9.493) 14.412 ======================= Grid point 323 (107/189) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 19.348 11.171 31.525) 38.639 3.109 ( 16.716 9.651 29.563) 35.306 3.823 ( 8.627 4.981 37.649) 38.945 4.211 ( 11.794 6.809 19.808) 24.038 4.377 ( 15.458 8.925 25.183) 30.867 6.211 ( 19.933 11.508 26.152) 34.838 6.670 ( -12.277 -7.088 3.958) 14.718 7.418 ( 6.877 3.970 -8.423) 11.576 7.569 ( 13.859 8.001 19.373) 25.128 9.637 ( -5.632 -3.252 -4.561) 7.943 9.702 ( -10.962 -6.329 -20.660) 24.229 9.993 ( -6.925 -3.998 -4.730) 9.290 10.482 ( -5.798 -3.347 -8.519) 10.835 11.537 ( 16.892 9.753 24.883) 31.617 12.616 ( -5.552 -3.206 1.064) 6.499 13.559 ( -0.469 -0.271 -16.469) 16.478 13.663 ( -15.333 -8.852 -21.966) 28.213 15.493 ( -2.690 -1.553 0.311) 3.121 16.655 ( 10.757 6.211 9.071) 15.381 16.767 ( 12.089 6.979 17.876) 22.680 18.615 ( -11.361 -6.559 -19.257) 23.301 19.303 ( -2.669 -1.541 -0.179) 3.087 21.380 ( 3.321 1.918 7.736) 8.634 23.178 ( -10.528 -6.078 -14.778) 19.136 ======================= Grid point 324 (108/189) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 28.052 16.196 21.287) 38.760 3.617 ( 12.321 7.113 22.981) 27.029 4.219 ( 6.730 3.886 27.559) 28.634 4.631 ( 15.167 8.756 15.330) 23.275 4.872 ( 14.211 8.205 19.188) 25.248 6.393 ( -14.325 -8.271 4.216) 17.070 6.783 ( 17.798 10.276 15.058) 25.478 7.544 ( 9.341 5.393 -8.384) 13.661 8.074 ( 16.775 9.685 27.247) 33.431 9.235 ( -14.984 -8.651 -29.631) 34.313 9.545 ( 3.179 1.835 -15.799) 16.219 9.789 ( -9.377 -5.414 -2.750) 11.171 10.272 ( -7.277 -4.201 -9.023) 12.330 12.140 ( 18.855 10.886 33.138) 39.650 12.341 ( -11.358 -6.558 -21.963) 25.581 13.109 ( -17.644 -10.187 -29.941) 36.215 13.593 ( 6.080 3.510 5.388) 8.850 15.470 ( -4.071 -2.351 13.173) 13.986 16.933 ( 6.805 3.929 14.590) 16.571 17.188 ( 13.562 7.830 21.056) 26.241 18.202 ( -12.960 -7.482 -21.496) 26.192 19.171 ( -10.939 -6.315 6.749) 14.321 21.513 ( 6.913 3.991 -1.613) 8.143 22.834 ( -9.480 -5.473 -20.428) 23.176 ======================= Grid point 325 (109/189) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.934 ( 4.029 2.326 14.166) 14.911 4.059 ( 26.810 15.479 18.350) 35.987 4.462 ( 0.831 0.480 18.739) 18.764 5.095 ( 17.245 9.956 12.310) 23.410 5.232 ( 7.984 4.609 13.248) 16.140 6.097 ( -15.547 -8.976 8.344) 19.797 7.208 ( 15.564 8.986 2.322) 18.121 7.708 ( 9.173 5.296 -11.477) 15.617 8.635 ( 14.891 8.597 28.550) 33.328 8.683 ( -13.031 -7.524 -32.708) 36.004 9.523 ( -13.134 -7.583 -1.752) 15.267 9.536 ( 5.628 3.250 -20.711) 21.707 10.086 ( -0.386 -0.223 -13.819) 13.826 11.885 ( -11.348 -6.552 -34.140) 36.569 12.442 ( -16.673 -9.626 -28.007) 33.986 12.852 ( 17.428 10.062 30.568) 36.597 13.861 ( 9.346 5.396 20.696) 23.341 15.443 ( -10.916 -6.302 25.707) 28.630 17.166 ( 5.583 3.223 14.583) 15.944 17.644 ( 13.925 8.039 22.002) 27.251 17.767 ( -12.677 -7.319 -20.017) 24.798 18.910 ( -17.493 -10.100 11.553) 23.270 21.676 ( 11.468 6.621 -11.153) 17.313 22.487 ( -8.033 -4.638 -24.260) 25.972 ======================= Grid point 326 (110/189) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.958 ( -6.474 -3.738 1.011) 7.543 4.476 ( -7.329 -4.231 14.256) 16.579 4.724 ( 19.181 11.074 15.666) 27.129 5.416 ( 0.284 0.164 14.053) 14.057 5.517 ( 12.371 7.142 11.039) 18.053 5.803 ( -16.974 -9.800 12.250) 23.114 7.549 ( -12.913 -7.456 -33.740) 36.888 7.563 ( 18.737 10.818 -7.680) 22.959 8.483 ( 12.192 7.039 -13.676) 19.628 8.977 ( -1.098 -0.634 12.697) 12.760 9.172 ( -17.281 -9.977 -1.007) 19.980 9.569 ( 8.828 5.097 -2.657) 10.534 10.146 ( 18.095 10.447 -29.579) 36.214 11.419 ( -8.882 -5.128 -34.954) 36.427 11.822 ( -17.255 -9.962 -35.883) 41.043 13.467 ( 14.806 8.549 34.819) 38.790 14.269 ( 11.646 6.724 29.680) 32.584 15.285 ( -21.664 -12.508 35.455) 43.392 17.254 ( -5.831 -3.367 -14.173) 15.691 17.544 ( 4.649 2.684 10.529) 11.818 18.095 ( 13.240 7.644 20.838) 25.845 18.549 ( -21.933 -12.663 13.939) 28.909 21.882 ( 15.636 9.027 -18.531) 25.872 22.155 ( -6.714 -3.876 -25.599) 26.747 ======================= Grid point 327 (111/189) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.687 ( -13.999 -8.082 -9.612) 18.807 4.277 ( -15.502 -8.950 4.149) 18.374 5.092 ( 0.962 0.555 17.434) 17.469 5.358 ( -18.643 -10.764 20.333) 29.612 5.518 ( -13.298 -7.678 6.779) 16.785 5.813 ( 9.688 5.594 10.448) 15.307 6.928 ( -16.030 -9.255 -36.989) 41.361 7.962 ( 20.893 12.062 -9.817) 26.045 8.696 ( -16.346 -9.438 2.582) 19.051 8.846 ( -8.187 -4.727 -1.911) 9.645 8.874 ( 16.456 9.501 -8.777) 20.931 9.866 ( 11.422 6.595 9.426) 16.211 10.453 ( 30.049 17.349 -43.589) 55.713 11.057 ( -3.714 -2.144 -27.757) 28.086 11.208 ( -15.891 -9.175 -36.203) 40.588 13.922 ( 5.718 3.301 28.917) 29.662 14.761 ( 12.576 7.261 34.610) 37.533 14.956 ( -28.126 -16.239 36.933) 49.182 16.980 ( -7.029 -4.058 -11.674) 14.218 17.878 ( 13.648 7.880 15.613) 22.184 18.114 ( -24.335 -14.050 14.052) 31.418 18.513 ( 11.796 6.810 18.039) 22.604 21.847 ( -5.807 -3.352 -24.431) 25.334 22.127 ( 18.409 10.629 -23.179) 31.451 ======================= Grid point 328 (112/189) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -17.661 -10.196 -12.795) 24.074 3.841 ( -23.121 -13.349 -4.202) 27.027 4.905 ( -30.315 -17.502 10.937) 36.673 4.980 ( -18.274 -10.550 14.818) 25.784 5.141 ( -22.219 -12.828 -1.607) 25.706 6.144 ( 12.207 7.048 12.440) 18.800 6.487 ( -7.945 -4.587 -13.056) 15.956 8.203 ( -24.202 -13.973 1.556) 27.989 8.232 ( 1.846 1.066 -0.209) 2.141 8.777 ( 9.913 5.723 -11.936) 16.538 9.313 ( 22.308 12.880 -6.690) 26.614 10.114 ( 6.494 3.749 2.967) 8.064 10.630 ( -14.636 -8.450 -33.736) 37.732 10.763 ( 9.164 5.291 -21.471) 23.937 11.052 ( 31.972 18.459 -42.888) 56.589 14.067 ( -10.698 -6.176 27.836) 30.453 14.582 ( -20.974 -12.110 23.959) 34.068 15.271 ( 11.383 6.572 35.841) 38.175 16.817 ( -3.986 -2.301 -1.286) 4.779 17.646 ( -24.783 -14.309 12.118) 31.077 18.316 ( 15.105 8.721 16.652) 24.114 18.865 ( 9.853 5.689 14.100) 18.118 21.570 ( -5.331 -3.078 -20.884) 21.772 22.393 ( 19.589 11.310 -25.678) 34.220 ======================= Grid point 329 (113/189) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -19.975 -11.532 -8.184) 24.474 3.202 ( -29.373 -16.958 -8.054) 34.860 4.159 ( -33.968 -19.611 -9.055) 40.255 4.577 ( -24.825 -14.333 15.477) 32.577 4.617 ( -25.910 -14.959 9.611) 31.425 6.299 ( -10.250 -5.918 9.331) 15.071 6.484 ( 9.824 5.672 13.110) 17.337 7.669 ( -23.186 -13.386 0.406) 26.776 8.097 ( -10.076 -5.817 -0.205) 11.637 9.055 ( 17.972 10.376 -11.136) 23.551 9.741 ( 19.470 11.241 -9.738) 24.500 10.123 ( -11.527 -6.655 -25.573) 28.830 10.219 ( 4.461 2.575 -5.437) 7.490 10.787 ( 2.120 1.224 -1.845) 3.066 11.667 ( 46.256 26.706 -49.726) 72.976 13.828 ( -25.969 -14.993 34.076) 45.391 14.386 ( -6.050 -3.493 3.842) 7.972 15.723 ( 7.696 4.444 33.574) 34.730 16.751 ( -3.842 -2.218 4.806) 6.540 17.174 ( -22.924 -13.235 8.160) 27.699 18.754 ( 13.311 7.685 17.159) 23.036 19.138 ( 7.310 4.221 9.446) 12.669 21.333 ( -4.969 -2.869 -14.955) 16.018 22.660 ( 19.445 11.227 -26.193) 34.499 ======================= Grid point 334 (114/189) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -0.000 2.636 42.681) 42.763 2.636 ( -0.000 6.436 40.507) 41.015 3.644 ( -0.000 1.222 47.748) 47.763 4.030 ( -0.000 8.300 25.616) 26.927 4.070 ( -0.000 10.883 24.417) 26.733 5.854 ( -0.000 21.944 30.459) 37.541 7.032 ( -0.000 -1.410 11.122) 11.211 7.163 ( -0.000 1.709 3.271) 3.691 7.309 ( -0.000 6.084 -1.359) 6.234 9.830 ( 0.000 -14.327 -6.312) 15.656 9.982 ( -0.000 -7.092 2.421) 7.494 10.091 ( 0.000 -7.333 -14.899) 16.606 10.739 ( 0.000 -1.631 -0.797) 1.815 10.838 ( -0.000 -14.867 11.952) 19.076 12.857 ( -0.000 30.435 11.905) 32.681 13.273 ( 0.000 -48.280 -27.200) 55.415 14.224 ( 0.000 10.684 -5.456) 11.996 15.617 ( 0.000 18.722 -20.248) 27.577 16.346 ( -0.000 5.273 5.685) 7.754 16.530 ( -0.000 11.988 16.790) 20.630 18.973 ( 0.000 1.801 -17.056) 17.151 19.183 ( 0.000 6.018 -11.200) 12.714 21.333 ( -0.000 -3.421 15.284) 15.662 23.378 ( 0.000 -18.436 -9.380) 20.685 ======================= Grid point 335 (115/189) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 2.800 8.018 39.196) 40.106 3.108 ( 14.797 4.748 32.837) 36.329 3.964 ( 7.263 -3.614 36.592) 37.480 4.339 ( 2.522 14.865 24.392) 28.675 4.429 ( 8.836 13.336 22.035) 27.230 6.341 ( 6.319 23.046 24.705) 34.371 6.896 ( -14.775 -0.689 7.348) 16.516 7.303 ( 6.740 5.039 -7.091) 11.004 7.530 ( 13.012 6.007 19.403) 24.122 9.567 ( -5.846 -15.328 -12.140) 20.408 9.788 ( -13.225 -5.999 -6.784) 16.029 9.889 ( 0.964 -14.266 -9.719) 17.290 10.549 ( -7.893 0.726 -5.892) 9.876 11.137 ( 29.671 -20.131 18.546) 40.368 12.526 ( -2.200 -49.254 -28.138) 56.767 13.311 ( 1.438 29.804 12.480) 32.344 14.133 ( -18.100 15.417 -9.461) 25.589 15.618 ( -6.934 16.009 -10.586) 20.407 16.581 ( 12.932 9.679 4.438) 16.752 16.837 ( 5.814 13.611 21.305) 25.941 18.711 ( -15.507 3.669 -20.164) 25.700 19.256 ( 5.608 3.383 -7.871) 10.239 21.386 ( 1.223 -6.163 11.413) 13.028 23.062 ( -3.713 -22.972 -12.307) 26.324 ======================= Grid point 336 (116/189) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 16.223 11.615 30.539) 36.479 3.597 ( 15.458 2.897 25.309) 29.798 4.323 ( 10.228 2.652 26.298) 28.341 4.669 ( 2.347 12.526 19.153) 23.005 4.888 ( 12.478 14.240 19.009) 26.830 6.584 ( -9.583 -1.446 2.275) 9.955 6.858 ( -0.791 15.000 20.286) 25.242 7.424 ( 7.230 8.082 -8.663) 13.880 8.034 ( 18.841 7.297 27.055) 33.767 9.158 ( -11.319 -13.418 -27.512) 32.635 9.478 ( -7.115 -5.682 -9.856) 13.418 9.693 ( 0.443 -17.696 -7.363) 19.172 10.387 ( -9.603 4.561 -8.594) 13.671 11.546 ( 28.282 -38.389 7.530) 48.273 11.916 ( 14.452 -44.066 -14.163) 48.490 13.557 ( -24.440 32.703 -5.705) 41.224 13.974 ( -12.304 32.274 5.576) 34.987 15.609 ( -3.578 6.966 3.083) 8.416 16.924 ( 10.044 6.667 11.310) 16.530 17.262 ( 9.679 16.462 21.957) 29.099 18.306 ( -18.774 2.864 -22.328) 29.312 19.268 ( -2.404 -1.438 -0.574) 2.860 21.412 ( 3.898 -6.572 2.751) 8.121 22.674 ( -3.348 -22.447 -18.137) 29.052 ======================= Grid point 337 (117/189) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.849 ( 22.432 7.369 22.662) 32.727 4.009 ( 10.735 7.185 18.850) 22.852 4.654 ( 1.413 9.282 18.569) 20.808 4.915 ( 9.603 2.560 7.602) 12.512 5.344 ( 9.048 16.151 16.929) 25.086 6.371 ( -15.052 -3.023 10.178) 18.420 7.095 ( 4.834 4.165 9.016) 11.046 7.581 ( 6.899 9.731 -12.821) 17.512 8.544 ( 3.317 -6.620 -6.311) 9.729 8.664 ( 1.728 1.016 -0.209) 2.016 9.314 ( 2.314 -3.235 -17.199) 17.653 9.471 ( 0.216 -17.130 -6.307) 18.256 10.192 ( -12.368 5.987 -8.925) 16.385 11.143 ( 11.489 -52.510 -32.475) 62.801 12.259 ( 37.206 -30.369 28.861) 56.031 13.144 ( -37.489 31.164 -28.803) 56.623 14.364 ( -7.001 44.428 26.331) 52.117 15.666 ( -2.248 0.143 15.636) 15.797 17.175 ( 4.963 -0.763 17.627) 18.329 17.747 ( 8.844 19.046 20.492) 29.341 17.864 ( -17.629 2.191 -20.472) 27.105 19.136 ( -11.092 -6.335 6.704) 14.426 21.443 ( 8.990 -4.370 -8.690) 13.246 22.286 ( -1.448 -19.561 -23.983) 30.983 ======================= Grid point 338 (118/189) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( -6.473 3.482 6.012) 9.496 4.540 ( 23.545 6.084 19.450) 31.140 4.718 ( -11.358 3.874 10.536) 15.969 5.219 ( 18.910 -0.338 3.023) 19.153 5.711 ( 1.934 15.061 17.576) 23.227 6.164 ( -18.488 -1.285 18.135) 25.929 7.265 ( 12.665 -2.994 -1.315) 13.080 7.436 ( -9.908 -9.480 -32.975) 35.713 8.331 ( 6.299 11.523 -16.870) 21.379 8.892 ( 2.053 -18.795 6.506) 19.995 9.315 ( 15.187 6.842 -15.994) 23.093 9.361 ( -0.909 -1.407 0.049) 1.675 9.998 ( -7.127 4.246 -10.902) 13.700 10.681 ( 13.341 -41.366 -28.871) 52.179 12.405 ( -32.317 24.217 -26.171) 48.123 12.976 ( 31.085 -24.787 23.459) 46.163 14.855 ( -9.118 44.257 28.388) 53.364 15.688 ( -10.423 -7.030 28.128) 30.810 17.276 ( -4.466 -0.487 -0.308) 4.503 17.539 ( -4.008 -2.630 1.973) 5.184 18.226 ( 7.218 20.510 19.980) 29.529 18.867 ( -18.296 -10.221 11.717) 24.010 21.529 ( 15.392 -0.388 -19.330) 24.713 21.935 ( 0.533 -15.433 -27.406) 31.457 ======================= Grid point 339 (119/189) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( -19.650 3.459 -7.779) 21.415 4.530 ( -17.488 -1.803 2.585) 17.769 5.040 ( 16.660 -4.976 21.179) 27.402 5.440 ( 6.309 -10.316 3.874) 12.698 5.810 ( -18.414 -3.150 22.794) 29.471 6.049 ( -10.775 13.537 13.948) 22.223 6.842 ( -12.025 -8.245 -36.822) 39.603 7.537 ( 24.056 0.053 -7.505) 25.200 8.537 ( 4.806 -11.502 -2.695) 12.754 8.714 ( 7.775 4.047 -8.355) 12.110 9.219 ( -16.220 5.679 -4.857) 17.858 9.648 ( 20.779 12.527 -16.405) 29.289 9.922 ( 10.601 -9.136 -18.028) 22.823 10.450 ( 13.052 -18.602 -16.064) 27.829 11.817 ( -39.756 32.014 -37.422) 63.291 13.498 ( 36.178 -32.369 32.853) 58.617 15.254 ( -9.329 33.040 23.475) 41.591 15.507 ( -24.285 -14.775 36.817) 46.514 17.083 ( -11.231 7.608 -8.704) 16.118 17.707 ( 15.390 -7.560 18.248) 25.040 18.484 ( -23.153 -12.299 13.707) 29.584 18.651 ( 4.652 19.081 17.137) 26.066 21.643 ( 1.711 -10.350 -27.209) 29.161 21.699 ( 20.321 4.008 -26.300) 33.477 ======================= Grid point 340 (120/189) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( -23.698 2.803 -11.078) 26.309 4.122 ( -24.928 -5.924 -5.799) 26.271 5.081 ( -14.954 -21.987 6.855) 27.460 5.299 ( -6.970 -13.320 5.158) 15.893 5.495 ( -28.732 -6.595 22.612) 37.153 6.085 ( 3.093 3.495 -1.791) 4.998 6.602 ( -5.473 12.293 0.373) 13.462 7.935 ( 22.044 -3.355 -4.526) 22.753 8.288 ( 2.342 -19.146 -4.402) 19.785 8.852 ( -20.390 4.202 -5.944) 21.651 9.115 ( 14.334 19.565 -7.272) 25.321 9.870 ( 12.566 -15.747 -14.482) 24.812 10.052 ( 28.260 12.460 -29.605) 42.783 10.524 ( 14.103 5.600 -15.398) 21.618 11.248 ( -32.718 27.370 -33.165) 54.033 13.930 ( 23.368 -25.565 26.948) 43.885 15.098 ( -31.646 -19.396 36.114) 51.787 15.517 ( -2.551 13.783 21.020) 25.265 16.986 ( -9.807 11.475 2.093) 15.240 18.023 ( -23.867 -13.434 12.922) 30.284 18.082 ( 20.256 -8.241 17.882) 28.248 18.990 ( 2.997 15.913 12.744) 20.607 21.422 ( 0.870 -4.617 -23.389) 23.856 21.942 ( 22.783 8.550 -29.275) 38.068 ======================= Grid point 341 (121/189) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -24.536 3.766 -4.941) 25.310 3.529 ( -29.988 -8.159 -8.583) 32.241 4.451 ( -29.939 -14.591 -11.546) 35.250 4.978 ( -21.437 -14.384 14.044) 29.388 5.046 ( -30.529 -9.007 18.826) 36.981 6.241 ( 11.457 -5.251 5.389) 13.707 6.710 ( -7.486 13.781 18.959) 24.605 7.770 ( -10.802 -22.278 -0.023) 24.759 8.395 ( -19.500 6.787 0.499) 20.654 8.617 ( 24.636 -1.660 -12.943) 27.879 9.519 ( 16.762 16.537 -10.749) 25.884 9.843 ( 9.418 -8.558 -12.539) 17.865 10.303 ( 2.016 9.101 -14.797) 17.489 10.871 ( -11.493 18.085 -19.803) 29.178 10.898 ( 33.736 22.535 -38.559) 55.971 14.118 ( 3.654 -15.568 20.402) 25.922 14.600 ( -28.025 -18.984 27.032) 43.319 15.772 ( 8.636 -3.419 25.693) 27.320 16.946 ( -10.210 7.227 4.931) 13.446 17.528 ( -26.462 -12.477 10.159) 30.970 18.512 ( 23.647 -9.000 17.792) 30.931 19.222 ( 1.957 9.355 6.693) 11.668 21.270 ( -1.147 1.300 -16.802) 16.891 22.236 ( 22.324 13.183 -28.835) 38.777 ======================= Grid point 347 (122/189) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -0.000 6.982 37.383) 38.029 3.210 ( -0.000 1.709 31.223) 31.270 4.047 ( -0.000 -11.762 37.799) 39.586 4.650 ( -0.000 19.157 17.921) 26.233 4.674 ( -0.000 20.538 24.135) 31.691 6.672 ( -0.000 23.464 13.021) 26.835 7.120 ( 0.000 5.589 -14.231) 15.290 7.288 ( -0.000 5.992 26.011) 26.692 7.561 ( -0.000 4.165 17.348) 17.841 9.381 ( 0.000 -17.625 -13.275) 22.065 9.616 ( 0.000 -16.478 -19.829) 25.783 9.816 ( 0.000 -13.153 -1.258) 13.213 10.615 ( -0.000 -24.390 14.603) 28.427 10.719 ( 0.000 1.844 -3.050) 3.564 11.733 ( 0.000 -61.707 -32.520) 69.752 13.843 ( -0.000 44.841 21.576) 49.762 14.356 ( -0.000 7.060 0.377) 7.070 15.826 ( 0.000 27.722 -20.957) 34.752 16.544 ( -0.000 9.198 2.189) 9.455 17.107 ( -0.000 17.713 25.729) 31.237 18.810 ( 0.000 7.874 -22.219) 23.573 19.149 ( 0.000 5.860 -11.126) 12.575 21.362 ( -0.000 -12.686 11.489) 17.115 22.729 ( 0.000 -33.505 -11.306) 35.361 ======================= Grid point 348 (123/189) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( 3.461 6.919 34.508) 35.365 3.509 ( 12.433 -3.088 23.034) 26.357 4.302 ( 11.417 -6.521 34.819) 37.219 4.996 ( -1.518 21.450 15.784) 26.674 5.012 ( 3.455 19.596 18.394) 27.098 6.784 ( -10.625 9.189 -2.611) 14.287 7.178 ( 4.574 16.168 -1.454) 16.865 7.401 ( -7.649 4.687 14.075) 16.691 7.957 ( 18.323 4.942 26.670) 32.733 9.009 ( -9.257 -16.976 -23.788) 30.655 9.347 ( 4.232 -18.123 -21.278) 28.268 9.527 ( -10.092 -19.034 -0.042) 21.544 10.476 ( -2.149 -6.214 -2.371) 6.990 10.811 ( 9.011 -35.407 -9.501) 37.750 11.115 ( 20.515 -38.614 -3.963) 43.904 14.190 ( -17.320 19.564 -3.202) 26.325 14.529 ( -2.300 40.428 23.830) 46.985 15.816 ( -10.726 19.300 -13.229) 25.740 16.832 ( 16.088 11.023 2.139) 19.619 17.498 ( 3.245 20.135 27.188) 33.987 18.544 ( -18.693 8.916 -23.788) 31.540 19.217 ( 5.672 3.620 -8.053) 10.494 21.291 ( 1.185 -16.258 6.635) 17.599 22.296 ( 0.186 -36.779 -14.101) 39.390 ======================= Grid point 349 (124/189) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.759 ( 12.528 -0.925 28.112) 30.792 3.912 ( 20.242 1.867 19.636) 28.263 4.691 ( 11.523 4.606 20.582) 24.034 5.147 ( -11.979 15.739 9.555) 21.967 5.417 ( 10.066 15.162 13.381) 22.589 6.659 ( -11.412 7.296 4.304) 14.213 7.312 ( -12.061 5.483 16.669) 21.293 7.448 ( 7.330 6.889 -15.711) 18.656 8.338 ( 2.793 -12.495 -10.718) 16.697 8.611 ( 4.699 -1.927 0.679) 5.124 9.133 ( 4.257 -13.695 -15.223) 20.915 9.220 ( -1.505 -18.134 -2.970) 18.437 10.239 ( 4.458 -35.633 -19.824) 41.019 10.433 ( -5.637 -5.066 -10.955) 13.321 11.466 ( 38.212 -31.597 24.958) 55.510 13.866 ( -32.737 23.205 -21.119) 45.345 15.104 ( -4.672 47.101 28.754) 55.382 15.782 ( -3.265 8.475 0.888) 9.125 17.188 ( 9.814 4.160 11.629) 15.775 17.964 ( 6.529 23.077 23.716) 33.729 18.118 ( -22.159 8.830 -23.108) 33.211 19.235 ( -2.232 -1.087 -0.567) 2.547 21.189 ( 4.570 -15.806 -3.054) 16.735 21.858 ( 2.892 -34.247 -19.781) 39.654 ======================= Grid point 350 (125/189) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.141 ( 15.211 -4.943 20.881) 26.303 4.416 ( 16.134 6.002 18.384) 25.186 4.971 ( 1.553 6.817 -7.543) 10.285 5.078 ( -9.087 12.382 9.059) 17.831 5.798 ( 12.268 6.144 12.099) 18.293 6.605 ( -14.555 8.213 18.476) 24.913 7.167 ( -10.853 -13.236 -13.210) 21.621 7.311 ( -5.864 -2.243 -9.306) 11.226 8.203 ( 8.886 10.156 -19.139) 23.418 8.652 ( 3.526 -23.446 -3.245) 23.931 9.003 ( 6.200 -4.504 -17.569) 19.168 9.272 ( 12.854 -2.304 8.264) 15.454 9.896 ( 7.885 -27.271 -14.924) 32.072 10.248 ( -9.250 3.901 -8.248) 12.992 12.024 ( 42.366 -34.383 32.717) 63.619 13.308 ( -40.498 28.546 -32.894) 59.472 15.605 ( -7.662 37.716 23.712) 45.205 15.867 ( -1.219 3.777 13.995) 14.547 17.371 ( -0.331 -4.138 18.887) 19.338 17.719 ( -17.878 8.966 -14.649) 24.791 18.455 ( 6.774 23.586 19.236) 31.180 19.105 ( -11.580 -6.328 7.130) 14.999 21.127 ( 11.530 -10.743 -15.080) 21.811 21.486 ( 6.691 -27.004 -24.937) 37.361 ======================= Grid point 351 (126/189) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.263 ( -16.116 8.560 0.347) 18.251 4.739 ( 6.603 -5.136 8.238) 11.741 4.879 ( -1.740 -1.625 13.451) 13.660 5.228 ( 7.604 -0.158 -7.350) 10.577 6.104 ( 4.959 3.979 14.442) 15.780 6.515 ( -17.862 3.028 20.550) 27.396 6.641 ( -7.494 -9.826 -31.993) 34.296 7.292 ( 1.727 3.839 4.470) 6.140 8.317 ( 1.204 -19.717 -5.486) 20.501 8.516 ( 15.144 7.035 -14.539) 22.141 9.051 ( 14.647 4.864 -22.665) 27.421 9.436 ( 13.614 -8.396 -13.254) 20.773 9.752 ( -8.145 -1.282 1.666) 8.412 10.157 ( 4.260 -0.434 -2.405) 4.911 12.504 ( -11.905 8.331 -7.582) 16.390 12.791 ( 12.072 -11.970 5.722) 17.938 15.824 ( -10.976 7.959 18.315) 22.787 15.931 ( -12.629 8.725 17.987) 23.646 17.355 ( -10.026 8.187 5.197) 13.949 17.595 ( 0.041 -3.753 13.274) 13.794 18.820 ( -19.463 -10.575 11.759) 25.078 18.876 ( 4.193 19.181 14.715) 24.536 21.192 ( 19.175 -2.695 -24.300) 31.071 21.245 ( 9.878 -14.915 -25.423) 31.086 ======================= Grid point 352 (127/189) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.927 ( -27.226 12.016 -8.868) 31.053 4.474 ( -24.828 -0.099 -6.893) 25.768 5.114 ( -6.609 -19.145 4.048) 20.654 5.150 ( 14.972 -12.155 16.269) 25.230 5.981 ( -16.219 -6.641 8.605) 19.525 6.221 ( -24.329 3.383 -3.027) 24.749 6.765 ( 14.307 16.289 3.790) 22.009 7.508 ( 16.385 4.031 3.758) 17.287 8.022 ( -0.630 -27.456 -4.746) 27.870 8.841 ( 17.120 13.140 -15.109) 26.345 9.235 ( 5.202 13.279 -14.214) 20.136 9.414 ( 5.463 -9.435 -11.640) 15.948 9.670 ( 6.799 14.535 -18.625) 24.584 10.309 ( 11.313 -1.921 2.963) 11.851 11.912 ( -40.576 30.102 -39.736) 64.277 13.326 ( 37.989 -31.114 36.258) 61.040 15.633 ( -24.439 -16.586 30.364) 42.359 15.855 ( -13.573 8.003 6.176) 16.924 17.328 ( -11.340 13.328 3.514) 17.849 17.760 ( 15.673 -11.758 18.392) 26.873 18.413 ( -24.569 -12.380 12.975) 30.418 19.153 ( 2.257 10.524 7.896) 13.349 21.153 ( 8.653 -2.612 -20.513) 22.416 21.433 ( 24.314 8.736 -26.929) 37.318 ======================= Grid point 353 (128/189) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.545 ( -26.553 13.750 -4.239) 30.201 3.941 ( -30.025 0.762 -8.230) 31.142 4.740 ( -21.059 -8.950 0.702) 22.893 5.190 ( -8.143 -15.056 14.964) 22.736 5.629 ( -32.010 -9.901 20.398) 39.227 6.021 ( 8.483 -0.219 -5.677) 10.210 7.108 ( -3.512 16.248 19.262) 25.443 7.670 ( -3.774 -20.011 -3.028) 20.588 8.015 ( 32.031 2.233 -4.830) 32.470 8.840 ( -19.883 4.096 -8.193) 21.891 9.323 ( 12.010 11.969 -11.351) 20.405 9.543 ( 14.271 1.537 -4.257) 14.972 10.008 ( 25.412 24.218 -32.250) 47.669 10.505 ( 13.739 3.319 -5.804) 15.279 11.303 ( -32.467 25.130 -35.363) 54.187 13.825 ( 25.099 -22.456 28.822) 44.328 15.149 ( -33.377 -23.274 33.623) 52.785 15.795 ( -1.681 -2.128 10.141) 10.497 17.200 ( -12.984 0.251 -3.102) 13.352 17.956 ( -26.880 -9.271 14.297) 31.827 18.109 ( 24.182 -12.680 17.290) 32.319 19.260 ( 1.836 -0.347 -0.697) 1.995 21.186 ( 4.329 8.669 -13.398) 16.535 21.806 ( 24.477 17.653 -25.083) 39.241 ======================= Grid point 360 (129/189) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( -0.000 -7.118 17.844) 19.211 3.635 ( -0.000 3.658 31.669) 31.879 4.360 ( -0.000 -12.570 44.701) 46.435 5.272 ( -0.000 25.079 9.891) 26.959 5.387 ( -0.000 24.431 15.992) 29.200 7.021 ( 0.000 7.721 -21.479) 22.824 7.078 ( -0.000 16.502 -1.693) 16.588 7.864 ( -0.000 6.684 29.164) 29.920 7.871 ( -0.000 -0.192 21.516) 21.517 8.827 ( 0.000 -16.838 -16.322) 23.450 8.854 ( 0.000 -24.868 -36.491) 44.159 9.387 ( 0.000 -31.341 1.704) 31.387 10.315 ( -0.000 -26.199 15.021) 30.199 10.328 ( 0.000 -37.357 -16.571) 40.867 10.744 ( 0.000 2.798 -4.083) 4.950 14.413 ( -0.000 3.340 1.425) 3.631 15.194 ( -0.000 50.966 29.605) 58.941 16.068 ( 0.000 26.988 -23.848) 36.015 16.750 ( -0.000 11.060 -0.947) 11.101 17.871 ( -0.000 21.865 29.200) 36.479 18.673 ( 0.000 10.587 -25.768) 27.858 19.118 ( 0.000 6.015 -10.892) 12.442 21.137 ( -0.000 -23.071 7.277) 24.192 21.803 ( 0.000 -45.118 -11.240) 46.497 ======================= Grid point 361 (130/189) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.618 ( 12.963 -10.166 15.262) 22.457 3.876 ( 4.436 0.253 29.042) 29.380 4.659 ( 12.987 -8.691 38.590) 41.634 5.569 ( -1.488 20.875 5.089) 21.537 5.609 ( -10.701 24.352 6.012) 27.271 6.902 ( -3.544 11.084 -11.457) 16.330 7.274 ( 4.604 8.904 -12.235) 15.817 7.747 ( -17.398 -0.210 20.189) 26.652 8.090 ( -1.138 -18.355 -11.713) 21.803 8.430 ( 8.434 -12.134 -10.571) 18.169 8.724 ( 11.444 -12.874 -6.588) 18.442 9.084 ( -0.888 -23.749 5.133) 24.313 9.795 ( -7.709 -26.759 -8.714) 29.179 10.394 ( 11.095 -12.634 3.707) 17.218 10.845 ( 16.000 -10.131 7.487) 20.365 14.333 ( -14.429 7.338 -5.094) 16.970 15.788 ( -9.339 38.183 14.189) 41.791 16.058 ( -7.871 31.334 -3.134) 32.459 17.051 ( 17.224 9.910 -0.005) 19.872 18.293 ( 1.843 22.889 26.766) 35.266 18.415 ( -18.395 10.896 -24.640) 32.622 19.185 ( 5.786 4.173 -8.136) 10.821 20.942 ( 1.145 -25.390 3.141) 25.609 21.302 ( 3.042 -45.616 -11.970) 47.258 ======================= Grid point 362 (131/189) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( 18.853 -12.363 18.655) 29.262 4.228 ( 18.036 -1.374 20.664) 27.463 5.062 ( 10.021 5.453 19.458) 22.556 5.450 ( -19.921 8.118 -1.848) 21.591 5.762 ( -1.325 13.771 -5.538) 14.902 6.912 ( -2.281 -0.440 -16.387) 16.551 7.142 ( -13.729 3.887 3.906) 14.794 7.559 ( -13.043 -0.809 14.086) 19.214 7.964 ( 10.034 3.415 -17.506) 20.465 8.289 ( 4.768 -23.113 -15.506) 28.238 8.724 ( 7.730 -16.711 -1.403) 18.465 9.127 ( 4.671 0.017 4.349) 6.382 9.512 ( 7.492 -15.469 1.668) 17.269 10.388 ( -4.589 2.303 -5.876) 7.803 11.223 ( 36.443 -27.953 26.481) 53.016 13.983 ( -31.278 18.467 -21.575) 42.247 15.831 ( -1.712 6.114 0.139) 6.351 16.421 ( -12.781 42.207 14.156) 46.316 17.375 ( 9.919 -0.366 9.986) 14.080 18.057 ( -19.004 13.132 -15.821) 27.998 18.722 ( 3.640 22.109 19.978) 30.019 19.214 ( -2.153 -0.482 -0.170) 2.213 20.754 ( 5.756 -21.092 -5.472) 22.538 20.897 ( 8.651 -36.381 -15.471) 40.469 ======================= Grid point 363 (132/189) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.247 ( 20.879 -12.120 20.385) 31.597 4.671 ( 20.247 -3.865 15.305) 25.673 4.995 ( -23.951 12.995 -14.603) 30.915 5.330 ( -12.993 9.458 -7.919) 17.917 5.869 ( 20.377 -6.889 4.890) 22.058 6.535 ( -13.330 -5.276 -20.308) 24.859 7.082 ( -20.934 4.927 23.062) 31.533 7.523 ( -8.170 11.929 13.899) 20.056 7.975 ( 4.606 -29.622 -15.329) 33.669 8.172 ( 17.929 9.018 -17.997) 26.957 8.783 ( 12.218 -2.341 -3.007) 12.799 9.101 ( 4.236 0.746 -16.296) 16.854 9.734 ( 13.504 -4.793 16.332) 21.727 10.237 ( -10.849 4.845 -8.422) 14.564 11.838 ( 44.500 -31.846 37.481) 66.328 13.385 ( -41.492 25.786 -35.090) 60.148 15.921 ( 4.725 -4.923 12.299) 14.065 16.466 ( -21.965 22.785 -5.194) 32.072 17.497 ( 0.134 -11.328 20.429) 23.360 17.868 ( -14.554 15.644 -2.246) 21.485 19.061 ( -0.353 8.731 10.103) 13.357 19.083 ( -9.774 -2.158 8.812) 13.336 20.706 ( 15.263 -11.187 -14.403) 23.781 20.739 ( 14.976 -11.428 -15.447) 24.362 ======================= Grid point 364 (133/189) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.445 ( -18.335 8.752 0.409) 20.321 4.733 ( 5.869 -3.837 7.136) 10.005 4.944 ( -19.278 2.050 -15.984) 25.126 5.002 ( 11.151 -13.336 13.420) 21.961 6.162 ( -13.886 2.994 -11.254) 18.123 6.364 ( 30.592 -1.775 -0.741) 30.652 6.789 ( -27.440 2.472 15.225) 31.478 7.663 ( 1.729 -17.822 -0.123) 17.906 7.670 ( -2.722 4.284 8.182) 9.629 8.498 ( 21.522 10.001 -18.998) 30.400 9.019 ( 15.029 5.725 -2.467) 16.270 9.178 ( 11.022 14.191 -18.766) 25.981 9.877 ( -10.738 3.708 3.527) 11.895 10.117 ( 6.923 -3.972 -0.537) 8.000 12.538 ( 25.769 -16.977 27.227) 41.153 12.687 ( -25.032 14.920 -26.962) 39.701 15.952 ( -7.689 -14.379 23.348) 28.478 16.183 ( -18.771 7.406 -10.720) 22.850 17.503 ( 1.130 -12.582 19.225) 23.004 17.726 ( -11.729 1.063 -2.998) 12.153 18.780 ( -20.493 -9.108 13.639) 26.248 19.197 ( 1.849 -0.948 -0.464) 2.129 20.853 ( 15.037 6.016 -9.824) 18.943 20.980 ( 22.675 12.117 -16.688) 30.651 ======================= Grid point 365 (134/189) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.098 ( -26.477 14.557 -8.244) 31.320 4.427 ( -28.015 5.312 -7.224) 29.414 4.909 ( 0.079 -8.681 12.825) 15.487 5.136 ( 8.128 -15.539 17.789) 24.979 5.938 ( -7.746 4.430 -4.976) 10.217 6.189 ( -27.942 -11.776 5.985) 30.907 7.113 ( 28.205 15.562 0.354) 32.215 7.423 ( 4.963 -21.207 -8.475) 23.371 7.872 ( -3.066 13.345 21.562) 25.542 8.758 ( 16.339 4.756 -24.205) 29.589 9.368 ( 14.623 13.581 4.176) 20.389 9.386 ( -3.150 11.941 -8.350) 14.907 9.754 ( 4.551 21.079 -19.023) 28.757 10.267 ( 12.723 -6.916 3.290) 14.850 11.923 ( -40.517 27.493 -42.605) 64.906 13.276 ( 37.770 -25.970 39.344) 60.407 15.647 ( -25.887 -21.731 27.570) 43.617 15.904 ( -10.347 -5.520 -1.672) 11.846 17.336 ( -14.786 -7.499 -12.826) 20.961 17.718 ( 17.877 -15.304 16.013) 28.464 18.422 ( -24.407 -6.997 17.058) 30.589 19.134 ( 2.486 -11.426 -9.073) 14.800 21.142 ( 8.776 19.016 -5.139) 21.564 21.444 ( 24.194 22.067 -16.661) 36.741 ======================= Grid point 373 (135/189) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( -0.000 -11.264 11.956) 16.426 4.016 ( -0.000 -3.997 25.250) 25.565 4.681 ( -0.000 -18.590 46.805) 50.362 5.836 ( -0.000 25.475 -2.696) 25.618 6.018 ( -0.000 25.761 3.785) 26.038 6.757 ( 0.000 0.110 -31.643) 31.644 7.380 ( -0.000 15.439 -0.649) 15.452 7.907 ( 0.000 -15.148 -13.420) 20.238 7.915 ( 0.000 -17.297 -9.559) 19.762 8.068 ( -0.000 -13.822 7.817) 15.879 8.605 ( -0.000 0.430 12.866) 12.873 8.880 ( -0.000 -21.237 10.323) 23.613 9.728 ( 0.000 -16.531 -3.870) 16.978 10.016 ( -0.000 -25.253 16.353) 30.085 10.762 ( 0.000 4.683 -5.207) 7.003 14.464 ( -0.000 -0.481 2.569) 2.613 16.224 ( 0.000 23.440 -26.699) 35.528 16.505 ( -0.000 40.149 16.139) 43.271 17.004 ( -0.000 22.225 1.337) 22.265 18.519 ( 0.000 8.896 -26.460) 27.916 18.668 ( -0.000 20.914 24.038) 31.863 19.096 ( 0.000 6.495 -10.455) 12.308 20.695 ( 0.000 -30.148 7.277) 31.014 20.756 ( 0.000 -48.749 -3.070) 48.846 ======================= Grid point 374 (136/189) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.571 ( 14.364 -12.252 11.542) 22.128 4.143 ( 4.871 -8.688 23.058) 25.118 4.933 ( 15.436 -17.442 39.143) 45.549 5.896 ( -17.895 17.985 -11.523) 27.866 6.007 ( -15.670 17.717 -14.805) 27.904 6.724 ( 7.856 4.381 -18.697) 20.748 7.452 ( 2.553 -2.796 -4.189) 5.646 7.585 ( -5.461 6.634 -2.532) 8.958 7.845 ( 2.384 -21.262 -12.696) 24.879 8.002 ( 0.160 1.329 10.213) 10.300 8.536 ( -5.695 -12.985 8.858) 16.718 9.069 ( 15.281 -2.687 17.802) 23.615 9.385 ( -10.602 -11.295 -0.838) 15.514 10.194 ( 22.123 -18.348 14.232) 32.073 10.801 ( 6.119 -1.483 1.296) 6.428 14.375 ( -12.592 3.805 -4.655) 13.953 16.031 ( -16.460 15.689 -18.775) 29.489 16.996 ( 8.217 24.554 2.091) 25.977 17.275 ( -1.858 21.270 -5.461) 22.038 18.328 ( -10.393 9.571 -15.003) 20.608 18.991 ( 1.338 14.890 14.315) 20.699 19.167 ( 5.990 5.396 -8.025) 11.375 20.357 ( 4.294 -37.932 4.154) 38.399 20.478 ( 1.517 -25.558 8.750) 27.057 ======================= Grid point 375 (137/189) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.851 ( 22.749 -13.730 14.023) 30.044 4.358 ( 16.361 -10.776 16.531) 25.633 5.319 ( 19.567 -15.134 22.660) 33.546 5.531 ( -27.718 18.530 -13.977) 36.153 5.766 ( -15.703 9.506 -18.046) 25.741 6.623 ( -9.683 3.624 -12.584) 16.286 7.427 ( 11.257 -23.484 -19.839) 32.739 7.594 ( -11.191 -0.082 16.669) 20.077 7.802 ( 7.760 16.574 2.415) 18.459 7.978 ( -9.327 2.997 1.385) 9.894 8.532 ( 11.860 -4.403 5.440) 13.771 9.104 ( -6.721 5.158 -4.144) 9.431 9.497 ( 18.112 -8.671 14.181) 24.583 10.356 ( -0.576 0.409 -1.310) 1.488 11.108 ( 33.813 -21.146 28.363) 48.938 14.013 ( -30.483 14.932 -22.738) 40.856 15.888 ( -1.531 3.254 -3.908) 5.310 16.970 ( -24.358 13.821 -21.532) 35.327 17.407 ( 11.233 -6.781 6.042) 14.446 18.198 ( -12.337 8.986 -6.259) 16.496 19.140 ( 1.270 -1.007 0.281) 1.645 19.213 ( -2.437 -0.360 0.483) 2.510 20.309 ( 13.142 -7.782 8.947) 17.701 20.444 ( 7.492 -4.832 7.929) 11.931 ======================= Grid point 376 (138/189) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.228 ( 25.567 -14.936 16.454) 33.874 4.661 ( 20.320 -13.726 9.954) 26.464 5.048 ( -24.833 10.174 -16.893) 31.711 5.311 ( -22.535 7.687 -15.648) 28.492 5.870 ( 23.717 -5.080 12.863) 27.455 6.420 ( -14.959 10.698 -5.346) 19.152 7.166 ( 9.276 -26.927 -19.011) 34.242 7.368 ( -27.724 -2.515 16.017) 32.117 8.057 ( 4.351 11.550 7.995) 14.706 8.109 ( 10.556 13.253 -6.741) 18.235 8.853 ( 15.633 10.331 10.003) 21.241 9.129 ( 2.501 16.857 -9.505) 19.513 9.769 ( 16.045 -11.616 10.517) 22.428 10.227 ( -12.870 5.442 -7.187) 15.713 11.806 ( 45.056 -25.849 41.995) 66.797 13.374 ( -41.578 22.631 -37.178) 60.192 15.941 ( 5.387 -7.953 9.373) 13.420 16.456 ( -21.306 -2.911 -24.137) 32.327 17.469 ( 1.327 -16.621 16.925) 23.758 17.908 ( -17.226 -2.069 -14.279) 22.470 19.043 ( 2.576 -14.909 -10.733) 18.550 19.083 ( -12.827 -4.944 10.033) 17.019 20.702 ( 15.600 18.875 9.221) 26.166 20.737 ( 15.147 15.600 2.029) 21.839 ======================= Grid point 377 (139/189) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.571 ( -14.176 0.936 -14.101) 20.017 4.571 ( 7.898 -11.809 14.101) 20.017 4.927 ( -10.049 2.001 -6.523) 12.147 4.927 ( 6.757 -7.703 6.523) 12.147 6.213 ( -3.895 -2.649 -6.020) 7.643 6.213 ( -0.347 -4.697 6.020) 7.643 7.069 ( 8.089 -4.592 -11.842) 15.058 7.069 ( -8.021 4.709 11.842) 15.058 8.306 ( 18.629 2.207 -26.470) 32.443 8.306 ( -7.403 17.237 26.470) 32.443 9.361 ( 9.925 22.579 -15.345) 29.048 9.361 ( 14.592 19.885 15.345) 29.048 9.978 ( -10.021 4.761 -11.493) 15.975 9.978 ( 9.133 -6.298 11.493) 15.975 12.608 ( -43.528 25.366 -44.066) 66.932 12.608 ( 43.731 -25.013 44.066) 66.932 15.919 ( -13.019 -16.412 -20.775) 29.503 15.919 ( -7.704 -19.481 20.775) 29.503 17.453 ( -18.138 -3.573 -17.906) 25.736 17.453 ( 5.975 -17.494 17.906) 25.736 18.841 ( 4.286 -19.789 -15.249) 25.348 18.841 ( -19.281 -6.183 15.249) 25.348 21.215 ( 19.623 22.601 -5.816) 30.491 21.215 ( 9.762 28.294 5.816) 30.491 ======================= Grid point 387 (140/189) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( -0.000 -12.420 9.358) 15.551 4.146 ( -0.000 -12.690 18.665) 22.571 4.855 ( -0.000 -26.159 44.382) 51.517 6.082 ( 0.000 19.238 -21.038) 28.508 6.445 ( 0.000 21.658 -10.225) 23.950 6.472 ( 0.000 7.938 -17.812) 19.501 7.117 ( 0.000 -24.806 -20.373) 32.100 7.539 ( 0.000 -10.833 -10.994) 15.434 7.909 ( -0.000 20.168 6.036) 21.052 8.048 ( -0.000 0.667 21.951) 21.961 8.773 ( -0.000 -6.186 13.622) 14.961 8.816 ( -0.000 -11.716 15.619) 19.525 9.522 ( -0.000 -4.084 5.828) 7.117 9.811 ( -0.000 -20.082 21.152) 29.167 10.779 ( 0.000 4.452 -5.812) 7.321 14.467 ( -0.000 -2.364 2.193) 3.224 16.264 ( 0.000 19.350 -29.791) 35.524 16.871 ( 0.000 6.437 -5.555) 8.502 17.522 ( 0.000 14.618 -32.160) 35.326 18.421 ( 0.000 13.266 -6.125) 14.612 19.063 ( 0.000 5.281 -7.342) 9.044 19.136 ( 0.000 0.449 -2.693) 2.730 20.129 ( -0.000 -20.449 26.065) 33.129 20.365 ( -0.000 -16.424 24.487) 29.484 ======================= Grid point 388 (141/189) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( 15.319 -12.980 8.933) 21.977 4.155 ( 5.578 -17.063 16.696) 24.516 4.998 ( 13.835 -26.192 34.191) 45.238 5.993 ( -16.851 17.283 -22.373) 32.912 6.084 ( -22.444 9.416 -14.085) 28.121 6.694 ( 2.456 9.284 -11.923) 15.309 6.844 ( 11.513 -24.370 -21.863) 34.705 7.481 ( 8.037 2.768 -5.819) 10.301 8.142 ( -4.099 19.602 19.960) 28.274 8.309 ( -8.362 10.817 14.918) 20.236 8.437 ( -4.330 -9.172 10.819) 14.830 9.142 ( 20.434 -11.928 11.194) 26.175 9.342 ( -13.901 2.533 7.688) 16.086 10.137 ( 25.039 -11.683 22.418) 35.581 10.800 ( 4.520 -0.055 0.596) 4.559 14.359 ( -12.471 1.891 -5.956) 13.949 16.030 ( -15.434 12.196 -22.124) 29.604 17.032 ( 5.300 -14.753 -27.867) 31.973 17.183 ( 0.642 2.120 -18.390) 18.522 18.424 ( -11.913 12.098 -11.482) 20.497 18.981 ( 0.963 -18.775 -10.421) 21.495 19.167 ( 6.710 6.053 -7.764) 11.914 20.320 ( 4.706 7.690 36.889) 37.974 20.483 ( 1.658 0.668 27.542) 27.600 ======================= Grid point 389 (142/189) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.740 ( 24.696 -14.097 9.679) 30.038 4.253 ( 15.699 -19.013 11.483) 27.199 5.122 ( 5.750 -19.511 5.025) 20.952 5.606 ( -20.968 3.741 -23.764) 31.912 5.810 ( -7.659 5.568 4.509) 10.488 6.549 ( 4.314 -32.430 -19.058) 37.862 6.832 ( -1.021 27.665 -2.943) 27.840 7.694 ( 11.586 7.720 -11.608) 18.127 7.880 ( -23.970 -10.429 7.575) 27.216 8.471 ( -1.673 19.687 21.486) 29.189 8.851 ( 13.833 20.969 19.145) 31.584 9.270 ( -4.828 10.364 1.755) 11.567 9.416 ( 17.223 -11.571 9.478) 22.811 10.388 ( -2.483 3.449 -0.423) 4.271 11.152 ( 35.503 -16.781 32.995) 51.291 13.960 ( -30.847 12.367 -25.092) 41.642 15.851 ( -0.772 -0.829 -6.847) 6.940 16.405 ( -11.955 -25.585 -36.379) 46.054 17.338 ( 8.493 -8.154 4.661) 12.662 18.130 ( -20.016 6.614 -17.157) 27.179 18.698 ( 3.052 -25.333 -15.380) 29.793 19.227 ( -1.891 0.735 0.980) 2.253 20.763 ( 6.360 12.139 18.223) 22.801 20.856 ( 9.005 26.266 28.866) 40.053 ======================= Grid point 400 (143/189) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( -0.000 -13.644 7.336) 15.491 4.027 ( -0.000 -20.799 12.867) 24.457 4.840 ( -0.000 -32.264 38.504) 50.235 6.074 ( 0.000 -4.332 -27.109) 27.453 6.294 ( 0.000 -28.236 -23.180) 36.532 6.366 ( 0.000 12.829 -15.212) 19.899 6.595 ( 0.000 13.154 -17.120) 21.590 7.560 ( -0.000 21.345 9.006) 23.167 8.438 ( -0.000 13.303 12.717) 18.404 8.530 ( -0.000 -0.082 17.841) 17.841 8.694 ( -0.000 -7.713 4.255) 8.809 8.815 ( -0.000 6.009 24.669) 25.391 9.705 ( -0.000 5.589 14.429) 15.474 9.826 ( -0.000 -12.426 27.301) 29.996 10.781 ( 0.000 3.685 -5.529) 6.645 14.432 ( 0.000 -3.085 0.511) 3.127 16.183 ( 0.000 15.414 -32.977) 36.401 16.512 ( 0.000 -31.450 -37.306) 48.794 17.005 ( 0.000 -0.337 -14.872) 14.876 18.624 ( 0.000 17.064 -16.770) 23.925 18.656 ( 0.000 -28.410 -12.830) 31.173 19.084 ( 0.000 7.386 -10.040) 12.464 20.695 ( -0.000 3.224 30.949) 31.116 20.706 ( -0.000 19.617 45.376) 49.435 ======================= Grid point 401 (144/189) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 15.954 -14.680 6.419) 22.610 3.934 ( 6.440 -24.360 11.237) 27.589 4.831 ( 7.702 -30.957 24.649) 40.314 5.638 ( -10.511 -17.027 -22.236) 29.914 5.958 ( 6.829 -30.187 -22.550) 38.293 6.147 ( -17.439 12.741 -12.510) 24.959 6.844 ( 17.589 12.541 -16.536) 27.204 7.823 ( -7.840 27.366 6.550) 29.211 8.177 ( -19.727 -16.223 6.645) 26.392 8.673 ( 9.388 -4.443 12.223) 16.040 8.952 ( 11.065 16.103 10.464) 22.164 9.292 ( 5.237 25.495 35.274) 43.837 9.581 ( -12.783 5.977 12.849) 19.085 10.294 ( 21.689 -3.438 21.044) 30.415 10.818 ( 8.058 -1.662 5.029) 9.643 14.290 ( -14.087 1.188 -9.092) 16.808 15.792 ( -8.064 -24.380 -32.555) 41.463 16.033 ( -5.730 -6.853 -32.431) 33.638 17.088 ( 13.494 -1.617 -6.054) 14.878 18.285 ( 1.418 -30.786 -13.541) 33.663 18.462 ( -19.322 14.460 -18.873) 30.637 19.190 ( 6.953 6.185 -6.934) 11.605 20.936 ( 1.554 5.492 24.697) 25.348 21.252 ( 3.138 26.932 38.853) 47.379 ======================= Grid point 413 (145/189) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( -0.000 -16.882 6.112) 17.954 3.694 ( -0.000 -27.843 8.977) 29.254 4.622 ( -0.000 -36.436 28.937) 46.529 5.375 ( 0.000 -25.503 -23.090) 34.403 5.425 ( 0.000 -29.337 -22.089) 36.723 6.440 ( 0.000 14.250 -17.013) 22.193 6.536 ( 0.000 2.825 -14.576) 14.847 8.211 ( 0.000 -26.444 0.966) 26.462 8.223 ( -0.000 14.517 0.901) 14.545 8.492 ( -0.000 2.203 16.401) 16.548 9.142 ( -0.000 24.145 11.116) 26.581 9.864 ( -0.000 28.678 36.993) 46.807 9.988 ( -0.000 -10.589 28.296) 30.212 10.078 ( -0.000 22.001 23.311) 32.054 10.787 ( 0.000 3.234 -2.506) 4.091 14.355 ( 0.000 -3.571 -3.782) 5.201 15.211 ( 0.000 -41.918 -37.421) 56.191 15.991 ( 0.000 11.719 -35.187) 37.087 16.886 ( 0.000 -1.082 -7.145) 7.227 17.882 ( 0.000 -31.836 -11.450) 33.832 18.694 ( 0.000 16.284 -19.654) 25.523 19.104 ( 0.000 8.065 -9.668) 12.591 21.119 ( -0.000 1.102 23.630) 23.656 21.749 ( -0.000 26.206 38.024) 46.180 ======================= Grid point 480 (146/189) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -0.000 0.000 40.423) 40.423 2.758 ( -0.000 0.000 40.423) 40.423 3.953 ( -0.000 0.000 50.194) 50.194 4.134 ( -0.000 0.000 23.810) 23.810 4.134 ( -0.000 0.000 23.810) 23.810 5.865 ( -0.000 0.000 36.776) 36.776 7.140 ( 0.000 -0.000 -13.536) 13.536 7.197 ( -0.000 0.000 14.526) 14.526 7.197 ( -0.000 0.000 14.526) 14.526 9.960 ( 0.000 -0.000 -9.529) 9.529 9.960 ( 0.000 -0.000 -9.529) 9.529 10.090 ( 0.000 -0.000 -14.435) 14.435 10.946 ( -0.000 0.000 12.887) 12.887 10.946 ( -0.000 0.000 12.887) 12.887 12.607 ( -0.000 0.000 10.076) 10.076 13.835 ( 0.000 -0.000 -16.841) 16.841 13.835 ( 0.000 -0.000 -16.841) 16.841 15.237 ( 0.000 -0.000 -28.024) 28.024 16.435 ( -0.000 0.000 14.240) 14.240 16.435 ( -0.000 0.000 14.240) 14.240 18.941 ( 0.000 -0.000 -15.872) 15.872 18.941 ( 0.000 -0.000 -15.872) 15.872 21.483 ( -0.000 0.000 18.346) 18.346 23.491 ( 0.000 -0.000 -10.720) 10.720 ======================= Grid point 481 (147/189) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( -0.909 -0.525 41.386) 41.399 3.218 ( 11.382 6.572 33.964) 36.419 4.230 ( -0.874 -0.504 30.311) 30.328 4.348 ( 5.083 2.935 31.639) 32.179 4.404 ( 9.399 5.426 20.659) 23.336 6.252 ( 10.389 5.998 34.643) 36.662 6.969 ( -8.093 -4.672 -4.157) 10.228 7.228 ( 1.399 0.808 4.515) 4.795 7.526 ( 12.963 7.484 20.401) 25.303 9.681 ( -11.682 -6.744 -20.614) 24.635 9.861 ( -8.156 -4.709 -5.006) 10.666 9.979 ( -1.448 -0.836 -12.201) 12.315 10.592 ( -16.901 -9.758 2.051) 19.623 11.450 ( 19.413 11.208 23.755) 32.662 12.769 ( -0.855 -0.494 7.495) 7.560 13.365 ( -6.899 -3.983 -20.354) 21.858 13.720 ( -13.125 -7.578 -20.420) 25.429 15.301 ( 14.809 8.550 -15.815) 23.292 16.508 ( 6.020 3.476 10.050) 12.220 16.754 ( 11.339 6.547 19.605) 23.576 18.604 ( -10.915 -6.302 -19.755) 23.433 19.080 ( 11.365 6.562 -13.746) 19.004 21.563 ( -3.388 -1.956 16.397) 16.857 23.274 ( -11.333 -6.543 -12.099) 17.822 ======================= Grid point 482 (148/189) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( 8.715 5.032 37.898) 39.211 3.689 ( 11.464 6.619 27.615) 30.624 4.434 ( 4.430 2.558 21.120) 21.731 4.675 ( 5.594 3.230 28.025) 28.760 4.787 ( 13.131 7.581 14.495) 20.976 6.697 ( 11.249 6.495 22.260) 25.772 6.751 ( -10.084 -5.822 1.776) 11.779 7.297 ( 3.545 2.047 -0.623) 4.140 8.042 ( 17.880 10.323 27.543) 34.422 9.195 ( -16.331 -9.429 -29.181) 34.744 9.573 ( -13.280 -7.667 -2.995) 15.624 9.851 ( -3.493 -2.017 -10.156) 10.928 10.295 ( -8.202 -4.735 -9.207) 13.208 12.106 ( 22.190 12.811 31.330) 40.473 12.400 ( -20.120 -11.616 -22.181) 32.121 13.152 ( -20.749 -11.979 -28.274) 37.060 13.473 ( 12.818 7.400 8.380) 17.009 15.535 ( 9.140 5.277 2.701) 10.894 16.820 ( 14.911 8.609 7.746) 18.880 17.176 ( 13.310 7.685 22.353) 27.127 18.197 ( -12.594 -7.271 -22.286) 26.611 19.214 ( 6.387 3.687 -8.549) 11.291 21.549 ( -5.312 -3.067 9.282) 11.125 22.871 ( -15.309 -8.838 -15.821) 23.723 ======================= Grid point 483 (149/189) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( 18.081 10.439 29.908) 36.474 4.050 ( 5.510 3.181 18.732) 19.784 4.674 ( 4.004 2.312 16.699) 17.328 4.991 ( 9.054 5.228 20.910) 23.378 5.147 ( 11.907 6.875 8.187) 16.002 6.560 ( -10.724 -6.191 11.597) 16.966 7.038 ( 9.132 5.272 11.232) 15.406 7.382 ( 6.020 3.475 -6.859) 9.765 8.584 ( -17.973 -10.377 -34.793) 40.512 8.635 ( 17.202 9.932 26.394) 33.033 9.290 ( -7.579 -4.376 -8.489) 12.192 9.679 ( -6.429 -3.712 -8.419) 11.225 10.062 ( -6.451 -3.724 -12.161) 14.261 11.774 ( -18.280 -10.554 -31.168) 37.642 12.461 ( -21.798 -12.585 -32.774) 41.323 12.838 ( 22.456 12.965 34.641) 43.270 13.878 ( 13.950 8.054 20.680) 26.213 15.756 ( 5.404 3.120 15.176) 16.409 17.197 ( 11.211 6.473 10.378) 16.592 17.633 ( 13.661 7.887 22.891) 27.800 17.767 ( -11.556 -6.672 -21.157) 25.014 19.232 ( -2.190 -1.264 -0.890) 2.681 21.466 ( -3.508 -2.025 -2.576) 4.800 22.407 ( -14.267 -8.237 -21.722) 27.262 ======================= Grid point 484 (150/189) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.126 ( -5.682 -3.281 3.170) 7.287 4.459 ( 22.154 12.791 20.645) 32.873 4.781 ( -2.728 -1.575 12.459) 12.851 5.382 ( 13.920 8.037 16.620) 23.121 5.451 ( 10.131 5.849 10.613) 15.795 6.400 ( -13.857 -8.000 20.259) 25.816 7.260 ( 6.565 3.790 3.604) 8.393 7.355 ( -6.082 -3.512 -25.890) 26.825 8.087 ( -0.719 -0.415 -24.084) 24.098 9.050 ( 10.158 5.865 -13.538) 17.913 9.174 ( -0.281 -0.162 11.853) 11.857 9.443 ( -10.371 -5.988 -6.419) 13.587 9.875 ( -1.880 -1.085 -9.242) 9.494 11.209 ( -12.705 -7.335 -30.991) 34.288 11.752 ( -20.423 -11.791 -36.303) 43.290 13.540 ( 18.775 10.840 33.281) 39.719 14.367 ( 14.750 8.516 28.862) 33.513 15.959 ( -0.793 -0.458 26.204) 26.220 17.231 ( -8.616 -4.975 -14.424) 17.522 17.629 ( 4.785 2.763 11.753) 12.987 18.082 ( 12.937 7.469 21.473) 26.158 19.099 ( -11.448 -6.610 6.880) 14.903 21.388 ( 3.064 1.769 -16.884) 17.251 21.962 ( -10.376 -5.991 -27.588) 30.077 ======================= Grid point 485 (151/189) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.874 ( -13.525 -7.809 -9.192) 18.122 4.608 ( -10.637 -6.141 -0.539) 12.294 5.143 ( 18.486 10.673 23.837) 31.998 5.714 ( 2.880 1.663 15.825) 16.171 5.776 ( 10.273 5.931 15.153) 19.243 6.172 ( -19.941 -11.513 22.763) 32.378 6.763 ( -17.603 -10.163 -42.559) 47.164 7.428 ( 10.721 6.190 -4.904) 13.316 8.263 ( 19.765 11.412 -9.662) 24.784 9.009 ( -3.129 -1.806 -13.753) 14.220 9.122 ( -15.148 -8.746 -4.140) 17.975 9.268 ( 9.593 5.539 -16.417) 19.805 9.912 ( 6.230 3.597 -2.568) 7.638 10.829 ( -4.901 -2.829 -20.628) 21.390 11.076 ( -17.545 -10.129 -37.679) 42.780 14.076 ( 10.785 6.226 24.727) 27.686 14.916 ( 15.002 8.661 34.284) 38.412 15.998 ( -15.826 -9.137 36.250) 40.596 16.958 ( -5.167 -2.983 -11.822) 13.243 17.881 ( 7.793 4.499 19.171) 21.178 18.491 ( 11.322 6.536 18.487) 22.643 18.814 ( -19.396 -11.198 12.201) 25.504 21.400 ( 11.857 6.846 -29.112) 32.171 21.586 ( -5.616 -3.242 -30.713) 31.390 ======================= Grid point 486 (152/189) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( -15.857 -9.155 -12.204) 22.005 4.242 ( -18.885 -10.903 -7.282) 22.990 5.487 ( -26.652 -15.388 -18.548) 35.932 5.537 ( -2.823 -1.630 25.743) 25.948 5.814 ( -22.884 -13.212 24.129) 35.783 6.061 ( 9.867 5.697 14.347) 18.321 6.408 ( 2.903 1.676 -6.384) 7.210 7.757 ( 23.273 13.437 -10.341) 28.794 8.674 ( 4.971 2.870 -10.287) 11.780 8.732 ( -1.792 -1.035 -0.326) 2.095 8.757 ( -11.288 -6.517 -7.064) 14.826 9.486 ( 25.892 14.949 -38.676) 48.885 9.995 ( 5.011 2.893 -11.474) 12.851 10.473 ( -13.978 -8.070 -35.975) 39.430 10.724 ( 1.774 1.024 -3.666) 4.200 14.334 ( 1.611 0.930 11.988) 12.131 15.479 ( 13.639 7.875 36.472) 39.727 15.718 ( -30.479 -17.597 39.473) 52.884 16.864 ( -0.614 -0.355 0.520) 0.880 18.246 ( 12.922 7.461 19.919) 24.888 18.393 ( -24.948 -14.404 13.596) 31.855 18.839 ( 9.351 5.399 14.412) 18.008 21.304 ( -1.680 -0.970 -29.380) 29.444 21.529 ( 18.733 10.816 -36.189) 42.161 ======================= Grid point 493 (153/189) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( -0.000 1.616 37.724) 37.759 3.378 ( -0.000 4.677 33.711) 34.033 4.405 ( -0.000 -2.202 21.346) 21.459 4.483 ( -0.000 9.252 15.913) 18.407 4.607 ( -0.000 6.115 37.161) 37.661 6.493 ( -0.000 8.851 32.575) 33.756 6.951 ( 0.000 1.536 -15.996) 16.070 7.366 ( -0.000 2.093 23.076) 23.170 7.575 ( -0.000 7.013 19.762) 20.970 9.582 ( 0.000 -13.250 -17.636) 22.059 9.703 ( 0.000 -9.318 -23.172) 24.975 9.949 ( 0.000 1.177 -7.884) 7.971 10.822 ( -0.000 -12.890 10.097) 16.374 11.181 ( -0.000 -17.275 21.340) 27.456 12.703 ( 0.000 -57.369 -29.173) 64.360 13.143 ( -0.000 37.156 16.715) 40.743 14.048 ( 0.000 20.816 -12.490) 24.276 15.153 ( 0.000 24.326 -25.456) 35.210 16.520 ( -0.000 -2.637 11.991) 12.277 16.924 ( -0.000 16.860 21.995) 27.713 18.584 ( 0.000 -1.062 -21.471) 21.497 18.912 ( 0.000 9.267 -15.913) 18.415 21.662 ( -0.000 -7.543 17.271) 18.846 23.161 ( 0.000 -17.910 -12.243) 21.695 ======================= Grid point 494 (154/189) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.505 ( 1.714 4.440 37.161) 37.465 3.720 ( 10.291 0.946 28.206) 30.040 4.529 ( 0.992 2.196 18.104) 18.264 4.766 ( 7.382 11.216 11.169) 17.465 4.912 ( 0.798 7.892 32.479) 33.434 6.709 ( -1.831 -1.023 8.462) 8.718 6.906 ( 3.408 8.978 -2.834) 10.012 7.427 ( -10.900 4.733 20.593) 23.775 8.010 ( 18.308 8.093 27.874) 34.317 9.144 ( -13.998 -14.052 -27.590) 33.979 9.522 ( 4.799 -13.975 -18.875) 23.970 9.807 ( -9.264 -6.584 -3.733) 11.963 10.464 ( -18.591 -4.185 -0.695) 19.069 11.553 ( 32.869 -30.752 18.806) 48.783 11.959 ( 6.241 -53.562 -23.169) 58.691 13.581 ( -16.776 36.123 5.063) 40.149 13.918 ( -18.750 33.556 -3.813) 38.628 15.405 ( 14.224 16.886 -11.445) 24.868 16.695 ( 12.889 3.864 8.068) 15.689 17.300 ( 5.019 17.749 24.416) 30.601 18.272 ( -15.698 1.788 -23.439) 28.267 19.031 ( 11.462 7.498 -14.313) 19.811 21.637 ( -4.054 -11.758 13.497) 18.353 22.802 ( -7.203 -23.621 -13.656) 28.219 ======================= Grid point 495 (155/189) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.888 ( 9.086 6.210 34.287) 36.009 4.081 ( 11.183 -0.277 22.404) 25.041 4.708 ( 4.520 3.278 11.331) 12.632 4.993 ( 0.286 5.907 9.343) 11.057 5.263 ( 6.652 14.566 21.798) 27.047 6.643 ( -2.060 -3.374 1.965) 4.415 7.121 ( 6.067 10.919 1.695) 12.606 7.405 ( -9.652 2.873 13.967) 17.219 8.487 ( -7.209 -12.903 -19.547) 24.506 8.630 ( 8.230 4.109 11.415) 14.661 9.304 ( -3.070 -12.305 -9.677) 15.953 9.528 ( -4.164 -15.252 -7.228) 17.384 10.191 ( -12.278 5.809 -10.531) 17.187 11.142 ( 4.423 -56.143 -26.950) 62.433 12.264 ( 42.713 -29.716 28.549) 59.351 13.148 ( -44.171 30.828 -27.961) 60.690 14.346 ( -3.705 47.889 24.728) 54.023 15.714 ( 12.114 5.136 5.888) 14.415 17.090 ( 17.883 9.024 6.315) 21.003 17.737 ( 6.820 17.122 24.430) 30.602 17.845 ( -17.474 2.344 -23.170) 29.115 19.172 ( 6.768 4.073 -8.952) 11.939 21.483 ( -6.249 -13.461 4.698) 15.567 22.315 ( -9.439 -24.525 -17.571) 31.612 ======================= Grid point 496 (156/189) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.262 ( -2.474 2.915 10.420) 11.099 4.407 ( 13.579 9.196 25.404) 30.238 4.894 ( 5.968 3.261 5.316) 8.632 5.057 ( 6.196 -7.554 7.991) 12.621 5.680 ( 7.271 18.592 17.350) 26.449 6.628 ( -3.984 -1.835 12.339) 13.095 7.223 ( -1.527 -3.641 -16.563) 17.027 7.335 ( -9.342 1.353 9.690) 13.528 7.964 ( -4.505 -2.464 -27.246) 27.725 8.874 ( 3.334 -5.199 -9.316) 11.177 9.159 ( -2.435 -14.011 5.120) 15.115 9.376 ( 8.903 -4.892 0.630) 10.179 9.974 ( -12.094 7.042 -13.349) 19.341 10.576 ( 7.736 -44.330 -22.052) 50.112 12.407 ( -43.521 28.077 -30.130) 59.919 12.969 ( 40.987 -28.080 27.836) 56.950 14.908 ( -5.888 46.642 26.702) 54.066 16.009 ( 11.076 -1.189 17.973) 21.145 17.330 ( -11.138 5.750 -10.374) 16.271 17.598 ( 7.195 3.659 3.083) 8.641 18.182 ( 7.544 17.296 21.749) 28.794 19.199 ( -2.014 -0.885 -0.858) 2.361 21.257 ( -3.446 -11.111 -8.923) 14.661 21.805 ( -7.415 -21.493 -23.504) 32.702 ======================= Grid point 497 (157/189) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.080 ( -19.446 4.320 -8.351) 21.600 4.770 ( -9.204 4.700 -1.231) 10.408 5.020 ( 17.409 0.665 22.211) 28.228 5.358 ( 25.596 -11.519 12.213) 30.611 6.062 ( 2.877 14.857 17.027) 22.780 6.563 ( -12.613 0.167 4.113) 13.268 6.681 ( -20.617 -15.300 -22.491) 34.132 7.320 ( 0.120 -2.035 5.893) 6.236 8.050 ( 14.591 15.491 -12.571) 24.717 8.786 ( 8.749 -2.992 -24.669) 26.345 8.899 ( -3.963 -21.443 -4.816) 22.331 9.514 ( -2.914 3.072 2.161) 4.754 9.743 ( -3.181 -5.433 -16.926) 18.059 10.319 ( 10.561 -19.823 -4.934) 22.996 11.711 ( -44.257 31.509 -36.531) 65.468 13.588 ( 40.038 -30.671 31.204) 59.308 15.364 ( -6.799 34.366 21.477) 41.091 16.264 ( 2.983 -7.361 29.606) 30.653 17.077 ( -13.222 10.800 -8.935) 19.269 17.847 ( 8.689 -3.203 17.878) 20.134 18.604 ( 6.250 17.694 17.605) 25.731 19.064 ( -12.362 -6.826 7.549) 16.012 21.080 ( 5.590 -3.920 -24.561) 25.492 21.364 ( -2.441 -14.725 -28.992) 32.609 ======================= Grid point 498 (158/189) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.682 ( -22.605 4.404 -12.106) 26.018 4.447 ( -20.475 -3.302 -10.628) 23.304 5.509 ( 6.395 -15.739 6.977) 18.366 5.516 ( 4.070 -11.632 12.551) 17.589 5.989 ( -1.682 -3.649 -13.459) 14.046 6.323 ( -21.320 -1.301 22.641) 31.127 6.507 ( 0.471 14.605 10.058) 17.740 7.432 ( 13.434 3.189 -1.917) 13.940 8.425 ( 18.125 12.894 -9.382) 24.142 8.554 ( -2.078 -23.675 -7.648) 24.966 8.844 ( 12.184 9.217 -27.982) 31.881 9.334 ( -18.172 11.264 -9.265) 23.301 9.601 ( 12.553 -17.331 -17.087) 27.385 10.373 ( 4.721 -1.904 0.135) 5.092 11.100 ( -32.786 26.457 -30.735) 52.149 14.075 ( 25.923 -23.269 22.839) 41.654 15.647 ( 0.478 11.632 17.289) 20.843 16.266 ( -18.270 -14.980 39.164) 45.738 17.032 ( -7.403 16.623 3.360) 18.505 18.098 ( 14.564 -7.684 19.432) 25.471 18.748 ( -21.574 -12.060 12.530) 27.711 18.956 ( 3.527 15.276 13.117) 20.441 21.061 ( 8.159 -0.903 -32.471) 33.492 21.076 ( 10.162 1.758 -33.201) 34.766 ======================= Grid point 506 (159/189) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.774 ( -0.000 4.530 32.768) 33.079 3.774 ( -0.000 -6.102 25.453) 26.175 4.699 ( -0.000 5.122 22.300) 22.881 4.906 ( -0.000 18.047 7.078) 19.386 5.203 ( -0.000 7.749 30.858) 31.816 6.767 ( 0.000 3.936 -20.306) 20.684 6.881 ( -0.000 3.570 11.839) 12.365 7.912 ( -0.000 9.641 33.035) 34.413 7.979 ( -0.000 4.158 23.654) 24.017 9.028 ( 0.000 -15.962 -21.082) 26.443 9.048 ( 0.000 -19.195 -33.601) 38.698 9.814 ( 0.000 -8.868 -3.353) 9.481 10.700 ( 0.000 -10.009 1.821) 10.173 10.984 ( -0.000 -29.008 21.470) 36.089 11.166 ( 0.000 -54.427 -23.289) 59.200 14.152 ( -0.000 26.421 -0.990) 26.439 14.444 ( -0.000 40.991 17.302) 44.493 15.348 ( 0.000 28.928 -26.229) 39.048 16.642 ( -0.000 0.978 8.333) 8.390 17.632 ( -0.000 21.692 26.318) 34.105 18.322 ( 0.000 6.302 -25.873) 26.629 18.880 ( 0.000 9.234 -15.750) 18.257 21.619 ( -0.000 -18.458 13.950) 23.137 22.494 ( 0.000 -32.942 -12.230) 35.139 ======================= Grid point 507 (160/189) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.952 ( 12.332 -9.971 21.470) 26.692 4.053 ( 3.852 3.102 31.110) 31.501 4.875 ( -4.731 9.086 17.678) 20.431 5.159 ( 1.423 19.856 1.681) 19.978 5.456 ( 0.280 4.954 27.153) 27.603 6.655 ( -0.497 4.742 -13.567) 14.380 7.046 ( 6.461 5.567 0.160) 8.530 7.861 ( -18.820 4.167 24.915) 31.501 8.339 ( -8.080 -17.215 -18.501) 26.531 8.555 ( 10.292 -2.261 5.909) 12.081 8.922 ( 13.133 -15.307 -17.150) 26.475 9.559 ( -12.110 -18.019 1.432) 21.758 10.395 ( -16.418 -8.405 -4.050) 18.884 10.442 ( 0.517 -37.648 -18.340) 41.880 11.412 ( 41.262 -29.875 23.131) 55.947 13.952 ( -34.988 22.973 -19.188) 46.044 15.055 ( -2.145 50.325 26.350) 56.847 15.579 ( 12.046 16.277 -11.429) 23.252 16.875 ( 17.889 6.209 3.873) 19.328 18.037 ( 1.358 21.626 25.473) 33.443 18.048 ( -16.802 8.795 -24.415) 30.915 18.989 ( 11.101 7.911 -14.530) 19.923 21.457 ( -4.939 -22.404 10.033) 25.039 22.029 ( -4.374 -36.439 -12.642) 38.817 ======================= Grid point 508 (161/189) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.257 ( 17.044 -9.683 20.434) 28.316 4.406 ( 12.598 1.618 28.049) 30.791 4.894 ( -11.865 10.036 -0.750) 15.559 5.246 ( -10.251 13.491 -2.069) 17.070 5.733 ( 10.603 0.764 21.251) 23.761 6.697 ( 3.691 8.469 -8.565) 12.598 7.117 ( -2.790 -1.501 -5.941) 6.732 7.708 ( -15.152 -3.013 12.690) 19.992 7.821 ( -7.983 -3.325 -18.599) 20.511 8.593 ( 7.624 -18.743 -16.540) 26.134 9.097 ( 7.553 -14.197 9.369) 18.611 9.205 ( -5.417 -7.121 1.844) 9.135 9.937 ( 2.671 -29.439 -7.257) 30.438 10.222 ( -8.682 5.340 -11.446) 15.326 12.031 ( 46.317 -33.090 30.886) 64.762 13.332 ( -46.072 28.333 -30.933) 62.308 15.620 ( -4.583 41.876 21.394) 47.247 15.873 ( 12.157 5.743 5.963) 14.708 17.325 ( 20.848 8.093 3.406) 22.621 17.685 ( -17.390 11.486 -18.893) 28.130 18.444 ( 2.228 20.935 23.332) 31.426 19.136 ( 7.368 4.811 -9.431) 12.899 21.166 ( -7.486 -22.181 1.366) 23.450 21.502 ( -5.132 -34.376 -15.333) 37.989 ======================= Grid point 509 (162/189) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.452 ( -13.963 8.760 2.195) 16.629 4.798 ( 9.755 -7.919 14.359) 19.080 4.883 ( 24.029 -1.097 10.480) 26.238 5.094 ( -14.194 5.566 -7.369) 16.934 6.068 ( 14.535 -2.905 16.035) 21.836 6.498 ( -12.674 -9.177 -33.893) 37.330 7.035 ( -10.446 11.268 20.623) 25.717 7.542 ( -15.846 -1.642 17.036) 23.324 7.830 ( 15.022 11.691 -18.398) 26.473 8.387 ( 6.239 -21.632 -18.768) 29.311 8.851 ( -8.629 -8.348 -1.749) 12.133 9.195 ( 9.105 -17.714 -11.117) 22.809 9.891 ( -1.446 0.601 6.030) 6.230 10.085 ( 0.583 0.897 -5.310) 5.416 12.541 ( -36.326 21.989 -23.910) 48.731 12.765 ( 34.878 -24.970 22.110) 48.258 15.937 ( -12.186 28.600 7.136) 31.896 16.172 ( 14.957 -5.643 16.469) 22.952 17.451 ( -15.201 20.422 -3.141) 25.652 17.748 ( 14.108 -0.449 9.754) 17.157 18.823 ( 3.143 19.120 17.201) 25.911 19.178 ( -1.903 -0.227 -0.519) 1.986 20.841 ( -3.359 -15.009 -11.889) 19.439 21.028 ( -1.367 -25.118 -19.680) 31.938 ======================= Grid point 510 (163/189) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.117 ( -26.957 13.779 -12.036) 32.579 4.713 ( -21.314 2.709 -15.250) 26.347 5.156 ( 23.798 -15.848 17.977) 33.774 5.336 ( 17.732 -9.974 15.768) 25.740 5.958 ( -14.884 1.784 -29.073) 32.710 6.387 ( 16.284 -0.963 10.373) 19.331 6.974 ( -25.964 -0.382 23.543) 35.051 7.488 ( -4.522 11.133 13.406) 18.004 8.134 ( 13.703 -15.488 -21.633) 29.927 8.167 ( 13.782 1.112 -10.896) 17.604 8.712 ( -1.421 8.999 -11.956) 15.032 9.150 ( 12.468 -11.624 -9.623) 19.574 9.719 ( -18.820 9.260 -7.262) 22.196 10.243 ( 10.963 -3.733 7.829) 13.979 11.806 ( -44.850 29.282 -38.879) 66.185 13.424 ( 41.296 -29.577 34.385) 61.339 15.907 ( -11.982 11.746 -2.791) 17.010 16.440 ( 7.315 -14.367 28.240) 32.518 17.427 ( -13.372 19.176 3.092) 23.581 17.959 ( 7.370 -9.873 17.381) 21.305 19.034 ( -14.392 -7.439 9.144) 18.603 19.119 ( 2.424 11.541 9.119) 14.908 20.681 ( 8.517 1.823 -24.978) 26.453 20.760 ( 5.350 -6.662 -21.777) 23.393 ======================= Grid point 519 (164/189) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.849 ( -0.000 -14.254 18.522) 23.372 4.227 ( -0.000 0.722 26.066) 26.076 5.177 ( -0.000 5.859 29.755) 30.327 5.344 ( -0.000 22.762 -3.270) 22.996 5.689 ( -0.000 6.679 19.454) 20.569 6.522 ( 0.000 2.327 -27.862) 27.959 7.102 ( -0.000 9.801 5.144) 11.069 8.133 ( 0.000 -22.778 -32.025) 39.300 8.199 ( 0.000 -16.198 -7.974) 18.054 8.324 ( -0.000 -2.574 21.993) 22.143 8.666 ( -0.000 2.144 12.637) 12.817 9.445 ( 0.000 -27.568 3.273) 27.761 10.050 ( 0.000 -22.083 -12.763) 25.506 10.690 ( -0.000 -30.119 22.192) 37.412 10.692 ( 0.000 -2.998 0.293) 3.012 14.359 ( 0.000 11.312 -8.164) 13.951 15.535 ( 0.000 27.377 -28.798) 39.734 15.738 ( -0.000 49.610 23.547) 54.914 16.776 ( -0.000 4.204 4.517) 6.170 18.140 ( 0.000 10.831 -26.052) 28.214 18.415 ( -0.000 21.967 24.819) 33.144 18.854 ( 0.000 9.493 -15.421) 18.108 21.331 ( -0.000 -27.798 12.069) 30.305 21.609 ( 0.000 -41.840 -8.207) 42.637 ======================= Grid point 520 (165/189) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( 14.470 -15.238 16.768) 26.884 4.432 ( 6.062 -3.093 24.306) 25.241 5.294 ( -13.675 11.900 11.708) 21.580 5.517 ( -4.600 19.852 -10.820) 23.072 5.744 ( -3.886 -8.570 20.382) 22.450 6.490 ( 11.931 4.401 -24.621) 27.711 7.246 ( -0.588 13.234 6.173) 14.615 7.617 ( -9.139 -11.917 -21.802) 26.473 8.070 ( 10.152 -17.600 -15.817) 25.749 8.229 ( -15.024 -6.160 15.586) 22.508 8.879 ( 4.941 -13.109 10.863) 17.728 9.280 ( 0.784 -10.087 14.098) 17.353 9.679 ( -8.040 -19.234 -2.957) 21.055 10.365 ( -8.998 1.412 -4.870) 10.328 11.174 ( 40.363 -26.320 24.116) 53.884 14.087 ( -33.743 17.930 -19.821) 43.046 15.676 ( 8.892 11.992 -11.438) 18.807 16.304 ( -3.784 43.157 10.891) 44.671 17.025 ( 19.360 6.540 -0.999) 20.459 17.966 ( -12.616 14.607 -18.057) 26.430 18.773 ( 0.638 18.923 20.032) 27.564 18.953 ( 10.301 8.581 -14.490) 19.741 21.078 ( -6.074 -28.448 10.763) 31.016 21.135 ( -2.977 -39.768 -4.490) 40.131 ======================= Grid point 521 (166/189) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.244 ( 24.749 -15.502 16.211) 33.401 4.697 ( 12.571 -7.459 23.227) 27.444 5.076 ( -26.516 16.713 -12.442) 33.723 5.352 ( -15.482 11.139 -19.668) 27.397 5.872 ( 11.576 -15.296 25.833) 32.176 6.445 ( -6.560 2.506 -21.650) 22.761 7.445 ( 2.123 13.785 6.843) 15.536 7.467 ( 7.715 7.101 -9.075) 13.868 7.922 ( 7.369 -21.666 -18.751) 29.586 8.007 ( -19.188 -1.884 17.479) 26.024 8.791 ( 4.110 -17.384 5.197) 18.604 9.082 ( -16.353 -4.554 -1.678) 17.058 9.743 ( 16.491 -7.017 14.422) 23.004 10.216 ( -9.504 7.744 -10.700) 16.272 11.844 ( 47.672 -30.067 34.699) 66.187 13.425 ( -46.446 24.757 -32.684) 61.954 15.913 ( 15.649 -2.139 5.919) 16.867 16.466 ( -17.157 25.104 -9.383) 31.822 17.452 ( 24.196 2.515 -0.708) 24.337 17.870 ( -11.184 20.385 -4.424) 23.669 19.054 ( 1.489 12.249 11.507) 16.872 19.111 ( 8.234 6.490 -9.839) 14.378 20.719 ( -3.065 -27.797 -0.753) 27.975 20.756 ( -8.904 -20.665 6.235) 23.349 ======================= Grid point 522 (167/189) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.655 ( -23.232 13.055 -19.097) 32.785 4.655 ( 22.922 -13.592 19.097) 32.785 5.016 ( -20.125 10.240 -18.784) 29.371 5.016 ( 18.930 -12.309 18.784) 29.371 6.132 ( -17.031 8.611 -18.574) 26.630 6.132 ( 15.973 -10.443 18.574) 26.630 7.557 ( 12.220 -19.701 -23.085) 32.716 7.557 ( -23.171 0.732 23.085) 32.716 7.844 ( 14.031 2.340 -15.849) 21.296 7.844 ( -4.989 13.321 15.849) 21.296 8.843 ( -2.220 3.056 -8.490) 9.293 8.843 ( 3.756 -0.394 8.490) 9.293 10.029 ( -10.749 7.002 -12.607) 17.986 10.029 ( 11.438 -5.808 12.607) 17.986 12.621 ( -48.563 26.720 -39.894) 68.293 12.621 ( 47.422 -28.696 39.894) 68.293 16.220 ( -17.912 10.320 -16.051) 26.172 16.220 ( 17.893 -10.352 16.051) 26.172 17.793 ( -11.306 7.691 -8.351) 16.022 17.793 ( 12.314 -5.945 8.351) 16.022 19.177 ( 0.036 -0.849 -0.782) 1.155 19.177 ( -0.753 -0.393 0.782) 1.155 20.555 ( -0.704 -0.166 -1.111) 1.326 20.555 ( 0.208 -0.693 1.111) 1.326 ======================= Grid point 533 (168/189) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.769 ( -0.000 -16.438 15.412) 22.533 4.471 ( -0.000 -6.549 18.710) 19.823 5.591 ( 0.000 17.010 -21.489) 27.407 5.623 ( -0.000 -13.752 44.668) 46.737 5.971 ( 0.000 14.548 -5.887) 15.694 6.179 ( 0.000 5.839 -24.465) 25.152 7.332 ( 0.000 -2.399 -10.029) 10.312 7.577 ( 0.000 -4.392 -13.413) 14.114 7.658 ( 0.000 -1.888 -6.504) 6.772 8.359 ( -0.000 -15.416 14.745) 21.332 8.954 ( -0.000 -1.650 17.953) 18.028 9.159 ( -0.000 -13.379 16.300) 21.088 9.686 ( 0.000 -8.658 -0.752) 8.691 10.441 ( -0.000 -27.451 26.059) 37.851 10.668 ( 0.000 1.660 -2.790) 3.246 14.426 ( 0.000 6.741 -7.896) 10.382 15.632 ( 0.000 23.760 -31.747) 39.653 16.669 ( -0.000 19.020 3.687) 19.374 16.961 ( 0.000 16.997 -9.432) 19.439 18.101 ( 0.000 14.549 -13.663) 19.959 18.829 ( 0.000 9.714 -14.628) 17.559 19.044 ( -0.000 11.899 11.593) 16.613 20.800 ( 0.000 -34.235 7.572) 35.063 20.956 ( -0.000 -27.190 18.706) 33.003 ======================= Grid point 534 (169/189) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.838 ( 15.179 -16.571 14.135) 26.548 4.567 ( 7.469 -11.673 17.412) 22.254 5.498 ( -11.535 15.888 -22.775) 30.069 5.666 ( -25.473 14.351 -16.665) 33.653 5.771 ( 4.304 -20.754 40.575) 45.778 6.406 ( 9.093 12.582 -15.123) 21.672 7.076 ( 5.911 -14.743 -23.071) 28.009 7.516 ( 5.195 -9.986 -13.103) 17.274 7.804 ( 0.194 21.951 11.851) 24.946 8.339 ( -5.286 -2.743 19.837) 20.712 8.748 ( -13.960 -12.737 10.283) 21.514 9.392 ( -10.278 -3.395 14.863) 18.387 9.455 ( 8.899 -9.787 7.035) 14.982 10.340 ( -4.368 0.773 -1.114) 4.573 11.056 ( 38.514 -19.647 25.955) 50.428 14.126 ( -32.884 13.872 -20.780) 41.299 15.708 ( 8.628 9.164 -14.476) 19.183 16.831 ( -12.244 16.246 -23.273) 30.911 17.033 ( 21.507 0.223 -6.059) 22.345 18.128 ( -5.588 13.617 -9.769) 17.666 18.924 ( 10.267 9.946 -14.189) 20.142 19.145 ( 0.531 -1.404 0.363) 1.544 20.613 ( -2.801 -16.259 20.093) 25.999 20.819 ( -6.932 -16.442 23.971) 29.883 ======================= Grid point 548 (170/189) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.633 ( -0.000 -17.213 13.495) 21.872 4.471 ( -0.000 -14.771 12.562) 19.391 5.624 ( 0.000 21.603 -23.814) 32.153 5.726 ( -0.000 -30.215 36.005) 47.004 6.115 ( 0.000 10.026 -18.020) 20.621 6.197 ( 0.000 17.298 -7.088) 18.694 6.656 ( 0.000 -25.057 -24.594) 35.110 7.400 ( 0.000 0.347 -2.620) 2.643 8.074 ( -0.000 23.836 9.332) 25.597 8.531 ( -0.000 7.539 26.121) 27.187 8.998 ( -0.000 -12.584 8.556) 15.217 9.074 ( -0.000 -13.999 9.541) 16.941 9.732 ( -0.000 2.483 13.589) 13.814 10.359 ( -0.000 -20.818 32.833) 38.877 10.675 ( 0.000 2.792 -2.487) 3.739 14.416 ( 0.000 3.808 -8.982) 9.756 15.611 ( 0.000 19.586 -34.571) 39.734 16.714 ( 0.000 -12.667 -27.261) 30.060 16.864 ( 0.000 5.679 -10.793) 12.196 18.232 ( 0.000 12.553 -14.384) 19.091 18.825 ( 0.000 9.976 -14.728) 17.789 19.024 ( 0.000 -15.585 -8.582) 17.792 20.756 ( -0.000 2.326 33.939) 34.018 20.952 ( -0.000 -8.165 31.909) 32.937 ======================= Grid point 641 (171/189) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.495 ( -0.000 0.000 33.098) 33.098 3.495 ( -0.000 0.000 33.098) 33.098 4.504 ( -0.000 0.000 12.308) 12.308 4.504 ( -0.000 0.000 12.308) 12.308 4.812 ( -0.000 0.000 36.561) 36.561 6.711 ( -0.000 0.000 46.300) 46.300 6.829 ( 0.000 -0.000 -17.471) 17.471 7.561 ( -0.000 0.000 21.992) 21.992 7.561 ( -0.000 0.000 21.992) 21.992 9.660 ( 0.000 -0.000 -19.732) 19.732 9.660 ( 0.000 -0.000 -19.732) 19.732 9.731 ( 0.000 -0.000 -21.776) 21.776 11.308 ( -0.000 0.000 22.458) 22.458 11.308 ( -0.000 0.000 22.458) 22.458 12.847 ( -0.000 0.000 14.014) 14.014 13.435 ( 0.000 -0.000 -22.913) 22.913 13.435 ( 0.000 -0.000 -22.913) 22.913 14.660 ( 0.000 -0.000 -29.182) 29.182 16.777 ( -0.000 0.000 19.687) 19.687 16.777 ( -0.000 0.000 19.687) 19.687 18.581 ( 0.000 -0.000 -19.936) 19.936 18.581 ( 0.000 -0.000 -19.936) 19.936 21.862 ( -0.000 0.000 19.259) 19.259 23.247 ( 0.000 -0.000 -13.605) 13.605 ======================= Grid point 642 (172/189) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.689 ( 1.736 1.002 33.591) 33.651 3.837 ( 7.990 4.613 27.613) 29.114 4.566 ( 1.509 0.871 9.158) 9.322 4.684 ( 8.342 4.816 6.870) 11.831 5.058 ( 0.407 0.235 33.047) 33.051 6.712 ( 0.153 0.089 -17.295) 17.296 6.972 ( -2.143 -1.237 36.991) 37.074 7.541 ( -7.787 -4.496 22.358) 24.098 8.020 ( 17.323 10.001 28.578) 34.883 9.188 ( -17.014 -9.823 -28.244) 34.405 9.615 ( 0.653 0.377 -18.784) 18.800 9.665 ( 2.722 1.572 -19.428) 19.681 10.767 ( -32.471 -18.747 14.481) 40.194 11.988 ( 24.060 13.891 29.313) 40.387 12.632 ( -26.204 -15.129 -22.416) 37.657 13.252 ( -17.897 -10.333 -25.663) 32.949 13.261 ( 16.905 9.760 11.777) 22.798 14.949 ( 31.882 18.407 -19.665) 41.737 16.776 ( -0.200 -0.116 16.813) 16.814 17.184 ( 12.878 7.435 23.023) 27.407 18.178 ( -12.425 -7.174 -22.716) 26.867 18.754 ( 15.151 8.748 -18.620) 25.549 21.902 ( -7.502 -4.331 17.309) 19.355 23.008 ( -12.110 -6.992 -14.392) 20.067 ======================= Grid point 643 (173/189) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.015 ( 6.992 4.037 33.269) 34.234 4.177 ( 6.310 3.643 20.097) 21.377 4.710 ( 6.020 3.476 7.347) 10.114 4.938 ( 11.715 6.764 1.370) 13.597 5.256 ( -0.780 -0.450 28.617) 28.631 6.640 ( 3.073 1.774 -12.228) 12.733 7.134 ( -0.495 -0.286 22.951) 22.958 7.498 ( -8.623 -4.979 19.455) 21.855 8.555 ( -20.197 -11.661 -34.334) 41.506 8.622 ( 16.767 9.680 28.796) 34.700 9.437 ( -6.604 -3.813 -12.380) 14.540 9.577 ( 0.348 0.201 -17.320) 17.324 10.191 ( -21.921 -12.656 0.854) 25.326 11.876 ( -24.815 -14.327 -27.491) 39.709 12.556 ( -21.756 -12.561 -27.547) 37.282 12.767 ( 22.383 12.923 30.825) 40.227 13.784 ( 18.691 10.791 20.659) 29.876 15.535 ( 25.498 14.721 -4.416) 29.772 17.005 ( 11.438 6.604 12.002) 17.846 17.639 ( 13.385 7.728 23.553) 28.171 17.737 ( -12.493 -7.213 -23.305) 27.409 18.971 ( 13.478 7.782 -15.544) 21.996 21.753 ( -14.077 -8.128 11.081) 19.673 22.550 ( -18.740 -10.820 -16.187) 27.023 ======================= Grid point 644 (174/189) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.287 ( -4.696 -2.711 3.176) 6.284 4.424 ( 10.667 6.159 27.240) 29.896 4.889 ( 4.644 2.681 6.509) 8.434 5.262 ( 15.789 9.116 5.437) 19.026 5.443 ( 3.245 1.874 23.815) 24.108 6.683 ( 4.207 2.429 -5.892) 7.636 7.268 ( 1.756 1.014 12.850) 13.009 7.383 ( -12.920 -7.459 10.304) 18.131 7.893 ( -14.619 -8.440 -31.868) 36.063 8.921 ( -5.289 -3.053 -1.743) 6.350 9.351 ( 4.454 2.572 16.302) 17.094 9.447 ( -2.509 -1.448 -15.018) 15.295 9.800 ( -9.719 -5.611 -12.853) 17.063 11.194 ( -19.116 -11.037 -25.153) 33.465 11.801 ( -24.679 -14.248 -32.314) 43.084 13.514 ( 22.006 12.705 31.623) 40.567 14.365 ( 18.756 10.829 27.241) 34.801 16.033 ( 17.641 10.185 10.407) 22.875 17.227 ( -6.720 -3.880 -12.115) 14.387 17.501 ( 12.173 7.028 1.201) 14.108 18.085 ( 12.596 7.272 22.038) 26.405 19.128 ( 7.565 4.368 -9.601) 12.980 21.435 ( -16.786 -9.692 0.047) 19.383 21.985 ( -20.057 -11.580 -20.099) 30.665 ======================= Grid point 645 (175/189) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.043 ( -13.075 -7.549 -10.471) 18.374 4.698 ( -0.076 -0.044 -1.784) 1.786 5.097 ( 10.908 6.298 23.544) 26.701 5.699 ( 16.306 9.414 13.362) 23.087 5.750 ( 10.537 6.084 19.782) 23.224 6.531 ( -12.718 -7.343 -32.926) 36.053 6.977 ( -21.903 -12.646 14.604) 29.206 7.370 ( 0.699 0.403 7.650) 7.692 7.748 ( 11.757 6.788 -11.222) 17.614 8.671 ( -5.639 -3.256 -17.324) 18.507 9.259 ( -6.246 -3.606 -12.181) 14.156 9.389 ( -11.168 -6.448 -0.736) 12.917 9.707 ( 6.293 3.633 -5.247) 8.963 10.747 ( -7.754 -4.477 -13.214) 15.962 11.044 ( -22.622 -13.061 -33.648) 42.598 14.115 ( 14.021 8.095 23.049) 28.167 14.985 ( 18.516 10.690 32.288) 38.725 16.477 ( 11.236 6.487 23.943) 27.232 16.930 ( -7.457 -4.305 -11.568) 14.421 17.887 ( 13.443 7.761 11.073) 19.068 18.489 ( 10.984 6.342 18.962) 22.813 19.165 ( -1.608 -0.928 -0.805) 2.023 21.045 ( -11.792 -6.808 -16.025) 21.029 21.416 ( -16.104 -9.298 -26.191) 32.121 ======================= Grid point 654 (176/189) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.902 ( -0.000 2.873 29.016) 29.158 3.978 ( -0.000 3.155 26.143) 26.333 4.651 ( -0.000 4.207 4.844) 6.416 4.676 ( -0.000 8.723 2.999) 9.224 5.309 ( -0.000 5.231 31.258) 31.693 6.589 ( 0.000 1.018 -19.979) 20.005 7.156 ( -0.000 -13.697 34.259) 36.896 7.937 ( -0.000 9.664 32.439) 33.848 8.037 ( -0.000 6.716 26.004) 26.858 9.156 ( 0.000 -12.679 -24.358) 27.461 9.159 ( 0.000 -14.482 -31.021) 34.235 9.675 ( 0.000 11.813 -18.888) 22.278 11.128 ( -0.000 -23.978 19.625) 30.985 11.653 ( -0.000 -20.154 25.206) 32.272 12.129 ( 0.000 -59.299 -27.800) 65.493 13.487 ( -0.000 38.614 11.476) 40.284 13.754 ( 0.000 34.731 -10.826) 36.379 14.623 ( 0.000 26.321 -27.099) 37.778 16.826 ( -0.000 -9.614 18.405) 20.765 17.390 ( -0.000 19.879 24.268) 31.370 18.127 ( 0.000 -3.868 -24.028) 24.337 18.552 ( 0.000 12.099 -19.862) 23.257 22.014 ( -0.000 -10.628 17.784) 20.718 22.892 ( 0.000 -16.753 -14.572) 22.204 ======================= Grid point 655 (177/189) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.161 ( 4.596 4.610 27.321) 28.086 4.221 ( 7.557 -0.800 21.392) 22.702 4.729 ( -0.496 8.569 2.684) 8.994 4.854 ( 6.214 11.207 -2.134) 12.991 5.543 ( -3.233 6.919 29.121) 30.106 6.492 ( 3.561 1.953 -18.917) 19.348 7.217 ( 0.490 -13.791 25.561) 29.049 7.929 ( -19.143 6.210 27.436) 34.026 8.505 ( -13.798 -14.638 -25.330) 32.346 8.609 ( 14.010 5.126 19.674) 24.690 9.079 ( 13.474 -14.701 -23.729) 30.995 9.611 ( -5.543 7.931 -16.126) 18.806 10.578 ( -32.979 -17.973 11.740) 39.351 11.335 ( -0.694 -57.407 -23.897) 62.186 12.163 ( 45.235 -27.677 26.749) 59.395 13.270 ( -45.213 29.196 -25.398) 59.512 14.222 ( -0.865 50.967 23.563) 56.157 15.120 ( 33.822 22.139 -17.676) 44.119 16.933 ( 8.858 -4.732 15.963) 18.859 17.788 ( -11.221 4.169 -14.795) 19.032 17.796 ( 0.708 16.017 15.091) 22.018 18.694 ( 14.606 10.555 -19.253) 26.371 21.920 ( -8.770 -15.977 14.716) 23.425 22.518 ( -9.186 -22.591 -14.688) 28.469 ======================= Grid point 656 (178/189) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.410 ( -2.314 3.753 9.740) 10.692 4.515 ( 9.258 5.022 21.429) 23.878 4.813 ( 5.683 0.791 3.631) 6.791 5.045 ( 7.989 5.059 -1.969) 9.659 5.750 ( -2.926 11.562 25.495) 28.146 6.519 ( 8.461 3.640 -15.952) 18.420 7.251 ( 0.917 -11.558 16.001) 19.760 7.822 ( -19.442 3.744 23.675) 30.863 7.825 ( -16.761 -13.483 -32.599) 39.057 8.822 ( 6.064 -15.354 -13.841) 21.543 9.235 ( 14.530 1.592 11.113) 18.361 9.417 ( -8.978 -3.850 -6.110) 11.522 10.025 ( -22.517 -2.773 -3.338) 22.932 10.678 ( 2.318 -48.027 -18.775) 51.618 12.530 ( -49.897 28.246 -29.147) 64.320 12.881 ( 46.985 -28.747 28.824) 62.167 14.854 ( -2.387 49.117 24.818) 55.082 15.757 ( 29.300 12.561 -3.823) 32.108 17.233 ( 11.848 2.942 8.077) 14.638 17.409 ( -8.906 3.272 -17.735) 20.113 18.217 ( 4.738 18.022 23.077) 29.661 18.917 ( 13.926 8.507 -16.423) 23.152 21.608 ( -16.409 -19.273 7.834) 26.497 21.980 ( -14.435 -24.551 -15.778) 32.559 ======================= Grid point 657 (179/189) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.236 ( -19.130 5.043 -10.494) 22.394 4.755 ( -1.977 8.769 -3.805) 9.761 5.073 ( 14.525 -1.814 20.716) 25.366 5.253 ( 21.396 -12.386 12.135) 27.540 6.043 ( 3.108 17.419 19.103) 26.039 6.415 ( -8.152 -6.497 -33.723) 35.298 7.160 ( -6.236 -11.138 14.763) 19.517 7.529 ( 5.440 6.531 -12.388) 15.023 7.675 ( -15.550 0.935 17.139) 23.161 8.595 ( -1.545 -14.451 -16.565) 22.037 9.069 ( -7.987 -13.950 -8.887) 18.368 9.506 ( 8.695 -12.904 0.222) 15.562 9.698 ( -16.567 9.234 -9.774) 21.337 10.319 ( 8.459 -24.363 -3.510) 26.028 11.749 ( -49.378 28.628 -32.274) 65.569 13.577 ( 43.758 -28.944 29.683) 60.279 15.380 ( -3.529 36.486 19.403) 41.475 16.315 ( 25.531 4.398 9.780) 27.692 17.082 ( -13.048 10.946 -8.519) 19.043 17.728 ( 20.726 5.577 7.331) 22.681 18.601 ( 4.210 15.799 19.648) 25.561 19.088 ( 8.559 5.293 -10.483) 14.531 21.125 ( -19.374 -18.592 -3.494) 27.078 21.376 ( -15.443 -22.456 -18.687) 33.044 ======================= Grid point 668 (180/189) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.217 ( -0.000 -9.390 17.972) 20.277 4.328 ( -0.000 4.646 21.610) 22.104 4.918 ( 0.000 17.531 -5.807) 18.468 4.922 ( -0.000 19.188 2.681) 19.374 5.833 ( -0.000 6.532 28.903) 29.632 6.320 ( 0.000 0.678 -24.182) 24.191 7.240 ( -0.000 -14.707 25.084) 29.078 8.334 ( 0.000 -20.503 -34.936) 40.508 8.421 ( 0.000 -10.623 -3.826) 11.291 8.489 ( -0.000 1.521 25.192) 25.237 8.687 ( -0.000 2.977 8.529) 9.033 9.627 ( 0.000 6.217 -15.179) 16.403 10.620 ( 0.000 -47.604 -14.496) 49.762 10.999 ( -0.000 -23.172 10.811) 25.569 11.452 ( -0.000 -30.946 25.059) 39.820 13.898 ( 0.000 25.058 -20.349) 32.280 14.801 ( 0.000 28.133 -27.892) 39.616 14.904 ( -0.000 52.511 23.929) 57.706 16.890 ( -0.000 -7.756 16.313) 18.063 17.803 ( 0.000 4.964 -25.374) 25.855 18.144 ( -0.000 22.626 24.617) 33.435 18.525 ( 0.000 12.165 -19.638) 23.100 21.913 ( -0.000 -22.009 15.352) 26.834 22.243 ( 0.000 -29.836 -12.804) 32.467 ======================= Grid point 669 (181/189) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.327 ( 12.703 -11.436 14.613) 22.488 4.547 ( 4.888 4.854 15.658) 17.106 4.997 ( -8.855 14.867 -3.010) 17.564 5.064 ( -3.444 18.307 -9.085) 20.726 6.053 ( -2.183 3.718 28.750) 29.072 6.255 ( 10.314 2.471 -23.857) 26.108 7.266 ( -0.457 -10.175 20.561) 22.945 7.725 ( -14.787 -15.941 -29.246) 36.443 8.307 ( 9.444 -16.948 -16.382) 25.393 8.396 ( -17.477 -0.628 16.875) 24.302 9.103 ( 15.389 -0.307 19.558) 24.888 9.512 ( -8.195 -0.756 -7.461) 11.108 10.124 ( 2.124 -35.516 -12.077) 37.573 10.415 ( -31.039 -12.362 6.932) 34.122 11.936 ( 48.332 -31.502 28.597) 64.391 13.468 ( -46.961 27.251 -28.009) 61.094 15.291 ( 33.720 19.318 -17.941) 42.803 15.524 ( -2.585 47.338 18.625) 50.936 17.039 ( 13.521 -4.393 12.952) 19.232 17.579 ( -13.240 10.603 -20.574) 26.664 18.526 ( 0.993 20.847 22.148) 30.432 18.647 ( 13.234 11.157 -19.366) 25.974 21.690 ( -10.227 -25.508 13.170) 30.475 21.794 ( -7.248 -32.164 -10.703) 34.664 ======================= Grid point 670 (182/189) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.607 ( -11.453 10.028 -12.551) 19.730 4.607 ( 14.411 -4.905 12.551) 19.730 5.023 ( -3.655 5.240 -18.011) 19.111 5.023 ( 6.365 -0.545 18.011) 19.111 6.246 ( -0.162 0.673 -28.015) 28.024 6.246 ( 0.664 0.197 28.015) 28.024 7.322 ( 2.697 -2.278 -19.392) 19.711 7.322 ( -3.321 1.196 19.392) 19.711 8.180 ( 10.562 -19.373 -22.429) 31.463 8.180 ( -22.059 -0.539 22.429) 31.463 9.216 ( -7.633 -14.261 -2.816) 16.419 9.216 ( -8.534 -13.741 2.816) 16.419 9.989 ( -12.315 2.551 -10.169) 16.173 9.989 ( 8.367 -9.389 10.169) 16.173 12.679 ( -51.831 27.644 -33.383) 67.565 12.679 ( 49.856 -31.065 33.383) 67.565 15.901 ( 27.016 10.278 -5.656) 29.453 15.901 ( -4.607 28.535 5.656) 29.453 17.412 ( -8.187 18.738 -7.807) 21.889 17.412 ( 20.322 2.279 7.807) 21.889 18.862 ( 14.379 9.215 -17.767) 24.644 18.862 ( 0.790 17.060 17.767) 24.644 21.262 ( -11.991 -29.054 -8.451) 32.547 21.262 ( -19.166 -24.911 8.451) 32.547 ======================= Grid point 682 (183/189) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.175 ( -0.000 -14.053 12.731) 18.962 4.611 ( -0.000 2.323 9.844) 10.114 5.132 ( 0.000 16.691 -16.777) 23.666 5.370 ( -0.000 24.296 -3.071) 24.489 5.953 ( 0.000 -0.531 -27.636) 27.641 6.282 ( -0.000 -2.987 31.149) 31.292 7.320 ( -0.000 -6.488 17.266) 18.445 7.597 ( 0.000 -9.706 -21.075) 23.203 7.813 ( 0.000 -17.410 -21.954) 28.020 8.726 ( -0.000 -10.458 16.135) 19.227 9.080 ( -0.000 2.126 21.357) 21.463 9.526 ( -0.000 -6.767 4.670) 8.222 9.774 ( 0.000 -14.448 -14.233) 20.281 10.812 ( -0.000 -15.026 12.532) 19.566 11.194 ( -0.000 -30.699 28.016) 41.561 14.058 ( 0.000 20.442 -21.832) 29.908 14.942 ( 0.000 25.467 -29.916) 39.288 16.072 ( -0.000 39.173 8.064) 39.995 16.945 ( -0.000 -6.979 12.194) 14.050 17.696 ( 0.000 15.179 -16.769) 22.619 18.501 ( 0.000 12.288 -19.252) 22.839 18.851 ( -0.000 17.745 17.942) 25.235 21.480 ( 0.000 -33.086 -4.493) 33.390 21.617 ( -0.000 -27.756 16.520) 32.300 ======================= Grid point 805 (184/189) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.070 ( -0.000 0.000 24.172) 24.172 4.070 ( -0.000 0.000 24.172) 24.172 4.610 ( 0.000 -0.000 -1.574) 1.574 4.610 ( 0.000 -0.000 -1.574) 1.574 5.457 ( -0.000 0.000 28.868) 28.868 6.444 ( 0.000 -0.000 -21.067) 21.067 7.648 ( -0.000 0.000 46.044) 46.044 8.065 ( -0.000 0.000 27.797) 27.797 8.065 ( -0.000 0.000 27.797) 27.797 9.197 ( 0.000 -0.000 -26.044) 26.044 9.197 ( 0.000 -0.000 -26.044) 26.044 9.210 ( 0.000 -0.000 -30.524) 30.524 11.811 ( -0.000 0.000 27.202) 27.202 11.811 ( -0.000 0.000 27.202) 27.202 12.933 ( 0.000 -0.000 -27.004) 27.004 12.933 ( 0.000 -0.000 -27.004) 27.004 13.171 ( -0.000 0.000 18.460) 18.460 14.092 ( 0.000 -0.000 -27.174) 27.174 17.208 ( -0.000 0.000 23.030) 23.030 17.208 ( -0.000 0.000 23.030) 23.030 18.152 ( 0.000 -0.000 -22.790) 22.790 18.152 ( 0.000 -0.000 -22.790) 22.790 22.245 ( -0.000 0.000 18.914) 18.914 22.951 ( 0.000 -0.000 -15.970) 15.970 ======================= Grid point 806 (185/189) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.255 ( 4.519 2.609 22.590) 23.185 4.305 ( 5.101 2.945 18.722) 19.627 4.613 ( 3.845 2.220 -4.481) 6.308 4.684 ( 7.534 4.350 -6.162) 10.661 5.654 ( 0.077 0.045 27.115) 27.115 6.325 ( 2.749 1.587 -21.188) 21.424 7.724 ( -12.943 -7.473 38.088) 40.915 8.052 ( -10.108 -5.836 27.692) 30.051 8.567 ( -20.805 -12.012 -33.497) 41.221 8.625 ( 18.318 10.576 30.507) 37.123 9.157 ( 4.501 2.599 -25.906) 26.422 9.202 ( 6.877 3.970 -26.753) 27.907 11.128 ( -42.542 -24.561 20.899) 53.384 12.113 ( -27.767 -16.031 -26.970) 41.897 12.576 ( 20.177 11.649 23.398) 33.020 12.735 ( -13.371 -7.720 -20.150) 25.386 13.615 ( 20.295 11.717 21.515) 31.813 14.515 ( 41.654 24.049 -23.403) 53.489 17.169 ( -3.963 -2.288 22.071) 22.541 17.657 ( 13.180 7.610 23.890) 28.326 17.709 ( -12.906 -7.451 -23.850) 28.123 18.344 ( 17.347 10.015 -22.187) 29.892 22.248 ( -10.686 -6.170 17.183) 21.155 22.702 ( -11.974 -6.913 -16.167) 21.273 ======================= Grid point 807 (186/189) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.414 ( -3.875 -2.237 1.000) 4.585 4.516 ( 6.109 3.527 10.872) 12.960 4.760 ( 11.163 6.445 2.481) 13.126 4.921 ( 16.563 9.563 -0.327) 19.129 5.809 ( -1.974 -1.140 26.751) 26.848 6.316 ( 8.254 4.766 -19.820) 21.992 7.662 ( -12.288 -7.095 30.407) 33.555 7.854 ( -20.648 -11.921 -34.523) 41.956 7.973 ( -13.319 -7.690 26.039) 30.242 8.958 ( -1.191 -0.688 -13.765) 13.834 9.160 ( 4.510 2.604 -24.266) 24.819 9.266 ( 14.654 8.460 14.401) 22.219 10.332 ( -36.355 -20.990 12.026) 43.668 11.362 ( -23.448 -13.537 -22.989) 35.519 11.982 ( -26.358 -15.218 -27.927) 41.306 13.393 ( 24.910 14.382 29.315) 41.070 14.257 ( 22.115 12.768 26.013) 36.452 15.323 ( 40.083 23.142 -16.663) 49.192 17.258 ( -9.726 -5.615 -12.706) 16.958 17.355 ( 4.467 2.579 11.488) 12.593 18.102 ( 12.376 7.145 22.425) 26.592 18.603 ( 17.902 10.336 -20.956) 29.436 21.989 ( -21.093 -12.178 12.428) 27.344 22.228 ( -20.028 -11.563 -16.039) 28.144 ======================= Grid point 819 (187/189) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.371 ( -0.000 3.269 17.134) 17.443 4.407 ( -0.000 1.183 15.327) 15.372 4.603 ( 0.000 8.963 -9.738) 13.235 4.620 ( 0.000 9.704 -6.456) 11.655 5.865 ( -0.000 5.286 25.016) 25.568 6.156 ( 0.000 0.428 -23.342) 23.345 7.863 ( -0.000 -24.230 35.930) 43.337 8.470 ( 0.000 -16.830 -32.839) 36.900 8.558 ( -0.000 -1.710 8.348) 8.521 8.598 ( -0.000 4.537 24.740) 25.152 8.667 ( 0.000 0.376 -3.966) 3.984 9.216 ( 0.000 18.782 -26.426) 32.420 11.531 ( 0.000 -46.289 2.038) 46.334 11.648 ( 0.000 -39.655 -2.126) 39.712 12.173 ( -0.000 -22.751 26.554) 34.967 13.179 ( 0.000 31.220 -26.640) 41.041 14.037 ( -0.000 50.409 23.600) 55.660 14.091 ( 0.000 25.655 -25.655) 36.281 17.240 ( -0.000 -13.636 22.549) 26.352 17.639 ( 0.000 -5.390 -24.403) 24.991 17.878 ( -0.000 20.868 24.198) 31.953 18.125 ( 0.000 14.200 -22.673) 26.752 22.366 ( -0.000 -12.706 17.333) 21.492 22.583 ( 0.000 -14.964 -16.240) 22.083 ======================= Grid point 820 (188/189) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.499 ( 4.048 0.953 -1.654) 4.475 4.499 ( -1.199 3.982 1.654) 4.475 4.731 ( 9.907 8.892 -5.024) 14.229 4.731 ( 2.747 13.026 5.024) 14.229 6.066 ( 7.674 1.470 -23.579) 24.840 6.066 ( -2.565 7.381 23.579) 24.840 7.824 ( -18.298 -15.352 -33.721) 41.323 7.824 ( -4.146 -23.522 33.721) 41.323 8.496 ( 14.971 -16.653 -27.642) 35.575 8.496 ( -21.908 4.638 27.642) 35.575 9.193 ( -3.308 17.339 -24.540) 30.229 9.193 ( 16.670 5.804 24.540) 30.229 10.896 ( -1.159 -49.949 -19.404) 53.598 10.896 ( -42.678 -25.978 19.404) 53.598 12.722 ( -48.899 28.509 -28.378) 63.318 12.722 ( 49.139 -28.093 28.378) 63.318 14.703 ( 43.610 25.585 -23.402) 55.714 14.703 ( 0.352 50.560 23.402) 55.714 17.320 ( -12.444 0.867 -22.079) 25.359 17.320 ( 6.973 -10.343 22.079) 25.359 18.271 ( 15.701 12.611 -22.779) 30.404 18.271 ( 3.071 19.903 22.779) 30.404 22.219 ( -9.851 -19.969 -15.091) 26.899 22.219 ( -12.369 -18.515 15.091) 26.899 ======================= Grid point 976 (189/189) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.452 ( 0.000 -0.000 -13.839) 13.839 4.452 ( 0.000 -0.000 -13.839) 13.839 4.452 ( -0.000 0.000 13.839) 13.839 4.452 ( -0.000 0.000 13.839) 13.839 5.988 ( 0.000 -0.000 -24.560) 24.560 5.988 ( -0.000 0.000 24.560) 24.560 8.509 ( 0.000 -0.000 -39.451) 39.451 8.509 ( -0.000 0.000 39.451) 39.451 8.641 ( 0.000 -0.000 -29.036) 29.036 8.641 ( 0.000 -0.000 -29.036) 29.036 8.641 ( -0.000 0.000 29.036) 29.036 8.641 ( -0.000 0.000 29.036) 29.036 12.373 ( 0.000 -0.000 -28.544) 28.544 12.373 ( 0.000 -0.000 -28.544) 28.544 12.373 ( -0.000 0.000 28.544) 28.544 12.373 ( -0.000 0.000 28.544) 28.544 13.587 ( 0.000 -0.000 -23.152) 23.152 13.587 ( -0.000 0.000 23.152) 23.152 17.681 ( 0.000 -0.000 -23.974) 23.974 17.681 ( 0.000 -0.000 -23.974) 23.974 17.681 ( -0.000 0.000 23.974) 23.974 17.681 ( -0.000 0.000 23.974) 23.974 22.613 ( 0.000 -0.000 -17.761) 17.761 22.613 ( -0.000 0.000 17.761) 17.761 =================== 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 3/41472 10.0 22334.345 22334.345 25528.994 0.000 -0.000 -0.000 3/41472 20.0 1553.694 1553.694 1773.823 0.000 -0.000 -0.000 3/41472 30.0 453.116 453.116 548.590 0.000 -0.000 -0.000 3/41472 40.0 226.489 226.489 281.081 0.000 -0.000 -0.000 3/41472 50.0 144.656 144.656 181.195 0.000 -0.000 -0.000 3/41472 60.0 104.947 104.947 132.134 0.000 -0.000 -0.000 3/41472 70.0 82.121 82.121 103.806 0.000 -0.000 -0.000 3/41472 80.0 67.563 67.563 85.670 0.000 -0.000 -0.000 3/41472 90.0 57.589 57.589 73.174 0.000 -0.000 -0.000 3/41472 100.0 50.369 50.369 64.064 0.000 -0.000 -0.000 3/41472 110.0 44.904 44.904 57.116 0.000 -0.000 -0.000 3/41472 120.0 40.616 40.616 51.625 0.000 -0.000 -0.000 3/41472 130.0 37.149 37.149 47.158 0.000 -0.000 -0.000 3/41472 140.0 34.279 34.279 43.443 0.000 -0.000 -0.000 3/41472 150.0 31.855 31.855 40.295 0.000 -0.000 -0.000 3/41472 160.0 29.775 29.775 37.589 0.000 -0.000 -0.000 3/41472 170.0 27.968 27.968 35.235 0.000 -0.000 -0.000 3/41472 180.0 26.379 26.379 33.167 0.000 -0.000 -0.000 3/41472 190.0 24.971 24.971 31.335 0.000 -0.000 -0.000 3/41472 200.0 23.712 23.712 29.698 0.000 -0.000 -0.000 3/41472 210.0 22.578 22.578 28.228 0.000 -0.000 -0.000 3/41472 220.0 21.552 21.552 26.900 0.000 -0.000 -0.000 3/41472 230.0 20.618 20.618 25.693 0.000 -0.000 -0.000 3/41472 240.0 19.765 19.765 24.592 0.000 -0.000 -0.000 3/41472 250.0 18.980 18.980 23.583 0.000 -0.000 -0.000 3/41472 260.0 18.257 18.257 22.655 0.000 -0.000 -0.000 3/41472 270.0 17.589 17.589 21.799 0.000 -0.000 -0.000 3/41472 280.0 16.968 16.968 21.006 0.000 -0.000 -0.000 3/41472 290.0 16.390 16.390 20.270 0.000 -0.000 -0.000 3/41472 300.0 15.852 15.852 19.584 0.000 -0.000 -0.000 3/41472 310.0 15.347 15.347 18.943 0.000 -0.000 -0.000 3/41472 320.0 14.875 14.875 18.344 0.000 -0.000 -0.000 3/41472 330.0 14.430 14.430 17.782 0.000 -0.000 -0.000 3/41472 340.0 14.012 14.012 17.254 0.000 -0.000 -0.000 3/41472 350.0 13.618 13.618 16.757 0.000 -0.000 -0.000 3/41472 360.0 13.245 13.245 16.287 0.000 -0.000 -0.000 3/41472 370.0 12.893 12.893 15.844 0.000 -0.000 -0.000 3/41472 380.0 12.558 12.558 15.424 0.000 -0.000 -0.000 3/41472 390.0 12.241 12.241 15.026 0.000 -0.000 -0.000 3/41472 400.0 11.939 11.939 14.649 0.000 -0.000 -0.000 3/41472 410.0 11.652 11.652 14.290 0.000 -0.000 -0.000 3/41472 420.0 11.379 11.379 13.948 0.000 -0.000 -0.000 3/41472 430.0 11.118 11.118 13.622 0.000 -0.000 -0.000 3/41472 440.0 10.868 10.868 13.312 0.000 -0.000 -0.000 3/41472 450.0 10.630 10.630 13.015 0.000 -0.000 -0.000 3/41472 460.0 10.402 10.402 12.731 0.000 -0.000 -0.000 3/41472 470.0 10.183 10.183 12.460 0.000 -0.000 -0.000 3/41472 480.0 9.974 9.974 12.199 0.000 -0.000 -0.000 3/41472 490.0 9.773 9.773 11.950 0.000 -0.000 -0.000 3/41472 500.0 9.580 9.580 11.710 0.000 -0.000 -0.000 3/41472 510.0 9.394 9.394 11.480 0.000 -0.000 -0.000 3/41472 520.0 9.216 9.216 11.259 0.000 -0.000 -0.000 3/41472 530.0 9.044 9.044 11.047 0.000 -0.000 -0.000 3/41472 540.0 8.878 8.878 10.842 0.000 -0.000 -0.000 3/41472 550.0 8.718 8.718 10.644 0.000 -0.000 -0.000 3/41472 560.0 8.564 8.564 10.454 0.000 -0.000 -0.000 3/41472 570.0 8.416 8.416 10.271 0.000 -0.000 -0.000 3/41472 580.0 8.272 8.272 10.093 0.000 -0.000 -0.000 3/41472 590.0 8.133 8.133 9.922 0.000 -0.000 -0.000 3/41472 600.0 7.999 7.999 9.757 0.000 -0.000 -0.000 3/41472 610.0 7.869 7.869 9.597 0.000 -0.000 -0.000 3/41472 620.0 7.743 7.743 9.442 0.000 -0.000 -0.000 3/41472 630.0 7.621 7.621 9.292 0.000 -0.000 -0.000 3/41472 640.0 7.503 7.503 9.147 0.000 -0.000 -0.000 3/41472 650.0 7.389 7.389 9.006 0.000 -0.000 -0.000 3/41472 660.0 7.278 7.278 8.869 0.000 -0.000 -0.000 3/41472 670.0 7.170 7.170 8.737 0.000 -0.000 -0.000 3/41472 680.0 7.065 7.065 8.609 0.000 -0.000 -0.000 3/41472 690.0 6.964 6.964 8.484 0.000 -0.000 -0.000 3/41472 700.0 6.865 6.865 8.363 0.000 -0.000 -0.000 3/41472 710.0 6.769 6.769 8.245 0.000 -0.000 -0.000 3/41472 720.0 6.676 6.676 8.130 0.000 -0.000 -0.000 3/41472 730.0 6.585 6.585 8.019 0.000 -0.000 -0.000 3/41472 740.0 6.497 6.497 7.911 0.000 -0.000 -0.000 3/41472 750.0 6.411 6.411 7.805 0.000 -0.000 -0.000 3/41472 760.0 6.327 6.327 7.702 0.000 -0.000 -0.000 3/41472 770.0 6.245 6.245 7.602 0.000 -0.000 -0.000 3/41472 780.0 6.166 6.166 7.505 0.000 -0.000 -0.000 3/41472 790.0 6.088 6.088 7.410 0.000 -0.000 -0.000 3/41472 800.0 6.013 6.013 7.317 0.000 -0.000 -0.000 3/41472 810.0 5.939 5.939 7.227 0.000 -0.000 -0.000 3/41472 820.0 5.867 5.867 7.139 0.000 -0.000 -0.000 3/41472 830.0 5.796 5.796 7.053 0.000 -0.000 -0.000 3/41472 840.0 5.728 5.728 6.969 0.000 -0.000 -0.000 3/41472 850.0 5.661 5.661 6.887 0.000 -0.000 -0.000 3/41472 860.0 5.595 5.595 6.807 0.000 -0.000 -0.000 3/41472 870.0 5.531 5.531 6.729 0.000 -0.000 -0.000 3/41472 880.0 5.469 5.469 6.652 0.000 -0.000 -0.000 3/41472 890.0 5.408 5.408 6.578 0.000 -0.000 -0.000 3/41472 900.0 5.348 5.348 6.505 0.000 -0.000 -0.000 3/41472 910.0 5.290 5.290 6.433 0.000 -0.000 -0.000 3/41472 920.0 5.232 5.232 6.363 0.000 -0.000 -0.000 3/41472 930.0 5.176 5.176 6.295 0.000 -0.000 -0.000 3/41472 940.0 5.121 5.121 6.228 0.000 -0.000 -0.000 3/41472 950.0 5.068 5.068 6.162 0.000 -0.000 -0.000 3/41472 960.0 5.015 5.015 6.098 0.000 -0.000 -0.000 3/41472 970.0 4.964 4.964 6.035 0.000 -0.000 -0.000 3/41472 980.0 4.913 4.913 5.974 0.000 -0.000 -0.000 3/41472 990.0 4.864 4.864 5.913 0.000 -0.000 -0.000 3/41472 1000.0 4.816 4.816 5.854 0.000 -0.000 -0.000 3/41472 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:33:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|