----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:47:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.292192559519302 0.000000000000000 0.000000000000000 b -1.646096279759651 2.851122390693828 0.000000000000000 c 0.000000000000000 0.000000000000000 21.710086919999998 Atomic positions (fractional): *1 Al 0.00000000000000 0.00000000000000 0.84091402861256 26.982 *2 Al 0.66666666666667 0.33333333333333 0.45533400224451 26.982 *3 Al 0.66666666666667 0.33333333333333 0.23739738185440 26.982 *4 Al 0.33333333333333 0.66666666666667 0.54719007564776 26.982 5 Al 0.33333333333333 0.66666666666667 0.95533400224451 26.982 *6 Al 0.00000000000000 0.00000000000000 0.65253571040725 26.982 7 Al 0.00000000000000 0.00000000000000 0.34091402861256 26.982 8 Al 0.66666666666667 0.33333333333333 0.04719007564776 26.982 9 Al 0.33333333333333 0.66666666666667 0.73739738185440 26.982 10 Al 0.00000000000000 0.00000000000000 0.15253571040725 26.982 *11 C 0.00000000000000 0.00000000000000 0.25101638969293 12.011 *12 C 0.66666666666667 0.33333333333333 0.13442276233104 12.011 13 C 0.00000000000000 0.00000000000000 0.75101638969293 12.011 *14 C 0.00000000000000 0.00000000000000 0.99799093777217 12.011 15 C 0.33333333333333 0.66666666666667 0.63442276233104 12.011 16 C 0.00000000000000 0.00000000000000 0.49799093777217 12.011 *17 N 0.66666666666667 0.33333333333333 0.37019871143735 14.007 18 N 0.33333333333333 0.66666666666667 0.87019871143735 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.292192559519302 0.000000000000000 0.000000000000000 b -1.646096279759651 2.851122390693828 0.000000000000000 c 0.000000000000000 0.000000000000000 21.710086919999998 Atomic positions (fractional): *1 Al 0.00000000000000 0.00000000000000 0.84091402861256 26.982 > 1 *2 Al 0.66666666666667 0.33333333333333 0.45533400224451 26.982 > 2 *3 Al 0.66666666666667 0.33333333333333 0.23739738185440 26.982 > 3 *4 Al 0.33333333333333 0.66666666666667 0.54719007564776 26.982 > 4 5 Al 0.33333333333333 0.66666666666667 0.95533400224451 26.982 > 5 *6 Al 0.00000000000000 0.00000000000000 0.65253571040725 26.982 > 6 7 Al 0.00000000000000 0.00000000000000 0.34091402861256 26.982 > 7 8 Al 0.66666666666667 0.33333333333333 0.04719007564776 26.982 > 8 9 Al 0.33333333333333 0.66666666666667 0.73739738185440 26.982 > 9 10 Al 0.00000000000000 0.00000000000000 0.15253571040725 26.982 > 10 *11 C 0.00000000000000 0.00000000000000 0.25101638969293 12.011 > 11 *12 C 0.66666666666667 0.33333333333333 0.13442276233104 12.011 > 12 13 C 0.00000000000000 0.00000000000000 0.75101638969293 12.011 > 13 *14 C 0.00000000000000 0.00000000000000 0.99799093777217 12.011 > 14 15 C 0.33333333333333 0.66666666666667 0.63442276233104 12.011 > 15 16 C 0.00000000000000 0.00000000000000 0.49799093777217 12.011 > 16 *17 N 0.66666666666667 0.33333333333333 0.37019871143735 14.007 > 17 18 N 0.33333333333333 0.66666666666667 0.87019871143735 14.007 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.584385119038604 0.000000000000000 0.000000000000000 b -3.292192559519302 5.702244781387656 0.000000000000000 c 0.000000000000000 0.000000000000000 21.710086919999998 Atomic positions (fractional): *1 Al 0.00000000000000 0.00000000000000 0.84091402861256 26.982 > 1 2 Al 0.50000000000000 0.00000000000000 0.84091402861256 26.982 > 1 3 Al 0.00000000000000 0.50000000000000 0.84091402861256 26.982 > 1 4 Al 0.50000000000000 0.50000000000000 0.84091402861256 26.982 > 1 *5 Al 0.33333333333333 0.16666666666667 0.45533400224451 26.982 > 2 6 Al 0.83333333333333 0.16666666666667 0.45533400224451 26.982 > 2 7 Al 0.33333333333333 0.66666666666667 0.45533400224451 26.982 > 2 8 Al 0.83333333333333 0.66666666666667 0.45533400224451 26.982 > 2 *9 Al 0.33333333333333 0.16666666666667 0.23739738185440 26.982 > 3 10 Al 0.83333333333333 0.16666666666667 0.23739738185440 26.982 > 3 11 Al 0.33333333333333 0.66666666666667 0.23739738185440 26.982 > 3 12 Al 0.83333333333333 0.66666666666667 0.23739738185440 26.982 > 3 *13 Al 0.16666666666667 0.33333333333333 0.54719007564776 26.982 > 4 14 Al 0.66666666666667 0.33333333333333 0.54719007564776 26.982 > 4 15 Al 0.16666666666667 0.83333333333333 0.54719007564776 26.982 > 4 16 Al 0.66666666666667 0.83333333333333 0.54719007564776 26.982 > 4 17 Al 0.16666666666667 0.33333333333333 0.95533400224451 26.982 > 5 18 Al 0.66666666666667 0.33333333333333 0.95533400224451 26.982 > 5 19 Al 0.16666666666667 0.83333333333333 0.95533400224451 26.982 > 5 20 Al 0.66666666666667 0.83333333333333 0.95533400224451 26.982 > 5 *21 Al 0.00000000000000 0.00000000000000 0.65253571040725 26.982 > 6 22 Al 0.50000000000000 0.00000000000000 0.65253571040725 26.982 > 6 23 Al 0.00000000000000 0.50000000000000 0.65253571040725 26.982 > 6 24 Al 0.50000000000000 0.50000000000000 0.65253571040725 26.982 > 6 25 Al 0.00000000000000 0.00000000000000 0.34091402861256 26.982 > 7 26 Al 0.50000000000000 0.00000000000000 0.34091402861256 26.982 > 7 27 Al 0.00000000000000 0.50000000000000 0.34091402861256 26.982 > 7 28 Al 0.50000000000000 0.50000000000000 0.34091402861256 26.982 > 7 29 Al 0.33333333333333 0.16666666666667 0.04719007564776 26.982 > 8 30 Al 0.83333333333333 0.16666666666667 0.04719007564776 26.982 > 8 31 Al 0.33333333333333 0.66666666666667 0.04719007564776 26.982 > 8 32 Al 0.83333333333333 0.66666666666667 0.04719007564776 26.982 > 8 33 Al 0.16666666666667 0.33333333333333 0.73739738185440 26.982 > 9 34 Al 0.66666666666667 0.33333333333333 0.73739738185440 26.982 > 9 35 Al 0.16666666666667 0.83333333333333 0.73739738185440 26.982 > 9 36 Al 0.66666666666667 0.83333333333333 0.73739738185440 26.982 > 9 37 Al 0.00000000000000 0.00000000000000 0.15253571040725 26.982 > 10 38 Al 0.50000000000000 0.00000000000000 0.15253571040725 26.982 > 10 39 Al 0.00000000000000 0.50000000000000 0.15253571040725 26.982 > 10 40 Al 0.50000000000000 0.50000000000000 0.15253571040725 26.982 > 10 *41 C 0.00000000000000 0.00000000000000 0.25101638969293 12.011 > 11 42 C 0.50000000000000 0.00000000000000 0.25101638969293 12.011 > 11 43 C 0.00000000000000 0.50000000000000 0.25101638969293 12.011 > 11 44 C 0.50000000000000 0.50000000000000 0.25101638969293 12.011 > 11 *45 C 0.33333333333333 0.16666666666667 0.13442276233104 12.011 > 12 46 C 0.83333333333333 0.16666666666667 0.13442276233104 12.011 > 12 47 C 0.33333333333333 0.66666666666667 0.13442276233104 12.011 > 12 48 C 0.83333333333333 0.66666666666667 0.13442276233104 12.011 > 12 49 C 0.00000000000000 0.00000000000000 0.75101638969293 12.011 > 13 50 C 0.50000000000000 0.00000000000000 0.75101638969293 12.011 > 13 51 C 0.00000000000000 0.50000000000000 0.75101638969293 12.011 > 13 52 C 0.50000000000000 0.50000000000000 0.75101638969293 12.011 > 13 *53 C 0.00000000000000 0.00000000000000 0.99799093777217 12.011 > 14 54 C 0.50000000000000 0.00000000000000 0.99799093777217 12.011 > 14 55 C 0.00000000000000 0.50000000000000 0.99799093777217 12.011 > 14 56 C 0.50000000000000 0.50000000000000 0.99799093777217 12.011 > 14 57 C 0.16666666666667 0.33333333333333 0.63442276233104 12.011 > 15 58 C 0.66666666666667 0.33333333333333 0.63442276233104 12.011 > 15 59 C 0.16666666666667 0.83333333333333 0.63442276233104 12.011 > 15 60 C 0.66666666666667 0.83333333333333 0.63442276233104 12.011 > 15 61 C 0.00000000000000 0.00000000000000 0.49799093777217 12.011 > 16 62 C 0.50000000000000 0.00000000000000 0.49799093777217 12.011 > 16 63 C 0.00000000000000 0.50000000000000 0.49799093777217 12.011 > 16 64 C 0.50000000000000 0.50000000000000 0.49799093777217 12.011 > 16 *65 N 0.33333333333333 0.16666666666667 0.37019871143735 14.007 > 17 66 N 0.83333333333333 0.16666666666667 0.37019871143735 14.007 > 17 67 N 0.33333333333333 0.66666666666667 0.37019871143735 14.007 > 17 68 N 0.83333333333333 0.66666666666667 0.37019871143735 14.007 > 17 69 N 0.16666666666667 0.33333333333333 0.87019871143735 14.007 > 18 70 N 0.66666666666667 0.33333333333333 0.87019871143735 14.007 > 18 71 N 0.16666666666667 0.83333333333333 0.87019871143735 14.007 > 18 72 N 0.66666666666667 0.83333333333333 0.87019871143735 14.007 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.2126939 -0.0000000 0.0000000 0.0000000 7.2126939 0.0000000 0.0000000 0.0000000 8.0593909 -------------------------- Born effective charges -------------------------- 1 Al 2.5124725 -0.0000000 0.0000000 -0.0000000 2.5124725 0.0000000 0.0000000 0.0000000 3.6149288 2 Al 2.5964524 -0.0000000 0.0000000 -0.0000000 2.5964524 0.0000000 0.0000000 0.0000000 2.6347927 3 Al 2.2712784 -0.0000000 0.0000000 -0.0000000 2.2712784 0.0000000 0.0000000 0.0000000 2.4034997 4 Al 2.5685099 0.0000000 0.0000000 -0.0000000 2.5685099 0.0000000 0.0000000 0.0000000 2.4321903 5 Al 2.5964524 -0.0000000 0.0000000 -0.0000000 2.5964524 0.0000000 0.0000000 0.0000000 2.6347927 6 Al 2.2850868 -0.0000000 0.0000000 -0.0000000 2.2850868 0.0000000 0.0000000 0.0000000 1.9764288 7 Al 2.5124725 -0.0000000 0.0000000 -0.0000000 2.5124725 0.0000000 0.0000000 0.0000000 3.6149288 8 Al 2.5685099 0.0000000 0.0000000 -0.0000000 2.5685099 0.0000000 0.0000000 0.0000000 2.4321903 9 Al 2.2712784 -0.0000000 0.0000000 -0.0000000 2.2712784 0.0000000 0.0000000 0.0000000 2.4034997 10 Al 2.2850868 -0.0000000 0.0000000 -0.0000000 2.2850868 0.0000000 0.0000000 0.0000000 1.9764288 11 C -2.7608079 0.0000000 0.0000000 -0.0000000 -2.7608079 0.0000000 0.0000000 0.0000000 -3.4081252 12 C -2.8671186 0.0000000 0.0000000 0.0000000 -2.8671186 0.0000000 0.0000000 0.0000000 -2.9325522 13 C -2.7608079 0.0000000 0.0000000 -0.0000000 -2.7608079 0.0000000 0.0000000 0.0000000 -3.4081252 14 C -3.9518311 -0.0000000 0.0000000 -0.0000000 -3.9518311 0.0000000 0.0000000 0.0000000 -2.8926616 15 C -2.8671186 0.0000000 0.0000000 0.0000000 -2.8671186 0.0000000 0.0000000 0.0000000 -2.9325522 16 C -3.9518311 -0.0000000 0.0000000 -0.0000000 -3.9518311 0.0000000 0.0000000 0.0000000 -2.8926616 17 N -2.6540425 0.0000000 0.0000000 -0.0000000 -2.6540425 0.0000000 0.0000000 0.0000000 -3.8285012 18 N -2.6540425 0.0000000 0.0000000 -0.0000000 -2.6540425 0.0000000 0.0000000 0.0000000 -3.8285012 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 6048/6048 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 612 Number of blocks in projector: 522 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: 270 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (612, 594), data: False |-- (162, 162), data: True |-- (180, 171), data: True |-- (270, 261), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.306 Solver_block: 200 / 240 - Time: 0.309 Solver_block: 240 / 240 - Time: 0.152 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.779 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 216/216 Permutation basis: 6048/6048 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 612 Number of blocks in projector: 522 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: 270 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (612, 594), data: False |-- (162, 162), data: True |-- (180, 171), data: True |-- (270, 261), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:47:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:47:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.292192559519302 0.000000000000000 0.000000000000000 b -1.646096279759651 2.851122390693828 0.000000000000000 c 0.000000000000000 0.000000000000000 21.710086919999998 Atomic positions (fractional): 1 Al 0.00000000000000 0.00000000000000 0.84091402861256 26.982 2 Al 0.66666666666667 0.33333333333333 0.45533400224451 26.982 3 Al 0.66666666666667 0.33333333333333 0.23739738185440 26.982 4 Al 0.33333333333333 0.66666666666667 0.54719007564776 26.982 5 Al 0.33333333333333 0.66666666666667 0.95533400224451 26.982 6 Al 0.00000000000000 0.00000000000000 0.65253571040725 26.982 7 Al 0.00000000000000 0.00000000000000 0.34091402861256 26.982 8 Al 0.66666666666667 0.33333333333333 0.04719007564776 26.982 9 Al 0.33333333333333 0.66666666666667 0.73739738185440 26.982 10 Al 0.00000000000000 0.00000000000000 0.15253571040725 26.982 11 C 0.00000000000000 0.00000000000000 0.25101638969293 12.011 12 C 0.66666666666667 0.33333333333333 0.13442276233104 12.011 13 C 0.00000000000000 0.00000000000000 0.75101638969293 12.011 14 C 0.00000000000000 0.00000000000000 0.99799093777217 12.011 15 C 0.33333333333333 0.66666666666667 0.63442276233104 12.011 16 C 0.00000000000000 0.00000000000000 0.49799093777217 12.011 17 N 0.66666666666667 0.33333333333333 0.37019871143735 14.007 18 N 0.33333333333333 0.66666666666667 0.87019871143735 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.584385119038604 0.000000000000000 0.000000000000000 b -3.292192559519302 5.702244781387656 0.000000000000000 c 0.000000000000000 0.000000000000000 21.710086919999998 Atomic positions (fractional): 1 Al 0.00000000000000 0.00000000000000 0.84091402861256 26.982 > 1 2 Al 0.50000000000000 0.00000000000000 0.84091402861256 26.982 > 1 3 Al 0.00000000000000 0.50000000000000 0.84091402861256 26.982 > 1 4 Al 0.50000000000000 0.50000000000000 0.84091402861256 26.982 > 1 5 Al 0.33333333333333 0.16666666666667 0.45533400224451 26.982 > 5 6 Al 0.83333333333333 0.16666666666667 0.45533400224451 26.982 > 5 7 Al 0.33333333333333 0.66666666666667 0.45533400224451 26.982 > 5 8 Al 0.83333333333333 0.66666666666667 0.45533400224451 26.982 > 5 9 Al 0.33333333333333 0.16666666666667 0.23739738185440 26.982 > 9 10 Al 0.83333333333333 0.16666666666667 0.23739738185440 26.982 > 9 11 Al 0.33333333333333 0.66666666666667 0.23739738185440 26.982 > 9 12 Al 0.83333333333333 0.66666666666667 0.23739738185440 26.982 > 9 13 Al 0.16666666666667 0.33333333333333 0.54719007564776 26.982 > 13 14 Al 0.66666666666667 0.33333333333333 0.54719007564776 26.982 > 13 15 Al 0.16666666666667 0.83333333333333 0.54719007564776 26.982 > 13 16 Al 0.66666666666667 0.83333333333333 0.54719007564776 26.982 > 13 17 Al 0.16666666666667 0.33333333333333 0.95533400224451 26.982 > 17 18 Al 0.66666666666667 0.33333333333333 0.95533400224451 26.982 > 17 19 Al 0.16666666666667 0.83333333333333 0.95533400224451 26.982 > 17 20 Al 0.66666666666667 0.83333333333333 0.95533400224451 26.982 > 17 21 Al 0.00000000000000 0.00000000000000 0.65253571040725 26.982 > 21 22 Al 0.50000000000000 0.00000000000000 0.65253571040725 26.982 > 21 23 Al 0.00000000000000 0.50000000000000 0.65253571040725 26.982 > 21 24 Al 0.50000000000000 0.50000000000000 0.65253571040725 26.982 > 21 25 Al 0.00000000000000 0.00000000000000 0.34091402861256 26.982 > 25 26 Al 0.50000000000000 0.00000000000000 0.34091402861256 26.982 > 25 27 Al 0.00000000000000 0.50000000000000 0.34091402861256 26.982 > 25 28 Al 0.50000000000000 0.50000000000000 0.34091402861256 26.982 > 25 29 Al 0.33333333333333 0.16666666666667 0.04719007564776 26.982 > 29 30 Al 0.83333333333333 0.16666666666667 0.04719007564776 26.982 > 29 31 Al 0.33333333333333 0.66666666666667 0.04719007564776 26.982 > 29 32 Al 0.83333333333333 0.66666666666667 0.04719007564776 26.982 > 29 33 Al 0.16666666666667 0.33333333333333 0.73739738185440 26.982 > 33 34 Al 0.66666666666667 0.33333333333333 0.73739738185440 26.982 > 33 35 Al 0.16666666666667 0.83333333333333 0.73739738185440 26.982 > 33 36 Al 0.66666666666667 0.83333333333333 0.73739738185440 26.982 > 33 37 Al 0.00000000000000 0.00000000000000 0.15253571040725 26.982 > 37 38 Al 0.50000000000000 0.00000000000000 0.15253571040725 26.982 > 37 39 Al 0.00000000000000 0.50000000000000 0.15253571040725 26.982 > 37 40 Al 0.50000000000000 0.50000000000000 0.15253571040725 26.982 > 37 41 C 0.00000000000000 0.00000000000000 0.25101638969293 12.011 > 41 42 C 0.50000000000000 0.00000000000000 0.25101638969293 12.011 > 41 43 C 0.00000000000000 0.50000000000000 0.25101638969293 12.011 > 41 44 C 0.50000000000000 0.50000000000000 0.25101638969293 12.011 > 41 45 C 0.33333333333333 0.16666666666667 0.13442276233104 12.011 > 45 46 C 0.83333333333333 0.16666666666667 0.13442276233104 12.011 > 45 47 C 0.33333333333333 0.66666666666667 0.13442276233104 12.011 > 45 48 C 0.83333333333333 0.66666666666667 0.13442276233104 12.011 > 45 49 C 0.00000000000000 0.00000000000000 0.75101638969293 12.011 > 49 50 C 0.50000000000000 0.00000000000000 0.75101638969293 12.011 > 49 51 C 0.00000000000000 0.50000000000000 0.75101638969293 12.011 > 49 52 C 0.50000000000000 0.50000000000000 0.75101638969293 12.011 > 49 53 C 0.00000000000000 0.00000000000000 0.99799093777217 12.011 > 53 54 C 0.50000000000000 0.00000000000000 0.99799093777217 12.011 > 53 55 C 0.00000000000000 0.50000000000000 0.99799093777217 12.011 > 53 56 C 0.50000000000000 0.50000000000000 0.99799093777217 12.011 > 53 57 C 0.16666666666667 0.33333333333333 0.63442276233104 12.011 > 57 58 C 0.66666666666667 0.33333333333333 0.63442276233104 12.011 > 57 59 C 0.16666666666667 0.83333333333333 0.63442276233104 12.011 > 57 60 C 0.66666666666667 0.83333333333333 0.63442276233104 12.011 > 57 61 C 0.00000000000000 0.00000000000000 0.49799093777217 12.011 > 61 62 C 0.50000000000000 0.00000000000000 0.49799093777217 12.011 > 61 63 C 0.00000000000000 0.50000000000000 0.49799093777217 12.011 > 61 64 C 0.50000000000000 0.50000000000000 0.49799093777217 12.011 > 61 65 N 0.33333333333333 0.16666666666667 0.37019871143735 14.007 > 65 66 N 0.83333333333333 0.16666666666667 0.37019871143735 14.007 > 65 67 N 0.33333333333333 0.66666666666667 0.37019871143735 14.007 > 65 68 N 0.83333333333333 0.66666666666667 0.37019871143735 14.007 > 65 69 N 0.16666666666667 0.33333333333333 0.87019871143735 14.007 > 69 70 N 0.66666666666667 0.33333333333333 0.87019871143735 14.007 > 69 71 N 0.16666666666667 0.83333333333333 0.87019871143735 14.007 > 69 72 N 0.66666666666667 0.83333333333333 0.87019871143735 14.007 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.2126939 -0.0000000 0.0000000 0.0000000 7.2126939 0.0000000 0.0000000 0.0000000 8.0593909 -------------------------- Born effective charges -------------------------- 1 Al 2.5124725 -0.0000000 0.0000000 -0.0000000 2.5124725 0.0000000 0.0000000 0.0000000 3.6149288 2 Al 2.5964524 -0.0000000 0.0000000 -0.0000000 2.5964524 0.0000000 0.0000000 0.0000000 2.6347927 3 Al 2.2712784 -0.0000000 0.0000000 -0.0000000 2.2712784 0.0000000 0.0000000 0.0000000 2.4034997 4 Al 2.5685099 0.0000000 0.0000000 -0.0000000 2.5685099 0.0000000 0.0000000 0.0000000 2.4321903 5 Al 2.5964524 -0.0000000 0.0000000 -0.0000000 2.5964524 0.0000000 0.0000000 0.0000000 2.6347927 6 Al 2.2850868 -0.0000000 0.0000000 -0.0000000 2.2850868 0.0000000 0.0000000 0.0000000 1.9764288 7 Al 2.5124725 -0.0000000 0.0000000 -0.0000000 2.5124725 0.0000000 0.0000000 0.0000000 3.6149288 8 Al 2.5685099 0.0000000 0.0000000 -0.0000000 2.5685099 0.0000000 0.0000000 0.0000000 2.4321903 9 Al 2.2712784 -0.0000000 0.0000000 -0.0000000 2.2712784 0.0000000 0.0000000 0.0000000 2.4034997 10 Al 2.2850868 -0.0000000 0.0000000 -0.0000000 2.2850868 0.0000000 0.0000000 0.0000000 1.9764288 11 C -2.7608079 0.0000000 0.0000000 -0.0000000 -2.7608079 0.0000000 0.0000000 0.0000000 -3.4081252 12 C -2.8671186 0.0000000 0.0000000 0.0000000 -2.8671186 0.0000000 0.0000000 0.0000000 -2.9325522 13 C -2.7608079 0.0000000 0.0000000 -0.0000000 -2.7608079 0.0000000 0.0000000 0.0000000 -3.4081252 14 C -3.9518311 -0.0000000 0.0000000 -0.0000000 -3.9518311 0.0000000 0.0000000 0.0000000 -2.8926616 15 C -2.8671186 0.0000000 0.0000000 0.0000000 -2.8671186 0.0000000 0.0000000 0.0000000 -2.9325522 16 C -3.9518311 -0.0000000 0.0000000 -0.0000000 -3.9518311 0.0000000 0.0000000 0.0000000 -2.8926616 17 N -2.6540425 0.0000000 0.0000000 -0.0000000 -2.6540425 0.0000000 0.0000000 0.0000000 -3.8285012 18 N -2.6540425 0.0000000 0.0000000 -0.0000000 -2.6540425 0.0000000 0.0000000 0.0000000 -3.8285012 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, 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[ 41, 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[ 45, 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[ 53, 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000056 (xzx) 0.00000056 (xzx) 0.00000056 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:47:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:47:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.292192559519302 0.000000000000000 0.000000000000000 b -1.646096279759651 2.851122390693828 0.000000000000000 c 0.000000000000000 0.000000000000000 21.710086919999998 Atomic positions (fractional): 1 Al 0.00000000000000 0.00000000000000 0.84091402861256 26.982 2 Al 0.66666666666667 0.33333333333333 0.45533400224451 26.982 3 Al 0.66666666666667 0.33333333333333 0.23739738185440 26.982 4 Al 0.33333333333333 0.66666666666667 0.54719007564776 26.982 5 Al 0.33333333333333 0.66666666666667 0.95533400224451 26.982 6 Al 0.00000000000000 0.00000000000000 0.65253571040725 26.982 7 Al 0.00000000000000 0.00000000000000 0.34091402861256 26.982 8 Al 0.66666666666667 0.33333333333333 0.04719007564776 26.982 9 Al 0.33333333333333 0.66666666666667 0.73739738185440 26.982 10 Al 0.00000000000000 0.00000000000000 0.15253571040725 26.982 11 C 0.00000000000000 0.00000000000000 0.25101638969293 12.011 12 C 0.66666666666667 0.33333333333333 0.13442276233104 12.011 13 C 0.00000000000000 0.00000000000000 0.75101638969293 12.011 14 C 0.00000000000000 0.00000000000000 0.99799093777217 12.011 15 C 0.33333333333333 0.66666666666667 0.63442276233104 12.011 16 C 0.00000000000000 0.00000000000000 0.49799093777217 12.011 17 N 0.66666666666667 0.33333333333333 0.37019871143735 14.007 18 N 0.33333333333333 0.66666666666667 0.87019871143735 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.584385119038604 0.000000000000000 0.000000000000000 b -3.292192559519302 5.702244781387656 0.000000000000000 c 0.000000000000000 0.000000000000000 21.710086919999998 Atomic positions (fractional): 1 Al 0.00000000000000 0.00000000000000 0.84091402861256 26.982 > 1 2 Al 0.50000000000000 0.00000000000000 0.84091402861256 26.982 > 1 3 Al 0.00000000000000 0.50000000000000 0.84091402861256 26.982 > 1 4 Al 0.50000000000000 0.50000000000000 0.84091402861256 26.982 > 1 5 Al 0.33333333333333 0.16666666666667 0.45533400224451 26.982 > 5 6 Al 0.83333333333333 0.16666666666667 0.45533400224451 26.982 > 5 7 Al 0.33333333333333 0.66666666666667 0.45533400224451 26.982 > 5 8 Al 0.83333333333333 0.66666666666667 0.45533400224451 26.982 > 5 9 Al 0.33333333333333 0.16666666666667 0.23739738185440 26.982 > 9 10 Al 0.83333333333333 0.16666666666667 0.23739738185440 26.982 > 9 11 Al 0.33333333333333 0.66666666666667 0.23739738185440 26.982 > 9 12 Al 0.83333333333333 0.66666666666667 0.23739738185440 26.982 > 9 13 Al 0.16666666666667 0.33333333333333 0.54719007564776 26.982 > 13 14 Al 0.66666666666667 0.33333333333333 0.54719007564776 26.982 > 13 15 Al 0.16666666666667 0.83333333333333 0.54719007564776 26.982 > 13 16 Al 0.66666666666667 0.83333333333333 0.54719007564776 26.982 > 13 17 Al 0.16666666666667 0.33333333333333 0.95533400224451 26.982 > 17 18 Al 0.66666666666667 0.33333333333333 0.95533400224451 26.982 > 17 19 Al 0.16666666666667 0.83333333333333 0.95533400224451 26.982 > 17 20 Al 0.66666666666667 0.83333333333333 0.95533400224451 26.982 > 17 21 Al 0.00000000000000 0.00000000000000 0.65253571040725 26.982 > 21 22 Al 0.50000000000000 0.00000000000000 0.65253571040725 26.982 > 21 23 Al 0.00000000000000 0.50000000000000 0.65253571040725 26.982 > 21 24 Al 0.50000000000000 0.50000000000000 0.65253571040725 26.982 > 21 25 Al 0.00000000000000 0.00000000000000 0.34091402861256 26.982 > 25 26 Al 0.50000000000000 0.00000000000000 0.34091402861256 26.982 > 25 27 Al 0.00000000000000 0.50000000000000 0.34091402861256 26.982 > 25 28 Al 0.50000000000000 0.50000000000000 0.34091402861256 26.982 > 25 29 Al 0.33333333333333 0.16666666666667 0.04719007564776 26.982 > 29 30 Al 0.83333333333333 0.16666666666667 0.04719007564776 26.982 > 29 31 Al 0.33333333333333 0.66666666666667 0.04719007564776 26.982 > 29 32 Al 0.83333333333333 0.66666666666667 0.04719007564776 26.982 > 29 33 Al 0.16666666666667 0.33333333333333 0.73739738185440 26.982 > 33 34 Al 0.66666666666667 0.33333333333333 0.73739738185440 26.982 > 33 35 Al 0.16666666666667 0.83333333333333 0.73739738185440 26.982 > 33 36 Al 0.66666666666667 0.83333333333333 0.73739738185440 26.982 > 33 37 Al 0.00000000000000 0.00000000000000 0.15253571040725 26.982 > 37 38 Al 0.50000000000000 0.00000000000000 0.15253571040725 26.982 > 37 39 Al 0.00000000000000 0.50000000000000 0.15253571040725 26.982 > 37 40 Al 0.50000000000000 0.50000000000000 0.15253571040725 26.982 > 37 41 C 0.00000000000000 0.00000000000000 0.25101638969293 12.011 > 41 42 C 0.50000000000000 0.00000000000000 0.25101638969293 12.011 > 41 43 C 0.00000000000000 0.50000000000000 0.25101638969293 12.011 > 41 44 C 0.50000000000000 0.50000000000000 0.25101638969293 12.011 > 41 45 C 0.33333333333333 0.16666666666667 0.13442276233104 12.011 > 45 46 C 0.83333333333333 0.16666666666667 0.13442276233104 12.011 > 45 47 C 0.33333333333333 0.66666666666667 0.13442276233104 12.011 > 45 48 C 0.83333333333333 0.66666666666667 0.13442276233104 12.011 > 45 49 C 0.00000000000000 0.00000000000000 0.75101638969293 12.011 > 49 50 C 0.50000000000000 0.00000000000000 0.75101638969293 12.011 > 49 51 C 0.00000000000000 0.50000000000000 0.75101638969293 12.011 > 49 52 C 0.50000000000000 0.50000000000000 0.75101638969293 12.011 > 49 53 C 0.00000000000000 0.00000000000000 0.99799093777217 12.011 > 53 54 C 0.50000000000000 0.00000000000000 0.99799093777217 12.011 > 53 55 C 0.00000000000000 0.50000000000000 0.99799093777217 12.011 > 53 56 C 0.50000000000000 0.50000000000000 0.99799093777217 12.011 > 53 57 C 0.16666666666667 0.33333333333333 0.63442276233104 12.011 > 57 58 C 0.66666666666667 0.33333333333333 0.63442276233104 12.011 > 57 59 C 0.16666666666667 0.83333333333333 0.63442276233104 12.011 > 57 60 C 0.66666666666667 0.83333333333333 0.63442276233104 12.011 > 57 61 C 0.00000000000000 0.00000000000000 0.49799093777217 12.011 > 61 62 C 0.50000000000000 0.00000000000000 0.49799093777217 12.011 > 61 63 C 0.00000000000000 0.50000000000000 0.49799093777217 12.011 > 61 64 C 0.50000000000000 0.50000000000000 0.49799093777217 12.011 > 61 65 N 0.33333333333333 0.16666666666667 0.37019871143735 14.007 > 65 66 N 0.83333333333333 0.16666666666667 0.37019871143735 14.007 > 65 67 N 0.33333333333333 0.66666666666667 0.37019871143735 14.007 > 65 68 N 0.83333333333333 0.66666666666667 0.37019871143735 14.007 > 65 69 N 0.16666666666667 0.33333333333333 0.87019871143735 14.007 > 69 70 N 0.66666666666667 0.33333333333333 0.87019871143735 14.007 > 69 71 N 0.16666666666667 0.83333333333333 0.87019871143735 14.007 > 69 72 N 0.66666666666667 0.83333333333333 0.87019871143735 14.007 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.2126939 -0.0000000 0.0000000 0.0000000 7.2126939 0.0000000 0.0000000 0.0000000 8.0593909 -------------------------- Born effective charges -------------------------- 1 Al 2.5124725 -0.0000000 0.0000000 -0.0000000 2.5124725 0.0000000 0.0000000 0.0000000 3.6149288 2 Al 2.5964524 -0.0000000 0.0000000 -0.0000000 2.5964524 0.0000000 0.0000000 0.0000000 2.6347927 3 Al 2.2712784 -0.0000000 0.0000000 -0.0000000 2.2712784 0.0000000 0.0000000 0.0000000 2.4034997 4 Al 2.5685099 0.0000000 0.0000000 -0.0000000 2.5685099 0.0000000 0.0000000 0.0000000 2.4321903 5 Al 2.5964524 -0.0000000 0.0000000 -0.0000000 2.5964524 0.0000000 0.0000000 0.0000000 2.6347927 6 Al 2.2850868 -0.0000000 0.0000000 -0.0000000 2.2850868 0.0000000 0.0000000 0.0000000 1.9764288 7 Al 2.5124725 -0.0000000 0.0000000 -0.0000000 2.5124725 0.0000000 0.0000000 0.0000000 3.6149288 8 Al 2.5685099 0.0000000 0.0000000 -0.0000000 2.5685099 0.0000000 0.0000000 0.0000000 2.4321903 9 Al 2.2712784 -0.0000000 0.0000000 -0.0000000 2.2712784 0.0000000 0.0000000 0.0000000 2.4034997 10 Al 2.2850868 -0.0000000 0.0000000 -0.0000000 2.2850868 0.0000000 0.0000000 0.0000000 1.9764288 11 C -2.7608079 0.0000000 0.0000000 -0.0000000 -2.7608079 0.0000000 0.0000000 0.0000000 -3.4081252 12 C -2.8671186 0.0000000 0.0000000 0.0000000 -2.8671186 0.0000000 0.0000000 0.0000000 -2.9325522 13 C -2.7608079 0.0000000 0.0000000 -0.0000000 -2.7608079 0.0000000 0.0000000 0.0000000 -3.4081252 14 C -3.9518311 -0.0000000 0.0000000 -0.0000000 -3.9518311 0.0000000 0.0000000 0.0000000 -2.8926616 15 C -2.8671186 0.0000000 0.0000000 0.0000000 -2.8671186 0.0000000 0.0000000 0.0000000 -2.9325522 16 C -3.9518311 -0.0000000 0.0000000 -0.0000000 -3.9518311 0.0000000 0.0000000 0.0000000 -2.8926616 17 N -2.6540425 0.0000000 0.0000000 -0.0000000 -2.6540425 0.0000000 0.0000000 0.0000000 -3.8285012 18 N -2.6540425 0.0000000 0.0000000 -0.0000000 -2.6540425 0.0000000 0.0000000 0.0000000 -3.8285012 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000056 (xzx) 0.00000056 (xzx) 0.00000056 (xxz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 18 18 2 ] 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: 0.71, Number of G-points: 301, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/74) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 74 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 2.410 ( 0.000 -0.000 0.000) 0.000 2.410 ( 0.000 -0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.689 ( -0.000 0.000 0.000) 0.000 4.150 ( 0.000 -0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 -0.000 -0.000) 0.000 5.110 ( -0.000 0.000 0.000) 0.000 5.203 ( 0.000 -0.000 0.000) 0.000 5.203 ( 0.000 0.000 -0.000) 0.000 5.677 ( -0.000 0.000 -0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 7.888 ( -0.000 -0.000 -0.000) 0.000 7.888 ( 0.000 0.000 0.000) 0.000 8.045 ( 0.000 -0.000 -0.000) 0.000 8.045 ( 0.000 0.000 -0.000) 0.000 8.089 ( 0.000 0.000 -0.000) 0.000 8.243 ( 0.000 -0.000 0.000) 0.000 8.243 ( 0.000 0.000 0.000) 0.000 8.341 ( 0.000 -0.000 0.000) 0.000 8.341 ( -0.000 0.000 0.000) 0.000 9.647 ( 0.000 0.000 0.000) 0.000 10.772 ( 0.000 -0.000 -0.000) 0.000 12.108 ( -0.000 0.000 -0.000) 0.000 12.916 ( -0.000 -0.000 0.000) 0.000 14.082 ( 0.000 0.000 0.000) 0.000 14.082 ( -0.000 -0.000 -0.000) 0.000 14.086 ( 0.000 -0.000 -0.000) 0.000 14.086 ( -0.000 0.000 -0.000) 0.000 14.232 ( 0.000 0.000 0.000) 0.000 14.232 ( 0.000 0.000 0.000) 0.000 14.246 ( -0.000 0.000 -0.000) 0.000 14.246 ( -0.000 0.000 -0.000) 0.000 15.334 ( -0.000 0.000 -0.000) 0.000 15.888 ( -0.000 0.000 -0.000) 0.000 17.079 ( 0.000 -0.000 0.000) 0.000 18.310 ( 0.000 -0.000 0.000) 0.000 20.962 ( 0.000 0.000 0.000) 0.000 22.317 ( 0.000 0.000 -0.000) 0.000 22.317 ( 0.000 -0.000 0.000) 0.000 22.321 ( 0.000 0.000 -0.000) 0.000 22.321 ( -0.000 0.000 0.000) 0.000 23.624 ( 0.000 0.000 -0.000) 0.000 23.624 ( 0.000 0.000 -0.000) 0.000 23.624 ( 0.000 0.000 0.000) 0.000 23.624 ( 0.000 -0.000 0.000) 0.000 24.191 ( 0.000 -0.000 0.000) 0.000 24.219 ( 0.000 0.000 -0.000) 0.000 25.467 ( 0.000 0.000 0.000) 0.000 25.912 ( -0.000 -0.000 -0.000) 0.000 25.916 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/74) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 42.699 24.652 0.000) 49.305 1.217 ( 54.314 31.358 0.000) 62.716 2.028 ( 88.814 51.277 0.000) 102.554 2.558 ( 12.661 7.310 0.000) 14.620 2.785 ( 27.949 16.136 0.000) 32.272 2.911 ( 18.727 10.812 0.000) 21.624 2.930 ( 19.450 11.230 0.000) 22.459 4.273 ( 10.644 6.145 0.000) 12.291 4.574 ( 27.749 16.021 0.000) 32.041 5.204 ( 23.796 13.739 0.000) 27.478 5.306 ( 8.883 5.128 0.000) 10.257 5.323 ( 7.786 4.495 0.000) 8.991 5.448 ( 29.964 17.299 0.000) 34.599 5.775 ( 8.466 4.888 0.000) 9.775 6.014 ( 27.944 16.134 0.000) 32.267 7.870 ( 2.056 1.187 0.000) 2.374 7.923 ( 2.805 1.619 0.000) 3.239 8.043 ( 11.537 6.661 0.000) 13.322 8.095 ( 3.676 2.123 0.000) 4.245 8.268 ( 3.014 1.740 0.000) 3.480 8.377 ( 3.598 2.077 0.000) 4.155 8.430 ( 8.802 5.082 0.000) 10.164 8.588 ( 21.379 12.343 0.000) 24.686 8.667 ( 31.228 18.030 0.000) 36.059 9.766 ( 11.637 6.718 0.000) 13.437 10.629 ( -9.520 -5.496 0.000) 10.993 12.035 ( -6.033 -3.483 0.000) 6.966 12.644 ( -14.778 -8.532 0.000) 17.064 14.082 ( -0.102 -0.059 0.000) 0.118 14.089 ( 0.120 0.069 0.000) 0.139 14.247 ( 1.394 0.805 0.000) 1.609 14.262 ( 1.489 0.859 0.000) 1.719 14.289 ( 3.255 1.879 0.000) 3.759 14.321 ( 6.408 3.700 0.000) 7.399 14.629 ( 28.029 16.182 0.000) 32.365 15.583 ( 27.275 15.747 0.000) 31.494 15.775 ( -8.823 -5.094 0.000) 10.187 16.942 ( -8.056 -4.651 0.000) 9.303 17.614 ( 16.094 9.292 0.000) 18.584 18.094 ( -16.746 -9.668 0.000) 19.337 20.925 ( -3.138 -1.812 0.000) 3.623 22.285 ( -3.557 -2.053 0.000) 4.107 22.321 ( 0.350 0.202 0.000) 0.404 22.325 ( 0.343 0.198 0.000) 0.396 22.738 ( -3.571 -2.061 0.000) 4.123 23.090 ( -30.351 -17.523 0.000) 35.047 23.627 ( 0.261 0.151 0.000) 0.302 23.627 ( 0.266 0.154 0.000) 0.308 24.203 ( -1.442 -0.832 0.000) 1.665 24.396 ( 4.275 2.468 0.000) 4.936 25.497 ( -5.825 -3.363 0.000) 6.726 25.694 ( -15.674 -9.049 0.000) 18.099 25.871 ( 3.696 2.134 0.000) 4.267 26.274 ( 3.826 2.209 0.000) 4.418 ======================= Grid point 2 (3/74) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 39.947 23.063 0.000) 46.127 2.432 ( 53.602 30.947 0.000) 61.894 2.942 ( 20.468 11.817 0.000) 23.635 3.391 ( 25.573 14.764 0.000) 29.529 3.466 ( 29.013 16.751 0.000) 33.501 3.534 ( 31.605 18.247 0.000) 36.495 3.969 ( 82.344 47.541 0.000) 95.082 4.605 ( 18.152 10.480 0.000) 20.961 5.343 ( 35.841 20.693 0.000) 41.386 5.480 ( 7.067 4.080 0.000) 8.160 5.586 ( 15.500 8.949 0.000) 17.897 5.976 ( 42.082 24.296 0.000) 48.592 6.042 ( 14.849 8.573 0.000) 17.146 6.404 ( 51.763 29.886 0.000) 59.771 6.823 ( 42.376 24.466 0.000) 48.932 7.991 ( 2.875 1.660 0.000) 3.320 8.147 ( 17.820 10.288 0.000) 20.577 8.163 ( 2.212 1.277 0.000) 2.554 8.378 ( 21.733 12.547 0.000) 25.095 8.424 ( 10.952 6.323 0.000) 12.646 8.523 ( 9.603 5.545 0.000) 11.089 8.679 ( 12.928 7.464 0.000) 14.928 9.214 ( 30.288 17.487 0.000) 34.974 9.442 ( 36.772 21.231 0.000) 42.461 10.253 ( 32.341 18.672 0.000) 37.344 10.493 ( 0.611 0.353 0.000) 0.706 11.870 ( -7.766 -4.484 0.000) 8.968 12.440 ( -1.732 -1.000 0.000) 1.999 14.072 ( -0.878 -0.507 0.000) 1.013 14.084 ( -0.668 -0.385 0.000) 0.771 14.259 ( -6.506 -3.756 0.000) 7.512 14.300 ( 3.342 1.930 0.000) 3.859 14.317 ( 3.391 1.958 0.000) 3.916 14.457 ( 3.396 1.961 0.000) 3.922 15.058 ( 14.325 8.271 0.000) 16.542 15.562 ( -8.003 -4.621 0.000) 9.241 16.456 ( 38.579 22.274 0.000) 44.547 16.772 ( -6.255 -3.611 0.000) 7.222 17.701 ( -13.461 -7.772 0.000) 15.543 18.013 ( 17.904 10.337 0.000) 20.674 20.832 ( -4.914 -2.837 0.000) 5.675 22.144 ( -9.048 -5.224 0.000) 10.448 22.332 ( 0.636 0.367 0.000) 0.734 22.336 ( 0.623 0.360 0.000) 0.719 22.483 ( -23.308 -13.457 0.000) 26.914 22.617 ( -7.130 -4.116 0.000) 8.233 23.636 ( 0.523 0.302 0.000) 0.604 23.636 ( 0.529 0.305 0.000) 0.611 24.154 ( -3.007 -1.736 0.000) 3.472 24.343 ( -6.528 -3.769 0.000) 7.538 25.174 ( -18.166 -10.488 0.000) 20.977 25.286 ( -19.931 -11.507 0.000) 23.014 26.039 ( 5.811 3.355 0.000) 6.710 26.298 ( -1.920 -1.109 0.000) 2.217 ======================= Grid point 3 (4/74) ======================= 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 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 35.766 20.649 0.000) 41.299 3.441 ( 23.153 13.368 0.000) 26.735 3.618 ( 51.507 29.738 0.000) 59.475 4.009 ( 29.568 17.071 0.000) 34.142 4.157 ( 31.400 18.129 0.000) 36.258 4.242 ( 31.125 17.970 0.000) 35.940 5.058 ( 21.441 12.379 0.000) 24.757 5.474 ( 14.160 8.175 0.000) 16.351 5.665 ( 44.654 25.781 0.000) 51.563 5.977 ( 18.659 10.773 0.000) 21.545 6.284 ( 48.055 27.744 0.000) 55.489 6.421 ( 18.347 10.592 0.000) 21.185 6.908 ( 35.694 20.608 0.000) 41.216 7.528 ( 44.865 25.903 0.000) 51.806 7.974 ( 60.222 34.769 0.000) 69.538 8.054 ( 2.956 1.707 0.000) 3.413 8.219 ( 3.192 1.843 0.000) 3.686 8.456 ( 11.157 6.441 0.000) 12.883 8.732 ( 15.773 9.106 0.000) 18.213 8.803 ( 14.787 8.537 0.000) 17.075 8.974 ( 13.926 8.040 0.000) 16.080 9.136 ( 40.294 23.264 0.000) 46.528 9.869 ( 28.717 16.580 0.000) 33.160 10.322 ( 41.807 24.138 0.000) 48.275 10.696 ( 19.324 11.157 0.000) 22.313 11.171 ( 42.061 24.284 0.000) 48.568 11.732 ( -2.409 -1.391 0.000) 2.782 12.623 ( 18.605 10.741 0.000) 21.483 14.027 ( -12.936 -7.469 0.000) 14.937 14.042 ( -1.750 -1.010 0.000) 2.020 14.057 ( -1.648 -0.951 0.000) 1.902 14.395 ( 4.997 2.885 0.000) 5.770 14.412 ( 4.950 2.858 0.000) 5.716 14.425 ( -4.888 -2.822 0.000) 5.644 15.345 ( 10.515 6.071 0.000) 12.142 15.450 ( -2.876 -1.660 0.000) 3.321 16.647 ( -2.221 -1.282 0.000) 2.565 16.902 ( -2.512 -1.451 0.000) 2.901 17.787 ( 22.689 13.099 0.000) 26.199 18.404 ( 16.453 9.499 0.000) 18.998 20.716 ( -5.113 -2.952 0.000) 5.904 21.895 ( -12.751 -7.362 0.000) 14.724 22.023 ( -17.686 -10.211 0.000) 20.422 22.349 ( 0.809 0.467 0.000) 0.935 22.352 ( 0.794 0.458 0.000) 0.917 22.423 ( -9.987 -5.766 0.000) 11.532 23.650 ( 0.769 0.444 0.000) 0.888 23.651 ( 0.775 0.447 0.000) 0.895 24.063 ( -5.235 -3.023 0.000) 6.045 24.173 ( -7.947 -4.588 0.000) 9.176 24.755 ( -18.712 -10.803 0.000) 21.607 24.819 ( -21.094 -12.179 0.000) 24.358 26.062 ( -3.604 -2.081 0.000) 4.161 26.188 ( -7.710 -4.451 0.000) 8.903 ======================= Grid point 4 (5/74) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( 30.535 17.629 0.000) 35.259 3.958 ( 22.353 12.905 0.000) 25.811 4.670 ( 34.625 19.991 0.000) 39.982 4.768 ( 43.811 25.294 0.000) 50.588 4.841 ( 28.719 16.581 0.000) 33.162 4.938 ( 31.183 18.003 0.000) 36.007 5.542 ( 21.112 12.189 0.000) 24.378 5.568 ( 4.301 2.483 0.000) 4.966 6.403 ( 18.878 10.899 0.000) 21.799 6.438 ( 21.897 12.642 0.000) 25.284 6.849 ( 19.370 11.183 0.000) 22.366 7.346 ( 20.246 11.689 0.000) 23.378 7.643 ( 45.605 26.330 0.000) 52.660 8.136 ( 4.513 2.606 0.000) 5.212 8.315 ( 5.393 3.114 0.000) 6.227 8.411 ( 31.964 18.454 0.000) 36.909 8.712 ( 11.703 6.757 0.000) 13.514 9.112 ( 17.585 10.153 0.000) 20.305 9.165 ( 16.931 9.775 0.000) 19.550 9.247 ( 39.862 23.014 0.000) 46.029 9.492 ( 46.757 26.995 0.000) 53.990 10.026 ( 35.607 20.558 0.000) 41.116 10.538 ( 30.735 17.745 0.000) 35.489 11.223 ( 22.621 13.060 0.000) 26.121 11.366 ( 50.386 29.090 0.000) 58.181 11.650 ( 10.681 6.167 0.000) 12.334 12.161 ( 30.932 17.859 0.000) 35.717 13.181 ( 23.052 13.309 0.000) 26.618 13.769 ( -4.098 -2.366 0.000) 4.732 13.994 ( -2.423 -1.399 0.000) 2.798 14.012 ( -2.370 -1.368 0.000) 2.737 14.397 ( 7.035 4.062 0.000) 8.124 14.519 ( 5.930 3.424 0.000) 6.847 14.534 ( 5.857 3.382 0.000) 6.764 15.328 ( -7.818 -4.514 0.000) 9.027 15.535 ( 5.659 3.267 0.000) 6.534 16.680 ( 4.946 2.856 0.000) 5.711 16.769 ( -4.569 -2.638 0.000) 5.275 18.348 ( 23.261 13.430 0.000) 26.860 18.743 ( 13.504 7.796 0.000) 15.593 20.610 ( -4.118 -2.378 0.000) 4.755 21.560 ( -16.180 -9.341 0.000) 18.682 21.712 ( -10.370 -5.987 0.000) 11.975 22.179 ( -11.425 -6.596 0.000) 13.193 22.368 ( 0.852 0.492 0.000) 0.984 22.370 ( 0.835 0.482 0.000) 0.965 23.670 ( 0.967 0.558 0.000) 1.117 23.671 ( 0.971 0.560 0.000) 1.121 23.910 ( -8.495 -4.905 0.000) 9.809 23.989 ( -8.640 -4.988 0.000) 9.977 24.336 ( -18.471 -10.664 0.000) 21.329 24.357 ( -19.401 -11.201 0.000) 22.403 25.896 ( -10.720 -6.189 0.000) 12.378 25.958 ( -12.511 -7.223 0.000) 14.447 ======================= Grid point 5 (6/74) ======================= q-point: ( 0.28 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.131 ( 24.553 14.175 0.000) 28.351 4.431 ( 19.511 11.265 0.000) 22.530 5.344 ( 25.182 14.539 0.000) 29.078 5.429 ( 23.213 13.402 0.000) 26.804 5.560 ( 26.729 15.432 0.000) 30.864 5.738 ( 13.106 7.567 0.000) 15.133 5.816 ( 43.177 24.928 0.000) 49.856 5.991 ( 18.439 10.646 0.000) 21.291 6.811 ( 13.044 7.531 0.000) 15.062 6.817 ( 17.743 10.244 0.000) 20.488 7.277 ( 18.320 10.577 0.000) 21.154 7.514 ( 1.427 0.824 0.000) 1.648 8.257 ( 6.135 3.542 0.000) 7.085 8.296 ( 10.949 6.321 0.000) 12.643 8.454 ( 6.716 3.878 0.000) 7.755 8.798 ( 1.742 1.006 0.000) 2.011 9.376 ( 48.100 27.771 0.000) 55.541 9.506 ( 17.064 9.852 0.000) 19.704 9.545 ( 16.469 9.508 0.000) 19.017 10.045 ( 29.324 16.930 0.000) 33.860 10.530 ( 35.621 20.566 0.000) 41.132 10.794 ( 34.467 19.900 0.000) 39.800 11.176 ( 23.605 13.628 0.000) 27.257 11.561 ( 15.178 8.763 0.000) 17.526 12.142 ( 22.159 12.794 0.000) 25.588 12.425 ( 31.904 18.420 0.000) 36.839 12.781 ( 37.540 21.674 0.000) 43.347 13.289 ( 1.111 0.641 0.000) 1.282 13.935 ( -2.806 -1.620 0.000) 3.240 13.953 ( -2.794 -1.613 0.000) 3.226 14.127 ( 22.381 12.922 0.000) 25.843 14.656 ( 6.154 3.553 0.000) 7.107 14.670 ( 6.097 3.520 0.000) 7.040 14.838 ( 27.730 16.010 0.000) 32.020 15.119 ( -7.326 -4.230 0.000) 8.460 15.704 ( 12.886 7.440 0.000) 14.879 16.740 ( 1.417 0.818 0.000) 1.637 16.837 ( 8.215 4.743 0.000) 9.486 18.791 ( 16.025 9.252 0.000) 18.504 19.010 ( 10.238 5.911 0.000) 11.822 20.539 ( -2.010 -1.161 0.000) 2.321 21.217 ( -13.719 -7.920 0.000) 15.841 21.525 ( -6.496 -3.751 0.000) 7.501 21.922 ( -11.001 -6.352 0.000) 12.703 22.386 ( 0.778 0.449 0.000) 0.898 22.388 ( 0.759 0.438 0.000) 0.876 23.672 ( -12.758 -7.366 0.000) 14.732 23.693 ( 1.070 0.617 0.000) 1.235 23.694 ( 1.069 0.617 0.000) 1.234 23.767 ( -11.655 -6.729 0.000) 13.458 23.939 ( -16.012 -9.245 0.000) 18.490 23.970 ( -14.833 -8.564 0.000) 17.127 25.599 ( -15.290 -8.828 0.000) 17.655 25.635 ( -16.033 -9.257 0.000) 18.514 ======================= Grid point 6 (7/74) ======================= 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 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.611 ( 18.137 10.471 0.000) 20.942 4.827 ( 15.573 8.991 0.000) 17.983 5.714 ( 10.070 5.814 0.000) 11.627 5.881 ( 17.038 9.837 0.000) 19.674 6.069 ( 20.058 11.581 0.000) 23.161 6.229 ( 25.254 14.581 0.000) 29.161 6.364 ( 14.660 8.464 0.000) 16.927 6.723 ( 36.526 21.088 0.000) 42.176 7.074 ( 11.121 6.421 0.000) 12.842 7.194 ( 15.548 8.976 0.000) 17.953 7.514 ( 0.121 0.070 0.000) 0.139 7.657 ( 15.108 8.723 0.000) 17.446 8.404 ( 6.677 3.855 0.000) 7.710 8.418 ( 2.780 1.605 0.000) 3.211 8.605 ( 6.369 3.677 0.000) 7.354 8.770 ( -3.087 -1.782 0.000) 3.565 9.865 ( 14.596 8.427 0.000) 16.854 9.891 ( 14.038 8.105 0.000) 16.210 10.255 ( 18.879 10.900 0.000) 21.799 10.525 ( 21.385 12.347 0.000) 24.693 11.024 ( 5.835 3.369 0.000) 6.738 11.502 ( 29.928 17.279 0.000) 34.558 11.564 ( 15.722 9.077 0.000) 18.154 12.108 ( 23.911 13.805 0.000) 27.610 12.247 ( -2.965 -1.712 0.000) 3.423 12.957 ( 23.697 13.682 0.000) 27.363 13.649 ( 25.670 14.821 0.000) 29.641 13.855 ( 46.033 26.577 0.000) 53.154 13.871 ( -2.779 -1.604 0.000) 3.209 13.889 ( -2.844 -1.642 0.000) 3.284 14.469 ( 11.239 6.489 0.000) 12.977 14.790 ( 5.647 3.260 0.000) 6.521 14.803 ( 5.604 3.236 0.000) 6.471 14.885 ( -3.624 -2.092 0.000) 4.184 15.640 ( 32.661 18.857 0.000) 37.714 16.175 ( 26.169 15.109 0.000) 30.218 16.800 ( 3.769 2.176 0.000) 4.352 17.029 ( 8.612 4.972 0.000) 9.944 19.070 ( 8.943 5.163 0.000) 10.327 19.203 ( 6.866 3.964 0.000) 7.928 20.529 ( 1.265 0.730 0.000) 1.460 20.962 ( -8.708 -5.027 0.000) 10.055 21.418 ( -3.008 -1.737 0.000) 3.474 21.700 ( -8.364 -4.829 0.000) 9.658 22.402 ( 0.623 0.360 0.000) 0.719 22.404 ( 0.599 0.346 0.000) 0.691 23.358 ( -14.326 -8.271 0.000) 16.542 23.456 ( -15.169 -8.758 0.000) 17.516 23.639 ( -11.062 -6.387 0.000) 12.774 23.682 ( -11.236 -6.487 0.000) 12.974 23.717 ( 1.027 0.593 0.000) 1.185 23.718 ( 1.023 0.591 0.000) 1.181 25.225 ( -17.530 -10.121 0.000) 20.241 25.249 ( -17.883 -10.325 0.000) 20.650 ======================= Grid point 7 (8/74) ======================= q-point: ( 0.39 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.947 ( 11.774 6.798 0.000) 13.596 5.127 ( 10.904 6.295 0.000) 12.591 5.897 ( 6.630 3.828 0.000) 7.655 6.199 ( 11.357 6.557 0.000) 13.114 6.427 ( 11.268 6.506 0.000) 13.011 6.647 ( 10.364 5.984 0.000) 11.967 6.736 ( 18.389 10.617 0.000) 21.234 7.316 ( 12.513 7.224 0.000) 14.449 7.379 ( 15.010 8.666 0.000) 17.332 7.502 ( 11.483 6.630 0.000) 13.260 7.630 ( 14.501 8.372 0.000) 16.745 7.943 ( 10.029 5.790 0.000) 11.581 8.478 ( 3.167 1.829 0.000) 3.657 8.548 ( 5.964 3.443 0.000) 6.886 8.696 ( -2.609 -1.506 0.000) 3.012 8.732 ( 4.813 2.779 0.000) 5.558 10.151 ( 10.613 6.127 0.000) 12.255 10.166 ( 10.164 5.868 0.000) 11.736 10.337 ( -5.483 -3.165 0.000) 6.331 10.779 ( -0.197 -0.114 0.000) 0.227 11.087 ( 1.240 0.716 0.000) 1.432 11.753 ( -11.514 -6.647 0.000) 13.295 11.982 ( 22.238 12.839 0.000) 25.678 12.364 ( 26.495 15.297 0.000) 30.594 12.710 ( 17.521 10.116 0.000) 20.231 13.424 ( 15.429 8.908 0.000) 17.815 13.814 ( -2.238 -1.292 0.000) 2.584 13.829 ( -2.416 -1.395 0.000) 2.789 14.070 ( 11.824 6.827 0.000) 13.653 14.495 ( 9.010 5.202 0.000) 10.404 14.905 ( 4.368 2.522 0.000) 5.044 14.916 ( 4.328 2.499 0.000) 4.998 14.939 ( 28.642 16.537 0.000) 33.073 15.103 ( 25.043 14.459 0.000) 28.917 16.254 ( 20.609 11.899 0.000) 23.798 16.676 ( 14.200 8.198 0.000) 16.397 16.960 ( 12.601 7.275 0.000) 14.550 17.220 ( 8.057 4.652 0.000) 9.304 19.208 ( 3.793 2.190 0.000) 4.379 19.312 ( 2.708 1.563 0.000) 3.127 20.595 ( 4.339 2.505 0.000) 5.010 20.829 ( -3.343 -1.930 0.000) 3.860 21.391 ( 0.635 0.366 0.000) 0.733 21.562 ( -3.721 -2.148 0.000) 4.297 22.414 ( 0.426 0.246 0.000) 0.492 22.415 ( 0.399 0.231 0.000) 0.461 23.054 ( -12.255 -7.075 0.000) 14.151 23.126 ( -13.618 -7.862 0.000) 15.725 23.425 ( -7.850 -4.532 0.000) 9.064 23.458 ( -8.474 -4.892 0.000) 9.785 23.738 ( 0.812 0.469 0.000) 0.938 23.739 ( 0.813 0.470 0.000) 0.939 24.832 ( -16.747 -9.669 0.000) 19.338 24.850 ( -17.015 -9.824 0.000) 19.647 ======================= Grid point 8 (9/74) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.144 ( 5.776 3.335 0.000) 6.669 5.313 ( 5.616 3.242 0.000) 6.485 6.011 ( 3.384 1.954 0.000) 3.908 6.393 ( 5.817 3.359 0.000) 6.717 6.592 ( 4.099 2.367 0.000) 4.733 6.826 ( 5.468 3.157 0.000) 6.314 7.019 ( 7.032 4.060 0.000) 8.120 7.549 ( 7.635 4.408 0.000) 8.816 7.606 ( 9.020 5.208 0.000) 10.416 7.699 ( 5.945 3.432 0.000) 6.865 7.950 ( 7.437 4.294 0.000) 8.587 8.106 ( 4.603 2.658 0.000) 5.315 8.575 ( 4.957 2.862 0.000) 5.724 8.661 ( 3.721 2.148 0.000) 4.296 8.706 ( 4.143 2.392 0.000) 4.784 8.816 ( 2.614 1.509 0.000) 3.019 10.128 ( -10.333 -5.966 0.000) 11.932 10.335 ( 5.599 3.233 0.000) 6.465 10.341 ( 5.306 3.063 0.000) 6.126 10.739 ( -1.828 -1.056 0.000) 2.111 11.047 ( -4.220 -2.436 0.000) 4.872 11.481 ( -8.316 -4.801 0.000) 9.602 12.482 ( 17.666 10.200 0.000) 20.399 12.803 ( 9.929 5.732 0.000) 11.465 12.963 ( 7.260 4.192 0.000) 8.383 13.651 ( 6.367 3.676 0.000) 7.352 13.774 ( -1.208 -0.698 0.000) 1.395 13.784 ( -1.457 -0.841 0.000) 1.683 14.283 ( 7.287 4.207 0.000) 8.415 14.640 ( 5.217 3.012 0.000) 6.024 14.982 ( 2.395 1.383 0.000) 2.766 14.993 ( 2.365 1.366 0.000) 2.731 15.430 ( 15.049 8.688 0.000) 17.377 15.697 ( 20.777 11.995 0.000) 23.991 16.553 ( 6.906 3.987 0.000) 7.975 16.898 ( 8.502 4.909 0.000) 9.817 17.251 ( 9.397 5.425 0.000) 10.851 17.364 ( 4.252 2.455 0.000) 4.909 19.262 ( 1.341 0.774 0.000) 1.548 19.335 ( -0.173 -0.100 0.000) 0.200 20.697 ( 3.864 2.231 0.000) 4.462 20.791 ( -0.481 -0.278 0.000) 0.555 21.436 ( 2.726 1.574 0.000) 3.148 21.530 ( 0.432 0.249 0.000) 0.499 22.421 ( 0.217 0.125 0.000) 0.251 22.422 ( 0.194 0.112 0.000) 0.224 22.825 ( -7.581 -4.377 0.000) 8.754 22.864 ( -9.062 -5.232 0.000) 10.464 23.294 ( -3.681 -2.125 0.000) 4.251 23.312 ( -4.272 -2.466 0.000) 4.932 23.752 ( 0.448 0.259 0.000) 0.518 23.753 ( 0.453 0.262 0.000) 0.523 24.508 ( -11.076 -6.395 0.000) 12.790 24.519 ( -11.453 -6.612 0.000) 13.225 ======================= Grid point 9 (10/74) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.209 ( 0.000 0.000 0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 0.000) 0.000 7.637 ( 0.000 0.000 0.000) 0.000 7.736 ( 0.000 0.000 0.000) 0.000 7.766 ( 0.000 0.000 0.000) 0.000 7.994 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.643 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 0.000 0.000) 0.000 8.788 ( 0.000 0.000 0.000) 0.000 8.846 ( 0.000 0.000 0.000) 0.000 9.991 ( 0.000 0.000 0.000) 0.000 10.399 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 10.714 ( 0.000 0.000 0.000) 0.000 10.979 ( 0.000 0.000 0.000) 0.000 11.396 ( 0.000 0.000 0.000) 0.000 12.695 ( 0.000 0.000 0.000) 0.000 12.878 ( 0.000 0.000 0.000) 0.000 13.054 ( 0.000 0.000 0.000) 0.000 13.731 ( 0.000 0.000 0.000) 0.000 13.761 ( 0.000 0.000 0.000) 0.000 13.767 ( 0.000 0.000 0.000) 0.000 14.370 ( 0.000 0.000 0.000) 0.000 14.704 ( 0.000 0.000 0.000) 0.000 15.009 ( 0.000 0.000 0.000) 0.000 15.020 ( 0.000 0.000 0.000) 0.000 15.600 ( 0.000 0.000 0.000) 0.000 15.936 ( 0.000 0.000 0.000) 0.000 16.625 ( 0.000 0.000 0.000) 0.000 17.016 ( 0.000 0.000 0.000) 0.000 17.343 ( 0.000 0.000 0.000) 0.000 17.414 ( 0.000 0.000 0.000) 0.000 19.277 ( 0.001 0.000 0.000) 0.001 19.328 ( 0.000 0.000 0.000) 0.000 20.741 ( 0.000 0.000 0.000) 0.000 20.790 ( 0.000 0.000 0.000) 0.000 21.474 ( 0.000 0.000 0.000) 0.000 21.544 ( 0.000 0.000 0.000) 0.000 22.424 ( -0.010 -0.006 0.000) 0.011 22.424 ( 0.010 0.006 0.000) 0.011 22.739 ( 0.000 0.000 0.000) 0.000 22.751 ( 0.000 0.000 0.000) 0.000 23.255 ( 0.000 0.000 0.000) 0.000 23.265 ( 0.000 0.000 0.000) 0.000 23.757 ( 0.000 0.000 0.000) 0.000 23.758 ( 0.000 0.000 0.000) 0.000 24.378 ( 0.000 0.000 0.000) 0.000 24.380 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 20 (11/74) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 24.883 43.098 0.000) 49.765 2.107 ( 31.047 53.775 0.000) 62.094 2.845 ( 12.125 21.001 0.000) 24.250 3.228 ( 14.327 24.816 0.000) 28.655 3.309 ( 16.305 28.241 0.000) 32.610 3.335 ( 17.202 29.795 0.000) 34.405 3.450 ( 48.366 83.772 0.000) 96.732 4.512 ( 10.177 17.627 0.000) 20.354 5.109 ( 20.617 35.709 0.000) 41.234 5.438 ( 3.312 5.736 0.000) 6.624 5.506 ( 8.620 14.930 0.000) 17.240 5.725 ( 22.057 38.204 0.000) 44.114 5.968 ( 8.353 14.467 0.000) 16.705 6.097 ( 27.420 47.494 0.000) 54.841 6.567 ( 22.182 38.420 0.000) 44.364 7.946 ( 3.218 5.574 0.000) 6.436 8.107 ( 11.221 19.435 0.000) 22.441 8.167 ( 3.259 5.645 0.000) 6.518 8.204 ( 4.742 8.213 0.000) 9.484 8.395 ( 6.820 11.813 0.000) 13.640 8.461 ( 4.686 8.116 0.000) 9.371 8.626 ( 6.942 12.023 0.000) 13.883 9.027 ( 18.231 31.577 0.000) 36.462 9.196 ( 19.012 32.929 0.000) 38.024 10.071 ( 15.203 26.332 0.000) 30.406 10.502 ( -2.559 -4.432 0.000) 5.118 11.917 ( -4.539 -7.862 0.000) 9.078 12.463 ( -3.634 -6.293 0.000) 7.267 14.087 ( 0.034 0.059 0.000) 0.069 14.092 ( 0.071 0.123 0.000) 0.142 14.273 ( 0.683 1.184 0.000) 1.367 14.281 ( 1.185 2.053 0.000) 2.370 14.295 ( -1.375 -2.381 0.000) 2.749 14.438 ( 3.468 6.007 0.000) 6.937 14.971 ( 9.067 15.704 0.000) 18.133 15.616 ( -5.330 -9.233 0.000) 10.661 16.207 ( 24.505 42.443 0.000) 49.009 16.813 ( -4.326 -7.494 0.000) 8.653 17.799 ( -9.852 -17.064 0.000) 19.703 17.898 ( 10.271 17.790 0.000) 20.542 20.860 ( -2.668 -4.621 0.000) 5.336 22.193 ( -4.455 -7.717 0.000) 8.911 22.331 ( 0.436 0.756 0.000) 0.873 22.334 ( 0.426 0.738 0.000) 0.852 22.628 ( -14.605 -25.296 0.000) 29.209 22.656 ( -3.651 -6.324 0.000) 7.302 23.634 ( 0.348 0.602 0.000) 0.696 23.635 ( 0.356 0.616 0.000) 0.712 24.170 ( -1.477 -2.559 0.000) 2.954 24.378 ( -2.923 -5.063 0.000) 5.846 25.280 ( -9.993 -17.309 0.000) 19.987 25.403 ( -11.082 -19.195 0.000) 22.165 25.996 ( 4.512 7.814 0.000) 9.023 26.303 ( -0.243 -0.421 0.000) 0.486 ======================= Grid point 21 (12/74) ======================= q-point: ( 0.11 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 26.813 39.285 0.000) 47.563 3.199 ( 39.489 45.095 0.000) 59.941 3.327 ( 16.235 26.816 0.000) 31.348 3.760 ( 21.628 23.094 0.000) 31.640 3.937 ( 23.008 29.679 0.000) 37.553 3.972 ( 24.512 25.683 0.000) 35.503 4.924 ( 15.020 21.368 0.000) 26.119 5.061 ( 52.732 57.453 0.000) 77.984 5.504 ( 4.083 3.280 0.000) 5.237 5.862 ( 13.281 18.693 0.000) 22.930 5.898 ( 31.578 32.526 0.000) 45.333 6.314 ( 12.572 18.779 0.000) 22.599 6.562 ( 31.022 31.565 0.000) 44.258 7.136 ( 37.510 41.094 0.000) 55.639 7.489 ( 41.298 44.674 0.000) 60.839 8.044 ( 2.733 4.287 0.000) 5.084 8.265 ( 0.715 9.761 0.000) 9.788 8.379 ( 6.726 10.144 0.000) 12.172 8.641 ( 13.979 16.113 0.000) 21.331 8.700 ( 11.194 15.664 0.000) 19.253 8.780 ( 26.271 26.743 0.000) 37.488 8.890 ( 10.005 13.520 0.000) 16.819 9.663 ( 20.152 27.041 0.000) 33.725 9.926 ( 32.956 28.499 0.000) 43.569 10.562 ( 9.187 10.185 0.000) 13.717 10.802 ( 32.751 34.490 0.000) 47.562 11.764 ( -4.555 -5.697 0.000) 7.294 12.497 ( 8.248 8.694 0.000) 11.984 14.076 ( -1.706 0.684 0.000) 1.838 14.085 ( -1.296 0.284 0.000) 1.327 14.120 ( -8.520 -10.389 0.000) 13.436 14.337 ( 3.029 0.678 0.000) 3.104 14.361 ( 3.936 4.127 0.000) 5.703 14.484 ( -1.720 0.374 0.000) 1.760 15.256 ( 9.252 11.022 0.000) 14.390 15.480 ( -3.040 -3.062 0.000) 4.315 16.678 ( -3.746 -3.626 0.000) 5.213 16.864 ( 9.706 10.158 0.000) 14.050 17.645 ( 7.253 7.908 0.000) 10.730 18.259 ( 13.259 14.079 0.000) 19.340 20.757 ( -3.938 -4.644 0.000) 6.089 21.989 ( -8.727 -10.443 0.000) 13.610 22.170 ( -14.774 -17.311 0.000) 22.758 22.350 ( 0.478 1.377 0.000) 1.457 22.352 ( 0.515 1.335 0.000) 1.430 22.495 ( -6.804 -8.269 0.000) 10.709 23.650 ( 0.462 1.135 0.000) 1.225 23.650 ( 0.463 1.161 0.000) 1.250 24.100 ( -3.288 -3.869 0.000) 5.077 24.234 ( -5.935 -7.062 0.000) 9.225 24.903 ( -14.120 -16.480 0.000) 21.702 24.985 ( -15.858 -18.520 0.000) 24.382 26.074 ( -0.300 -0.827 0.000) 0.880 26.237 ( -4.304 -5.526 0.000) 7.005 ======================= Grid point 22 (13/74) ======================= q-point: ( 0.17 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 23.121 36.925 0.000) 43.566 3.868 ( 14.997 29.715 0.000) 33.285 4.289 ( 40.037 37.014 0.000) 54.525 4.401 ( 27.322 23.173 0.000) 35.826 4.622 ( 24.435 27.797 0.000) 37.010 4.644 ( 26.667 23.218 0.000) 35.359 5.398 ( 15.321 21.076 0.000) 26.057 5.520 ( 4.249 2.110 0.000) 4.743 6.179 ( 26.065 21.047 0.000) 33.502 6.291 ( 14.243 20.829 0.000) 25.233 6.731 ( 13.659 20.617 0.000) 24.731 6.982 ( 46.652 40.666 0.000) 61.888 7.227 ( 25.679 12.604 0.000) 28.606 8.060 ( 28.496 23.686 0.000) 37.055 8.141 ( 3.303 7.762 0.000) 8.436 8.388 ( 5.550 19.012 0.000) 19.806 8.597 ( 10.581 9.352 0.000) 14.122 8.770 ( 43.472 39.847 0.000) 58.971 9.011 ( 14.662 16.809 0.000) 22.305 9.105 ( 15.599 26.937 0.000) 31.127 9.197 ( 14.422 16.524 0.000) 21.932 9.649 ( 35.822 28.448 0.000) 45.744 10.254 ( 23.394 20.888 0.000) 31.362 10.865 ( 42.906 32.501 0.000) 53.826 10.997 ( 22.380 19.963 0.000) 29.990 11.552 ( 10.133 6.819 0.000) 12.214 11.841 ( 24.945 19.089 0.000) 31.411 12.922 ( 23.288 19.084 0.000) 30.109 13.840 ( -10.001 -10.797 0.000) 14.717 14.046 ( -2.971 1.411 0.000) 3.289 14.057 ( -2.602 0.906 0.000) 2.755 14.338 ( 1.101 -2.618 0.000) 2.840 14.486 ( 4.862 5.995 0.000) 7.718 14.510 ( 2.628 5.972 0.000) 6.525 15.399 ( -4.662 -2.624 0.000) 5.349 15.478 ( 5.975 5.621 0.000) 8.204 16.642 ( 1.707 0.995 0.000) 1.976 16.816 ( -5.678 -5.975 0.000) 8.243 18.114 ( 21.727 18.672 0.000) 28.648 18.600 ( 12.850 10.018 0.000) 16.294 20.647 ( -3.811 -3.992 0.000) 5.519 21.696 ( -12.766 -13.104 0.000) 18.294 21.812 ( -10.568 -10.469 0.000) 14.875 22.273 ( -8.967 -9.338 0.000) 12.946 22.374 ( 0.262 2.035 0.000) 2.052 22.376 ( 0.305 2.008 0.000) 2.031 23.671 ( 0.383 1.559 0.000) 1.605 23.672 ( 0.385 1.619 0.000) 1.664 23.978 ( -5.804 -5.729 0.000) 8.155 24.060 ( -6.635 -6.939 0.000) 9.600 24.497 ( -15.424 -15.305 0.000) 21.728 24.531 ( -16.937 -16.853 0.000) 23.894 25.971 ( -6.603 -7.576 0.000) 10.050 26.052 ( -8.661 -9.607 0.000) 12.935 ======================= Grid point 23 (14/74) ======================= q-point: ( 0.22 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.032 ( 17.279 34.662 0.000) 38.730 4.389 ( 11.504 30.498 0.000) 32.596 5.071 ( 26.669 21.377 0.000) 34.179 5.133 ( 24.214 14.171 0.000) 28.056 5.305 ( 26.340 22.212 0.000) 34.455 5.420 ( 36.207 32.918 0.000) 48.934 5.649 ( 8.383 9.144 0.000) 12.405 5.863 ( 14.244 19.141 0.000) 23.859 6.644 ( 15.283 9.659 0.000) 18.079 6.727 ( 12.669 20.583 0.000) 24.169 7.152 ( 13.047 18.401 0.000) 22.557 7.441 ( 8.302 1.461 0.000) 8.430 8.061 ( 21.369 12.909 0.000) 24.966 8.332 ( 4.861 16.614 0.000) 17.310 8.423 ( 6.389 9.825 0.000) 11.720 8.839 ( 1.302 12.338 0.000) 12.406 8.889 ( 35.458 23.918 0.000) 42.771 9.437 ( 12.070 23.086 0.000) 26.051 9.486 ( 13.128 23.584 0.000) 26.991 9.697 ( 32.224 23.747 0.000) 40.029 10.143 ( 40.240 34.614 0.000) 53.079 10.443 ( 31.297 23.679 0.000) 39.245 10.870 ( 27.630 14.737 0.000) 31.314 11.441 ( 8.744 8.212 0.000) 11.996 11.852 ( 27.270 15.844 0.000) 31.539 11.986 ( 44.632 32.266 0.000) 55.074 12.468 ( 23.087 14.140 0.000) 27.073 13.291 ( -0.342 -2.580 0.000) 2.603 13.850 ( 18.518 9.717 0.000) 20.912 14.007 ( -3.795 2.440 0.000) 4.511 14.027 ( -2.018 4.353 0.000) 4.798 14.524 ( 17.175 9.032 0.000) 19.405 14.633 ( 4.839 7.045 0.000) 8.547 14.661 ( 7.849 11.363 0.000) 13.810 15.231 ( -9.709 -4.882 0.000) 10.867 15.607 ( 5.975 4.521 0.000) 7.493 16.720 ( -0.144 -2.141 0.000) 2.146 16.746 ( 6.788 3.340 0.000) 7.565 18.602 ( 17.682 11.923 0.000) 21.326 18.881 ( 11.144 5.989 0.000) 12.651 20.559 ( -2.491 -2.771 0.000) 3.726 21.344 ( -12.877 -12.461 0.000) 17.919 21.589 ( -6.856 -6.385 0.000) 9.369 22.021 ( -9.678 -9.381 0.000) 13.478 22.398 ( -0.132 2.569 0.000) 2.573 22.400 ( -0.110 2.529 0.000) 2.532 23.682 ( -0.996 -1.144 0.000) 1.517 23.689 ( -0.101 0.618 0.000) 0.626 23.795 ( -8.117 -5.330 0.000) 9.710 23.871 ( -7.991 -6.528 0.000) 10.319 24.092 ( -15.200 -14.020 0.000) 20.679 24.110 ( -14.506 -13.763 0.000) 19.996 25.721 ( -11.333 -11.738 0.000) 16.316 25.766 ( -12.254 -12.538 0.000) 17.532 ======================= Grid point 24 (15/74) ======================= q-point: ( 0.28 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.592 ( 10.458 31.949 0.000) 33.618 4.840 ( 7.013 29.621 0.000) 30.439 5.492 ( 14.402 0.604 0.000) 14.415 5.690 ( 22.405 16.109 0.000) 27.595 5.929 ( 18.763 20.317 0.000) 27.655 5.973 ( 19.610 15.115 0.000) 24.759 6.250 ( 12.945 15.342 0.000) 20.074 6.362 ( 34.136 29.871 0.000) 45.360 6.942 ( 11.728 6.530 0.000) 13.424 7.106 ( 10.034 16.508 0.000) 19.318 7.449 ( 7.001 2.898 0.000) 7.577 7.615 ( 7.440 15.942 0.000) 17.593 8.319 ( 6.407 6.524 0.000) 9.144 8.510 ( -0.320 13.143 0.000) 13.147 8.584 ( 3.524 9.227 0.000) 9.877 8.882 ( -5.504 7.780 0.000) 9.530 9.760 ( 19.932 18.435 0.000) 27.151 9.862 ( 8.480 23.239 0.000) 24.738 9.996 ( 28.709 31.224 0.000) 42.416 10.316 ( 16.425 10.749 0.000) 19.630 10.889 ( 21.655 14.394 0.000) 26.002 11.182 ( 24.929 20.162 0.000) 32.061 11.383 ( 18.408 7.137 0.000) 19.743 11.785 ( 26.396 14.912 0.000) 30.317 12.270 ( 2.485 -0.979 0.000) 2.671 12.691 ( 21.363 11.346 0.000) 24.189 13.308 ( 44.540 28.614 0.000) 52.939 13.402 ( 22.413 13.054 0.000) 25.938 13.948 ( -4.161 3.163 0.000) 5.226 13.962 ( -4.547 2.813 0.000) 5.347 14.318 ( 13.631 6.216 0.000) 14.981 14.731 ( 4.421 1.750 0.000) 4.755 14.800 ( 3.647 10.756 0.000) 11.357 14.998 ( -6.896 2.769 0.000) 7.431 15.269 ( 30.609 18.316 0.000) 35.670 15.900 ( 20.901 12.237 0.000) 24.220 16.740 ( 3.618 -1.099 0.000) 3.781 16.913 ( 8.930 2.669 0.000) 9.320 18.938 ( 12.160 5.385 0.000) 13.299 19.091 ( 9.112 1.952 0.000) 9.319 20.518 ( 0.046 -0.801 0.000) 0.802 21.045 ( -9.365 -9.391 0.000) 13.263 21.448 ( -3.899 -3.975 0.000) 5.568 21.778 ( -8.389 -8.236 0.000) 11.756 22.418 ( -0.603 2.589 0.000) 2.659 22.419 ( -0.597 2.589 0.000) 2.657 23.477 ( -11.386 -11.828 0.000) 16.418 23.574 ( -10.118 -11.215 0.000) 15.105 23.721 ( -7.113 -5.462 0.000) 8.968 23.730 ( -3.707 -0.984 0.000) 3.836 23.766 ( -5.848 -1.953 0.000) 6.166 23.794 ( -8.515 -6.534 0.000) 10.733 25.377 ( -14.247 -13.730 0.000) 19.786 25.406 ( -14.675 -14.031 0.000) 20.303 ======================= Grid point 25 (16/74) ======================= q-point: ( 0.33 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.005 ( 3.514 28.683 0.000) 28.898 5.197 ( 2.114 27.622 0.000) 27.703 5.694 ( 12.087 -3.649 0.000) 12.626 6.130 ( 13.563 12.152 0.000) 18.211 6.307 ( 11.008 11.568 0.000) 15.968 6.491 ( 17.752 10.784 0.000) 20.771 6.586 ( 12.561 14.543 0.000) 19.217 7.119 ( 22.216 16.168 0.000) 27.476 7.203 ( 12.646 7.405 0.000) 14.654 7.376 ( 12.876 8.465 0.000) 15.409 7.620 ( 5.008 15.596 0.000) 16.380 7.905 ( 6.432 15.356 0.000) 16.649 8.456 ( 2.097 6.907 0.000) 7.218 8.605 ( -1.939 10.948 0.000) 11.118 8.738 ( 1.551 12.313 0.000) 12.410 8.860 ( -6.354 11.263 0.000) 12.932 10.114 ( 6.957 14.598 0.000) 16.171 10.154 ( 2.794 15.855 0.000) 16.099 10.431 ( -0.547 11.090 0.000) 11.104 10.737 ( 13.065 10.050 0.000) 16.484 11.075 ( 1.249 2.628 0.000) 2.910 11.681 ( 16.755 7.345 0.000) 18.294 11.835 ( 14.099 6.480 0.000) 15.517 12.122 ( 7.891 3.477 0.000) 8.623 12.459 ( 25.052 13.494 0.000) 28.455 13.184 ( 22.134 8.723 0.000) 23.791 13.875 ( 8.999 6.233 0.000) 10.947 13.911 ( -4.578 4.423 0.000) 6.366 13.928 ( 2.981 8.251 0.000) 8.773 14.296 ( 27.947 15.424 0.000) 31.920 14.608 ( 22.055 10.268 0.000) 24.328 14.831 ( 12.593 3.557 0.000) 13.086 14.946 ( 0.797 11.681 0.000) 11.708 14.997 ( -0.504 11.783 0.000) 11.794 15.960 ( 27.853 13.291 0.000) 30.861 16.439 ( 23.540 10.710 0.000) 25.862 16.820 ( 8.132 0.142 0.000) 8.133 17.093 ( 9.958 1.362 0.000) 10.051 19.121 ( 7.053 -0.374 0.000) 7.063 19.225 ( 6.686 -2.131 0.000) 7.017 20.550 ( 3.295 1.570 0.000) 3.650 20.858 ( -4.225 -5.333 0.000) 6.804 21.381 ( -0.560 -2.023 0.000) 2.099 21.594 ( -4.817 -5.952 0.000) 7.657 22.426 ( -0.896 1.692 0.000) 1.915 22.428 ( -0.919 1.768 0.000) 1.992 23.165 ( -11.323 -11.207 0.000) 15.931 23.252 ( -12.573 -11.772 0.000) 17.224 23.492 ( -7.405 -8.114 0.000) 10.985 23.526 ( -7.641 -8.696 0.000) 11.576 23.760 ( -1.194 3.022 0.000) 3.250 23.762 ( -1.442 3.002 0.000) 3.331 24.993 ( -15.058 -13.146 0.000) 19.989 25.014 ( -15.343 -13.302 0.000) 20.307 ======================= Grid point 26 (17/74) ======================= q-point: ( 0.39 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.272 ( -2.871 25.185 0.000) 25.348 5.445 ( -3.117 24.769 0.000) 24.965 5.833 ( 9.796 -5.865 0.000) 11.417 6.401 ( 7.754 7.253 0.000) 10.617 6.517 ( 4.375 5.418 0.000) 6.964 6.738 ( 7.700 2.108 0.000) 7.984 6.928 ( 9.735 9.394 0.000) 13.528 7.437 ( 12.178 5.757 0.000) 13.470 7.453 ( 10.020 5.120 0.000) 11.253 7.783 ( 9.339 14.954 0.000) 17.630 7.875 ( 5.053 16.661 0.000) 17.411 8.115 ( 3.192 12.065 0.000) 12.480 8.549 ( 2.223 7.053 0.000) 7.396 8.651 ( -2.492 7.705 0.000) 8.098 8.869 ( -2.814 17.201 0.000) 17.429 8.915 ( -4.173 16.096 0.000) 16.628 10.138 ( -5.705 -7.757 0.000) 9.629 10.335 ( 2.681 10.412 0.000) 10.752 10.533 ( -5.525 22.606 0.000) 23.271 10.842 ( -4.813 9.414 0.000) 10.573 11.082 ( -2.369 -1.098 0.000) 2.611 11.581 ( -10.992 -9.234 0.000) 14.356 12.235 ( 23.869 11.768 0.000) 26.613 12.627 ( 20.339 10.977 0.000) 23.112 12.844 ( 11.310 3.821 0.000) 11.938 13.516 ( 11.857 0.781 0.000) 11.883 13.862 ( -5.535 6.065 0.000) 8.211 13.871 ( -5.308 5.302 0.000) 7.502 14.166 ( 9.972 3.298 0.000) 10.504 14.541 ( 7.623 0.019 0.000) 7.623 15.027 ( 0.764 10.063 0.000) 10.092 15.052 ( -1.648 11.265 0.000) 11.385 15.220 ( 20.815 12.296 0.000) 24.176 15.403 ( 28.002 14.617 0.000) 31.587 16.405 ( 14.770 3.395 0.000) 15.155 16.754 ( 11.170 0.296 0.000) 11.174 17.081 ( 15.810 4.252 0.000) 16.372 17.261 ( 8.686 -0.568 0.000) 8.705 19.191 ( 4.597 -4.252 0.000) 6.263 19.274 ( 3.888 -5.611 0.000) 6.827 20.646 ( 4.811 2.676 0.000) 5.505 20.788 ( -0.428 -1.980 0.000) 2.026 21.390 ( 2.882 -0.643 0.000) 2.953 21.509 ( 0.054 -3.206 0.000) 3.207 22.419 ( -0.667 -0.456 0.000) 0.808 22.422 ( -0.723 -0.236 0.000) 0.761 22.898 ( -8.227 -8.643 0.000) 11.932 22.954 ( -9.772 -9.433 0.000) 13.582 23.328 ( -4.314 -4.866 0.000) 6.503 23.350 ( -4.707 -5.417 0.000) 7.177 23.759 ( -1.131 0.685 0.000) 1.322 23.761 ( -1.076 0.824 0.000) 1.355 24.642 ( -12.722 -8.752 0.000) 15.442 24.657 ( -13.030 -8.967 0.000) 15.818 ======================= Grid point 27 (18/74) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.402 ( -8.734 21.755 0.000) 23.442 5.572 ( -8.614 21.461 0.000) 23.125 5.906 ( 6.687 -7.870 0.000) 10.327 6.537 ( 5.405 -2.248 0.000) 5.854 6.587 ( -2.506 7.148 0.000) 7.574 6.832 ( 4.516 -3.365 0.000) 5.631 7.086 ( 1.616 4.638 0.000) 4.911 7.619 ( 3.718 3.053 0.000) 4.811 7.681 ( 7.753 5.667 0.000) 9.603 7.942 ( -0.102 3.482 0.000) 3.483 7.985 ( -7.490 14.214 0.000) 16.066 8.252 ( -1.657 10.952 0.000) 11.077 8.673 ( 1.573 7.147 0.000) 7.318 8.692 ( -1.117 6.012 0.000) 6.115 8.964 ( -5.135 14.583 0.000) 15.461 8.992 ( -7.552 18.834 0.000) 20.292 9.953 ( -3.424 -7.606 0.000) 8.342 10.426 ( -0.247 4.567 0.000) 4.574 10.633 ( -10.033 23.095 0.000) 25.180 10.830 ( -7.135 9.512 0.000) 11.890 11.007 ( -3.924 1.033 0.000) 4.058 11.406 ( -2.778 -2.788 0.000) 3.935 12.630 ( 11.048 5.188 0.000) 12.205 12.847 ( 2.655 -1.511 0.000) 3.054 13.008 ( 5.621 0.718 0.000) 5.666 13.654 ( 6.614 -3.378 0.000) 7.427 13.837 ( -4.694 6.924 0.000) 8.365 13.842 ( -4.682 6.317 0.000) 7.863 14.319 ( 5.405 -0.406 0.000) 5.420 14.647 ( 5.128 -2.278 0.000) 5.611 15.089 ( -3.695 9.309 0.000) 10.015 15.107 ( -4.221 10.099 0.000) 10.946 15.553 ( 7.774 4.182 0.000) 8.828 15.850 ( 11.896 3.507 0.000) 12.402 16.563 ( 5.567 -2.831 0.000) 6.246 16.928 ( 8.763 -2.278 0.000) 9.054 17.285 ( 6.031 -1.818 0.000) 6.299 17.355 ( 4.886 -3.313 0.000) 5.903 19.210 ( 4.032 -6.212 0.000) 7.406 19.268 ( 3.245 -6.737 0.000) 7.478 20.730 ( 1.994 1.112 0.000) 2.283 20.782 ( 0.649 -0.497 0.000) 0.817 21.441 ( 3.074 -1.147 0.000) 3.281 21.513 ( 2.276 -2.103 0.000) 3.099 22.400 ( 0.631 -2.779 0.000) 2.850 22.404 ( 0.476 -2.376 0.000) 2.424 22.743 ( -2.178 -3.815 0.000) 4.393 22.764 ( -3.800 -4.929 0.000) 6.223 23.253 ( -0.970 -1.666 0.000) 1.927 23.266 ( -1.260 -1.783 0.000) 2.183 23.741 ( 0.259 -2.066 0.000) 2.082 23.743 ( 0.103 -1.930 0.000) 1.933 24.430 ( -6.061 -0.920 0.000) 6.131 24.436 ( -6.442 -1.125 0.000) 6.540 ======================= Grid point 39 (19/74) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( 23.949 41.480 0.000) 47.897 3.916 ( 18.785 32.537 0.000) 37.570 4.125 ( 27.591 47.788 0.000) 55.181 4.280 ( 17.182 29.760 0.000) 34.364 4.512 ( 17.086 29.594 0.000) 34.173 4.560 ( 19.064 33.019 0.000) 38.127 5.387 ( 14.370 24.889 0.000) 28.739 5.487 ( 1.903 3.297 0.000) 3.807 6.046 ( 18.438 31.936 0.000) 36.877 6.281 ( 13.554 23.477 0.000) 27.109 6.728 ( 17.566 30.425 0.000) 35.131 6.769 ( 29.164 50.513 0.000) 58.327 7.052 ( 10.211 17.685 0.000) 20.421 7.922 ( 20.850 36.113 0.000) 41.700 8.155 ( 4.319 7.481 0.000) 8.638 8.404 ( 18.906 32.745 0.000) 37.811 8.534 ( 8.765 15.182 0.000) 17.531 8.686 ( 22.235 38.512 0.000) 44.470 8.914 ( 7.745 13.415 0.000) 15.490 9.135 ( 15.944 27.615 0.000) 31.887 9.191 ( 10.830 18.758 0.000) 21.660 9.459 ( 22.666 39.259 0.000) 45.333 10.169 ( 13.734 23.788 0.000) 27.468 10.631 ( 25.715 44.540 0.000) 51.430 10.901 ( 14.239 24.662 0.000) 28.478 11.472 ( 12.731 22.051 0.000) 25.463 11.736 ( 7.390 12.799 0.000) 14.779 12.814 ( 13.454 23.302 0.000) 26.907 13.873 ( -8.006 -13.866 0.000) 16.011 14.088 ( -0.064 -0.111 0.000) 0.128 14.088 ( 0.265 0.458 0.000) 0.529 14.313 ( -1.139 -1.973 0.000) 2.278 14.473 ( 4.172 7.226 0.000) 8.344 14.521 ( 2.567 4.446 0.000) 5.134 15.429 ( -1.912 -3.312 0.000) 3.825 15.452 ( 4.805 8.322 0.000) 9.610 16.635 ( 0.012 0.020 0.000) 0.023 16.836 ( -4.338 -7.514 0.000) 8.676 18.016 ( 14.033 24.306 0.000) 28.066 18.535 ( 7.908 13.698 0.000) 15.817 20.660 ( -2.921 -5.059 0.000) 5.842 21.739 ( -8.968 -15.534 0.000) 17.937 21.852 ( -8.126 -14.074 0.000) 16.251 22.303 ( -6.478 -11.220 0.000) 12.956 22.384 ( 1.171 2.028 0.000) 2.341 22.385 ( 1.141 1.977 0.000) 2.283 23.677 ( 0.877 1.520 0.000) 1.755 23.678 ( 0.909 1.575 0.000) 1.819 23.998 ( -3.827 -6.629 0.000) 7.654 24.081 ( -4.866 -8.429 0.000) 9.733 24.553 ( -10.984 -19.025 0.000) 21.968 24.592 ( -12.211 -21.149 0.000) 24.421 25.987 ( -4.699 -8.139 0.000) 9.398 26.076 ( -6.323 -10.951 0.000) 12.646 ======================= Grid point 40 (20/74) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.120 ( 19.284 41.123 0.000) 45.420 4.536 ( 13.587 36.683 0.000) 39.118 4.895 ( 21.675 27.516 0.000) 35.028 4.943 ( 20.503 25.686 0.000) 32.866 5.113 ( 22.239 25.294 0.000) 33.680 5.241 ( 25.065 35.186 0.000) 43.201 5.621 ( 7.645 12.289 0.000) 14.472 5.854 ( 12.399 23.074 0.000) 26.195 6.507 ( 13.185 13.998 0.000) 19.229 6.746 ( 12.785 24.627 0.000) 27.748 7.177 ( 8.754 22.660 0.000) 24.292 7.304 ( 10.671 5.452 0.000) 11.983 7.842 ( 28.547 33.730 0.000) 44.189 8.372 ( 8.367 13.233 0.000) 15.656 8.421 ( 12.837 24.461 0.000) 27.625 8.654 ( 9.853 6.796 0.000) 11.969 9.030 ( 0.008 24.833 0.000) 24.833 9.309 ( 31.721 27.310 0.000) 41.858 9.474 ( 16.729 29.174 0.000) 33.630 9.617 ( 12.962 26.551 0.000) 29.546 9.938 ( 32.194 50.629 0.000) 59.998 10.215 ( 25.099 28.804 0.000) 38.205 10.611 ( 17.924 15.283 0.000) 23.555 11.423 ( 8.313 17.915 0.000) 19.750 11.554 ( 28.287 24.276 0.000) 37.276 11.689 ( 25.261 29.050 0.000) 38.496 12.266 ( 18.813 19.721 0.000) 27.255 13.239 ( 7.036 6.602 0.000) 9.648 13.715 ( 5.476 3.885 0.000) 6.714 14.084 ( -1.482 2.239 0.000) 2.685 14.100 ( -0.879 3.710 0.000) 3.813 14.386 ( 9.089 8.796 0.000) 12.649 14.634 ( 4.500 8.941 0.000) 10.010 14.650 ( 5.900 8.791 0.000) 10.588 15.322 ( -5.889 -4.794 0.000) 7.593 15.576 ( 3.362 4.624 0.000) 5.717 16.686 ( 3.681 3.208 0.000) 4.883 16.710 ( -2.256 -4.414 0.000) 4.957 18.462 ( 14.133 16.204 0.000) 21.501 18.779 ( 8.212 8.078 0.000) 11.519 20.568 ( -2.493 -3.825 0.000) 4.566 21.407 ( -10.932 -15.717 0.000) 19.145 21.627 ( -6.127 -8.591 0.000) 10.552 22.067 ( -7.963 -11.453 0.000) 13.949 22.425 ( 0.664 3.020 0.000) 3.092 22.426 ( 0.674 2.991 0.000) 3.066 23.691 ( -1.123 -1.098 0.000) 1.571 23.700 ( -0.289 0.410 0.000) 0.502 23.850 ( -5.065 -6.043 0.000) 7.885 23.914 ( -5.315 -7.162 0.000) 8.919 24.173 ( -12.597 -17.576 0.000) 21.625 24.186 ( -12.653 -17.961 0.000) 21.971 25.765 ( -8.781 -13.397 0.000) 16.018 25.815 ( -9.647 -14.574 0.000) 17.477 ======================= Grid point 41 (21/74) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.780 ( 11.993 39.644 0.000) 41.418 5.061 ( 7.665 32.872 0.000) 33.754 5.329 ( 9.406 11.467 0.000) 14.831 5.510 ( 20.471 23.297 0.000) 31.013 5.739 ( 23.895 21.902 0.000) 32.414 5.877 ( 15.011 17.486 0.000) 23.045 6.156 ( 26.063 35.847 0.000) 44.320 6.249 ( 10.439 20.427 0.000) 22.940 6.817 ( 11.274 8.607 0.000) 14.184 7.131 ( 6.538 14.863 0.000) 16.238 7.393 ( 6.850 9.658 0.000) 11.841 7.649 ( 10.163 20.806 0.000) 23.156 8.299 ( 8.685 14.756 0.000) 17.122 8.618 ( 5.460 15.788 0.000) 16.706 8.664 ( -0.285 11.316 0.000) 11.320 9.062 ( -1.659 11.990 0.000) 12.104 9.468 ( 34.303 31.621 0.000) 46.654 9.982 ( 11.192 31.381 0.000) 33.317 10.035 ( 11.925 29.977 0.000) 32.262 10.165 ( 19.866 24.791 0.000) 31.768 10.678 ( 18.818 20.675 0.000) 27.957 11.020 ( 25.942 30.168 0.000) 39.788 11.103 ( 23.875 12.889 0.000) 27.132 11.564 ( 11.015 5.976 0.000) 12.531 12.147 ( 15.332 9.922 0.000) 18.262 12.475 ( 18.773 14.761 0.000) 23.882 12.890 ( 37.670 33.077 0.000) 50.131 13.251 ( 6.694 3.655 0.000) 7.627 13.994 ( 5.665 5.297 0.000) 7.756 14.077 ( -3.420 4.858 0.000) 5.942 14.195 ( 7.247 9.564 0.000) 12.000 14.664 ( 6.184 2.471 0.000) 6.659 14.841 ( 6.942 14.983 0.000) 16.514 14.968 ( 20.597 19.484 0.000) 28.352 15.184 ( -6.041 1.862 0.000) 6.321 15.737 ( 10.813 9.472 0.000) 14.375 16.673 ( 1.520 -2.887 0.000) 3.263 16.801 ( 6.389 2.005 0.000) 6.696 18.793 ( 11.380 7.359 0.000) 13.552 18.962 ( 7.514 1.992 0.000) 7.773 20.511 ( -0.737 -1.842 0.000) 1.984 21.094 ( -9.183 -12.677 0.000) 15.654 21.470 ( -4.221 -5.748 0.000) 7.131 21.823 ( -7.848 -10.630 0.000) 13.213 22.460 ( -0.418 3.457 0.000) 3.482 22.461 ( -0.378 3.455 0.000) 3.475 23.525 ( -8.917 -12.667 0.000) 15.491 23.605 ( -6.679 -10.073 0.000) 12.086 23.782 ( -4.345 -2.401 0.000) 4.964 23.796 ( -8.846 -9.491 0.000) 12.974 23.829 ( -4.456 -3.117 0.000) 5.438 23.850 ( -7.130 -8.844 0.000) 11.360 25.445 ( -11.500 -16.225 0.000) 19.887 25.478 ( -11.919 -16.658 0.000) 20.483 ======================= Grid point 42 (22/74) ======================= q-point: ( 0.28 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.288 ( 4.229 36.145 0.000) 36.391 5.403 ( 7.868 10.529 0.000) 13.144 5.607 ( 1.869 27.652 0.000) 27.715 6.002 ( 14.615 15.446 0.000) 21.265 6.244 ( 12.284 12.856 0.000) 17.782 6.316 ( 18.662 17.461 0.000) 25.556 6.570 ( 8.085 18.295 0.000) 20.002 6.944 ( 23.827 28.023 0.000) 36.783 7.078 ( 10.890 7.594 0.000) 13.276 7.264 ( 6.608 2.399 0.000) 7.030 7.698 ( 7.648 21.924 0.000) 23.220 7.984 ( 5.960 19.511 0.000) 20.401 8.548 ( 1.926 17.266 0.000) 17.373 8.758 ( -1.412 12.078 0.000) 12.160 8.880 ( 2.759 22.029 0.000) 22.201 9.092 ( -5.761 13.313 0.000) 14.506 10.142 ( 11.991 19.119 0.000) 22.568 10.326 ( -2.729 13.895 0.000) 14.161 10.532 ( 12.869 20.776 0.000) 24.438 10.630 ( 13.755 34.022 0.000) 36.697 11.080 ( 6.059 7.085 0.000) 9.323 11.482 ( 12.851 4.818 0.000) 13.724 11.580 ( 24.751 18.726 0.000) 31.036 12.067 ( 11.288 2.367 0.000) 11.533 12.201 ( 11.591 6.890 0.000) 13.484 12.898 ( 20.620 9.493 0.000) 22.700 13.669 ( 21.071 15.002 0.000) 25.866 13.907 ( 38.854 28.010 0.000) 47.898 14.050 ( -2.289 7.034 0.000) 7.397 14.068 ( -4.511 8.017 0.000) 9.199 14.411 ( 11.165 5.321 0.000) 12.368 14.686 ( 3.711 -4.428 0.000) 5.778 15.076 ( 1.801 17.108 0.000) 17.203 15.177 ( -3.264 14.848 0.000) 15.202 15.616 ( 28.200 15.802 0.000) 32.326 16.149 ( 22.233 12.320 0.000) 25.419 16.690 ( 4.767 -3.940 0.000) 6.184 16.933 ( 8.549 -0.675 0.000) 8.576 18.984 ( 7.555 -1.017 0.000) 7.623 19.072 ( 6.833 -4.198 0.000) 8.020 20.516 ( 2.079 0.754 0.000) 2.211 20.869 ( -5.014 -8.190 0.000) 9.603 21.373 ( -1.794 -3.747 0.000) 4.154 21.610 ( -5.702 -8.772 0.000) 10.462 22.472 ( -1.762 2.322 0.000) 2.915 22.474 ( -1.704 2.389 0.000) 2.934 23.223 ( -10.300 -13.948 0.000) 17.339 23.323 ( -10.983 -14.164 0.000) 17.923 23.525 ( -7.196 -10.204 0.000) 12.487 23.557 ( -7.346 -10.639 0.000) 12.929 23.820 ( -1.703 3.306 0.000) 3.719 23.825 ( -1.925 3.068 0.000) 3.622 25.081 ( -12.361 -15.860 0.000) 20.107 25.106 ( -12.639 -16.044 0.000) 20.425 ======================= Grid point 43 (23/74) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.581 ( 8.037 0.330 0.000) 8.044 5.628 ( -2.367 30.513 0.000) 30.604 5.887 ( -4.838 32.939 0.000) 33.292 6.293 ( 8.027 5.377 0.000) 9.662 6.513 ( 6.915 9.411 0.000) 11.678 6.649 ( 6.928 6.809 0.000) 9.713 6.892 ( 8.640 16.012 0.000) 18.194 7.320 ( 9.751 8.828 0.000) 13.154 7.344 ( 10.889 9.084 0.000) 14.181 7.668 ( 18.574 17.913 0.000) 25.805 8.020 ( 4.753 22.351 0.000) 22.850 8.228 ( 2.018 16.939 0.000) 17.059 8.691 ( -4.170 17.227 0.000) 17.725 8.826 ( -4.843 12.340 0.000) 13.257 9.110 ( -2.609 22.965 0.000) 23.113 9.192 ( -3.361 23.405 0.000) 23.645 10.225 ( -9.813 -1.845 0.000) 9.985 10.406 ( 2.219 9.774 0.000) 10.023 10.867 ( -1.294 30.502 0.000) 30.530 11.061 ( -0.928 24.060 0.000) 24.078 11.135 ( -2.765 5.865 0.000) 6.484 11.644 ( -6.764 -10.616 0.000) 12.587 11.935 ( 22.392 9.341 0.000) 24.262 12.356 ( 24.989 14.057 0.000) 28.671 12.670 ( 15.614 8.208 0.000) 17.640 13.283 ( 16.222 1.516 0.000) 16.293 13.955 ( 4.941 1.493 0.000) 5.161 14.048 ( -6.269 9.248 0.000) 11.173 14.113 ( -0.743 10.832 0.000) 10.858 14.411 ( 6.804 -0.220 0.000) 6.807 14.890 ( 26.273 15.025 0.000) 30.266 14.987 ( 27.239 12.487 0.000) 29.964 15.240 ( -2.589 18.244 0.000) 18.427 15.309 ( -0.641 19.661 0.000) 19.672 16.140 ( 20.451 4.950 0.000) 21.042 16.541 ( 13.180 -1.010 0.000) 13.218 16.830 ( 15.851 1.244 0.000) 15.900 17.078 ( 10.299 -2.919 0.000) 10.705 19.042 ( 5.317 -8.013 0.000) 9.616 19.111 ( 5.823 -9.589 0.000) 11.219 20.592 ( 4.542 2.691 0.000) 5.279 20.768 ( -0.502 -3.530 0.000) 3.565 21.338 ( 1.244 -2.467 0.000) 2.763 21.474 ( -1.512 -6.202 0.000) 6.384 22.440 ( -2.654 -1.136 0.000) 2.887 22.445 ( -2.576 -0.924 0.000) 2.737 22.933 ( -8.235 -12.347 0.000) 14.841 23.008 ( -9.703 -13.090 0.000) 16.294 23.349 ( -4.381 -5.708 0.000) 7.195 23.370 ( -4.662 -6.388 0.000) 7.908 23.800 ( -3.017 -0.138 0.000) 3.020 23.801 ( -2.841 0.140 0.000) 2.844 24.748 ( -10.822 -10.647 0.000) 15.181 24.766 ( -11.128 -10.894 0.000) 15.572 ======================= Grid point 44 (24/74) ======================= q-point: ( 0.39 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.686 ( 6.012 -3.149 0.000) 6.787 5.813 ( -7.433 24.909 0.000) 25.994 6.069 ( -10.368 30.559 0.000) 32.270 6.402 ( 4.419 -2.685 0.000) 5.171 6.667 ( 2.130 6.859 0.000) 7.182 6.758 ( 1.263 3.968 0.000) 4.164 7.117 ( 3.214 9.661 0.000) 10.181 7.589 ( 6.068 9.101 0.000) 10.938 7.604 ( 10.381 11.483 0.000) 15.480 7.963 ( 1.694 6.142 0.000) 6.371 8.290 ( -0.517 22.854 0.000) 22.859 8.390 ( -0.630 14.249 0.000) 14.263 8.787 ( -3.325 16.801 0.000) 17.127 8.850 ( -5.833 11.209 0.000) 12.636 9.249 ( -6.372 21.935 0.000) 22.842 9.360 ( -7.987 27.313 0.000) 28.457 10.015 ( -10.028 -2.311 0.000) 10.291 10.491 ( -0.985 6.404 0.000) 6.480 10.986 ( -7.104 -0.401 0.000) 7.116 11.106 ( -11.019 31.668 0.000) 33.530 11.259 ( -8.996 27.070 0.000) 28.526 11.433 ( -4.915 -5.207 0.000) 7.160 12.418 ( 20.570 6.662 0.000) 21.622 12.760 ( 8.158 1.364 0.000) 8.271 12.893 ( 9.220 2.963 0.000) 9.684 13.465 ( 9.495 -5.955 0.000) 11.208 13.990 ( -2.459 4.682 0.000) 5.288 14.032 ( -6.835 10.470 0.000) 12.503 14.228 ( 3.914 4.946 0.000) 6.307 14.507 ( 7.246 -3.086 0.000) 7.875 15.252 ( 2.021 10.807 0.000) 10.994 15.340 ( -6.302 17.778 0.000) 18.862 15.458 ( 10.862 13.742 0.000) 17.516 15.637 ( 17.239 9.372 0.000) 19.621 16.392 ( 10.153 -4.260 0.000) 11.010 16.700 ( 12.627 -5.735 0.000) 13.868 17.102 ( 12.910 -2.258 0.000) 13.106 17.196 ( 8.159 -6.105 0.000) 10.191 19.034 ( 5.857 -11.942 0.000) 13.301 19.094 ( 5.679 -12.733 0.000) 13.942 20.696 ( 3.876 2.363 0.000) 4.540 20.760 ( 1.238 -0.849 0.000) 1.501 21.362 ( 3.827 -2.282 0.000) 4.456 21.437 ( 2.624 -4.182 0.000) 4.937 22.368 ( -1.695 -5.060 0.000) 5.337 22.378 ( -1.627 -4.659 0.000) 4.935 22.727 ( -3.244 -8.970 0.000) 9.539 22.766 ( -4.961 -9.904 0.000) 11.077 23.265 ( -2.002 -0.970 0.000) 2.224 23.278 ( -2.042 -1.352 0.000) 2.449 23.724 ( -2.315 -4.770 0.000) 5.302 23.730 ( -2.354 -4.582 0.000) 5.151 24.534 ( -7.125 -1.686 0.000) 7.322 24.544 ( -7.409 -1.930 0.000) 7.656 ======================= Grid point 45 (25/74) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.721 ( 3.033 -5.254 0.000) 6.066 5.870 ( -11.997 20.779 0.000) 23.993 6.131 ( -15.759 27.296 0.000) 31.519 6.422 ( 3.146 -5.449 0.000) 6.292 6.719 ( -2.328 4.032 0.000) 4.656 6.787 ( -1.856 3.215 0.000) 3.712 7.192 ( -3.161 5.474 0.000) 6.321 7.688 ( -2.827 4.896 0.000) 5.653 7.800 ( -3.016 5.224 0.000) 6.032 7.947 ( -1.817 3.148 0.000) 3.635 8.397 ( -12.464 21.589 0.000) 24.929 8.465 ( -5.221 9.044 0.000) 10.443 8.849 ( -5.477 9.486 0.000) 10.954 8.860 ( -6.778 11.740 0.000) 13.556 9.311 ( -11.843 20.512 0.000) 23.685 9.426 ( -13.946 24.154 0.000) 27.891 9.908 ( -2.429 4.208 0.000) 4.859 10.512 ( -3.010 5.213 0.000) 6.019 10.895 ( -0.131 0.226 0.000) 0.261 11.177 ( -17.989 31.158 0.000) 35.979 11.315 ( -15.363 26.609 0.000) 30.726 11.373 ( 0.239 -0.414 0.000) 0.478 12.690 ( 0.071 -0.124 0.000) 0.143 12.740 ( 4.616 -7.995 0.000) 9.232 13.005 ( 0.549 -0.951 0.000) 1.098 13.519 ( 5.902 -10.223 0.000) 11.804 13.990 ( -3.798 6.578 0.000) 7.596 14.025 ( -6.475 11.214 0.000) 12.949 14.293 ( 0.117 -0.202 0.000) 0.233 14.559 ( 3.523 -6.102 0.000) 7.046 15.307 ( -6.171 10.688 0.000) 12.342 15.372 ( -9.575 16.585 0.000) 19.150 15.625 ( -3.041 5.267 0.000) 6.082 15.838 ( 2.522 -4.369 0.000) 5.045 16.453 ( 4.651 -8.056 0.000) 9.302 16.801 ( 6.183 -10.709 0.000) 12.365 17.190 ( 4.404 -7.627 0.000) 8.807 17.237 ( 5.038 -8.726 0.000) 10.075 19.023 ( 7.354 -12.740 0.000) 14.710 19.076 ( 7.365 -12.758 0.000) 14.731 20.741 ( -0.048 0.082 0.000) 0.095 20.772 ( 0.357 -0.618 0.000) 0.713 21.391 ( 2.255 -3.906 0.000) 4.510 21.448 ( 2.596 -4.497 0.000) 5.193 22.321 ( 2.702 -4.680 0.000) 5.403 22.333 ( 2.523 -4.370 0.000) 5.046 22.660 ( 3.114 -5.393 0.000) 6.227 22.668 ( 2.835 -4.910 0.000) 5.670 23.247 ( -0.702 1.216 0.000) 1.404 23.258 ( -0.626 1.084 0.000) 1.251 23.673 ( 2.527 -4.376 0.000) 5.053 23.677 ( 2.495 -4.321 0.000) 4.989 24.469 ( -2.436 4.219 0.000) 4.872 24.474 ( -2.472 4.282 0.000) 4.944 ======================= Grid point 59 (26/74) ======================= 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 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.879 ( 20.487 35.485 0.000) 40.974 5.125 ( 9.639 16.696 0.000) 19.279 5.392 ( 16.534 28.637 0.000) 33.068 5.449 ( 16.550 28.665 0.000) 33.099 5.608 ( 14.755 25.556 0.000) 29.510 5.827 ( 12.677 21.958 0.000) 25.355 6.116 ( 21.515 37.265 0.000) 43.030 6.278 ( 11.722 20.304 0.000) 23.445 6.756 ( 6.905 11.960 0.000) 13.810 7.149 ( 6.127 10.612 0.000) 12.254 7.388 ( 7.824 13.552 0.000) 15.649 7.667 ( 12.825 22.213 0.000) 25.649 8.301 ( 11.024 19.094 0.000) 22.048 8.647 ( 9.310 16.125 0.000) 18.620 8.737 ( 3.532 6.117 0.000) 7.064 9.093 ( 13.832 23.957 0.000) 27.663 9.373 ( 14.857 25.732 0.000) 29.713 9.992 ( 18.314 31.720 0.000) 36.627 10.063 ( 19.224 33.297 0.000) 38.448 10.181 ( 17.618 30.515 0.000) 35.236 10.677 ( 10.045 17.399 0.000) 20.090 10.871 ( 15.200 26.327 0.000) 30.400 10.969 ( 23.060 39.942 0.000) 46.121 11.513 ( 0.575 0.997 0.000) 1.151 12.044 ( 11.867 20.554 0.000) 23.733 12.380 ( 13.265 22.976 0.000) 26.531 12.728 ( 22.024 38.146 0.000) 44.048 13.217 ( 0.824 1.428 0.000) 1.649 13.944 ( 6.659 11.533 0.000) 13.318 14.135 ( 1.614 2.796 0.000) 3.228 14.206 ( 4.149 7.187 0.000) 8.298 14.609 ( 4.368 7.565 0.000) 8.736 14.869 ( 11.031 19.107 0.000) 22.063 14.878 ( 8.552 14.813 0.000) 17.105 15.254 ( -0.294 -0.509 0.000) 0.588 15.698 ( 5.429 9.403 0.000) 10.857 16.644 ( -1.474 -2.554 0.000) 2.949 16.754 ( 2.035 3.525 0.000) 4.071 18.728 ( 6.273 10.865 0.000) 12.546 18.904 ( 2.589 4.484 0.000) 5.178 20.508 ( -1.205 -2.087 0.000) 2.410 21.109 ( -8.257 -14.302 0.000) 16.515 21.478 ( -3.850 -6.668 0.000) 7.700 21.837 ( -6.856 -11.875 0.000) 13.712 22.483 ( 1.534 2.657 0.000) 3.068 22.484 ( 1.537 2.663 0.000) 3.075 23.538 ( -7.585 -13.138 0.000) 15.171 23.612 ( -5.788 -10.025 0.000) 11.575 23.809 ( -2.358 -4.083 0.000) 4.715 23.825 ( -8.457 -14.648 0.000) 16.914 23.853 ( -1.100 -1.905 0.000) 2.200 23.867 ( -5.756 -9.970 0.000) 11.513 25.461 ( -10.019 -17.354 0.000) 20.039 25.495 ( -10.333 -17.898 0.000) 20.667 ======================= Grid point 60 (27/74) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.324 ( 5.989 5.043 0.000) 7.829 5.468 ( 11.972 28.219 0.000) 30.654 5.908 ( 4.703 34.382 0.000) 34.702 5.972 ( 12.333 23.763 0.000) 26.773 6.128 ( 18.479 16.899 0.000) 25.041 6.213 ( 14.162 18.593 0.000) 23.372 6.654 ( 8.024 22.971 0.000) 24.332 6.859 ( 22.225 34.220 0.000) 40.804 6.985 ( 8.973 8.768 0.000) 12.545 7.206 ( 1.724 0.329 0.000) 1.755 7.767 ( 10.615 22.611 0.000) 24.979 8.051 ( 8.816 19.002 0.000) 20.948 8.680 ( 7.968 23.795 0.000) 25.094 8.850 ( 2.858 8.577 0.000) 9.040 9.021 ( 9.359 25.289 0.000) 26.965 9.269 ( -0.792 9.228 0.000) 9.262 10.044 ( 20.709 24.593 0.000) 32.151 10.421 ( 4.993 13.629 0.000) 14.515 10.650 ( 8.135 33.791 0.000) 34.757 10.777 ( 14.213 35.325 0.000) 38.077 10.945 ( 15.335 7.106 0.000) 16.901 11.352 ( 17.942 20.329 0.000) 27.114 11.506 ( 0.142 9.779 0.000) 9.780 11.817 ( 25.189 19.942 0.000) 32.127 12.163 ( -0.854 -2.785 0.000) 2.913 12.717 ( 12.583 12.143 0.000) 17.487 13.513 ( 16.884 20.487 0.000) 26.548 13.614 ( 31.647 37.856 0.000) 49.342 14.096 ( 3.812 5.939 0.000) 7.057 14.188 ( -0.561 5.994 0.000) 6.020 14.344 ( 4.232 6.644 0.000) 7.878 14.614 ( -0.946 -5.705 0.000) 5.783 15.183 ( 6.876 19.175 0.000) 20.370 15.335 ( 2.855 12.648 0.000) 12.966 15.369 ( 19.729 20.328 0.000) 28.328 15.976 ( 13.206 14.299 0.000) 19.465 16.601 ( 0.399 -4.516 0.000) 4.533 16.819 ( 3.778 -0.072 0.000) 3.779 18.877 ( 4.283 0.959 0.000) 4.389 18.949 ( 2.237 -3.471 0.000) 4.130 20.497 ( 0.923 0.566 0.000) 1.083 20.871 ( -5.607 -9.681 0.000) 11.187 21.369 ( -2.535 -4.595 0.000) 5.248 21.617 ( -6.096 -10.241 0.000) 11.919 22.515 ( -0.668 1.565 0.000) 1.701 22.516 ( -0.590 1.560 0.000) 1.668 23.247 ( -9.507 -15.297 0.000) 18.011 23.353 ( -9.552 -15.104 0.000) 17.871 23.538 ( -7.109 -11.676 0.000) 13.670 23.569 ( -7.079 -11.813 0.000) 13.772 23.867 ( -0.258 2.291 0.000) 2.305 23.872 ( -0.428 2.012 0.000) 2.056 25.111 ( -10.627 -17.246 0.000) 20.257 25.137 ( -10.837 -17.485 0.000) 20.571 ======================= Grid point 61 (28/74) ======================= q-point: ( 0.28 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.465 ( 6.286 2.763 0.000) 6.866 5.827 ( 5.467 15.950 0.000) 16.861 6.230 ( 1.092 22.118 0.000) 22.145 6.276 ( 3.844 10.618 0.000) 11.292 6.478 ( 9.706 13.847 0.000) 16.910 6.667 ( 8.623 23.658 0.000) 25.180 6.978 ( 3.492 22.073 0.000) 22.348 7.242 ( 10.886 10.275 0.000) 14.969 7.302 ( 7.652 14.288 0.000) 16.208 7.543 ( 19.723 23.752 0.000) 30.873 8.136 ( 7.353 21.773 0.000) 22.981 8.334 ( 4.572 15.626 0.000) 16.281 8.921 ( -0.929 14.381 0.000) 14.411 9.027 ( -0.893 19.224 0.000) 19.245 9.359 ( -0.022 19.598 0.000) 19.598 9.443 ( 4.378 29.178 0.000) 29.504 10.357 ( -0.239 -0.955 0.000) 0.984 10.470 ( -3.296 12.558 0.000) 12.984 11.083 ( 6.400 21.546 0.000) 22.476 11.274 ( 4.909 23.332 0.000) 23.842 11.336 ( 6.699 34.757 0.000) 35.397 11.580 ( 5.490 2.119 0.000) 5.885 11.730 ( 5.204 -2.859 0.000) 5.938 12.095 ( 20.350 11.368 0.000) 23.310 12.511 ( 16.473 16.803 0.000) 23.531 13.045 ( 14.320 5.454 0.000) 15.323 13.855 ( 6.798 2.884 0.000) 7.384 14.197 ( -2.303 4.797 0.000) 5.321 14.259 ( 0.753 12.544 0.000) 12.567 14.326 ( 9.845 11.421 0.000) 15.079 14.625 ( 21.484 17.270 0.000) 27.565 14.687 ( 18.597 10.298 0.000) 21.258 15.452 ( 1.461 20.995 0.000) 21.045 15.532 ( 0.614 20.847 0.000) 20.856 15.858 ( 19.270 8.827 0.000) 21.195 16.323 ( 12.350 3.312 0.000) 12.786 16.611 ( 8.425 -2.478 0.000) 8.782 16.891 ( 7.015 -3.411 0.000) 7.800 18.886 ( 2.067 -9.250 0.000) 9.478 18.925 ( 3.348 -10.738 0.000) 11.247 20.551 ( 3.379 2.802 0.000) 4.390 20.743 ( -1.339 -4.371 0.000) 4.572 21.304 ( -0.578 -3.308 0.000) 3.358 21.445 ( -3.371 -7.942 0.000) 8.627 22.477 ( -3.441 -2.566 0.000) 4.293 22.481 ( -3.247 -2.518 0.000) 4.109 22.943 ( -8.685 -14.564 0.000) 16.957 23.033 ( -9.805 -15.417 0.000) 18.270 23.363 ( -3.767 -5.568 0.000) 6.723 23.383 ( -4.135 -6.253 0.000) 7.497 23.846 ( -3.294 -1.963 0.000) 3.835 23.847 ( -3.097 -1.621 0.000) 3.496 24.801 ( -8.418 -11.549 0.000) 14.292 24.821 ( -8.707 -11.873 0.000) 14.723 ======================= Grid point 62 (29/74) ======================= 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 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.584 ( 4.914 1.672 0.000) 5.190 5.988 ( 2.174 5.394 0.000) 5.816 6.340 ( 1.631 -1.442 0.000) 2.177 6.404 ( -0.113 10.637 0.000) 10.638 6.730 ( 2.085 16.691 0.000) 16.820 6.948 ( -2.906 25.762 0.000) 25.925 7.191 ( 0.630 15.522 0.000) 15.535 7.560 ( 10.783 15.905 0.000) 19.216 7.626 ( 6.440 21.064 0.000) 22.027 7.978 ( 8.070 13.691 0.000) 15.892 8.442 ( 4.399 19.116 0.000) 19.616 8.514 ( 2.256 12.151 0.000) 12.359 9.010 ( -2.497 9.999 0.000) 10.306 9.123 ( -8.685 19.949 0.000) 21.758 9.554 ( -2.385 22.660 0.000) 22.786 9.757 ( -4.105 31.630 0.000) 31.896 10.236 ( -12.106 6.844 0.000) 13.907 10.568 ( 0.836 8.237 0.000) 8.279 11.125 ( -9.870 1.373 0.000) 9.965 11.430 ( -3.807 -4.334 0.000) 5.769 11.609 ( -4.146 33.902 0.000) 34.155 11.703 ( -4.409 35.979 0.000) 36.248 12.098 ( 23.259 6.330 0.000) 24.105 12.569 ( 18.625 6.612 0.000) 19.764 12.803 ( 6.132 6.505 0.000) 8.940 13.252 ( 8.890 -4.333 0.000) 9.889 13.930 ( 5.347 -3.860 0.000) 6.595 14.179 ( -0.836 -0.185 0.000) 0.856 14.360 ( -3.316 14.297 0.000) 14.677 14.434 ( 0.109 7.240 0.000) 7.241 15.136 ( 18.538 11.190 0.000) 21.653 15.277 ( 23.936 15.168 0.000) 28.338 15.634 ( -4.137 20.740 0.000) 21.149 15.740 ( -2.463 24.128 0.000) 24.253 16.163 ( 12.401 -1.341 0.000) 12.474 16.429 ( 9.610 -9.183 0.000) 13.293 16.837 ( 14.917 -1.606 0.000) 15.003 16.981 ( 8.787 -6.878 0.000) 11.159 18.805 ( 3.984 -16.132 0.000) 16.617 18.854 ( 4.647 -16.714 0.000) 17.348 20.652 ( 4.413 3.289 0.000) 5.504 20.727 ( 1.557 -0.702 0.000) 1.708 21.285 ( 1.903 -2.897 0.000) 3.466 21.357 ( 0.811 -5.642 0.000) 5.700 22.360 ( -4.123 -7.017 0.000) 8.139 22.369 ( -3.834 -6.807 0.000) 7.812 22.688 ( -5.113 -12.702 0.000) 13.692 22.746 ( -6.631 -13.727 0.000) 15.245 23.295 ( -1.700 0.252 0.000) 1.718 23.305 ( -1.850 -0.174 0.000) 1.859 23.724 ( -4.628 -7.666 0.000) 8.955 23.731 ( -4.570 -7.456 0.000) 8.745 24.622 ( -5.171 -2.024 0.000) 5.553 24.633 ( -5.430 -2.358 0.000) 5.920 ======================= Grid point 63 (30/74) ======================= q-point: ( 0.39 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.654 ( 1.919 0.476 0.000) 1.977 6.034 ( 1.138 -0.361 0.000) 1.194 6.338 ( 2.367 -4.555 0.000) 5.133 6.466 ( -0.756 4.088 0.000) 4.158 6.863 ( -5.523 16.444 0.000) 17.347 7.083 ( -10.459 25.161 0.000) 27.248 7.308 ( -3.392 12.588 0.000) 13.037 7.847 ( -2.221 17.589 0.000) 17.729 7.867 ( 4.434 15.526 0.000) 16.147 8.072 ( -6.128 5.542 0.000) 8.262 8.563 ( 0.254 3.655 0.000) 3.664 8.724 ( -0.930 18.656 0.000) 18.679 9.032 ( -4.646 7.969 0.000) 9.224 9.145 ( -10.130 17.363 0.000) 20.102 9.708 ( -7.073 24.417 0.000) 25.421 9.892 ( -12.462 24.260 0.000) 27.274 10.133 ( -11.945 15.423 0.000) 19.508 10.648 ( -3.144 10.698 0.000) 11.151 10.955 ( -7.700 1.037 0.000) 7.770 11.370 ( -1.162 -0.056 0.000) 1.164 11.807 ( -14.561 36.304 0.000) 39.116 11.888 ( -14.522 34.694 0.000) 37.611 12.471 ( 16.836 -2.315 0.000) 16.994 12.711 ( -0.838 -3.864 0.000) 3.953 12.965 ( 5.745 3.433 0.000) 6.692 13.292 ( 6.620 -11.330 0.000) 13.122 13.974 ( 4.899 -5.679 0.000) 7.500 14.175 ( 0.290 -0.261 0.000) 0.390 14.425 ( -5.987 14.278 0.000) 15.483 14.497 ( -1.241 6.337 0.000) 6.457 15.392 ( 3.835 4.075 0.000) 5.596 15.683 ( 9.603 6.590 0.000) 11.647 15.717 ( -6.010 15.689 0.000) 16.801 15.879 ( -8.592 20.568 0.000) 22.290 16.281 ( 6.317 -4.657 0.000) 7.848 16.529 ( 11.938 -11.810 0.000) 16.793 16.996 ( 9.232 -8.354 0.000) 12.451 17.031 ( 7.267 -10.464 0.000) 12.741 18.733 ( 8.145 -18.581 0.000) 20.288 18.783 ( 8.368 -18.894 0.000) 20.664 20.735 ( 1.713 1.463 0.000) 2.253 20.755 ( 1.435 0.280 0.000) 1.462 21.302 ( 3.271 -3.721 0.000) 4.954 21.348 ( 3.283 -4.830 0.000) 5.840 22.240 ( -0.407 -7.135 0.000) 7.147 22.256 ( -0.315 -6.983 0.000) 6.990 22.544 ( 1.349 -9.631 0.000) 9.725 22.567 ( 0.020 -10.342 0.000) 10.342 23.290 ( -1.409 3.065 0.000) 3.373 23.297 ( -1.265 2.780 0.000) 3.055 23.593 ( -0.402 -7.652 0.000) 7.663 23.598 ( -0.626 -7.861 0.000) 7.886 24.563 ( -3.467 3.666 0.000) 5.046 24.570 ( -3.544 3.549 0.000) 5.015 ======================= Grid point 78 (31/74) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.426 ( 3.323 5.756 0.000) 6.646 5.844 ( 6.651 11.521 0.000) 13.303 6.275 ( 4.163 7.210 0.000) 8.326 6.326 ( 4.268 7.393 0.000) 8.536 6.470 ( 11.960 20.715 0.000) 23.920 6.734 ( 16.968 29.390 0.000) 33.936 7.116 ( 12.263 21.240 0.000) 24.526 7.160 ( 6.553 11.350 0.000) 13.106 7.320 ( 8.695 15.060 0.000) 17.390 7.487 ( 16.694 28.914 0.000) 33.387 8.182 ( 11.402 19.748 0.000) 22.803 8.372 ( 7.826 13.555 0.000) 15.652 8.990 ( 3.697 6.404 0.000) 7.394 9.150 ( 11.628 20.140 0.000) 23.256 9.452 ( 6.690 11.588 0.000) 13.380 9.567 ( 16.698 28.922 0.000) 33.396 10.317 ( 3.055 5.291 0.000) 6.109 10.621 ( 3.103 5.375 0.000) 6.206 11.091 ( 8.289 14.357 0.000) 16.578 11.332 ( 18.219 31.555 0.000) 36.437 11.448 ( 18.043 31.251 0.000) 36.086 11.620 ( 4.277 7.408 0.000) 8.554 11.668 ( -2.319 -4.017 0.000) 4.639 11.936 ( 7.966 13.797 0.000) 15.931 12.457 ( 13.190 22.846 0.000) 26.380 12.947 ( 6.205 10.747 0.000) 12.409 13.810 ( 3.418 5.920 0.000) 6.836 14.238 ( 3.158 5.470 0.000) 6.317 14.286 ( 9.478 16.417 0.000) 18.957 14.303 ( 8.580 14.861 0.000) 17.160 14.523 ( 8.541 14.793 0.000) 17.081 14.602 ( 7.500 12.991 0.000) 15.001 15.566 ( 11.227 19.445 0.000) 22.453 15.621 ( 8.846 15.321 0.000) 17.691 15.725 ( 9.277 16.069 0.000) 18.554 16.232 ( 5.107 8.846 0.000) 10.214 16.523 ( -0.657 -1.138 0.000) 1.314 16.809 ( -0.290 -0.503 0.000) 0.580 18.826 ( -3.505 -6.070 0.000) 7.010 18.829 ( -4.931 -8.540 0.000) 9.862 20.536 ( 1.941 3.362 0.000) 3.883 20.733 ( -2.461 -4.263 0.000) 4.922 21.292 ( -1.838 -3.184 0.000) 3.676 21.435 ( -4.716 -8.168 0.000) 9.431 22.496 ( -2.361 -4.089 0.000) 4.722 22.496 ( -2.279 -3.947 0.000) 4.558 22.945 ( -8.855 -15.338 0.000) 17.711 23.040 ( -9.488 -16.433 0.000) 18.975 23.368 ( -3.176 -5.500 0.000) 6.351 23.388 ( -3.556 -6.159 0.000) 7.112 23.865 ( -2.063 -3.573 0.000) 4.126 23.866 ( -1.833 -3.175 0.000) 3.666 24.815 ( -6.932 -12.007 0.000) 13.865 24.835 ( -7.160 -12.402 0.000) 14.321 ======================= Grid point 79 (32/74) ======================= q-point: ( 0.28 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.545 ( 4.060 5.416 0.000) 6.769 5.973 ( 2.087 1.874 0.000) 2.805 6.302 ( -0.570 -3.261 0.000) 3.311 6.403 ( 1.784 -0.160 0.000) 1.791 6.827 ( 7.692 17.573 0.000) 19.182 7.126 ( 4.550 14.126 0.000) 14.841 7.417 ( 2.700 27.125 0.000) 27.259 7.536 ( 13.414 19.634 0.000) 23.779 7.743 ( 10.834 28.077 0.000) 30.094 7.969 ( 11.585 19.270 0.000) 22.484 8.529 ( 6.352 16.689 0.000) 17.857 8.559 ( 3.666 7.794 0.000) 8.614 9.089 ( 1.208 5.322 0.000) 5.458 9.386 ( -0.656 13.683 0.000) 13.699 9.739 ( 5.508 19.863 0.000) 20.612 10.070 ( 5.635 30.996 0.000) 31.504 10.433 ( 3.264 11.697 0.000) 12.144 10.649 ( -3.100 5.690 0.000) 6.479 11.288 ( -1.333 5.866 0.000) 6.015 11.438 ( -6.800 -8.784 0.000) 11.108 11.817 ( 13.801 10.072 0.000) 17.085 11.900 ( 11.149 31.264 0.000) 33.192 12.033 ( 8.488 34.132 0.000) 35.171 12.325 ( 16.662 10.011 0.000) 19.438 12.806 ( 6.031 13.105 0.000) 14.426 13.108 ( 5.447 1.032 0.000) 5.543 13.827 ( 1.137 -4.191 0.000) 4.343 14.139 ( -2.763 -8.102 0.000) 8.561 14.515 ( 2.075 13.248 0.000) 13.409 14.538 ( 3.298 12.390 0.000) 12.822 14.954 ( 17.720 18.703 0.000) 25.764 15.095 ( 18.716 23.143 0.000) 29.763 15.817 ( 1.218 9.170 0.000) 9.251 15.954 ( 8.328 21.155 0.000) 22.735 16.028 ( 8.022 16.001 0.000) 17.899 16.240 ( 1.094 -9.366 0.000) 9.429 16.628 ( 8.442 2.192 0.000) 8.722 16.810 ( 3.305 -4.691 0.000) 5.738 18.630 ( -3.397 -16.453 0.000) 16.800 18.661 ( -2.491 -16.180 0.000) 16.371 20.620 ( 3.402 4.084 0.000) 5.315 20.701 ( 0.799 -0.167 0.000) 0.817 21.246 ( -0.375 -2.559 0.000) 2.586 21.309 ( -1.878 -5.921 0.000) 6.212 22.364 ( -5.114 -8.438 0.000) 9.867 22.369 ( -4.811 -8.227 0.000) 9.530 22.661 ( -7.308 -14.195 0.000) 15.966 22.730 ( -8.375 -15.405 0.000) 17.535 23.319 ( -0.465 0.571 0.000) 0.736 23.329 ( -0.682 0.268 0.000) 0.733 23.727 ( -5.665 -9.629 0.000) 11.172 23.735 ( -5.571 -9.418 0.000) 10.942 24.667 ( -2.699 -2.393 0.000) 3.607 24.679 ( -2.950 -2.799 0.000) 4.067 ======================= Grid point 80 (33/74) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.654 ( 2.075 5.455 0.000) 5.836 5.983 ( 0.862 -3.216 0.000) 3.330 6.257 ( 0.905 -5.155 0.000) 5.234 6.405 ( 2.478 -5.670 0.000) 6.188 7.061 ( 1.486 13.889 0.000) 13.968 7.272 ( 1.493 7.694 0.000) 7.838 7.689 ( -5.530 30.713 0.000) 31.207 7.911 ( 7.498 19.772 0.000) 21.146 8.118 ( 0.387 24.285 0.000) 24.288 8.226 ( -0.195 14.191 0.000) 14.193 8.568 ( -0.643 -1.798 0.000) 1.909 8.818 ( 6.397 13.593 0.000) 15.023 9.131 ( -0.948 3.057 0.000) 3.200 9.461 ( -6.335 14.200 0.000) 15.549 9.985 ( 0.740 21.208 0.000) 21.221 10.298 ( -8.646 20.175 0.000) 21.950 10.523 ( -10.764 19.411 0.000) 22.196 10.765 ( 3.845 12.669 0.000) 13.240 11.178 ( -11.734 6.909 0.000) 13.617 11.395 ( 0.622 3.021 0.000) 3.085 12.152 ( 16.856 0.802 0.000) 16.875 12.296 ( -1.189 31.653 0.000) 31.675 12.403 ( -3.949 32.817 0.000) 33.054 12.608 ( 9.937 -1.421 0.000) 10.039 12.936 ( 0.793 6.564 0.000) 6.612 13.138 ( 1.353 -6.582 0.000) 6.720 13.816 ( 4.351 -7.409 0.000) 8.593 14.053 ( 3.122 -9.929 0.000) 10.409 14.660 ( -2.271 16.282 0.000) 16.439 14.684 ( -2.654 15.792 0.000) 16.014 15.338 ( 8.860 9.352 0.000) 12.882 15.539 ( 12.598 11.307 0.000) 16.928 15.849 ( 0.885 -3.974 0.000) 4.072 16.168 ( 7.977 -6.788 0.000) 10.474 16.243 ( -1.695 24.168 0.000) 24.227 16.330 ( 1.311 16.576 0.000) 16.628 16.755 ( 8.620 -6.324 0.000) 10.691 16.818 ( 5.528 -9.406 0.000) 10.910 18.425 ( 2.847 -22.536 0.000) 22.715 18.466 ( 3.287 -22.835 0.000) 23.070 20.713 ( 3.004 2.832 0.000) 4.129 20.734 ( 1.768 1.104 0.000) 2.085 21.228 ( 1.276 -2.828 0.000) 3.103 21.259 ( 1.636 -4.313 0.000) 4.612 22.198 ( -3.516 -8.476 0.000) 9.176 22.211 ( -3.233 -8.344 0.000) 8.948 22.445 ( -2.439 -11.847 0.000) 12.096 22.482 ( -3.743 -12.929 0.000) 13.460 23.337 ( -0.153 3.179 0.000) 3.182 23.342 ( -0.365 3.095 0.000) 3.117 23.543 ( -3.556 -9.493 0.000) 10.138 23.549 ( -3.742 -9.770 0.000) 10.462 24.641 ( -1.682 2.802 0.000) 3.269 24.647 ( -1.781 2.595 0.000) 3.148 ======================= Grid point 81 (34/74) ======================= q-point: ( 0.39 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.702 ( -2.383 4.127 0.000) 4.766 5.969 ( 2.357 -4.083 0.000) 4.714 6.240 ( 2.722 -4.716 0.000) 5.445 6.395 ( 4.189 -7.257 0.000) 8.379 7.141 ( -5.747 9.954 0.000) 11.494 7.326 ( -2.510 4.346 0.000) 5.019 7.796 ( -16.486 28.555 0.000) 32.973 8.143 ( -4.168 7.219 0.000) 8.336 8.166 ( -8.200 14.203 0.000) 16.400 8.287 ( -10.817 18.736 0.000) 21.634 8.555 ( 0.868 -1.503 0.000) 1.735 8.959 ( -2.616 4.532 0.000) 5.233 9.133 ( -1.175 2.036 0.000) 2.351 9.465 ( -8.936 15.478 0.000) 17.872 10.149 ( -10.392 17.999 0.000) 20.784 10.251 ( -8.784 15.214 0.000) 17.567 10.534 ( -12.165 21.070 0.000) 24.329 10.859 ( -5.054 8.753 0.000) 10.108 11.118 ( -9.310 16.125 0.000) 18.620 11.428 ( -3.447 5.970 0.000) 6.893 12.319 ( 6.331 -10.966 0.000) 12.662 12.454 ( -15.606 27.031 0.000) 31.213 12.530 ( -16.494 28.568 0.000) 32.987 12.645 ( 2.141 -3.709 0.000) 4.282 13.019 ( -1.209 2.094 0.000) 2.418 13.070 ( 5.192 -8.992 0.000) 10.383 13.819 ( 5.243 -9.082 0.000) 10.486 14.035 ( 6.079 -10.528 0.000) 12.157 14.731 ( -9.235 15.996 0.000) 18.470 14.738 ( -8.646 14.975 0.000) 17.291 15.442 ( -0.981 1.699 0.000) 1.962 15.703 ( 0.418 -0.724 0.000) 0.836 15.830 ( 3.923 -6.796 0.000) 7.847 16.240 ( 7.964 -13.794 0.000) 15.928 16.349 ( -12.466 21.591 0.000) 24.931 16.414 ( -10.705 18.541 0.000) 21.410 16.806 ( 5.877 -10.179 0.000) 11.754 16.811 ( 5.969 -10.339 0.000) 11.938 18.331 ( 12.651 -21.913 0.000) 25.303 18.374 ( 12.913 -22.367 0.000) 25.827 20.753 ( -0.282 0.488 0.000) 0.563 20.761 ( -0.026 0.044 0.000) 0.051 21.228 ( 2.010 -3.481 0.000) 4.020 21.257 ( 2.454 -4.251 0.000) 4.908 22.120 ( 2.738 -4.742 0.000) 5.476 22.136 ( 2.793 -4.838 0.000) 5.586 22.366 ( 4.681 -8.107 0.000) 9.361 22.381 ( 4.713 -8.163 0.000) 9.426 23.358 ( -1.842 3.190 0.000) 3.684 23.359 ( -1.664 2.882 0.000) 3.328 23.459 ( 3.291 -5.701 0.000) 6.583 23.460 ( 3.123 -5.409 0.000) 6.245 24.643 ( -2.219 3.843 0.000) 4.437 24.647 ( -2.164 3.748 0.000) 4.328 ======================= Grid point 98 (35/74) ======================= q-point: ( 0.28 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.667 ( 3.885 6.729 0.000) 7.770 5.961 ( -1.272 -2.203 0.000) 2.544 6.223 ( -2.173 -3.763 0.000) 4.345 6.347 ( -2.644 -4.580 0.000) 5.289 7.109 ( 6.598 11.429 0.000) 13.197 7.293 ( 3.230 5.594 0.000) 6.459 7.856 ( 10.618 18.391 0.000) 21.236 7.995 ( 12.315 21.330 0.000) 24.630 8.256 ( 13.155 22.784 0.000) 26.309 8.292 ( 8.234 14.261 0.000) 16.467 8.563 ( -2.366 -4.098 0.000) 4.732 8.823 ( 6.135 10.625 0.000) 12.269 9.149 ( 0.530 0.918 0.000) 1.060 9.587 ( 4.672 8.092 0.000) 9.344 10.085 ( 9.065 15.700 0.000) 18.129 10.497 ( 4.772 8.265 0.000) 9.544 10.749 ( 4.183 7.245 0.000) 8.365 10.771 ( 10.691 18.517 0.000) 21.382 11.369 ( 2.284 3.956 0.000) 4.568 11.373 ( 1.779 3.082 0.000) 3.558 11.991 ( 4.689 8.121 0.000) 9.378 12.441 ( 9.816 17.001 0.000) 19.632 12.479 ( 6.301 10.914 0.000) 12.602 12.618 ( 14.258 24.696 0.000) 28.517 13.006 ( 4.085 7.076 0.000) 8.170 13.085 ( -1.866 -3.232 0.000) 3.732 13.733 ( -2.670 -4.624 0.000) 5.340 13.968 ( -4.695 -8.132 0.000) 9.390 14.768 ( 7.246 12.550 0.000) 14.492 14.792 ( 7.488 12.970 0.000) 14.976 15.306 ( 9.041 15.660 0.000) 18.083 15.496 ( 9.523 16.494 0.000) 19.046 15.798 ( -3.051 -5.284 0.000) 6.102 16.008 ( -6.131 -10.619 0.000) 12.262 16.392 ( 11.822 20.476 0.000) 23.643 16.463 ( 13.197 22.857 0.000) 26.393 16.651 ( 0.705 1.222 0.000) 1.411 16.710 ( -3.146 -5.449 0.000) 6.292 18.274 ( -11.079 -19.190 0.000) 22.159 18.309 ( -11.068 -19.170 0.000) 22.136 20.700 ( 2.194 3.800 0.000) 4.388 20.723 ( 1.123 1.945 0.000) 2.246 21.207 ( -0.841 -1.457 0.000) 1.682 21.220 ( -1.755 -3.040 0.000) 3.511 22.188 ( -4.952 -8.577 0.000) 9.904 22.199 ( -4.820 -8.349 0.000) 9.640 22.406 ( -6.507 -11.270 0.000) 13.014 22.449 ( -7.334 -12.703 0.000) 14.668 23.354 ( 1.269 2.197 0.000) 2.537 23.361 ( 1.273 2.205 0.000) 2.546 23.527 ( -5.403 -9.357 0.000) 10.805 23.533 ( -5.608 -9.714 0.000) 11.216 24.669 ( 0.880 1.524 0.000) 1.760 24.675 ( 0.750 1.298 0.000) 1.499 ======================= Grid point 99 (36/74) ======================= q-point: ( 0.33 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.784 ( 0.734 7.266 0.000) 7.303 5.914 ( -0.450 -3.094 0.000) 3.127 6.174 ( 0.341 -3.032 0.000) 3.051 6.261 ( 1.020 -8.104 0.000) 8.168 7.266 ( 0.554 7.683 0.000) 7.703 7.367 ( 0.869 2.496 0.000) 2.643 8.156 ( 3.022 17.081 0.000) 17.346 8.242 ( -0.192 9.860 0.000) 9.862 8.442 ( -3.866 -0.996 0.000) 3.992 8.485 ( -5.433 16.480 0.000) 17.352 8.628 ( 4.819 14.942 0.000) 15.699 8.946 ( 3.256 -0.349 0.000) 3.275 9.136 ( -0.533 -2.150 0.000) 2.215 9.698 ( -2.296 9.614 0.000) 9.884 10.345 ( 3.552 14.497 0.000) 14.926 10.503 ( -6.454 3.723 0.000) 7.451 10.853 ( -4.002 12.861 0.000) 13.469 10.993 ( -1.066 7.368 0.000) 7.445 11.434 ( -4.461 16.365 0.000) 16.962 11.544 ( 2.491 10.644 0.000) 10.931 12.116 ( 6.407 -2.965 0.000) 7.059 12.516 ( 3.812 -4.987 0.000) 6.277 12.765 ( 2.438 13.115 0.000) 13.340 12.957 ( -1.962 21.043 0.000) 21.134 12.985 ( -2.700 -4.545 0.000) 5.286 13.103 ( -1.540 7.287 0.000) 7.448 13.669 ( 1.829 -6.683 0.000) 6.929 13.858 ( 1.708 -8.612 0.000) 8.780 14.982 ( -0.059 16.193 0.000) 16.194 15.003 ( -1.560 16.068 0.000) 16.143 15.479 ( -0.562 3.832 0.000) 3.873 15.642 ( 3.796 -11.437 0.000) 12.051 15.725 ( -2.312 5.208 0.000) 5.698 15.931 ( 9.986 -11.509 0.000) 15.237 16.545 ( 1.644 -4.509 0.000) 4.799 16.607 ( 0.118 -7.667 0.000) 7.668 16.834 ( -0.888 27.178 0.000) 27.193 16.854 ( -0.193 25.833 0.000) 25.833 17.941 ( 1.511 -26.778 0.000) 26.821 17.975 ( 1.718 -27.185 0.000) 27.240 20.755 ( 0.993 1.383 0.000) 1.703 20.757 ( 0.775 1.036 0.000) 1.294 21.182 ( 0.138 -1.656 0.000) 1.662 21.194 ( 0.986 -2.302 0.000) 2.504 22.062 ( -1.352 -4.978 0.000) 5.159 22.075 ( -1.283 -5.128 0.000) 5.286 22.250 ( -0.505 -7.505 0.000) 7.522 22.267 ( -1.184 -8.437 0.000) 8.520 23.366 ( 0.018 -3.098 0.000) 3.098 23.373 ( -0.452 -3.685 0.000) 3.713 23.416 ( -0.977 0.109 0.000) 0.984 23.419 ( -0.849 -0.177 0.000) 0.867 24.697 ( -0.341 2.430 0.000) 2.454 24.700 ( -0.366 2.283 0.000) 2.312 ======================= Grid point 117 (37/74) ======================= 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 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.882 ( -0.118 -0.205 0.000) 0.236 5.882 ( 0.118 0.204 0.000) 0.236 6.144 ( -0.000 -0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 7.367 ( -1.304 -2.258 0.000) 2.608 7.367 ( 1.304 2.258 0.000) 2.607 8.351 ( -0.880 -1.523 0.000) 1.759 8.351 ( 0.879 1.523 0.000) 1.758 8.354 ( 0.000 0.001 0.000) 0.001 8.762 ( -2.048 -3.547 0.000) 4.096 8.762 ( 2.048 3.547 0.000) 4.096 8.904 ( -0.000 -0.000 0.000) 0.000 9.087 ( -0.000 -0.000 0.000) 0.000 9.797 ( -0.000 -0.000 0.000) 0.000 10.514 ( -1.467 -2.542 0.000) 2.935 10.514 ( 1.467 2.542 0.000) 2.935 11.019 ( -2.024 -3.505 0.000) 4.047 11.019 ( 2.024 3.505 0.000) 4.047 11.653 ( -1.470 -2.547 0.000) 2.940 11.653 ( 1.470 2.546 0.000) 2.940 12.081 ( -0.000 -0.000 0.000) 0.000 12.455 ( -0.000 -0.000 0.000) 0.000 12.890 ( -1.942 -3.363 0.000) 3.884 12.890 ( 1.942 3.363 0.000) 3.884 13.194 ( -1.178 -2.040 0.000) 2.356 13.194 ( 1.178 2.040 0.000) 2.356 13.596 ( -0.000 -0.000 0.000) 0.000 13.767 ( -0.000 -0.000 0.000) 0.000 15.217 ( -0.484 -0.838 0.000) 0.968 15.217 ( 0.484 0.838 0.000) 0.967 15.445 ( -0.000 -0.000 0.000) 0.000 15.465 ( 0.000 0.000 0.000) 0.000 15.804 ( -1.325 -2.294 0.000) 2.649 15.804 ( 1.324 2.294 0.000) 2.649 16.466 ( -0.000 -0.000 0.000) 0.000 16.514 ( -0.000 -0.000 0.000) 0.000 17.370 ( -5.262 -9.115 0.000) 10.525 17.370 ( 5.261 9.112 0.000) 10.521 17.441 ( -5.485 -9.500 0.000) 10.969 17.441 ( 5.486 9.501 0.000) 10.971 20.768 ( -0.000 -0.000 0.000) 0.000 20.768 ( -0.000 -0.000 0.000) 0.000 21.169 ( -0.158 -0.273 0.000) 0.316 21.169 ( 0.158 0.273 0.000) 0.315 22.014 ( -0.000 -0.000 0.000) 0.000 22.024 ( -0.000 -0.000 0.000) 0.000 22.177 ( -0.208 -0.360 0.000) 0.415 22.177 ( 0.208 0.360 0.000) 0.415 23.321 ( -0.050 -0.087 0.000) 0.101 23.321 ( 0.050 0.087 0.000) 0.100 23.433 ( -0.012 -0.021 0.000) 0.024 23.433 ( 0.012 0.021 0.000) 0.024 24.723 ( -0.033 -0.057 0.000) 0.066 24.723 ( 0.033 0.057 0.000) 0.066 ======================= Grid point 343 (38/74) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 37 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 0.000 -0.000 -55.525) 55.525 1.312 ( -0.000 0.000 -55.525) 55.525 1.312 ( -0.000 0.000 55.525) 55.525 1.312 ( 0.000 0.000 55.525) 55.525 2.560 ( 0.000 -0.000 -109.682) 109.682 2.560 ( 0.000 -0.000 109.682) 109.682 3.602 ( -0.000 0.000 -38.603) 38.603 3.602 ( 0.000 0.000 -38.603) 38.603 3.602 ( 0.000 0.000 38.603) 38.603 3.602 ( -0.000 -0.000 38.603) 38.603 5.484 ( -0.000 0.000 -15.089) 15.089 5.484 ( 0.000 0.000 -15.089) 15.089 5.484 ( -0.000 -0.000 15.089) 15.089 5.484 ( -0.000 0.000 15.089) 15.089 7.288 ( 0.000 0.000 -91.176) 91.176 7.288 ( 0.000 -0.000 91.176) 91.176 7.957 ( 0.000 0.000 -5.103) 5.103 7.957 ( 0.000 -0.000 -5.103) 5.103 7.957 ( 0.000 -0.000 5.103) 5.103 7.957 ( -0.000 0.000 5.103) 5.103 8.302 ( 0.000 0.000 -3.091) 3.091 8.302 ( 0.000 -0.000 -3.091) 3.091 8.302 ( 0.000 0.000 3.091) 3.091 8.302 ( 0.000 0.000 3.091) 3.091 10.494 ( 0.000 -0.000 -27.168) 27.168 10.494 ( -0.000 -0.000 27.168) 27.168 12.489 ( 0.000 -0.000 -26.086) 26.086 12.489 ( 0.000 0.000 26.086) 26.086 14.084 ( 0.000 0.000 -0.147) 0.147 14.084 ( -0.000 0.000 -0.147) 0.147 14.084 ( -0.000 -0.000 0.147) 0.147 14.084 ( -0.000 0.000 0.147) 0.147 14.239 ( -0.000 -0.000 -0.473) 0.473 14.239 ( 0.000 0.000 -0.473) 0.473 14.239 ( -0.000 0.000 0.473) 0.473 14.239 ( 0.000 0.000 0.473) 0.473 15.636 ( 0.000 0.000 -18.491) 18.491 15.636 ( 0.000 -0.000 18.491) 18.491 18.260 ( -0.000 0.000 -3.545) 3.545 18.260 ( -0.000 -0.000 3.545) 3.545 22.319 ( 0.000 0.000 -0.121) 0.121 22.319 ( 0.000 0.000 -0.121) 0.121 22.319 ( -0.000 0.000 0.121) 0.121 22.319 ( 0.000 0.000 0.121) 0.121 23.624 ( 0.000 -0.000 -0.007) 0.007 23.624 ( -0.000 -0.000 -0.007) 0.007 23.624 ( -0.000 0.000 0.007) 0.007 23.624 ( -0.000 0.000 0.007) 0.007 24.187 ( -0.000 0.000 -0.254) 0.254 24.187 ( -0.000 -0.000 0.254) 0.254 25.395 ( 0.000 -0.000 -4.748) 4.748 25.395 ( 0.000 -0.000 4.748) 4.748 25.926 ( -0.000 -0.000 -0.733) 0.733 25.926 ( 0.000 -0.000 0.733) 0.733 ======================= Grid point 345 (39/74) ======================= q-point: ( 0.06 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 25.228 14.565 -44.312) 53.030 1.632 ( 25.228 14.565 44.312) 53.030 1.791 ( 34.702 20.035 -42.251) 58.230 1.791 ( 34.702 20.035 42.251) 58.230 3.237 ( 54.632 31.542 -83.650) 104.770 3.237 ( 54.632 31.542 83.650) 104.770 3.744 ( 12.242 7.068 -37.036) 39.642 3.744 ( 12.242 7.068 37.036) 39.642 3.881 ( 21.996 12.699 -40.511) 47.815 3.881 ( 21.996 12.699 40.511) 47.815 5.583 ( 8.587 4.957 -14.947) 17.936 5.583 ( 8.587 4.957 14.947) 17.936 5.767 ( 20.930 12.084 -17.949) 30.104 5.767 ( 20.930 12.084 17.949) 30.104 7.281 ( 6.599 3.810 -64.795) 65.242 7.281 ( 6.599 3.810 64.795) 65.242 7.997 ( 3.120 1.802 -5.480) 6.559 7.997 ( 3.120 1.802 5.480) 6.559 8.187 ( 15.019 8.671 -15.566) 23.303 8.187 ( 15.019 8.671 15.566) 23.303 8.336 ( 3.436 1.984 -3.363) 5.201 8.336 ( 3.436 1.984 3.363) 5.201 8.551 ( 22.305 12.878 -2.675) 25.895 8.551 ( 22.305 12.878 2.675) 25.895 10.313 ( -5.598 -3.232 -28.892) 29.606 10.313 ( -5.598 -3.232 28.892) 29.606 12.277 ( -9.777 -5.644 -20.946) 23.795 12.277 ( -9.777 -5.644 20.946) 23.795 14.085 ( 0.004 0.003 -0.229) 0.229 14.085 ( 0.004 0.003 0.229) 0.229 14.254 ( 1.446 0.835 -0.511) 1.746 14.254 ( 1.446 0.835 0.511) 1.746 14.313 ( 5.639 3.256 -0.841) 6.566 14.313 ( 5.639 3.256 0.841) 6.566 15.024 ( 35.016 20.216 -37.864) 55.394 15.024 ( 35.016 20.216 37.864) 55.394 15.812 ( 26.341 15.208 -18.226) 35.459 15.812 ( 26.341 15.208 18.226) 35.459 18.022 ( -16.370 -9.451 -6.571) 20.011 18.022 ( -16.370 -9.451 6.571) 20.011 22.076 ( -20.980 -12.113 -26.483) 35.892 22.076 ( -20.980 -12.113 26.483) 35.892 22.323 ( 0.346 0.200 -0.118) 0.417 22.323 ( 0.346 0.200 0.118) 0.417 22.919 ( -25.071 -14.475 -13.155) 31.799 22.919 ( -25.071 -14.475 13.155) 31.799 23.627 ( 0.264 0.152 -0.010) 0.305 23.627 ( 0.264 0.152 0.010) 0.305 24.320 ( -0.136 -0.079 -6.587) 6.589 24.320 ( -0.136 -0.079 6.587) 6.589 25.575 ( -6.832 -3.945 -7.531) 10.906 25.575 ( -6.832 -3.945 7.531) 10.906 25.958 ( 10.922 6.306 -9.368) 15.710 25.958 ( 10.922 6.306 9.368) 15.710 ======================= Grid point 347 (40/74) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 32.329 18.665 -30.250) 48.048 2.304 ( 32.329 18.665 30.250) 48.048 2.687 ( 43.315 25.008 -23.839) 55.406 2.687 ( 43.315 25.008 23.839) 55.406 4.125 ( 20.844 12.034 -32.944) 40.799 4.125 ( 20.844 12.034 32.944) 40.799 4.407 ( 23.888 13.792 -36.924) 46.090 4.407 ( 23.888 13.792 36.924) 46.090 4.718 ( 69.431 40.086 -49.904) 94.435 4.718 ( 69.431 40.086 49.904) 94.435 5.854 ( 14.990 8.655 -14.580) 22.632 5.854 ( 14.990 8.655 14.580) 22.632 6.297 ( 25.299 14.606 -29.453) 41.483 6.297 ( 25.299 14.606 29.453) 41.483 7.726 ( 31.470 18.169 -42.451) 55.880 7.726 ( 31.470 18.169 42.451) 55.880 8.069 ( 2.939 1.697 -5.644) 6.586 8.069 ( 2.939 1.697 5.644) 6.586 8.483 ( 9.913 5.723 -3.167) 11.876 8.483 ( 9.913 5.723 3.167) 11.876 8.530 ( 16.644 9.610 -16.100) 25.072 8.530 ( 16.644 9.610 16.100) 25.072 9.230 ( 34.306 19.807 -6.951) 40.219 9.230 ( 34.306 19.807 6.951) 40.219 10.405 ( 13.921 8.037 -7.673) 17.812 10.405 ( 13.921 8.037 7.673) 17.812 12.125 ( -2.761 -1.594 -19.191) 19.454 12.125 ( -2.761 -1.594 19.191) 19.454 14.077 ( -0.774 -0.447 -0.414) 0.985 14.077 ( -0.774 -0.447 0.414) 0.985 14.308 ( 3.368 1.945 -0.578) 3.932 14.308 ( 3.368 1.945 0.578) 3.932 14.388 ( -1.077 -0.622 -6.236) 6.359 14.388 ( -1.077 -0.622 6.236) 6.359 15.283 ( 3.862 2.230 -17.443) 18.004 15.283 ( 3.862 2.230 17.443) 18.004 16.585 ( 24.503 14.147 -10.512) 30.183 16.585 ( 24.503 14.147 10.512) 30.183 17.773 ( -0.306 -0.177 -8.064) 8.071 17.773 ( -0.306 -0.177 8.064) 8.071 21.599 ( -18.420 -10.635 -40.929) 46.125 21.599 ( -18.420 -10.635 40.929) 46.125 22.334 ( 0.629 0.363 -0.110) 0.735 22.334 ( 0.629 0.363 0.110) 0.735 22.577 ( -11.029 -6.368 -3.599) 13.234 22.577 ( -11.029 -6.368 3.599) 13.234 23.636 ( 0.526 0.304 -0.014) 0.607 23.636 ( 0.526 0.304 0.014) 0.607 24.249 ( -4.909 -2.834 -6.497) 8.623 24.249 ( -4.909 -2.834 6.497) 8.623 25.230 ( -18.964 -10.949 -3.873) 22.237 25.230 ( -18.964 -10.949 3.873) 22.237 26.152 ( 3.515 2.030 -8.678) 9.580 26.152 ( 3.515 2.030 8.678) 9.580 ======================= Grid point 349 (41/74) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 31.395 18.126 -20.873) 41.831 3.029 ( 31.395 18.126 20.873) 41.831 3.691 ( 45.214 26.104 -9.048) 52.986 3.691 ( 45.214 26.104 9.048) 52.986 4.645 ( 24.548 14.173 -27.586) 39.553 4.645 ( 24.548 14.173 27.586) 39.553 4.854 ( 17.070 9.856 -33.470) 38.843 4.854 ( 17.070 9.856 33.470) 38.843 6.208 ( 55.150 31.841 -37.155) 73.729 6.208 ( 55.150 31.841 37.155) 73.729 6.233 ( 18.237 10.529 -14.262) 25.433 6.233 ( 18.237 10.529 14.262) 25.433 6.928 ( 34.635 19.996 -36.432) 54.099 6.928 ( 34.635 19.996 36.432) 54.099 8.135 ( 3.291 1.900 -5.564) 6.738 8.135 ( 3.291 1.900 5.564) 6.738 8.467 ( 26.747 15.442 -21.822) 37.816 8.467 ( 26.747 15.442 21.822) 37.816 8.771 ( 15.140 8.741 -2.368) 17.642 8.771 ( 15.140 8.741 2.368) 17.642 9.047 ( 33.240 19.191 -19.085) 42.865 9.047 ( 33.240 19.191 19.085) 42.865 10.012 ( 35.871 20.710 -16.533) 44.598 10.012 ( 35.871 20.710 16.533) 44.598 10.870 ( 23.614 13.634 -12.769) 30.109 10.870 ( 23.614 13.634 12.769) 30.109 12.235 ( 14.452 8.344 -27.128) 31.850 12.235 ( 14.452 8.344 27.128) 31.850 14.049 ( -1.697 -0.980 -0.531) 2.030 14.049 ( -1.697 -0.980 0.531) 2.030 14.255 ( -8.794 -5.077 -13.124) 16.594 14.255 ( -8.794 -5.077 13.124) 16.594 14.403 ( 4.972 2.871 -0.575) 5.770 14.403 ( 4.972 2.871 0.575) 5.770 15.394 ( 4.918 2.840 -3.562) 6.704 15.394 ( 4.918 2.840 3.562) 6.704 16.758 ( -2.436 -1.406 -8.436) 8.892 16.758 ( -2.436 -1.406 8.436) 8.892 18.067 ( 20.960 12.101 -20.066) 31.439 18.067 ( 20.960 12.101 20.066) 31.439 21.252 ( -12.927 -7.463 -34.788) 37.855 21.252 ( -12.927 -7.463 34.788) 37.855 22.324 ( -11.820 -6.824 -8.965) 16.329 22.324 ( -11.820 -6.824 8.965) 16.329 22.350 ( 0.802 0.463 -0.099) 0.931 22.350 ( 0.802 0.463 0.099) 0.931 23.650 ( 0.772 0.446 -0.018) 0.892 23.650 ( 0.772 0.446 0.018) 0.892 24.120 ( -6.492 -3.748 -3.796) 8.402 24.120 ( -6.492 -3.748 3.796) 8.402 24.786 ( -20.021 -11.559 -2.203) 23.223 24.786 ( -20.021 -11.559 2.203) 23.223 26.123 ( -5.466 -3.156 -4.291) 7.632 26.123 ( -5.466 -3.156 4.291) 7.632 ======================= Grid point 351 (42/74) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( 27.577 15.922 -14.388) 34.943 3.696 ( 27.577 15.922 14.388) 34.943 4.692 ( 43.010 24.832 -3.703) 49.801 4.692 ( 43.010 24.832 3.703) 49.801 5.197 ( 23.918 13.809 -22.274) 35.481 5.197 ( 23.918 13.809 22.274) 35.481 5.218 ( 16.134 9.315 -19.506) 26.973 5.218 ( 16.134 9.315 19.506) 26.973 6.654 ( 18.809 10.859 -14.408) 26.063 6.654 ( 18.809 10.859 14.408) 26.063 6.925 ( 15.517 8.959 -29.604) 34.604 6.925 ( 15.517 8.959 29.604) 34.604 7.983 ( 47.366 27.347 -28.421) 61.637 7.983 ( 47.366 27.347 28.421) 61.637 8.229 ( 5.159 2.978 -6.048) 8.489 8.229 ( 5.159 2.978 6.048) 8.489 8.913 ( 20.420 11.789 -19.401) 30.535 8.913 ( 20.420 11.789 19.401) 30.535 9.140 ( 17.206 9.934 -1.795) 19.949 9.140 ( 17.206 9.934 1.795) 19.949 9.937 ( 38.949 22.487 -17.407) 48.226 9.937 ( 38.949 22.487 17.407) 48.226 10.841 ( 35.234 20.342 -30.035) 50.570 10.841 ( 35.234 20.342 30.035) 50.570 11.405 ( 27.783 16.041 -9.267) 33.393 11.405 ( 27.783 16.041 9.267) 33.393 12.708 ( 21.394 12.352 -28.964) 38.068 12.708 ( 21.394 12.352 28.964) 38.068 14.003 ( -2.395 -1.383 -0.588) 2.827 14.003 ( -2.395 -1.383 0.588) 2.827 14.138 ( 2.747 1.586 -19.135) 19.396 14.138 ( 2.747 1.586 19.135) 19.396 14.527 ( 5.892 3.402 -0.526) 6.824 14.527 ( 5.892 3.402 0.526) 6.824 15.447 ( -0.279 -0.161 -6.874) 6.882 15.447 ( -0.279 -0.161 6.874) 6.882 16.716 ( 0.674 0.389 -3.012) 3.111 16.716 ( 0.674 0.389 3.012) 3.111 18.529 ( 18.717 10.806 -13.149) 25.298 18.529 ( 18.717 10.806 13.149) 25.298 21.001 ( -9.562 -5.521 -27.489) 29.624 21.001 ( -9.562 -5.521 27.489) 29.624 22.050 ( -12.195 -7.041 -11.289) 18.048 22.050 ( -12.195 -7.041 11.289) 18.048 22.369 ( 0.844 0.487 -0.087) 0.978 22.369 ( 0.844 0.487 0.087) 0.978 23.670 ( 0.969 0.559 -0.022) 1.119 23.670 ( 0.969 0.559 0.022) 1.119 23.953 ( -8.611 -4.972 -2.730) 10.311 23.953 ( -8.611 -4.972 2.730) 10.311 24.344 ( -18.919 -10.923 -0.764) 21.859 24.344 ( -18.919 -10.923 0.764) 21.859 25.927 ( -11.596 -6.695 -2.140) 13.559 25.927 ( -11.596 -6.695 2.140) 13.559 ======================= Grid point 353 (43/74) ======================= q-point: ( 0.28 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.261 ( 22.567 13.029 -9.915) 27.881 4.261 ( 22.567 13.029 9.915) 27.881 5.484 ( 20.349 11.748 -9.731) 25.432 5.484 ( 20.349 11.748 9.731) 25.432 5.699 ( 20.417 11.788 -18.155) 29.756 5.699 ( 20.417 11.788 18.155) 29.756 5.715 ( 34.548 19.946 -5.153) 40.224 5.715 ( 34.548 19.946 5.153) 40.224 7.067 ( 17.697 10.217 -14.914) 25.298 7.067 ( 17.697 10.217 14.914) 25.298 7.155 ( 7.008 4.046 -22.689) 24.089 7.155 ( 7.008 4.046 22.689) 24.089 8.365 ( 6.655 3.842 -6.594) 10.126 8.365 ( 6.655 3.842 6.594) 10.126 8.561 ( 7.475 4.316 -16.384) 18.519 8.561 ( 7.475 4.316 16.384) 18.519 9.526 ( 16.740 9.665 -1.331) 19.376 9.526 ( 16.740 9.665 1.331) 19.376 9.705 ( 44.522 25.705 -23.458) 56.508 9.705 ( 44.522 25.705 23.458) 56.508 10.593 ( 19.660 11.351 -15.326) 27.390 10.593 ( 19.660 11.351 15.326) 27.390 11.560 ( 29.135 16.821 -20.185) 39.233 11.560 ( 29.135 16.821 20.185) 39.233 12.130 ( 28.331 16.357 -13.555) 35.411 12.130 ( 28.331 16.357 13.555) 35.411 13.068 ( 18.323 10.579 -14.858) 25.853 13.068 ( 18.323 10.579 14.858) 25.853 13.944 ( -2.799 -1.616 -0.614) 3.290 13.944 ( -2.799 -1.616 0.614) 3.290 14.433 ( 16.981 9.804 -20.710) 28.519 14.433 ( 16.981 9.804 20.710) 28.519 14.663 ( 6.124 3.536 -0.474) 7.088 14.663 ( 6.124 3.536 0.474) 7.088 15.483 ( 8.176 4.721 -16.931) 19.386 15.483 ( 8.176 4.721 16.931) 19.386 16.793 ( 5.383 3.108 -3.285) 7.030 16.793 ( 5.383 3.108 3.285) 7.030 18.891 ( 13.413 7.744 -7.368) 17.151 18.891 ( 13.413 7.744 7.368) 17.151 20.820 ( -6.464 -3.732 -20.540) 21.854 20.820 ( -6.464 -3.732 20.540) 21.854 21.791 ( -10.497 -6.060 -11.091) 16.429 21.791 ( -10.497 -6.060 11.091) 16.429 22.387 ( 0.768 0.444 -0.073) 0.890 22.387 ( 0.768 0.444 0.073) 0.890 23.693 ( 1.069 0.617 -0.023) 1.235 23.693 ( 1.069 0.617 0.023) 1.235 23.719 ( -12.460 -7.194 -3.237) 14.747 23.719 ( -12.460 -7.194 3.237) 14.747 23.955 ( -15.175 -8.761 -1.023) 17.552 23.955 ( -15.175 -8.761 1.023) 17.552 25.617 ( -15.661 -9.042 -1.227) 18.126 25.617 ( -15.661 -9.042 1.227) 18.126 ======================= Grid point 355 (44/74) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.708 ( 17.053 9.846 -7.214) 20.971 4.708 ( 17.053 9.846 7.214) 20.971 5.830 ( 12.848 7.418 -9.709) 17.730 5.830 ( 12.848 7.418 9.709) 17.730 6.107 ( 15.793 9.118 -15.742) 24.091 6.107 ( 15.793 9.118 15.742) 24.091 6.520 ( 33.734 19.476 -14.184) 41.455 6.520 ( 33.734 19.476 14.184) 41.455 7.291 ( 5.747 3.318 -14.447) 15.898 7.291 ( 5.747 3.318 14.447) 15.898 7.439 ( 15.050 8.689 -15.000) 22.956 7.439 ( 15.050 8.689 15.000) 22.956 8.517 ( 6.671 3.851 -6.615) 10.153 8.517 ( 6.671 3.851 6.615) 10.153 8.606 ( -0.825 -0.476 -11.699) 11.737 8.606 ( -0.825 -0.476 11.699) 11.737 9.879 ( 14.304 8.258 -0.888) 16.540 9.879 ( 14.304 8.258 0.888) 16.540 10.443 ( 14.568 8.411 -11.814) 20.556 10.443 ( 14.568 8.411 11.814) 20.556 11.081 ( 28.062 16.202 -17.524) 36.838 11.081 ( 28.062 16.202 17.524) 36.838 11.914 ( 1.451 0.838 -18.709) 18.784 11.914 ( 1.451 0.838 18.709) 18.784 12.645 ( 24.030 13.873 -23.425) 36.313 12.645 ( 24.030 13.873 23.425) 36.313 13.762 ( 35.820 20.681 -6.787) 41.915 13.762 ( 35.820 20.681 6.787) 41.915 13.880 ( -2.811 -1.623 -0.597) 3.300 13.880 ( -2.811 -1.623 0.597) 3.300 14.655 ( 6.155 3.554 -13.410) 15.177 14.655 ( 6.155 3.554 13.410) 15.177 14.797 ( 5.625 3.247 -0.437) 6.509 14.797 ( 5.625 3.247 0.437) 6.509 15.916 ( 26.178 15.114 -17.142) 34.750 15.916 ( 26.178 15.114 17.142) 34.750 16.934 ( 7.106 4.102 -7.350) 11.015 16.934 ( 7.106 4.102 7.350) 11.015 19.133 ( 8.069 4.659 -4.492) 10.344 19.133 ( 8.069 4.659 4.492) 10.344 20.717 ( -2.597 -1.500 -13.829) 14.150 20.717 ( -2.597 -1.500 13.829) 14.150 21.592 ( -6.973 -4.026 -8.750) 11.891 21.592 ( -6.973 -4.026 8.750) 11.891 22.403 ( 0.611 0.353 -0.056) 0.707 22.403 ( 0.611 0.353 0.056) 0.707 23.404 ( -14.671 -8.470 -3.295) 17.258 23.404 ( -14.671 -8.470 3.295) 17.258 23.663 ( -11.224 -6.480 -1.401) 13.036 23.663 ( -11.224 -6.480 1.401) 13.036 23.717 ( 1.025 0.592 -0.021) 1.184 23.717 ( 1.025 0.592 0.021) 1.184 25.237 ( -17.708 -10.224 -0.834) 20.465 25.237 ( -17.708 -10.224 0.834) 20.465 ======================= Grid point 357 (45/74) ======================= q-point: ( 0.39 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.028 ( 11.389 6.575 -6.009) 14.459 5.028 ( 11.389 6.575 6.009) 14.459 6.072 ( 8.511 4.914 -14.605) 17.603 6.072 ( 8.511 4.914 14.605) 17.603 6.408 ( 10.938 6.315 -14.657) 19.348 6.408 ( 10.938 6.315 14.657) 19.348 7.165 ( 21.591 12.465 -18.002) 30.751 7.165 ( 21.591 12.465 18.002) 30.751 7.446 ( 9.131 5.272 -9.667) 14.304 7.446 ( 9.131 5.272 9.667) 14.304 7.731 ( 10.661 6.155 -14.278) 18.852 7.731 ( 10.661 6.155 14.278) 18.852 8.586 ( 0.077 0.045 -7.361) 7.361 8.586 ( 0.077 0.045 7.361) 7.361 8.655 ( 5.361 3.095 -5.977) 8.605 8.655 ( 5.361 3.095 5.977) 8.605 10.159 ( 10.383 5.995 -0.497) 12.000 10.159 ( 10.383 5.995 0.497) 12.000 10.523 ( -3.337 -1.926 -13.636) 14.170 10.523 ( -3.337 -1.926 13.636) 14.170 11.438 ( -1.757 -1.014 -21.456) 21.552 11.438 ( -1.757 -1.014 21.456) 21.552 12.125 ( 22.545 13.017 -11.301) 28.380 12.125 ( 22.545 13.017 11.301) 28.380 13.110 ( 14.616 8.439 -21.125) 27.039 13.110 ( 14.616 8.439 21.124) 27.039 13.821 ( -2.326 -1.343 -0.505) 2.733 13.821 ( -2.326 -1.343 0.505) 2.733 14.315 ( 12.429 7.176 -13.699) 19.840 14.315 ( 12.429 7.176 13.699) 19.840 14.911 ( 4.347 2.510 -0.405) 5.036 14.911 ( 4.347 2.510 0.405) 5.036 15.010 ( 25.768 14.877 -5.338) 30.230 15.010 ( 25.768 14.877 5.338) 30.230 16.445 ( 18.461 10.658 -13.282) 25.116 16.445 ( 18.461 10.658 13.282) 25.116 17.119 ( 9.237 5.333 -7.890) 13.267 17.119 ( 9.237 5.333 7.890) 13.267 19.259 ( 3.330 1.922 -3.528) 5.218 19.259 ( 3.330 1.922 3.528) 5.218 20.703 ( 1.144 0.660 -7.766) 7.877 20.703 ( 1.144 0.660 7.766) 7.877 21.487 ( -2.260 -1.305 -5.646) 6.220 21.487 ( -2.260 -1.305 5.646) 6.220 22.415 ( 0.413 0.238 -0.036) 0.478 22.415 ( 0.413 0.238 0.036) 0.478 23.090 ( -12.851 -7.420 -2.430) 15.037 23.090 ( -12.851 -7.420 2.430) 15.037 23.442 ( -8.232 -4.753 -1.098) 9.568 23.442 ( -8.232 -4.753 1.098) 9.568 23.738 ( 0.813 0.469 -0.020) 0.939 23.738 ( 0.813 0.469 0.020) 0.939 24.841 ( -16.884 -9.748 -0.609) 19.505 24.841 ( -16.884 -9.748 0.609) 19.505 ======================= Grid point 359 (46/74) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.220 ( 5.701 3.292 -5.678) 8.694 5.220 ( 5.701 3.292 5.678) 8.694 6.211 ( 3.961 2.287 -16.558) 17.178 6.211 ( 3.961 2.287 16.558) 17.178 6.597 ( 5.707 3.295 -14.248) 15.698 6.597 ( 5.707 3.295 14.248) 15.698 7.449 ( 6.415 3.704 -14.964) 16.697 7.449 ( 6.415 3.704 14.964) 16.697 7.691 ( 8.968 5.178 -12.633) 16.335 7.691 ( 8.968 5.178 12.633) 16.335 7.911 ( 5.307 3.064 -13.216) 14.568 7.911 ( 5.307 3.064 13.216) 14.568 8.640 ( 4.476 2.584 -4.496) 6.850 8.640 ( 4.476 2.584 4.496) 6.850 8.751 ( 3.066 1.770 -5.072) 6.185 8.751 ( 3.066 1.770 5.072) 6.185 10.338 ( 5.451 3.147 -0.212) 6.298 10.338 ( 5.451 3.147 0.212) 6.298 10.381 ( -7.546 -4.356 -18.560) 20.503 10.381 ( -7.546 -4.356 18.560) 20.503 11.327 ( -4.482 -2.587 -12.643) 13.661 11.327 ( -4.482 -2.587 12.643) 13.661 12.596 ( 15.186 8.768 -8.983) 19.703 12.596 ( 15.186 8.768 8.983) 19.703 13.309 ( 4.719 2.725 -20.202) 20.924 13.309 ( 4.719 2.724 20.202) 20.924 13.779 ( -1.332 -0.769 -0.334) 1.574 13.779 ( -1.332 -0.769 0.334) 1.574 14.516 ( 6.605 3.813 -10.893) 13.297 14.516 ( 6.605 3.813 10.893) 13.297 14.987 ( 2.380 1.374 -0.377) 2.774 14.987 ( 2.380 1.374 0.377) 2.774 15.539 ( 17.386 10.038 -8.800) 21.920 15.539 ( 17.386 10.038 8.800) 21.920 16.743 ( 8.884 5.129 -11.387) 15.326 16.743 ( 8.884 5.129 11.387) 15.326 17.308 ( 6.217 3.589 -3.760) 8.104 17.308 ( 6.217 3.589 3.760) 8.104 19.299 ( 0.632 0.365 -2.490) 2.595 19.299 ( 0.632 0.365 2.490) 2.595 20.744 ( 1.881 1.086 -3.199) 3.866 20.744 ( 1.881 1.086 3.199) 3.866 21.483 ( 1.351 0.780 -3.210) 3.569 21.483 ( 1.351 0.780 3.210) 3.569 22.421 ( 0.205 0.119 -0.017) 0.238 22.421 ( 0.205 0.119 0.017) 0.238 22.845 ( -8.288 -4.785 -1.342) 9.664 22.845 ( -8.288 -4.785 1.342) 9.664 23.303 ( -3.992 -2.305 -0.607) 4.649 23.303 ( -3.992 -2.305 0.607) 4.649 23.753 ( 0.451 0.260 -0.023) 0.521 23.753 ( 0.451 0.260 0.023) 0.521 24.513 ( -11.269 -6.506 -0.374) 13.017 24.513 ( -11.269 -6.506 0.374) 13.017 ======================= Grid point 361 (47/74) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.284 ( 0.000 0.000 -5.634) 5.634 5.284 ( 0.000 0.000 5.634) 5.634 6.255 ( 0.000 0.000 -16.930) 16.930 6.255 ( 0.000 0.000 16.930) 16.930 6.662 ( 0.000 0.000 -14.145) 14.145 6.662 ( 0.000 0.000 14.145) 14.145 7.522 ( 0.000 0.000 -16.429) 16.429 7.522 ( 0.000 0.000 16.429) 16.429 7.785 ( 0.000 0.000 -7.820) 7.820 7.785 ( 0.000 0.000 7.820) 7.820 7.971 ( 0.000 0.000 -12.708) 12.708 7.971 ( 0.000 0.000 12.708) 12.708 8.713 ( 0.000 0.000 -4.933) 4.933 8.713 ( 0.000 0.000 4.933) 4.933 8.787 ( 0.000 0.000 -4.637) 4.637 8.787 ( 0.000 0.000 4.637) 4.637 10.277 ( 0.000 0.000 -21.309) 21.309 10.277 ( 0.000 0.000 21.309) 21.309 10.400 ( 0.000 0.000 -0.067) 0.067 10.400 ( 0.000 0.000 0.067) 0.067 11.276 ( 0.000 0.000 -10.989) 10.989 11.276 ( 0.000 0.000 10.989) 10.989 12.763 ( 0.000 0.000 -5.354) 5.354 12.763 ( 0.000 0.000 5.354) 5.354 13.363 ( 0.000 0.000 -20.752) 20.752 13.363 ( 0.000 0.000 20.752) 20.752 13.764 ( 0.000 0.000 -0.203) 0.203 13.764 ( 0.000 0.000 0.203) 0.203 14.595 ( 0.000 0.000 -9.915) 9.915 14.595 ( 0.000 0.000 9.915) 9.915 15.014 ( 0.000 0.000 -0.365) 0.365 15.014 ( 0.000 0.000 0.365) 0.365 15.736 ( 0.000 0.000 -10.862) 10.862 15.736 ( 0.000 0.000 10.862) 10.862 16.849 ( 0.000 0.000 -12.761) 12.761 16.849 ( 0.000 0.000 12.761) 12.761 17.376 ( 0.000 0.000 -2.373) 2.373 17.376 ( 0.000 0.000 2.373) 2.373 19.303 ( 0.001 0.000 -1.745) 1.745 19.303 ( 0.000 0.000 1.745) 1.745 20.768 ( 0.000 0.000 -1.670) 1.670 20.768 ( 0.000 0.000 1.670) 1.670 21.507 ( 0.000 0.000 -2.369) 2.369 21.507 ( 0.000 0.000 2.369) 2.369 22.424 ( 0.000 0.000 -0.001) 0.001 22.424 ( 0.000 0.000 0.001) 0.001 22.746 ( 0.000 0.000 -0.394) 0.394 22.746 ( 0.000 0.000 0.394) 0.394 23.260 ( 0.000 0.000 -0.338) 0.338 23.260 ( 0.000 0.000 0.338) 0.338 23.758 ( 0.000 0.000 -0.025) 0.025 23.758 ( 0.000 0.000 0.025) 0.025 24.379 ( 0.000 0.000 -0.067) 0.067 24.379 ( 0.000 0.000 0.067) 0.067 ======================= Grid point 383 (48/74) ======================= q-point: ( 0.06 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 19.402 33.606 -33.045) 50.968 2.135 ( 19.402 33.606 33.045) 50.968 2.423 ( 23.990 41.552 -28.174) 55.640 2.423 ( 23.990 41.552 28.174) 55.640 4.015 ( 11.573 20.045 -33.756) 40.929 4.015 ( 11.573 20.045 33.756) 40.929 4.231 ( 24.031 41.623 -9.488) 48.989 4.231 ( 24.031 41.623 9.488) 48.989 4.314 ( 29.065 50.343 -10.193) 59.018 4.314 ( 29.065 50.343 10.193) 59.018 5.776 ( 8.335 14.437 -14.593) 22.155 5.776 ( 8.335 14.437 14.593) 22.155 6.138 ( 13.686 23.705 -26.096) 37.818 6.138 ( 13.686 23.705 26.096) 37.818 7.544 ( 14.368 24.886 -47.111) 55.184 7.544 ( 14.368 24.886 47.111) 55.184 8.075 ( 3.263 5.652 -5.114) 8.292 8.075 ( 3.263 5.652 5.114) 8.292 8.372 ( 5.806 10.056 -11.013) 16.004 8.372 ( 5.806 10.056 11.013) 16.004 8.495 ( 7.912 13.704 -9.155) 18.282 8.495 ( 7.912 13.704 9.155) 18.282 9.008 ( 18.586 32.192 -1.193) 37.192 9.008 ( 18.586 32.192 1.193) 37.192 10.333 ( 4.721 8.177 -14.178) 17.035 10.333 ( 4.721 8.177 14.178) 17.035 12.149 ( -3.125 -5.413 -18.449) 19.479 12.149 ( -3.125 -5.413 18.449) 19.479 14.090 ( 0.057 0.099 -0.153) 0.191 14.090 ( 0.057 0.099 0.153) 0.191 14.277 ( 1.213 2.101 -0.289) 2.443 14.277 ( 1.213 2.101 0.289) 2.443 14.392 ( 1.330 2.303 -4.322) 5.075 14.392 ( 1.330 2.303 4.322) 5.075 15.261 ( 2.553 4.421 -22.562) 23.132 15.261 ( 2.553 4.421 22.562) 23.132 16.406 ( 19.594 33.939 -17.964) 43.110 16.406 ( 19.594 33.939 17.964) 43.110 17.798 ( -4.612 -7.988 -1.255) 9.309 17.798 ( -4.612 -7.988 1.255) 9.309 21.715 ( -11.788 -20.417 -40.896) 47.204 21.715 ( -11.788 -20.417 40.896) 47.204 22.332 ( 0.431 0.746 -0.109) 0.869 22.332 ( 0.431 0.746 0.109) 0.869 22.644 ( -6.909 -11.967 -0.880) 13.847 22.644 ( -6.909 -11.967 0.880) 13.847 23.634 ( 0.352 0.610 -0.014) 0.705 23.634 ( 0.352 0.610 0.014) 0.705 24.277 ( -2.462 -4.265 -7.143) 8.676 24.277 ( -2.462 -4.265 7.143) 8.676 25.341 ( -10.380 -17.978 -4.283) 21.196 25.341 ( -10.380 -17.978 4.283) 21.196 26.121 ( 3.684 6.381 -10.088) 12.492 26.121 ( 3.684 6.381 10.088) 12.492 ======================= Grid point 385 (49/74) ======================= q-point: ( 0.11 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 23.194 34.319 -23.266) 47.508 2.841 ( 23.194 34.319 23.266) 47.508 3.321 ( 34.469 38.592 -13.108) 53.378 3.321 ( 34.469 38.592 13.108) 53.378 4.476 ( 16.992 22.485 -27.029) 39.050 4.476 ( 16.992 22.485 27.029) 39.050 4.703 ( 14.989 16.159 -34.281) 40.755 4.703 ( 14.989 16.159 34.281) 40.755 5.693 ( 50.041 54.765 -42.070) 85.282 5.693 ( 50.041 54.765 42.070) 85.282 6.122 ( 12.983 18.648 -13.989) 26.683 6.122 ( 12.983 18.648 13.989) 26.683 6.653 ( 21.778 21.683 -34.744) 46.385 6.653 ( 21.778 21.683 34.744) 46.385 8.072 ( 11.269 9.676 -6.923) 16.388 8.072 ( 11.269 9.676 6.923) 16.388 8.298 ( 14.985 25.290 -16.777) 33.846 8.298 ( 14.985 25.290 16.777) 33.846 8.667 ( 14.999 16.780 -8.027) 23.895 8.667 ( 14.999 16.780 8.027) 23.895 8.825 ( 14.391 18.955 -12.420) 26.844 8.825 ( 14.391 18.955 12.420) 26.844 9.704 ( 27.409 28.386 -8.614) 40.389 9.704 ( 27.409 28.386 8.614) 40.389 10.661 ( 17.374 17.573 -7.291) 25.765 10.661 ( 17.374 17.573 7.291) 25.765 12.144 ( 5.201 5.317 -23.853) 24.985 12.144 ( 5.201 5.317 23.853) 24.985 14.081 ( -1.517 0.496 -0.304) 1.625 14.081 ( -1.517 0.496 0.304) 1.625 14.292 ( -2.613 -5.661 -7.081) 9.435 14.292 ( -2.613 -5.661 7.081) 9.435 14.389 ( 0.808 2.796 -4.226) 5.131 14.389 ( 0.808 2.796 4.226) 5.131 15.355 ( 3.986 5.004 -7.621) 9.950 15.355 ( 3.986 5.004 7.621) 9.950 16.763 ( 1.661 1.913 -6.205) 6.703 16.763 ( 1.661 1.913 6.205) 6.703 17.902 ( 13.260 14.310 -19.717) 27.737 17.902 ( 13.260 14.310 19.717) 27.737 21.360 ( -10.949 -12.826 -37.323) 40.956 21.360 ( -10.949 -12.826 37.323) 40.956 22.350 ( 0.440 1.243 -0.152) 1.327 22.350 ( 0.440 1.243 0.152) 1.327 22.414 ( -8.439 -10.088 -7.446) 15.114 22.414 ( -8.439 -10.088 7.446) 15.114 23.650 ( 0.462 1.150 -0.024) 1.240 23.650 ( 0.462 1.150 0.024) 1.240 24.168 ( -4.524 -5.360 -4.602) 8.389 24.168 ( -4.524 -5.360 4.602) 8.389 24.944 ( -15.073 -17.607 -2.834) 23.350 24.944 ( -15.073 -17.607 2.834) 23.350 26.152 ( -1.997 -2.821 -5.534) 6.525 26.152 ( -1.997 -2.821 5.534) 6.525 ======================= Grid point 387 (50/74) ======================= q-point: ( 0.17 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.548 ( 20.640 33.794 -16.419) 42.868 3.548 ( 20.640 33.794 16.419) 42.868 4.293 ( 37.350 34.604 -2.409) 50.973 4.293 ( 37.350 34.604 2.409) 50.973 4.963 ( 17.320 14.636 -11.532) 25.439 4.963 ( 17.320 14.636 11.532) 25.439 5.119 ( 15.417 20.164 -11.956) 28.057 5.119 ( 15.417 20.164 11.956) 28.057 6.526 ( 14.499 19.096 -12.944) 27.248 6.526 ( 14.499 19.096 12.944) 27.248 6.722 ( 21.919 17.688 -28.485) 40.059 6.722 ( 21.919 17.688 28.485) 40.059 7.487 ( 44.680 36.963 -34.006) 67.223 7.487 ( 44.680 36.963 34.006) 67.223 8.234 ( 4.124 9.800 -6.647) 12.539 8.234 ( 4.124 9.800 6.647) 12.539 8.743 ( 12.842 12.137 -16.088) 23.896 8.743 ( 12.842 12.137 16.088) 23.896 9.085 ( 10.392 22.248 -3.532) 24.808 9.085 ( 10.392 22.248 3.532) 24.808 9.540 ( 36.666 30.507 -18.284) 51.083 9.540 ( 36.666 30.507 18.284) 51.083 10.493 ( 32.583 28.272 -23.616) 49.180 10.493 ( 32.583 28.272 23.616) 49.180 11.143 ( 20.634 14.335 -11.776) 27.748 11.143 ( 20.634 14.335 11.776) 27.748 12.481 ( 19.931 15.992 -29.878) 39.315 12.481 ( 19.931 15.992 29.878) 39.315 14.048 ( -2.930 0.327 -0.904) 3.084 14.048 ( -2.930 0.327 0.904) 3.084 14.138 ( -3.605 -4.815 -15.385) 16.519 14.138 ( -3.605 -4.815 15.385) 16.519 14.491 ( 4.328 6.040 -0.611) 7.455 14.491 ( 4.328 6.040 0.611) 7.455 15.447 ( 1.271 2.046 -2.610) 3.551 15.447 ( 1.271 2.046 2.610) 3.551 16.717 ( -1.657 -2.155 -5.880) 6.478 16.717 ( -1.657 -2.155 5.880) 6.478 18.338 ( 17.604 14.652 -16.074) 27.981 18.338 ( 17.604 14.652 16.074) 27.981 21.088 ( -8.884 -8.979 -30.267) 32.797 21.088 ( -8.884 -8.979 30.267) 32.797 22.154 ( -10.018 -10.312 -10.614) 17.870 22.154 ( -10.018 -10.312 10.614) 17.870 22.375 ( 0.289 2.034 -0.065) 2.056 22.375 ( 0.289 2.034 0.065) 2.056 23.671 ( 0.384 1.598 -0.035) 1.644 23.671 ( 0.384 1.598 0.035) 1.644 24.022 ( -6.211 -6.315 -2.813) 9.294 24.022 ( -6.211 -6.315 2.813) 9.294 24.512 ( -16.216 -16.132 -1.171) 22.904 24.512 ( -16.216 -16.132 1.171) 22.904 26.011 ( -7.591 -8.551 -2.772) 11.766 26.011 ( -7.591 -8.551 2.772) 11.766 ======================= Grid point 389 (51/74) ======================= q-point: ( 0.22 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.179 ( 15.469 32.532 -11.481) 37.808 4.179 ( 15.469 32.532 11.481) 37.808 5.190 ( 29.338 21.859 -6.413) 37.144 5.190 ( 29.338 21.859 6.413) 37.144 5.392 ( 23.586 15.832 -3.148) 28.581 5.392 ( 23.586 15.832 3.148) 28.581 5.602 ( 15.094 23.179 -12.240) 30.248 5.602 ( 15.094 23.179 12.240) 30.248 6.931 ( 12.840 14.377 -14.825) 24.317 6.931 ( 12.840 14.377 14.825) 24.317 7.074 ( 10.413 9.555 -22.345) 26.439 7.074 ( 10.413 9.555 22.345) 26.439 8.257 ( 12.771 7.157 -10.606) 18.078 8.257 ( 12.771 7.157 10.606) 18.078 8.565 ( 8.422 22.511 -16.122) 28.942 8.565 ( 8.422 22.511 16.122) 28.942 9.221 ( 35.045 21.498 -21.872) 46.570 9.221 ( 35.045 21.498 21.872) 46.570 9.493 ( 11.661 25.305 -3.319) 28.060 9.493 ( 11.661 25.305 3.319) 28.060 10.360 ( 25.579 19.870 -14.401) 35.447 10.360 ( 25.579 19.870 14.401) 35.447 11.241 ( 28.061 19.861 -27.941) 44.301 11.241 ( 28.061 19.861 27.941) 44.301 11.778 ( 33.272 21.817 -8.137) 40.611 11.778 ( 33.272 21.817 8.137) 40.611 12.902 ( 13.209 7.431 -23.525) 27.984 12.902 ( 13.209 7.431 23.525) 27.984 14.004 ( -3.452 1.549 -0.932) 3.897 14.004 ( -3.452 1.549 0.932) 3.897 14.236 ( 14.410 8.394 -19.583) 25.722 14.236 ( 14.410 8.394 19.583) 25.722 14.639 ( 4.937 8.436 -0.566) 9.790 14.639 ( 4.937 8.436 0.566) 9.790 15.448 ( 0.149 0.943 -12.080) 12.118 15.448 ( 0.149 0.943 12.080) 12.118 16.731 ( 3.805 0.960 -0.881) 4.021 16.731 ( 3.805 0.960 0.881) 4.021 18.730 ( 14.684 9.215 -9.368) 19.705 18.730 ( 14.684 9.215 9.368) 19.705 20.882 ( -6.627 -6.537 -23.323) 25.112 20.882 ( -6.627 -6.537 23.323) 25.112 21.888 ( -9.718 -9.336 -11.419) 17.663 21.888 ( -9.718 -9.336 11.419) 17.663 22.399 ( -0.121 2.549 -0.062) 2.553 22.399 ( -0.121 2.549 0.062) 2.553 23.687 ( -0.374 0.029 -0.245) 0.448 23.687 ( -0.374 0.029 0.245) 0.448 23.833 ( -8.387 -6.317 -2.614) 10.821 23.833 ( -8.387 -6.317 2.614) 10.821 24.099 ( -14.706 -13.802 -0.650) 20.179 24.099 ( -14.706 -13.802 0.650) 20.179 25.744 ( -11.790 -12.135 -1.513) 16.987 25.744 ( -11.790 -12.135 1.513) 16.987 ======================= Grid point 391 (52/74) ======================= q-point: ( 0.28 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.697 ( 9.367 30.423 -8.091) 32.844 4.697 ( 9.367 30.423 8.091) 32.844 5.619 ( 15.832 4.884 -6.024) 17.630 5.619 ( 15.832 4.884 6.024) 17.630 6.017 ( 14.069 18.407 -10.161) 25.298 6.017 ( 14.069 18.407 10.161) 25.298 6.184 ( 30.977 26.540 -11.104) 42.276 6.184 ( 30.977 26.540 11.104) 42.276 7.175 ( 8.558 1.436 -13.247) 15.836 7.175 ( 8.558 1.436 13.247) 15.836 7.389 ( 9.513 19.108 -12.991) 24.988 7.389 ( 9.513 19.108 12.991) 24.988 8.467 ( 6.007 8.153 -8.088) 12.960 8.467 ( 6.007 8.153 8.088) 12.960 8.708 ( -3.990 10.051 -12.100) 16.228 8.708 ( -3.990 10.051 12.100) 16.228 9.830 ( 10.131 20.910 -2.907) 23.416 9.830 ( 10.131 20.910 2.907) 23.416 10.203 ( 31.136 23.739 -14.924) 41.901 10.203 ( 31.136 23.739 14.924) 41.901 10.818 ( 18.378 12.678 -12.090) 25.390 10.818 ( 18.378 12.678 12.090) 25.390 11.817 ( 15.583 7.549 -17.445) 24.579 11.817 ( 15.583 7.549 17.445) 24.579 12.387 ( 20.431 11.325 -19.986) 30.743 12.387 ( 20.431 11.325 19.986) 30.743 13.369 ( 32.632 20.271 -3.677) 38.591 13.369 ( 32.632 20.271 3.677) 38.591 13.957 ( -4.615 3.118 -0.458) 5.588 13.957 ( -4.615 3.118 0.458) 5.588 14.537 ( 9.426 1.127 -15.362) 18.058 14.537 ( 9.426 1.127 15.362) 18.058 14.821 ( 3.108 12.141 -2.646) 12.809 14.821 ( 3.108 12.141 2.646) 12.809 15.647 ( 19.486 11.587 -18.500) 29.261 15.647 ( 19.486 11.587 18.500) 29.261 16.838 ( 6.942 1.235 -5.720) 9.079 16.838 ( 6.942 1.235 5.720) 9.079 19.009 ( 10.819 3.864 -5.161) 12.594 19.009 ( 10.819 3.864 5.161) 12.594 20.742 ( -3.563 -4.098 -16.505) 17.375 20.742 ( -3.563 -4.098 16.505) 17.375 21.659 ( -7.434 -7.314 -9.849) 14.345 21.659 ( -7.434 -7.314 9.849) 14.345 22.419 ( -0.600 2.589 -0.063) 2.658 22.419 ( -0.600 2.589 0.063) 2.658 23.524 ( -11.055 -11.681 -3.275) 16.413 23.524 ( -11.055 -11.681 3.275) 16.413 23.726 ( -4.510 -2.246 -0.277) 5.046 23.726 ( -4.510 -2.246 0.277) 5.046 23.781 ( -7.781 -5.061 -0.957) 9.331 23.781 ( -7.781 -5.061 0.957) 9.331 25.391 ( -14.463 -13.881 -0.979) 20.070 25.391 ( -14.463 -13.881 0.979) 20.070 ======================= Grid point 393 (53/74) ======================= q-point: ( 0.33 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.086 ( 3.257 27.549 -6.238) 28.434 5.086 ( 3.257 27.549 6.238) 28.434 5.890 ( 12.761 0.909 -14.072) 19.018 5.890 ( 12.761 0.909 14.072) 19.018 6.366 ( 8.902 14.821 -10.683) 20.323 6.366 ( 8.902 14.821 10.683) 20.323 6.908 ( 25.642 19.413 -17.501) 36.615 6.908 ( 25.642 19.413 17.501) 36.615 7.324 ( 8.861 1.713 -7.259) 11.583 7.324 ( 8.861 1.713 7.259) 11.583 7.712 ( 6.817 17.795 -11.185) 22.096 7.712 ( 6.817 17.795 11.185) 22.096 8.604 ( 0.035 7.287 -8.083) 10.883 8.604 ( 0.035 7.287 8.083) 10.883 8.746 ( -2.738 13.375 -7.049) 15.365 8.746 ( -2.738 13.375 7.049) 15.365 10.140 ( 4.910 16.206 -1.302) 16.983 10.140 ( 4.910 16.206 1.302) 16.983 10.576 ( 1.190 8.102 -10.726) 13.495 10.576 ( 1.190 8.102 10.726) 13.495 11.350 ( 17.305 8.567 -22.744) 29.835 11.350 ( 17.305 8.567 22.744) 29.835 11.933 ( 8.906 3.936 -13.206) 16.408 11.933 ( 8.906 3.936 13.206) 16.408 12.886 ( 21.661 10.026 -21.718) 32.270 12.886 ( 21.661 10.026 21.718) 32.270 13.906 ( -4.780 4.522 -0.538) 6.603 13.906 ( -4.780 4.522 0.538) 6.603 14.109 ( 23.115 13.025 -12.600) 29.372 14.109 ( 23.115 13.025 12.600) 29.372 14.725 ( 17.913 6.316 -7.354) 20.367 14.725 ( 17.913 6.316 7.354) 20.367 14.961 ( 0.397 12.564 -1.422) 12.651 14.961 ( 0.397 12.564 1.422) 12.651 16.182 ( 24.309 11.142 -15.201) 30.759 16.182 ( 24.309 11.142 15.201) 30.759 16.987 ( 9.699 1.220 -8.358) 12.862 16.987 ( 9.699 1.220 8.358) 12.862 19.171 ( 6.943 -1.144 -3.528) 7.872 19.171 ( 6.943 -1.144 3.528) 7.872 20.688 ( 0.287 -1.282 -10.074) 10.160 20.688 ( 0.287 -1.282 10.074) 10.160 21.506 ( -3.503 -4.693 -6.871) 9.029 21.506 ( -3.503 -4.693 6.871) 9.029 22.427 ( -0.907 1.731 -0.070) 1.956 22.427 ( -0.907 1.731 0.070) 1.956 23.207 ( -11.856 -11.433 -2.958) 16.734 23.207 ( -11.856 -11.433 2.958) 16.734 23.511 ( -7.616 -8.460 -1.145) 11.441 23.511 ( -7.616 -8.460 1.145) 11.441 23.761 ( -1.311 3.014 -0.065) 3.287 23.761 ( -1.311 3.014 0.065) 3.287 25.003 ( -15.204 -13.225 -0.717) 20.164 25.003 ( -15.204 -13.225 0.717) 20.164 ======================= Grid point 395 (54/74) ======================= q-point: ( 0.39 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.344 ( -2.578 24.269 -5.574) 25.033 5.344 ( -2.578 24.269 5.574) 25.033 6.064 ( 9.090 -2.944 -17.493) 19.932 6.064 ( 9.090 -2.944 17.493) 19.932 6.608 ( 4.571 11.231 -10.786) 16.228 6.608 ( 4.571 11.231 10.786) 16.228 7.323 ( 10.344 3.128 -16.013) 19.318 7.323 ( 10.344 3.128 16.013) 19.318 7.572 ( 12.843 9.166 -11.297) 19.405 7.572 ( 12.843 9.166 11.297) 19.405 7.958 ( 2.696 16.055 -9.417) 18.807 7.958 ( 2.696 16.055 9.417) 18.807 8.649 ( -1.453 8.086 -4.391) 9.315 8.649 ( -1.453 8.086 4.391) 9.315 8.859 ( -2.557 16.208 -2.539) 16.604 8.859 ( -2.557 16.208 2.539) 16.604 10.271 ( -0.428 0.784 -6.642) 6.701 10.271 ( -0.428 0.784 6.642) 6.701 10.615 ( -7.284 16.078 -8.693) 19.676 10.615 ( -7.284 16.078 8.693) 19.676 11.376 ( -4.845 -3.991 -15.253) 16.494 11.376 ( -4.845 -3.991 15.253) 16.494 12.376 ( 22.279 11.599 -11.116) 27.468 12.376 ( 22.279 11.599 11.116) 27.468 13.205 ( 9.778 1.453 -19.630) 21.979 13.205 ( 9.778 1.453 19.630) 21.979 13.866 ( -5.508 5.806 -0.333) 8.010 13.866 ( -5.508 5.806 0.333) 8.010 14.399 ( 9.840 1.812 -11.843) 15.504 14.399 ( 9.840 1.812 11.843) 15.504 15.040 ( -0.393 10.590 -0.868) 10.633 15.040 ( -0.393 10.590 0.868) 10.633 15.293 ( 23.843 13.238 -6.022) 27.928 15.293 ( 23.843 13.238 6.022) 27.928 16.579 ( 14.754 2.896 -11.370) 18.851 16.579 ( 14.754 2.896 11.370) 18.851 17.183 ( 10.821 0.960 -5.797) 12.314 17.183 ( 10.821 0.960 5.797) 12.314 19.232 ( 4.280 -4.878 -2.808) 7.071 19.232 ( 4.280 -4.878 2.808) 7.071 20.715 ( 2.555 0.574 -4.793) 5.462 20.715 ( 2.555 0.574 4.793) 5.462 21.453 ( 1.077 -2.202 -4.043) 4.728 21.453 ( 1.077 -2.202 4.043) 4.728 22.421 ( -0.694 -0.337 -0.093) 0.777 22.421 ( -0.694 -0.337 0.093) 0.777 22.926 ( -8.940 -9.021 -1.926) 12.845 22.926 ( -8.940 -9.021 1.926) 12.845 23.339 ( -4.552 -5.160 -0.763) 6.923 23.339 ( -4.552 -5.160 0.763) 6.923 23.760 ( -1.102 0.756 -0.043) 1.337 23.760 ( -1.102 0.756 0.043) 1.337 24.650 ( -12.880 -8.862 -0.494) 15.642 24.650 ( -12.880 -8.863 0.494) 15.642 ======================= Grid point 397 (55/74) ======================= q-point: ( 0.44 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.472 ( -8.267 20.905 -5.440) 23.129 5.472 ( -8.267 20.905 5.440) 23.129 6.144 ( 5.664 -5.899 -18.160) 19.917 6.144 ( 5.664 -5.899 18.160) 19.917 6.734 ( -0.559 7.558 -10.744) 13.148 6.734 ( -0.559 7.558 10.744) 13.148 7.444 ( 4.951 -2.554 -18.218) 19.051 7.444 ( 4.952 -2.554 18.218) 19.051 7.779 ( 2.793 4.666 -6.875) 8.766 7.779 ( 2.793 4.666 6.875) 8.766 8.106 ( -3.883 15.160 -10.277) 18.722 8.106 ( -3.883 15.160 10.277) 18.722 8.720 ( -0.332 6.810 -1.232) 6.929 8.720 ( -0.332 6.810 1.232) 6.929 8.947 ( -6.054 15.886 -1.033) 17.032 8.947 ( -6.054 15.886 1.033) 17.032 10.197 ( -1.450 -5.824 -16.546) 17.601 10.197 ( -1.450 -5.824 16.546) 17.601 10.659 ( -10.304 21.322 -3.295) 23.910 10.659 ( -10.304 21.322 3.295) 23.910 11.284 ( -2.029 -1.371 -10.745) 11.021 11.284 ( -2.029 -1.371 10.745) 11.021 12.715 ( 7.955 3.514 -6.380) 10.786 12.715 ( 7.955 3.514 6.380) 10.786 13.307 ( 4.552 -2.967 -19.774) 20.507 13.307 ( 4.552 -2.967 19.774) 20.507 13.840 ( -4.742 6.748 -0.163) 8.249 13.840 ( -4.742 6.748 0.163) 8.249 14.538 ( 5.593 -1.496 -9.875) 11.447 14.538 ( 5.593 -1.496 9.875) 11.447 15.098 ( -3.965 9.687 -0.611) 10.484 15.098 ( -3.965 9.687 0.611) 10.484 15.672 ( 9.437 3.687 -9.645) 13.988 15.672 ( 9.437 3.687 9.645) 13.988 16.770 ( 7.687 -2.433 -11.965) 14.428 16.770 ( 7.686 -2.433 11.965) 14.428 17.318 ( 5.394 -2.547 -2.341) 6.408 17.318 ( 5.394 -2.547 2.341) 6.408 19.240 ( 3.657 -6.453 -1.954) 7.670 19.240 ( 3.657 -6.453 1.954) 7.670 20.758 ( 1.386 0.316 -1.784) 2.281 20.758 ( 1.386 0.316 1.784) 2.281 21.475 ( 2.601 -1.651 -2.447) 3.934 21.475 ( 2.601 -1.651 2.447) 3.934 22.402 ( 0.549 -2.563 -0.146) 2.626 22.402 ( 0.549 -2.563 0.146) 2.626 22.754 ( -2.966 -4.392 -0.689) 5.344 22.754 ( -2.966 -4.392 0.689) 5.344 23.259 ( -1.120 -1.719 -0.441) 2.099 23.259 ( -1.120 -1.719 0.441) 2.099 23.742 ( 0.180 -1.999 -0.065) 2.008 23.742 ( 0.180 -1.999 0.065) 2.008 24.433 ( -6.254 -1.023 -0.212) 6.341 24.433 ( -6.254 -1.023 0.212) 6.341 ======================= Grid point 421 (56/74) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.559 ( 21.842 37.831 -17.053) 46.894 3.559 ( 21.842 37.831 17.053) 46.894 4.140 ( 25.600 44.340 -2.239) 51.248 4.140 ( 25.600 44.340 2.239) 51.248 4.891 ( 10.230 17.718 -3.218) 20.711 4.891 ( 10.230 17.718 3.218) 20.711 5.088 ( 14.306 24.779 -0.927) 28.627 5.088 ( 14.306 24.779 0.927) 28.627 6.497 ( 14.004 24.256 -0.835) 28.021 6.497 ( 14.004 24.256 0.835) 28.021 6.616 ( 15.497 26.842 -15.695) 34.742 6.616 ( 15.497 26.842 15.695) 34.742 7.277 ( 26.984 46.737 -36.606) 65.211 7.277 ( 26.984 46.737 36.606) 65.211 8.247 ( 6.300 10.912 -5.770) 13.858 8.247 ( 6.300 10.912 5.770) 13.858 8.706 ( 8.544 14.799 -13.737) 21.925 8.706 ( 8.544 14.799 13.737) 21.925 9.125 ( 13.607 23.569 -6.278) 27.930 9.125 ( 13.607 23.569 6.278) 27.930 9.365 ( 22.772 39.443 -14.571) 47.818 9.365 ( 22.772 39.443 14.571) 47.818 10.344 ( 21.395 37.057 -17.512) 46.235 10.344 ( 21.395 37.057 17.512) 46.235 11.028 ( 11.062 19.160 -12.145) 25.238 11.028 ( 11.062 19.160 12.145) 25.238 12.387 ( 11.198 19.396 -29.703) 37.200 12.387 ( 11.198 19.396 29.703) 37.200 14.080 ( -0.976 -1.690 -1.840) 2.682 14.080 ( -0.976 -1.690 1.840) 2.682 14.147 ( -3.330 -5.767 -12.663) 14.307 14.147 ( -3.330 -5.767 12.663) 14.307 14.485 ( 3.802 6.585 -1.273) 7.710 14.485 ( 3.802 6.585 1.273) 7.710 15.446 ( 1.884 3.263 -0.714) 3.834 15.446 ( 1.884 3.263 0.714) 3.834 16.722 ( -1.953 -3.383 -6.761) 7.809 16.722 ( -1.953 -3.383 6.761) 7.809 18.255 ( 11.237 19.462 -17.110) 28.245 18.255 ( 11.237 19.462 17.110) 28.245 21.120 ( -6.670 -11.553 -31.245) 33.973 21.120 ( -6.670 -11.553 31.245) 33.973 22.188 ( -7.255 -12.566 -10.271) 17.777 22.188 ( -7.255 -12.566 10.271) 17.777 22.385 ( 1.152 1.995 -0.060) 2.305 22.385 ( 1.152 1.995 0.060) 2.305 23.678 ( 0.899 1.557 -0.046) 1.799 23.678 ( 0.899 1.557 0.046) 1.799 24.043 ( -4.323 -7.488 -2.855) 9.105 24.043 ( -4.323 -7.488 2.855) 9.105 24.571 ( -11.644 -20.169 -1.362) 23.329 24.571 ( -11.644 -20.169 1.362) 23.329 26.031 ( -5.471 -9.477 -3.042) 11.358 26.031 ( -5.471 -9.477 3.042) 11.358 ======================= Grid point 423 (57/74) ======================= q-point: ( 0.17 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.271 ( 17.651 38.365 -12.463) 44.031 4.271 ( 17.651 38.365 12.463) 44.031 4.996 ( 26.067 35.397 -5.920) 44.356 4.996 ( 26.067 35.397 5.920) 44.356 5.223 ( 14.182 15.332 -5.575) 21.617 5.223 ( 14.182 15.332 5.575) 21.617 5.597 ( 14.677 26.057 -11.974) 32.214 5.597 ( 14.677 26.057 11.974) 32.214 6.880 ( 8.594 11.618 -18.709) 23.640 6.880 ( 8.594 11.618 18.709) 23.640 7.021 ( 12.597 20.000 -12.194) 26.597 7.021 ( 12.597 20.000 12.194) 26.597 8.114 ( 18.402 21.468 -17.806) 33.415 8.114 ( 18.402 21.468 17.806) 33.415 8.650 ( 15.945 33.846 -17.915) 41.482 8.650 ( 15.945 33.846 17.915) 41.482 8.963 ( 14.651 12.582 -16.173) 25.190 8.963 ( 14.651 12.582 16.173) 25.190 9.581 ( 11.620 28.033 -3.433) 30.539 9.581 ( 11.620 28.033 3.433) 30.539 10.164 ( 25.059 31.053 -8.325) 40.762 10.164 ( 25.059 31.053 8.325) 40.762 11.039 ( 20.795 24.761 -33.383) 46.475 11.039 ( 20.795 24.761 33.383) 46.475 11.506 ( 24.397 25.961 -3.749) 35.822 11.506 ( 24.397 25.961 3.749) 35.822 12.775 ( 11.718 12.030 -27.360) 32.103 12.775 ( 11.718 12.030 27.360) 32.103 14.047 ( 0.648 1.529 -8.329) 8.493 14.047 ( 0.648 1.529 8.329) 8.493 14.155 ( 4.032 6.127 -11.405) 13.560 14.155 ( 4.032 6.127 11.405) 13.560 14.639 ( 5.421 9.314 -0.474) 10.787 14.639 ( 5.421 9.314 0.474) 10.787 15.466 ( -0.733 0.379 -8.406) 8.447 15.466 ( -0.733 0.379 8.406) 8.447 16.693 ( 1.042 -0.196 -0.812) 1.335 16.693 ( 1.042 -0.196 0.812) 1.335 18.608 ( 11.405 12.470 -10.632) 19.966 18.608 ( 11.405 12.470 10.632) 19.966 20.914 ( -5.971 -8.641 -24.757) 26.893 20.914 ( -5.971 -8.641 24.757) 26.893 21.936 ( -8.160 -11.682 -11.374) 18.232 21.936 ( -8.160 -11.682 11.374) 18.232 22.426 ( 0.667 3.005 -0.039) 3.078 22.426 ( 0.667 3.005 0.039) 3.078 23.697 ( -0.592 -0.139 -0.295) 0.676 23.697 ( -0.592 -0.139 0.295) 0.676 23.884 ( -5.370 -6.862 -2.241) 8.997 23.884 ( -5.370 -6.862 2.241) 8.997 24.177 ( -12.570 -17.728 -0.455) 21.737 24.177 ( -12.570 -17.728 0.455) 21.737 25.790 ( -9.209 -13.978 -1.708) 16.825 25.790 ( -9.209 -13.978 1.708) 16.825 ======================= Grid point 425 (58/74) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.880 ( 10.921 36.271 -8.279) 38.774 4.880 ( 10.921 36.271 8.279) 38.774 5.464 ( 11.484 12.171 -3.748) 17.148 5.464 ( 11.484 12.171 3.748) 17.148 5.883 ( 25.971 28.263 -6.108) 38.867 5.883 ( 25.971 28.263 6.108) 38.867 6.078 ( 14.653 25.629 -6.555) 30.241 6.078 ( 14.653 25.629 6.555) 30.241 7.064 ( 6.685 2.963 -14.931) 16.625 7.064 ( 6.685 2.963 14.931) 16.625 7.437 ( 10.264 23.322 -12.781) 28.506 7.437 ( 10.264 23.322 12.781) 28.506 8.461 ( 8.303 14.762 -9.863) 19.599 8.461 ( 8.303 14.762 9.863) 19.599 8.893 ( -3.713 12.173 -13.208) 18.342 8.893 ( -3.713 12.173 13.208) 18.342 9.742 ( 31.763 29.618 -19.844) 47.748 9.742 ( 31.763 29.618 19.844) 47.748 10.076 ( 13.800 32.976 -4.549) 36.035 10.076 ( 13.800 32.976 4.549) 36.035 10.696 ( 12.932 15.203 -11.170) 22.872 10.696 ( 12.932 15.203 11.170) 22.872 11.592 ( 21.295 15.014 -13.807) 29.487 11.592 ( 21.295 15.014 13.807) 29.487 12.172 ( 20.375 16.140 -12.870) 29.004 12.172 ( 20.375 16.140 12.870) 29.004 13.098 ( 20.380 16.687 -10.716) 28.436 13.098 ( 20.380 16.687 10.716) 28.436 14.062 ( -2.479 4.286 -1.796) 5.267 14.062 ( -2.479 4.286 1.796) 5.267 14.394 ( 10.193 5.593 -16.207) 19.946 14.394 ( 10.193 5.593 16.207) 19.946 14.869 ( 7.565 15.180 -2.292) 17.115 14.869 ( 7.565 15.180 2.292) 17.115 15.519 ( 6.832 7.137 -16.424) 19.167 15.519 ( 6.832 7.137 16.424) 19.167 16.743 ( 4.434 -0.001 -4.290) 6.170 16.743 ( 4.434 -0.001 4.290) 6.170 18.871 ( 9.639 4.945 -5.698) 12.240 18.871 ( 9.639 4.945 5.698) 12.240 20.756 ( -4.016 -6.017 -18.078) 19.472 20.756 ( -4.016 -6.017 18.078) 19.472 21.699 ( -7.193 -9.737 -10.316) 15.905 21.699 ( -7.193 -9.737 10.316) 15.905 22.461 ( -0.399 3.455 -0.048) 3.479 22.461 ( -0.399 3.455 0.048) 3.479 23.566 ( -8.089 -11.712 -2.752) 14.498 23.566 ( -8.089 -11.712 2.752) 14.498 23.787 ( -5.692 -4.490 -0.428) 7.263 23.787 ( -5.692 -4.490 0.428) 7.263 23.841 ( -6.409 -7.096 -0.673) 9.585 23.841 ( -6.409 -7.096 0.673) 9.585 25.462 ( -11.711 -16.441 -1.106) 20.216 25.462 ( -11.711 -16.441 1.106) 20.216 ======================= Grid point 427 (59/74) ======================= q-point: ( 0.28 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.336 ( 5.055 29.325 -3.635) 29.978 5.336 ( 5.055 29.325 3.635) 29.978 5.753 ( 8.614 12.334 -10.980) 18.624 5.753 ( 8.614 12.334 10.980) 18.624 6.362 ( 9.595 16.743 -8.105) 20.930 6.362 ( 9.595 16.743 8.105) 20.930 6.711 ( 23.850 26.656 -16.658) 39.456 6.711 ( 23.850 26.656 16.658) 39.456 7.200 ( 7.616 1.930 -6.602) 10.263 7.200 ( 7.616 1.930 6.602) 10.263 7.802 ( 6.632 21.917 -10.156) 25.050 7.802 ( 6.632 21.917 10.156) 25.050 8.719 ( 1.984 18.008 -9.539) 20.475 8.719 ( 1.984 18.008 9.539) 20.475 8.942 ( -3.382 14.039 -9.864) 17.488 8.942 ( -3.382 14.039 9.864) 17.488 10.249 ( 4.729 17.953 -6.032) 19.521 10.249 ( 4.729 17.953 6.032) 19.521 10.641 ( 9.814 24.248 -3.746) 26.426 10.641 ( 9.814 24.248 3.746) 26.426 11.108 ( 21.534 16.431 -14.645) 30.792 11.108 ( 21.534 16.431 14.645) 30.792 11.852 ( 4.133 -1.636 -16.483) 17.072 11.852 ( 4.133 -1.636 16.483) 17.072 12.618 ( 21.319 12.049 -21.654) 32.689 12.618 ( 21.319 12.049 21.654) 32.689 13.799 ( 29.358 21.517 -7.769) 37.219 13.799 ( 29.358 21.517 7.769) 37.219 14.064 ( -3.333 7.787 -0.487) 8.484 14.064 ( -3.333 7.787 0.487) 8.484 14.533 ( 8.539 0.098 -9.253) 12.591 14.533 ( 8.539 0.098 9.253) 12.591 15.108 ( 1.180 17.134 -2.769) 17.396 15.108 ( 1.180 17.134 2.769) 17.396 15.890 ( 21.915 12.079 -16.869) 30.179 15.890 ( 21.915 12.079 16.869) 30.179 16.835 ( 7.537 -1.549 -7.721) 10.901 16.835 ( 7.537 -1.549 7.721) 10.901 19.026 ( 7.279 -2.456 -2.966) 8.235 19.026 ( 7.279 -2.456 2.966) 8.235 20.671 ( -0.762 -2.902 -11.467) 11.853 20.671 ( -0.762 -2.902 11.467) 11.853 21.515 ( -4.530 -7.226 -7.555) 11.393 21.515 ( -4.530 -7.226 7.555) 11.393 22.473 ( -1.732 2.355 -0.086) 2.924 22.473 ( -1.732 2.355 0.086) 2.924 23.270 ( -10.594 -14.017 -3.379) 17.892 23.270 ( -10.594 -14.017 3.379) 17.892 23.543 ( -7.323 -10.466 -1.071) 12.819 23.543 ( -7.323 -10.466 1.071) 12.819 23.822 ( -1.811 3.192 -0.164) 3.673 23.822 ( -1.811 3.192 0.164) 3.673 25.094 ( -12.502 -15.953 -0.825) 20.285 25.094 ( -12.502 -15.953 0.825) 20.285 ======================= Grid point 429 (60/74) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.627 ( 1.893 19.012 -1.868) 19.197 5.627 ( 1.893 19.012 1.868) 19.197 5.982 ( 2.467 14.887 -11.537) 18.995 5.982 ( 2.467 14.887 11.537) 18.995 6.625 ( 5.469 11.709 -7.778) 15.084 6.625 ( 5.469 11.709 7.778) 15.084 7.202 ( 10.484 8.457 -16.182) 21.054 7.202 ( 10.484 8.457 16.182) 21.054 7.448 ( 14.829 14.013 -8.981) 22.292 7.448 ( 14.829 14.013 8.981) 22.292 8.087 ( 3.384 19.610 -6.902) 21.063 8.087 ( 3.384 19.610 6.902) 21.063 8.841 ( -5.693 16.147 -5.657) 18.032 8.841 ( -5.693 16.147 5.657) 18.032 9.091 ( -1.662 21.870 -3.741) 22.249 9.091 ( -1.662 21.870 3.741) 22.249 10.344 ( -4.431 4.048 -6.248) 8.663 10.344 ( -4.431 4.048 6.248) 8.663 10.921 ( -3.087 27.123 -4.951) 27.743 10.921 ( -3.087 27.123 4.951) 27.743 11.399 ( -0.293 -0.405 -15.882) 15.890 11.399 ( -0.293 -0.405 15.883) 15.890 12.100 ( 22.425 11.242 -12.446) 28.003 12.100 ( 22.425 11.242 12.446) 28.003 13.020 ( 14.396 3.772 -18.292) 23.581 13.020 ( 14.396 3.772 18.292) 23.581 14.036 ( -4.475 7.408 -1.610) 8.803 14.036 ( -4.475 7.408 1.610) 8.803 14.257 ( 8.282 3.969 -11.322) 14.579 14.257 ( 8.283 3.969 11.322) 14.579 14.927 ( 26.304 13.143 -3.138) 29.572 14.927 ( 26.304 13.143 3.138) 29.572 15.272 ( -1.560 19.108 -2.201) 19.297 15.272 ( -1.560 19.108 2.201) 19.297 16.322 ( 18.043 2.847 -12.656) 22.222 16.322 ( 18.043 2.847 12.656) 22.222 16.982 ( 11.717 -1.791 -7.544) 14.050 16.982 ( 11.717 -1.791 7.544) 14.050 19.076 ( 5.590 -8.744 -2.362) 10.643 19.076 ( 5.590 -8.744 2.362) 10.643 20.674 ( 2.426 -0.048 -5.896) 6.376 20.674 ( 2.426 -0.048 5.896) 6.376 21.413 ( -0.550 -4.760 -4.553) 6.610 21.413 ( -0.550 -4.760 4.553) 6.610 22.443 ( -2.608 -1.024 -0.167) 2.807 22.443 ( -2.608 -1.024 0.167) 2.807 22.970 ( -8.909 -12.685 -2.554) 15.710 22.970 ( -8.909 -12.685 2.554) 15.710 23.360 ( -4.577 -6.088 -0.722) 7.651 23.360 ( -4.577 -6.088 0.722) 7.651 23.801 ( -2.926 0.005 -0.039) 2.926 23.801 ( -2.926 0.005 0.039) 2.926 24.757 ( -10.978 -10.774 -0.595) 15.393 24.757 ( -10.978 -10.774 0.595) 15.393 ======================= Grid point 431 (61/74) ======================= q-point: ( 0.39 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.781 ( -0.269 10.407 -4.562) 11.366 5.781 ( -0.269 10.407 4.562) 11.366 6.121 ( -3.873 16.046 -8.728) 18.672 6.121 ( -3.873 16.046 8.727) 18.672 6.777 ( 2.051 6.553 -6.688) 9.585 6.777 ( 2.051 6.553 6.688) 9.585 7.366 ( 4.493 3.479 -16.892) 17.822 7.366 ( 4.493 3.479 16.892) 17.822 7.783 ( 6.277 11.901 -9.349) 16.384 7.783 ( 6.277 11.901 9.349) 16.384 8.311 ( 0.698 18.985 -4.641) 19.556 8.311 ( 0.698 18.985 4.641) 19.556 8.888 ( -6.579 14.939 -2.702) 16.545 8.888 ( -6.579 14.939 2.702) 16.545 9.247 ( -6.215 22.322 -3.768) 23.475 9.247 ( -6.215 22.322 3.768) 23.475 10.249 ( -7.385 0.635 -15.327) 17.025 10.249 ( -7.385 0.635 15.327) 17.025 11.070 ( -8.643 22.954 -3.358) 24.756 11.070 ( -8.643 22.954 3.358) 24.756 11.346 ( -5.437 6.066 -6.138) 10.200 11.346 ( -5.437 6.066 6.138) 10.200 12.556 ( 16.732 6.686 -10.129) 20.670 12.556 ( 16.732 6.686 10.129) 20.670 13.176 ( 6.044 -4.154 -17.026) 18.539 13.176 ( 6.044 -4.154 17.026) 18.539 14.024 ( -6.021 9.165 -0.864) 11.000 14.024 ( -6.021 9.165 0.864) 11.000 14.401 ( 7.596 -0.763 -9.142) 11.910 14.401 ( 7.596 -0.763 9.142) 11.910 15.293 ( -0.852 13.831 -3.034) 14.186 15.293 ( -0.852 13.831 3.034) 14.186 15.527 ( 12.232 11.947 -5.675) 18.015 15.527 ( 12.232 11.947 5.675) 18.016 16.560 ( 12.374 -4.654 -10.207) 16.701 16.560 ( 12.374 -4.654 10.207) 16.701 17.150 ( 10.078 -4.435 -3.117) 11.443 17.150 ( 10.078 -4.435 3.117) 11.443 19.064 ( 5.787 -12.314 -2.044) 13.759 19.064 ( 5.787 -12.314 2.044) 13.759 20.728 ( 2.702 0.827 -2.147) 3.549 20.728 ( 2.702 0.827 2.147) 3.549 21.399 ( 3.073 -3.321 -2.575) 5.206 21.399 ( 3.073 -3.321 2.575) 5.206 22.373 ( -1.657 -4.850 -0.322) 5.135 22.373 ( -1.657 -4.850 0.322) 5.135 22.746 ( -4.073 -9.446 -1.346) 10.375 22.746 ( -4.073 -9.446 1.346) 10.375 23.271 ( -2.037 -1.163 -0.454) 2.389 23.271 ( -2.037 -1.163 0.454) 2.389 23.727 ( -2.336 -4.677 -0.184) 5.231 23.727 ( -2.336 -4.677 0.184) 5.231 24.539 ( -7.269 -1.810 -0.326) 7.498 24.539 ( -7.269 -1.810 0.326) 7.498 ======================= Grid point 433 (62/74) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.829 ( -3.418 5.920 -5.440) 8.736 5.829 ( -3.418 5.919 5.440) 8.736 6.166 ( -8.586 14.872 -7.251) 18.641 6.166 ( -8.586 14.872 7.251) 18.641 6.825 ( -1.733 3.001 -5.983) 6.914 6.825 ( -1.733 3.001 5.983) 6.914 7.424 ( -0.809 1.400 -18.771) 18.841 7.424 ( -0.809 1.400 18.771) 18.841 7.887 ( -3.771 6.532 -3.287) 8.228 7.887 ( -3.771 6.532 3.287) 8.228 8.426 ( -8.930 15.467 -4.733) 18.476 8.426 ( -8.930 15.467 4.733) 18.476 8.905 ( -6.895 11.942 -1.397) 13.860 8.905 ( -6.895 11.942 1.397) 13.860 9.305 ( -11.239 19.467 -3.825) 22.802 9.305 ( -11.239 19.467 3.825) 22.802 10.177 ( -2.804 4.856 -18.164) 19.010 10.177 ( -2.804 4.856 18.164) 19.010 11.099 ( -9.256 16.032 -7.796) 20.087 11.099 ( -9.256 16.032 7.796) 20.087 11.339 ( -8.004 13.863 -2.022) 16.134 11.339 ( -8.004 13.863 2.023) 16.134 12.734 ( 1.049 -1.817 -2.393) 3.182 12.734 ( 1.049 -1.817 2.393) 3.182 13.200 ( 4.257 -7.373 -17.074) 19.079 13.200 ( 4.257 -7.373 17.074) 19.079 14.017 ( -5.875 10.176 -0.725) 11.773 14.017 ( -5.875 10.176 0.725) 11.773 14.468 ( 2.768 -4.794 -8.388) 10.050 14.468 ( 2.768 -4.794 8.388) 10.050 15.341 ( -7.944 13.760 -2.285) 16.052 15.341 ( -7.944 13.760 2.285) 16.052 15.701 ( -0.382 0.662 -6.730) 6.774 15.701 ( -0.382 0.662 6.730) 6.774 16.649 ( 5.636 -9.762 -11.393) 16.027 16.649 ( 5.636 -9.762 11.393) 16.027 17.212 ( 4.690 -8.124 -1.575) 9.512 17.212 ( 4.690 -8.124 1.575) 9.512 19.050 ( 7.359 -12.748 -1.828) 14.833 19.050 ( 7.360 -12.748 1.828) 14.833 20.758 ( 0.171 -0.297 -1.070) 1.124 20.758 ( 0.171 -0.297 1.070) 1.124 21.418 ( 2.411 -4.175 -1.943) 5.198 21.418 ( 2.411 -4.175 1.943) 5.198 22.327 ( 2.612 -4.525 -0.413) 5.241 22.327 ( 2.612 -4.525 0.413) 5.241 22.665 ( 2.983 -5.167 -0.270) 5.973 22.665 ( 2.983 -5.167 0.270) 5.973 23.253 ( -0.667 1.155 -0.385) 1.388 23.253 ( -0.667 1.155 0.385) 1.388 23.675 ( 2.511 -4.349 -0.131) 5.024 23.675 ( 2.511 -4.349 0.131) 5.024 24.472 ( -2.454 4.251 -0.186) 4.912 24.472 ( -2.454 4.251 0.186) 4.912 ======================= Grid point 461 (63/74) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.965 ( 17.732 30.713 -7.279) 36.204 4.965 ( 17.732 30.713 7.279) 36.204 5.444 ( 9.767 16.916 -0.630) 19.544 5.444 ( 9.767 16.916 0.630) 19.544 5.792 ( 20.919 36.232 -8.374) 42.667 5.792 ( 20.919 36.232 8.374) 42.667 6.087 ( 14.083 24.392 -7.960) 29.269 6.087 ( 14.083 24.392 7.960) 29.269 7.020 ( 2.977 5.155 -16.130) 17.194 7.020 ( 2.977 5.155 16.130) 17.194 7.469 ( 13.348 23.120 -12.283) 29.386 7.469 ( 13.348 23.120 12.283) 29.386 8.464 ( 10.419 18.046 -10.571) 23.366 8.464 ( 10.419 18.046 10.571) 23.366 9.004 ( 3.279 5.680 -13.575) 15.077 9.004 ( 3.279 5.680 13.575) 15.077 9.580 ( 24.583 42.580 -22.541) 54.088 9.580 ( 24.583 42.580 22.541) 54.088 10.150 ( 17.072 29.569 -3.671) 34.340 10.150 ( 17.072 29.569 3.671) 34.340 10.663 ( 11.287 19.549 -1.871) 22.651 10.663 ( 11.287 19.549 1.871) 22.651 11.472 ( 12.143 21.032 -13.079) 27.584 11.472 ( 12.143 21.032 13.079) 27.584 12.067 ( 14.382 24.910 -9.106) 30.171 12.067 ( 14.382 24.910 9.106) 30.171 13.007 ( 10.321 17.876 -13.979) 24.929 13.007 ( 10.321 17.876 13.979) 24.929 14.102 ( 1.766 3.059 -4.486) 5.710 14.102 ( 1.766 3.059 4.486) 5.710 14.335 ( 5.415 9.379 -14.342) 17.971 14.335 ( 5.415 9.379 14.342) 17.971 14.874 ( 8.888 15.394 -0.306) 17.778 14.874 ( 8.888 15.394 0.306) 17.778 15.507 ( 3.166 5.484 -14.179) 15.529 15.507 ( 3.166 5.484 14.179) 15.529 16.704 ( 0.577 0.999 -3.697) 3.873 16.704 ( 0.577 0.999 3.697) 3.873 18.809 ( 4.608 7.981 -5.933) 10.960 18.809 ( 4.608 7.981 5.933) 10.960 20.761 ( -3.942 -6.828 -18.601) 20.203 20.761 ( -3.942 -6.828 18.601) 20.203 21.712 ( -6.345 -10.989 -10.435) 16.428 21.712 ( -6.345 -10.989 10.435) 16.428 22.483 ( 1.535 2.659 -0.029) 3.070 22.483 ( 1.535 2.659 0.029) 3.070 23.577 ( -6.865 -11.890 -2.540) 13.962 23.577 ( -6.865 -11.890 2.540) 13.962 23.814 ( -4.372 -7.573 -0.504) 8.759 23.814 ( -4.372 -7.573 0.504) 8.759 23.861 ( -4.287 -7.425 -0.440) 8.585 23.861 ( -4.287 -7.425 0.440) 8.585 25.478 ( -10.177 -17.626 -1.157) 20.386 25.478 ( -10.177 -17.626 1.157) 20.386 ======================= Grid point 463 (64/74) ======================= q-point: ( 0.22 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.409 ( 8.971 15.426 -5.782) 18.758 5.409 ( 8.971 15.426 5.782) 18.758 5.821 ( 9.561 24.510 -4.336) 26.663 5.821 ( 9.561 24.510 4.336) 26.663 6.378 ( 11.939 22.905 -5.382) 26.384 6.378 ( 11.939 22.905 5.382) 26.384 6.626 ( 19.301 30.047 -11.893) 37.641 6.626 ( 19.301 30.047 11.893) 37.641 7.117 ( 4.743 3.326 -7.802) 9.717 7.117 ( 4.743 3.326 7.802) 9.717 7.882 ( 9.570 21.334 -9.761) 25.338 7.882 ( 9.570 21.334 9.761) 25.338 8.841 ( 8.843 23.201 -8.918) 26.382 8.841 ( 8.843 23.201 8.918) 26.382 9.091 ( 0.403 9.505 -11.976) 15.295 9.091 ( 0.403 9.505 11.976) 15.295 10.267 ( 14.235 21.053 -14.375) 29.197 10.267 ( 14.235 21.053 14.375) 29.197 10.709 ( 14.374 30.348 -5.715) 34.062 10.709 ( 14.374 30.348 5.715) 34.062 11.020 ( 12.093 20.853 -11.766) 26.824 11.020 ( 12.093 20.853 11.766) 26.824 11.753 ( 5.443 0.983 -13.235) 14.344 11.753 ( 5.443 0.983 13.235) 14.344 12.446 ( 13.856 14.835 -20.278) 28.692 12.446 ( 13.856 14.835 20.278) 28.692 13.581 ( 24.501 29.880 -3.278) 38.780 13.581 ( 24.501 29.880 3.278) 38.780 14.156 ( 0.295 4.825 -3.055) 5.719 14.156 ( 0.295 4.825 3.055) 5.719 14.442 ( 2.896 0.993 -9.084) 9.586 14.442 ( 2.896 0.993 9.084) 9.586 15.205 ( 8.322 18.524 -2.357) 20.444 15.205 ( 8.322 18.524 2.357) 20.444 15.727 ( 11.774 13.220 -17.172) 24.663 15.727 ( 11.774 13.220 17.172) 24.663 16.728 ( 2.733 -1.457 -7.071) 7.720 16.728 ( 2.733 -1.457 7.071) 7.720 18.911 ( 3.359 -1.084 -2.461) 4.303 18.911 ( 3.359 -1.084 2.461) 4.303 20.660 ( -1.720 -3.604 -12.112) 12.753 20.660 ( -1.720 -3.604 12.112) 12.753 21.519 ( -5.031 -8.541 -7.841) 12.639 21.519 ( -5.031 -8.541 7.841) 12.639 22.516 ( -0.630 1.560 -0.051) 1.683 22.516 ( -0.630 1.560 0.051) 1.683 23.297 ( -9.540 -15.219 -3.571) 18.314 23.297 ( -9.540 -15.219 3.571) 18.314 23.556 ( -7.089 -11.732 -0.991) 13.743 23.556 ( -7.089 -11.732 0.991) 13.743 23.869 ( -0.340 2.156 -0.184) 2.190 23.869 ( -0.340 2.156 0.184) 2.190 25.125 ( -10.734 -17.367 -0.899) 20.436 25.125 ( -10.734 -17.367 0.899) 20.436 ======================= Grid point 465 (65/74) ======================= q-point: ( 0.28 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.632 ( 6.266 6.115 -12.824) 15.528 5.632 ( 6.266 6.115 12.824) 15.528 6.163 ( 4.050 19.933 -4.611) 20.856 6.163 ( 4.050 19.933 4.611) 20.856 6.713 ( 3.194 21.446 -7.904) 23.079 6.713 ( 3.194 21.446 7.904) 23.079 7.128 ( 10.116 11.624 -14.764) 21.341 7.128 ( 10.116 11.624 14.764) 21.341 7.361 ( 14.942 20.366 -5.006) 25.751 7.361 ( 14.942 20.366 5.006) 25.751 8.203 ( 5.483 18.638 -6.666) 20.539 8.203 ( 5.483 18.638 6.666) 20.539 9.080 ( -2.354 15.065 -6.257) 16.482 9.080 ( -2.354 15.065 6.257) 16.482 9.312 ( 3.785 25.819 -5.116) 26.591 9.312 ( 3.785 25.819 5.116) 26.591 10.459 ( -2.084 5.748 -4.104) 7.364 10.459 ( -2.084 5.748 4.104) 7.364 11.174 ( 5.382 23.915 -6.202) 25.286 11.174 ( 5.382 23.915 6.202) 25.286 11.418 ( 5.539 17.893 -8.225) 20.458 11.418 ( 5.539 17.893 8.225) 20.458 11.867 ( 14.666 5.611 -11.783) 19.632 11.867 ( 14.666 5.612 11.783) 19.632 12.830 ( 14.351 9.332 -16.456) 23.745 12.830 ( 14.351 9.332 16.456) 23.745 14.058 ( 4.851 2.924 -12.095) 13.356 14.058 ( 4.851 2.924 12.095) 13.356 14.277 ( 3.083 13.135 -1.779) 13.609 14.277 ( 3.083 13.135 1.779) 13.609 14.644 ( 20.241 13.799 -1.851) 24.567 14.644 ( 20.241 13.799 1.851) 24.567 15.484 ( 1.994 21.184 -2.440) 21.417 15.484 ( 1.994 21.184 2.440) 21.417 16.072 ( 14.885 5.684 -14.323) 21.425 16.072 ( 14.885 5.684 14.323) 21.425 16.787 ( 7.524 -2.960 -8.362) 11.631 16.787 ( 7.524 -2.960 8.362) 11.631 18.906 ( 2.725 -9.947 -1.308) 10.396 18.906 ( 2.725 -9.947 1.308) 10.396 20.638 ( 1.385 -0.299 -6.425) 6.580 20.638 ( 1.385 -0.299 6.425) 6.580 21.383 ( -2.347 -6.149 -4.699) 8.087 21.383 ( -2.347 -6.149 4.699) 8.087 22.479 ( -3.338 -2.542 -0.130) 4.198 22.479 ( -3.338 -2.542 0.130) 4.198 22.987 ( -9.193 -14.931 -3.041) 17.796 22.987 ( -9.193 -14.931 3.041) 17.796 23.374 ( -4.007 -5.976 -0.677) 7.227 23.374 ( -4.007 -5.976 0.677) 7.227 23.846 ( -3.193 -1.786 -0.037) 3.659 23.846 ( -3.193 -1.786 0.037) 3.659 24.811 ( -8.566 -11.716 -0.674) 14.529 24.811 ( -8.566 -11.716 0.674) 14.529 ======================= Grid point 467 (66/74) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.757 ( 4.279 1.656 -13.437) 14.198 5.757 ( 4.279 1.656 13.437) 14.198 6.343 ( 0.768 9.687 -3.293) 10.260 6.343 ( 0.768 9.687 3.293) 10.260 6.910 ( -3.186 19.581 -8.504) 21.584 6.910 ( -3.186 19.581 8.504) 21.584 7.352 ( 5.627 10.798 -14.941) 19.275 7.352 ( 5.627 10.798 14.941) 19.275 7.806 ( 9.414 20.844 -9.360) 24.712 7.806 ( 9.414 20.844 9.360) 24.712 8.444 ( 3.557 16.076 -2.996) 16.735 8.444 ( 3.557 16.075 2.996) 16.735 9.158 ( -5.417 14.680 -4.951) 16.412 9.158 ( -5.417 14.680 4.951) 16.412 9.568 ( -4.175 25.014 -7.843) 26.545 9.568 ( -4.175 25.014 7.843) 26.545 10.432 ( -7.365 8.509 -10.809) 15.604 10.432 ( -7.365 8.509 10.809) 15.604 11.260 ( -4.248 1.535 -9.902) 10.884 11.260 ( -4.248 1.535 9.902) 10.884 11.671 ( -4.118 32.974 -2.830) 33.351 11.671 ( -4.118 32.974 2.830) 33.351 12.299 ( 21.135 8.070 -14.463) 26.851 12.299 ( 21.135 8.070 14.463) 26.851 13.046 ( 6.000 -0.609 -13.470) 14.758 13.046 ( 6.000 -0.609 13.470) 14.758 14.090 ( 2.982 -3.213 -7.940) 9.070 14.090 ( 2.982 -3.213 7.940) 9.070 14.394 ( -1.497 11.790 -2.630) 12.172 14.394 ( -1.497 11.790 2.630) 12.172 15.188 ( 20.561 12.950 -4.584) 24.728 15.188 ( 20.561 12.950 4.584) 24.728 15.690 ( -2.855 23.026 -3.348) 23.443 15.690 ( -2.855 23.026 3.348) 23.443 16.297 ( 12.051 -4.747 -8.775) 15.644 16.297 ( 12.051 -4.747 8.775) 15.644 16.916 ( 10.965 -5.005 -4.751) 12.956 16.916 ( 10.965 -5.005 4.751) 12.956 18.830 ( 4.325 -16.412 -1.650) 17.053 18.830 ( 4.325 -16.412 1.650) 17.053 20.688 ( 3.147 1.439 -2.549) 4.298 20.688 ( 3.147 1.439 2.549) 4.298 21.323 ( 1.193 -4.422 -2.457) 5.198 21.323 ( 1.193 -4.422 2.457) 5.198 22.364 ( -3.964 -6.903 -0.315) 7.967 22.364 ( -3.964 -6.903 0.315) 7.967 22.717 ( -5.852 -13.210 -1.965) 14.581 22.717 ( -5.852 -13.210 1.965) 14.581 23.300 ( -1.795 0.025 -0.344) 1.827 23.300 ( -1.795 0.025 0.344) 1.827 23.727 ( -4.600 -7.561 -0.240) 8.854 23.727 ( -4.600 -7.561 0.240) 8.854 24.628 ( -5.302 -2.194 -0.384) 5.751 24.628 ( -5.302 -2.194 0.384) 5.751 ======================= Grid point 469 (67/74) ======================= q-point: ( 0.39 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.814 ( 2.088 -0.789 -12.332) 12.533 5.814 ( 2.088 -0.789 12.332) 12.533 6.403 ( -0.365 3.115 -3.958) 5.050 6.403 ( -0.365 3.115 3.958) 5.050 7.000 ( -7.494 17.623 -8.831) 21.089 7.000 ( -7.494 17.623 8.831) 21.089 7.504 ( -1.518 11.546 -18.429) 21.800 7.504 ( -1.518 11.546 18.429) 21.800 8.038 ( -2.199 14.687 -4.396) 15.488 8.038 ( -2.199 14.687 4.396) 15.488 8.631 ( 0.853 11.738 -2.041) 11.944 8.631 ( 0.853 11.738 2.041) 11.944 9.173 ( -8.604 13.465 -2.433) 16.164 9.173 ( -8.604 13.465 2.433) 16.164 9.668 ( -8.847 19.696 -5.554) 22.294 9.668 ( -8.847 19.696 5.554) 22.294 10.402 ( -10.408 16.313 -14.107) 23.946 10.402 ( -10.408 16.313 14.107) 23.946 11.209 ( -2.310 1.218 -12.504) 12.774 11.209 ( -2.310 1.218 12.504) 12.774 11.852 ( -14.341 34.698 -2.712) 37.643 11.852 ( -14.341 34.698 2.712) 37.643 12.623 ( 11.183 -0.443 -8.690) 14.169 12.623 ( 11.183 -0.443 8.690) 14.169 13.065 ( 2.330 -6.063 -10.772) 12.579 13.065 ( 2.330 -6.063 10.772) 12.579 14.111 ( 2.794 -3.316 -5.973) 7.381 14.111 ( 2.794 -3.316 5.973) 7.381 14.466 ( -3.272 10.170 -2.605) 10.996 14.466 ( -3.272 10.170 2.605) 10.996 15.481 ( 4.377 4.675 -7.742) 10.047 15.481 ( 4.377 4.675 7.742) 10.047 15.839 ( -5.580 20.157 -3.372) 21.185 15.839 ( -5.580 20.157 3.372) 21.185 16.413 ( 9.692 -9.516 -8.346) 15.942 16.413 ( 9.692 -9.516 8.346) 15.942 17.013 ( 8.239 -9.388 -1.206) 12.548 17.013 ( 8.239 -9.388 1.206) 12.548 18.759 ( 8.269 -18.740 -1.727) 20.556 18.759 ( 8.270 -18.740 1.727) 20.556 20.745 ( 1.615 0.868 -0.705) 1.964 20.745 ( 1.615 0.868 0.705) 1.964 21.324 ( 3.232 -4.270 -1.589) 5.586 21.324 ( 3.232 -4.270 1.589) 5.586 22.248 ( -0.366 -7.069 -0.516) 7.098 22.248 ( -0.367 -7.069 0.516) 7.098 22.556 ( 0.706 -9.983 -0.776) 10.038 22.556 ( 0.706 -9.983 0.776) 10.038 23.294 ( -1.342 2.923 -0.235) 3.225 23.294 ( -1.342 2.923 0.236) 3.225 23.596 ( -0.516 -7.759 -0.180) 7.778 23.596 ( -0.516 -7.759 0.180) 7.778 24.566 ( -3.506 3.607 -0.212) 5.034 24.566 ( -3.506 3.607 0.212) 5.034 ======================= Grid point 499 (68/74) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.606 ( 4.145 7.179 -14.136) 16.387 5.606 ( 4.145 7.179 14.136) 16.387 6.212 ( 7.500 12.991 -5.134) 15.855 6.212 ( 7.500 12.991 5.134) 15.855 6.821 ( 12.413 21.500 -1.782) 24.890 6.821 ( 12.413 21.500 1.782) 24.890 7.093 ( 7.193 12.459 -8.306) 16.612 7.093 ( 7.193 12.459 8.306) 16.612 7.338 ( 14.607 25.300 -2.315) 29.305 7.338 ( 14.607 25.300 2.315) 29.305 8.250 ( 9.352 16.198 -6.496) 19.799 8.250 ( 9.352 16.198 6.496) 19.799 9.174 ( 4.966 8.602 -9.494) 13.740 9.174 ( 4.966 8.602 9.494) 13.740 9.420 ( 14.309 24.784 -7.765) 29.653 9.420 ( 14.309 24.784 7.765) 29.653 10.500 ( 2.813 4.872 -10.924) 12.287 10.500 ( 2.813 4.872 10.924) 12.287 11.230 ( 12.017 20.815 -6.784) 24.974 11.230 ( 12.017 20.815 6.784) 24.974 11.504 ( 14.006 24.259 -8.239) 29.199 11.504 ( 14.006 24.259 8.239) 29.199 11.744 ( 2.746 4.756 -9.421) 10.905 11.744 ( 2.746 4.756 9.421) 10.905 12.751 ( 8.624 14.937 -15.436) 23.146 12.751 ( 8.624 14.937 15.436) 23.146 14.029 ( 3.806 6.592 -14.215) 16.125 14.029 ( 3.806 6.592 14.215) 16.125 14.302 ( 8.300 14.375 -0.147) 16.600 14.302 ( 8.300 14.375 0.147) 16.600 14.551 ( 8.442 14.621 -2.413) 17.055 14.551 ( 8.442 14.621 2.413) 17.055 15.572 ( 10.823 18.747 -0.939) 21.667 15.572 ( 10.823 18.747 0.939) 21.667 15.972 ( 5.968 10.337 -14.992) 19.163 15.972 ( 5.968 10.337 14.992) 19.163 16.703 ( -0.187 -0.323 -8.530) 8.538 16.703 ( -0.187 -0.323 8.530) 8.538 18.828 ( -4.195 -7.266 -0.077) 8.390 18.828 ( -4.195 -7.266 0.077) 8.390 20.625 ( 0.054 0.094 -6.574) 6.575 20.625 ( 0.054 0.094 6.574) 6.575 21.373 ( -3.607 -6.248 -4.714) 8.618 21.373 ( -3.607 -6.248 4.714) 8.618 22.496 ( -2.320 -4.019 -0.001) 4.641 22.496 ( -2.320 -4.019 0.001) 4.641 22.991 ( -9.128 -15.811 -3.225) 18.539 22.991 ( -9.128 -15.811 3.225) 18.539 23.379 ( -3.413 -5.911 -0.668) 6.858 23.379 ( -3.413 -5.911 0.668) 6.858 23.866 ( -1.944 -3.368 -0.036) 3.889 23.866 ( -1.944 -3.368 0.036) 3.889 24.825 ( -7.050 -12.210 -0.705) 14.117 24.825 ( -7.050 -12.210 0.705) 14.117 ======================= Grid point 501 (69/74) ======================= q-point: ( 0.28 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.719 ( 3.222 3.688 -13.691) 14.541 5.719 ( 3.222 3.688 13.691) 14.541 6.346 ( 1.876 1.221 -3.533) 4.183 6.346 ( 1.876 1.221 3.533) 4.183 7.103 ( 1.955 12.995 -10.531) 16.840 7.103 ( 1.955 12.995 10.531) 16.840 7.378 ( 9.407 19.227 -7.611) 22.718 7.378 ( 9.407 19.227 7.611) 22.718 7.869 ( 12.746 28.059 -5.377) 31.284 7.869 ( 12.746 28.059 5.377) 31.284 8.509 ( 5.033 12.138 -2.223) 13.327 8.509 ( 5.033 12.138 2.223) 13.327 9.309 ( 1.311 9.402 -11.398) 14.833 9.309 ( 1.311 9.402 11.398) 14.833 9.829 ( 3.237 22.561 -13.003) 26.240 9.829 ( 3.237 22.561 13.003) 26.240 10.586 ( 1.676 10.645 -7.949) 13.390 10.586 ( 1.676 10.645 7.949) 13.390 11.351 ( -4.816 0.820 -4.463) 6.617 11.351 ( -4.816 0.820 4.463) 6.617 11.928 ( 11.463 24.568 -4.657) 27.508 11.928 ( 11.463 24.568 4.657) 27.508 12.086 ( 14.204 18.078 -10.467) 25.261 12.086 ( 14.204 18.078 10.467) 25.261 12.976 ( 5.070 5.636 -9.649) 12.271 12.976 ( 5.070 5.636 9.649) 12.271 14.002 ( -0.434 -6.365 -10.455) 12.247 14.002 ( -0.434 -6.365 10.455) 12.247 14.527 ( 2.744 12.875 -0.784) 13.187 14.527 ( 2.744 12.875 0.784) 13.187 15.013 ( 18.018 21.029 -4.677) 28.085 15.013 ( 18.018 21.029 4.677) 28.085 15.895 ( 4.010 17.166 -4.270) 18.138 15.895 ( 4.010 17.166 4.270) 18.138 16.118 ( 6.393 2.738 -6.834) 9.750 16.118 ( 6.393 2.738 6.834) 9.750 16.732 ( 4.902 -2.605 -5.923) 8.118 16.732 ( 4.902 -2.605 5.923) 8.118 18.646 ( -2.942 -16.316 -1.079) 16.614 18.646 ( -2.942 -16.316 1.079) 16.614 20.658 ( 2.233 2.150 -2.739) 4.137 20.658 ( 2.233 2.150 2.739) 4.137 21.279 ( -1.257 -4.428 -2.126) 5.071 21.279 ( -1.257 -4.428 2.126) 5.071 22.367 ( -4.950 -8.323 -0.192) 9.686 22.367 ( -4.950 -8.323 0.192) 9.686 22.695 ( -7.832 -14.788 -2.351) 16.898 22.695 ( -7.832 -14.788 2.351) 16.898 23.324 ( -0.590 0.398 -0.346) 0.791 23.324 ( -0.590 0.398 0.346) 0.791 23.731 ( -5.619 -9.524 -0.267) 11.061 23.731 ( -5.619 -9.524 0.267) 11.061 24.673 ( -2.827 -2.600 -0.406) 3.862 24.673 ( -2.827 -2.600 0.406) 3.862 ======================= Grid point 503 (70/74) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.789 ( 1.699 2.068 -10.435) 10.773 5.789 ( 1.699 2.068 10.435) 10.773 6.348 ( 1.821 -5.236 -4.368) 7.058 6.348 ( 1.821 -5.236 4.368) 7.058 7.223 ( -0.893 10.442 -8.777) 13.670 7.223 ( -0.893 10.442 8.777) 13.670 7.678 ( 1.887 19.900 -11.188) 22.907 7.678 ( 1.887 19.900 11.188) 22.907 8.246 ( 0.995 23.643 -3.002) 23.854 8.246 ( 0.995 23.643 3.002) 23.854 8.668 ( 3.564 6.332 -2.985) 7.856 8.668 ( 3.564 6.332 2.985) 7.856 9.389 ( -2.974 9.098 -9.517) 13.498 9.389 ( -2.974 9.098 9.517) 13.498 9.973 ( -5.448 15.960 -9.946) 19.578 9.973 ( -5.448 15.960 9.946) 19.578 10.752 ( -5.021 22.844 -7.792) 24.653 10.752 ( -5.021 22.844 7.792) 24.653 11.276 ( -3.633 2.330 -8.011) 9.099 11.276 ( -3.633 2.330 8.011) 9.099 12.308 ( 6.161 20.172 -5.422) 21.778 12.308 ( 6.161 20.172 5.422) 21.778 12.419 ( 6.339 12.592 -8.793) 16.615 12.419 ( 6.339 12.592 8.793) 16.615 13.025 ( -1.135 -0.673 -6.561) 6.692 13.025 ( -1.135 -0.673 6.561) 6.692 13.958 ( 4.248 -9.129 -7.686) 12.667 13.958 ( 4.248 -9.129 7.686) 12.667 14.674 ( -2.305 15.963 -0.814) 16.149 14.674 ( -2.305 15.963 0.814) 16.149 15.413 ( 9.226 9.734 -6.252) 14.798 15.413 ( 9.226 9.734 6.252) 14.798 16.011 ( 4.981 -1.453 -9.484) 10.811 16.011 ( 4.981 -1.453 9.484) 10.811 16.306 ( 0.696 17.365 -2.190) 17.516 16.306 ( 0.696 17.365 2.190) 17.516 16.786 ( 6.994 -8.007 -2.122) 10.841 16.786 ( 6.994 -8.007 2.123) 10.841 18.446 ( 3.076 -22.691 -1.405) 22.942 18.446 ( 3.076 -22.691 1.405) 22.942 20.723 ( 2.430 1.994 -0.694) 3.220 20.723 ( 2.430 1.994 0.694) 3.220 21.243 ( 1.407 -3.593 -1.064) 4.002 21.243 ( 1.407 -3.593 1.064) 4.002 22.205 ( -3.375 -8.415 -0.437) 9.077 22.205 ( -3.375 -8.415 0.437) 9.077 22.463 ( -3.072 -12.381 -1.253) 12.818 22.463 ( -3.072 -12.381 1.253) 12.818 23.340 ( -0.266 3.136 -0.176) 3.153 23.340 ( -0.266 3.136 0.176) 3.153 23.546 ( -3.652 -9.638 -0.219) 10.309 23.546 ( -3.652 -9.638 0.219) 10.309 24.644 ( -1.732 2.698 -0.205) 3.212 24.644 ( -1.732 2.698 0.205) 3.212 ======================= Grid point 505 (71/74) ======================= q-point: ( 0.39 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.814 ( -0.531 0.919 -8.541) 8.606 5.814 ( -0.531 0.919 8.541) 8.606 6.334 ( 3.759 -6.511 -4.734) 8.885 6.334 ( 3.759 -6.511 4.734) 8.885 7.268 ( -4.808 8.328 -8.190) 12.631 7.268 ( -4.808 8.328 8.190) 12.631 7.796 ( -8.828 15.290 -12.758) 21.782 7.796 ( -8.828 15.290 12.758) 21.782 8.363 ( -10.106 17.504 -1.130) 20.244 8.363 ( -10.106 17.504 1.130) 20.244 8.738 ( -0.509 0.881 -5.134) 5.233 8.738 ( -0.509 0.881 5.134) 5.233 9.400 ( -5.338 9.246 -5.631) 12.070 9.400 ( -5.338 9.246 5.631) 12.070 10.007 ( -8.576 14.855 -2.903) 17.397 10.007 ( -8.576 14.855 2.903) 17.397 10.811 ( -12.679 21.961 -10.472) 27.435 10.811 ( -12.679 21.961 10.472) 27.435 11.272 ( -3.376 5.847 -11.491) 13.328 11.272 ( -3.376 5.847 11.491) 13.328 12.479 ( -11.521 19.955 -3.765) 23.348 12.479 ( -11.521 19.955 3.765) 23.348 12.527 ( 1.140 -1.974 -10.892) 11.128 12.527 ( 1.140 -1.974 10.892) 11.128 12.994 ( 0.172 -0.297 -0.231) 0.414 12.994 ( 0.172 -0.297 0.231) 0.414 13.953 ( 6.022 -10.431 -6.894) 13.878 13.953 ( 6.022 -10.431 6.894) 13.878 14.738 ( -8.867 15.358 -0.236) 17.736 14.738 ( -8.867 15.359 0.236) 17.736 15.520 ( -0.310 0.537 -6.959) 6.987 15.520 ( -0.310 0.537 6.959) 6.987 16.068 ( 4.316 -7.476 -11.454) 14.343 16.068 ( 4.316 -7.476 11.454) 14.343 16.397 ( -10.051 17.408 -1.646) 20.169 16.397 ( -10.051 17.408 1.646) 20.168 16.808 ( 5.954 -10.313 -0.191) 11.910 16.808 ( 5.954 -10.313 0.191) 11.910 18.353 ( 12.790 -22.153 -1.484) 25.623 18.353 ( 12.790 -22.153 1.484) 25.623 20.757 ( -0.144 0.249 -0.262) 0.389 20.757 ( -0.144 0.249 0.262) 0.389 21.242 ( 2.219 -3.844 -1.006) 4.551 21.242 ( 2.219 -3.844 1.006) 4.551 22.128 ( 2.769 -4.795 -0.530) 5.563 22.128 ( 2.769 -4.795 0.530) 5.563 22.374 ( 4.699 -8.139 -0.506) 9.411 22.374 ( 4.699 -8.139 0.506) 9.411 23.359 ( -1.755 3.040 -0.052) 3.511 23.359 ( -1.756 3.040 0.052) 3.511 23.460 ( 3.209 -5.559 -0.030) 6.419 23.460 ( 3.209 -5.559 0.030) 6.419 24.645 ( -2.191 3.795 -0.143) 4.385 24.645 ( -2.191 3.795 0.143) 4.385 ======================= Grid point 539 (72/74) ======================= q-point: ( 0.28 0.28 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.787 ( 1.910 3.308 -9.340) 10.091 5.787 ( 1.910 3.308 9.340) 10.091 6.301 ( -2.506 -4.341 -3.671) 6.213 6.301 ( -2.506 -4.341 3.671) 6.213 7.273 ( 3.731 6.463 -6.502) 9.898 7.273 ( 3.731 6.463 6.502) 9.898 7.762 ( 10.004 17.328 -4.074) 20.419 7.762 ( 10.004 17.328 4.074) 20.419 8.373 ( 12.141 21.029 -2.757) 24.438 8.373 ( 12.141 21.029 2.757) 24.438 8.666 ( 2.900 5.022 -1.464) 5.981 8.666 ( 2.900 5.022 1.464) 5.981 9.454 ( 3.034 5.254 -13.003) 14.348 9.454 ( 3.034 5.254 13.003) 14.348 10.107 ( 4.579 7.930 -12.269) 15.309 10.107 ( 4.579 7.930 12.269) 15.309 10.919 ( 11.406 19.755 -3.362) 23.058 10.919 ( 11.406 19.755 3.362) 23.058 11.337 ( -0.424 -0.735 -1.426) 1.659 11.337 ( -0.424 -0.735 1.426) 1.659 12.201 ( 5.014 8.685 -15.337) 18.324 12.201 ( 5.014 8.685 15.337) 18.324 12.550 ( 12.714 22.022 -4.885) 25.894 12.550 ( 12.714 22.022 4.885) 25.894 13.048 ( 1.049 1.816 -2.607) 3.346 13.048 ( 1.049 1.816 2.607) 3.346 13.866 ( -3.784 -6.554 -7.814) 10.878 13.866 ( -3.784 -6.554 7.814) 10.878 14.780 ( 7.357 12.743 -0.822) 14.737 14.780 ( 7.357 12.743 0.822) 14.737 15.387 ( 9.051 15.677 -6.158) 19.121 15.387 ( 9.051 15.677 6.158) 19.121 15.910 ( -3.872 -6.707 -6.779) 10.292 15.910 ( -3.872 -6.707 6.779) 10.292 16.435 ( 12.223 21.170 -2.314) 24.554 16.435 ( 12.223 21.170 2.314) 24.554 16.679 ( -1.373 -2.378 -2.031) 3.415 16.679 ( -1.373 -2.378 2.031) 3.415 18.292 ( -11.076 -19.185 -1.191) 22.185 18.292 ( -11.076 -19.185 1.191) 22.184 20.711 ( 1.684 2.916 -0.784) 3.458 20.711 ( 1.684 2.916 0.784) 3.458 21.214 ( -1.323 -2.291 -0.462) 2.686 21.214 ( -1.323 -2.291 0.462) 2.686 22.194 ( -4.883 -8.458 -0.365) 9.774 22.194 ( -4.883 -8.458 0.365) 9.774 22.428 ( -6.916 -11.979 -1.469) 13.910 22.428 ( -6.916 -11.979 1.469) 13.910 23.358 ( 1.270 2.199 -0.256) 2.552 23.358 ( 1.270 2.199 0.256) 2.552 23.530 ( -5.510 -9.544 -0.223) 11.023 23.530 ( -5.510 -9.544 0.223) 11.023 24.672 ( 0.814 1.410 -0.197) 1.640 24.672 ( 0.814 1.410 0.197) 1.640 ======================= Grid point 541 (73/74) ======================= q-point: ( 0.33 0.28 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.841 ( 0.305 3.012 -4.299) 5.258 5.841 ( 0.305 3.012 4.299) 5.258 6.223 ( 0.586 -6.341 -2.815) 6.962 6.223 ( 0.586 -6.341 2.815) 6.962 7.363 ( 0.180 4.670 -3.995) 6.149 7.363 ( 0.180 4.670 3.995) 6.149 8.012 ( 0.757 13.539 -3.565) 14.021 8.012 ( 0.757 13.539 3.565) 14.021 8.565 ( -0.376 2.168 -12.695) 12.884 8.565 ( -0.376 2.168 12.695) 12.884 8.802 ( 0.501 13.339 -3.216) 13.730 8.802 ( 0.501 13.339 3.216) 13.730 9.511 ( -0.752 3.322 -14.404) 14.802 9.511 ( -0.752 3.322 14.404) 14.802 10.214 ( -1.408 8.777 -3.744) 9.645 10.214 ( -1.408 8.777 3.744) 9.645 11.142 ( -4.509 12.249 -5.912) 14.329 11.142 ( -4.509 12.249 5.912) 14.329 11.406 ( 0.536 11.969 -6.380) 13.574 11.406 ( 0.536 11.969 6.380) 13.574 12.319 ( 6.182 -4.061 -13.630) 15.508 12.319 ( 6.182 -4.061 13.630) 15.508 12.820 ( -0.223 10.770 -5.185) 11.955 12.820 ( -0.223 10.770 5.186) 11.955 13.074 ( -2.873 8.123 -2.725) 9.037 13.074 ( -2.873 8.123 2.725) 9.037 13.777 ( 2.048 -8.169 -6.257) 10.492 13.777 ( 2.048 -8.169 6.257) 10.492 14.993 ( -0.656 16.094 -0.711) 16.123 14.993 ( -0.656 16.094 0.711) 16.123 15.535 ( -0.986 0.756 -4.578) 4.744 15.535 ( -0.986 0.756 4.578) 4.744 15.852 ( 6.232 -7.517 -6.039) 11.481 15.852 ( 6.232 -7.517 6.039) 11.481 16.576 ( 0.950 -6.021 -2.118) 6.453 16.576 ( 0.950 -6.021 2.118) 6.453 16.845 ( -0.567 26.330 -0.685) 26.345 16.845 ( -0.567 26.330 0.685) 26.345 17.959 ( 1.619 -26.992 -1.172) 27.066 17.959 ( 1.619 -26.992 1.172) 27.066 20.756 ( 0.892 1.208 -0.065) 1.503 20.756 ( 0.892 1.208 0.065) 1.503 21.188 ( 0.552 -1.975 -0.409) 2.091 21.188 ( 0.552 -1.975 0.409) 2.091 22.069 ( -1.327 -5.062 -0.435) 5.251 22.069 ( -1.327 -5.062 0.435) 5.251 22.258 ( -0.829 -7.962 -0.575) 8.026 22.258 ( -0.829 -7.962 0.575) 8.026 23.370 ( -0.215 -3.381 -0.247) 3.397 23.370 ( -0.215 -3.381 0.247) 3.397 23.418 ( -0.918 -0.047 -0.102) 0.925 23.418 ( -0.918 -0.047 0.102) 0.925 24.698 ( -0.353 2.356 -0.091) 2.384 24.698 ( -0.353 2.356 0.091) 2.384 ======================= Grid point 577 (74/74) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.880 ( -0.000 -0.000 0.000) 0.000 5.880 ( -0.000 -0.000 0.000) 0.000 6.149 ( -0.000 -0.000 -0.344) 0.344 6.149 ( -0.000 -0.000 0.344) 0.344 7.409 ( -0.000 -0.000 -0.000) 0.000 7.409 ( -0.000 -0.000 0.000) 0.000 8.165 ( -0.000 -0.000 -0.000) 0.000 8.165 ( -0.000 -0.000 0.000) 0.000 8.530 ( -0.000 -0.000 -14.575) 14.575 8.530 ( -0.000 -0.000 14.575) 14.575 8.980 ( -0.000 -0.000 0.000) 0.000 8.980 ( -0.000 -0.000 0.000) 0.000 9.534 ( -0.000 -0.000 -20.010) 20.010 9.534 ( -0.000 -0.000 20.010) 20.010 10.302 ( -0.000 -0.000 -0.000) 0.000 10.302 ( -0.000 -0.000 0.000) 0.000 11.244 ( -0.000 -0.000 0.000) 0.000 11.244 ( -0.000 -0.000 0.000) 0.000 11.572 ( -0.000 -0.000 -0.000) 0.000 11.572 ( -0.000 -0.000 -0.000) 0.000 12.267 ( -0.000 -0.000 -12.595) 12.595 12.267 ( -0.000 -0.000 12.595) 12.595 12.876 ( -0.000 -0.000 -0.000) 0.000 12.876 ( -0.000 -0.000 0.000) 0.000 13.205 ( -0.000 -0.000 -0.000) 0.000 13.205 ( -0.000 -0.000 0.000) 0.000 13.689 ( -0.000 -0.000 -5.732) 5.732 13.689 ( -0.000 -0.000 5.733) 5.733 15.217 ( -0.000 -0.000 0.000) 0.000 15.217 ( -0.000 -0.000 0.000) 0.000 15.456 ( -0.000 -0.000 -0.701) 0.701 15.456 ( 0.000 0.000 0.701) 0.701 15.803 ( -0.000 -0.000 -0.000) 0.000 15.803 ( -0.000 -0.000 0.000) 0.000 16.489 ( -0.000 -0.000 -1.639) 1.639 16.489 ( -0.000 -0.000 1.639) 1.639 17.373 ( -0.002 -0.004 -0.000) 0.005 17.373 ( 0.000 0.001 0.000) 0.001 17.439 ( -0.001 -0.001 0.000) 0.001 17.439 ( 0.002 0.004 0.000) 0.004 20.768 ( -0.000 -0.000 -0.018) 0.018 20.768 ( -0.000 -0.000 0.018) 0.018 21.169 ( -0.000 -0.000 -0.000) 0.000 21.169 ( -0.000 -0.000 0.000) 0.000 22.019 ( -0.000 -0.000 -0.344) 0.344 22.019 ( -0.000 -0.000 0.344) 0.344 22.177 ( -0.000 -0.000 0.000) 0.000 22.177 ( -0.000 -0.000 0.000) 0.000 23.321 ( -0.000 -0.000 0.000) 0.000 23.321 ( -0.000 -0.000 0.000) 0.000 23.433 ( -0.000 -0.000 0.000) 0.000 23.433 ( -0.000 -0.000 0.000) 0.000 24.723 ( -0.000 -0.000 0.000) 0.000 24.723 ( -0.000 -0.000 0.000) 0.000 =================== 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 3/34992 10.0 71197.699 71197.699 7537.203 0.000 -0.000 0.000 3/34992 20.0 30011.593 30011.593 12511.583 0.000 -0.000 0.000 3/34992 30.0 7321.572 7321.572 3692.589 0.000 -0.000 0.000 3/34992 40.0 2613.438 2613.438 1386.147 0.000 -0.000 0.000 3/34992 50.0 1278.376 1278.376 667.386 0.000 -0.000 0.000 3/34992 60.0 749.909 749.909 382.355 0.000 -0.000 0.000 3/34992 70.0 491.667 491.667 246.445 0.000 -0.000 0.000 3/34992 80.0 347.790 347.790 172.313 0.000 -0.000 0.000 3/34992 90.0 260.144 260.144 127.778 0.000 -0.000 0.000 3/34992 100.0 203.112 203.112 99.053 0.000 -0.000 0.000 3/34992 110.0 164.044 164.044 79.490 0.000 -0.000 0.000 3/34992 120.0 136.151 136.151 65.582 0.000 -0.000 0.000 3/34992 130.0 115.543 115.543 55.342 0.000 -0.000 0.000 3/34992 140.0 99.873 99.873 47.581 0.000 -0.000 0.000 3/34992 150.0 87.663 87.663 41.551 0.000 -0.000 0.000 3/34992 160.0 77.947 77.947 36.766 0.000 -0.000 0.000 3/34992 170.0 70.073 70.073 32.900 0.000 -0.000 0.000 3/34992 180.0 63.589 63.589 29.726 0.000 -0.000 0.000 3/34992 190.0 58.174 58.174 27.082 0.000 -0.000 0.000 3/34992 200.0 53.596 53.596 24.853 0.000 -0.000 0.000 3/34992 210.0 49.682 49.682 22.953 0.000 -0.000 0.000 3/34992 220.0 46.303 46.303 21.317 0.000 -0.000 0.000 3/34992 230.0 43.359 43.359 19.896 0.000 -0.000 0.000 3/34992 240.0 40.774 40.774 18.652 0.000 -0.000 0.000 3/34992 250.0 38.487 38.487 17.554 0.000 -0.000 0.000 3/34992 260.0 36.451 36.451 16.580 0.000 -0.000 0.000 3/34992 270.0 34.627 34.627 15.709 0.000 -0.000 0.000 3/34992 280.0 32.984 32.984 14.926 0.000 -0.000 0.000 3/34992 290.0 31.497 31.497 14.220 0.000 -0.000 0.000 3/34992 300.0 30.144 30.144 13.579 0.000 -0.000 0.000 3/34992 310.0 28.908 28.908 12.995 0.000 -0.000 0.000 3/34992 320.0 27.775 27.775 12.460 0.000 -0.000 0.000 3/34992 330.0 26.731 26.731 11.970 0.000 -0.000 0.000 3/34992 340.0 25.768 25.768 11.518 0.000 -0.000 0.000 3/34992 350.0 24.875 24.875 11.100 0.000 -0.000 0.000 3/34992 360.0 24.045 24.045 10.712 0.000 -0.000 0.000 3/34992 370.0 23.272 23.272 10.352 0.000 -0.000 0.000 3/34992 380.0 22.550 22.550 10.016 -0.000 -0.000 0.000 3/34992 390.0 21.873 21.873 9.702 -0.000 -0.000 0.000 3/34992 400.0 21.239 21.239 9.408 -0.000 -0.000 0.000 3/34992 410.0 20.641 20.641 9.132 -0.000 -0.000 0.000 3/34992 420.0 20.079 20.079 8.873 -0.000 -0.000 0.000 3/34992 430.0 19.548 19.548 8.628 -0.000 -0.000 0.000 3/34992 440.0 19.045 19.045 8.397 -0.000 -0.000 0.000 3/34992 450.0 18.569 18.569 8.179 -0.000 -0.000 0.000 3/34992 460.0 18.117 18.117 7.972 -0.000 -0.000 0.000 3/34992 470.0 17.688 17.688 7.776 -0.000 -0.000 0.000 3/34992 480.0 17.280 17.280 7.589 -0.000 -0.000 0.000 3/34992 490.0 16.891 16.891 7.412 -0.000 -0.000 0.000 3/34992 500.0 16.520 16.520 7.243 -0.000 -0.000 0.000 3/34992 510.0 16.165 16.165 7.082 -0.000 -0.000 0.000 3/34992 520.0 15.826 15.826 6.928 -0.000 -0.000 0.000 3/34992 530.0 15.502 15.502 6.781 -0.000 -0.000 0.000 3/34992 540.0 15.191 15.191 6.641 -0.000 -0.000 0.000 3/34992 550.0 14.892 14.892 6.506 -0.000 -0.000 0.000 3/34992 560.0 14.606 14.606 6.377 -0.000 -0.000 0.000 3/34992 570.0 14.331 14.331 6.253 -0.000 -0.000 0.000 3/34992 580.0 14.067 14.067 6.134 -0.000 -0.000 0.000 3/34992 590.0 13.812 13.812 6.019 -0.000 -0.000 0.000 3/34992 600.0 13.567 13.567 5.909 -0.000 -0.000 0.000 3/34992 610.0 13.330 13.330 5.803 -0.000 -0.000 0.000 3/34992 620.0 13.102 13.102 5.701 -0.000 -0.000 0.000 3/34992 630.0 12.882 12.882 5.603 -0.000 -0.000 0.000 3/34992 640.0 12.669 12.669 5.508 -0.000 -0.000 0.000 3/34992 650.0 12.464 12.464 5.416 -0.000 -0.000 0.000 3/34992 660.0 12.265 12.265 5.327 -0.000 -0.000 0.000 3/34992 670.0 12.073 12.073 5.241 -0.000 -0.000 0.000 3/34992 680.0 11.886 11.886 5.158 -0.000 -0.000 0.000 3/34992 690.0 11.706 11.706 5.078 -0.000 -0.000 0.000 3/34992 700.0 11.531 11.531 5.000 -0.000 -0.000 0.000 3/34992 710.0 11.361 11.361 4.925 -0.000 -0.000 0.000 3/34992 720.0 11.197 11.197 4.852 -0.000 -0.000 0.000 3/34992 730.0 11.037 11.037 4.781 -0.000 -0.000 0.000 3/34992 740.0 10.882 10.882 4.712 -0.000 -0.000 0.000 3/34992 750.0 10.731 10.731 4.645 -0.000 -0.000 0.000 3/34992 760.0 10.584 10.584 4.581 -0.000 -0.000 0.000 3/34992 770.0 10.442 10.442 4.518 -0.000 -0.000 0.000 3/34992 780.0 10.303 10.303 4.456 -0.000 -0.000 0.000 3/34992 790.0 10.168 10.168 4.397 -0.000 -0.000 0.000 3/34992 800.0 10.037 10.037 4.339 -0.000 -0.000 0.000 3/34992 810.0 9.909 9.909 4.282 -0.000 -0.000 0.000 3/34992 820.0 9.784 9.784 4.227 -0.000 -0.000 0.000 3/34992 830.0 9.663 9.663 4.174 -0.000 -0.000 0.000 3/34992 840.0 9.544 9.544 4.122 -0.000 -0.000 0.000 3/34992 850.0 9.429 9.429 4.071 -0.000 -0.000 0.000 3/34992 860.0 9.316 9.316 4.021 -0.000 -0.000 0.000 3/34992 870.0 9.206 9.206 3.973 -0.000 -0.000 0.000 3/34992 880.0 9.098 9.098 3.926 -0.000 -0.000 0.000 3/34992 890.0 8.993 8.993 3.879 -0.000 -0.000 0.000 3/34992 900.0 8.891 8.891 3.834 -0.000 -0.000 0.000 3/34992 910.0 8.791 8.791 3.791 -0.000 -0.000 0.000 3/34992 920.0 8.693 8.693 3.748 -0.000 -0.000 0.000 3/34992 930.0 8.597 8.597 3.706 -0.000 -0.000 0.000 3/34992 940.0 8.504 8.504 3.665 -0.000 -0.000 0.000 3/34992 950.0 8.412 8.412 3.625 -0.000 -0.000 0.000 3/34992 960.0 8.322 8.322 3.585 -0.000 -0.000 0.000 3/34992 970.0 8.235 8.235 3.547 -0.000 -0.000 0.000 3/34992 980.0 8.149 8.149 3.509 -0.000 -0.000 0.000 3/34992 990.0 8.065 8.065 3.473 -0.000 -0.000 0.000 3/34992 1000.0 7.983 7.983 3.437 -0.000 -0.000 0.000 3/34992 Thermal conductivity related properties were written into "kappa-m18182.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:49:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|