----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:44:04]------------------------- 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: [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.680487015000000 3.680487015000000 3.267005380000000 b 3.680487015000000 -3.680487015000000 3.267005380000000 c 3.680487015000000 3.680487015000000 -3.267005380000000 Atomic positions (fractional): *1 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 2 La 0.75000000000000 0.25000000000000 0.50000000000000 138.905 *3 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 4 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 *5 O 0.51266609253337 0.33463406991426 0.17803202261911 15.999 6 O 0.66536593008574 0.84339795270485 0.17803202261911 15.999 7 O 0.08463406991426 0.40660204729515 0.32196797738089 15.999 8 O 0.66536593008574 0.48733390746663 0.82196797738089 15.999 9 O 0.59339795270485 0.91536593008574 0.67803202261911 15.999 10 O 0.23733390746663 0.91536593008574 0.32196797738089 15.999 11 O 0.15660204729515 0.33463406991426 0.82196797738089 15.999 12 O 0.08463406991426 0.76266609253337 0.67803202261911 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.360974030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.360974030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.534010760000000 Atomic positions (fractional): *1 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 1 2 La 0.50000000000000 0.00000000000000 0.75000000000000 138.905 > 2 3 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 > 1 4 La 0.00000000000000 0.50000000000000 0.25000000000000 138.905 > 2 *5 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 3 6 As 0.00000000000000 0.50000000000000 0.75000000000000 74.922 > 4 7 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 3 8 As 0.50000000000000 0.00000000000000 0.25000000000000 74.922 > 4 *9 O 0.00000000000000 0.17803202261911 0.33463406991426 15.999 > 5 10 O 0.17803202261911 0.00000000000000 0.66536593008574 15.999 > 6 11 O 0.82196797738089 0.50000000000000 0.58463406991426 15.999 > 7 12 O 0.32196797738089 0.50000000000000 0.16536593008574 15.999 > 8 13 O 0.00000000000000 0.67803202261911 0.91536593008574 15.999 > 9 14 O 0.00000000000000 0.32196797738089 0.91536593008574 15.999 > 10 15 O 0.50000000000000 0.32196797738089 0.83463406991426 15.999 > 11 16 O 0.17803202261911 0.50000000000000 0.58463406991426 15.999 > 12 17 O 0.50000000000000 0.67803202261911 0.83463406991426 15.999 > 5 18 O 0.67803202261911 0.50000000000000 0.16536593008574 15.999 > 6 19 O 0.32196797738089 0.00000000000000 0.08463406991426 15.999 > 7 20 O 0.82196797738089 0.00000000000000 0.66536593008574 15.999 > 8 21 O 0.50000000000000 0.17803202261911 0.41536593008574 15.999 > 9 22 O 0.50000000000000 0.82196797738089 0.41536593008574 15.999 > 10 23 O 0.00000000000000 0.82196797738089 0.33463406991426 15.999 > 11 24 O 0.67803202261911 0.00000000000000 0.08463406991426 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.360974030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.360974030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.068021520000000 Atomic positions (fractional): *1 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 1 2 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 1 3 La 0.50000000000000 0.00000000000000 0.37500000000000 138.905 > 2 4 La 0.50000000000000 0.00000000000000 0.87500000000000 138.905 > 2 5 La 0.50000000000000 0.50000000000000 0.25000000000000 138.905 > 1 6 La 0.50000000000000 0.50000000000000 0.75000000000000 138.905 > 1 7 La 0.00000000000000 0.50000000000000 0.12500000000000 138.905 > 2 8 La 0.00000000000000 0.50000000000000 0.62500000000000 138.905 > 2 *9 As 0.00000000000000 0.00000000000000 0.25000000000000 74.922 > 3 10 As 0.00000000000000 0.00000000000000 0.75000000000000 74.922 > 3 11 As 0.00000000000000 0.50000000000000 0.37500000000000 74.922 > 4 12 As 0.00000000000000 0.50000000000000 0.87500000000000 74.922 > 4 13 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 3 14 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 3 15 As 0.50000000000000 0.00000000000000 0.12500000000000 74.922 > 4 16 As 0.50000000000000 0.00000000000000 0.62500000000000 74.922 > 4 *17 O 0.00000000000000 0.17803202261911 0.16731703495713 15.999 > 5 18 O 0.00000000000000 0.17803202261911 0.66731703495713 15.999 > 5 19 O 0.17803202261911 0.00000000000000 0.33268296504287 15.999 > 6 20 O 0.17803202261911 0.00000000000000 0.83268296504287 15.999 > 6 21 O 0.82196797738089 0.50000000000000 0.29231703495713 15.999 > 7 22 O 0.82196797738089 0.50000000000000 0.79231703495713 15.999 > 7 23 O 0.32196797738089 0.50000000000000 0.08268296504287 15.999 > 8 24 O 0.32196797738089 0.50000000000000 0.58268296504287 15.999 > 8 25 O 0.00000000000000 0.67803202261911 0.45768296504287 15.999 > 9 26 O 0.00000000000000 0.67803202261911 0.95768296504287 15.999 > 9 27 O 0.00000000000000 0.32196797738089 0.45768296504287 15.999 > 10 28 O 0.00000000000000 0.32196797738089 0.95768296504287 15.999 > 10 29 O 0.50000000000000 0.32196797738089 0.41731703495713 15.999 > 11 30 O 0.50000000000000 0.32196797738089 0.91731703495713 15.999 > 11 31 O 0.17803202261911 0.50000000000000 0.29231703495713 15.999 > 12 32 O 0.17803202261911 0.50000000000000 0.79231703495713 15.999 > 12 33 O 0.50000000000000 0.67803202261911 0.41731703495713 15.999 > 5 34 O 0.50000000000000 0.67803202261911 0.91731703495713 15.999 > 5 35 O 0.67803202261911 0.50000000000000 0.08268296504287 15.999 > 6 36 O 0.67803202261911 0.50000000000000 0.58268296504287 15.999 > 6 37 O 0.32196797738089 0.00000000000000 0.04231703495713 15.999 > 7 38 O 0.32196797738089 0.00000000000000 0.54231703495713 15.999 > 7 39 O 0.82196797738089 0.00000000000000 0.33268296504287 15.999 > 8 40 O 0.82196797738089 0.00000000000000 0.83268296504287 15.999 > 8 41 O 0.50000000000000 0.17803202261911 0.20768296504287 15.999 > 9 42 O 0.50000000000000 0.17803202261911 0.70768296504287 15.999 > 9 43 O 0.50000000000000 0.82196797738089 0.20768296504287 15.999 > 10 44 O 0.50000000000000 0.82196797738089 0.70768296504287 15.999 > 10 45 O 0.00000000000000 0.82196797738089 0.16731703495713 15.999 > 11 46 O 0.00000000000000 0.82196797738089 0.66731703495713 15.999 > 11 47 O 0.67803202261911 0.00000000000000 0.04231703495713 15.999 > 12 48 O 0.67803202261911 0.00000000000000 0.54231703495713 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4331453 0.0000000 0.0000000 0.0000000 3.4331453 0.0000000 0.0000000 0.0000000 3.8307946 -------------------------- Born effective charges -------------------------- 1 La 4.5165568 0.0000000 0.0000000 0.0000000 4.5165568 0.0000000 0.0000000 0.0000000 4.9011020 2 La 4.5165568 0.0000000 0.0000000 0.0000000 4.5165568 0.0000000 0.0000000 0.0000000 4.9011020 3 As 3.1996126 0.0000000 0.0000000 0.0000000 3.1996126 0.0000000 0.0000000 0.0000000 4.2331184 4 As 3.1996126 0.0000000 0.0000000 0.0000000 3.1996126 0.0000000 0.0000000 0.0000000 4.2331184 5 O -1.1472460 0.0000000 0.0000000 0.0000000 -2.7108386 0.5857512 0.0000000 0.4964505 -2.2835551 6 O -2.7108386 0.0000000 -0.5857512 0.0000000 -1.1472460 0.0000000 -0.4964505 0.0000000 -2.2835551 7 O -2.7108386 0.0000000 -0.5857512 0.0000000 -1.1472460 0.0000000 -0.4964505 0.0000000 -2.2835551 8 O -2.7108386 0.0000000 0.5857512 0.0000000 -1.1472460 0.0000000 0.4964505 0.0000000 -2.2835551 9 O -1.1472460 0.0000000 0.0000000 0.0000000 -2.7108386 -0.5857512 0.0000000 -0.4964505 -2.2835551 10 O -1.1472460 0.0000000 0.0000000 0.0000000 -2.7108386 0.5857512 0.0000000 0.4964505 -2.2835551 11 O -1.1472460 0.0000000 0.0000000 0.0000000 -2.7108386 -0.5857512 0.0000000 -0.4964505 -2.2835551 12 O -2.7108386 0.0000000 0.5857512 0.0000000 -1.1472460 0.0000000 0.4964505 0.0000000 -2.2835551 ---------------------------------------------------------------------------- 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: 144/144 Permutation basis: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 217 Number of blocks in projector: 225 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 6 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 6 Use standard eigh solver. Tree of FC basis block matrices: - (217, 208), data: False |-- (6, 6), data: True |-- (6, 6), data: True |-- (51, 48), data: True |-- (64, 62), data: True |-- (90, 86), data: True ----- Solver_atoms: 1 -- 48 / 48 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 160 - Time: 0.062 Solver_block: 160 / 160 - Time: 0.035 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.099 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 144/144 Permutation basis: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 217 Number of blocks in projector: 225 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 6 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 6 Use standard eigh solver. Tree of FC basis block matrices: - (217, 208), data: False |-- (6, 6), data: True |-- (6, 6), data: True |-- (51, 48), data: True |-- (64, 62), data: True |-- (90, 86), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:44:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:44:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.680487015000000 3.680487015000000 3.267005380000000 b 3.680487015000000 -3.680487015000000 3.267005380000000 c 3.680487015000000 3.680487015000000 -3.267005380000000 Atomic positions (fractional): 1 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 2 La 0.75000000000000 0.25000000000000 0.50000000000000 138.905 3 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 4 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 5 O 0.51266609253337 0.33463406991426 0.17803202261911 15.999 6 O 0.66536593008574 0.84339795270485 0.17803202261911 15.999 7 O 0.08463406991426 0.40660204729515 0.32196797738089 15.999 8 O 0.66536593008574 0.48733390746663 0.82196797738089 15.999 9 O 0.59339795270485 0.91536593008574 0.67803202261911 15.999 10 O 0.23733390746663 0.91536593008574 0.32196797738089 15.999 11 O 0.15660204729515 0.33463406991426 0.82196797738089 15.999 12 O 0.08463406991426 0.76266609253337 0.67803202261911 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.360974030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.360974030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.068021520000000 Atomic positions (fractional): 1 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 1 2 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 1 3 La 0.50000000000000 0.00000000000000 0.37500000000000 138.905 > 3 4 La 0.50000000000000 0.00000000000000 0.87500000000000 138.905 > 3 5 La 0.50000000000000 0.50000000000000 0.25000000000000 138.905 > 1 6 La 0.50000000000000 0.50000000000000 0.75000000000000 138.905 > 1 7 La 0.00000000000000 0.50000000000000 0.12500000000000 138.905 > 3 8 La 0.00000000000000 0.50000000000000 0.62500000000000 138.905 > 3 9 As 0.00000000000000 0.00000000000000 0.25000000000000 74.922 > 9 10 As 0.00000000000000 0.00000000000000 0.75000000000000 74.922 > 9 11 As 0.00000000000000 0.50000000000000 0.37500000000000 74.922 > 11 12 As 0.00000000000000 0.50000000000000 0.87500000000000 74.922 > 11 13 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 9 14 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 9 15 As 0.50000000000000 0.00000000000000 0.12500000000000 74.922 > 11 16 As 0.50000000000000 0.00000000000000 0.62500000000000 74.922 > 11 17 O 0.00000000000000 0.17803202261911 0.16731703495713 15.999 > 17 18 O 0.00000000000000 0.17803202261911 0.66731703495713 15.999 > 17 19 O 0.17803202261911 0.00000000000000 0.33268296504287 15.999 > 19 20 O 0.17803202261911 0.00000000000000 0.83268296504287 15.999 > 19 21 O 0.82196797738089 0.50000000000000 0.29231703495713 15.999 > 21 22 O 0.82196797738089 0.50000000000000 0.79231703495713 15.999 > 21 23 O 0.32196797738089 0.50000000000000 0.08268296504287 15.999 > 23 24 O 0.32196797738089 0.50000000000000 0.58268296504287 15.999 > 23 25 O 0.00000000000000 0.67803202261911 0.45768296504287 15.999 > 25 26 O 0.00000000000000 0.67803202261911 0.95768296504287 15.999 > 25 27 O 0.00000000000000 0.32196797738089 0.45768296504287 15.999 > 27 28 O 0.00000000000000 0.32196797738089 0.95768296504287 15.999 > 27 29 O 0.50000000000000 0.32196797738089 0.41731703495713 15.999 > 29 30 O 0.50000000000000 0.32196797738089 0.91731703495713 15.999 > 29 31 O 0.17803202261911 0.50000000000000 0.29231703495713 15.999 > 31 32 O 0.17803202261911 0.50000000000000 0.79231703495713 15.999 > 31 33 O 0.50000000000000 0.67803202261911 0.41731703495713 15.999 > 17 34 O 0.50000000000000 0.67803202261911 0.91731703495713 15.999 > 17 35 O 0.67803202261911 0.50000000000000 0.08268296504287 15.999 > 19 36 O 0.67803202261911 0.50000000000000 0.58268296504287 15.999 > 19 37 O 0.32196797738089 0.00000000000000 0.04231703495713 15.999 > 21 38 O 0.32196797738089 0.00000000000000 0.54231703495713 15.999 > 21 39 O 0.82196797738089 0.00000000000000 0.33268296504287 15.999 > 23 40 O 0.82196797738089 0.00000000000000 0.83268296504287 15.999 > 23 41 O 0.50000000000000 0.17803202261911 0.20768296504287 15.999 > 25 42 O 0.50000000000000 0.17803202261911 0.70768296504287 15.999 > 25 43 O 0.50000000000000 0.82196797738089 0.20768296504287 15.999 > 27 44 O 0.50000000000000 0.82196797738089 0.70768296504287 15.999 > 27 45 O 0.00000000000000 0.82196797738089 0.16731703495713 15.999 > 29 46 O 0.00000000000000 0.82196797738089 0.66731703495713 15.999 > 29 47 O 0.67803202261911 0.00000000000000 0.04231703495713 15.999 > 31 48 O 0.67803202261911 0.00000000000000 0.54231703495713 15.999 > 31 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4331453 0.0000000 0.0000000 0.0000000 3.4331453 0.0000000 0.0000000 0.0000000 3.8307946 -------------------------- Born effective charges -------------------------- 1 La 4.5165568 0.0000000 0.0000000 0.0000000 4.5165568 0.0000000 0.0000000 0.0000000 4.9011020 2 La 4.5165568 0.0000000 0.0000000 0.0000000 4.5165568 0.0000000 0.0000000 0.0000000 4.9011020 3 As 3.1996126 0.0000000 0.0000000 0.0000000 3.1996126 0.0000000 0.0000000 0.0000000 4.2331184 4 As 3.1996126 0.0000000 0.0000000 0.0000000 3.1996126 0.0000000 0.0000000 0.0000000 4.2331184 5 O -1.1472460 0.0000000 0.0000000 0.0000000 -2.7108386 0.5857512 0.0000000 0.4964505 -2.2835551 6 O -2.7108386 0.0000000 -0.5857512 0.0000000 -1.1472460 0.0000000 -0.4964505 0.0000000 -2.2835551 7 O -2.7108386 0.0000000 -0.5857512 0.0000000 -1.1472460 0.0000000 -0.4964505 0.0000000 -2.2835551 8 O -2.7108386 0.0000000 0.5857512 0.0000000 -1.1472460 0.0000000 0.4964505 0.0000000 -2.2835551 9 O -1.1472460 0.0000000 0.0000000 0.0000000 -2.7108386 -0.5857512 0.0000000 -0.4964505 -2.2835551 10 O -1.1472460 0.0000000 0.0000000 0.0000000 -2.7108386 0.5857512 0.0000000 0.4964505 -2.2835551 11 O -1.1472460 0.0000000 0.0000000 0.0000000 -2.7108386 -0.5857512 0.0000000 -0.4964505 -2.2835551 12 O -2.7108386 0.0000000 0.5857512 0.0000000 -1.1472460 0.0000000 0.4964505 0.0000000 -2.2835551 ---------------------------------------------------------------------------- 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[ 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (yzy) 0.00000004 (yzy) 0.00000004 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 2026-01-09 02:44:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:44:11]------------------------- 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): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.680487015000000 3.680487015000000 3.267005380000000 b 3.680487015000000 -3.680487015000000 3.267005380000000 c 3.680487015000000 3.680487015000000 -3.267005380000000 Atomic positions (fractional): 1 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 2 La 0.75000000000000 0.25000000000000 0.50000000000000 138.905 3 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 4 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 5 O 0.51266609253337 0.33463406991426 0.17803202261911 15.999 6 O 0.66536593008574 0.84339795270485 0.17803202261911 15.999 7 O 0.08463406991426 0.40660204729515 0.32196797738089 15.999 8 O 0.66536593008574 0.48733390746663 0.82196797738089 15.999 9 O 0.59339795270485 0.91536593008574 0.67803202261911 15.999 10 O 0.23733390746663 0.91536593008574 0.32196797738089 15.999 11 O 0.15660204729515 0.33463406991426 0.82196797738089 15.999 12 O 0.08463406991426 0.76266609253337 0.67803202261911 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.360974030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.360974030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.068021520000000 Atomic positions (fractional): 1 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 1 2 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 1 3 La 0.50000000000000 0.00000000000000 0.37500000000000 138.905 > 3 4 La 0.50000000000000 0.00000000000000 0.87500000000000 138.905 > 3 5 La 0.50000000000000 0.50000000000000 0.25000000000000 138.905 > 1 6 La 0.50000000000000 0.50000000000000 0.75000000000000 138.905 > 1 7 La 0.00000000000000 0.50000000000000 0.12500000000000 138.905 > 3 8 La 0.00000000000000 0.50000000000000 0.62500000000000 138.905 > 3 9 As 0.00000000000000 0.00000000000000 0.25000000000000 74.922 > 9 10 As 0.00000000000000 0.00000000000000 0.75000000000000 74.922 > 9 11 As 0.00000000000000 0.50000000000000 0.37500000000000 74.922 > 11 12 As 0.00000000000000 0.50000000000000 0.87500000000000 74.922 > 11 13 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 9 14 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 9 15 As 0.50000000000000 0.00000000000000 0.12500000000000 74.922 > 11 16 As 0.50000000000000 0.00000000000000 0.62500000000000 74.922 > 11 17 O 0.00000000000000 0.17803202261911 0.16731703495713 15.999 > 17 18 O 0.00000000000000 0.17803202261911 0.66731703495713 15.999 > 17 19 O 0.17803202261911 0.00000000000000 0.33268296504287 15.999 > 19 20 O 0.17803202261911 0.00000000000000 0.83268296504287 15.999 > 19 21 O 0.82196797738089 0.50000000000000 0.29231703495713 15.999 > 21 22 O 0.82196797738089 0.50000000000000 0.79231703495713 15.999 > 21 23 O 0.32196797738089 0.50000000000000 0.08268296504287 15.999 > 23 24 O 0.32196797738089 0.50000000000000 0.58268296504287 15.999 > 23 25 O 0.00000000000000 0.67803202261911 0.45768296504287 15.999 > 25 26 O 0.00000000000000 0.67803202261911 0.95768296504287 15.999 > 25 27 O 0.00000000000000 0.32196797738089 0.45768296504287 15.999 > 27 28 O 0.00000000000000 0.32196797738089 0.95768296504287 15.999 > 27 29 O 0.50000000000000 0.32196797738089 0.41731703495713 15.999 > 29 30 O 0.50000000000000 0.32196797738089 0.91731703495713 15.999 > 29 31 O 0.17803202261911 0.50000000000000 0.29231703495713 15.999 > 31 32 O 0.17803202261911 0.50000000000000 0.79231703495713 15.999 > 31 33 O 0.50000000000000 0.67803202261911 0.41731703495713 15.999 > 17 34 O 0.50000000000000 0.67803202261911 0.91731703495713 15.999 > 17 35 O 0.67803202261911 0.50000000000000 0.08268296504287 15.999 > 19 36 O 0.67803202261911 0.50000000000000 0.58268296504287 15.999 > 19 37 O 0.32196797738089 0.00000000000000 0.04231703495713 15.999 > 21 38 O 0.32196797738089 0.00000000000000 0.54231703495713 15.999 > 21 39 O 0.82196797738089 0.00000000000000 0.33268296504287 15.999 > 23 40 O 0.82196797738089 0.00000000000000 0.83268296504287 15.999 > 23 41 O 0.50000000000000 0.17803202261911 0.20768296504287 15.999 > 25 42 O 0.50000000000000 0.17803202261911 0.70768296504287 15.999 > 25 43 O 0.50000000000000 0.82196797738089 0.20768296504287 15.999 > 27 44 O 0.50000000000000 0.82196797738089 0.70768296504287 15.999 > 27 45 O 0.00000000000000 0.82196797738089 0.16731703495713 15.999 > 29 46 O 0.00000000000000 0.82196797738089 0.66731703495713 15.999 > 29 47 O 0.67803202261911 0.00000000000000 0.04231703495713 15.999 > 31 48 O 0.67803202261911 0.00000000000000 0.54231703495713 15.999 > 31 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4331453 0.0000000 0.0000000 0.0000000 3.4331453 0.0000000 0.0000000 0.0000000 3.8307946 -------------------------- Born effective charges -------------------------- 1 La 4.5165568 0.0000000 0.0000000 0.0000000 4.5165568 0.0000000 0.0000000 0.0000000 4.9011020 2 La 4.5165568 0.0000000 0.0000000 0.0000000 4.5165568 0.0000000 0.0000000 0.0000000 4.9011020 3 As 3.1996126 0.0000000 0.0000000 0.0000000 3.1996126 0.0000000 0.0000000 0.0000000 4.2331184 4 As 3.1996126 0.0000000 0.0000000 0.0000000 3.1996126 0.0000000 0.0000000 0.0000000 4.2331184 5 O -1.1472460 0.0000000 0.0000000 0.0000000 -2.7108386 0.5857512 0.0000000 0.4964505 -2.2835551 6 O -2.7108386 0.0000000 -0.5857512 0.0000000 -1.1472460 0.0000000 -0.4964505 0.0000000 -2.2835551 7 O -2.7108386 0.0000000 -0.5857512 0.0000000 -1.1472460 0.0000000 -0.4964505 0.0000000 -2.2835551 8 O -2.7108386 0.0000000 0.5857512 0.0000000 -1.1472460 0.0000000 0.4964505 0.0000000 -2.2835551 9 O -1.1472460 0.0000000 0.0000000 0.0000000 -2.7108386 -0.5857512 0.0000000 -0.4964505 -2.2835551 10 O -1.1472460 0.0000000 0.0000000 0.0000000 -2.7108386 0.5857512 0.0000000 0.4964505 -2.2835551 11 O -1.1472460 0.0000000 0.0000000 0.0000000 -2.7108386 -0.5857512 0.0000000 -0.4964505 -2.2835551 12 O -2.7108386 0.0000000 0.5857512 0.0000000 -1.1472460 0.0000000 0.4964505 0.0000000 -2.2835551 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (yzy) 0.00000004 (yzy) 0.00000004 (yyz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] 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: 0.74, Number of G-points: 297, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/102) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 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 2.584 ( 0.000 0.000 0.000) 0.000 2.854 ( -0.000 0.000 0.000) 0.000 2.854 ( -0.000 0.000 -0.000) 0.000 3.681 ( -0.000 0.000 -0.000) 0.000 4.601 ( 0.000 0.000 -0.000) 0.000 4.601 ( 0.000 0.000 -0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 -0.000 -0.000) 0.000 6.251 ( 0.000 -0.000 0.000) 0.000 6.346 ( -0.000 -0.000 -0.000) 0.000 6.346 ( -0.000 -0.000 -0.000) 0.000 6.647 ( 0.000 0.000 0.000) 0.000 6.712 ( -0.000 0.000 0.000) 0.000 7.639 ( 0.000 0.000 0.000) 0.000 7.639 ( 0.000 0.000 -0.000) 0.000 9.196 ( 0.000 0.000 -0.000) 0.000 9.700 ( 0.000 0.000 0.000) 0.000 9.700 ( 0.000 0.000 0.000) 0.000 10.932 ( 0.000 -0.000 -0.000) 0.000 11.868 ( 0.000 0.000 0.000) 0.000 11.868 ( 0.000 -0.000 -0.000) 0.000 12.068 ( 0.000 0.000 -0.000) 0.000 13.189 ( 0.000 0.000 0.000) 0.000 13.316 ( 0.000 -0.000 0.000) 0.000 21.712 ( 0.000 -0.000 0.000) 0.000 21.712 ( 0.000 -0.000 -0.000) 0.000 22.227 ( 0.000 0.000 0.000) 0.000 22.227 ( -0.000 -0.000 0.000) 0.000 23.017 ( 0.000 0.000 -0.000) 0.000 23.367 ( -0.000 0.000 0.000) 0.000 24.333 ( 0.000 -0.000 0.000) 0.000 24.545 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/102) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 0.000 3.950 24.354) 24.672 0.772 ( 0.000 35.933 18.526) 40.428 1.250 ( 0.000 23.376 59.799) 64.206 2.593 ( 0.000 -1.885 3.470) 3.949 2.925 ( 0.000 9.373 0.626) 9.394 2.952 ( 0.000 11.981 0.993) 12.023 3.777 ( 0.000 -3.053 14.588) 14.904 4.368 ( -0.000 -0.357 -19.764) 19.768 4.474 ( -0.000 7.242 -19.920) 21.195 4.989 ( 0.000 -1.374 11.661) 11.742 5.020 ( 0.000 0.309 4.850) 4.859 5.223 ( 0.000 23.828 -20.170) 31.218 6.207 ( -0.000 1.661 -7.033) 7.227 6.327 ( -0.000 -3.576 1.240) 3.785 6.356 ( 0.000 0.392 0.832) 0.920 6.680 ( 0.000 2.815 2.053) 3.484 7.580 ( -0.000 -12.389 9.364) 15.530 7.660 ( 0.000 -0.843 3.314) 3.419 8.353 ( -0.000 -51.034 34.066) 61.359 9.145 ( -0.000 -4.032 -2.978) 5.012 9.724 ( 0.000 0.209 2.850) 2.858 10.302 ( 0.000 41.664 -39.205) 57.209 10.978 ( 0.000 4.779 0.787) 4.844 11.823 ( -0.000 -4.188 -2.165) 4.715 11.852 ( -0.000 0.973 -2.964) 3.120 12.771 ( -0.000 -1.737 -29.519) 29.571 13.401 ( -0.000 -59.362 54.989) 80.917 13.684 ( 0.000 -2.316 26.826) 26.926 21.719 ( 0.000 -0.274 1.085) 1.120 22.159 ( 0.000 15.350 -16.913) 22.840 22.224 ( -0.000 0.461 -0.723) 0.858 22.266 ( 0.000 27.856 -22.026) 35.512 23.341 ( -0.000 1.193 -4.250) 4.414 24.340 ( 0.000 -0.188 0.839) 0.859 24.533 ( -0.000 0.266 -1.874) 1.893 25.552 ( -0.000 -32.366 26.949) 42.116 ======================= Grid point 2 (3/102) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 0.000 4.146 24.095) 24.449 1.539 ( 0.000 33.756 19.486) 38.976 2.445 ( 0.000 21.720 55.367) 59.475 2.640 ( 0.000 0.649 2.984) 3.054 3.114 ( 0.000 16.378 0.884) 16.402 3.172 ( 0.000 16.034 1.932) 16.150 3.976 ( 0.000 -5.275 12.930) 13.964 4.071 ( -0.000 -0.914 -16.902) 16.927 4.311 ( 0.000 7.535 -8.033) 11.014 5.037 ( 0.000 -1.230 3.219) 3.446 5.160 ( -0.000 -4.438 -5.928) 7.405 5.171 ( 0.000 -1.010 8.732) 8.790 6.090 ( -0.000 3.673 -12.522) 13.049 6.309 ( -0.000 -3.291 3.119) 4.534 6.377 ( 0.000 0.286 1.193) 1.227 6.793 ( 0.000 6.304 4.752) 7.894 7.529 ( -0.000 -13.099 6.014) 14.413 7.708 ( 0.000 -1.881 4.932) 5.279 8.092 ( -0.000 -26.332 0.842) 26.345 9.000 ( -0.000 -7.392 -5.440) 9.178 9.789 ( 0.000 0.253 4.914) 4.921 10.298 ( 0.000 21.809 -16.870) 27.572 11.049 ( 0.000 5.810 -2.051) 6.162 11.696 ( -0.000 -7.724 -3.196) 8.359 11.808 ( -0.000 1.738 -4.897) 5.197 12.315 ( -0.000 -2.627 -25.403) 25.539 13.451 ( -0.000 -25.182 26.453) 36.523 14.009 ( 0.000 -3.691 20.617) 20.945 21.736 ( 0.000 -0.515 1.680) 1.757 22.119 ( -0.000 1.949 -3.406) 3.924 22.218 ( -0.000 0.830 -1.102) 1.380 22.299 ( 0.000 19.264 -15.551) 24.758 23.280 ( -0.000 2.215 -6.309) 6.687 24.339 ( -0.000 -1.709 0.233) 1.725 24.499 ( -0.000 0.264 -2.787) 2.799 25.519 ( -0.000 -18.088 13.762) 22.728 ======================= Grid point 3 (4/102) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.000 3.958 22.950) 23.289 2.269 ( 0.000 29.145 19.386) 35.004 2.661 ( -0.000 1.840 -3.750) 4.177 3.312 ( 0.000 20.637 3.829) 20.989 3.421 ( 0.000 14.901 2.311) 15.079 3.546 ( 0.000 13.985 38.082) 40.568 3.856 ( -0.000 -0.792 -8.997) 9.032 3.945 ( -0.000 1.640 -3.057) 3.469 4.532 ( 0.000 1.713 21.983) 22.050 4.935 ( -0.000 -16.084 -3.894) 16.549 5.068 ( 0.000 -1.709 3.421) 3.825 5.243 ( 0.000 -1.440 3.128) 3.444 5.934 ( -0.000 4.930 -15.084) 15.869 6.340 ( 0.000 0.340 3.222) 3.240 6.397 ( 0.000 0.119 1.032) 1.039 6.989 ( 0.000 9.058 6.591) 11.202 7.375 ( -0.000 -15.628 -2.929) 15.900 7.709 ( -0.000 -17.086 -8.790) 19.215 7.748 ( 0.000 -3.009 4.206) 5.172 8.793 ( -0.000 -8.931 -6.512) 11.053 9.872 ( 0.000 0.124 5.323) 5.324 10.379 ( 0.000 16.476 -6.894) 17.860 11.040 ( -0.000 0.595 -5.879) 5.909 11.550 ( -0.000 -6.196 -1.998) 6.510 11.756 ( -0.000 1.952 -5.063) 5.426 11.943 ( -0.000 -3.008 -17.829) 18.081 13.520 ( 0.000 -12.069 15.406) 19.571 14.213 ( 0.000 -4.209 13.239) 13.893 21.754 ( 0.000 -0.601 1.566) 1.678 22.113 ( 0.000 -1.060 1.820) 2.107 22.214 ( 0.000 0.933 -0.997) 1.366 22.311 ( 0.000 14.302 -12.700) 19.128 23.218 ( -0.000 2.507 -5.734) 6.258 24.293 ( -0.000 -3.663 -1.230) 3.864 24.464 ( -0.000 0.247 -2.033) 2.048 25.487 ( -0.000 -11.267 8.279) 13.982 ======================= Grid point 4 (5/102) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 0.000 2.853 18.469) 18.688 2.562 ( -0.000 0.711 -10.358) 10.382 2.894 ( 0.000 21.488 16.184) 26.901 3.538 ( 0.000 5.289 -1.249) 5.435 3.625 ( 0.000 9.184 2.317) 9.472 3.739 ( 0.000 12.343 -8.041) 14.731 3.771 ( -0.000 -0.113 -2.336) 2.339 4.330 ( 0.000 -6.522 17.011) 18.218 4.713 ( 0.000 -9.867 13.087) 16.390 4.954 ( 0.000 8.719 21.235) 22.956 5.093 ( 0.000 -1.398 2.546) 2.905 5.245 ( -0.000 -1.115 0.081) 1.118 5.794 ( -0.000 3.752 -8.460) 9.255 6.366 ( -0.000 0.777 -4.988) 5.048 6.411 ( 0.000 0.064 0.580) 0.584 6.996 ( -0.000 -12.530 -15.191) 19.692 7.214 ( 0.000 8.662 5.746) 10.394 7.457 ( -0.000 -10.233 -0.913) 10.274 7.746 ( -0.000 -3.780 1.567) 4.092 8.589 ( -0.000 -6.744 -4.839) 8.300 9.943 ( 0.000 -0.002 3.515) 3.515 10.520 ( 0.000 14.407 -2.550) 14.631 10.889 ( -0.000 -8.789 -5.040) 10.131 11.496 ( 0.000 0.528 -0.122) 0.542 11.690 ( -0.000 -3.459 -9.577) 10.183 11.713 ( -0.000 1.321 -3.237) 3.496 13.584 ( 0.000 -4.773 7.544) 8.927 14.310 ( 0.000 -2.950 6.181) 6.849 21.766 ( 0.000 -0.413 0.900) 0.990 22.142 ( 0.000 -2.064 4.403) 4.862 22.213 ( 0.000 0.626 -0.554) 0.836 22.298 ( 0.000 9.070 -9.606) 13.211 23.177 ( -0.000 1.675 -3.272) 3.676 24.223 ( -0.000 -3.091 -1.128) 3.290 24.442 ( -0.000 -0.002 -1.091) 1.091 25.468 ( -0.000 -5.467 3.978) 6.761 ======================= Grid point 5 (6/102) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.000 0.000 0.000) 0.000 2.455 ( 0.000 0.000 0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.403 ( -0.000 -0.000 -0.000) 0.000 3.731 ( -0.000 -0.000 -0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 4.206 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 5.104 ( 0.000 0.000 0.000) 0.000 5.234 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 7.336 ( 0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 10.679 ( -0.000 -0.000 0.000) 0.000 10.704 ( 0.000 0.000 0.000) 0.000 11.542 ( -0.000 -0.000 -0.000) 0.000 11.553 ( 0.000 0.000 0.000) 0.000 11.696 ( 0.000 0.000 0.000) 0.000 13.611 ( 0.000 0.000 0.000) 0.000 14.335 ( 0.000 0.000 0.000) 0.000 21.770 ( 0.000 0.000 0.000) 0.000 22.169 ( 0.000 -0.000 0.000) 0.000 22.213 ( 0.000 0.000 0.000) 0.000 22.279 ( 0.000 0.000 -0.000) 0.000 23.164 ( 0.000 0.000 0.000) 0.000 24.191 ( 0.000 0.000 0.000) 0.000 24.433 ( 0.000 0.000 0.000) 0.000 25.461 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/102) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 15.069 15.069 20.737) 29.735 1.119 ( 20.316 20.316 19.168) 34.538 2.291 ( 8.144 8.144 62.497) 63.549 2.659 ( -0.343 -0.343 5.796) 5.816 2.970 ( 7.749 7.749 -0.970) 11.002 3.069 ( 11.425 11.425 2.538) 16.356 3.965 ( -5.861 -5.861 3.043) 8.830 4.173 ( 4.755 4.755 -20.255) 21.342 4.192 ( 2.751 2.751 5.299) 6.574 5.044 ( -0.765 -0.765 3.307) 3.479 5.126 ( -4.272 -4.272 7.893) 9.940 5.238 ( 3.047 3.047 0.606) 4.352 6.065 ( 1.892 1.892 -12.680) 12.959 6.348 ( -1.801 -1.801 1.635) 3.026 6.364 ( -0.807 -0.807 2.687) 2.919 6.748 ( 3.189 3.189 4.160) 6.136 7.654 ( -5.582 -5.582 5.413) 9.572 7.687 ( -3.444 -3.444 5.249) 7.161 8.314 ( -17.917 -17.917 -6.529) 26.166 9.051 ( -3.858 -3.858 -5.701) 7.891 9.804 ( 1.416 1.416 4.897) 5.291 10.097 ( 15.588 15.588 -13.086) 25.636 11.007 ( 3.240 3.240 -0.861) 4.662 11.771 ( -0.939 -0.939 -4.742) 4.924 11.773 ( -1.275 -1.275 -4.321) 4.682 12.332 ( -1.142 -1.142 -25.913) 25.963 13.682 ( -21.443 -21.443 20.911) 36.835 14.024 ( -2.583 -2.583 20.383) 20.708 21.723 ( -1.393 -1.393 1.537) 2.498 22.047 ( 13.526 13.526 -10.053) 21.609 22.153 ( -0.172 -0.172 -4.440) 4.447 22.273 ( 4.767 4.767 -0.627) 6.771 23.266 ( 1.651 1.651 -6.575) 6.977 24.354 ( -0.017 -0.017 0.609) 0.610 24.493 ( 0.392 0.392 -3.461) 3.505 25.661 ( -14.238 -14.238 10.494) 22.706 ======================= Grid point 13 (8/102) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 25.838 2.883 21.457) 33.709 1.851 ( 3.206 34.170 18.874) 39.168 2.684 ( 2.641 -0.576 0.605) 2.770 3.085 ( 4.703 15.323 -2.742) 16.262 3.259 ( 6.069 13.466 14.065) 20.396 3.412 ( 7.563 12.510 42.265) 44.722 3.816 ( -5.513 -2.660 -6.994) 9.295 3.974 ( 4.555 2.312 -9.903) 11.142 4.507 ( 0.049 1.296 22.737) 22.774 5.083 ( -1.161 -2.114 3.530) 4.276 5.091 ( -3.971 -10.082 -0.230) 10.838 5.245 ( -2.050 -1.299 0.541) 2.486 5.891 ( 2.196 3.708 -14.182) 14.822 6.343 ( -1.830 -2.102 1.618) 3.223 6.406 ( 0.444 -0.400 3.301) 3.355 6.895 ( 2.677 6.602 6.155) 9.415 7.558 ( -3.375 -13.140 -3.099) 13.916 7.726 ( -6.754 -3.352 3.469) 8.300 7.911 ( -2.652 -11.323 -14.233) 18.380 8.874 ( -3.604 -6.654 -7.569) 10.703 9.894 ( 3.022 0.370 5.120) 5.957 10.180 ( 4.483 14.899 -4.791) 16.280 11.018 ( 1.697 3.123 -3.915) 5.288 11.643 ( 0.755 -5.696 -4.034) 7.021 11.715 ( -2.629 1.390 -4.624) 5.498 11.972 ( -0.308 -1.421 -18.204) 18.262 13.680 ( -6.841 -15.267 12.938) 21.149 14.235 ( -3.810 -3.558 12.475) 13.521 21.731 ( -3.209 -0.796 1.310) 3.556 22.071 ( -7.081 -3.652 1.606) 8.128 22.114 ( 8.786 13.433 -10.534) 19.199 22.336 ( 9.839 5.283 -0.038) 11.168 23.198 ( 1.968 2.591 -5.757) 6.613 24.342 ( 0.935 -1.987 -0.805) 2.339 24.447 ( -0.628 1.044 -3.309) 3.526 25.598 ( -8.854 -13.320 6.726) 17.351 ======================= Grid point 14 (9/102) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 23.057 2.360 19.347) 30.191 2.531 ( 0.344 16.778 9.147) 19.113 2.655 ( 8.656 10.567 1.882) 13.789 3.269 ( -1.050 22.910 -6.125) 23.738 3.535 ( 7.327 12.172 4.741) 14.978 3.686 ( -4.598 -4.333 -3.334) 7.143 3.813 ( 3.191 -0.624 -2.497) 4.100 4.350 ( 3.763 5.280 38.587) 39.128 4.812 ( 2.186 2.705 5.005) 6.095 4.907 ( -4.914 -10.753 7.690) 14.103 5.109 ( -1.136 -2.041 2.749) 3.607 5.227 ( -4.354 -0.870 -0.698) 4.495 5.771 ( 2.052 2.222 -4.623) 5.525 6.324 ( -3.538 -1.013 -2.945) 4.713 6.451 ( 3.095 -0.004 2.697) 4.105 7.096 ( 0.410 6.127 6.049) 8.620 7.155 ( -1.598 -9.620 -21.969) 24.037 7.606 ( -0.583 -10.532 -1.802) 10.701 7.767 ( -3.696 -3.165 0.524) 4.894 8.659 ( -3.426 -6.898 -7.571) 10.799 9.963 ( 2.868 0.108 3.191) 4.292 10.329 ( 1.692 14.194 -1.918) 14.423 10.960 ( 0.454 -1.692 -5.029) 5.325 11.524 ( 0.024 -3.934 -1.757) 4.309 11.663 ( -3.217 0.118 -4.380) 5.436 11.759 ( 2.479 -1.008 -6.654) 7.172 13.670 ( -1.879 -8.675 6.833) 11.202 14.315 ( -4.669 -3.148 4.446) 7.175 21.738 ( -3.960 -0.506 0.634) 4.043 22.033 ( -11.225 -0.086 -2.253) 11.449 22.155 ( 7.183 6.560 -2.681) 10.090 22.414 ( 14.525 4.795 1.140) 15.338 23.166 ( 2.518 2.613 -2.992) 4.704 24.279 ( 1.189 -3.684 -1.701) 4.228 24.423 ( -1.248 1.451 -2.258) 2.960 25.518 ( -7.740 -9.790 3.417) 12.940 ======================= Grid point 15 (10/102) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 23.788 -0.067 3.745) 24.081 2.495 ( 4.414 -1.290 0.737) 4.658 3.145 ( 3.044 15.979 13.164) 20.926 3.513 ( -0.754 -8.008 -2.600) 8.453 3.555 ( -4.466 25.628 -5.239) 26.536 3.735 ( 5.422 7.939 2.335) 9.893 3.777 ( 2.566 -1.845 0.436) 3.190 4.430 ( 0.553 -19.652 -0.274) 19.662 4.831 ( 2.389 6.317 -11.017) 12.923 5.106 ( -2.113 -1.440 -0.059) 2.558 5.134 ( -8.758 0.995 5.050) 10.158 5.284 ( 3.024 0.904 13.767) 14.124 5.867 ( 2.441 0.655 10.028) 10.342 6.147 ( -6.136 -3.001 -11.680) 13.531 6.473 ( 5.664 -0.356 0.578) 5.705 6.799 ( -0.957 -1.151 -7.444) 7.593 7.259 ( -3.571 1.603 2.831) 4.831 7.478 ( 5.269 -3.247 -0.682) 6.227 7.706 ( -4.720 -2.897 -2.823) 6.216 8.492 ( -3.564 -2.585 -4.491) 6.289 9.989 ( 2.622 0.114 -0.138) 2.628 10.506 ( 0.874 14.557 -0.301) 14.586 10.834 ( 0.130 -7.875 -1.972) 8.120 11.502 ( -2.568 0.277 1.941) 3.231 11.591 ( -0.297 -2.784 -0.948) 2.956 11.721 ( 2.852 -0.335 0.956) 3.026 13.641 ( 0.025 -4.070 0.234) 4.077 14.301 ( -5.321 -0.683 -2.471) 5.906 21.737 ( -4.100 -0.171 -0.197) 4.109 22.002 ( -12.296 2.352 -3.956) 13.129 22.207 ( 5.667 1.781 2.093) 6.298 22.495 ( 17.323 1.646 3.565) 17.763 23.174 ( 3.043 1.498 0.291) 3.404 24.213 ( 0.676 -2.455 -0.889) 2.697 24.415 ( -1.285 1.412 -1.319) 2.320 25.440 ( -7.793 -5.148 -0.191) 9.342 ======================= Grid point 16 (11/102) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 23.659 -3.346 -15.612) 28.543 2.615 ( 4.775 -2.090 12.703) 13.730 3.181 ( 4.039 -16.279 -12.116) 20.691 3.467 ( -1.573 8.822 5.692) 10.616 3.725 ( -0.084 -5.715 0.574) 5.744 3.799 ( 3.015 0.352 4.838) 5.711 3.892 ( 0.962 5.459 -0.608) 5.576 4.234 ( 0.773 -2.167 1.380) 2.683 4.617 ( 1.729 6.377 -24.413) 25.291 5.030 ( -7.750 -5.487 -18.582) 20.868 5.080 ( -1.668 -1.810 -4.553) 5.176 5.244 ( 0.991 -3.400 -6.121) 7.071 5.869 ( 2.227 -4.498 11.206) 12.278 6.307 ( -4.491 2.134 10.862) 11.947 6.481 ( 5.747 -1.076 1.059) 5.942 6.836 ( -1.558 8.732 5.729) 10.559 7.246 ( -5.390 -0.767 -1.574) 5.667 7.436 ( 7.199 -1.444 -4.057) 8.389 7.663 ( -4.553 3.772 -2.358) 6.365 8.481 ( -3.781 5.168 0.849) 6.459 9.963 ( 2.988 0.099 -3.238) 4.407 10.662 ( -2.330 0.050 -2.440) 3.374 10.767 ( 3.262 2.878 8.280) 9.353 11.523 ( -1.723 -3.317 1.842) 4.167 11.631 ( -1.053 1.847 8.032) 8.308 11.752 ( 2.404 -0.917 4.228) 4.950 13.557 ( 0.292 -0.638 -7.209) 7.243 14.232 ( -5.440 2.829 -8.352) 10.361 21.728 ( -4.021 0.221 -0.934) 4.134 21.977 ( -11.759 3.146 -3.934) 12.792 22.264 ( 6.413 -0.618 4.194) 7.687 22.560 ( 16.476 -4.333 7.128) 18.467 23.211 ( 2.845 -0.367 3.339) 4.402 24.199 ( 0.706 1.072 0.507) 1.380 24.423 ( -1.231 1.585 -0.289) 2.027 25.372 ( -8.160 0.032 -4.247) 9.199 ======================= Grid point 17 (12/102) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 26.551 -4.793 -18.755) 32.858 2.608 ( 0.595 -17.863 -14.089) 22.759 2.784 ( 8.985 -9.573 0.930) 13.162 3.558 ( 0.762 -9.907 2.261) 10.191 3.647 ( 2.995 -8.720 0.274) 9.224 3.710 ( -1.034 -12.195 -13.316) 18.087 3.846 ( 1.107 -6.355 -3.585) 7.380 4.030 ( 3.471 -4.936 -7.496) 9.623 4.532 ( -0.119 2.645 -24.351) 24.494 4.670 ( -4.901 16.295 3.864) 17.449 5.037 ( -1.395 1.580 -3.432) 4.027 5.207 ( -2.364 1.372 -1.831) 3.290 6.023 ( 2.248 -5.660 15.232) 16.405 6.357 ( -1.353 -3.046 0.023) 3.333 6.425 ( 2.168 -2.644 -2.799) 4.419 7.054 ( -5.889 2.485 -3.940) 7.509 7.219 ( 5.157 4.567 2.627) 7.373 7.460 ( -2.597 13.855 -0.804) 14.119 7.682 ( -2.666 4.542 -3.252) 6.190 8.636 ( -3.787 10.142 4.460) 11.709 9.900 ( 3.716 -0.094 -4.809) 6.077 10.575 ( -0.704 -10.808 4.911) 11.892 11.010 ( 2.277 6.314 9.723) 11.814 11.511 ( 0.615 -0.438 0.775) 1.082 11.765 ( -2.728 -2.060 6.374) 7.233 11.899 ( 0.569 3.581 15.361) 15.784 13.404 ( -0.766 3.471 -15.228) 15.637 14.115 ( -4.940 5.137 -14.415) 16.080 21.715 ( -3.812 0.503 -1.401) 4.092 21.972 ( -10.387 3.570 -2.505) 11.265 22.315 ( 9.642 -1.511 4.151) 10.605 22.596 ( 11.930 -11.414 11.824) 20.308 23.264 ( 2.193 -1.949 5.654) 6.370 24.251 ( 1.472 3.802 1.368) 4.301 24.447 ( -1.130 1.683 0.538) 2.097 25.309 ( -8.657 5.644 -9.053) 13.738 ======================= Grid point 18 (13/102) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 32.474 -5.592 -17.218) 37.179 1.975 ( 5.850 -24.913 -23.834) 34.971 2.699 ( 2.418 -9.092 -3.738) 10.123 2.858 ( 5.039 -28.651 -37.168) 47.198 3.369 ( 3.669 -18.038 0.824) 18.426 3.469 ( 8.613 -16.125 -1.905) 18.380 3.811 ( -9.572 5.684 -9.196) 14.439 4.124 ( 6.692 2.415 9.579) 11.932 4.359 ( -2.186 -0.869 4.566) 5.136 4.951 ( -9.713 9.041 0.860) 13.297 5.015 ( -1.436 2.311 -2.102) 3.438 5.228 ( 5.468 3.189 4.858) 7.979 6.159 ( 1.673 -4.648 11.621) 12.627 6.289 ( 0.834 -0.374 -3.334) 3.457 6.375 ( -1.359 -1.228 -1.239) 2.211 6.894 ( 0.126 -6.515 -6.022) 8.873 7.344 ( 0.931 12.852 -5.835) 14.145 7.604 ( -8.450 6.812 -5.223) 12.045 7.755 ( -1.336 17.715 -5.540) 18.609 8.853 ( -3.877 10.336 4.663) 11.983 9.823 ( 4.179 -0.397 -4.503) 6.156 10.561 ( 1.047 -13.478 15.911) 20.878 11.149 ( 3.002 -5.237 6.161) 8.625 11.573 ( 0.354 9.285 -0.227) 9.295 11.816 ( -3.182 -2.416 4.680) 6.154 12.261 ( -0.943 4.244 24.009) 24.399 13.181 ( -3.193 8.764 -25.258) 26.925 13.918 ( -4.106 5.336 -20.871) 21.930 21.700 ( -3.391 0.614 -1.423) 3.729 22.001 ( -8.965 4.175 -0.591) 9.907 22.344 ( 12.365 -1.810 2.334) 12.713 22.636 ( 8.007 -17.489 20.248) 27.928 23.326 ( 2.001 -2.343 5.972) 6.719 24.317 ( 1.609 2.987 0.400) 3.417 24.484 ( -0.933 1.847 0.966) 2.284 25.244 ( -9.399 11.454 -15.054) 21.122 ======================= Grid point 19 (14/102) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 38.876 -7.049 -10.705) 40.935 1.251 ( 13.764 -22.748 -27.096) 37.962 1.773 ( 4.296 -43.022 -31.097) 53.258 2.613 ( 2.696 -3.616 -2.593) 5.203 3.138 ( 6.327 -15.642 -0.062) 16.874 3.224 ( 9.457 -15.540 -1.281) 18.237 3.679 ( -5.438 5.702 -13.514) 15.644 4.368 ( 0.335 1.054 17.843) 17.877 4.515 ( -0.650 0.180 10.596) 10.618 4.905 ( -7.474 2.848 -12.667) 14.981 5.004 ( -1.167 1.064 -2.197) 2.706 5.537 ( 8.744 -4.421 36.520) 37.811 6.248 ( 0.878 -3.178 6.721) 7.486 6.276 ( 0.882 3.835 -1.637) 4.262 6.343 ( -3.027 -1.181 -0.814) 3.350 6.748 ( 1.790 -4.541 -2.848) 5.651 7.343 ( -2.765 15.002 -23.615) 28.114 7.579 ( -7.664 3.218 -4.480) 9.442 7.828 ( -5.006 18.620 -19.039) 27.096 9.036 ( -4.015 7.801 2.774) 9.202 9.758 ( 3.697 -0.769 -2.689) 4.635 10.741 ( 4.780 -14.962 35.217) 38.561 11.096 ( 4.091 -8.190 1.029) 9.212 11.697 ( -1.984 12.438 -5.466) 13.730 11.843 ( -3.898 -1.603 2.400) 4.850 12.717 ( -0.703 5.790 21.142) 21.932 12.833 ( -7.013 9.320 -34.355) 36.281 13.619 ( -3.080 4.091 -26.392) 26.884 21.690 ( -2.648 0.699 -0.925) 2.890 22.065 ( -7.659 4.950 0.572) 9.137 22.333 ( 9.732 -3.012 0.640) 10.208 22.788 ( 10.629 -19.995 34.973) 41.664 23.376 ( 2.445 -1.395 3.568) 4.545 24.339 ( 0.785 0.683 -0.528) 1.167 24.513 ( -1.529 2.624 -1.803) 3.532 25.133 ( -10.375 14.205 -23.901) 29.676 ======================= Grid point 20 (15/102) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 20.559 -20.559 -0.000) 29.075 0.766 ( 28.063 -28.063 -0.000) 39.687 0.841 ( 30.663 -30.663 -0.000) 43.364 2.565 ( 0.407 -0.407 -0.000) 0.575 2.970 ( 8.285 -8.285 -0.000) 11.717 3.029 ( 10.835 -10.835 -0.000) 15.323 3.631 ( -3.661 3.661 0.000) 5.178 4.599 ( -0.287 0.287 0.000) 0.405 4.607 ( 0.288 -0.288 -0.000) 0.408 4.753 ( -4.079 4.079 0.000) 5.769 4.997 ( -0.385 0.385 0.000) 0.544 6.268 ( 1.237 -1.237 -0.000) 1.750 6.316 ( -7.920 7.920 0.000) 11.200 6.322 ( -1.586 1.586 0.000) 2.244 6.323 ( -1.522 1.522 0.000) 2.153 6.716 ( 0.255 -0.255 -0.000) 0.360 6.757 ( 6.152 -6.152 -0.000) 8.700 7.591 ( -3.515 3.515 0.000) 4.971 7.781 ( -3.932 3.932 0.000) 5.560 9.140 ( -4.083 4.083 0.000) 5.774 9.722 ( 1.599 -1.599 -0.000) 2.261 11.004 ( 5.126 -5.126 -0.000) 7.250 11.268 ( 1.782 -1.782 -0.000) 2.521 11.625 ( -12.111 12.111 0.000) 17.127 11.855 ( -0.961 0.961 0.000) 1.359 12.266 ( 8.862 -8.862 -0.000) 12.532 13.173 ( -1.118 1.118 0.000) 1.581 13.276 ( -2.962 2.962 0.000) 4.189 21.695 ( -1.210 1.210 0.000) 1.711 22.143 ( -5.459 5.459 0.000) 7.720 22.287 ( 4.405 -4.405 -0.000) 6.230 23.097 ( 5.219 -5.219 -0.000) 7.381 23.390 ( 1.595 -1.595 -0.000) 2.256 24.334 ( 0.149 -0.149 -0.000) 0.210 24.501 ( -3.300 3.300 0.000) 4.667 24.923 ( -2.247 2.247 0.000) 3.177 ======================= Grid point 23 (16/102) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 13.577 13.577 19.819) 27.595 2.256 ( 20.493 20.493 17.907) 34.067 2.711 ( 3.884 3.884 -3.787) 6.672 3.062 ( 11.033 11.033 -10.841) 18.999 3.500 ( 11.074 11.074 5.792) 16.698 3.686 ( -4.981 -4.981 -1.062) 7.123 3.842 ( 1.431 1.431 -1.083) 2.296 4.334 ( 6.849 6.849 44.356) 45.401 4.793 ( 3.654 3.654 7.306) 8.949 4.976 ( -10.252 -10.252 -2.165) 14.659 5.116 ( -1.866 -1.866 2.869) 3.899 5.189 ( -3.173 -3.173 -0.250) 4.495 5.772 ( 1.987 1.987 -2.855) 4.006 6.307 ( -2.465 -2.465 -2.955) 4.570 6.474 ( 0.674 0.674 3.957) 4.071 7.050 ( 5.011 5.011 6.933) 9.915 7.217 ( -6.960 -6.960 -25.909) 27.716 7.690 ( -5.792 -5.792 1.780) 8.383 7.748 ( -3.897 -3.897 -3.325) 6.437 8.683 ( -5.794 -5.794 -8.551) 11.843 9.994 ( 2.090 2.090 2.687) 3.995 10.228 ( 8.177 8.177 -0.993) 11.606 10.970 ( 0.811 0.811 -4.524) 4.667 11.567 ( -3.184 -3.184 -5.125) 6.823 11.627 ( -0.821 -0.821 -1.689) 2.049 11.784 ( 0.747 0.747 -6.416) 6.502 13.726 ( -6.624 -6.624 6.132) 11.196 14.298 ( -4.899 -4.899 3.878) 7.940 21.708 ( -2.402 -2.402 0.825) 3.496 21.955 ( -4.360 -4.360 -3.474) 7.078 22.164 ( 7.937 7.937 -1.707) 11.353 22.483 ( 9.114 9.114 2.167) 13.071 23.167 ( 3.605 3.605 -3.043) 5.937 24.331 ( -0.462 -0.462 -1.753) 1.871 24.387 ( -0.276 -0.276 -2.980) 3.005 25.530 ( -11.369 -11.369 3.196) 16.393 ======================= Grid point 24 (17/102) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 30.417 1.243 13.084) 33.135 2.601 ( 9.452 -1.421 -2.995) 10.017 2.935 ( 5.607 28.725 15.060) 32.914 3.122 ( -0.359 21.080 -9.201) 23.003 3.600 ( -3.935 -6.996 -1.059) 8.097 3.720 ( 6.769 7.278 5.335) 11.280 3.840 ( 2.395 -1.000 1.505) 3.000 4.659 ( 1.844 -8.876 -10.535) 13.898 4.803 ( 3.683 0.409 -5.494) 6.627 4.954 ( -12.090 2.090 4.575) 13.094 5.116 ( -2.344 -2.687 1.178) 3.755 5.301 ( 3.026 2.563 20.769) 21.144 5.885 ( 0.533 -0.145 14.340) 14.351 6.122 ( -4.530 -3.923 -16.455) 17.512 6.535 ( 2.746 0.239 2.807) 3.934 6.802 ( -1.156 -1.324 -15.117) 15.218 7.215 ( 1.372 2.857 5.561) 6.401 7.578 ( -1.140 -6.597 -2.265) 7.068 7.672 ( -4.926 -2.083 -3.567) 6.428 8.480 ( -5.444 -4.813 -7.534) 10.467 10.031 ( 3.781 0.994 -0.359) 3.926 10.351 ( 4.141 11.508 -0.792) 12.256 10.907 ( -0.016 -2.708 -1.664) 3.178 11.474 ( -3.946 -2.844 0.069) 4.865 11.614 ( 0.041 -0.783 0.841) 1.150 11.761 ( 2.096 0.172 1.287) 2.466 13.700 ( -1.460 -4.716 0.452) 4.958 14.235 ( -6.906 -3.327 -4.119) 8.702 21.691 ( -3.528 -1.518 0.362) 3.858 21.860 ( -6.819 -1.305 -3.765) 7.898 22.253 ( 7.041 4.985 1.757) 8.804 22.644 ( 12.177 6.544 4.846) 14.649 23.199 ( 5.851 4.411 -0.310) 7.334 24.270 ( 1.439 -3.250 -1.843) 4.004 24.363 ( -2.502 1.848 -2.027) 3.713 25.406 ( -11.820 -10.076 -0.010) 15.531 ======================= Grid point 25 (18/102) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 33.030 -4.407 -12.668) 35.649 2.737 ( 9.222 -1.222 14.754) 17.442 3.282 ( -4.387 12.580 -3.220) 13.706 3.425 ( 6.980 -5.526 -1.593) 9.043 3.555 ( -1.524 25.539 6.368) 26.365 3.793 ( -0.165 -3.867 3.361) 5.126 3.901 ( 6.675 1.337 4.569) 8.198 4.373 ( 0.336 -7.486 -9.669) 12.233 4.591 ( 2.725 -0.655 -17.921) 18.139 4.919 ( -11.702 -0.080 -10.348) 15.621 5.076 ( -3.269 -2.876 -2.073) 4.823 5.345 ( 0.553 -6.826 -18.578) 19.801 5.962 ( 3.361 -3.137 13.883) 14.624 6.207 ( -2.941 4.542 16.188) 17.068 6.564 ( 4.729 -0.184 1.559) 4.983 6.725 ( -1.687 4.518 -1.349) 5.008 7.215 ( -3.285 -4.922 -2.102) 6.280 7.529 ( -9.255 1.041 -5.305) 10.718 7.574 ( 8.580 -0.498 -1.353) 8.701 8.361 ( -6.348 1.461 -3.681) 7.482 10.018 ( 5.276 0.537 -2.514) 5.869 10.502 ( 0.252 12.854 -2.375) 13.074 10.875 ( 2.384 -5.438 6.633) 8.902 11.503 ( -4.973 -1.697 6.714) 8.526 11.634 ( 0.926 -0.965 3.999) 4.217 11.797 ( 1.810 -1.112 3.716) 4.280 13.602 ( 1.227 -3.731 -6.124) 7.275 14.103 ( -8.574 0.921 -10.326) 13.453 21.675 ( -3.821 -0.968 -0.283) 3.952 21.806 ( -8.470 0.983 -2.958) 9.026 22.353 ( 7.905 2.830 4.322) 9.444 22.797 ( 13.507 0.948 7.976) 15.715 23.264 ( 7.631 3.387 1.411) 8.468 24.215 ( 1.190 -1.601 -0.296) 2.016 24.367 ( -2.740 2.459 -1.349) 3.921 25.264 ( -13.170 -6.437 -3.685) 15.115 ======================= Grid point 26 (19/102) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 34.860 -6.018 -13.208) 37.761 2.824 ( 7.203 -9.540 -1.139) 12.008 3.085 ( 8.347 -10.145 -8.633) 15.721 3.497 ( -2.891 5.929 1.606) 6.789 3.741 ( -1.122 -1.745 1.570) 2.602 3.909 ( 2.898 -3.551 1.224) 4.745 3.978 ( 6.855 -2.968 7.354) 10.482 4.137 ( 1.767 -3.490 -18.450) 18.860 4.392 ( 0.180 9.222 -3.467) 9.854 4.518 ( -7.078 -4.596 -26.950) 28.240 4.990 ( -3.233 0.340 -4.299) 5.390 5.141 ( -5.485 0.577 -2.538) 6.071 6.143 ( 4.329 -5.346 14.639) 16.174 6.377 ( -0.253 -1.434 3.653) 3.932 6.530 ( 3.602 -5.919 -2.489) 7.363 6.849 ( -5.966 10.051 0.592) 11.703 7.182 ( -2.908 7.050 -0.732) 7.662 7.379 ( -2.052 -1.427 -8.824) 9.171 7.602 ( 2.327 1.608 -0.913) 2.972 8.424 ( -7.118 9.567 1.433) 12.010 9.973 ( 6.845 -0.009 -3.664) 7.764 10.584 ( -3.533 5.079 -2.129) 6.543 11.014 ( 5.865 0.172 15.258) 16.347 11.556 ( -0.312 -4.556 4.195) 6.201 11.739 ( -3.755 -1.048 8.729) 9.560 11.869 ( 0.143 1.617 8.934) 9.081 13.406 ( 1.332 -2.873 -13.442) 13.810 13.951 ( -8.365 5.134 -15.269) 18.151 21.657 ( -3.888 -0.347 -0.821) 3.989 21.796 ( -8.642 2.551 -1.594) 9.150 22.461 ( 10.829 1.541 5.758) 12.361 22.898 ( 12.634 -7.053 10.459) 17.854 23.329 ( 6.018 0.694 3.550) 7.021 24.231 ( 2.107 2.673 1.280) 3.636 24.388 ( -2.787 3.060 -0.892) 4.234 25.120 ( -14.306 -1.605 -8.056) 16.497 ======================= Grid point 27 (20/102) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 36.632 -7.818 -10.734) 38.965 2.386 ( 13.287 -16.798 -23.775) 31.999 2.915 ( 8.194 -11.577 -0.210) 14.184 3.331 ( 3.478 -29.889 -27.341) 40.657 3.550 ( -9.460 6.619 -6.955) 13.479 3.702 ( 8.020 -15.053 2.647) 17.260 3.827 ( 8.589 -14.652 -2.630) 17.186 4.147 ( 2.558 4.578 6.691) 8.501 4.269 ( -2.530 8.423 -4.577) 9.914 4.653 ( -10.954 12.238 3.850) 16.870 4.955 ( -3.001 2.623 -3.188) 5.104 5.199 ( -1.820 5.231 7.106) 9.010 6.259 ( 3.430 -4.797 9.709) 11.360 6.349 ( 1.553 -4.974 -1.266) 5.363 6.395 ( 0.905 -3.831 -3.103) 5.013 6.887 ( -5.644 3.038 -6.484) 9.118 7.275 ( 3.873 4.090 -4.958) 7.504 7.327 ( -7.120 14.665 -6.549) 17.568 7.592 ( -2.138 2.858 -3.359) 4.901 8.621 ( -7.311 12.298 3.387) 14.702 9.910 ( 7.409 -0.832 -3.669) 8.310 10.642 ( -3.093 0.328 6.941) 7.606 11.261 ( 6.629 -1.196 14.667) 16.139 11.522 ( 1.751 -1.880 -1.731) 3.098 11.790 ( -6.150 -3.382 3.974) 8.066 12.174 ( -2.244 5.455 21.844) 22.626 13.121 ( 0.335 -1.518 -19.681) 19.743 13.760 ( -6.817 6.602 -20.490) 22.581 21.643 ( -3.595 0.289 -0.879) 3.712 21.825 ( -8.113 3.862 -0.376) 8.994 22.554 ( 15.365 -0.123 4.021) 15.883 22.953 ( 8.134 -12.823 16.342) 22.308 23.392 ( 3.789 -1.297 5.022) 6.423 24.301 ( 2.888 4.270 0.403) 5.171 24.420 ( -2.961 3.528 -1.198) 4.759 24.977 ( -14.043 3.650 -12.116) 18.903 ======================= Grid point 28 (21/102) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 26.685 -14.170 -8.849) 31.483 1.805 ( 33.339 -11.967 -20.709) 41.031 2.432 ( 4.228 -43.629 -17.993) 47.383 2.772 ( 7.349 -9.561 -2.488) 12.313 3.484 ( -7.726 6.586 -10.773) 14.803 3.501 ( 11.130 -16.672 0.377) 20.049 3.589 ( 11.689 -15.743 -1.166) 19.643 4.321 ( -3.868 3.323 12.174) 13.199 4.456 ( -0.765 7.593 6.287) 9.888 4.721 ( -10.487 5.687 -9.062) 14.981 4.956 ( -2.458 2.587 -1.602) 3.912 5.555 ( -1.067 8.109 26.093) 27.345 6.269 ( 2.634 -0.312 -2.172) 3.428 6.315 ( 1.094 -3.423 3.880) 5.289 6.329 ( -1.392 -3.061 0.172) 3.367 6.797 ( -1.590 -0.361 -6.058) 6.274 7.209 ( 3.357 5.181 -17.142) 18.220 7.378 ( -8.379 9.560 -5.326) 13.783 7.596 ( -4.682 7.094 -5.107) 9.916 8.828 ( -7.623 10.964 2.370) 13.562 9.844 ( 6.129 -1.976 -2.358) 6.857 10.848 ( -2.357 1.439 19.477) 19.671 11.319 ( 8.604 -11.537 4.474) 15.071 11.512 ( -1.727 7.109 -6.437) 9.745 11.798 ( -5.856 -1.729 2.092) 6.455 12.629 ( -1.724 5.899 24.487) 25.247 12.777 ( 0.277 -3.313 -18.105) 18.407 13.494 ( -5.210 5.856 -25.534) 26.710 21.640 ( -2.864 0.905 -0.600) 3.063 21.887 ( -7.513 5.241 0.240) 9.164 22.553 ( 14.194 -4.901 0.559) 15.027 23.106 ( 6.406 -11.415 25.016) 28.234 23.438 ( 3.906 -1.134 3.022) 5.067 24.340 ( 1.441 2.724 -1.382) 3.377 24.411 ( -5.833 3.713 -7.573) 10.255 24.866 ( -9.391 6.290 -10.509) 15.433 ======================= Grid point 29 (22/102) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 19.457 -19.457 -0.000) 27.517 1.519 ( 27.179 -27.179 -0.000) 38.437 1.658 ( 29.349 -29.349 -0.000) 41.505 2.649 ( 5.863 -5.863 -0.000) 8.291 3.283 ( 14.344 -14.344 -0.000) 20.285 3.375 ( 13.931 -13.931 -0.000) 19.701 3.485 ( -6.961 6.961 0.000) 9.845 4.572 ( -1.985 1.985 0.000) 2.808 4.593 ( -7.582 7.582 0.000) 10.722 4.596 ( -1.657 1.657 0.000) 2.343 4.972 ( -1.601 1.601 0.000) 2.264 6.051 ( -11.492 11.492 0.000) 16.252 6.279 ( -1.050 1.050 0.000) 1.485 6.283 ( -0.957 0.957 0.000) 1.353 6.317 ( 2.329 -2.329 -0.000) 3.294 6.719 ( -0.130 0.130 0.000) 0.184 6.942 ( 7.047 -7.047 -0.000) 9.965 7.451 ( -6.721 6.721 0.000) 9.505 7.638 ( -6.005 6.005 0.000) 8.493 8.976 ( -7.855 7.855 0.000) 11.108 9.789 ( 3.336 -3.336 -0.000) 4.718 11.190 ( 7.720 -7.720 -0.000) 10.918 11.279 ( -13.062 13.062 0.000) 18.473 11.350 ( 4.872 -4.872 -0.000) 6.890 11.817 ( -1.809 1.809 0.000) 2.558 12.486 ( 7.247 -7.247 -0.000) 10.249 13.130 ( -2.040 2.040 0.000) 2.885 13.154 ( -6.060 6.060 0.000) 8.571 21.652 ( -1.786 1.786 0.000) 2.526 21.970 ( -6.673 6.673 0.000) 9.437 22.462 ( 8.388 -8.388 -0.000) 11.862 23.260 ( 6.214 -6.214 -0.000) 8.787 23.447 ( 2.481 -2.481 -0.000) 3.509 24.344 ( 0.599 -0.599 -0.000) 0.848 24.363 ( -6.880 6.880 0.000) 9.730 24.840 ( -3.684 3.684 0.000) 5.210 ======================= Grid point 34 (23/102) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 4.819 4.819 -1.340) 6.945 2.919 ( 13.959 13.959 -12.449) 23.338 2.950 ( 14.845 14.845 9.988) 23.249 3.333 ( 8.143 8.143 14.189) 18.274 3.527 ( -0.765 -0.765 -1.076) 1.525 3.821 ( -2.411 -2.411 3.791) 5.099 3.946 ( 4.595 4.595 4.917) 8.150 4.398 ( 3.097 3.097 -22.477) 22.900 4.695 ( -7.771 -7.771 -6.815) 12.932 4.777 ( -3.018 -3.018 -9.459) 10.377 5.073 ( -3.613 -3.613 -1.511) 5.328 5.400 ( -3.140 -3.140 -21.517) 21.971 6.022 ( 1.977 1.977 16.823) 17.054 6.138 ( 0.079 0.079 16.168) 16.168 6.604 ( 0.993 0.993 2.382) 2.765 6.674 ( 1.936 1.936 -4.165) 4.984 7.254 ( -3.809 -3.809 -0.579) 5.418 7.431 ( -6.104 -6.104 -7.635) 11.524 7.645 ( 4.811 4.811 -0.038) 6.804 8.300 ( -4.326 -4.326 -6.308) 8.787 10.062 ( 3.540 3.540 -1.869) 5.343 10.401 ( 6.882 6.882 -3.017) 10.189 10.933 ( -0.674 -0.674 6.486) 6.555 11.475 ( -3.769 -3.769 7.693) 9.359 11.649 ( -0.115 -0.115 3.307) 3.311 11.819 ( 0.068 0.068 3.352) 3.353 13.650 ( -1.008 -1.008 -5.077) 5.273 14.024 ( -5.316 -5.316 -11.616) 13.837 21.657 ( -2.397 -2.397 0.387) 3.412 21.738 ( -3.399 -3.399 -3.026) 5.680 22.389 ( 6.066 6.066 4.269) 9.582 22.882 ( 6.385 6.385 9.389) 13.026 23.300 ( 9.036 9.036 -0.478) 12.788 24.258 ( -0.293 -0.293 -1.098) 1.173 24.307 ( -1.087 -1.087 -1.422) 2.094 25.214 ( -12.208 -12.208 -3.154) 17.551 ======================= Grid point 35 (24/102) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 27.873 -7.527 -7.565) 29.846 3.005 ( -0.254 11.602 0.089) 11.605 3.138 ( 10.051 -4.774 -7.202) 13.255 3.461 ( -0.622 17.503 -0.917) 17.538 3.666 ( 5.395 -6.254 -0.608) 8.281 3.882 ( -2.991 8.403 8.905) 12.604 4.069 ( 4.162 -0.392 6.772) 7.958 4.150 ( 3.517 4.950 -14.826) 16.021 4.431 ( -1.679 -10.306 -7.376) 12.784 4.513 ( -4.827 -3.889 -23.440) 24.246 4.965 ( -3.283 -4.345 -6.149) 8.214 5.046 ( -8.055 -1.076 -9.016) 12.138 6.277 ( 5.859 -3.393 13.639) 15.227 6.374 ( -0.298 2.591 8.606) 8.992 6.632 ( 2.012 -0.884 0.877) 2.366 6.683 ( -1.938 4.047 -1.140) 4.629 7.109 ( -2.609 -3.676 -6.624) 8.012 7.267 ( -10.176 0.656 -9.229) 13.754 7.723 ( 10.547 0.359 2.467) 10.838 8.214 ( -7.699 4.000 -2.785) 9.112 10.070 ( 7.670 1.747 -1.911) 8.095 10.440 ( -0.395 8.264 -4.939) 9.635 11.098 ( 3.855 -0.397 15.495) 15.972 11.595 ( -3.303 -4.318 12.678) 13.795 11.714 ( -0.923 -0.357 6.242) 6.320 11.854 ( -1.641 -0.981 3.166) 3.699 13.496 ( 3.093 -3.995 -11.457) 12.521 13.775 ( -8.642 1.714 -16.438) 18.650 21.631 ( -2.169 -2.023 -0.108) 2.968 21.681 ( -5.247 0.071 -1.322) 5.411 22.550 ( 8.731 5.294 6.732) 12.230 23.087 ( 4.947 -2.105 12.782) 13.867 23.402 ( 12.659 8.328 -2.231) 15.316 24.240 ( 1.636 -0.587 0.438) 1.792 24.300 ( -3.844 2.427 -0.916) 4.637 24.992 ( -14.462 -9.289 -6.352) 18.324 ======================= Grid point 36 (25/102) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 26.537 -11.278 -8.455) 30.048 2.802 ( 20.517 -9.173 -18.875) 29.349 3.110 ( 0.676 3.120 -1.731) 3.632 3.400 ( -0.539 -8.455 -10.038) 13.135 3.688 ( 1.539 -7.009 -7.670) 10.504 3.877 ( 0.688 6.403 -9.026) 11.088 4.021 ( -0.900 -1.235 -1.731) 2.309 4.178 ( 6.583 -9.911 3.487) 12.399 4.188 ( 4.938 -2.503 -3.479) 6.538 4.369 ( -9.551 8.088 5.667) 13.739 4.867 ( -4.601 1.886 -4.565) 6.750 5.040 ( -8.933 6.525 2.812) 11.414 6.378 ( 4.880 -4.139 7.093) 9.553 6.426 ( 2.785 -2.949 0.847) 4.144 6.536 ( 4.067 -9.301 -2.771) 10.522 6.732 ( -5.726 5.900 -3.189) 8.819 7.060 ( -5.597 10.536 -7.688) 14.193 7.173 ( -8.738 5.225 -7.447) 12.614 7.691 ( 10.312 -6.721 0.258) 12.311 8.332 ( -9.758 12.495 1.530) 15.927 10.044 ( 10.139 -0.995 -2.253) 10.434 10.505 ( -4.690 9.218 -0.893) 10.381 11.351 ( 4.937 -0.155 15.883) 16.634 11.657 ( 5.107 -8.476 6.729) 11.967 11.751 ( -7.146 -4.941 2.656) 9.085 12.048 ( -4.575 6.361 18.167) 19.785 13.202 ( 3.646 -5.515 -17.056) 18.293 13.565 ( -8.132 6.670 -19.645) 22.283 21.606 ( -2.199 -0.909 -0.328) 2.402 21.689 ( -5.630 2.175 -0.063) 6.036 22.732 ( 13.802 4.130 7.825) 16.395 23.199 ( 4.774 -9.545 12.579) 16.496 23.461 ( 8.371 3.260 0.283) 8.988 24.241 ( -4.492 3.985 -4.612) 7.571 24.349 ( 0.837 2.768 2.269) 3.676 24.785 ( -13.760 -3.896 -8.004) 16.388 ======================= Grid point 37 (26/102) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 16.383 -16.998 -11.772) 26.380 2.439 ( 38.430 -6.587 -11.576) 40.673 2.991 ( 5.639 -19.725 -6.415) 21.495 3.075 ( 7.818 -18.821 -9.876) 22.647 3.269 ( -8.031 -3.050 -8.345) 11.977 3.903 ( 11.481 -8.964 1.953) 14.696 3.945 ( 10.291 -14.621 1.711) 17.961 4.171 ( -7.211 4.640 3.794) 9.376 4.279 ( 0.748 15.940 0.807) 15.978 4.490 ( -13.395 3.081 -1.108) 13.790 4.861 ( -4.721 4.372 -2.184) 6.795 5.326 ( -9.251 13.881 14.213) 21.915 6.362 ( 3.322 -5.665 -1.221) 6.679 6.370 ( 3.183 -5.190 -1.642) 6.306 6.412 ( 3.663 -4.093 2.758) 6.146 6.732 ( -3.430 3.155 -4.610) 6.555 7.104 ( -6.505 12.857 -8.645) 16.803 7.149 ( -7.295 6.629 -6.602) 11.864 7.591 ( 6.656 -6.435 -0.583) 9.276 8.540 ( -10.328 13.081 1.781) 16.762 9.980 ( 8.640 -3.402 -1.834) 9.466 10.680 ( -6.615 11.386 5.358) 14.217 11.472 ( 0.465 -2.435 -1.932) 3.143 11.632 ( 11.519 -11.307 11.670) 19.918 11.737 ( -6.509 -2.585 2.158) 7.329 12.487 ( -5.515 7.784 24.846) 26.615 12.870 ( 3.670 -5.033 -15.270) 16.492 13.328 ( -6.317 6.599 -23.529) 25.240 21.597 ( -1.917 0.244 -0.227) 1.946 21.733 ( -5.702 3.897 0.276) 6.912 22.833 ( 17.620 -3.501 2.474) 18.134 23.296 ( 2.379 -8.135 18.481) 20.332 23.504 ( 4.692 0.405 1.637) 4.986 24.178 ( -11.578 6.382 -13.077) 18.595 24.390 ( 2.052 -0.789 0.343) 2.225 24.691 ( -7.189 3.303 -2.947) 8.442 ======================= Grid point 38 (27/102) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 17.745 -17.745 -0.000) 25.095 2.225 ( 24.172 -24.172 -0.000) 34.185 2.428 ( 27.137 -27.137 -0.000) 38.377 2.872 ( 10.242 -10.242 -0.000) 14.485 3.265 ( -8.739 8.739 0.000) 12.358 3.723 ( 17.465 -17.465 -0.000) 24.699 3.754 ( 13.212 -13.212 -0.000) 18.684 4.348 ( -10.343 10.343 0.000) 14.627 4.474 ( -5.343 5.343 0.000) 7.556 4.487 ( -6.773 6.773 0.000) 9.578 4.902 ( -3.702 3.702 0.000) 5.235 5.694 ( -14.722 14.722 0.000) 20.819 6.294 ( 2.585 -2.585 -0.000) 3.655 6.296 ( 2.310 -2.310 -0.000) 3.267 6.391 ( 3.044 -3.044 -0.000) 4.305 6.705 ( -0.925 0.925 0.000) 1.308 7.075 ( 0.262 -0.262 -0.000) 0.371 7.233 ( -9.179 9.179 0.000) 12.981 7.531 ( 0.685 -0.685 -0.000) 0.969 8.720 ( -10.875 10.875 0.000) 15.379 9.905 ( 5.285 -5.285 -0.000) 7.474 10.926 ( -12.734 12.734 0.000) 18.009 11.358 ( 4.681 -4.681 -0.000) 6.620 11.580 ( 11.664 -11.664 -0.000) 16.495 11.758 ( -2.559 2.559 0.000) 3.619 12.660 ( 5.547 -5.547 -0.000) 7.845 12.946 ( -9.172 9.172 0.000) 12.971 13.065 ( -2.671 2.671 0.000) 3.777 21.606 ( -1.446 1.446 0.000) 2.044 21.800 ( -5.644 5.644 0.000) 7.982 22.735 ( 11.513 -11.513 -0.000) 16.282 23.415 ( 4.997 -4.997 -0.000) 7.067 23.515 ( 2.330 -2.330 -0.000) 3.295 24.129 ( -10.279 10.279 0.000) 14.537 24.371 ( 1.460 -1.460 -0.000) 2.065 24.731 ( -4.234 4.234 0.000) 5.988 ======================= Grid point 45 (28/102) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 2.192 2.192 -6.078) 6.823 2.791 ( 0.594 0.594 -13.219) 13.246 3.253 ( 10.688 10.688 -8.080) 17.139 3.447 ( 11.166 11.166 -8.535) 17.950 3.624 ( -3.088 -3.088 -2.638) 5.102 3.788 ( 2.019 2.019 -9.582) 9.999 4.119 ( -4.585 -4.585 -8.704) 10.854 4.159 ( -4.228 -4.228 -1.495) 6.164 4.306 ( 2.578 2.578 5.326) 6.454 4.347 ( -2.440 -2.440 9.205) 9.830 4.849 ( -2.443 -2.443 -3.791) 5.129 4.851 ( -3.069 -3.069 -4.986) 6.610 6.473 ( 1.580 1.580 4.122) 4.689 6.475 ( 1.405 1.405 4.198) 4.644 6.613 ( -0.954 -0.954 -1.721) 2.187 6.674 ( -0.585 -0.585 -0.190) 0.849 6.946 ( -1.763 -1.763 -9.287) 9.616 7.025 ( -2.654 -2.654 -9.380) 10.103 7.904 ( 5.070 5.070 3.921) 8.172 8.091 ( -1.714 -1.714 -2.112) 3.215 10.161 ( 6.129 6.129 0.333) 8.674 10.364 ( 2.058 2.058 -4.962) 5.752 11.388 ( 1.730 1.730 14.626) 14.829 11.723 ( -7.088 -7.088 6.052) 11.709 11.835 ( 0.884 0.884 11.444) 11.512 11.905 ( -1.074 -1.074 12.504) 12.596 13.329 ( 0.398 0.398 -15.447) 15.457 13.399 ( -2.222 -2.222 -20.324) 20.566 21.614 ( -1.470 -1.470 0.330) 2.105 21.618 ( -1.591 -1.591 -0.370) 2.280 22.799 ( 9.242 9.242 9.899) 16.396 23.301 ( -4.534 -4.534 14.239) 15.616 23.510 ( 12.430 12.430 -6.621) 18.784 24.158 ( -6.078 -6.078 -5.414) 10.159 24.342 ( 3.676 3.676 3.895) 6.496 24.718 ( -9.717 -9.717 -6.468) 15.188 ======================= Grid point 47 (29/102) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 13.083 -15.654 -12.069) 23.704 2.732 ( -7.297 7.762 -11.570) 15.727 3.170 ( 28.942 -0.611 -5.980) 29.559 3.351 ( 7.298 -8.777 -3.565) 11.958 3.609 ( 2.940 -21.868 -5.638) 22.774 3.795 ( 0.362 23.331 -2.523) 23.470 3.914 ( -8.877 1.635 0.973) 9.078 4.100 ( -16.717 1.500 -3.437) 17.133 4.402 ( 8.275 -7.868 6.774) 13.277 4.437 ( 8.444 -10.153 7.302) 15.090 4.730 ( -3.608 2.135 -5.441) 6.869 4.962 ( -13.388 15.451 4.421) 20.917 6.487 ( 5.344 -3.749 0.586) 6.554 6.499 ( 3.833 -3.100 1.101) 5.052 6.561 ( 4.327 -7.527 -1.362) 8.788 6.649 ( -2.187 1.296 0.486) 2.588 6.854 ( -5.084 9.355 -8.355) 13.534 6.921 ( -10.737 5.631 -7.281) 14.142 7.861 ( 12.896 -10.779 0.606) 16.819 8.205 ( -11.714 13.588 0.963) 17.966 10.170 ( 11.174 -4.357 -0.734) 12.016 10.421 ( -6.783 11.820 -0.205) 13.629 11.531 ( 1.473 -2.795 3.664) 4.838 11.660 ( -7.379 -3.096 -0.079) 8.002 11.968 ( 11.926 -11.387 15.804) 22.840 12.267 ( -9.094 9.920 20.615) 24.619 13.000 ( 4.970 -5.496 -16.298) 17.904 13.155 ( -6.151 6.071 -19.951) 21.743 21.588 ( -0.207 -1.281 0.088) 1.301 21.631 ( -3.410 1.884 0.262) 3.904 23.076 ( 16.686 5.037 10.028) 20.109 23.399 ( -2.228 -6.824 11.128) 13.243 23.549 ( 7.403 5.242 -3.048) 9.570 23.948 ( -15.843 -3.336 -12.527) 20.471 24.440 ( 4.305 0.544 2.348) 4.934 24.576 ( -5.854 0.189 -2.100) 6.222 ======================= Grid point 48 (30/102) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 15.799 -15.799 -0.000) 22.343 2.691 ( 3.100 -3.100 -0.000) 4.385 3.124 ( 23.943 -23.943 -0.000) 33.860 3.137 ( 5.768 -5.768 -0.000) 8.157 3.180 ( 11.648 -11.648 -0.000) 16.472 3.991 ( -0.092 0.092 0.000) 0.130 4.047 ( -11.232 11.232 0.000) 15.885 4.116 ( -1.952 1.952 0.000) 2.760 4.313 ( 7.099 -7.099 -0.000) 10.040 4.361 ( 1.434 -1.434 -0.000) 2.027 4.765 ( -6.481 6.481 0.000) 9.165 5.258 ( -17.220 17.220 0.000) 24.353 6.413 ( 5.999 -5.999 -0.000) 8.484 6.428 ( 7.093 -7.093 -0.000) 10.030 6.476 ( 3.032 -3.032 -0.000) 4.287 6.672 ( -1.250 1.250 0.000) 1.768 6.927 ( -9.047 9.047 0.000) 12.794 6.965 ( -10.169 10.169 0.000) 14.382 7.713 ( 10.776 -10.776 -0.000) 15.240 8.396 ( -12.693 12.693 0.000) 17.950 10.077 ( 7.421 -7.421 -0.000) 10.494 10.596 ( -11.474 11.474 0.000) 16.226 11.475 ( 4.103 -4.103 -0.000) 5.803 11.679 ( -3.244 3.244 0.000) 4.588 11.934 ( 13.817 -13.817 -0.000) 19.541 12.659 ( -11.871 11.871 0.000) 16.789 12.792 ( 4.285 -4.285 -0.000) 6.060 12.986 ( -3.086 3.086 0.000) 4.364 21.582 ( -0.237 0.237 0.000) 0.335 21.672 ( -3.725 3.725 0.000) 5.269 23.076 ( 13.398 -13.398 -0.000) 18.948 23.524 ( 2.926 -2.926 -0.000) 4.138 23.565 ( 1.184 -1.184 -0.000) 1.674 23.813 ( -12.729 12.729 0.000) 18.001 24.425 ( 2.565 -2.565 -0.000) 3.628 24.615 ( -4.168 4.168 0.000) 5.894 ======================= Grid point 58 (31/102) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 13.156 -13.156 -0.000) 18.605 2.470 ( -13.156 13.156 0.000) 18.605 3.390 ( 1.573 -1.573 -0.000) 2.225 3.390 ( -1.573 1.573 0.000) 2.225 3.717 ( 19.416 -19.416 -0.000) 27.458 3.717 ( -19.416 19.416 0.000) 27.458 3.845 ( 1.228 -1.228 -0.000) 1.737 3.845 ( -1.228 1.228 0.000) 1.737 4.553 ( 8.832 -8.832 -0.000) 12.490 4.553 ( -8.832 8.832 0.000) 12.490 4.769 ( 18.522 -18.522 -0.000) 26.194 4.769 ( -18.522 18.522 0.000) 26.194 6.533 ( 0.050 -0.050 -0.000) 0.070 6.533 ( -0.050 0.050 0.000) 0.070 6.662 ( 9.704 -9.704 -0.000) 13.723 6.662 ( -9.704 9.704 0.000) 13.723 6.714 ( 6.786 -6.786 -0.000) 9.598 6.714 ( -6.786 6.786 0.000) 9.598 8.044 ( 12.955 -12.955 -0.000) 18.322 8.044 ( -12.955 12.955 0.000) 18.322 10.309 ( 9.582 -9.582 -0.000) 13.551 10.309 ( -9.582 9.582 0.000) 13.551 11.583 ( 3.789 -3.789 -0.000) 5.359 11.583 ( -3.789 3.789 0.000) 5.359 12.310 ( 13.597 -13.597 -0.000) 19.229 12.310 ( -13.597 13.597 0.000) 19.229 12.897 ( 3.525 -3.525 -0.000) 4.985 12.897 ( -3.525 3.525 0.000) 4.985 21.599 ( 1.606 -1.606 -0.000) 2.272 21.599 ( -1.606 1.606 0.000) 2.272 23.450 ( 13.815 -13.815 -0.000) 19.537 23.450 ( -13.815 13.815 0.000) 19.537 23.573 ( 0.698 -0.698 -0.000) 0.987 23.573 ( -0.698 0.698 0.000) 0.987 24.509 ( 3.570 -3.570 -0.000) 5.049 24.509 ( -3.570 3.570 0.000) 5.049 ======================= Grid point 116 (32/102) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 17.816 17.816 16.184) 29.946 1.750 ( 24.679 24.679 13.594) 37.455 2.571 ( 10.879 10.879 36.654) 39.753 2.761 ( 8.855 8.855 18.473) 22.318 3.260 ( 13.073 13.073 -2.075) 18.604 3.417 ( 13.675 13.675 2.979) 19.567 3.774 ( -8.227 -8.227 5.725) 12.967 4.244 ( 0.825 0.825 4.762) 4.903 4.273 ( 2.091 2.091 -18.433) 18.669 4.946 ( -8.059 -8.059 6.427) 13.085 5.020 ( -1.942 -1.942 2.693) 3.847 5.293 ( 0.097 0.097 -10.132) 10.133 6.138 ( 3.466 3.466 -11.543) 12.541 6.306 ( -0.768 -0.768 1.123) 1.562 6.346 ( -0.191 -0.191 3.860) 3.869 6.849 ( 3.470 3.470 5.602) 7.448 7.475 ( -6.224 -6.224 5.134) 10.190 7.550 ( -6.535 -6.535 5.532) 10.771 7.887 ( -13.365 -13.365 4.643) 19.463 8.897 ( -7.410 -7.410 -5.064) 11.638 9.863 ( 2.979 2.979 4.422) 6.108 10.451 ( 9.687 9.687 -17.443) 22.179 11.127 ( 5.538 5.538 -4.492) 9.029 11.692 ( -4.579 -4.579 -0.101) 6.477 11.734 ( -1.765 -1.765 -4.860) 5.463 12.284 ( -2.435 -2.435 -24.571) 24.811 13.232 ( -10.006 -10.006 27.437) 30.872 13.920 ( -5.028 -5.028 20.107) 21.328 21.673 ( -2.121 -2.121 1.183) 3.224 21.964 ( -6.474 -6.474 0.124) 9.156 22.459 ( 8.641 8.641 -0.056) 12.220 22.532 ( 14.258 14.258 -22.116) 29.928 23.330 ( 3.026 3.026 -6.235) 7.563 24.356 ( 0.255 0.255 0.192) 0.409 24.488 ( -1.034 -1.034 -2.197) 2.639 25.255 ( -14.688 -14.688 15.746) 26.065 ======================= Grid point 117 (33/102) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 29.816 5.797 16.496) 34.565 2.368 ( 10.387 27.356 15.649) 33.183 2.792 ( 7.551 6.670 0.381) 10.082 3.404 ( 8.571 17.064 -5.895) 19.985 3.539 ( 7.816 13.827 22.079) 27.198 3.648 ( -4.725 -4.736 -0.911) 6.752 3.747 ( 7.194 13.064 19.865) 24.840 4.059 ( 3.728 1.204 -7.335) 8.316 4.504 ( -2.767 -0.642 22.684) 22.861 4.844 ( -5.521 -14.278 0.410) 15.314 5.039 ( -2.202 -2.287 3.337) 4.607 5.176 ( -4.830 -2.259 -2.513) 5.895 5.992 ( 3.976 5.036 -14.750) 16.085 6.319 ( -0.193 1.134 -0.100) 1.154 6.421 ( 1.210 1.382 4.369) 4.740 6.997 ( -0.472 2.239 6.977) 7.343 7.355 ( -1.459 -8.476 -7.207) 11.221 7.542 ( -7.719 -8.402 3.667) 11.984 7.720 ( -4.915 -8.164 -1.223) 9.607 8.694 ( -6.957 -9.127 -6.083) 12.989 9.960 ( 5.159 1.182 4.268) 6.799 10.421 ( 3.036 11.284 -6.505) 13.373 11.079 ( 2.823 0.986 -8.244) 8.769 11.574 ( 1.649 -6.054 -2.642) 6.808 11.685 ( -5.014 2.098 -4.300) 6.931 11.940 ( -0.653 -2.311 -15.156) 15.345 13.447 ( -4.061 -6.584 16.552) 18.271 14.099 ( -6.870 -5.453 12.791) 15.509 21.668 ( -3.670 -1.234 1.034) 4.008 21.894 ( -8.335 -4.878 0.730) 9.685 22.414 ( 12.404 7.197 -11.385) 18.310 22.592 ( 9.927 11.188 -2.276) 15.129 23.287 ( 5.463 3.631 -4.911) 8.194 24.331 ( 2.321 -2.824 -1.554) 3.972 24.439 ( -1.740 -0.142 -2.449) 3.007 25.262 ( -14.629 -11.868 9.723) 21.199 ======================= Grid point 118 (34/102) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 29.327 3.942 16.239) 33.754 2.691 ( 11.496 2.636 -5.818) 13.151 3.024 ( 8.120 18.658 10.862) 23.066 3.535 ( -3.181 -5.660 -2.318) 6.894 3.554 ( -1.678 18.185 -4.475) 18.803 3.809 ( 6.231 11.242 0.787) 12.878 3.862 ( 4.079 0.569 -5.662) 7.002 4.385 ( 2.841 -11.722 11.827) 16.893 4.703 ( -2.987 -2.881 21.312) 21.712 4.880 ( -1.711 1.683 16.661) 16.833 5.055 ( -2.852 -1.784 2.494) 4.188 5.170 ( -4.408 3.107 3.519) 6.440 5.850 ( 3.303 4.009 -9.699) 11.002 6.282 ( -1.637 -0.507 -8.401) 8.574 6.511 ( 2.997 2.795 2.819) 4.974 6.935 ( -4.455 -10.564 -9.480) 14.877 7.198 ( -0.367 0.825 -0.951) 1.312 7.493 ( -0.919 -3.198 4.269) 5.413 7.659 ( -3.061 -3.490 0.082) 4.643 8.492 ( -6.847 -7.194 -4.602) 10.946 10.022 ( 5.406 0.262 2.494) 5.959 10.521 ( -0.688 10.857 -1.060) 10.930 10.914 ( 2.517 -6.382 -7.135) 9.898 11.476 ( -2.966 -1.128 -3.656) 4.841 11.634 ( -0.039 0.075 -3.823) 3.824 11.781 ( 1.896 -0.272 -3.956) 4.396 13.574 ( -0.392 -2.688 8.218) 8.655 14.175 ( -8.706 -3.849 5.837) 11.166 21.669 ( -4.502 -0.544 0.620) 4.577 21.853 ( -10.221 -2.640 0.642) 10.576 22.359 ( 10.277 3.704 -5.687) 12.316 22.687 ( 11.578 6.616 -1.501) 13.419 23.282 ( 10.109 3.126 -2.038) 10.775 24.251 ( 2.114 -3.655 -1.897) 4.628 24.411 ( -2.133 0.089 -1.257) 2.478 25.247 ( -15.352 -6.295 4.734) 17.255 ======================= Grid point 119 (35/102) ======================= q-point: (-0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 35.658 0.000 -0.000) 35.658 2.568 ( 7.258 0.000 0.000) 7.258 3.349 ( -4.786 0.000 0.000) 4.786 3.376 ( 6.932 -0.000 -0.000) 6.932 3.728 ( -0.085 0.000 0.000) 0.085 3.796 ( 3.444 0.000 -0.000) 3.444 3.907 ( 0.755 0.000 0.000) 0.755 4.238 ( 1.496 0.000 0.000) 1.496 4.932 ( 5.205 0.000 0.000) 5.205 4.997 ( -11.380 0.000 -0.000) 11.380 5.064 ( -2.989 0.000 0.000) 2.989 5.327 ( 2.944 0.000 0.000) 2.944 5.914 ( 1.955 0.000 0.000) 1.955 6.038 ( -5.261 0.000 0.000) 5.261 6.548 ( 4.810 0.000 0.000) 4.810 6.778 ( -1.046 0.000 0.000) 1.046 7.190 ( -4.014 0.000 0.000) 4.014 7.579 ( -9.681 -0.000 -0.000) 9.681 7.583 ( 8.769 0.000 0.000) 8.769 8.400 ( -7.057 0.000 0.000) 7.057 10.043 ( 5.137 0.000 0.000) 5.137 10.632 ( -5.002 -0.000 0.000) 5.002 10.766 ( 6.087 0.000 0.000) 6.087 11.438 ( -6.181 0.000 0.000) 6.181 11.602 ( 3.382 0.000 0.000) 3.382 11.757 ( 2.586 0.000 0.000) 2.586 13.620 ( 0.935 0.000 0.000) 0.935 14.190 ( -9.591 0.000 0.000) 9.591 21.671 ( -4.689 0.000 0.000) 4.689 21.840 ( -11.115 0.000 0.000) 11.115 22.340 ( 9.730 0.000 0.000) 9.730 22.721 ( 11.547 0.000 0.000) 11.547 23.292 ( 13.183 0.000 0.000) 13.183 24.207 ( 1.151 0.000 0.000) 1.151 24.402 ( -2.154 0.000 0.000) 2.154 25.240 ( -15.696 0.000 0.000) 15.696 ======================= Grid point 125 (36/102) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.300 ( 11.170 -0.000 0.000) 11.170 0.797 ( 28.803 -0.000 0.000) 28.803 1.555 ( 54.840 -0.000 0.000) 54.840 2.575 ( 3.147 -0.000 0.000) 3.147 3.097 ( 16.351 -0.000 0.000) 16.351 3.143 ( 16.640 -0.000 0.000) 16.640 3.607 ( -5.232 0.000 -0.000) 5.232 4.586 ( -3.080 0.000 -0.000) 3.080 4.606 ( 0.401 -0.000 0.000) 0.401 4.778 ( -2.131 0.000 -0.000) 2.131 4.993 ( -0.796 0.000 -0.000) 0.796 6.089 ( -12.062 0.000 -0.000) 12.062 6.254 ( -4.799 0.000 -0.000) 4.799 6.362 ( 1.191 -0.000 0.000) 1.191 6.441 ( -0.409 0.000 -0.000) 0.409 6.714 ( 4.782 -0.000 0.000) 4.782 6.717 ( 0.088 -0.000 0.000) 0.088 7.619 ( -1.416 0.000 -0.000) 1.416 7.656 ( -12.323 0.000 -0.000) 12.323 9.086 ( -7.945 0.000 -0.000) 7.945 9.707 ( 0.444 -0.000 0.000) 0.444 11.071 ( 9.584 -0.000 0.000) 9.584 11.335 ( 6.488 -0.000 0.000) 6.488 11.450 ( -20.398 0.000 -0.000) 20.398 11.895 ( 1.897 -0.000 0.000) 1.897 12.345 ( 10.303 -0.000 0.000) 10.303 13.168 ( -1.520 0.000 -0.000) 1.520 13.238 ( -5.599 0.000 -0.000) 5.599 21.705 ( -0.511 0.000 -0.000) 0.511 22.157 ( -4.501 0.000 -0.000) 4.501 22.240 ( 0.986 -0.000 0.000) 0.986 23.185 ( 11.492 -0.000 0.000) 11.492 23.328 ( -3.261 0.000 -0.000) 3.261 24.335 ( 0.112 -0.000 0.000) 0.112 24.473 ( -4.374 0.000 -0.000) 4.374 24.927 ( -2.298 0.000 -0.000) 2.298 ======================= Grid point 128 (37/102) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 11.087 11.087 14.136) 21.111 2.818 ( 19.789 19.789 15.207) 31.851 2.912 ( 10.988 10.988 -0.664) 15.553 3.352 ( 7.435 7.435 -13.324) 16.973 3.553 ( -2.244 -2.244 -0.489) 3.211 3.778 ( 7.977 7.977 1.591) 11.393 3.894 ( 2.808 2.808 -4.299) 5.853 4.528 ( 7.087 7.087 35.779) 37.157 4.626 ( -13.738 -13.738 3.711) 19.779 4.914 ( 3.439 3.439 10.216) 11.314 5.048 ( -3.124 -3.124 2.550) 5.102 5.093 ( -3.765 -3.765 4.263) 6.821 5.846 ( 3.545 3.545 -9.138) 10.423 6.275 ( -0.172 -0.172 -7.489) 7.493 6.509 ( 1.989 1.989 3.959) 4.857 6.978 ( -7.875 -7.875 -8.629) 14.089 7.195 ( 2.093 2.093 -3.039) 4.242 7.505 ( -7.572 -7.572 2.756) 11.057 7.665 ( -0.704 -0.704 0.213) 1.019 8.493 ( -8.027 -8.027 -6.101) 12.888 10.070 ( 3.528 3.528 1.895) 5.336 10.426 ( 5.342 5.342 -0.964) 7.616 10.975 ( 0.065 0.065 -7.476) 7.477 11.466 ( -4.291 -4.291 -6.225) 8.693 11.632 ( 1.357 1.357 -0.714) 2.048 11.798 ( 0.235 0.235 -3.897) 3.911 13.595 ( -2.554 -2.554 8.995) 9.693 14.134 ( -7.021 -7.021 4.595) 10.941 21.640 ( -2.406 -2.406 0.725) 3.480 21.799 ( -5.839 -5.839 -0.334) 8.264 22.409 ( 8.821 8.821 -7.121) 14.364 22.712 ( 6.433 6.433 1.514) 9.223 23.341 ( 10.102 10.102 -1.826) 14.402 24.322 ( -0.126 -0.126 -2.473) 2.480 24.372 ( -0.857 -0.857 -2.817) 3.066 25.174 ( -14.658 -14.658 5.700) 21.500 ======================= Grid point 129 (38/102) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 7.801 2.809 6.882) 10.775 2.932 ( 35.156 -0.943 -1.589) 35.205 3.229 ( -1.390 4.866 3.280) 6.031 3.447 ( 1.172 19.374 4.991) 20.041 3.529 ( 1.820 9.148 -3.808) 10.074 3.788 ( -0.399 -0.079 -3.077) 3.104 3.949 ( 6.541 2.261 1.595) 7.102 4.399 ( -6.245 -17.915 -0.580) 18.981 4.841 ( -7.363 1.959 0.510) 7.636 4.968 ( 6.322 5.877 -12.354) 15.071 5.037 ( -3.022 -2.180 -0.341) 3.742 5.366 ( 2.538 0.411 20.153) 20.316 5.898 ( -0.419 1.725 12.442) 12.568 6.021 ( -2.986 -3.725 -16.844) 17.508 6.586 ( 2.699 1.814 2.048) 3.843 6.771 ( -0.855 -0.797 -5.391) 5.517 7.189 ( -1.613 -4.283 0.540) 4.608 7.443 ( -10.181 -2.487 -0.962) 10.525 7.690 ( 7.080 2.263 0.443) 7.446 8.320 ( -8.308 -4.617 -3.960) 10.296 10.115 ( 5.960 1.706 -0.295) 6.206 10.507 ( -1.640 5.700 0.420) 5.946 10.880 ( 3.913 -1.909 -1.748) 4.692 11.364 ( -6.450 -2.841 0.311) 7.055 11.644 ( 3.293 1.371 -0.337) 3.583 11.785 ( 1.149 -0.115 0.861) 1.441 13.652 ( 1.104 -1.459 1.607) 2.435 14.072 ( -9.666 -3.627 -2.337) 10.585 21.624 ( -3.007 -1.224 0.415) 3.273 21.731 ( -6.854 -2.440 -1.051) 7.351 22.440 ( 9.088 4.867 -0.962) 10.355 22.801 ( 2.648 0.813 3.858) 4.749 23.474 ( 19.653 10.129 -0.734) 22.122 24.252 ( 2.204 -3.075 -1.786) 4.184 24.351 ( -3.238 2.085 -1.918) 4.302 25.059 ( -18.658 -10.119 1.725) 21.295 ======================= Grid point 130 (39/102) ======================= q-point: (-0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 18.014 -6.192 -8.237) 20.753 2.970 ( 26.136 0.041 4.369) 26.499 3.228 ( -5.299 -2.701 -4.446) 7.426 3.490 ( 6.217 -3.895 0.529) 7.355 3.724 ( 0.621 -3.012 0.171) 3.080 3.890 ( 2.452 15.335 4.899) 16.284 3.944 ( 1.975 -7.083 4.669) 8.710 4.233 ( -3.832 -1.645 -0.581) 4.210 4.710 ( 4.228 1.901 -27.769) 28.153 4.811 ( -3.081 4.701 -11.818) 13.087 4.992 ( -4.933 -0.679 -2.189) 5.439 5.206 ( -4.513 -9.151 -18.926) 21.501 5.968 ( 5.146 -4.733 15.330) 16.849 6.238 ( -1.503 4.015 15.518) 16.100 6.597 ( 2.858 -2.938 -0.677) 4.154 6.768 ( -2.501 5.730 0.371) 6.263 7.148 ( -2.142 1.491 -0.289) 2.626 7.388 ( -11.147 0.837 -5.081) 12.279 7.702 ( 9.451 -1.403 -0.632) 9.576 8.292 ( -9.570 4.869 0.748) 10.763 10.114 ( 7.578 0.246 -1.635) 7.756 10.542 ( -6.256 -0.126 -1.116) 6.356 10.929 ( 8.127 2.087 8.372) 11.853 11.402 ( -6.835 -0.740 7.224) 9.973 11.662 ( 3.060 0.180 1.176) 3.283 11.800 ( 0.310 -0.725 2.089) 2.233 13.589 ( 2.582 -2.181 -6.867) 7.654 13.991 ( -10.741 2.829 -7.312) 13.298 21.615 ( -3.032 -0.495 -0.164) 3.076 21.707 ( -7.112 1.100 -0.826) 7.244 22.514 ( 10.050 1.714 4.786) 11.263 22.854 ( 1.441 -4.967 6.465) 8.279 23.533 ( 22.337 0.843 -2.089) 22.451 24.239 ( 2.356 2.395 1.578) 3.712 24.361 ( -3.261 2.585 -0.994) 4.278 24.962 ( -20.900 -2.626 -2.958) 21.271 ======================= Grid point 131 (40/102) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 21.739 -9.638 -11.418) 26.379 2.854 ( 19.683 -13.727 -10.179) 26.066 3.062 ( 10.253 -12.154 -2.266) 16.061 3.449 ( -9.957 3.803 0.302) 10.663 3.731 ( 10.218 -8.752 5.015) 14.359 3.826 ( 6.175 -13.367 -10.283) 17.960 4.031 ( 7.530 -4.828 4.081) 9.831 4.122 ( 4.579 -4.831 -19.029) 20.159 4.344 ( -13.048 7.336 -11.580) 18.925 4.628 ( 0.991 11.337 -14.746) 18.627 4.961 ( -3.950 2.830 -3.516) 5.998 5.051 ( -8.807 2.207 1.868) 9.269 6.134 ( 5.741 -6.058 14.774) 16.968 6.366 ( 2.576 -2.700 2.450) 4.464 6.489 ( 2.685 -5.058 -4.119) 7.054 6.881 ( -6.855 7.947 -2.957) 10.904 7.258 ( -3.843 8.569 4.120) 10.255 7.333 ( -7.942 5.224 -6.381) 11.449 7.643 ( 3.966 -2.308 -2.549) 5.249 8.446 ( -9.653 10.435 3.992) 14.765 10.067 ( 7.423 -1.981 -3.043) 8.263 10.522 ( -3.196 -2.691 2.904) 5.088 11.134 ( 6.288 0.849 13.419) 14.844 11.528 ( -1.533 1.976 6.504) 6.968 11.661 ( -2.181 -3.080 0.613) 3.824 11.890 ( -1.727 2.700 10.463) 10.943 13.396 ( 1.121 -1.349 -14.644) 14.749 13.908 ( -8.850 6.648 -12.855) 16.964 21.610 ( -2.731 0.597 -0.511) 2.842 21.732 ( -6.420 3.728 -0.364) 7.433 22.636 ( 12.420 -0.422 10.096) 16.011 22.848 ( 2.831 -11.669 6.982) 13.890 23.471 ( 13.590 -5.229 0.023) 14.562 24.330 ( 4.098 3.840 2.469) 6.135 24.388 ( -3.214 2.916 -0.323) 4.352 24.901 ( -19.149 6.252 -8.112) 21.716 ======================= Grid point 132 (41/102) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 16.754 -16.754 -14.208) 27.628 2.414 ( 23.502 -23.502 -10.744) 34.930 2.856 ( 11.220 -11.220 -6.656) 17.206 3.125 ( 15.947 -15.947 -34.481) 41.201 3.520 ( -9.836 9.836 -7.009) 15.577 3.652 ( 14.759 -14.759 4.069) 21.265 3.785 ( 12.809 -12.809 -2.548) 18.293 4.217 ( -3.174 3.174 -6.144) 7.609 4.274 ( -2.097 2.097 13.031) 13.364 4.680 ( -11.086 11.086 -5.367) 16.571 4.952 ( -3.218 3.218 -3.007) 5.455 5.221 ( -5.396 5.396 12.210) 14.399 6.249 ( 4.644 -4.644 9.861) 11.848 6.327 ( 2.487 -2.487 -0.988) 3.653 6.373 ( 2.436 -2.436 -4.276) 5.491 6.867 ( -2.933 2.933 -6.676) 7.859 7.340 ( -8.710 8.710 -6.107) 13.749 7.371 ( -3.415 3.415 -3.498) 5.963 7.603 ( -4.923 4.923 -4.545) 8.314 8.655 ( -10.240 10.240 4.042) 15.035 9.968 ( 4.746 -4.746 -3.644) 7.637 10.599 ( 0.928 -0.928 11.259) 11.336 11.302 ( 6.807 -6.807 12.348) 15.658 11.578 ( -2.163 2.163 -5.531) 6.321 11.676 ( -2.460 2.460 5.151) 6.215 12.197 ( -4.041 4.041 22.233) 22.956 13.114 ( 0.136 -0.136 -20.733) 20.734 13.756 ( -6.941 6.941 -19.486) 21.819 21.617 ( -1.835 1.835 -0.639) 2.673 21.794 ( -5.729 5.729 0.049) 8.102 22.721 ( 10.084 -10.084 0.878) 14.288 22.843 ( 8.771 -8.771 20.767) 24.190 23.433 ( 4.772 -4.772 3.994) 7.842 24.372 ( 0.942 -0.942 0.507) 1.425 24.422 ( -4.208 4.208 -2.586) 6.488 24.882 ( -12.407 12.407 -11.349) 20.897 ======================= Grid point 134 (42/102) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 6.001 -50.284 -0.000) 50.640 1.240 ( 26.096 -8.292 -0.000) 27.382 2.277 ( 49.813 -1.090 -0.000) 49.825 2.680 ( 8.846 -3.819 -0.000) 9.635 3.382 ( 19.481 -5.795 -0.000) 20.324 3.444 ( 17.818 -7.920 -0.000) 19.499 3.484 ( -6.876 5.501 0.000) 8.806 4.492 ( -11.324 0.359 0.000) 11.330 4.611 ( 0.461 0.577 0.000) 0.739 4.661 ( -3.375 10.733 0.000) 11.251 4.968 ( -1.920 1.218 0.000) 2.274 5.897 ( -18.513 -0.406 0.000) 18.517 6.220 ( -0.689 -1.448 -0.000) 1.604 6.361 ( 2.225 2.980 0.000) 3.719 6.391 ( 2.274 4.375 0.000) 4.930 6.715 ( -0.589 -0.030 0.000) 0.589 6.877 ( 4.550 -10.214 -0.000) 11.182 7.423 ( -12.536 5.265 0.000) 13.597 7.595 ( -4.112 1.047 0.000) 4.243 8.926 ( -11.320 3.994 0.000) 12.004 9.748 ( 0.695 -4.622 -0.000) 4.674 11.140 ( -20.969 3.306 0.000) 21.228 11.252 ( 12.213 -3.936 -0.000) 12.832 11.430 ( 9.140 0.744 -0.000) 9.171 11.888 ( 2.573 4.969 0.000) 5.596 12.503 ( 7.156 -4.629 -0.000) 8.522 13.123 ( -7.967 3.410 0.000) 8.667 13.129 ( -2.289 1.756 0.000) 2.885 21.675 ( -0.573 2.794 0.000) 2.852 22.001 ( -4.918 8.729 0.000) 10.020 22.371 ( 1.912 -12.652 -0.000) 12.796 23.323 ( -6.196 -7.543 -0.000) 9.762 23.367 ( 14.038 -0.194 -0.000) 14.039 24.340 ( 0.246 -0.636 -0.000) 0.682 24.381 ( -4.052 5.117 0.000) 6.527 24.853 ( -3.664 4.146 0.000) 5.533 ======================= Grid point 135 (43/102) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 8.506 -0.000 17.453) 19.415 1.476 ( 22.543 -0.000 31.522) 38.753 2.389 ( 47.011 -0.000 16.743) 49.903 2.665 ( 7.660 -0.000 1.247) 7.761 3.350 ( 19.561 -0.000 0.277) 19.563 3.387 ( 17.971 -0.000 0.445) 17.976 3.636 ( -6.931 0.000 14.000) 15.622 4.354 ( -0.558 0.000 -20.499) 20.506 4.467 ( -8.789 0.000 -4.151) 9.720 4.946 ( -1.592 0.000 10.680) 10.798 5.005 ( -1.509 0.000 6.004) 6.191 5.454 ( -6.184 0.000 -35.941) 36.469 6.232 ( -0.562 0.000 2.425) 2.489 6.299 ( 4.121 -0.000 -8.000) 8.999 6.382 ( 1.677 -0.000 0.010) 1.678 6.819 ( 6.980 -0.000 3.540) 7.827 7.135 ( -15.003 0.000 24.503) 28.731 7.560 ( -19.859 0.000 13.098) 23.789 7.619 ( -2.048 0.000 2.797) 3.466 8.935 ( -11.117 0.000 -2.479) 11.390 9.735 ( 0.520 -0.000 2.669) 2.719 10.874 ( 4.252 -0.000 -24.437) 24.804 11.197 ( 10.482 -0.000 -3.310) 10.993 11.541 ( -9.280 0.000 4.885) 10.487 11.902 ( 2.609 -0.000 -3.084) 4.040 12.628 ( -5.871 0.000 -10.331) 11.883 12.810 ( -0.638 0.000 10.915) 10.933 13.576 ( -5.647 0.000 26.852) 27.440 21.705 ( -0.712 0.000 1.064) 1.280 22.087 ( -5.044 0.000 -0.073) 5.044 22.250 ( 1.484 -0.000 -0.845) 1.708 22.961 ( 13.041 -0.000 -27.579) 30.507 23.386 ( 3.925 -0.000 -2.506) 4.657 24.312 ( -2.025 0.000 -0.773) 2.167 24.482 ( -3.467 0.000 3.038) 4.609 25.044 ( -8.661 0.000 17.701) 19.706 ======================= Grid point 139 (44/102) ======================= q-point: (-0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 4.384 4.384 1.734) 6.437 3.083 ( -2.267 -2.267 -6.393) 7.152 3.397 ( 16.364 16.364 3.886) 23.467 3.462 ( 5.399 5.399 -6.506) 10.031 3.715 ( 10.183 10.183 12.254) 18.909 3.736 ( -3.404 -3.404 -1.552) 5.058 4.038 ( 1.080 1.080 2.986) 3.354 4.246 ( -12.078 -12.078 -0.921) 17.106 4.724 ( 7.920 7.920 -28.743) 30.848 4.747 ( 0.968 0.968 -6.803) 6.940 4.959 ( -4.695 -4.695 -1.906) 6.908 5.244 ( -8.024 -8.024 -25.972) 28.343 6.088 ( 2.475 2.475 19.794) 20.101 6.146 ( 0.280 0.280 17.615) 17.619 6.639 ( 1.678 1.678 0.256) 2.387 6.717 ( 0.665 0.665 -2.663) 2.825 7.145 ( -2.781 -2.781 -2.781) 4.817 7.268 ( -5.608 -5.608 -5.404) 9.597 7.812 ( 6.794 6.794 1.760) 9.769 8.164 ( -5.674 -5.674 -2.767) 8.488 10.181 ( 5.235 5.235 -1.049) 7.477 10.471 ( -2.334 -2.334 -1.373) 3.575 10.990 ( 5.484 5.484 7.439) 10.746 11.349 ( -5.533 -5.533 8.695) 11.697 11.685 ( 2.414 2.414 0.562) 3.459 11.807 ( -1.094 -1.094 1.195) 1.955 13.650 ( 1.296 1.296 -4.722) 5.065 13.868 ( -5.864 -5.864 -9.142) 12.343 21.602 ( -1.411 -1.411 0.404) 2.036 21.645 ( -2.984 -2.984 -1.138) 4.371 22.573 ( 7.045 7.045 3.929) 10.710 22.892 ( -3.507 -3.507 8.868) 10.160 23.725 ( 19.267 19.267 -4.021) 27.542 24.264 ( 0.903 0.903 0.481) 1.365 24.272 ( -1.562 -1.562 -2.768) 3.542 24.824 ( -16.378 -16.378 -0.236) 23.164 ======================= Grid point 141 (45/102) ======================= q-point: (-0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 14.644 -10.442 -6.160) 19.011 3.052 ( -9.711 7.576 -4.991) 13.289 3.314 ( 23.484 -5.041 -3.777) 24.314 3.532 ( 3.912 -16.150 -4.218) 17.144 3.749 ( 1.949 18.164 0.326) 18.271 3.985 ( -5.707 9.444 0.727) 11.058 4.070 ( 0.916 -8.285 8.068) 11.601 4.140 ( -3.294 -7.194 1.793) 8.113 4.335 ( 8.476 -2.074 -26.705) 28.094 4.525 ( -0.406 4.575 -24.724) 25.147 4.875 ( -4.252 -0.103 -4.122) 5.923 4.905 ( -8.884 -0.342 -2.710) 9.294 6.304 ( 6.775 -5.543 13.531) 16.116 6.415 ( 0.837 2.057 8.374) 8.663 6.609 ( 2.259 -5.222 -1.979) 6.024 6.704 ( -3.760 4.493 -2.603) 6.411 7.086 ( -2.953 5.312 -4.417) 7.513 7.153 ( -8.762 1.966 -6.660) 11.180 7.840 ( 11.735 -6.439 0.213) 13.387 8.164 ( -11.392 8.648 1.222) 14.355 10.206 ( 9.316 -0.328 -1.347) 9.418 10.437 ( -7.199 1.644 -0.727) 7.420 11.223 ( 9.030 3.340 13.601) 16.664 11.465 ( -7.555 -3.186 12.642) 15.068 11.714 ( 3.040 -2.347 0.945) 3.955 11.821 ( -3.528 1.751 4.340) 5.860 13.492 ( 5.322 -5.166 -12.531) 14.561 13.695 ( -9.244 5.472 -13.049) 16.902 21.587 ( -0.783 -1.057 -0.034) 1.316 21.626 ( -3.768 1.429 -0.139) 4.032 22.756 ( 10.044 5.503 9.024) 14.581 22.969 ( -4.864 -8.774 11.531) 15.284 23.774 ( 22.030 0.063 -7.161) 23.165 24.236 ( -8.576 6.736 -6.001) 12.447 24.339 ( 4.909 4.484 3.801) 7.658 24.639 ( -17.900 -7.724 -1.464) 19.550 ======================= Grid point 142 (46/102) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 14.838 -14.838 -12.858) 24.610 2.940 ( 9.520 -9.520 -10.358) 16.987 3.198 ( 13.372 -13.372 -1.854) 19.001 3.290 ( -1.853 1.853 -6.275) 6.800 3.559 ( 15.362 -15.362 -27.057) 34.699 3.991 ( 1.856 -1.856 -2.214) 3.434 4.007 ( -1.379 1.379 -2.380) 3.077 4.094 ( 0.318 -0.318 4.463) 4.486 4.234 ( 3.737 -3.737 8.133) 9.699 4.377 ( -9.668 9.668 -9.025) 16.383 4.847 ( -4.125 4.125 -4.024) 7.087 5.016 ( -9.010 9.010 7.920) 15.003 6.384 ( 5.096 -5.096 7.020) 10.061 6.436 ( 5.000 -5.000 -0.194) 7.074 6.484 ( 5.527 -5.527 -2.690) 8.266 6.734 ( -5.622 5.622 -3.788) 8.808 7.097 ( -8.519 8.519 -7.303) 14.088 7.152 ( -9.921 9.921 -6.254) 15.362 7.716 ( 9.629 -9.629 -0.437) 13.625 8.351 ( -11.926 11.926 2.728) 17.084 10.122 ( 6.553 -6.553 -2.508) 9.601 10.516 ( -6.147 6.147 3.504) 9.373 11.438 ( 3.107 -3.107 12.007) 12.786 11.602 ( -2.972 2.972 5.779) 7.146 11.652 ( 7.129 -7.129 1.883) 10.256 12.061 ( -6.035 6.035 18.564) 20.432 13.188 ( 4.728 -4.728 -17.156) 18.413 13.553 ( -7.718 7.718 -18.403) 21.396 21.583 ( -0.561 0.561 -0.098) 0.799 21.664 ( -3.739 3.739 0.268) 5.294 22.962 ( 6.764 -6.764 6.304) 11.457 23.017 ( 4.087 -4.087 17.698) 18.617 23.610 ( 8.702 -8.702 -2.956) 12.657 24.227 ( -10.319 10.319 -11.168) 18.375 24.410 ( 1.975 -1.975 1.405) 3.127 24.614 ( -6.918 6.918 -1.223) 9.860 ======================= Grid point 144 (47/102) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 5.067 -51.209 -0.000) 51.459 1.702 ( 22.643 -10.565 -0.000) 24.986 2.899 ( 35.414 -0.116 -0.000) 35.414 2.913 ( 13.334 -7.610 -0.000) 15.353 3.306 ( -1.007 7.821 0.000) 7.886 3.758 ( 16.218 -11.088 -0.000) 19.646 3.807 ( 17.332 -9.982 -0.000) 20.001 4.259 ( -21.308 -0.011 0.000) 21.308 4.416 ( -5.990 15.243 0.000) 16.377 4.586 ( 0.358 4.656 0.000) 4.670 4.901 ( -3.614 3.386 0.000) 4.953 5.588 ( -21.236 5.558 0.000) 21.952 6.292 ( 6.415 -3.502 -0.000) 7.308 6.362 ( 3.938 2.175 0.000) 4.499 6.406 ( 2.800 -0.827 -0.000) 2.919 6.699 ( -1.405 0.463 0.000) 1.479 7.023 ( -2.681 -3.390 -0.000) 4.322 7.186 ( -10.499 4.162 0.000) 11.294 7.541 ( 1.178 0.035 -0.000) 1.178 8.676 ( -13.837 7.417 0.000) 15.699 9.848 ( 1.362 -8.114 -0.000) 8.227 10.808 ( -19.824 4.322 0.000) 20.290 11.450 ( 11.237 0.252 -0.000) 11.240 11.614 ( 12.687 -7.540 -0.000) 14.759 11.839 ( 2.733 7.288 0.000) 7.784 12.646 ( 3.330 -5.211 -0.000) 6.184 12.933 ( -9.026 6.988 0.000) 11.415 13.064 ( -2.923 2.531 0.000) 3.867 21.628 ( -0.205 2.888 0.000) 2.895 21.825 ( -4.176 7.534 0.000) 8.614 22.606 ( 2.106 -17.342 -0.000) 17.470 23.336 ( -10.509 -10.151 -0.000) 14.611 23.554 ( 14.979 2.045 -0.000) 15.118 24.227 ( -1.637 11.465 0.000) 11.582 24.363 ( 0.756 -1.814 -0.000) 1.966 24.732 ( -4.729 4.739 0.000) 6.695 ======================= Grid point 145 (48/102) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 7.389 -41.011 8.563) 42.542 1.825 ( 21.272 -6.457 26.751) 34.782 2.829 ( 12.199 -4.455 -0.026) 12.987 2.998 ( 39.768 -0.667 12.948) 41.828 3.490 ( -6.294 5.379 11.172) 13.906 3.640 ( 18.005 -3.996 -0.712) 18.457 3.693 ( 17.805 -6.857 0.582) 19.089 4.263 ( -19.854 0.601 0.178) 19.864 4.339 ( -1.496 1.561 -18.102) 18.230 4.829 ( -2.865 12.356 8.955) 15.526 4.951 ( -2.750 2.117 1.896) 3.954 5.370 ( -13.844 -5.757 -22.579) 27.104 6.277 ( 5.688 -1.768 2.510) 6.464 6.352 ( 3.499 -0.382 -5.913) 6.882 6.397 ( 2.865 1.877 -0.207) 3.431 6.846 ( -1.122 5.501 9.457) 10.998 7.052 ( -3.337 -8.331 12.923) 15.733 7.281 ( -15.850 3.543 6.719) 17.576 7.577 ( -2.190 1.843 2.201) 3.610 8.739 ( -13.669 3.868 -1.884) 14.330 9.776 ( 0.596 -4.783 2.406) 5.387 10.791 ( -13.177 1.832 -6.751) 14.919 11.387 ( 12.039 -5.185 -9.702) 16.309 11.502 ( 4.376 1.545 -1.817) 4.984 11.912 ( 3.255 4.203 -2.480) 5.866 12.553 ( -6.373 0.080 -20.227) 21.207 12.827 ( 3.574 0.142 12.627) 13.124 13.468 ( -6.716 3.232 26.201) 27.240 21.674 ( -0.547 2.712 0.869) 2.900 21.936 ( -4.581 8.466 0.183) 9.628 22.385 ( 1.135 -13.367 -1.021) 13.454 23.096 ( -0.764 -7.274 -14.545) 16.281 23.489 ( 11.272 0.858 -8.522) 14.156 24.286 ( -2.640 -0.626 -1.693) 3.197 24.423 ( -2.692 2.190 3.451) 4.894 24.910 ( -4.330 6.220 13.450) 15.438 ======================= Grid point 146 (49/102) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 6.732 -0.000 20.453) 21.532 2.238 ( 20.040 -0.000 29.001) 35.251 2.781 ( 8.959 -0.000 -2.413) 9.278 3.289 ( 34.010 -0.000 26.020) 42.822 3.584 ( 12.137 -0.000 -0.810) 12.164 3.619 ( 15.476 -0.000 -0.784) 15.496 3.819 ( -2.380 0.000 17.207) 17.371 4.054 ( 0.069 0.000 -16.920) 16.920 4.298 ( -12.578 0.000 5.445) 13.705 4.906 ( -11.772 0.000 -20.789) 23.890 4.993 ( -1.672 0.000 3.320) 3.717 5.132 ( -1.758 0.000 8.593) 8.771 6.213 ( 4.733 -0.000 -10.936) 11.916 6.320 ( 5.398 -0.000 3.741) 6.567 6.405 ( 1.819 -0.000 -0.260) 1.837 7.011 ( 9.033 -0.000 6.829) 11.324 7.140 ( -14.266 0.000 5.885) 15.432 7.444 ( -20.609 0.000 7.164) 21.819 7.638 ( -3.130 0.000 3.886) 4.989 8.723 ( -12.417 0.000 -3.467) 12.892 9.797 ( 0.358 -0.000 4.526) 4.541 10.683 ( 2.068 -0.000 -7.954) 8.218 11.162 ( 0.883 -0.000 -12.681) 12.712 11.510 ( 1.898 -0.000 0.350) 1.930 11.873 ( 2.884 -0.000 -5.432) 6.150 12.200 ( -5.479 0.000 -22.754) 23.405 13.128 ( -1.379 0.000 20.973) 21.018 13.867 ( -6.486 0.000 21.958) 22.896 21.717 ( -0.850 0.000 1.735) 1.932 22.029 ( -5.115 0.000 1.739) 5.403 22.254 ( 1.805 -0.000 -1.552) 2.381 22.769 ( 9.917 -0.000 -18.999) 21.431 23.362 ( 5.064 -0.000 -8.087) 9.542 24.258 ( -3.592 0.000 -1.027) 3.736 24.458 ( -2.941 0.000 0.304) 2.957 25.190 ( -5.764 0.000 14.256) 15.377 ======================= Grid point 152 (50/102) ======================= q-point: (-0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -0.147 -0.147 -11.557) 11.559 2.776 ( 0.147 0.147 -11.557) 11.559 3.464 ( -5.150 -5.150 -4.391) 8.504 3.464 ( 5.150 5.150 -4.391) 8.504 3.832 ( -8.980 -8.980 0.419) 12.707 3.832 ( 8.980 8.980 0.419) 12.707 3.972 ( -1.755 -1.755 -18.303) 18.471 3.972 ( 1.755 1.755 -18.303) 18.471 4.352 ( -0.368 -0.368 8.478) 8.494 4.352 ( 0.368 0.368 8.478) 8.494 4.807 ( -0.010 -0.010 -1.985) 1.985 4.807 ( 0.010 0.010 -1.985) 1.985 6.505 ( -0.036 -0.036 3.903) 3.903 6.505 ( 0.036 0.036 3.903) 3.903 6.616 ( -1.761 -1.761 -1.449) 2.881 6.616 ( 1.761 1.761 -1.449) 2.881 6.962 ( -1.919 -1.919 -8.633) 9.050 6.962 ( 1.919 1.919 -8.633) 9.050 8.020 ( -2.247 -2.247 1.248) 3.415 8.020 ( 2.247 2.247 1.248) 3.415 10.318 ( -4.138 -4.138 -0.601) 5.883 10.318 ( 4.138 4.138 -0.601) 5.883 11.519 ( -7.101 -7.101 7.249) 12.385 11.519 ( 7.101 7.101 7.249) 12.385 11.870 ( -0.694 -0.694 12.728) 12.766 11.870 ( 0.694 0.694 12.728) 12.766 13.350 ( -0.622 -0.622 -17.164) 17.186 13.350 ( 0.622 0.622 -17.164) 17.186 21.593 ( -0.012 -0.012 0.240) 0.241 21.593 ( 0.012 0.012 0.240) 0.241 23.064 ( -9.902 -9.902 13.363) 19.356 23.064 ( 9.902 9.902 13.363) 19.356 23.904 ( -12.216 -12.216 -10.699) 20.321 23.904 ( 12.216 12.216 -10.699) 20.321 24.482 ( -6.846 -6.846 1.961) 9.878 24.482 ( 6.846 6.846 1.961) 9.878 ======================= Grid point 155 (51/102) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 19.443 -10.782 -0.000) 22.233 2.412 ( 4.632 -42.562 -0.000) 42.814 2.925 ( -8.284 7.507 0.000) 11.180 3.219 ( 13.270 -8.219 -0.000) 15.609 3.560 ( 30.544 -0.330 -0.000) 30.546 3.778 ( -27.401 0.117 0.000) 27.401 4.109 ( -6.669 15.245 0.000) 16.640 4.132 ( 7.907 -5.067 -0.000) 9.391 4.267 ( 15.182 -15.811 -0.000) 21.920 4.501 ( 2.885 8.058 0.000) 8.559 4.772 ( -5.506 6.536 0.000) 8.547 5.185 ( -21.524 10.548 0.000) 23.969 6.427 ( 5.435 -2.559 -0.000) 6.007 6.470 ( 2.282 -2.954 -0.000) 3.733 6.472 ( 10.098 -4.955 -0.000) 11.248 6.672 ( -0.430 0.594 0.000) 0.733 6.851 ( -12.369 5.778 0.000) 13.652 7.016 ( -5.765 9.530 0.000) 11.138 7.698 ( 8.947 -11.063 -0.000) 14.228 8.360 ( -15.100 9.740 0.000) 17.969 10.006 ( 2.337 -11.422 -0.000) 11.659 10.494 ( -17.596 4.182 0.000) 18.087 11.573 ( 10.459 2.366 -0.000) 10.724 11.767 ( 2.675 8.693 0.000) 9.095 11.939 ( 13.475 -12.561 -0.000) 18.422 12.612 ( -12.307 6.492 0.000) 13.914 12.814 ( 3.203 -0.949 -0.000) 3.340 12.984 ( -3.271 2.878 0.000) 4.357 21.601 ( 0.937 1.562 0.000) 1.821 21.692 ( -2.487 5.225 0.000) 5.786 22.882 ( -0.289 -20.631 -0.000) 20.633 23.291 ( -16.595 -9.522 -0.000) 19.132 23.717 ( 16.028 4.854 -0.000) 16.747 24.040 ( 2.843 16.599 0.000) 16.841 24.413 ( 1.619 -3.270 -0.000) 3.648 24.606 ( -5.081 3.823 0.000) 6.359 ======================= Grid point 156 (52/102) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 7.630 -44.033 2.794) 44.777 2.211 ( 17.419 -11.593 22.764) 30.919 3.075 ( 8.084 -3.045 -0.346) 8.645 3.224 ( 0.974 5.212 15.896) 16.757 3.577 ( 26.515 -0.786 2.944) 26.690 3.799 ( -17.522 0.063 2.844) 17.751 4.019 ( 12.234 -7.249 -1.224) 14.273 4.066 ( 3.995 -8.251 -2.350) 9.464 4.250 ( -1.045 7.757 -8.296) 11.406 4.607 ( -4.143 11.002 -1.544) 11.857 4.869 ( -3.367 4.105 2.745) 5.977 5.196 ( -16.152 1.577 -7.752) 17.985 6.403 ( 3.890 -2.411 -2.683) 5.305 6.419 ( 5.177 0.163 -0.320) 5.190 6.443 ( 8.267 -2.909 1.585) 8.905 6.735 ( -3.837 3.773 5.676) 7.822 6.992 ( -12.268 3.822 8.447) 15.378 7.142 ( -2.745 1.545 5.487) 6.327 7.585 ( 4.045 -4.880 0.159) 6.341 8.467 ( -15.027 7.037 -0.951) 16.620 9.878 ( 0.831 -8.844 1.859) 9.075 10.541 ( -17.426 2.397 0.549) 17.598 11.559 ( 7.850 1.932 -11.378) 13.957 11.659 ( 12.376 -7.872 -7.788) 16.607 11.886 ( 4.274 6.579 -1.443) 7.977 12.433 ( -8.377 3.045 -22.700) 24.387 12.901 ( 4.994 -2.093 14.828) 15.785 13.316 ( -6.814 5.157 24.221) 25.684 21.633 ( 0.323 2.639 0.512) 2.707 21.775 ( -3.211 7.005 0.074) 7.706 22.599 ( -0.592 -16.620 -2.573) 16.829 23.141 ( -10.461 -10.662 -3.184) 15.272 23.637 ( 14.354 3.950 -14.320) 20.656 24.243 ( -1.230 3.611 1.142) 3.982 24.370 ( -1.553 0.510 -0.162) 1.642 24.772 ( -1.221 7.954 11.985) 14.436 ======================= Grid point 157 (53/102) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 6.599 -32.445 14.636) 36.200 2.513 ( 16.755 -3.395 27.179) 32.109 2.961 ( 10.533 -5.989 -4.397) 12.890 3.536 ( -10.477 3.412 4.138) 11.770 3.707 ( 22.188 2.728 17.868) 28.618 3.825 ( 12.705 -2.028 -0.261) 12.869 3.938 ( 12.544 -3.373 1.815) 13.116 4.031 ( -13.549 -0.204 2.693) 13.815 4.113 ( -4.266 -4.358 -1.556) 6.294 4.671 ( -9.031 10.401 -12.618) 18.680 4.961 ( -1.393 1.860 3.882) 4.524 5.132 ( -3.429 -1.966 3.756) 5.452 6.285 ( 4.054 -1.705 -9.155) 10.157 6.416 ( 4.892 0.684 -0.502) 4.965 6.446 ( 6.547 -1.799 2.178) 7.131 6.902 ( -9.015 5.945 4.750) 11.798 7.154 ( -6.807 -0.290 6.834) 9.650 7.222 ( -2.307 -2.970 8.172) 8.995 7.581 ( -2.636 1.221 2.000) 3.526 8.521 ( -13.231 3.744 -1.459) 13.828 9.832 ( 0.322 -4.412 4.011) 5.971 10.582 ( -13.348 1.232 1.813) 13.527 11.232 ( 5.748 -3.033 -20.392) 21.403 11.595 ( 8.905 -0.026 -1.803) 9.086 11.896 ( 3.273 2.721 -5.427) 6.897 12.117 ( -5.825 0.874 -20.883) 21.697 13.148 ( 3.493 -0.651 18.004) 18.351 13.746 ( -6.900 4.095 22.386) 23.780 21.685 ( -0.457 2.585 1.445) 2.997 21.888 ( -4.297 7.822 1.460) 9.043 22.370 ( 0.597 -11.009 -2.435) 11.291 22.894 ( -1.159 -9.095 -10.740) 14.121 23.450 ( 8.484 1.243 -13.313) 15.835 24.225 ( -2.341 -1.217 -1.235) 2.913 24.406 ( -3.049 1.564 0.747) 3.507 25.097 ( -0.593 6.895 13.793) 15.432 ======================= Grid point 158 (54/102) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 5.245 -0.000 19.784) 20.467 2.783 ( 6.045 -0.000 -11.608) 13.088 2.887 ( 17.591 -0.000 21.825) 28.032 3.553 ( -9.496 0.000 -2.875) 9.921 3.754 ( 8.549 -0.000 -3.209) 9.131 3.872 ( 3.918 -0.000 1.197) 4.097 3.873 ( 2.516 -0.000 -8.848) 9.198 4.117 ( 6.935 -0.000 18.361) 19.627 4.356 ( -11.545 0.000 12.824) 17.255 4.669 ( 4.604 -0.000 16.485) 17.116 5.034 ( -0.265 0.000 3.798) 3.807 5.200 ( -1.559 0.000 3.630) 3.951 6.083 ( 5.341 -0.000 -15.092) 16.010 6.423 ( 1.750 -0.000 -0.560) 1.838 6.443 ( 4.927 -0.000 -0.441) 4.947 6.950 ( -14.601 0.000 -4.668) 15.329 7.244 ( 8.861 -0.000 6.175) 10.800 7.299 ( -9.340 0.000 4.552) 10.390 7.642 ( -4.696 0.000 3.660) 5.954 8.525 ( -9.807 0.000 -1.412) 9.908 9.875 ( 0.063 -0.000 4.959) 4.959 10.630 ( -7.519 0.000 3.149) 8.152 10.930 ( 1.861 -0.000 -15.635) 15.746 11.563 ( 6.460 -0.000 -2.351) 6.875 11.818 ( 2.487 -0.000 -6.406) 6.871 11.836 ( -4.119 0.000 -15.825) 16.352 13.393 ( 1.341 -0.000 13.774) 13.839 14.078 ( -5.376 0.000 16.433) 17.290 21.733 ( -0.834 0.000 1.918) 2.091 22.002 ( -5.688 0.000 4.211) 7.078 22.251 ( 1.766 -0.000 -2.011) 2.676 22.619 ( 4.983 -0.000 -14.392) 15.230 23.288 ( 3.252 -0.000 -8.464) 9.067 24.203 ( -1.760 0.000 -0.715) 1.899 24.425 ( -2.580 0.000 0.512) 2.631 25.325 ( -0.795 0.000 9.216) 9.251 ======================= Grid point 164 (55/102) ======================= q-point: ( 0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 13.771 -8.123 -0.000) 15.989 2.513 ( -8.123 13.771 0.000) 15.989 3.138 ( 0.694 -33.650 -0.000) 33.657 3.138 ( -33.650 0.694 0.000) 33.657 3.668 ( 9.223 -5.344 -0.000) 10.659 3.668 ( -5.344 9.223 0.000) 10.659 4.068 ( 14.514 3.059 -0.000) 14.833 4.068 ( 3.059 14.514 0.000) 14.833 4.582 ( 5.573 -1.376 -0.000) 5.741 4.582 ( -1.376 5.573 0.000) 5.741 4.730 ( 12.345 -17.916 -0.000) 21.757 4.730 ( -17.916 12.345 0.000) 21.757 6.522 ( -0.590 -0.613 -0.000) 0.850 6.522 ( -0.613 -0.590 -0.000) 0.850 6.627 ( 1.750 -4.105 -0.000) 4.462 6.627 ( -4.105 1.750 0.000) 4.462 6.781 ( 8.666 -1.712 -0.000) 8.833 6.781 ( -1.712 8.666 0.000) 8.833 8.015 ( 8.141 -12.275 -0.000) 14.729 8.015 ( -12.275 8.141 0.000) 14.729 10.222 ( 0.098 -11.380 -0.000) 11.380 10.222 ( -11.380 0.098 0.000) 11.380 11.677 ( 6.986 5.354 -0.000) 8.802 11.677 ( 5.354 6.986 0.000) 8.802 12.295 ( 7.472 -9.532 -0.000) 12.112 12.295 ( -9.532 7.472 0.000) 12.112 12.898 ( 2.061 -2.010 -0.000) 2.879 12.898 ( -2.010 2.061 0.000) 2.879 21.617 ( 2.821 -0.382 -0.000) 2.847 21.617 ( -0.382 2.821 0.000) 2.847 23.134 ( -11.365 -14.916 -0.000) 18.752 23.134 ( -14.916 -11.365 0.000) 18.752 23.868 ( 12.484 10.946 -0.000) 16.603 23.868 ( 10.946 12.484 0.000) 16.603 24.496 ( -0.267 -1.572 -0.000) 1.595 24.496 ( -1.572 -0.267 0.000) 1.595 ======================= Grid point 166 (56/102) ======================= q-point: (-0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 12.183 -26.077 2.416) 28.883 2.610 ( 6.028 -18.733 15.480) 25.038 2.901 ( -10.234 4.336 9.847) 14.849 3.255 ( -26.562 3.709 11.736) 29.275 3.541 ( 7.384 -10.056 -1.198) 12.533 3.834 ( 1.468 11.593 -0.031) 11.686 4.070 ( 10.597 1.490 -1.510) 10.808 4.236 ( 3.576 0.587 0.073) 3.624 4.411 ( 10.457 -7.217 -5.058) 13.675 4.460 ( -0.238 1.201 -11.786) 11.850 4.769 ( -0.170 4.019 6.527) 7.668 4.913 ( -13.040 8.673 2.643) 15.883 6.480 ( 2.135 -3.040 -1.885) 4.166 6.486 ( 2.757 -1.844 -1.469) 3.627 6.596 ( 2.440 -1.487 2.973) 4.124 6.663 ( -0.905 1.277 -1.183) 1.961 6.834 ( 0.929 1.932 9.310) 9.554 6.996 ( -4.293 10.224 6.393) 12.800 7.806 ( 7.175 -12.950 -1.913) 14.928 8.156 ( -13.797 8.546 0.988) 16.260 10.033 ( 0.531 -11.840 0.356) 11.857 10.287 ( -15.005 1.259 3.499) 15.459 11.624 ( 7.101 4.087 -12.059) 14.579 11.830 ( 6.002 6.260 0.868) 8.715 11.959 ( 8.539 -8.793 -14.415) 18.922 12.246 ( -8.642 6.540 -18.960) 21.839 13.013 ( 5.295 -4.071 16.994) 18.259 13.155 ( -5.728 5.618 20.938) 22.423 21.622 ( 2.019 1.001 0.194) 2.262 21.666 ( -1.174 4.419 0.030) 4.573 22.784 ( -5.356 -14.474 -7.399) 17.115 23.115 ( -15.268 -12.460 6.312) 20.693 23.748 ( 12.629 7.690 -18.128) 23.393 24.173 ( 4.093 7.929 5.303) 10.380 24.363 ( -2.664 -2.961 -4.813) 6.247 24.679 ( 2.467 6.361 12.607) 14.334 ======================= Grid point 167 (57/102) ======================= q-point: (-0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 6.440 -40.981 8.779) 42.403 2.781 ( 11.658 -6.711 23.027) 26.668 3.063 ( -10.751 4.228 -1.140) 11.609 3.381 ( -10.170 -8.906 -0.637) 13.534 3.607 ( -6.163 8.148 15.926) 18.922 3.973 ( 6.120 4.519 4.799) 8.995 4.027 ( 0.551 -2.619 -7.000) 7.495 4.128 ( 5.008 -6.305 7.863) 11.254 4.200 ( 2.417 -4.363 -13.250) 14.158 4.485 ( 5.912 7.663 1.969) 9.877 4.913 ( 0.337 3.338 5.814) 6.712 5.059 ( -4.278 4.695 4.589) 7.836 6.369 ( 2.953 -3.489 -7.170) 8.503 6.449 ( 2.431 0.525 -2.649) 3.633 6.583 ( 4.296 -3.717 0.722) 5.726 6.725 ( -5.939 4.537 1.738) 7.673 7.020 ( -1.294 2.868 9.608) 10.110 7.238 ( -0.792 6.325 9.964) 11.829 7.622 ( 2.343 -8.705 -2.238) 9.288 8.278 ( -11.503 6.360 1.684) 13.252 9.922 ( 0.112 -8.020 2.848) 8.511 10.362 ( -15.481 0.343 4.883) 16.237 11.351 ( 5.188 -2.078 -22.018) 22.716 11.728 ( 8.847 -1.416 -5.675) 10.606 11.893 ( 3.839 4.509 -5.577) 8.135 12.017 ( -5.284 2.697 -16.937) 17.946 13.233 ( 5.285 -2.688 16.887) 17.898 13.583 ( -5.763 6.519 22.348) 23.982 21.653 ( 0.955 2.173 0.933) 2.550 21.744 ( -2.314 6.157 0.907) 6.640 22.516 ( -2.282 -10.902 -5.210) 12.297 22.975 ( -10.428 -14.405 -0.791) 17.800 23.538 ( 8.823 3.774 -18.027) 20.422 24.229 ( 0.186 -1.475 -0.910) 1.743 24.337 ( -2.377 2.923 0.441) 3.794 25.005 ( 4.193 9.517 13.399) 16.961 ======================= Grid point 168 (58/102) ======================= q-point: (-0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 5.187 -26.849 16.017) 31.691 2.879 ( 6.579 -2.273 -12.408) 14.227 3.119 ( 4.878 -3.298 19.111) 19.998 3.333 ( -17.991 -1.352 1.650) 18.117 3.714 ( -15.831 2.982 -9.229) 18.566 3.864 ( 3.572 -1.975 -6.539) 7.708 3.939 ( 2.088 -3.732 -10.161) 11.024 4.149 ( -0.704 1.140 13.048) 13.116 4.381 ( 8.488 -1.273 16.559) 18.651 4.727 ( 9.467 6.092 23.439) 26.002 5.032 ( 1.659 1.285 5.234) 5.639 5.174 ( -1.052 1.340 4.582) 4.889 6.162 ( 3.843 -2.197 -14.438) 15.101 6.413 ( 0.368 2.931 -5.283) 6.053 6.524 ( 0.887 -4.459 -2.144) 5.027 6.769 ( -8.652 2.122 -2.195) 9.175 7.198 ( 2.133 4.349 7.405) 8.848 7.408 ( 5.575 -5.544 6.623) 10.280 7.552 ( -5.213 2.580 2.456) 6.314 8.379 ( -7.579 3.457 2.741) 8.770 9.901 ( -0.023 -3.637 4.384) 5.696 10.440 ( -16.325 -0.136 4.786) 17.012 11.020 ( 6.160 -1.751 -15.935) 17.174 11.648 ( 6.384 1.414 -5.506) 8.548 11.774 ( -1.459 1.915 -13.141) 13.359 11.859 ( 1.696 -0.843 -6.797) 7.056 13.439 ( 4.196 -0.971 12.820) 13.524 13.976 ( -4.438 4.567 18.105) 19.193 21.705 ( -0.189 2.339 1.614) 2.848 21.865 ( -4.354 6.826 3.215) 8.712 22.327 ( 0.202 -6.444 -3.817) 7.492 22.717 ( -3.846 -11.921 -8.229) 14.987 23.336 ( 3.900 0.698 -11.850) 12.495 24.202 ( 0.845 -0.729 -0.221) 1.137 24.380 ( -2.484 1.524 0.893) 3.048 25.296 ( 3.448 6.373 9.578) 12.010 ======================= Grid point 169 (59/102) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 3.348 -0.000 14.235) 14.624 2.614 ( 2.541 -0.000 -15.682) 15.886 3.289 ( -5.300 0.000 -5.358) 7.537 3.379 ( -2.342 0.000 12.807) 13.020 3.586 ( -24.306 0.000 -5.726) 24.971 3.779 ( -1.172 0.000 -7.370) 7.462 3.787 ( 4.453 -0.000 -2.758) 5.238 4.366 ( 5.735 -0.000 9.795) 11.350 4.557 ( 3.806 -0.000 15.098) 15.571 5.098 ( 1.873 -0.000 2.700) 3.286 5.219 ( -0.766 0.000 1.430) 1.622 5.240 ( 8.487 -0.000 24.631) 26.052 5.913 ( 3.973 -0.000 -11.912) 12.557 6.302 ( -5.836 0.000 -15.364) 16.435 6.434 ( 1.641 -0.000 -0.964) 1.903 6.757 ( -4.739 0.000 0.129) 4.741 7.347 ( -1.120 0.000 -2.462) 2.705 7.364 ( 4.935 -0.000 6.349) 8.041 7.670 ( -0.055 -0.000 6.177) 6.177 8.453 ( -2.631 0.000 3.772) 4.599 9.941 ( -0.142 -0.000 3.480) 3.483 10.490 ( -16.776 0.000 1.625) 16.855 10.847 ( 7.770 -0.000 -5.002) 9.241 11.587 ( 1.068 -0.000 -4.939) 5.053 11.626 ( 2.759 -0.000 -6.314) 6.890 11.751 ( 1.411 -0.000 -5.476) 5.655 13.587 ( 3.905 -0.000 6.970) 7.989 14.234 ( -2.255 0.000 10.932) 11.162 21.751 ( -0.599 0.000 1.660) 1.765 21.996 ( -7.067 0.000 6.001) 9.271 22.240 ( 1.303 -0.000 -2.139) 2.505 22.460 ( 0.876 -0.000 -11.238) 11.272 23.203 ( 0.631 -0.000 -5.718) 5.753 24.200 ( 1.627 -0.000 0.359) 1.666 24.405 ( -2.164 0.000 1.106) 2.430 25.453 ( 3.794 -0.000 4.939) 6.228 ======================= Grid point 176 (60/102) ======================= q-point: ( 0.60 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -13.938 -13.938 4.802) 20.288 2.619 ( -14.323 -14.323 5.853) 21.085 3.012 ( -3.899 -3.899 23.371) 24.013 3.250 ( -1.416 -1.416 1.560) 2.538 3.743 ( 4.571 4.571 12.683) 14.235 3.780 ( -0.770 -0.770 -2.360) 2.598 4.092 ( -3.915 -3.915 -10.782) 12.120 4.201 ( 1.657 1.657 2.528) 3.448 4.234 ( -2.363 -2.363 -7.995) 8.665 4.544 ( 8.514 8.514 4.477) 12.846 4.911 ( 1.791 1.791 8.200) 8.582 4.948 ( 3.613 3.613 6.784) 8.493 6.442 ( -1.040 -1.040 -5.723) 5.909 6.448 ( -0.296 -0.296 -4.794) 4.812 6.635 ( -2.325 -2.325 -0.014) 3.287 6.638 ( 0.737 0.737 0.850) 1.345 7.061 ( 5.741 5.741 9.507) 12.502 7.112 ( 3.811 3.811 11.218) 12.446 7.749 ( -6.190 -6.190 -5.810) 10.507 8.115 ( 0.119 0.119 5.813) 5.816 10.008 ( -4.898 -4.898 0.776) 6.971 10.221 ( -7.399 -7.399 7.098) 12.644 11.404 ( 1.663 1.663 -21.861) 21.987 11.840 ( 1.594 1.594 -8.817) 9.101 11.880 ( 4.070 4.070 -11.445) 12.810 11.930 ( 1.093 1.093 -8.312) 8.454 13.323 ( -0.141 -0.141 15.290) 15.291 13.463 ( 2.260 2.260 23.676) 23.891 21.662 ( 1.765 1.765 0.103) 2.499 21.667 ( 1.673 1.673 1.289) 2.694 22.578 ( -6.708 -6.708 -7.261) 11.946 23.002 ( -15.284 -15.284 4.092) 21.998 23.575 ( 6.498 6.498 -19.802) 21.830 24.268 ( 2.540 2.540 1.580) 3.924 24.272 ( -1.559 -1.559 -2.096) 3.042 24.967 ( 8.099 8.099 13.216) 17.488 ======================= Grid point 178 (61/102) ======================= q-point: (-0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 4.940 -37.261 11.483) 39.302 2.768 ( -33.641 4.716 7.593) 34.809 3.038 ( 1.963 -6.292 -13.024) 14.597 3.361 ( 0.421 -0.111 18.227) 18.232 3.515 ( -11.280 -6.707 -17.004) 21.479 3.924 ( 4.957 2.253 -3.716) 6.592 4.001 ( -1.388 -4.078 -11.395) 12.182 4.089 ( -2.760 2.014 9.542) 10.135 4.502 ( 5.698 -0.296 25.928) 26.548 4.748 ( 8.870 9.019 9.901) 16.063 5.059 ( 4.653 1.025 7.579) 8.952 5.129 ( -0.489 3.615 10.254) 10.884 6.241 ( 1.154 -3.908 -14.640) 15.196 6.357 ( -2.470 2.134 -9.803) 10.332 6.586 ( 0.152 -4.039 -0.686) 4.100 6.659 ( -3.667 2.251 -0.834) 4.383 7.237 ( 8.739 2.157 7.435) 11.675 7.398 ( -0.103 9.129 10.389) 13.831 7.566 ( -2.657 -8.587 -2.391) 9.302 8.252 ( -2.119 3.917 7.053) 8.341 9.963 ( -0.956 -5.364 3.064) 6.251 10.253 ( -13.015 -3.659 5.786) 14.706 11.102 ( 2.590 -0.857 -15.933) 16.165 11.678 ( 2.278 2.265 -12.228) 12.643 11.755 ( 2.592 2.443 -8.005) 8.761 11.886 ( 1.650 0.446 -5.152) 5.428 13.514 ( 3.067 -1.409 11.906) 12.375 13.862 ( -0.386 5.712 19.553) 20.374 21.686 ( 1.671 1.553 0.819) 2.424 21.744 ( -1.372 4.472 2.666) 5.384 22.395 ( -2.646 -5.389 -5.830) 8.368 22.803 ( -11.584 -15.264 -2.497) 19.324 23.367 ( 3.279 2.061 -13.971) 14.497 24.238 ( 1.957 -1.088 0.136) 2.243 24.323 ( -1.158 2.635 0.784) 2.983 25.262 ( 7.161 8.726 9.669) 14.863 ======================= Grid point 179 (62/102) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 3.272 -24.381 11.579) 27.189 2.681 ( 2.461 -4.216 -16.838) 17.531 2.980 ( -36.656 2.093 9.517) 37.929 3.167 ( -16.218 -3.108 -18.159) 24.545 3.584 ( 9.617 1.617 7.896) 12.548 3.772 ( -4.088 -3.827 -10.638) 12.022 3.860 ( 4.852 -1.239 -4.003) 6.411 4.324 ( -7.707 -1.023 20.015) 21.472 4.720 ( 14.849 -0.118 6.368) 16.157 5.080 ( 1.131 9.101 6.658) 11.333 5.153 ( 2.008 3.395 1.775) 4.325 5.369 ( 2.132 -4.425 15.316) 16.084 5.969 ( 2.797 -1.164 -9.405) 9.881 6.199 ( -3.352 3.528 -14.490) 15.286 6.504 ( 1.744 -4.964 -1.413) 5.448 6.692 ( -3.814 1.496 2.530) 4.815 7.287 ( -2.865 0.509 -4.573) 5.420 7.493 ( 6.180 -3.058 6.034) 9.163 7.655 ( 2.334 4.650 8.320) 9.813 8.416 ( 0.259 2.747 7.944) 8.409 9.958 ( -0.256 -2.725 3.165) 4.184 10.282 ( -14.664 -1.900 2.849) 15.059 10.928 ( 3.471 -0.549 -5.442) 6.477 11.569 ( 0.656 2.295 -6.418) 6.847 11.676 ( 4.057 1.550 -5.443) 6.963 11.786 ( 1.190 -1.904 -5.698) 6.124 13.652 ( 4.646 -0.235 7.297) 8.653 14.183 ( -0.294 4.142 12.837) 13.492 21.728 ( 0.223 2.120 1.254) 2.473 21.865 ( -4.742 4.449 4.816) 8.091 22.261 ( -0.063 -1.647 -4.880) 5.151 22.540 ( -5.601 -12.646 -6.075) 15.106 23.214 ( 0.442 -0.234 -7.463) 7.479 24.237 ( 2.939 -0.559 0.927) 3.132 24.366 ( -1.900 1.472 1.264) 2.716 25.482 ( 6.657 5.797 5.725) 10.521 ======================= Grid point 180 (63/102) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.110 0.000 -6.559) 6.560 2.491 ( 2.643 -0.000 -1.271) 2.933 2.846 ( -25.983 0.000 -18.964) 32.168 3.163 ( -28.358 0.000 9.628) 29.948 3.588 ( -8.286 0.000 -8.823) 12.104 3.667 ( 9.388 -0.000 2.894) 9.824 3.797 ( 2.963 -0.000 -2.595) 3.939 4.611 ( 2.377 -0.000 12.053) 12.285 4.756 ( 2.950 -0.000 -0.766) 3.048 5.146 ( 2.391 -0.000 -0.752) 2.506 5.182 ( -3.653 0.000 -23.525) 23.807 5.239 ( 0.366 -0.000 1.921) 1.955 5.857 ( 1.661 -0.000 -13.404) 13.507 6.249 ( 4.316 -0.000 14.004) 14.654 6.438 ( 1.602 -0.000 -1.492) 2.189 6.825 ( 1.059 -0.000 16.208) 16.243 7.192 ( -8.263 0.000 -6.567) 10.554 7.563 ( 10.560 -0.000 4.056) 11.313 7.778 ( 2.742 -0.000 3.378) 4.351 8.560 ( 3.727 -0.000 8.220) 9.025 9.969 ( -0.144 0.000 0.214) 0.258 10.297 ( -14.277 0.000 1.175) 14.326 10.903 ( 2.559 -0.000 1.776) 3.114 11.525 ( 1.992 -0.000 -1.704) 2.622 11.651 ( 3.235 -0.000 0.865) 3.349 11.698 ( 0.078 0.000 -2.522) 2.523 13.720 ( 6.845 -0.000 1.293) 6.966 14.347 ( 1.039 -0.000 4.541) 4.659 21.767 ( -0.204 0.000 0.968) 0.989 21.985 ( -8.931 0.000 6.415) 10.996 22.222 ( 0.584 -0.000 -1.777) 1.870 22.314 ( -0.780 0.000 -7.522) 7.563 23.139 ( -1.339 0.000 -1.782) 2.229 24.249 ( 3.380 -0.000 1.275) 3.613 24.401 ( -1.900 0.000 1.850) 2.652 25.581 ( 7.654 -0.000 1.609) 7.821 ======================= Grid point 188 (64/102) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -15.566 -15.566 8.964) 23.768 2.462 ( -17.835 -17.835 10.220) 27.214 2.754 ( -1.780 -1.780 -18.462) 18.633 3.058 ( -10.357 -10.357 -17.492) 22.814 3.642 ( 5.505 5.505 7.983) 11.151 3.770 ( -5.133 -5.133 -11.976) 14.004 3.917 ( 1.851 1.851 -5.101) 5.733 4.264 ( -5.393 -5.393 21.615) 22.921 4.899 ( 5.610 5.610 9.579) 12.437 4.939 ( 8.415 8.415 4.070) 12.577 5.154 ( 2.322 2.322 0.938) 3.416 5.413 ( -1.861 -1.861 12.532) 12.805 6.002 ( 0.786 0.786 -5.867) 5.972 6.147 ( 0.655 0.655 -15.645) 15.673 6.581 ( -0.745 -0.745 -3.131) 3.303 6.625 ( -1.684 -1.684 5.257) 5.772 7.264 ( -3.464 -3.464 -6.402) 8.061 7.587 ( 5.129 5.129 8.633) 11.276 7.611 ( 2.401 2.401 6.918) 7.707 8.397 ( 2.730 2.730 9.796) 10.530 9.987 ( -2.058 -2.058 2.621) 3.917 10.182 ( -8.070 -8.070 3.632) 11.976 10.955 ( 0.361 0.361 -5.927) 5.949 11.557 ( 2.275 2.275 -6.021) 6.826 11.691 ( 2.635 2.635 -6.038) 7.096 11.811 ( -0.415 -0.415 -5.508) 5.539 13.691 ( 1.828 1.828 7.472) 7.907 14.145 ( 3.507 3.507 13.592) 14.468 21.716 ( 1.606 1.606 0.329) 2.294 21.795 ( 0.259 0.259 4.796) 4.810 22.274 ( -1.916 -1.916 -5.703) 6.314 22.594 ( -11.282 -11.282 -3.984) 16.445 23.219 ( 0.028 0.028 -8.029) 8.029 24.274 ( 0.781 0.781 1.508) 1.869 24.331 ( 0.679 0.679 0.871) 1.296 25.486 ( 7.877 7.877 6.015) 12.660 ======================= Grid point 189 (65/102) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -0.010 -23.401 -9.900) 25.409 2.421 ( -32.165 -0.423 -14.088) 35.117 2.576 ( 1.106 -4.936 0.544) 5.087 2.859 ( -16.284 -1.122 4.709) 16.988 3.510 ( -8.703 -5.732 -11.337) 15.399 3.749 ( 6.400 3.784 -0.557) 7.456 3.849 ( 2.395 -0.878 -3.763) 4.546 4.562 ( -7.315 -3.627 22.320) 23.767 4.856 ( 4.348 -1.643 -22.666) 23.138 5.109 ( 3.357 7.560 -4.204) 9.279 5.170 ( 1.947 0.996 -1.584) 2.700 5.248 ( -0.681 -0.646 -5.671) 5.748 5.890 ( 1.574 -0.450 -16.022) 16.105 6.263 ( 5.929 6.444 13.558) 16.140 6.503 ( 1.566 -3.411 -2.527) 4.524 6.817 ( -1.308 0.383 24.465) 24.503 7.104 ( -6.777 -3.219 -6.999) 10.260 7.698 ( 8.762 0.380 4.078) 9.672 7.777 ( 1.741 4.711 3.721) 6.251 8.593 ( 3.776 2.582 10.405) 11.366 9.983 ( -0.341 -2.044 0.346) 2.101 10.143 ( -10.466 -3.205 1.123) 11.003 10.919 ( -0.212 -0.496 0.801) 0.965 11.551 ( 3.015 1.697 0.785) 3.548 11.654 ( 1.666 2.433 -2.370) 3.783 11.728 ( -0.215 -2.249 -1.976) 3.001 13.800 ( 5.764 1.943 3.295) 6.918 14.343 ( 2.423 3.232 5.527) 6.846 21.747 ( 0.559 2.101 0.487) 2.229 21.879 ( -5.350 -0.622 5.617) 7.782 22.185 ( 0.669 2.095 -4.956) 5.422 22.389 ( -5.676 -10.104 -3.498) 12.105 23.129 ( -1.277 -0.942 -2.651) 3.089 24.298 ( 2.616 -0.593 1.663) 3.156 24.367 ( -1.360 1.250 1.757) 2.549 25.649 ( 8.140 5.677 2.792) 10.309 ======================= Grid point 190 (66/102) ======================= q-point: (-0.10 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -1.691 0.000 -21.597) 21.663 2.137 ( -32.409 0.000 -20.047) 38.108 2.604 ( 3.944 -0.000 6.275) 7.411 2.985 ( -18.938 0.000 8.145) 20.616 3.307 ( -12.672 0.000 -8.409) 15.208 3.775 ( 3.270 -0.000 0.217) 3.277 3.804 ( 1.717 -0.000 0.304) 1.744 4.226 ( -7.605 0.000 -47.613) 48.216 4.734 ( -4.845 0.000 -1.692) 5.131 5.104 ( 11.772 -0.000 -0.365) 11.778 5.141 ( 1.542 -0.000 -3.053) 3.420 5.275 ( 0.963 -0.000 0.805) 1.255 5.736 ( -0.996 0.000 0.229) 1.022 6.392 ( 3.198 -0.000 -0.603) 3.255 6.431 ( 1.444 -0.000 -2.096) 2.546 6.974 ( -7.818 0.000 -6.687) 10.287 7.318 ( 9.402 -0.000 32.002) 33.354 7.746 ( 8.357 -0.000 3.219) 8.956 7.827 ( 2.025 -0.000 -1.171) 2.340 8.767 ( 5.365 -0.000 9.507) 10.916 9.942 ( -0.079 0.000 -3.467) 3.468 10.128 ( -12.516 0.000 0.090) 12.516 10.951 ( -1.600 0.000 3.429) 3.784 11.587 ( 4.903 -0.000 2.447) 5.480 11.683 ( -0.788 0.000 1.400) 1.607 11.752 ( 0.655 -0.000 9.775) 9.797 13.829 ( 10.966 -0.000 -2.365) 11.218 14.384 ( 2.518 -0.000 -3.421) 4.248 21.773 ( 0.142 -0.000 -0.140) 0.199 21.942 ( -10.656 0.000 5.088) 11.808 22.205 ( -0.040 0.000 -0.835) 0.836 22.220 ( -0.490 0.000 -3.339) 3.375 23.119 ( -2.072 0.000 2.364) 3.144 24.316 ( 2.823 -0.000 1.494) 3.194 24.409 ( -1.732 0.000 2.494) 3.036 25.709 ( 10.096 -0.000 -0.769) 10.126 ======================= Grid point 199 (67/102) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -10.629 -10.629 -21.674) 26.376 1.765 ( -14.333 -14.333 -20.826) 29.062 2.678 ( 0.901 0.901 5.420) 5.568 2.808 ( -7.006 -7.006 9.338) 13.615 3.217 ( -9.001 -9.001 -10.073) 16.233 3.794 ( 2.793 2.793 0.266) 3.959 3.823 ( 0.146 0.146 -2.099) 2.110 4.171 ( -4.884 -4.884 -50.281) 50.753 4.699 ( -2.705 -2.705 0.476) 3.855 5.152 ( 0.838 0.838 -3.183) 3.396 5.204 ( 6.051 6.051 0.746) 8.590 5.261 ( 2.001 2.001 1.034) 3.013 5.732 ( -1.045 -1.045 -1.812) 2.338 6.399 ( 3.736 3.736 -0.729) 5.333 6.464 ( -0.171 -0.171 -3.374) 3.383 6.915 ( -4.155 -4.155 -6.401) 8.689 7.385 ( 4.711 4.711 37.974) 38.554 7.812 ( 3.094 3.094 -1.213) 4.540 7.831 ( 1.903 1.903 2.052) 3.384 8.803 ( 3.006 3.006 10.186) 11.038 9.953 ( -0.955 -0.955 -3.234) 3.504 10.026 ( -5.921 -5.921 -1.583) 8.522 10.937 ( -1.267 -1.267 2.772) 3.300 11.639 ( 2.090 2.090 3.336) 4.458 11.657 ( 1.031 1.031 1.212) 1.896 11.760 ( -0.935 -0.935 9.210) 9.305 13.914 ( 6.174 6.174 0.707) 8.760 14.397 ( 2.431 2.431 -3.283) 4.754 21.759 ( 1.227 1.227 -0.325) 1.765 21.874 ( -6.495 -6.495 3.720) 9.910 22.151 ( 3.523 3.523 -2.566) 5.604 22.278 ( -5.328 -5.328 -1.437) 7.671 23.106 ( -1.304 -1.304 2.067) 2.770 24.343 ( 0.377 0.377 1.302) 1.407 24.389 ( -0.063 -0.063 2.591) 2.593 25.779 ( 6.653 6.653 0.647) 9.431 ======================= Grid point 200 (68/102) ======================= q-point: (-0.10 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -1.447 0.000 -24.907) 24.949 1.393 ( -27.506 0.000 -22.368) 35.453 2.723 ( 6.607 -0.000 -0.814) 6.657 2.885 ( -9.030 0.000 3.111) 9.551 3.016 ( -13.674 0.000 -5.098) 14.593 3.230 ( -6.433 0.000 -59.977) 60.321 3.884 ( 0.804 -0.000 8.522) 8.560 3.902 ( -1.651 0.000 8.738) 8.893 4.490 ( -0.770 0.000 -22.120) 22.133 5.103 ( 0.664 -0.000 -3.685) 3.744 5.235 ( 5.910 -0.000 -1.560) 6.112 5.272 ( 0.612 -0.000 -3.071) 3.131 5.835 ( -2.170 0.000 13.760) 13.930 6.397 ( 2.541 -0.000 -2.918) 3.870 6.411 ( 0.728 -0.000 -2.557) 2.659 6.796 ( -4.269 0.000 -5.304) 6.808 7.743 ( 9.335 -0.000 -1.673) 9.484 7.803 ( 1.054 -0.000 -4.347) 4.473 8.071 ( 7.625 -0.000 32.059) 32.953 8.969 ( 3.506 -0.000 8.345) 9.051 9.869 ( -0.067 0.000 -5.506) 5.506 9.952 ( -11.476 0.000 -1.829) 11.621 10.966 ( -2.248 0.000 2.083) 3.064 11.695 ( 2.679 -0.000 4.314) 5.078 11.718 ( -0.742 0.000 4.249) 4.313 11.987 ( 0.541 -0.000 19.634) 19.641 13.958 ( 14.050 -0.000 -2.783) 14.323 14.297 ( 1.945 -0.000 -12.239) 12.393 21.765 ( 0.206 -0.000 -1.252) 1.269 21.848 ( -11.168 0.000 2.167) 11.376 22.195 ( 0.269 -0.000 -0.135) 0.301 22.199 ( -0.240 0.000 0.313) 0.394 23.157 ( -1.499 0.000 5.617) 5.813 24.356 ( 0.703 -0.000 0.316) 0.771 24.436 ( -0.774 0.000 3.366) 3.454 25.827 ( 9.684 -0.000 -1.611) 9.817 ======================= Grid point 210 (69/102) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -0.000 0.000 -25.755) 25.755 0.794 ( -0.000 0.000 -25.755) 25.755 2.176 ( -0.000 0.000 -68.427) 68.427 2.713 ( -0.000 0.000 -8.292) 8.292 2.862 ( 0.000 -0.000 0.645) 0.645 2.862 ( 0.000 -0.000 0.645) 0.645 4.086 ( 0.000 -0.000 16.578) 16.578 4.086 ( 0.000 -0.000 16.578) 16.578 4.112 ( -0.000 0.000 -24.243) 24.243 5.053 ( -0.000 0.000 -3.153) 3.153 5.185 ( -0.000 0.000 -9.023) 9.023 5.185 ( -0.000 0.000 -9.023) 9.023 6.038 ( 0.000 -0.000 13.154) 13.154 6.377 ( -0.000 0.000 -2.118) 2.118 6.377 ( -0.000 0.000 -2.118) 2.118 6.701 ( -0.000 0.000 -3.490) 3.490 7.734 ( -0.000 0.000 -5.163) 5.163 7.734 ( -0.000 0.000 -5.163) 5.163 8.668 ( 0.000 -0.000 30.449) 30.449 9.104 ( 0.000 -0.000 5.916) 5.916 9.785 ( -0.000 0.000 -5.057) 5.057 9.785 ( -0.000 0.000 -5.057) 5.057 10.961 ( -0.000 0.000 -0.314) 0.314 11.784 ( 0.000 -0.000 4.713) 4.713 11.784 ( 0.000 -0.000 4.713) 4.713 12.348 ( 0.000 -0.000 26.356) 26.356 14.060 ( -0.000 0.000 -20.457) 20.457 14.082 ( 0.000 -0.000 0.638) 0.638 21.743 ( -0.000 0.000 -1.640) 1.640 21.743 ( -0.000 0.000 -1.640) 1.640 22.207 ( 0.000 -0.000 0.925) 0.925 22.207 ( 0.000 -0.000 0.925) 0.925 23.243 ( 0.000 -0.000 6.566) 6.566 24.354 ( -0.000 0.000 -0.746) 0.746 24.484 ( 0.000 -0.000 3.374) 3.374 25.896 ( -0.000 0.000 -0.550) 0.550 ======================= Grid point 233 (70/102) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 9.866 9.866 6.212) 15.272 3.163 ( -2.333 -2.333 2.447) 4.107 3.277 ( 14.910 14.910 3.460) 21.368 3.402 ( 8.776 8.776 5.936) 13.757 3.734 ( 9.864 9.864 -10.955) 17.737 3.847 ( -1.105 -1.105 -5.036) 5.273 4.019 ( 3.406 3.406 -1.779) 5.135 4.225 ( -15.313 -15.313 2.777) 21.833 4.700 ( 5.271 5.271 20.072) 21.411 4.946 ( -4.235 -4.235 3.742) 7.062 4.984 ( 1.277 1.277 20.384) 20.463 5.004 ( -2.165 -2.165 16.624) 16.903 5.971 ( 5.633 5.633 -15.707) 17.612 6.259 ( -2.076 -2.076 -15.455) 15.731 6.587 ( 3.727 3.727 3.061) 6.095 6.794 ( -4.912 -4.912 -1.346) 7.075 7.167 ( -2.859 -2.859 -0.952) 4.154 7.296 ( -7.357 -7.357 3.807) 11.079 7.762 ( 7.120 7.120 2.024) 10.270 8.255 ( -9.355 -9.355 -3.166) 13.603 10.187 ( 5.089 5.089 1.080) 7.278 10.466 ( -2.519 -2.519 0.354) 3.580 11.027 ( 4.199 4.199 -9.332) 11.061 11.334 ( -5.419 -5.419 -7.275) 10.567 11.692 ( 2.639 2.639 0.423) 3.755 11.793 ( -0.691 -0.691 -1.498) 1.789 13.597 ( 2.628 2.628 8.147) 8.954 13.927 ( -7.893 -7.893 5.361) 12.384 21.590 ( -1.047 -1.047 0.356) 1.523 21.663 ( -3.934 -3.934 0.010) 5.563 22.619 ( 6.450 6.450 -7.494) 11.805 22.800 ( 0.368 0.368 -2.423) 2.478 23.719 ( 16.796 16.796 3.232) 23.973 24.328 ( 0.634 0.634 -3.552) 3.663 24.340 ( -1.680 -1.680 -1.238) 2.679 24.743 ( -16.761 -16.761 5.036) 24.233 ======================= Grid point 234 (71/102) ======================= q-point: (-0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 10.338 0.000 0.000) 10.338 3.104 ( -9.452 0.000 0.000) 9.452 3.413 ( 28.840 0.000 0.000) 28.840 3.585 ( 6.588 0.000 0.000) 6.588 3.736 ( 0.909 0.000 0.000) 0.909 3.867 ( 1.199 0.000 -0.000) 1.199 3.912 ( -0.333 -0.000 0.000) 0.333 4.126 ( -13.478 -0.000 0.000) 13.478 4.804 ( 0.380 0.000 0.000) 0.380 4.930 ( -6.010 0.000 0.000) 6.010 5.157 ( 10.037 0.000 -0.000) 10.037 5.365 ( -2.566 0.000 0.000) 2.566 5.908 ( -0.420 0.000 0.000) 0.420 5.952 ( -2.314 0.000 -0.000) 2.314 6.651 ( 4.170 0.000 0.000) 4.170 6.751 ( -1.741 0.000 0.000) 1.741 7.139 ( 0.387 0.000 0.000) 0.387 7.274 ( -10.161 0.000 0.000) 10.161 7.846 ( 10.684 0.000 0.000) 10.684 8.147 ( -10.879 0.000 -0.000) 10.879 10.231 ( 8.125 0.000 0.000) 8.125 10.453 ( -7.763 -0.000 0.000) 7.763 10.982 ( 9.206 0.000 0.000) 9.206 11.233 ( -8.750 0.000 0.000) 8.750 11.712 ( 4.047 -0.000 0.000) 4.047 11.785 ( -0.887 0.000 0.000) 0.887 13.690 ( 4.851 0.000 0.000) 4.851 13.899 ( -10.239 0.000 0.000) 10.239 21.588 ( -0.917 0.000 0.000) 0.917 21.633 ( -4.405 0.000 0.000) 4.405 22.604 ( 8.792 0.000 0.000) 8.792 22.784 ( -3.812 0.000 0.000) 3.812 23.908 ( 27.912 0.000 0.000) 27.912 24.254 ( 2.337 0.000 0.000) 2.337 24.329 ( -2.959 0.000 0.000) 2.959 24.660 ( -25.829 0.000 0.000) 25.829 ======================= Grid point 240 (72/102) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 10.962 -0.000 0.000) 10.962 1.550 ( 26.292 -0.000 0.000) 26.292 2.797 ( 12.478 -0.000 0.000) 12.478 2.897 ( 40.709 -0.000 0.000) 40.709 3.433 ( -5.105 0.000 -0.000) 5.105 3.624 ( 19.986 -0.000 0.000) 19.986 3.634 ( 18.290 -0.000 0.000) 18.290 4.264 ( -22.701 0.000 -0.000) 22.701 4.626 ( 1.184 -0.000 0.000) 1.184 4.709 ( -2.704 0.000 -0.000) 2.704 4.948 ( -2.558 0.000 -0.000) 2.558 5.596 ( -23.981 0.000 -0.000) 23.981 6.243 ( 5.876 -0.000 0.000) 5.876 6.416 ( 2.913 -0.000 0.000) 2.913 6.434 ( -0.057 0.000 -0.000) 0.057 6.702 ( -1.293 0.000 -0.000) 1.293 6.884 ( 7.040 -0.000 0.000) 7.040 7.252 ( -15.472 0.000 -0.000) 15.472 7.573 ( -1.637 0.000 -0.000) 1.637 8.780 ( -14.157 0.000 -0.000) 14.157 9.722 ( 0.665 -0.000 0.000) 0.665 10.861 ( -22.144 0.000 -0.000) 22.144 11.405 ( 14.015 -0.000 0.000) 14.015 11.572 ( 10.332 -0.000 0.000) 10.332 11.966 ( 3.210 -0.000 0.000) 3.210 12.556 ( 4.942 -0.000 0.000) 4.942 13.030 ( -9.003 0.000 -0.000) 9.003 13.105 ( -3.098 0.000 -0.000) 3.098 21.687 ( -0.812 0.000 -0.000) 0.812 22.011 ( -5.947 0.000 -0.000) 5.947 22.281 ( 2.074 -0.000 0.000) 2.074 23.162 ( -9.158 0.000 -0.000) 9.158 23.584 ( 16.897 -0.000 0.000) 16.897 24.337 ( 0.031 -0.000 0.000) 0.031 24.373 ( -2.134 0.000 -0.000) 2.134 24.823 ( -5.182 0.000 -0.000) 5.182 ======================= Grid point 246 (73/102) ======================= q-point: (-0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -5.225 -5.225 -1.527) 7.545 2.947 ( 5.225 5.225 -1.527) 7.545 3.604 ( -4.034 -4.034 -3.965) 6.947 3.604 ( 4.034 4.034 -3.965) 6.947 3.832 ( -10.807 -10.807 -0.261) 15.285 3.832 ( 10.807 10.807 -0.261) 15.285 3.989 ( -2.078 -2.078 7.015) 7.606 3.989 ( 2.078 2.078 7.015) 7.606 4.825 ( -3.951 -3.951 -5.839) 8.081 4.825 ( 3.951 3.951 -5.838) 8.081 4.989 ( -10.049 -10.049 -26.841) 30.371 4.989 ( 10.049 10.049 -26.841) 30.371 6.139 ( -0.489 -0.489 19.359) 19.371 6.139 ( 0.489 0.489 19.359) 19.371 6.694 ( -1.734 -1.734 -2.123) 3.243 6.694 ( 1.734 1.734 -2.123) 3.243 7.147 ( -2.699 -2.699 -3.149) 4.948 7.147 ( 2.699 2.699 -3.149) 4.948 7.996 ( -5.937 -5.937 0.175) 8.399 7.996 ( 5.937 5.937 0.175) 8.399 10.339 ( -5.771 -5.771 -0.547) 8.180 10.339 ( 5.771 5.771 -0.547) 8.180 11.176 ( -6.846 -6.846 8.447) 12.848 11.176 ( 6.846 6.846 8.447) 12.848 11.757 ( -2.428 -2.428 -0.185) 3.439 11.757 ( 2.428 2.428 -0.185) 3.439 13.726 ( -3.756 -3.756 -6.482) 8.380 13.726 ( 3.756 3.756 -6.482) 8.380 21.592 ( -0.691 -0.691 -0.091) 0.982 21.592 ( 0.691 0.691 -0.091) 0.982 22.755 ( -6.033 -6.033 5.707) 10.264 22.755 ( 6.033 6.033 5.707) 10.264 24.183 ( -7.566 -7.566 -7.672) 13.167 24.183 ( 7.566 7.566 -7.672) 13.167 24.377 ( -12.225 -12.225 4.953) 17.984 24.377 ( 12.225 12.225 4.953) 17.984 ======================= Grid point 251 (74/102) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 7.444 -43.442 -0.000) 44.075 1.922 ( 23.547 -4.222 -0.000) 23.923 3.021 ( 15.034 -5.059 -0.000) 15.863 3.163 ( -2.391 5.349 0.000) 5.859 3.556 ( 29.193 0.130 -0.000) 29.193 3.779 ( -18.114 0.482 0.000) 18.120 3.924 ( 14.257 -6.417 -0.000) 15.635 3.999 ( 4.049 -3.832 -0.000) 5.575 4.559 ( -4.448 14.516 0.000) 15.182 4.637 ( 1.551 1.518 0.000) 2.170 4.892 ( -3.485 2.266 0.000) 4.157 5.273 ( -26.526 -3.343 0.000) 26.736 6.374 ( 10.742 -1.956 -0.000) 10.919 6.431 ( 0.952 0.247 -0.000) 0.983 6.448 ( 4.263 1.963 -0.000) 4.694 6.681 ( -1.475 0.042 0.000) 1.475 6.964 ( -3.560 2.036 0.000) 4.101 7.081 ( -5.144 -2.863 -0.000) 5.887 7.553 ( 0.509 -0.143 -0.000) 0.529 8.547 ( -16.046 3.685 0.000) 16.464 9.766 ( 0.661 -5.023 -0.000) 5.066 10.559 ( -20.735 1.015 0.000) 20.759 11.615 ( 13.591 -1.646 -0.000) 13.691 11.720 ( 11.432 -1.498 -0.000) 11.530 11.976 ( 3.666 5.077 0.000) 6.263 12.613 ( -0.752 -2.300 -0.000) 2.420 12.892 ( -6.703 3.046 0.000) 7.363 13.048 ( -3.537 1.513 0.000) 3.847 21.661 ( -0.445 1.966 0.000) 2.015 21.871 ( -4.760 6.833 0.000) 8.327 22.409 ( 1.166 -12.527 -0.000) 12.582 23.061 ( -12.382 -5.686 0.000) 13.625 23.806 ( 17.082 1.686 -0.000) 17.165 24.327 ( -0.061 4.477 0.000) 4.477 24.347 ( 0.323 -1.357 -0.000) 1.394 24.722 ( -5.548 3.609 0.000) 6.618 ======================= Grid point 252 (75/102) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 9.092 -0.000 12.671) 15.595 2.080 ( 21.182 -0.000 22.401) 30.830 2.972 ( 13.681 -0.000 -1.846) 13.805 3.346 ( -1.002 -0.000 17.931) 17.959 3.569 ( 22.818 -0.000 1.831) 22.892 3.826 ( -5.895 0.000 5.028) 7.748 3.856 ( 15.480 -0.000 -2.253) 15.643 3.973 ( -5.123 0.000 0.157) 5.126 4.350 ( 0.529 0.000 -20.269) 20.276 4.912 ( -0.773 0.000 8.575) 8.610 4.941 ( -2.994 0.000 8.634) 9.138 5.057 ( -21.380 0.000 -19.594) 29.001 6.366 ( 6.887 -0.000 -1.074) 6.971 6.399 ( 5.554 -0.000 -1.988) 5.899 6.453 ( 3.630 -0.000 -1.106) 3.795 6.817 ( -8.585 0.000 12.536) 15.194 7.023 ( 7.151 -0.000 5.722) 9.158 7.096 ( -13.092 0.000 5.272) 14.113 7.565 ( -1.515 0.000 1.194) 1.928 8.566 ( -15.446 0.000 -0.898) 15.472 9.750 ( 0.567 -0.000 2.384) 2.450 10.571 ( -19.025 0.000 0.710) 19.038 11.512 ( 11.325 -0.000 -15.994) 19.598 11.627 ( 10.591 -0.000 -3.462) 11.142 11.986 ( 3.405 -0.000 -3.345) 4.773 12.462 ( -7.174 0.000 -21.057) 22.245 12.879 ( 4.092 -0.000 13.377) 13.988 13.395 ( -7.263 0.000 26.118) 27.110 21.683 ( -0.867 0.000 1.007) 1.329 21.933 ( -6.059 0.000 0.760) 6.106 22.304 ( 2.452 -0.000 -1.067) 2.674 22.972 ( -8.449 0.000 -6.332) 10.559 23.691 ( 15.469 -0.000 -14.441) 21.162 24.253 ( -1.619 0.000 -4.073) 4.383 24.402 ( -2.354 0.000 1.461) 2.771 24.903 ( -2.756 0.000 15.938) 16.175 ======================= Grid point 261 (76/102) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 5.528 -49.265 -0.000) 49.574 2.291 ( 19.842 -6.252 -0.000) 20.803 2.952 ( -8.633 11.047 0.000) 14.020 3.206 ( -24.815 1.951 0.000) 24.892 3.415 ( -0.406 -9.589 -0.000) 9.598 3.932 ( 21.645 2.784 -0.000) 21.823 4.185 ( 10.260 -5.437 -0.000) 11.612 4.246 ( -6.129 15.828 0.000) 16.973 4.291 ( 14.475 -10.283 -0.000) 17.756 4.622 ( 2.652 4.334 0.000) 5.081 4.788 ( -4.167 5.312 0.000) 6.751 4.959 ( -22.457 1.004 0.000) 22.479 6.461 ( 1.334 -2.049 -0.000) 2.445 6.490 ( 5.014 0.984 -0.000) 5.110 6.537 ( 5.366 -2.160 -0.000) 5.785 6.697 ( 6.134 -1.326 -0.000) 6.276 6.786 ( -8.218 5.994 0.000) 10.172 7.057 ( -2.818 5.198 0.000) 5.912 7.661 ( 6.320 -9.482 -0.000) 11.395 8.254 ( -16.587 6.484 0.000) 17.809 9.876 ( 0.763 -9.646 -0.000) 9.676 10.280 ( -17.822 1.188 0.000) 17.861 11.770 ( 11.497 3.074 -0.000) 11.901 11.937 ( 4.013 8.139 0.000) 9.075 11.962 ( 11.904 -9.401 -0.000) 15.168 12.520 ( -11.338 3.967 0.000) 12.012 12.839 ( 1.708 -0.433 -0.000) 1.762 12.974 ( -3.466 2.255 0.000) 4.136 21.637 ( 0.845 1.439 0.000) 1.669 21.733 ( -2.744 5.421 0.000) 6.076 22.611 ( -1.000 -16.279 -0.000) 16.310 22.958 ( -15.448 -6.331 0.000) 16.695 23.996 ( 15.731 3.283 -0.000) 16.070 24.251 ( 2.107 8.765 0.000) 9.014 24.387 ( 1.375 -3.063 -0.000) 3.357 24.590 ( -5.185 4.539 0.000) 6.891 ======================= Grid point 262 (77/102) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 6.932 -37.810 7.962) 39.256 2.373 ( 17.871 -3.317 18.075) 25.634 3.126 ( -8.659 4.906 1.725) 10.101 3.254 ( 4.375 -6.584 4.047) 8.881 3.387 ( -28.806 2.862 14.381) 32.323 3.953 ( 21.453 0.004 0.916) 21.473 4.075 ( 10.935 -4.204 -4.615) 12.591 4.153 ( 10.821 -0.988 -5.523) 12.190 4.341 ( 2.976 3.056 -12.856) 13.546 4.649 ( -13.376 9.477 -4.641) 17.037 4.877 ( -2.302 2.337 3.892) 5.090 4.973 ( -9.011 -4.692 7.367) 12.549 6.415 ( 1.769 -1.147 -3.337) 3.948 6.497 ( 4.494 1.480 -1.734) 5.040 6.529 ( 7.059 -1.760 1.201) 7.374 6.722 ( -2.444 1.344 4.191) 5.034 6.924 ( -5.031 4.200 7.317) 9.823 7.133 ( 2.113 -1.548 6.880) 7.362 7.568 ( 1.453 -3.009 -0.866) 3.452 8.327 ( -15.781 3.436 0.742) 16.167 9.791 ( 0.492 -4.903 2.089) 5.352 10.311 ( -17.969 0.435 2.485) 18.146 11.673 ( 8.685 -2.191 -21.404) 23.203 11.775 ( 11.596 -0.074 -2.273) 11.817 12.009 ( 3.625 3.365 -2.862) 5.714 12.351 ( -7.915 1.455 -20.393) 21.923 12.943 ( 4.379 -1.132 15.458) 16.106 13.278 ( -6.733 2.744 24.728) 25.775 21.662 ( -0.298 1.286 0.840) 1.564 21.811 ( -4.608 5.051 0.655) 6.868 22.413 ( 1.143 -9.966 -1.562) 10.152 22.871 ( -11.994 -5.041 -2.025) 13.167 23.880 ( 13.976 2.295 -18.110) 22.991 24.243 ( -0.511 -0.778 -4.174) 4.276 24.361 ( -2.119 1.443 0.320) 2.584 24.850 ( 0.002 4.366 18.146) 18.664 ======================= Grid point 263 (78/102) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 6.768 -0.000 17.087) 18.379 2.705 ( 13.354 -0.000 26.079) 29.299 3.060 ( 10.125 -0.000 -9.549) 13.918 3.281 ( -30.160 0.000 3.909) 30.412 3.770 ( -14.048 0.000 17.884) 22.741 3.949 ( 8.312 -0.000 -7.057) 10.903 4.010 ( 11.880 -0.000 12.982) 17.597 4.083 ( 9.664 -0.000 -2.246) 9.921 4.101 ( 3.486 -0.000 -14.885) 15.288 4.642 ( -3.705 0.000 -2.441) 4.436 4.963 ( -0.383 0.000 5.169) 5.183 5.087 ( -1.281 0.000 8.615) 8.710 6.321 ( 2.898 -0.000 -8.179) 8.678 6.479 ( 3.652 -0.000 -2.005) 4.166 6.518 ( 4.408 -0.000 -0.713) 4.465 6.795 ( -9.306 0.000 1.862) 9.490 7.094 ( -2.564 0.000 9.910) 10.236 7.242 ( 7.150 -0.000 9.260) 11.700 7.546 ( -3.592 0.000 0.078) 3.593 8.369 ( -12.600 0.000 1.674) 12.711 9.806 ( 0.274 -0.000 4.044) 4.053 10.367 ( -17.456 0.000 4.365) 17.993 11.307 ( 6.877 -0.000 -22.461) 23.490 11.728 ( 9.830 -0.000 -4.018) 10.619 11.956 ( 3.042 -0.000 -6.195) 6.902 12.047 ( -5.113 0.000 -19.306) 19.971 13.198 ( 4.515 -0.000 17.178) 17.761 13.681 ( -6.577 0.000 23.870) 24.759 21.693 ( -0.856 0.000 1.727) 1.928 21.874 ( -5.964 0.000 2.192) 6.354 22.313 ( 2.431 -0.000 -2.133) 3.234 22.763 ( -7.742 0.000 -6.679) 10.225 23.589 ( 9.217 -0.000 -19.391) 21.470 24.204 ( 0.280 -0.000 -0.851) 0.896 24.379 ( -2.420 0.000 0.589) 2.490 25.147 ( 1.491 -0.000 15.299) 15.371 ======================= Grid point 270 (79/102) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( -2.715 -21.439 -0.000) 21.610 2.524 ( -21.439 -2.715 0.000) 21.610 2.695 ( -5.495 -5.517 -0.000) 7.787 2.695 ( -5.517 -5.495 0.000) 7.787 3.763 ( 15.692 -8.263 -0.000) 17.735 3.763 ( -8.263 15.692 0.000) 17.735 4.255 ( 6.061 4.070 -0.000) 7.301 4.255 ( 4.070 6.061 0.000) 7.301 4.631 ( 3.986 -11.856 -0.000) 12.509 4.631 ( -11.856 3.986 0.000) 12.509 4.655 ( 3.636 2.105 -0.000) 4.201 4.655 ( 2.105 3.636 0.000) 4.201 6.508 ( 0.748 -1.854 -0.000) 1.999 6.508 ( -1.854 0.748 0.000) 1.999 6.620 ( 5.358 -3.411 -0.000) 6.352 6.620 ( -3.411 5.358 0.000) 6.352 6.882 ( 11.154 -3.358 -0.000) 11.648 6.882 ( -3.358 11.154 0.000) 11.648 7.936 ( 2.494 -9.809 -0.000) 10.121 7.936 ( -9.809 2.494 0.000) 10.121 10.048 ( -2.221 -10.755 -0.000) 10.982 10.048 ( -10.755 -2.221 0.000) 10.982 11.867 ( 7.605 6.488 -0.000) 9.997 11.867 ( 6.488 7.605 0.000) 9.997 12.259 ( 2.555 -5.609 -0.000) 6.164 12.259 ( -5.609 2.555 0.000) 6.164 12.897 ( 1.133 -1.303 -0.000) 1.726 12.897 ( -1.303 1.133 0.000) 1.726 21.654 ( 2.855 -0.381 -0.000) 2.881 21.654 ( -0.381 2.855 0.000) 2.881 22.807 ( -8.672 -12.342 -0.000) 15.084 22.807 ( -12.342 -8.672 0.000) 15.084 24.144 ( 8.879 7.476 -0.000) 11.607 24.144 ( 7.476 8.879 0.000) 11.607 24.470 ( -0.295 -0.951 -0.000) 0.996 24.470 ( -0.951 -0.295 0.000) 0.996 ======================= Grid point 272 (80/102) ======================= q-point: (-0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 5.191 -46.279 4.030) 46.743 2.617 ( -21.219 1.186 1.271) 21.290 2.640 ( -11.463 -0.813 13.458) 17.697 3.086 ( -5.245 8.772 23.972) 26.060 3.567 ( 14.140 -12.739 -2.450) 19.189 3.969 ( -10.754 14.764 -4.776) 18.879 4.190 ( 7.901 -2.610 -7.423) 11.151 4.237 ( 2.837 -2.336 -7.811) 8.633 4.446 ( -0.624 -0.661 -15.889) 15.915 4.517 ( 9.186 0.492 6.399) 11.206 4.804 ( -2.787 2.755 7.772) 8.704 4.884 ( -2.359 3.930 10.581) 11.532 6.463 ( 1.351 -2.632 -2.000) 3.571 6.511 ( -0.597 1.386 -1.615) 2.210 6.596 ( 2.644 -1.480 0.393) 3.056 6.678 ( -1.424 4.207 -1.690) 4.752 6.925 ( 9.497 -0.308 9.352) 13.332 7.080 ( -1.865 8.149 7.449) 11.197 7.710 ( 2.754 -10.777 -4.329) 11.937 8.067 ( -12.268 4.637 4.404) 13.834 9.893 ( 0.135 -8.964 1.132) 9.036 10.087 ( -14.069 -0.354 3.528) 14.509 11.774 ( 6.113 2.319 -20.744) 21.750 11.943 ( 7.932 -3.034 -6.495) 10.692 12.004 ( 3.548 3.736 -3.636) 6.306 12.213 ( -6.088 3.537 -16.446) 17.889 13.030 ( 4.138 -3.036 17.483) 18.221 13.149 ( -4.866 4.092 22.590) 23.467 21.656 ( 1.349 0.181 0.594) 1.485 21.703 ( -2.131 3.649 0.508) 4.256 22.559 ( -2.083 -10.620 -4.159) 11.594 22.778 ( -13.395 -7.311 2.415) 15.450 23.993 ( 9.784 5.277 -21.994) 24.643 24.262 ( 1.494 -0.956 -1.646) 2.420 24.310 ( -2.225 1.606 -1.039) 2.934 24.802 ( 3.346 5.434 19.868) 20.868 ======================= Grid point 273 (81/102) ======================= q-point: (-0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 5.396 -31.436 13.043) 34.459 2.706 ( -34.973 1.852 6.519) 35.623 2.913 ( 2.522 -0.739 22.591) 22.743 3.231 ( 5.078 -5.554 -10.957) 13.292 3.624 ( -4.218 1.082 9.464) 10.418 3.996 ( -5.704 3.575 1.625) 6.925 4.064 ( 2.607 0.438 -2.516) 3.649 4.146 ( 4.459 -1.098 -5.317) 7.025 4.191 ( 3.095 -1.675 -8.086) 8.819 4.671 ( 10.379 2.462 9.275) 14.135 4.951 ( 0.215 1.358 7.547) 7.671 5.065 ( -0.918 1.834 7.793) 8.058 6.364 ( 1.735 -1.884 -7.178) 7.621 6.492 ( -0.500 2.320 -4.244) 4.862 6.561 ( 1.062 -2.459 -1.804) 3.229 6.702 ( -3.030 1.756 -0.760) 3.583 7.111 ( 7.869 2.307 11.830) 14.394 7.312 ( 2.006 2.995 11.916) 12.450 7.526 ( -2.182 -5.304 -4.991) 7.602 8.196 ( -9.222 2.561 5.985) 11.288 9.839 ( 0.164 -4.315 3.518) 5.570 10.145 ( -14.955 -0.562 4.698) 15.686 11.393 ( 3.839 -1.332 -23.594) 23.941 11.845 ( 7.899 0.798 -6.651) 10.357 11.974 ( -0.297 2.064 -13.177) 13.341 11.991 ( -0.032 1.022 -9.154) 9.211 13.268 ( 3.909 -1.494 16.858) 17.370 13.580 ( -4.401 3.167 24.909) 25.492 21.678 ( -0.061 0.518 1.536) 1.622 21.769 ( -4.184 3.434 1.733) 5.683 22.390 ( 0.882 -5.827 -3.280) 6.745 22.683 ( -10.657 -6.201 -2.498) 12.580 23.683 ( 6.284 1.747 -22.323) 23.257 24.227 ( 1.951 -0.761 -0.323) 2.119 24.342 ( -1.524 1.448 0.542) 2.171 25.151 ( 3.790 4.153 16.161) 17.111 ======================= Grid point 274 (82/102) ======================= q-point: (-0.20 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 4.707 -0.000 17.017) 17.656 2.844 ( -37.346 0.000 9.288) 38.484 2.934 ( 4.420 -0.000 -18.585) 19.103 3.268 ( 5.783 -0.000 16.351) 17.344 3.504 ( -14.895 0.000 -10.760) 18.375 3.922 ( 3.252 -0.000 -8.895) 9.471 3.939 ( 2.928 -0.000 -10.538) 10.937 4.143 ( -1.799 0.000 4.131) 4.506 4.502 ( 9.077 -0.000 26.547) 28.055 4.900 ( 8.844 -0.000 22.281) 23.973 5.062 ( 1.737 -0.000 5.704) 5.963 5.168 ( -0.557 0.000 4.049) 4.087 6.185 ( 1.635 -0.000 -14.479) 14.571 6.421 ( -5.010 0.000 -9.621) 10.848 6.493 ( 3.381 -0.000 -2.321) 4.101 6.698 ( -4.119 0.000 -0.957) 4.229 7.317 ( 8.502 -0.000 11.424) 14.241 7.380 ( -2.076 0.000 -4.624) 5.069 7.538 ( -0.122 -0.000 10.351) 10.352 8.316 ( -4.785 0.000 7.316) 8.742 9.875 ( -0.036 -0.000 4.544) 4.544 10.213 ( -15.544 0.000 4.567) 16.201 11.080 ( 3.789 -0.000 -15.386) 15.845 11.720 ( 0.959 -0.000 -10.461) 10.505 11.795 ( 4.268 -0.000 -8.715) 9.704 11.882 ( 2.121 -0.000 -7.809) 8.092 13.490 ( 3.980 -0.000 13.036) 13.630 13.955 ( -2.920 0.000 20.335) 20.544 21.712 ( -0.716 0.000 2.114) 2.232 21.837 ( -5.926 0.000 3.356) 6.811 22.304 ( 1.936 -0.000 -2.984) 3.557 22.558 ( -7.061 0.000 -6.784) 9.792 23.397 ( 3.705 -0.000 -15.941) 16.366 24.223 ( 2.549 -0.000 0.356) 2.573 24.361 ( -1.737 0.000 0.781) 1.904 25.391 ( 4.502 -0.000 11.114) 11.991 ======================= Grid point 282 (83/102) ======================= q-point: ( 0.60 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -18.644 -18.644 8.349) 27.657 2.122 ( -19.823 -19.823 8.716) 29.358 2.981 ( 0.154 0.154 24.267) 24.268 3.289 ( 2.418 2.418 -8.501) 9.163 3.643 ( -8.241 -8.241 -15.603) 19.475 3.852 ( 3.285 3.285 26.118) 26.529 4.091 ( 2.953 2.953 -5.880) 7.212 4.188 ( -0.802 -0.802 -9.237) 9.307 4.225 ( 0.178 0.178 -5.145) 5.151 4.752 ( 6.640 6.640 7.986) 12.327 4.941 ( 0.524 0.524 10.479) 10.505 5.033 ( 2.488 2.488 7.270) 8.077 6.407 ( -1.681 -1.681 -7.310) 7.687 6.447 ( 0.089 0.089 -4.502) 4.504 6.602 ( 0.397 0.397 -1.712) 1.802 6.656 ( 0.682 0.682 -1.564) 1.837 7.217 ( 5.317 5.317 10.121) 12.609 7.228 ( 4.491 4.491 12.759) 14.252 7.576 ( -6.370 -6.370 -6.855) 11.321 8.100 ( -1.087 -1.087 9.390) 9.515 9.898 ( -3.195 -3.195 2.174) 5.014 10.017 ( -6.950 -6.950 5.797) 11.410 11.431 ( 0.198 0.198 -24.263) 24.264 11.920 ( 3.823 3.823 -7.353) 9.127 11.922 ( 0.237 0.237 -16.200) 16.204 11.991 ( 2.440 2.440 -4.842) 5.946 13.317 ( -0.273 -0.273 15.985) 15.990 13.514 ( 1.425 1.425 26.095) 26.173 21.693 ( 0.114 0.114 1.887) 1.894 21.694 ( 0.379 0.379 0.929) 1.073 22.446 ( -2.968 -2.968 -5.215) 6.694 22.647 ( -10.257 -10.257 0.613) 14.518 23.714 ( 3.570 3.570 -23.079) 23.625 24.256 ( 0.304 0.304 -0.397) 0.585 24.312 ( 0.914 0.914 0.691) 1.465 25.147 ( 5.180 5.180 16.417) 17.977 ======================= Grid point 284 (84/102) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 3.530 -26.841 14.361) 30.646 2.295 ( -38.847 1.979 11.188) 40.474 3.014 ( 2.758 -3.614 -19.996) 20.506 3.262 ( -12.196 -4.197 -18.599) 22.633 3.395 ( 1.419 0.941 25.268) 25.325 3.936 ( -1.601 -2.041 -15.589) 15.803 4.012 ( 5.397 -0.192 -5.889) 7.990 4.098 ( -1.697 2.697 -0.292) 3.200 4.599 ( 6.188 1.925 36.457) 37.029 4.955 ( 6.325 5.855 9.965) 13.175 5.101 ( 1.804 -1.807 10.930) 11.224 5.155 ( 0.172 1.741 4.883) 5.187 6.202 ( -1.043 -1.769 -15.096) 15.235 6.358 ( -1.231 1.530 -9.480) 9.681 6.561 ( 2.910 -2.367 -2.026) 4.263 6.642 ( -2.759 1.586 -1.883) 3.698 7.322 ( -2.834 -0.997 -5.069) 5.893 7.456 ( 5.556 -1.355 9.379) 10.986 7.527 ( 1.701 3.815 11.416) 12.156 8.263 ( -1.258 1.162 10.788) 10.924 9.898 ( -0.242 -3.070 3.972) 5.026 10.043 ( -10.803 -2.331 4.854) 12.071 11.116 ( 0.791 -0.555 -15.579) 15.609 11.714 ( 0.359 0.910 -11.557) 11.598 11.844 ( 4.343 2.521 -8.148) 9.571 11.910 ( 1.451 -0.060 -7.556) 7.695 13.536 ( 1.762 -0.407 13.336) 13.458 13.915 ( 0.203 2.308 21.648) 21.772 21.706 ( 0.277 -0.435 1.889) 1.958 21.751 ( -3.550 1.650 2.763) 4.791 22.338 ( 0.499 -1.352 -4.597) 4.818 22.508 ( -8.394 -7.100 -3.234) 11.460 23.430 ( 2.329 1.128 -17.440) 17.631 24.259 ( 2.025 -0.093 0.615) 2.118 24.336 ( -0.535 1.044 0.562) 1.301 25.428 ( 4.996 3.783 11.965) 13.507 ======================= Grid point 285 (85/102) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 2.503 -0.000 10.457) 10.752 2.469 ( -37.589 0.000 7.793) 38.388 2.683 ( 2.312 -0.000 -17.213) 17.367 2.945 ( -14.057 0.000 -16.637) 21.781 3.681 ( -4.830 0.000 -14.998) 15.757 3.730 ( 9.099 -0.000 11.372) 14.564 3.914 ( 4.352 -0.000 -5.604) 7.096 4.200 ( -9.063 0.000 15.912) 18.312 4.918 ( 13.724 -0.000 6.526) 15.197 5.163 ( 2.042 -0.000 3.617) 4.153 5.207 ( -0.015 -0.000 1.861) 1.862 5.324 ( -1.651 0.000 9.664) 9.804 6.012 ( 4.445 -0.000 -0.178) 4.448 6.193 ( -1.676 0.000 -11.609) 11.729 6.499 ( 2.959 -0.000 -2.484) 3.864 6.650 ( -4.284 0.000 2.189) 4.811 7.194 ( -7.326 0.000 -7.634) 10.581 7.603 ( 9.151 -0.000 8.596) 12.555 7.717 ( 1.795 -0.000 8.485) 8.673 8.443 ( 1.119 -0.000 11.207) 11.262 9.937 ( -0.170 -0.000 3.385) 3.389 10.089 ( -11.106 0.000 3.207) 11.560 10.949 ( 0.602 -0.000 -5.900) 5.930 11.594 ( 1.085 -0.000 -5.095) 5.209 11.749 ( 3.568 -0.000 -6.509) 7.423 11.784 ( 0.934 -0.000 -7.303) 7.363 13.710 ( 3.617 -0.000 9.335) 10.012 14.211 ( 0.734 -0.000 14.428) 14.446 21.737 ( -0.433 0.000 2.112) 2.156 21.812 ( -5.602 0.000 3.525) 6.619 22.276 ( 1.128 -0.000 -3.331) 3.517 22.376 ( -5.013 0.000 -5.770) 7.644 23.224 ( 0.688 -0.000 -10.224) 10.248 24.272 ( 2.565 -0.000 1.182) 2.824 24.355 ( -1.120 0.000 0.987) 1.493 25.606 ( 5.912 -0.000 7.580) 9.613 ======================= Grid point 294 (86/102) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -10.959 -10.959 8.551) 17.701 2.031 ( -12.534 -12.534 8.975) 19.868 2.728 ( -0.558 -0.558 -16.909) 16.927 2.816 ( -6.764 -6.764 -16.528) 19.096 3.647 ( -3.393 -3.393 -16.780) 17.453 3.797 ( 5.791 5.791 12.413) 14.871 3.963 ( 1.300 1.300 -6.662) 6.911 4.116 ( -5.552 -5.552 14.808) 16.761 5.060 ( 5.796 5.796 6.978) 10.764 5.120 ( 4.679 4.679 5.014) 8.303 5.200 ( 1.098 1.098 0.652) 1.684 5.326 ( -4.001 -4.001 5.138) 7.643 6.058 ( 2.773 2.773 9.832) 10.585 6.168 ( 0.797 0.797 -15.475) 15.516 6.563 ( -0.535 -0.535 -3.250) 3.337 6.581 ( -1.533 -1.533 1.717) 2.765 7.139 ( -4.444 -4.444 -7.862) 10.065 7.698 ( 2.907 2.907 8.379) 9.333 7.699 ( 2.964 2.964 8.648) 9.610 8.450 ( 1.224 1.224 12.492) 12.611 9.947 ( -0.934 -0.934 3.143) 3.410 10.001 ( -4.821 -4.821 3.519) 7.672 10.952 ( -0.349 -0.349 -6.263) 6.282 11.601 ( 1.046 1.046 -4.393) 4.635 11.765 ( 2.277 2.277 -7.550) 8.208 11.801 ( -0.265 -0.265 -7.281) 7.291 13.737 ( 1.306 1.306 10.376) 10.539 14.214 ( 1.608 1.608 14.925) 15.097 21.736 ( -0.053 -0.053 1.603) 1.605 21.761 ( -1.915 -1.915 3.422) 4.363 22.273 ( 1.057 1.057 -4.687) 4.919 22.362 ( -5.403 -5.403 -3.513) 8.409 23.228 ( 0.356 0.356 -11.009) 11.020 24.294 ( 0.622 0.622 1.452) 1.697 24.344 ( 0.296 0.296 0.647) 0.771 25.646 ( 3.886 3.886 8.315) 9.967 ======================= Grid point 295 (87/102) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.019 0.000 -10.946) 10.946 2.010 ( -23.911 0.000 -11.988) 26.748 2.581 ( 2.934 -0.000 0.978) 3.093 2.671 ( -9.727 0.000 2.652) 10.082 3.365 ( -5.978 0.000 -15.758) 16.853 3.855 ( 4.040 -0.000 -3.823) 5.562 3.871 ( 1.785 -0.000 -5.074) 5.379 4.443 ( -5.290 0.000 25.076) 25.628 4.857 ( -0.989 0.000 -38.416) 38.429 5.197 ( 0.983 -0.000 -1.709) 1.971 5.217 ( 4.665 -0.000 0.999) 4.771 5.251 ( 0.334 -0.000 3.304) 3.321 5.908 ( 0.983 0.000 -17.575) 17.603 6.430 ( 8.474 -0.000 8.251) 11.827 6.494 ( 1.900 -0.000 -2.754) 3.346 6.768 ( -5.518 0.000 35.541) 35.967 6.990 ( -5.000 0.000 -7.228) 8.789 7.799 ( 5.132 -0.000 3.905) 6.449 7.829 ( 0.919 -0.000 3.672) 3.786 8.651 ( 2.122 -0.000 12.047) 12.232 9.965 ( -0.098 0.000 0.345) 0.359 10.006 ( -5.953 0.000 0.617) 5.985 10.905 ( -0.796 0.000 -0.043) 0.797 11.601 ( 2.283 -0.000 2.739) 3.566 11.699 ( 0.378 -0.000 -2.952) 2.976 11.700 ( 0.049 0.000 -4.107) 4.107 13.883 ( 3.568 -0.000 6.986) 7.845 14.392 ( 1.648 -0.000 6.270) 6.482 21.762 ( -0.118 0.000 1.511) 1.516 21.790 ( -4.230 0.000 2.330) 4.829 22.237 ( 0.354 -0.000 -2.839) 2.861 22.255 ( -2.100 0.000 -3.612) 4.178 23.112 ( -0.511 0.000 -4.178) 4.209 24.321 ( 1.136 -0.000 1.607) 1.969 24.362 ( -0.433 0.000 1.374) 1.440 25.777 ( 4.809 -0.000 4.934) 6.890 ======================= Grid point 305 (88/102) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -0.000 0.000 -22.684) 22.684 1.555 ( -0.000 0.000 -22.684) 22.684 2.709 ( 0.000 -0.000 8.970) 8.970 2.709 ( 0.000 -0.000 8.970) 8.970 3.074 ( -0.000 0.000 -14.905) 14.905 3.833 ( -0.000 0.000 -0.521) 0.521 3.833 ( -0.000 0.000 -0.521) 0.521 4.096 ( -0.000 0.000 -55.123) 55.123 4.660 ( 0.000 -0.000 2.994) 2.994 5.163 ( -0.000 0.000 -3.312) 3.312 5.289 ( 0.000 -0.000 1.036) 1.036 5.289 ( 0.000 -0.000 1.036) 1.036 5.717 ( -0.000 0.000 -3.820) 3.820 6.462 ( -0.000 0.000 -3.030) 3.030 6.462 ( -0.000 0.000 -3.030) 3.030 6.852 ( -0.000 0.000 -6.197) 6.197 7.453 ( 0.000 -0.000 46.935) 46.935 7.854 ( -0.000 0.000 -1.038) 1.038 7.854 ( -0.000 0.000 -1.038) 1.038 8.844 ( 0.000 -0.000 10.764) 10.764 9.941 ( -0.000 0.000 -3.425) 3.425 9.941 ( -0.000 0.000 -3.425) 3.425 10.918 ( 0.000 -0.000 2.186) 2.186 11.672 ( 0.000 -0.000 0.684) 0.684 11.672 ( 0.000 -0.000 0.684) 0.684 11.743 ( 0.000 -0.000 12.221) 12.221 14.007 ( 0.000 -0.000 4.895) 4.895 14.430 ( -0.000 0.000 -3.046) 3.046 21.775 ( 0.000 -0.000 0.172) 0.172 21.775 ( 0.000 -0.000 0.172) 0.172 22.205 ( -0.000 0.000 -1.384) 1.384 22.205 ( -0.000 0.000 -1.384) 1.384 23.088 ( 0.000 -0.000 1.594) 1.594 24.349 ( 0.000 -0.000 1.146) 1.146 24.388 ( 0.000 -0.000 2.321) 2.321 25.873 ( 0.000 -0.000 2.685) 2.685 ======================= Grid point 360 (89/102) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 9.075 -0.000 0.000) 9.075 2.203 ( 21.277 -0.000 0.000) 21.277 3.115 ( -8.023 0.000 -0.000) 8.023 3.187 ( 14.743 -0.000 0.000) 14.743 3.305 ( -42.770 0.000 -0.000) 42.770 3.950 ( 26.184 -0.000 0.000) 26.184 4.084 ( 14.201 -0.000 0.000) 14.201 4.162 ( 15.449 -0.000 0.000) 15.449 4.641 ( -2.149 0.000 -0.000) 2.149 4.674 ( 2.281 -0.000 0.000) 2.281 4.825 ( -31.294 0.000 -0.000) 31.294 4.862 ( -3.503 0.000 -0.000) 3.503 6.438 ( 0.261 -0.000 0.000) 0.261 6.502 ( 7.683 -0.000 0.000) 7.683 6.527 ( 5.384 -0.000 0.000) 5.384 6.680 ( 3.151 -0.000 0.000) 3.151 6.913 ( -8.236 0.000 -0.000) 8.236 7.050 ( 4.310 -0.000 0.000) 4.310 7.556 ( 0.873 -0.000 0.000) 0.873 8.345 ( -17.165 0.000 -0.000) 17.165 9.740 ( 0.564 -0.000 0.000) 0.564 10.295 ( -18.539 0.000 -0.000) 18.539 11.782 ( 12.928 -0.000 0.000) 12.928 11.860 ( 10.200 -0.000 0.000) 10.200 12.059 ( 3.448 -0.000 0.000) 3.448 12.551 ( -6.826 0.000 -0.000) 6.826 12.849 ( -1.897 0.000 -0.000) 1.897 13.008 ( -3.778 0.000 -0.000) 3.778 21.664 ( -0.794 0.000 -0.000) 0.794 21.844 ( -6.081 0.000 -0.000) 6.081 22.349 ( 2.758 -0.000 0.000) 2.758 22.858 ( -12.129 0.000 -0.000) 12.129 24.041 ( 15.122 -0.000 0.000) 15.122 24.344 ( 1.107 -0.000 0.000) 1.107 24.353 ( -0.277 0.000 -0.000) 0.277 24.676 ( -4.646 0.000 -0.000) 4.646 ======================= Grid point 370 (90/102) ======================= q-point: (-0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 6.022 -38.722 -0.000) 39.188 2.482 ( 15.510 -2.388 -0.000) 15.693 2.673 ( -46.173 1.444 0.000) 46.196 2.964 ( -7.377 6.384 0.000) 9.756 3.440 ( 13.647 -8.980 -0.000) 16.337 4.210 ( 4.879 8.172 0.000) 9.518 4.272 ( 10.218 -1.931 -0.000) 10.399 4.305 ( -9.586 7.211 0.000) 11.995 4.375 ( 11.477 -3.863 -0.000) 12.110 4.674 ( -10.186 -4.853 0.000) 11.283 4.696 ( 2.457 1.495 0.000) 2.877 4.796 ( -3.223 2.821 0.000) 4.283 6.450 ( 0.538 -1.273 -0.000) 1.382 6.528 ( -1.870 0.330 0.000) 1.899 6.601 ( 6.593 0.937 -0.000) 6.660 6.792 ( -3.159 5.517 0.000) 6.357 6.807 ( 11.864 -1.552 -0.000) 11.965 7.085 ( -0.016 1.922 0.000) 1.922 7.620 ( 3.833 -6.258 -0.000) 7.338 8.091 ( -16.711 3.107 0.000) 16.997 9.782 ( 0.449 -5.132 -0.000) 5.152 10.066 ( -14.755 0.301 0.000) 14.758 11.946 ( 10.099 0.819 -0.000) 10.133 12.011 ( 9.270 -4.352 -0.000) 10.240 12.074 ( 3.268 4.349 0.000) 5.440 12.416 ( -10.379 2.401 0.000) 10.653 12.851 ( 1.354 -0.598 -0.000) 1.481 12.951 ( -3.300 1.150 0.000) 3.495 21.653 ( -0.095 0.125 0.000) 0.158 21.744 ( -4.344 2.800 0.000) 5.168 22.444 ( 1.380 -8.168 -0.000) 8.284 22.714 ( -11.885 -2.122 0.000) 12.073 24.201 ( 8.885 0.701 -0.000) 8.913 24.329 ( -0.892 2.020 0.000) 2.208 24.392 ( 5.049 -1.160 -0.000) 5.180 24.598 ( -2.520 4.211 0.000) 4.907 ======================= Grid point 371 (91/102) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 6.844 -0.000 10.199) 12.283 2.566 ( 11.952 -0.000 12.115) 17.018 2.694 ( -44.363 0.000 3.831) 44.528 3.246 ( -4.940 0.000 27.140) 27.586 3.331 ( 11.374 -0.000 -6.021) 12.869 4.136 ( -0.041 0.000 -12.480) 12.480 4.186 ( 8.617 -0.000 -8.314) 11.975 4.245 ( -0.509 0.000 -5.606) 5.629 4.395 ( 2.762 -0.000 -16.846) 17.070 4.542 ( 0.595 -0.000 9.954) 9.972 4.847 ( -3.191 0.000 7.507) 8.158 4.918 ( 0.760 -0.000 11.760) 11.785 6.424 ( 0.861 -0.000 -2.558) 2.699 6.538 ( -2.497 0.000 0.399) 2.528 6.583 ( 5.811 -0.000 -2.945) 6.514 6.736 ( 1.764 -0.000 -2.797) 3.307 6.955 ( 5.151 -0.000 10.503) 11.698 7.162 ( 2.728 -0.000 8.496) 8.923 7.554 ( 0.426 -0.000 -3.089) 3.118 8.140 ( -14.656 0.000 3.531) 15.076 9.763 ( 0.367 -0.000 2.118) 2.150 10.087 ( -14.927 0.000 2.506) 15.136 11.758 ( 6.123 -0.000 -23.502) 24.287 11.925 ( 9.800 -0.000 -3.298) 10.340 12.075 ( 2.955 -0.000 -3.679) 4.719 12.262 ( -6.615 0.000 -17.565) 18.769 12.989 ( 3.609 -0.000 16.673) 17.059 13.211 ( -5.659 0.000 24.479) 25.124 21.661 ( -0.689 0.000 0.935) 1.161 21.772 ( -5.425 0.000 0.961) 5.509 22.375 ( 2.564 -0.000 -1.347) 2.897 22.686 ( -10.677 0.000 -1.831) 10.833 24.059 ( 9.440 -0.000 -23.212) 25.058 24.233 ( 0.498 -0.000 -2.049) 2.108 24.345 ( -1.783 0.000 0.333) 1.814 24.891 ( 1.813 -0.000 20.856) 20.935 ======================= Grid point 379 (92/102) ======================= q-point: ( 0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 3.242 -47.743 -0.000) 47.853 1.967 ( -47.743 3.242 0.000) 47.853 2.749 ( 5.085 1.511 -0.000) 5.305 2.749 ( 1.511 5.085 0.000) 5.305 3.804 ( 10.833 -13.726 -0.000) 17.486 3.804 ( -13.726 10.833 0.000) 17.486 4.367 ( 3.834 3.829 0.000) 5.419 4.367 ( 3.829 3.834 0.000) 5.419 4.561 ( 3.135 -4.672 -0.000) 5.626 4.561 ( -4.672 3.135 0.000) 5.626 4.720 ( 1.812 1.565 -0.000) 2.395 4.720 ( 1.565 1.812 0.000) 2.395 6.486 ( 0.301 -2.297 -0.000) 2.317 6.486 ( -2.297 0.301 0.000) 2.317 6.685 ( 5.520 1.524 -0.000) 5.726 6.685 ( 1.524 5.520 0.000) 5.726 6.986 ( 8.884 -1.721 -0.000) 9.049 6.986 ( -1.721 8.884 0.000) 9.049 7.824 ( -1.295 -7.517 -0.000) 7.627 7.824 ( -7.517 -1.295 0.000) 7.627 9.891 ( -1.387 -8.361 -0.000) 8.475 9.891 ( -8.361 -1.387 0.000) 8.475 12.035 ( 5.643 4.548 -0.000) 7.247 12.035 ( 4.548 5.643 0.000) 7.247 12.218 ( 0.346 -3.113 -0.000) 3.132 12.218 ( -3.113 0.346 0.000) 3.132 12.893 ( 0.725 -1.179 -0.000) 1.384 12.893 ( -1.179 0.725 0.000) 1.384 21.672 ( 1.367 -1.568 -0.000) 2.080 21.672 ( -1.568 1.367 0.000) 2.080 22.581 ( -3.780 -8.223 -0.000) 9.050 22.581 ( -8.223 -3.780 0.000) 9.050 24.280 ( 2.513 0.701 -0.000) 2.609 24.280 ( 0.701 2.513 0.000) 2.609 24.496 ( 3.113 2.670 -0.000) 4.101 24.496 ( 2.670 3.113 0.000) 4.101 ======================= Grid point 381 (93/102) ======================= q-point: (-0.40 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 4.265 -35.355 7.414) 36.375 2.040 ( -46.423 1.977 4.448) 46.677 2.710 ( 5.520 -0.752 8.721) 10.349 3.177 ( 1.754 5.576 29.052) 29.634 3.548 ( 8.531 -11.589 -6.108) 15.633 3.876 ( -20.249 5.438 -9.842) 23.162 4.264 ( 4.905 2.111 -10.798) 12.047 4.303 ( 4.836 0.627 -8.178) 9.521 4.441 ( 1.605 -0.494 -15.320) 15.412 4.647 ( 8.655 0.060 11.192) 14.148 4.794 ( -2.617 1.908 10.218) 10.719 4.921 ( 1.004 1.369 11.206) 11.334 6.443 ( 0.261 -1.738 -2.059) 2.707 6.492 ( -2.823 0.489 -0.465) 2.902 6.658 ( 5.638 0.923 -3.901) 6.918 6.729 ( 0.684 3.190 -4.007) 5.167 7.057 ( 9.168 0.437 10.280) 13.782 7.158 ( 0.209 4.541 9.170) 10.235 7.599 ( -1.391 -6.416 -7.330) 9.840 7.957 ( -9.077 1.010 8.442) 12.437 9.801 ( 0.199 -4.835 1.809) 5.166 9.915 ( -10.315 -0.230 2.539) 10.625 11.826 ( 1.936 -1.211 -26.731) 26.828 12.035 ( 6.909 0.597 -4.087) 8.050 12.091 ( 2.100 2.782 -3.412) 4.878 12.180 ( -3.340 1.140 -13.872) 14.314 13.041 ( 2.103 -1.579 17.113) 17.314 13.135 ( -2.982 1.792 24.372) 24.619 21.659 ( 0.065 -0.891 0.845) 1.230 21.698 ( -3.368 1.202 0.877) 3.682 22.445 ( 1.017 -5.228 -2.056) 5.710 22.565 ( -8.982 -1.747 -0.714) 9.178 24.129 ( 2.700 1.056 -25.690) 25.853 24.264 ( 3.031 -0.072 -0.839) 3.146 24.317 ( -0.959 1.165 0.622) 1.632 24.905 ( 3.219 2.791 21.930) 22.340 ======================= Grid point 382 (94/102) ======================= q-point: (-0.30 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 4.266 -0.000 15.165) 15.754 2.154 ( -42.630 0.000 8.586) 43.486 2.966 ( 3.391 -0.000 23.874) 24.114 3.271 ( 4.957 -0.000 -16.264) 17.003 3.528 ( -9.576 0.000 -9.308) 13.354 3.949 ( -3.637 0.000 32.044) 32.250 4.123 ( 5.266 -0.000 -9.382) 10.759 4.183 ( 1.676 -0.000 -16.588) 16.672 4.216 ( 1.123 -0.000 -3.006) 3.209 4.823 ( 9.107 -0.000 10.791) 14.120 4.959 ( -0.269 -0.000 9.152) 9.156 5.078 ( 0.551 -0.000 7.762) 7.781 6.362 ( -0.199 0.000 -7.466) 7.469 6.469 ( -2.801 0.000 -3.737) 4.670 6.598 ( 4.781 -0.000 -4.142) 6.325 6.690 ( -0.925 0.000 -3.026) 3.164 7.250 ( 8.858 -0.000 12.873) 15.626 7.363 ( 1.645 -0.000 12.767) 12.872 7.436 ( -4.490 0.000 -7.992) 9.166 8.108 ( -5.658 0.000 10.208) 11.672 9.811 ( 0.110 -0.000 3.663) 3.665 9.963 ( -10.834 0.000 3.972) 11.539 11.417 ( 1.125 0.000 -24.009) 24.035 11.922 ( 1.356 -0.000 -13.257) 13.326 11.985 ( 3.184 -0.000 -8.947) 9.496 12.027 ( 1.991 -0.000 -6.897) 7.179 13.297 ( 1.687 -0.000 16.847) 16.931 13.555 ( -1.925 0.000 26.684) 26.753 21.673 ( -0.527 0.000 1.680) 1.761 21.728 ( -4.287 0.000 1.876) 4.680 22.375 ( 1.852 -0.000 -2.674) 3.253 22.519 ( -7.996 0.000 -3.173) 8.603 23.756 ( 2.963 -0.000 -23.401) 23.588 24.255 ( 2.447 -0.000 -0.167) 2.453 24.334 ( -0.864 0.000 0.658) 1.086 25.227 ( 3.517 -0.000 17.380) 17.732 ======================= Grid point 391 (95/102) ======================= q-point: (-0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -13.823 -13.823 12.316) 23.105 1.630 ( -14.824 -14.824 12.486) 24.401 2.992 ( 0.446 0.446 23.439) 23.448 3.331 ( 0.574 0.574 -16.401) 16.421 3.428 ( -6.438 -6.438 -18.180) 20.332 3.923 ( 1.978 1.978 42.064) 42.157 4.175 ( 2.510 2.510 -7.460) 8.262 4.186 ( 0.417 0.417 -15.570) 15.581 4.219 ( -0.427 -0.427 -7.821) 7.845 4.897 ( 3.897 3.897 9.776) 11.222 4.950 ( 0.215 0.215 10.607) 10.611 5.080 ( 0.959 0.959 7.613) 7.733 6.360 ( -1.446 -1.446 -7.985) 8.243 6.448 ( -0.027 -0.027 -3.276) 3.276 6.646 ( 2.175 2.175 -4.296) 5.284 6.674 ( 0.571 0.571 -4.270) 4.345 7.332 ( 2.729 2.729 8.284) 9.139 7.339 ( 3.328 3.328 13.110) 13.929 7.422 ( -4.386 -4.386 -4.922) 7.918 8.065 ( -1.307 -1.307 12.299) 12.437 9.834 ( -1.564 -1.564 3.169) 3.865 9.866 ( -3.889 -3.889 4.168) 6.900 11.425 ( -0.393 -0.393 -24.215) 24.222 11.924 ( -0.037 -0.037 -15.064) 15.064 12.016 ( 2.783 2.783 -7.210) 8.214 12.040 ( 1.156 1.156 -6.686) 6.883 13.309 ( -0.283 -0.283 16.750) 16.755 13.540 ( 0.545 0.545 27.414) 27.424 21.679 ( -0.802 -0.802 1.805) 2.132 21.683 ( -0.928 -0.928 1.556) 2.036 22.405 ( -0.454 -0.454 -3.566) 3.623 22.454 ( -4.138 -4.138 -2.080) 6.210 23.774 ( 1.142 1.142 -23.326) 23.382 24.276 ( 0.889 0.889 -0.564) 1.377 24.325 ( 0.182 0.182 0.887) 0.923 25.251 ( 2.495 2.495 17.707) 18.055 ======================= Grid point 392 (96/102) ======================= q-point: (-0.30 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 1.958 -0.000 15.683) 15.805 1.843 ( -26.940 0.000 13.920) 30.323 3.013 ( 1.401 -0.000 -21.153) 21.200 3.085 ( -8.842 0.000 -21.147) 22.921 3.422 ( 1.175 -0.000 30.733) 30.756 3.904 ( -1.130 0.000 -18.759) 18.793 4.068 ( 3.227 -0.000 -7.184) 7.875 4.099 ( -1.115 0.000 -5.773) 5.880 4.692 ( 4.265 -0.000 45.565) 45.764 5.067 ( 3.198 -0.000 9.891) 10.395 5.088 ( 0.194 -0.000 7.341) 7.344 5.175 ( 0.601 -0.000 3.903) 3.949 6.173 ( -1.227 0.000 -14.166) 14.220 6.362 ( 0.196 0.000 -8.734) 8.736 6.589 ( 2.852 -0.000 -3.834) 4.779 6.623 ( -1.750 0.000 -3.218) 3.663 7.233 ( -4.774 0.000 -8.577) 9.816 7.544 ( 5.409 -0.000 11.943) 13.111 7.576 ( 0.898 -0.000 11.921) 11.955 8.257 ( -0.430 -0.000 13.223) 13.230 9.874 ( -0.041 -0.000 4.267) 4.268 9.913 ( -5.774 0.000 4.283) 7.189 11.114 ( -0.171 0.000 -15.514) 15.514 11.723 ( 0.255 0.000 -10.684) 10.687 11.913 ( 2.531 -0.000 -8.573) 8.939 11.924 ( 0.845 -0.000 -8.719) 8.760 13.549 ( 0.500 -0.000 14.514) 14.522 13.934 ( 0.606 -0.000 22.684) 22.692 21.698 ( -0.278 0.000 2.181) 2.198 21.714 ( -2.589 0.000 2.332) 3.484 22.345 ( 0.864 -0.000 -3.609) 3.711 22.380 ( -4.178 0.000 -3.910) 5.722 23.460 ( 1.009 0.000 -18.336) 18.364 24.282 ( 1.029 -0.000 0.578) 1.180 24.339 ( -0.018 -0.000 0.567) 0.567 25.506 ( 2.804 -0.000 13.162) 13.457 ======================= Grid point 402 (97/102) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.000 -0.000 8.829) 8.829 1.849 ( 0.000 -0.000 8.829) 8.829 2.720 ( -0.000 0.000 -16.239) 16.239 2.720 ( -0.000 0.000 -16.239) 16.239 3.600 ( -0.000 0.000 -18.924) 18.924 3.935 ( 0.000 -0.000 33.120) 33.120 3.981 ( -0.000 0.000 -6.949) 6.949 3.981 ( -0.000 0.000 -6.949) 6.949 5.186 ( 0.000 -0.000 5.300) 5.300 5.186 ( 0.000 -0.000 5.300) 5.300 5.214 ( 0.000 -0.000 0.635) 0.635 5.224 ( 0.000 -0.000 2.834) 2.834 6.107 ( 0.000 -0.000 19.527) 19.527 6.181 ( -0.000 0.000 -15.409) 15.409 6.555 ( -0.000 0.000 -3.248) 3.248 6.555 ( -0.000 0.000 -3.248) 3.248 7.071 ( -0.000 0.000 -7.972) 7.972 7.741 ( 0.000 -0.000 8.494) 8.494 7.741 ( 0.000 -0.000 8.494) 8.494 8.466 ( 0.000 -0.000 13.543) 13.543 9.934 ( 0.000 -0.000 3.331) 3.331 9.934 ( 0.000 -0.000 3.331) 3.331 10.946 ( -0.000 0.000 -6.505) 6.505 11.615 ( -0.000 0.000 -3.692) 3.692 11.798 ( -0.000 0.000 -8.011) 8.011 11.798 ( -0.000 0.000 -8.011) 8.011 13.755 ( 0.000 -0.000 11.687) 11.687 14.236 ( 0.000 -0.000 15.405) 15.405 21.730 ( 0.000 -0.000 2.250) 2.250 21.730 ( 0.000 -0.000 2.250) 2.250 22.292 ( -0.000 0.000 -3.776) 3.776 22.292 ( -0.000 0.000 -3.776) 3.776 23.233 ( -0.000 0.000 -11.761) 11.761 24.303 ( 0.000 -0.000 1.373) 1.373 24.348 ( 0.000 -0.000 0.590) 0.590 25.698 ( 0.000 -0.000 9.213) 9.213 ======================= Grid point 478 (98/102) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 5.190 -0.000 0.000) 5.190 2.019 ( -47.942 0.000 -0.000) 47.942 2.674 ( 12.459 -0.000 0.000) 12.459 2.922 ( -5.265 0.000 -0.000) 5.265 3.525 ( 9.066 -0.000 0.000) 9.066 4.019 ( -24.777 0.000 -0.000) 24.777 4.396 ( 8.824 -0.000 0.000) 8.824 4.425 ( 9.256 -0.000 0.000) 9.256 4.483 ( 7.761 -0.000 0.000) 7.761 4.598 ( -0.968 0.000 -0.000) 0.968 4.730 ( 1.223 -0.000 0.000) 1.223 4.774 ( -2.648 0.000 -0.000) 2.648 6.446 ( 0.284 -0.000 0.000) 0.284 6.494 ( -2.792 0.000 -0.000) 2.792 6.704 ( 7.127 -0.000 0.000) 7.127 6.816 ( 0.065 -0.000 0.000) 0.065 6.953 ( 10.426 -0.000 0.000) 10.426 7.106 ( 0.390 -0.000 0.000) 0.390 7.615 ( 2.676 -0.000 0.000) 2.676 7.894 ( -14.754 0.000 -0.000) 14.754 9.751 ( 0.279 -0.000 0.000) 0.279 9.896 ( -10.269 0.000 -0.000) 10.269 12.068 ( 7.545 -0.000 0.000) 7.545 12.091 ( 6.207 -0.000 0.000) 6.207 12.140 ( 2.281 -0.000 0.000) 2.281 12.304 ( -8.509 0.000 -0.000) 8.509 12.864 ( 1.242 -0.000 0.000) 1.242 12.918 ( -2.508 0.000 -0.000) 2.508 21.646 ( -0.481 0.000 -0.000) 0.481 21.699 ( -4.161 0.000 -0.000) 4.161 22.419 ( 2.104 -0.000 0.000) 2.104 22.567 ( -8.269 0.000 -0.000) 8.269 24.260 ( 1.480 -0.000 0.000) 1.480 24.313 ( -2.442 0.000 -0.000) 2.442 24.491 ( 8.427 -0.000 0.000) 8.427 24.614 ( -0.164 0.000 -0.000) 0.164 ======================= Grid point 488 (99/102) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 2.255 -36.523 -0.000) 36.593 1.410 ( -36.523 2.255 0.000) 36.593 2.823 ( 2.380 1.515 -0.000) 2.821 2.823 ( 1.515 2.380 0.000) 2.821 3.712 ( 4.748 -12.712 -0.000) 13.570 3.712 ( -12.712 4.748 0.000) 13.570 4.476 ( 3.911 3.647 -0.000) 5.347 4.476 ( 3.647 3.911 0.000) 5.347 4.570 ( 1.369 0.352 -0.000) 1.413 4.570 ( 0.352 1.369 0.000) 1.413 4.741 ( -0.019 -0.044 -0.000) 0.048 4.741 ( -0.044 -0.019 0.000) 0.048 6.461 ( -0.438 -1.045 -0.000) 1.133 6.461 ( -1.045 -0.438 0.000) 1.133 6.785 ( 4.440 1.989 -0.000) 4.865 6.785 ( 1.989 4.440 0.000) 4.865 7.070 ( 4.858 0.021 -0.000) 4.858 7.070 ( 0.021 4.858 0.000) 4.858 7.711 ( -2.575 -4.505 -0.000) 5.189 7.711 ( -4.505 -2.575 0.000) 5.189 9.790 ( -0.240 -4.828 -0.000) 4.834 9.790 ( -4.828 -0.240 0.000) 4.834 12.139 ( 3.195 1.853 0.000) 3.694 12.139 ( 1.853 3.195 0.000) 3.694 12.188 ( -0.359 -1.233 -0.000) 1.285 12.188 ( -1.233 -0.359 0.000) 1.285 12.886 ( 0.586 -1.008 -0.000) 1.166 12.886 ( -1.008 0.586 0.000) 1.166 21.654 ( 0.020 -1.812 -0.000) 1.812 21.654 ( -1.812 0.020 0.000) 1.812 22.475 ( 0.001 -4.174 -0.000) 4.174 22.475 ( -4.174 0.001 0.000) 4.174 24.281 ( -0.466 -0.726 -0.000) 0.863 24.281 ( -0.726 -0.466 0.000) 0.863 24.583 ( 2.708 2.564 -0.000) 3.729 24.583 ( 2.564 2.708 0.000) 3.729 ======================= Grid point 490 (100/102) ======================= q-point: (-0.40 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 2.546 -0.000 9.219) 9.564 1.483 ( -34.583 0.000 7.251) 35.335 2.755 ( 1.703 -0.000 6.352) 6.576 3.253 ( 3.051 -0.000 35.031) 35.164 3.540 ( 3.786 -0.000 -10.095) 10.781 3.666 ( -13.850 0.000 -9.704) 16.911 4.341 ( 2.963 -0.000 -11.559) 11.933 4.350 ( 1.831 -0.000 -10.397) 10.557 4.468 ( 1.833 -0.000 -16.814) 16.914 4.741 ( 4.706 -0.000 12.748) 13.589 4.782 ( -1.333 0.000 12.054) 12.128 4.939 ( 0.424 -0.000 11.566) 11.574 6.428 ( -0.669 0.000 -2.762) 2.842 6.467 ( -1.017 0.000 0.058) 1.019 6.740 ( 4.430 -0.000 -5.414) 6.996 6.765 ( 0.921 -0.000 -5.732) 5.805 7.164 ( 5.482 -0.000 10.670) 11.996 7.198 ( 0.629 -0.000 10.186) 10.206 7.518 ( -3.332 0.000 -9.848) 10.396 7.868 ( -4.089 0.000 11.801) 12.489 9.769 ( 0.111 -0.000 1.965) 1.968 9.806 ( -5.323 0.000 2.030) 5.697 11.827 ( -0.122 0.000 -27.515) 27.515 12.114 ( 3.755 -0.000 -4.717) 6.029 12.134 ( 1.186 -0.000 -3.922) 4.097 12.156 ( -1.227 0.000 -11.888) 11.951 13.045 ( 0.128 -0.000 16.319) 16.320 13.122 ( -0.616 -0.000 25.703) 25.710 21.648 ( -0.260 0.000 0.886) 0.923 21.662 ( -2.290 0.000 0.902) 2.461 22.429 ( 1.135 -0.000 -1.566) 1.934 22.468 ( -4.463 0.000 -1.571) 4.731 24.136 ( -0.482 0.000 -20.173) 20.179 24.305 ( 0.685 -0.000 0.542) 0.873 24.325 ( 1.732 -0.000 -5.914) 6.163 24.961 ( 2.104 -0.000 22.132) 22.232 ======================= Grid point 500 (101/102) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.000 -0.000 14.623) 14.623 1.410 ( 0.000 -0.000 14.623) 14.623 2.999 ( 0.000 -0.000 23.253) 23.253 3.335 ( -0.000 0.000 -18.616) 18.616 3.335 ( -0.000 0.000 -18.616) 18.616 3.953 ( 0.000 -0.000 48.972) 48.972 4.196 ( -0.000 0.000 -19.309) 19.309 4.210 ( -0.000 0.000 -8.518) 8.518 4.210 ( -0.000 0.000 -8.518) 8.518 4.953 ( 0.000 -0.000 10.361) 10.361 4.953 ( 0.000 -0.000 10.361) 10.361 5.090 ( 0.000 -0.000 7.769) 7.769 6.340 ( -0.000 0.000 -8.253) 8.253 6.447 ( -0.000 0.000 -2.662) 2.662 6.683 ( -0.000 0.000 -5.367) 5.367 6.683 ( -0.000 0.000 -5.367) 5.367 7.337 ( -0.000 0.000 -9.486) 9.486 7.388 ( 0.000 -0.000 12.931) 12.931 7.388 ( 0.000 -0.000 12.931) 12.931 8.044 ( 0.000 -0.000 13.552) 13.552 9.813 ( 0.000 -0.000 3.520) 3.520 9.813 ( 0.000 -0.000 3.520) 3.520 11.419 ( -0.000 0.000 -24.077) 24.077 11.923 ( -0.000 0.000 -14.774) 14.774 12.056 ( -0.000 0.000 -7.185) 7.185 12.056 ( -0.000 0.000 -7.185) 7.185 13.305 ( 0.000 -0.000 17.063) 17.063 13.547 ( 0.000 -0.000 27.826) 27.826 21.666 ( 0.000 -0.000 1.657) 1.657 21.666 ( 0.000 -0.000 1.657) 1.657 22.402 ( -0.000 0.000 -2.908) 2.908 22.402 ( -0.000 0.000 -2.908) 2.908 23.788 ( -0.000 0.000 -22.947) 22.947 24.290 ( -0.000 0.000 -1.022) 1.022 24.327 ( 0.000 -0.000 1.071) 1.071 25.284 ( 0.000 -0.000 18.038) 18.038 ======================= Grid point 598 (102/102) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.000 -0.000 0.000) 0.000 1.150 ( 0.000 -0.000 0.000) 0.000 2.850 ( 0.000 -0.000 -0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 -0.000 0.000) 0.000 3.649 ( 0.000 -0.000 0.000) 0.000 4.535 ( 0.000 -0.000 0.000) 0.000 4.535 ( 0.000 -0.000 0.000) 0.000 4.586 ( 0.000 -0.000 0.000) 0.000 4.586 ( 0.000 -0.000 0.000) 0.000 4.735 ( 0.000 -0.000 -0.000) 0.000 4.735 ( 0.000 0.000 0.000) 0.000 6.450 ( 0.000 -0.000 -0.000) 0.000 6.450 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 -0.000 0.000) 0.000 6.833 ( 0.000 -0.000 0.000) 0.000 7.106 ( 0.000 -0.000 0.000) 0.000 7.106 ( 0.000 -0.000 0.000) 0.000 7.657 ( 0.000 -0.000 -0.000) 0.000 7.657 ( 0.000 0.000 0.000) 0.000 9.755 ( 0.000 -0.000 0.000) 0.000 9.755 ( 0.000 -0.000 0.000) 0.000 12.173 ( 0.000 -0.000 0.000) 0.000 12.173 ( 0.000 -0.000 0.000) 0.000 12.177 ( 0.000 -0.000 -0.000) 0.000 12.177 ( 0.000 0.000 0.000) 0.000 12.883 ( 0.000 -0.000 -0.000) 0.000 12.883 ( 0.000 0.000 0.000) 0.000 21.639 ( 0.000 -0.000 0.000) 0.000 21.639 ( 0.000 -0.000 0.000) 0.000 22.449 ( 0.000 -0.000 0.000) 0.000 22.449 ( 0.000 -0.000 0.000) 0.000 24.271 ( 0.000 -0.000 -0.000) 0.000 24.271 ( 0.000 0.000 0.000) 0.000 24.620 ( 0.000 -0.000 -0.000) 0.000 24.620 ( 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 3/36000 10.0 5303.816 5303.816 4716.904 0.000 -0.000 -0.000 3/36000 20.0 927.299 927.299 879.820 0.000 0.000 -0.000 3/36000 30.0 338.959 338.959 318.802 0.000 0.000 0.000 3/36000 40.0 179.869 179.869 174.545 0.000 0.000 0.000 3/36000 50.0 114.667 114.667 115.175 0.000 0.000 0.000 3/36000 60.0 81.668 81.668 84.407 0.000 0.000 0.000 3/36000 70.0 62.583 62.583 66.087 0.000 0.000 0.000 3/36000 80.0 50.450 50.450 54.100 0.000 0.000 0.000 3/36000 90.0 42.174 42.174 45.717 0.000 0.000 0.000 3/36000 100.0 36.217 36.217 39.564 0.000 0.000 0.000 3/36000 110.0 31.746 31.746 34.876 0.000 0.000 0.000 3/36000 120.0 28.275 28.275 31.200 0.000 0.000 0.000 3/36000 130.0 25.507 25.507 28.246 0.000 0.000 0.000 3/36000 140.0 23.251 23.251 25.826 0.000 0.000 0.000 3/36000 150.0 21.378 21.378 23.809 0.000 0.000 0.000 3/36000 160.0 19.797 19.797 22.104 0.000 0.000 0.000 3/36000 170.0 18.447 18.447 20.643 0.000 0.000 0.000 3/36000 180.0 17.279 17.279 19.379 0.000 0.000 0.000 3/36000 190.0 16.259 16.259 18.273 0.000 0.000 0.000 3/36000 200.0 15.361 15.361 17.297 0.000 0.000 0.000 3/36000 210.0 14.563 14.563 16.430 0.000 0.000 0.000 3/36000 220.0 13.850 13.850 15.654 0.000 0.000 0.000 3/36000 230.0 13.208 13.208 14.954 0.000 0.000 0.000 3/36000 240.0 12.627 12.627 14.321 0.000 0.000 0.000 3/36000 250.0 12.099 12.099 13.743 0.000 0.000 0.000 3/36000 260.0 11.616 11.616 13.215 0.000 0.000 0.000 3/36000 270.0 11.172 11.172 12.728 0.000 0.000 0.000 3/36000 280.0 10.763 10.763 12.280 0.000 0.000 0.000 3/36000 290.0 10.385 10.385 11.864 0.000 0.000 0.000 3/36000 300.0 10.035 10.035 11.478 0.000 0.000 0.000 3/36000 310.0 9.708 9.708 11.118 0.000 0.000 0.000 3/36000 320.0 9.403 9.403 10.781 0.000 0.000 0.000 3/36000 330.0 9.118 9.118 10.465 0.000 0.000 0.000 3/36000 340.0 8.850 8.850 10.168 0.000 0.000 0.000 3/36000 350.0 8.598 8.598 9.888 0.000 0.000 0.000 3/36000 360.0 8.361 8.361 9.625 0.000 0.000 0.000 3/36000 370.0 8.137 8.137 9.375 0.000 0.000 0.000 3/36000 380.0 7.925 7.925 9.139 0.000 0.000 0.000 3/36000 390.0 7.724 7.724 8.914 0.000 0.000 0.000 3/36000 400.0 7.534 7.534 8.701 0.000 0.000 0.000 3/36000 410.0 7.353 7.353 8.498 0.000 0.000 0.000 3/36000 420.0 7.180 7.180 8.304 0.000 0.000 0.000 3/36000 430.0 7.016 7.016 8.120 0.000 0.000 0.000 3/36000 440.0 6.859 6.859 7.943 0.000 0.000 0.000 3/36000 450.0 6.709 6.709 7.774 0.000 0.000 0.000 3/36000 460.0 6.566 6.566 7.613 0.000 0.000 0.000 3/36000 470.0 6.429 6.429 7.458 0.000 0.000 0.000 3/36000 480.0 6.298 6.298 7.309 0.000 0.000 0.000 3/36000 490.0 6.171 6.171 7.166 0.000 0.000 0.000 3/36000 500.0 6.050 6.050 7.029 0.000 0.000 0.000 3/36000 510.0 5.934 5.934 6.897 0.000 0.000 0.000 3/36000 520.0 5.822 5.822 6.770 0.000 0.000 0.000 3/36000 530.0 5.714 5.714 6.647 0.000 0.000 0.000 3/36000 540.0 5.610 5.610 6.529 0.000 0.000 0.000 3/36000 550.0 5.510 5.510 6.415 0.000 0.000 0.000 3/36000 560.0 5.414 5.414 6.305 0.000 0.000 0.000 3/36000 570.0 5.321 5.321 6.199 0.000 0.000 0.000 3/36000 580.0 5.231 5.231 6.096 0.000 0.000 0.000 3/36000 590.0 5.144 5.144 5.996 0.000 0.000 0.000 3/36000 600.0 5.060 5.060 5.900 0.000 0.000 0.000 3/36000 610.0 4.978 4.978 5.807 0.000 0.000 0.000 3/36000 620.0 4.899 4.899 5.717 0.000 0.000 0.000 3/36000 630.0 4.823 4.823 5.629 0.000 0.000 0.000 3/36000 640.0 4.749 4.749 5.544 0.000 0.000 0.000 3/36000 650.0 4.677 4.677 5.462 0.000 0.000 0.000 3/36000 660.0 4.608 4.608 5.382 0.000 0.000 0.000 3/36000 670.0 4.540 4.540 5.304 0.000 0.000 0.000 3/36000 680.0 4.474 4.474 5.228 0.000 0.000 0.000 3/36000 690.0 4.411 4.411 5.155 0.000 0.000 0.000 3/36000 700.0 4.349 4.349 5.084 0.000 0.000 0.000 3/36000 710.0 4.288 4.288 5.014 0.000 0.000 0.000 3/36000 720.0 4.230 4.230 4.947 0.000 0.000 0.000 3/36000 730.0 4.173 4.173 4.881 0.000 0.000 0.000 3/36000 740.0 4.117 4.117 4.817 0.000 0.000 0.000 3/36000 750.0 4.063 4.063 4.754 0.000 0.000 0.000 3/36000 760.0 4.011 4.011 4.694 0.000 0.000 0.000 3/36000 770.0 3.959 3.959 4.634 0.000 0.000 0.000 3/36000 780.0 3.909 3.909 4.577 0.000 0.000 0.000 3/36000 790.0 3.861 3.861 4.520 0.000 0.000 0.000 3/36000 800.0 3.813 3.813 4.465 0.000 0.000 0.000 3/36000 810.0 3.767 3.767 4.411 0.000 0.000 0.000 3/36000 820.0 3.721 3.721 4.359 0.000 0.000 0.000 3/36000 830.0 3.677 3.677 4.308 0.000 0.000 0.000 3/36000 840.0 3.634 3.634 4.258 0.000 0.000 0.000 3/36000 850.0 3.592 3.592 4.209 0.000 0.000 0.000 3/36000 860.0 3.551 3.551 4.161 0.000 0.000 0.000 3/36000 870.0 3.510 3.510 4.114 0.000 0.000 0.000 3/36000 880.0 3.471 3.471 4.069 0.000 0.000 0.000 3/36000 890.0 3.433 3.433 4.024 0.000 0.000 0.000 3/36000 900.0 3.395 3.395 3.980 0.000 0.000 0.000 3/36000 910.0 3.358 3.358 3.937 0.000 0.000 0.000 3/36000 920.0 3.322 3.322 3.896 0.000 0.000 0.000 3/36000 930.0 3.287 3.287 3.855 0.000 0.000 0.000 3/36000 940.0 3.252 3.252 3.814 0.000 0.000 0.000 3/36000 950.0 3.218 3.218 3.775 0.000 0.000 0.000 3/36000 960.0 3.185 3.185 3.737 0.000 0.000 0.000 3/36000 970.0 3.153 3.153 3.699 0.000 0.000 0.000 3/36000 980.0 3.121 3.121 3.662 0.000 0.000 0.000 3/36000 990.0 3.090 3.090 3.626 0.000 0.000 0.000 3/36000 1000.0 3.059 3.059 3.590 0.000 0.000 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:44:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|