----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:53:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.804347209520407 1.041740347128155 6.530195533333327 b -1.804347209520403 1.041740347128155 6.530195533333327 c 0.000000000000002 -2.083480694256313 6.530195533333327 Atomic positions (fractional): *1 Li 0.09720410416713 0.09720410416713 0.09720410416713 6.941 2 Li 0.90279589583287 0.90279589583287 0.90279589583287 6.941 *3 Li 0.34554266611150 0.34554266611150 0.34554266611150 6.941 4 Li 0.65445733388850 0.65445733388850 0.65445733388850 6.941 *5 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 *6 Cl 0.50000000000000 0.50000000000000 0.50000000000000 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.608694419040811 0.000000000000000 0.000000000000000 b -1.804347209520405 3.125221041384468 0.000000000000000 c 0.000000000000000 0.000000000000000 19.590586600000002 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.09720410416713 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.23612922916620 6.941 > 2 *3 Li 0.33333333333333 0.66666666666667 0.01220933277816 6.941 > 3 4 Li 0.33333333333333 0.66666666666667 0.32112400055517 6.941 > 4 5 Li 0.66666666666667 0.33333333333333 0.43053743750047 6.941 > 1 6 Li 0.33333333333333 0.66666666666667 0.56946256249953 6.941 > 2 7 Li 0.00000000000000 0.00000000000000 0.34554266611150 6.941 > 3 8 Li 0.00000000000000 0.00000000000000 0.65445733388850 6.941 > 4 9 Li 0.33333333333333 0.66666666666667 0.76387077083380 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.90279589583287 6.941 > 2 11 Li 0.66666666666667 0.33333333333333 0.67887599944483 6.941 > 3 12 Li 0.66666666666667 0.33333333333333 0.98779066722184 6.941 > 4 *13 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 5 14 N 0.66666666666667 0.33333333333333 0.33333333333333 14.007 > 5 15 N 0.33333333333333 0.66666666666667 0.66666666666667 14.007 > 5 *16 Cl 0.33333333333333 0.66666666666667 0.16666666666667 35.453 > 6 17 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 6 18 Cl 0.66666666666667 0.33333333333333 0.83333333333333 35.453 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.217388838081622 0.000000000000000 0.000000000000000 b -3.608694419040810 6.250442082768936 0.000000000000000 c 0.000000000000000 0.000000000000000 19.590586600000002 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.09720410416713 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.09720410416713 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.09720410416713 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.09720410416713 6.941 > 1 5 Li 0.33333333333333 0.16666666666667 0.23612922916620 6.941 > 2 6 Li 0.83333333333333 0.16666666666667 0.23612922916620 6.941 > 2 7 Li 0.33333333333333 0.66666666666667 0.23612922916620 6.941 > 2 8 Li 0.83333333333333 0.66666666666667 0.23612922916620 6.941 > 2 *9 Li 0.16666666666667 0.33333333333333 0.01220933277816 6.941 > 3 10 Li 0.66666666666667 0.33333333333333 0.01220933277816 6.941 > 3 11 Li 0.16666666666667 0.83333333333333 0.01220933277816 6.941 > 3 12 Li 0.66666666666667 0.83333333333333 0.01220933277816 6.941 > 3 13 Li 0.16666666666667 0.33333333333333 0.32112400055517 6.941 > 4 14 Li 0.66666666666667 0.33333333333333 0.32112400055517 6.941 > 4 15 Li 0.16666666666667 0.83333333333333 0.32112400055517 6.941 > 4 16 Li 0.66666666666667 0.83333333333333 0.32112400055517 6.941 > 4 17 Li 0.33333333333333 0.16666666666667 0.43053743750047 6.941 > 1 18 Li 0.83333333333333 0.16666666666667 0.43053743750047 6.941 > 1 19 Li 0.33333333333333 0.66666666666667 0.43053743750047 6.941 > 1 20 Li 0.83333333333333 0.66666666666667 0.43053743750047 6.941 > 1 21 Li 0.16666666666667 0.33333333333333 0.56946256249953 6.941 > 2 22 Li 0.66666666666667 0.33333333333333 0.56946256249953 6.941 > 2 23 Li 0.16666666666667 0.83333333333333 0.56946256249953 6.941 > 2 24 Li 0.66666666666667 0.83333333333333 0.56946256249953 6.941 > 2 25 Li 0.00000000000000 0.00000000000000 0.34554266611150 6.941 > 3 26 Li 0.50000000000000 0.00000000000000 0.34554266611150 6.941 > 3 27 Li 0.00000000000000 0.50000000000000 0.34554266611150 6.941 > 3 28 Li 0.50000000000000 0.50000000000000 0.34554266611150 6.941 > 3 29 Li 0.00000000000000 0.00000000000000 0.65445733388850 6.941 > 4 30 Li 0.50000000000000 0.00000000000000 0.65445733388850 6.941 > 4 31 Li 0.00000000000000 0.50000000000000 0.65445733388850 6.941 > 4 32 Li 0.50000000000000 0.50000000000000 0.65445733388850 6.941 > 4 33 Li 0.16666666666667 0.33333333333333 0.76387077083380 6.941 > 1 34 Li 0.66666666666667 0.33333333333333 0.76387077083380 6.941 > 1 35 Li 0.16666666666667 0.83333333333333 0.76387077083380 6.941 > 1 36 Li 0.66666666666667 0.83333333333333 0.76387077083380 6.941 > 1 37 Li 0.00000000000000 0.00000000000000 0.90279589583287 6.941 > 2 38 Li 0.50000000000000 0.00000000000000 0.90279589583287 6.941 > 2 39 Li 0.00000000000000 0.50000000000000 0.90279589583287 6.941 > 2 40 Li 0.50000000000000 0.50000000000000 0.90279589583287 6.941 > 2 41 Li 0.33333333333333 0.16666666666667 0.67887599944483 6.941 > 3 42 Li 0.83333333333333 0.16666666666667 0.67887599944483 6.941 > 3 43 Li 0.33333333333333 0.66666666666667 0.67887599944483 6.941 > 3 44 Li 0.83333333333333 0.66666666666667 0.67887599944483 6.941 > 3 45 Li 0.33333333333333 0.16666666666667 0.98779066722184 6.941 > 4 46 Li 0.83333333333333 0.16666666666667 0.98779066722184 6.941 > 4 47 Li 0.33333333333333 0.66666666666667 0.98779066722184 6.941 > 4 48 Li 0.83333333333333 0.66666666666667 0.98779066722184 6.941 > 4 *49 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 5 50 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 > 5 51 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 > 5 52 N 0.50000000000000 0.50000000000000 0.00000000000000 14.007 > 5 53 N 0.33333333333333 0.16666666666667 0.33333333333333 14.007 > 5 54 N 0.83333333333333 0.16666666666667 0.33333333333333 14.007 > 5 55 N 0.33333333333333 0.66666666666667 0.33333333333333 14.007 > 5 56 N 0.83333333333333 0.66666666666667 0.33333333333333 14.007 > 5 57 N 0.16666666666667 0.33333333333333 0.66666666666667 14.007 > 5 58 N 0.66666666666667 0.33333333333333 0.66666666666667 14.007 > 5 59 N 0.16666666666667 0.83333333333333 0.66666666666667 14.007 > 5 60 N 0.66666666666667 0.83333333333333 0.66666666666667 14.007 > 5 *61 Cl 0.16666666666667 0.33333333333333 0.16666666666667 35.453 > 6 62 Cl 0.66666666666667 0.33333333333333 0.16666666666667 35.453 > 6 63 Cl 0.16666666666667 0.83333333333333 0.16666666666667 35.453 > 6 64 Cl 0.66666666666667 0.83333333333333 0.16666666666667 35.453 > 6 65 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 6 66 Cl 0.50000000000000 0.00000000000000 0.50000000000000 35.453 > 6 67 Cl 0.00000000000000 0.50000000000000 0.50000000000000 35.453 > 6 68 Cl 0.50000000000000 0.50000000000000 0.50000000000000 35.453 > 6 69 Cl 0.33333333333333 0.16666666666667 0.83333333333333 35.453 > 6 70 Cl 0.83333333333333 0.16666666666667 0.83333333333333 35.453 > 6 71 Cl 0.33333333333333 0.66666666666667 0.83333333333333 35.453 > 6 72 Cl 0.83333333333333 0.66666666666667 0.83333333333333 35.453 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1572766 0.0000000 0.0000000 0.0000000 4.1572766 0.0000000 0.0000000 0.0000000 4.0808758 -------------------------- Born effective charges -------------------------- 1 Li 1.0035294 0.0000000 0.0000000 0.0000000 1.0035294 0.0000000 0.0000000 0.0000000 1.1189555 2 Li 1.0035294 0.0000000 0.0000000 0.0000000 1.0035294 0.0000000 0.0000000 0.0000000 1.1189555 3 Li 0.8650022 0.0000000 0.0000000 0.0000000 0.8650022 0.0000000 0.0000000 0.0000000 0.5002231 4 Li 0.8650022 0.0000000 0.0000000 0.0000000 0.8650022 0.0000000 0.0000000 0.0000000 0.5002231 5 N -2.5993495 0.0000000 0.0000000 0.0000000 -2.5993495 0.0000000 0.0000000 0.0000000 -1.7570369 6 Cl -1.1377136 0.0000000 0.0000000 0.0000000 -1.1377136 0.0000000 0.0000000 0.0000000 -1.4813205 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 216/216 Permutation basis: 2664/2664 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 226 Number of blocks in projector: 248 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (226, 218), data: False |-- (56, 56), data: True |-- (68, 64), data: True |-- (102, 98), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 80 / 80 - Time: 0.074 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.078 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 216/216 Permutation basis: 2664/2664 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 226 Number of blocks in projector: 248 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (226, 218), data: False |-- (56, 56), data: True |-- (68, 64), data: True |-- (102, 98), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:53:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:53:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.804347209520407 1.041740347128155 6.530195533333327 b -1.804347209520403 1.041740347128155 6.530195533333327 c 0.000000000000002 -2.083480694256313 6.530195533333327 Atomic positions (fractional): 1 Li 0.09720410416713 0.09720410416713 0.09720410416713 6.941 2 Li 0.90279589583287 0.90279589583287 0.90279589583287 6.941 3 Li 0.34554266611150 0.34554266611150 0.34554266611150 6.941 4 Li 0.65445733388850 0.65445733388850 0.65445733388850 6.941 5 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 6 Cl 0.50000000000000 0.50000000000000 0.50000000000000 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.217388838081622 0.000000000000000 0.000000000000000 b -3.608694419040810 6.250442082768936 0.000000000000000 c 0.000000000000000 0.000000000000000 19.590586600000002 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.09720410416713 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.09720410416713 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.09720410416713 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.09720410416713 6.941 > 1 5 Li 0.33333333333333 0.16666666666667 0.23612922916620 6.941 > 5 6 Li 0.83333333333333 0.16666666666667 0.23612922916620 6.941 > 5 7 Li 0.33333333333333 0.66666666666667 0.23612922916620 6.941 > 5 8 Li 0.83333333333333 0.66666666666667 0.23612922916620 6.941 > 5 9 Li 0.16666666666667 0.33333333333333 0.01220933277816 6.941 > 9 10 Li 0.66666666666667 0.33333333333333 0.01220933277816 6.941 > 9 11 Li 0.16666666666667 0.83333333333333 0.01220933277816 6.941 > 9 12 Li 0.66666666666667 0.83333333333333 0.01220933277816 6.941 > 9 13 Li 0.16666666666667 0.33333333333333 0.32112400055517 6.941 > 13 14 Li 0.66666666666667 0.33333333333333 0.32112400055517 6.941 > 13 15 Li 0.16666666666667 0.83333333333333 0.32112400055517 6.941 > 13 16 Li 0.66666666666667 0.83333333333333 0.32112400055517 6.941 > 13 17 Li 0.33333333333333 0.16666666666667 0.43053743750047 6.941 > 1 18 Li 0.83333333333333 0.16666666666667 0.43053743750047 6.941 > 1 19 Li 0.33333333333333 0.66666666666667 0.43053743750047 6.941 > 1 20 Li 0.83333333333333 0.66666666666667 0.43053743750047 6.941 > 1 21 Li 0.16666666666667 0.33333333333333 0.56946256249953 6.941 > 5 22 Li 0.66666666666667 0.33333333333333 0.56946256249953 6.941 > 5 23 Li 0.16666666666667 0.83333333333333 0.56946256249953 6.941 > 5 24 Li 0.66666666666667 0.83333333333333 0.56946256249953 6.941 > 5 25 Li 0.00000000000000 0.00000000000000 0.34554266611150 6.941 > 9 26 Li 0.50000000000000 0.00000000000000 0.34554266611150 6.941 > 9 27 Li 0.00000000000000 0.50000000000000 0.34554266611150 6.941 > 9 28 Li 0.50000000000000 0.50000000000000 0.34554266611150 6.941 > 9 29 Li 0.00000000000000 0.00000000000000 0.65445733388850 6.941 > 13 30 Li 0.50000000000000 0.00000000000000 0.65445733388850 6.941 > 13 31 Li 0.00000000000000 0.50000000000000 0.65445733388850 6.941 > 13 32 Li 0.50000000000000 0.50000000000000 0.65445733388850 6.941 > 13 33 Li 0.16666666666667 0.33333333333333 0.76387077083380 6.941 > 1 34 Li 0.66666666666667 0.33333333333333 0.76387077083380 6.941 > 1 35 Li 0.16666666666667 0.83333333333333 0.76387077083380 6.941 > 1 36 Li 0.66666666666667 0.83333333333333 0.76387077083380 6.941 > 1 37 Li 0.00000000000000 0.00000000000000 0.90279589583287 6.941 > 5 38 Li 0.50000000000000 0.00000000000000 0.90279589583287 6.941 > 5 39 Li 0.00000000000000 0.50000000000000 0.90279589583287 6.941 > 5 40 Li 0.50000000000000 0.50000000000000 0.90279589583287 6.941 > 5 41 Li 0.33333333333333 0.16666666666667 0.67887599944483 6.941 > 9 42 Li 0.83333333333333 0.16666666666667 0.67887599944483 6.941 > 9 43 Li 0.33333333333333 0.66666666666667 0.67887599944483 6.941 > 9 44 Li 0.83333333333333 0.66666666666667 0.67887599944483 6.941 > 9 45 Li 0.33333333333333 0.16666666666667 0.98779066722184 6.941 > 13 46 Li 0.83333333333333 0.16666666666667 0.98779066722184 6.941 > 13 47 Li 0.33333333333333 0.66666666666667 0.98779066722184 6.941 > 13 48 Li 0.83333333333333 0.66666666666667 0.98779066722184 6.941 > 13 49 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 49 50 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 > 49 51 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 > 49 52 N 0.50000000000000 0.50000000000000 0.00000000000000 14.007 > 49 53 N 0.33333333333333 0.16666666666667 0.33333333333333 14.007 > 49 54 N 0.83333333333333 0.16666666666667 0.33333333333333 14.007 > 49 55 N 0.33333333333333 0.66666666666667 0.33333333333333 14.007 > 49 56 N 0.83333333333333 0.66666666666667 0.33333333333333 14.007 > 49 57 N 0.16666666666667 0.33333333333333 0.66666666666667 14.007 > 49 58 N 0.66666666666667 0.33333333333333 0.66666666666667 14.007 > 49 59 N 0.16666666666667 0.83333333333333 0.66666666666667 14.007 > 49 60 N 0.66666666666667 0.83333333333333 0.66666666666667 14.007 > 49 61 Cl 0.16666666666667 0.33333333333333 0.16666666666667 35.453 > 61 62 Cl 0.66666666666667 0.33333333333333 0.16666666666667 35.453 > 61 63 Cl 0.16666666666667 0.83333333333333 0.16666666666667 35.453 > 61 64 Cl 0.66666666666667 0.83333333333333 0.16666666666667 35.453 > 61 65 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 61 66 Cl 0.50000000000000 0.00000000000000 0.50000000000000 35.453 > 61 67 Cl 0.00000000000000 0.50000000000000 0.50000000000000 35.453 > 61 68 Cl 0.50000000000000 0.50000000000000 0.50000000000000 35.453 > 61 69 Cl 0.33333333333333 0.16666666666667 0.83333333333333 35.453 > 61 70 Cl 0.83333333333333 0.16666666666667 0.83333333333333 35.453 > 61 71 Cl 0.33333333333333 0.66666666666667 0.83333333333333 35.453 > 61 72 Cl 0.83333333333333 0.66666666666667 0.83333333333333 35.453 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1572766 0.0000000 0.0000000 0.0000000 4.1572766 0.0000000 0.0000000 0.0000000 4.0808758 -------------------------- Born effective charges -------------------------- 1 Li 1.0035294 0.0000000 0.0000000 0.0000000 1.0035294 0.0000000 0.0000000 0.0000000 1.1189555 2 Li 1.0035294 0.0000000 0.0000000 0.0000000 1.0035294 0.0000000 0.0000000 0.0000000 1.1189555 3 Li 0.8650022 0.0000000 0.0000000 0.0000000 0.8650022 0.0000000 0.0000000 0.0000000 0.5002231 4 Li 0.8650022 0.0000000 0.0000000 0.0000000 0.8650022 0.0000000 0.0000000 0.0000000 0.5002231 5 N -2.5993495 0.0000000 0.0000000 0.0000000 -2.5993495 0.0000000 0.0000000 0.0000000 -1.7570369 6 Cl -1.1377136 0.0000000 0.0000000 0.0000000 -1.1377136 0.0000000 0.0000000 0.0000000 -1.4813205 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:53:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:53:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.804347209520407 1.041740347128155 6.530195533333327 b -1.804347209520403 1.041740347128155 6.530195533333327 c 0.000000000000002 -2.083480694256313 6.530195533333327 Atomic positions (fractional): 1 Li 0.09720410416713 0.09720410416713 0.09720410416713 6.941 2 Li 0.90279589583287 0.90279589583287 0.90279589583287 6.941 3 Li 0.34554266611150 0.34554266611150 0.34554266611150 6.941 4 Li 0.65445733388850 0.65445733388850 0.65445733388850 6.941 5 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 6 Cl 0.50000000000000 0.50000000000000 0.50000000000000 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.217388838081622 0.000000000000000 0.000000000000000 b -3.608694419040810 6.250442082768936 0.000000000000000 c 0.000000000000000 0.000000000000000 19.590586600000002 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.09720410416713 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.09720410416713 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.09720410416713 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.09720410416713 6.941 > 1 5 Li 0.33333333333333 0.16666666666667 0.23612922916620 6.941 > 5 6 Li 0.83333333333333 0.16666666666667 0.23612922916620 6.941 > 5 7 Li 0.33333333333333 0.66666666666667 0.23612922916620 6.941 > 5 8 Li 0.83333333333333 0.66666666666667 0.23612922916620 6.941 > 5 9 Li 0.16666666666667 0.33333333333333 0.01220933277816 6.941 > 9 10 Li 0.66666666666667 0.33333333333333 0.01220933277816 6.941 > 9 11 Li 0.16666666666667 0.83333333333333 0.01220933277816 6.941 > 9 12 Li 0.66666666666667 0.83333333333333 0.01220933277816 6.941 > 9 13 Li 0.16666666666667 0.33333333333333 0.32112400055517 6.941 > 13 14 Li 0.66666666666667 0.33333333333333 0.32112400055517 6.941 > 13 15 Li 0.16666666666667 0.83333333333333 0.32112400055517 6.941 > 13 16 Li 0.66666666666667 0.83333333333333 0.32112400055517 6.941 > 13 17 Li 0.33333333333333 0.16666666666667 0.43053743750047 6.941 > 1 18 Li 0.83333333333333 0.16666666666667 0.43053743750047 6.941 > 1 19 Li 0.33333333333333 0.66666666666667 0.43053743750047 6.941 > 1 20 Li 0.83333333333333 0.66666666666667 0.43053743750047 6.941 > 1 21 Li 0.16666666666667 0.33333333333333 0.56946256249953 6.941 > 5 22 Li 0.66666666666667 0.33333333333333 0.56946256249953 6.941 > 5 23 Li 0.16666666666667 0.83333333333333 0.56946256249953 6.941 > 5 24 Li 0.66666666666667 0.83333333333333 0.56946256249953 6.941 > 5 25 Li 0.00000000000000 0.00000000000000 0.34554266611150 6.941 > 9 26 Li 0.50000000000000 0.00000000000000 0.34554266611150 6.941 > 9 27 Li 0.00000000000000 0.50000000000000 0.34554266611150 6.941 > 9 28 Li 0.50000000000000 0.50000000000000 0.34554266611150 6.941 > 9 29 Li 0.00000000000000 0.00000000000000 0.65445733388850 6.941 > 13 30 Li 0.50000000000000 0.00000000000000 0.65445733388850 6.941 > 13 31 Li 0.00000000000000 0.50000000000000 0.65445733388850 6.941 > 13 32 Li 0.50000000000000 0.50000000000000 0.65445733388850 6.941 > 13 33 Li 0.16666666666667 0.33333333333333 0.76387077083380 6.941 > 1 34 Li 0.66666666666667 0.33333333333333 0.76387077083380 6.941 > 1 35 Li 0.16666666666667 0.83333333333333 0.76387077083380 6.941 > 1 36 Li 0.66666666666667 0.83333333333333 0.76387077083380 6.941 > 1 37 Li 0.00000000000000 0.00000000000000 0.90279589583287 6.941 > 5 38 Li 0.50000000000000 0.00000000000000 0.90279589583287 6.941 > 5 39 Li 0.00000000000000 0.50000000000000 0.90279589583287 6.941 > 5 40 Li 0.50000000000000 0.50000000000000 0.90279589583287 6.941 > 5 41 Li 0.33333333333333 0.16666666666667 0.67887599944483 6.941 > 9 42 Li 0.83333333333333 0.16666666666667 0.67887599944483 6.941 > 9 43 Li 0.33333333333333 0.66666666666667 0.67887599944483 6.941 > 9 44 Li 0.83333333333333 0.66666666666667 0.67887599944483 6.941 > 9 45 Li 0.33333333333333 0.16666666666667 0.98779066722184 6.941 > 13 46 Li 0.83333333333333 0.16666666666667 0.98779066722184 6.941 > 13 47 Li 0.33333333333333 0.66666666666667 0.98779066722184 6.941 > 13 48 Li 0.83333333333333 0.66666666666667 0.98779066722184 6.941 > 13 49 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 49 50 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 > 49 51 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 > 49 52 N 0.50000000000000 0.50000000000000 0.00000000000000 14.007 > 49 53 N 0.33333333333333 0.16666666666667 0.33333333333333 14.007 > 49 54 N 0.83333333333333 0.16666666666667 0.33333333333333 14.007 > 49 55 N 0.33333333333333 0.66666666666667 0.33333333333333 14.007 > 49 56 N 0.83333333333333 0.66666666666667 0.33333333333333 14.007 > 49 57 N 0.16666666666667 0.33333333333333 0.66666666666667 14.007 > 49 58 N 0.66666666666667 0.33333333333333 0.66666666666667 14.007 > 49 59 N 0.16666666666667 0.83333333333333 0.66666666666667 14.007 > 49 60 N 0.66666666666667 0.83333333333333 0.66666666666667 14.007 > 49 61 Cl 0.16666666666667 0.33333333333333 0.16666666666667 35.453 > 61 62 Cl 0.66666666666667 0.33333333333333 0.16666666666667 35.453 > 61 63 Cl 0.16666666666667 0.83333333333333 0.16666666666667 35.453 > 61 64 Cl 0.66666666666667 0.83333333333333 0.16666666666667 35.453 > 61 65 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 61 66 Cl 0.50000000000000 0.00000000000000 0.50000000000000 35.453 > 61 67 Cl 0.00000000000000 0.50000000000000 0.50000000000000 35.453 > 61 68 Cl 0.50000000000000 0.50000000000000 0.50000000000000 35.453 > 61 69 Cl 0.33333333333333 0.16666666666667 0.83333333333333 35.453 > 61 70 Cl 0.83333333333333 0.16666666666667 0.83333333333333 35.453 > 61 71 Cl 0.33333333333333 0.66666666666667 0.83333333333333 35.453 > 61 72 Cl 0.83333333333333 0.66666666666667 0.83333333333333 35.453 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1572766 0.0000000 0.0000000 0.0000000 4.1572766 0.0000000 0.0000000 0.0000000 4.0808758 -------------------------- Born effective charges -------------------------- 1 Li 1.0035294 0.0000000 0.0000000 0.0000000 1.0035294 0.0000000 0.0000000 0.0000000 1.1189555 2 Li 1.0035294 0.0000000 0.0000000 0.0000000 1.0035294 0.0000000 0.0000000 0.0000000 1.1189555 3 Li 0.8650022 0.0000000 0.0000000 0.0000000 0.8650022 0.0000000 0.0000000 0.0000000 0.5002231 4 Li 0.8650022 0.0000000 0.0000000 0.0000000 0.8650022 0.0000000 0.0000000 0.0000000 0.5002231 5 N -2.5993495 0.0000000 0.0000000 0.0000000 -2.5993495 0.0000000 0.0000000 0.0000000 -1.7570369 6 Cl -1.1377136 0.0000000 0.0000000 0.0000000 -1.1377136 0.0000000 0.0000000 0.0000000 -1.4813205 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 16 ] 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: 0.99, Number of G-points: 313, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 417 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 4.194 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 8.694 ( 0.000 0.000 0.000) 0.000 8.694 ( 0.000 0.000 0.000) 0.000 12.624 ( 0.000 0.000 0.000) 0.000 12.624 ( 0.000 0.000 0.000) 0.000 14.053 ( 0.000 0.000 0.000) 0.000 17.171 ( 0.000 0.000 0.000) 0.000 17.821 ( 0.000 0.000 0.000) 0.000 17.821 ( 0.000 0.000 0.000) 0.000 18.685 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 35.686 20.604 9.057) 42.191 0.905 ( 37.228 21.494 6.627) 43.495 1.500 ( 60.484 34.920 5.931) 70.092 4.293 ( 8.829 5.097 -2.622) 10.527 4.501 ( 21.328 12.314 -2.323) 24.737 5.058 ( -6.145 -3.548 5.692) 9.096 6.931 ( -5.377 -3.104 0.056) 6.209 8.064 ( -4.256 -2.457 6.802) 8.392 8.111 ( 0.746 0.430 -1.977) 2.157 8.761 ( 6.058 3.498 -5.088) 8.650 10.297 ( 12.407 7.163 -6.638) 15.790 12.542 ( -6.988 -4.035 0.058) 8.070 14.004 ( -4.169 -2.407 -0.102) 4.815 16.268 ( -1.821 -1.051 -104.945) 104.966 17.233 ( 1.506 0.869 -5.396) 5.669 17.869 ( 3.957 2.285 0.097) 4.571 17.894 ( 8.325 4.806 -7.704) 12.319 18.827 ( -13.388 -7.730 88.284) 89.628 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 34.717 20.044 7.455) 40.775 1.739 ( 32.701 18.880 7.207) 38.442 2.762 ( 46.650 26.933 4.222) 54.032 4.575 ( 16.466 9.507 -5.334) 19.747 4.869 ( -9.436 -5.448 -0.900) 10.933 5.196 ( 36.389 21.009 -4.257) 42.233 6.811 ( -3.322 -1.918 1.311) 4.053 7.977 ( -5.264 -3.039 10.184) 11.860 8.138 ( 2.247 1.297 -0.834) 2.726 8.918 ( 8.715 5.031 -6.738) 12.111 10.649 ( 18.643 10.763 -3.532) 21.814 12.313 ( -12.533 -7.236 0.097) 14.473 13.859 ( -8.479 -4.895 0.290) 9.795 15.856 ( -11.257 -6.499 -51.030) 52.659 17.117 ( -9.779 -5.646 -2.711) 11.613 17.996 ( 6.793 3.922 0.186) 7.846 18.143 ( 13.712 7.917 -6.872) 17.261 18.788 ( -8.355 -4.824 44.902) 45.927 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 26.199 15.126 7.554) 31.181 2.494 ( 31.904 18.420 4.832) 37.155 3.687 ( 33.373 19.268 0.622) 38.541 4.606 ( -11.627 -6.713 -3.268) 13.818 5.004 ( 22.082 12.749 -7.722) 26.642 5.949 ( 21.673 12.513 -2.514) 25.151 6.954 ( 20.984 12.115 -1.469) 24.274 7.895 ( -4.768 -2.753 11.484) 12.735 8.228 ( 5.616 3.242 5.561) 8.543 9.108 ( 9.322 5.382 -6.380) 12.513 11.103 ( 21.283 12.288 -4.621) 25.006 11.980 ( -15.910 -9.186 0.088) 18.371 13.616 ( -12.674 -7.317 0.927) 14.664 15.450 ( -11.691 -6.750 -34.906) 37.425 16.806 ( -15.730 -9.081 -2.702) 18.363 18.171 ( 8.073 4.661 0.253) 9.325 18.424 ( 10.971 6.334 -2.377) 12.890 18.735 ( -6.006 -3.468 28.433) 29.267 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 19.285 11.134 7.054) 23.359 3.165 ( 23.640 13.648 2.442) 27.406 4.202 ( 4.099 2.367 -22.355) 22.851 4.497 ( 12.533 7.236 16.932) 22.274 5.527 ( 25.076 14.478 -9.012) 30.325 6.149 ( 1.142 0.659 2.433) 2.767 7.649 ( 31.659 18.278 -12.473) 38.626 7.830 ( -4.081 -2.356 11.278) 12.222 8.504 ( 17.626 10.176 16.866) 26.433 9.298 ( 8.528 4.923 -4.814) 10.961 11.585 ( 21.881 12.633 -7.345) 26.312 11.596 ( -16.965 -9.795 -0.047) 19.590 13.283 ( -16.385 -9.460 2.046) 19.031 15.107 ( -9.258 -5.345 -26.297) 28.386 16.397 ( -18.574 -10.724 -2.489) 21.591 18.360 ( 7.962 4.597 0.284) 9.198 18.580 ( 0.105 0.061 10.664) 10.665 18.734 ( 2.009 1.160 8.746) 9.048 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( 13.191 7.616 5.658) 16.249 3.462 ( -0.378 -0.218 0.001) 0.436 4.217 ( 11.217 6.476 -17.545) 21.808 4.968 ( 18.155 10.482 12.668) 24.494 6.084 ( 25.216 14.558 -8.808) 30.420 6.144 ( -1.521 -0.878 2.513) 3.066 7.773 ( -3.812 -2.201 9.578) 10.542 8.150 ( 16.397 9.467 -4.780) 19.527 9.150 ( 30.319 17.504 11.919) 36.982 9.460 ( 6.190 3.574 -2.325) 7.516 11.215 ( -15.545 -8.975 -0.450) 17.956 12.051 ( 20.595 11.891 -12.172) 26.715 12.885 ( -18.562 -10.717 5.451) 22.116 14.865 ( -5.253 -3.033 -19.004) 19.948 15.950 ( -19.032 -10.988 -2.119) 22.078 18.533 ( 6.811 3.932 0.271) 7.870 18.559 ( -3.689 -2.130 13.228) 13.897 18.825 ( 3.075 1.775 0.892) 3.661 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( -9.154 -5.285 -2.593) 10.884 3.647 ( 8.177 4.721 3.809) 10.181 4.514 ( 15.028 8.676 -11.494) 20.814 5.366 ( 12.855 7.422 9.707) 17.736 6.106 ( -2.139 -1.235 0.905) 2.631 6.616 ( 22.668 13.087 -7.270) 27.166 7.707 ( -4.432 -2.559 6.750) 8.470 8.479 ( 12.535 7.237 5.986) 15.663 9.558 ( 2.418 1.396 0.429) 2.825 9.826 ( 24.786 14.310 1.682) 28.670 10.897 ( -11.346 -6.551 -1.110) 13.148 12.295 ( -5.124 -2.958 -20.037) 20.892 12.630 ( 4.079 2.355 13.863) 14.642 14.742 ( -1.432 -0.827 -11.603) 11.720 15.525 ( -16.698 -9.641 -1.887) 19.373 18.519 ( -2.728 -1.575 9.031) 9.564 18.670 ( 4.935 2.849 0.212) 5.702 18.867 ( 0.623 0.360 0.249) 0.762 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( -5.986 -3.456 -1.759) 7.133 3.794 ( 3.916 2.261 1.884) 4.899 4.768 ( 8.801 5.081 -5.942) 11.773 5.610 ( 6.111 3.528 5.002) 8.650 6.063 ( -1.424 -0.822 0.142) 1.650 7.067 ( 17.683 10.209 -4.957) 21.011 7.599 ( -6.708 -3.873 4.026) 8.730 8.753 ( 8.420 4.861 7.740) 12.428 9.578 ( -0.588 -0.340 1.617) 1.754 10.276 ( 14.206 8.202 -3.572) 16.788 10.699 ( -5.358 -3.094 -1.209) 6.304 11.969 ( -12.752 -7.363 -4.604) 15.428 12.894 ( 10.296 5.944 1.660) 12.004 14.704 ( -0.183 -0.105 -4.772) 4.777 15.200 ( -10.118 -5.842 -1.620) 11.795 18.493 ( -1.370 -0.791 4.526) 4.795 18.758 ( 2.586 1.493 0.116) 2.989 18.867 ( -0.414 -0.239 0.083) 0.485 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 0.000 0.000 -0.000) 0.000 3.842 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 5.685 ( 0.000 0.000 -0.000) 0.000 6.047 ( 0.000 0.000 -0.000) 0.000 7.358 ( 0.000 0.000 -0.000) 0.000 7.437 ( -0.000 -0.000 0.000) 0.000 8.871 ( 0.000 0.000 0.000) 0.000 9.568 ( 0.000 0.000 0.000) 0.000 10.440 ( 0.000 0.000 -0.000) 0.000 10.637 ( 0.000 0.000 0.000) 0.000 11.798 ( 0.000 0.000 0.000) 0.000 13.025 ( 0.000 0.000 0.000) 0.000 14.692 ( -0.000 -0.000 0.000) 0.000 15.078 ( 0.000 0.000 -0.000) 0.000 18.484 ( 0.000 0.000 0.000) 0.000 18.789 ( 0.000 0.000 0.000) 0.000 18.860 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.000 38.400 8.007) 39.226 0.923 ( 0.000 41.386 10.246) 42.636 1.565 ( 0.000 68.718 18.531) 71.173 4.295 ( -0.000 10.749 -2.110) 10.955 4.491 ( -0.000 25.087 -4.550) 25.496 5.098 ( 0.000 -10.230 13.004) 16.545 6.928 ( -0.000 -6.507 -0.615) 6.536 8.000 ( -0.000 -6.714 -6.307) 9.211 8.142 ( 0.000 1.897 4.440) 4.828 8.812 ( 0.000 8.138 5.347) 9.738 10.253 ( -0.000 17.598 -15.629) 23.537 12.541 ( -0.000 -8.087 0.015) 8.087 14.009 ( 0.000 -4.509 0.799) 4.579 15.845 ( -0.000 31.481 -152.687) 155.898 17.221 ( -0.000 2.767 -4.393) 5.192 17.867 ( 0.000 4.522 -0.141) 4.525 17.870 ( -0.000 7.766 -4.902) 9.184 19.142 ( 0.000 -37.001 108.147) 114.302 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 20.941 29.876 7.500) 37.247 1.595 ( 22.472 34.728 7.281) 42.000 2.515 ( 25.750 50.653 14.438) 58.628 4.470 ( 6.387 14.255 -4.047) 16.136 4.936 ( 10.267 11.716 -4.672) 16.263 4.987 ( 3.257 15.764 2.076) 16.231 6.828 ( -2.500 -6.131 -0.289) 6.628 7.980 ( 6.150 -7.713 -3.657) 10.521 8.124 ( -5.018 1.887 8.529) 10.074 8.922 ( 1.193 11.857 -0.403) 11.924 10.506 ( 11.192 17.785 -8.054) 22.504 12.381 ( -6.698 -11.695 0.067) 13.478 13.920 ( -4.312 -6.415 1.413) 7.858 15.685 ( 0.707 1.868 -82.228) 82.252 17.190 ( -3.485 -4.108 -3.200) 6.266 17.836 ( 0.649 0.047 0.022) 0.651 18.124 ( 9.843 16.439 -5.700) 19.991 19.020 ( -8.700 -18.053 61.213) 64.410 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 25.890 21.514 5.621) 34.128 2.345 ( 23.390 30.246 5.041) 38.566 3.416 ( 25.570 31.018 7.963) 40.980 4.626 ( -2.372 -5.987 -1.164) 6.544 4.910 ( 6.294 16.917 -7.554) 19.567 5.721 ( 24.704 30.350 -4.203) 39.358 6.811 ( 6.784 4.191 -0.655) 8.001 7.981 ( -0.928 -3.950 6.940) 8.039 8.138 ( 4.297 0.435 7.200) 8.396 9.084 ( 3.361 13.292 -4.306) 14.371 10.903 ( 16.224 17.380 -6.669) 24.693 12.094 ( -11.009 -14.202 0.163) 17.971 13.738 ( -9.113 -7.881 2.127) 12.235 15.400 ( -5.679 -5.488 -50.794) 51.404 16.979 ( -12.823 -6.831 -2.831) 14.802 17.903 ( 10.297 -6.685 0.221) 12.279 18.447 ( 7.651 18.255 -2.328) 19.930 18.902 ( -6.960 -9.715 36.947) 38.832 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 22.665 14.838 4.637) 27.484 3.022 ( 20.001 26.323 2.244) 33.135 4.010 ( 14.176 9.183 -10.408) 19.840 4.492 ( -0.059 0.740 11.773) 11.796 5.317 ( 16.692 22.290 -9.851) 29.538 6.128 ( 4.388 4.320 1.055) 6.247 7.292 ( 28.433 24.585 -9.919) 38.875 7.936 ( -4.570 -0.547 11.489) 12.376 8.350 ( 14.711 4.692 14.387) 21.105 9.265 ( 4.069 12.659 -5.066) 14.229 11.349 ( 17.957 15.768 -9.183) 25.601 11.741 ( -12.588 -13.484 0.487) 18.453 13.462 ( -13.730 -9.472 3.525) 17.049 15.091 ( -6.813 -5.858 -35.551) 36.669 16.621 ( -18.302 -7.980 -2.601) 20.135 18.034 ( 14.821 -11.933 0.291) 19.030 18.674 ( -0.518 5.231 11.945) 13.051 18.860 ( -1.652 6.389 12.377) 14.026 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 15.703 9.478 3.782) 18.728 3.485 ( 5.043 11.204 1.834) 12.422 4.058 ( 7.154 3.179 -21.422) 22.808 4.829 ( 15.462 12.668 17.847) 26.796 5.811 ( 18.853 17.749 -9.212) 27.483 6.169 ( 1.064 0.282 2.138) 2.404 7.874 ( -1.041 2.204 9.984) 10.278 7.928 ( 16.616 14.146 -7.964) 23.230 8.875 ( 26.456 16.129 15.873) 34.814 9.433 ( 3.488 9.998 -3.944) 11.300 11.348 ( -12.106 -12.647 -1.443) 17.567 11.832 ( 17.328 17.131 -11.657) 27.012 13.105 ( -17.036 -10.910 6.688) 21.307 14.840 ( -4.545 -4.380 -25.322) 26.097 16.190 ( -20.475 -8.633 -2.164) 22.326 18.164 ( 16.199 -16.586 0.321) 23.186 18.644 ( -4.268 -5.167 16.708) 18.002 19.013 ( -1.383 18.617 0.586) 18.678 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( -6.092 -7.729 -2.002) 10.043 3.576 ( 7.441 7.165 2.237) 10.569 4.352 ( 14.939 17.174 -15.324) 27.440 5.247 ( 13.533 8.745 14.041) 21.372 6.050 ( 3.384 -5.376 0.436) 6.367 6.416 ( 16.970 18.820 -6.999) 26.290 7.812 ( -6.306 -0.362 8.819) 10.848 8.345 ( 15.076 11.111 3.126) 18.987 9.509 ( 11.343 7.228 2.951) 13.770 9.586 ( 15.921 13.983 -0.499) 21.195 11.035 ( -11.423 -6.561 -1.471) 13.255 12.208 ( 9.834 12.055 -19.787) 25.171 12.756 ( -12.060 -6.664 15.549) 20.776 14.693 ( -0.561 -2.631 -16.587) 16.804 15.743 ( -19.844 -8.637 -1.781) 21.716 18.258 ( 16.115 -20.965 0.337) 26.445 18.573 ( -3.200 -4.591 11.297) 12.607 19.149 ( -5.408 19.948 0.230) 20.669 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( -5.876 -8.662 -2.226) 10.701 3.755 ( 4.741 4.744 1.417) 6.855 4.697 ( 9.514 15.540 -10.045) 20.806 5.539 ( 8.164 3.835 8.931) 12.693 6.028 ( 1.730 -5.493 0.552) 5.785 6.876 ( 16.971 15.327 -5.287) 23.471 7.709 ( -7.201 -1.408 5.101) 8.936 8.691 ( 10.056 9.191 9.057) 16.360 9.547 ( 0.290 -4.222 1.878) 4.630 10.090 ( 18.117 13.755 -8.142) 24.160 10.830 ( -9.131 2.240 -2.076) 9.629 12.095 ( -12.689 -8.108 -4.870) 15.826 12.850 ( 7.802 12.610 6.195) 16.071 14.654 ( 2.486 -1.368 -8.886) 9.328 15.342 ( -15.469 -7.711 -1.586) 17.357 18.305 ( 15.577 -24.352 0.342) 28.910 18.517 ( -1.837 -3.516 6.164) 7.330 19.229 ( -8.685 20.597 0.244) 22.354 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( -0.434 -5.897 -0.617) 5.945 3.842 ( 0.876 2.381 0.381) 2.565 4.907 ( 1.541 11.175 -4.132) 12.013 5.658 ( 2.467 -1.444 3.086) 4.207 6.019 ( 1.688 -2.902 0.327) 3.373 7.238 ( 11.813 6.700 -1.899) 13.713 7.570 ( -8.893 0.634 1.909) 9.118 8.890 ( 1.338 4.503 4.288) 6.360 9.499 ( 1.789 -8.135 1.553) 8.472 10.414 ( 8.258 10.513 -11.486) 17.625 10.739 ( -6.914 7.856 -1.278) 10.543 11.823 ( -6.584 -7.913 6.841) 12.360 13.084 ( 1.132 11.515 1.632) 11.685 14.672 ( 2.099 -0.367 -2.721) 3.456 15.085 ( -5.059 -4.910 -1.179) 7.148 18.319 ( 15.243 -26.053 0.254) 30.186 18.478 ( -0.494 -2.549 1.565) 3.032 19.266 ( -10.937 20.608 0.218) 23.331 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 5.986 -2.242 1.119) 6.490 3.837 ( -3.093 0.567 -0.601) 3.202 4.937 ( -7.703 6.077 1.950) 10.003 5.632 ( -2.280 -4.529 -2.210) 5.531 6.018 ( 1.613 -3.099 0.015) 3.494 7.251 ( -9.339 -7.994 0.859) 12.323 7.563 ( 1.754 9.405 0.485) 9.580 8.844 ( -7.919 -0.872 -5.123) 9.472 9.484 ( 5.339 -6.614 -1.556) 8.641 10.448 ( -9.353 1.362 -4.296) 10.382 10.750 ( -2.563 10.711 0.864) 11.047 11.829 ( 9.618 0.168 8.207) 12.644 13.082 ( -11.379 4.598 1.188) 12.330 14.693 ( 1.342 -0.717 1.530) 2.158 15.092 ( 7.557 2.044 0.361) 7.837 18.318 ( 14.795 -26.257 0.040) 30.139 18.458 ( 0.816 -1.709 -2.565) 3.188 19.265 ( -12.460 19.738 0.156) 23.343 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( 10.864 0.902 2.341) 11.150 3.740 ( -7.495 -0.952 -1.632) 7.730 4.782 ( -15.869 1.429 7.386) 17.562 5.457 ( -9.243 -7.551 -7.780) 14.247 6.026 ( 3.661 -4.392 0.180) 5.720 6.920 ( -19.441 -7.575 3.504) 21.156 7.676 ( 1.903 6.078 -1.637) 6.576 8.608 ( -12.291 -4.480 -8.321) 15.504 9.526 ( 4.382 -2.697 -2.572) 5.752 10.123 ( -22.524 -7.756 -0.940) 23.840 10.850 ( 2.256 9.578 2.074) 10.056 12.159 ( 18.813 7.023 7.937) 21.592 12.819 ( -19.488 -1.654 0.037) 19.558 14.729 ( 3.023 -1.276 6.569) 7.343 15.356 ( 14.776 9.283 1.206) 17.492 18.303 ( 13.231 -25.689 -0.170) 28.897 18.456 ( 2.026 -0.887 -6.345) 6.719 19.229 ( -13.577 17.809 0.060) 22.394 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( 7.988 0.645 1.388) 8.133 3.554 ( -10.419 -1.080 -2.235) 10.710 4.484 ( -19.824 -2.799 11.028) 22.857 5.125 ( -15.189 -9.789 -10.348) 20.823 6.045 ( 3.362 -5.148 -0.422) 6.163 6.476 ( -24.410 -6.093 5.302) 25.711 7.744 ( 0.891 5.217 -5.180) 7.405 8.319 ( -12.240 -6.231 -2.106) 13.895 9.467 ( -19.812 -10.707 -5.769) 23.248 9.587 ( -15.340 -2.570 -0.356) 15.558 11.050 ( 10.746 6.975 1.572) 12.907 12.380 ( -22.358 -5.723 12.623) 26.305 12.638 ( 19.327 9.316 -5.832) 22.234 14.833 ( 6.366 0.601 12.102) 13.688 15.759 ( 17.724 12.667 1.484) 21.836 18.255 ( 10.116 -24.533 -0.297) 26.539 18.471 ( 3.206 -0.109 -9.740) 10.254 19.148 ( -14.677 14.712 -0.079) 20.781 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( -17.566 -7.580 -3.413) 19.434 3.465 ( -13.513 1.073 -2.645) 13.812 4.245 ( -3.303 -3.255 15.302) 15.989 4.681 ( -20.550 -10.020 -10.694) 25.240 5.886 ( -21.992 -7.366 6.205) 24.009 6.150 ( -3.054 -0.858 -1.702) 3.600 7.782 ( 0.479 3.839 -8.027) 8.911 8.025 ( -18.608 -7.345 11.246) 22.950 8.725 ( -31.670 -15.665 -15.377) 38.534 9.463 ( -9.142 2.101 2.248) 9.645 11.360 ( 16.995 4.905 1.028) 17.718 11.913 ( -24.674 -7.507 4.828) 26.239 13.070 ( 18.695 8.933 -0.219) 20.721 15.044 ( 10.608 3.049 16.452) 19.811 16.209 ( 18.078 13.258 1.746) 22.486 18.160 ( 6.325 -22.433 -0.411) 23.311 18.501 ( 4.118 0.435 -12.324) 13.001 19.009 ( -16.095 10.760 -0.399) 19.364 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -25.342 -10.812 -3.793) 27.812 2.992 ( -33.768 -2.909 -4.347) 34.170 4.092 ( -28.716 -11.776 4.880) 31.418 4.425 ( 12.094 0.812 -0.421) 12.128 5.394 ( -27.441 -3.832 6.040) 28.358 6.118 ( -4.093 -1.029 -1.130) 4.370 7.377 ( -40.138 -13.528 7.155) 42.957 7.841 ( 1.259 4.942 -7.968) 9.461 8.237 ( -6.475 -8.618 -8.911) 13.986 9.307 ( -11.965 1.946 3.544) 12.629 11.411 ( -23.787 -7.532 3.611) 25.211 11.737 ( 18.596 3.982 -0.385) 19.022 13.444 ( 15.293 6.662 -0.113) 16.682 15.359 ( 14.636 4.456 18.627) 24.105 16.642 ( 16.411 11.623 1.853) 20.196 18.030 ( 3.042 -18.924 -0.474) 19.172 18.538 ( 3.552 0.854 -12.131) 12.669 18.802 ( -17.002 6.519 -2.385) 18.364 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -32.962 -10.046 -3.332) 34.620 2.306 ( -39.591 -2.951 -3.465) 39.851 3.376 ( -42.186 -9.315 -0.082) 43.202 4.640 ( 7.955 -2.694 1.879) 8.606 4.963 ( -18.912 1.651 3.317) 19.272 5.751 ( -37.359 -6.708 1.862) 38.002 6.812 ( -8.832 -3.030 -0.633) 9.359 7.912 ( 3.917 4.653 -6.994) 9.269 8.107 ( -0.727 -6.182 0.687) 6.262 9.120 ( -12.531 1.266 3.214) 12.999 10.942 ( -23.088 -5.028 1.441) 23.673 12.093 ( 17.849 2.440 -0.074) 18.015 13.728 ( 11.593 3.435 -0.035) 12.091 15.747 ( 18.244 4.033 17.161) 25.369 17.000 ( 12.680 7.217 1.441) 14.661 17.900 ( 0.793 -12.331 -0.420) 12.364 18.487 ( -16.754 3.103 6.979) 18.413 18.612 ( 1.384 0.537 -20.476) 20.530 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -38.300 0.000 0.000) 38.300 1.561 ( -43.140 0.000 0.000) 43.140 2.444 ( -58.863 0.000 0.000) 58.863 4.490 ( -15.096 0.000 0.000) 15.096 4.952 ( 7.149 -0.000 -0.000) 7.149 4.983 ( -39.654 0.000 0.000) 39.654 6.830 ( 6.569 -0.000 -0.000) 6.569 8.010 ( 4.722 -0.000 -0.000) 4.722 8.071 ( 0.645 -0.000 -0.000) 0.645 8.924 ( -11.145 0.000 0.000) 11.145 10.545 ( -19.266 0.000 0.000) 19.266 12.381 ( 13.479 -0.000 -0.000) 13.479 13.913 ( 7.889 -0.000 -0.000) 7.889 16.150 ( 20.835 -0.000 -0.000) 20.835 17.209 ( 6.429 -0.000 -0.000) 6.429 17.835 ( -0.351 0.000 0.000) 0.351 18.185 ( -18.738 0.000 0.000) 18.738 18.629 ( 3.030 -0.000 -0.000) 3.030 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 35.542 1.321) 35.567 1.759 ( 0.000 35.416 9.129) 36.573 2.910 ( 0.000 52.501 17.579) 55.366 4.589 ( -0.000 20.262 -4.059) 20.665 4.900 ( 0.000 -6.041 1.211) 6.161 5.208 ( 0.000 39.889 -2.741) 39.983 6.780 ( -0.000 -5.558 -1.750) 5.827 7.824 ( -0.000 -6.214 -5.352) 8.202 8.231 ( 0.000 2.568 8.751) 9.120 9.027 ( 0.000 9.345 4.457) 10.353 10.590 ( -0.000 23.250 -9.829) 25.243 12.312 ( -0.000 -14.490 0.020) 14.490 13.883 ( 0.000 -9.095 2.761) 9.505 15.451 ( -0.000 3.570 -75.544) 75.628 17.126 ( -0.000 -10.183 -1.805) 10.342 17.992 ( 0.000 7.793 -0.190) 7.795 18.087 ( -0.000 16.091 -5.846) 17.120 19.067 ( 0.000 -21.773 52.719) 57.038 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 12.046 30.471 0.945) 32.779 2.294 ( 17.645 30.486 4.652) 35.530 3.508 ( 8.734 36.946 11.953) 39.802 4.689 ( -7.190 1.492 2.657) 7.809 4.937 ( 7.199 15.274 -5.562) 17.778 5.734 ( 11.946 37.566 -3.648) 39.588 6.771 ( 2.852 6.628 -3.222) 7.902 7.829 ( 7.758 -4.814 -0.940) 9.178 8.237 ( -4.789 2.571 11.975) 13.151 9.157 ( 2.643 10.702 0.645) 11.043 10.869 ( 7.857 23.007 -9.127) 25.969 12.093 ( -6.701 -16.653 0.121) 17.951 13.766 ( -3.465 -10.519 3.763) 11.697 15.242 ( -1.339 -1.993 -56.275) 56.326 16.996 ( -1.196 -13.509 -1.819) 13.683 17.889 ( -10.225 5.160 -0.492) 11.464 18.435 ( 13.077 16.511 -2.645) 21.227 18.981 ( -3.338 -16.439 37.771) 41.328 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 16.948 23.640 0.724) 29.096 2.932 ( 21.198 26.089 0.038) 33.615 3.920 ( 5.201 11.317 -4.137) 13.124 4.599 ( -4.071 6.501 15.082) 16.920 5.294 ( 11.099 25.041 -9.502) 28.992 6.104 ( 4.280 5.807 0.101) 7.215 7.138 ( 17.706 32.639 -10.323) 38.541 7.966 ( 7.271 0.342 7.343) 10.339 8.261 ( 2.637 3.814 15.815) 16.481 9.325 ( 3.552 11.911 -2.753) 12.731 11.235 ( 12.081 20.671 -10.956) 26.330 11.779 ( -9.312 -16.503 0.685) 18.961 13.570 ( -8.461 -11.054 5.190) 14.857 15.008 ( -3.891 -4.065 -41.051) 41.435 16.776 ( -8.874 -12.497 -2.046) 15.463 17.799 ( -0.840 -3.277 0.180) 3.387 18.743 ( 2.834 4.111 12.265) 13.242 18.929 ( 2.784 0.437 13.487) 13.778 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 14.802 17.297 0.383) 22.769 3.487 ( 12.748 16.852 0.077) 21.131 3.904 ( 2.154 -2.138 -18.044) 18.297 4.838 ( 7.055 16.433 21.576) 28.024 5.727 ( 12.770 24.339 -10.056) 29.268 6.132 ( 1.222 -3.935 2.075) 4.613 7.734 ( 18.407 24.242 -10.033) 32.049 8.024 ( -4.482 2.092 9.934) 11.097 8.652 ( 23.085 15.566 16.577) 32.404 9.484 ( 2.505 10.567 -3.784) 11.500 11.392 ( -7.870 -9.586 -4.088) 13.059 11.701 ( 13.239 15.564 -9.478) 22.524 13.287 ( -13.524 -11.145 7.960) 19.248 14.783 ( -3.976 -3.812 -29.631) 30.139 16.433 ( -16.546 -10.036 -1.737) 19.430 17.786 ( 7.526 -12.239 0.395) 14.373 18.703 ( -3.932 -8.886 18.727) 21.098 19.158 ( 5.269 16.130 -0.107) 16.969 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( -1.715 -3.703 -0.946) 4.189 3.561 ( 2.796 7.422 -2.028) 8.186 4.194 ( 18.817 18.607 -16.503) 31.188 5.199 ( 9.343 12.170 18.560) 24.081 5.981 ( 0.161 0.295 -0.488) 0.592 6.289 ( 15.631 14.926 -5.820) 22.382 7.961 ( -7.173 0.289 9.099) 11.590 8.214 ( 16.327 16.366 1.485) 23.165 9.305 ( 24.583 18.850 4.640) 31.324 9.576 ( 0.069 4.615 -2.765) 5.380 11.144 ( -8.563 -4.776 -1.457) 9.912 12.090 ( 13.793 16.227 -16.624) 27.017 12.962 ( -14.441 -8.422 13.876) 21.725 14.620 ( -1.398 -2.969 -20.298) 20.562 16.013 ( -20.247 -8.275 -1.197) 21.905 17.799 ( 11.711 -19.377 0.474) 22.646 18.606 ( -3.187 -7.645 12.658) 15.128 19.378 ( 0.783 17.012 0.003) 17.030 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( -6.735 -11.980 -2.281) 13.932 3.757 ( 3.994 11.156 -0.819) 11.877 4.628 ( 14.718 17.701 -13.389) 26.631 5.492 ( 6.768 6.803 13.421) 16.499 5.940 ( 0.668 -5.703 1.230) 5.872 6.728 ( 16.710 15.374 -4.347) 23.119 7.848 ( -7.915 -0.502 5.237) 9.504 8.640 ( 12.698 13.543 9.480) 20.845 9.536 ( -3.346 -4.081 1.745) 5.558 9.864 ( 20.641 14.602 -11.437) 27.751 11.014 ( -7.315 6.813 -1.648) 10.131 12.204 ( -7.349 -3.083 -6.928) 10.560 12.890 ( 3.940 10.504 10.052) 15.063 14.552 ( 2.572 -2.102 -12.424) 12.860 15.578 ( -20.135 -6.957 -0.759) 21.317 17.800 ( 13.591 -24.508 0.559) 28.029 18.524 ( -2.039 -6.087 7.309) 9.727 19.526 ( -3.353 17.222 0.202) 17.547 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( -1.964 -10.245 -0.974) 10.477 3.888 ( -0.142 8.989 -0.142) 8.991 4.954 ( 7.662 15.166 -8.666) 19.074 5.620 ( 0.965 -1.268 6.501) 6.694 5.938 ( 3.789 -3.391 1.280) 5.244 7.093 ( 12.053 5.719 0.867) 13.369 7.737 ( -6.878 4.379 0.014) 8.153 8.931 ( 3.821 8.077 6.750) 11.199 9.413 ( -2.329 -10.132 3.704) 11.037 10.272 ( 16.284 14.222 -20.029) 29.472 10.988 ( -8.427 14.604 -1.665) 16.943 11.922 ( -12.450 -11.415 11.494) 20.431 13.174 ( 6.195 15.699 1.368) 16.932 14.583 ( 5.564 -0.481 -6.015) 8.208 15.199 ( -15.122 -5.466 -0.527) 16.088 17.787 ( 14.874 -27.423 0.609) 31.203 18.461 ( -0.872 -4.710 2.803) 5.550 19.610 ( -6.733 17.031 0.266) 18.315 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 4.703 -6.914 0.517) 8.378 3.934 ( -4.037 7.396 0.584) 8.446 5.125 ( -2.168 11.968 -2.319) 12.382 5.589 ( -0.064 -6.556 0.695) 6.593 5.960 ( 1.222 -3.368 -0.145) 3.586 7.207 ( 2.341 -8.243 1.568) 8.711 7.736 ( -4.640 13.726 0.847) 14.514 8.963 ( -5.906 1.723 -2.933) 6.816 9.313 ( 2.806 -10.017 0.058) 10.403 10.550 ( 3.312 12.131 -15.485) 19.948 10.990 ( -8.510 17.104 -0.162) 19.105 11.728 ( -0.101 -9.859 17.376) 19.979 13.326 ( -5.512 10.043 0.695) 11.477 14.660 ( 2.686 0.082 -0.968) 2.856 15.013 ( 0.134 -0.083 -0.584) 0.605 17.778 ( 15.979 -28.010 0.537) 32.252 18.417 ( 0.249 -3.494 -0.930) 3.624 19.637 ( -9.382 16.129 0.254) 18.661 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( 11.014 -3.251 1.690) 11.607 3.898 ( -8.292 6.060 0.899) 10.310 5.096 ( -12.120 6.530 5.140) 14.695 5.481 ( -4.727 -7.119 -7.301) 11.239 5.925 ( 1.555 -5.826 0.255) 6.035 7.073 ( -6.852 -9.421 -0.771) 11.674 7.793 ( -5.029 11.212 5.314) 13.388 8.763 ( -12.738 -2.970 -10.226) 16.603 9.349 ( 9.657 -3.965 -3.051) 10.877 10.435 ( -18.387 0.147 -3.863) 18.789 11.032 ( -7.354 15.055 2.259) 16.907 11.894 ( 18.504 0.290 9.595) 20.846 13.178 ( -18.553 2.762 1.774) 18.842 14.671 ( 2.214 -2.721 2.788) 4.481 15.204 ( 13.339 9.564 -0.105) 16.414 17.784 ( 16.045 -26.732 0.308) 31.179 18.394 ( 1.304 -2.406 -3.866) 4.737 19.609 ( -11.478 14.298 0.190) 18.336 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( 14.266 -0.480 2.078) 14.424 3.768 ( -12.958 4.125 0.610) 13.612 4.876 ( -20.597 1.516 9.740) 22.834 5.222 ( -11.240 -8.775 -12.350) 18.864 5.929 ( 4.365 -4.263 0.437) 6.117 6.786 ( -16.405 -7.463 1.299) 18.070 7.827 ( -3.629 8.388 3.100) 9.651 8.457 ( -12.672 -5.486 -9.075) 16.524 9.487 ( 6.385 1.487 -3.570) 7.465 9.964 ( -29.356 -7.532 -0.515) 30.311 11.060 ( -2.707 8.966 2.820) 9.781 12.332 ( 23.387 6.213 3.745) 24.487 12.798 ( -25.226 -2.071 2.760) 25.461 14.740 ( 6.736 -1.502 6.159) 9.250 15.591 ( 17.010 13.221 0.457) 21.548 17.794 ( 14.240 -24.134 -0.017) 28.022 18.390 ( 2.272 -1.447 -5.865) 6.453 19.525 ( -13.284 11.514 0.091) 17.580 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( -0.842 -0.542 0.354) 1.062 3.577 ( -7.111 2.602 0.354) 7.580 4.498 ( -23.507 -2.213 7.561) 24.792 4.875 ( -15.146 -8.010 -8.404) 19.084 5.978 ( 3.440 -0.579 -0.158) 3.492 6.382 ( -22.189 -6.004 2.559) 23.129 7.845 ( -3.770 6.692 -2.002) 7.937 8.198 ( -8.412 -5.239 -0.193) 9.911 9.199 ( -38.833 -9.217 -5.932) 40.350 9.609 ( -3.241 2.098 0.533) 3.897 11.176 ( 8.163 4.223 1.719) 9.350 12.316 ( -26.986 -3.891 1.682) 27.317 12.801 ( 21.741 6.190 2.087) 22.702 14.913 ( 10.879 0.606 8.107) 13.581 16.033 ( 18.128 12.799 0.772) 22.205 17.791 ( 10.838 -19.882 -0.312) 22.647 18.406 ( 3.120 -0.665 -6.577) 7.310 19.377 ( -15.093 7.956 -0.016) 17.062 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( -23.786 -2.539 -0.828) 23.935 3.476 ( -19.649 1.175 -1.759) 19.762 4.257 ( 0.983 -2.433 7.483) 7.930 4.472 ( -21.973 -4.448 -5.601) 23.107 5.861 ( -25.551 0.265 3.154) 25.746 6.098 ( 2.181 -2.314 -1.486) 3.510 7.791 ( -8.076 0.303 -2.480) 8.454 8.055 ( -11.916 3.035 11.397) 16.766 8.356 ( -35.566 -10.778 -13.299) 39.471 9.529 ( -9.257 2.211 0.899) 9.559 11.433 ( 16.787 1.754 0.971) 16.906 11.816 ( -26.533 -3.360 0.765) 26.756 13.206 ( 18.545 3.742 0.464) 18.925 15.171 ( 14.586 1.448 6.798) 16.157 16.458 ( 17.705 8.536 0.750) 19.670 17.777 ( 6.831 -12.416 -0.396) 14.176 18.443 ( 3.727 -0.150 -5.180) 6.383 19.159 ( -17.046 3.969 -0.120) 17.502 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -29.828 0.000 0.000) 29.828 2.954 ( -36.180 0.000 0.000) 36.180 3.974 ( -31.674 0.000 0.000) 31.674 4.428 ( 13.455 -0.000 -0.000) 13.455 5.390 ( -27.111 0.000 0.000) 27.111 6.103 ( -5.126 0.000 0.000) 5.126 7.256 ( -42.885 0.000 0.000) 42.885 7.893 ( -1.618 0.000 0.000) 1.618 8.090 ( -1.205 0.000 0.000) 1.205 9.351 ( -12.285 0.000 0.000) 12.285 11.344 ( -25.539 0.000 0.000) 25.539 11.770 ( 19.859 -0.000 -0.000) 19.859 13.516 ( 14.990 -0.000 -0.000) 14.990 15.473 ( 17.585 -0.000 -0.000) 17.585 16.797 ( 15.771 -0.000 -0.000) 15.771 17.797 ( 3.325 -0.000 -0.000) 3.325 18.500 ( 4.003 -0.000 -0.000) 4.003 18.866 ( -18.935 0.000 0.000) 18.935 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -0.000 32.980 -5.748) 33.478 2.441 ( 0.000 27.414 7.304) 28.371 3.808 ( 0.000 26.489 5.729) 27.101 4.809 ( 0.000 -0.476 9.952) 9.964 5.033 ( -0.000 26.620 -6.110) 27.312 5.957 ( 0.000 23.248 -2.087) 23.342 6.881 ( -0.000 27.351 -6.337) 28.076 7.713 ( -0.000 -2.534 -0.311) 2.553 8.348 ( 0.000 1.899 13.542) 13.674 9.220 ( 0.000 7.754 1.286) 7.860 11.018 ( -0.000 25.031 -10.414) 27.111 11.980 ( -0.000 -18.269 0.064) 18.269 13.690 ( 0.000 -12.221 5.054) 13.225 15.070 ( -0.000 -0.866 -50.048) 50.056 16.828 ( -0.000 -17.839 -1.311) 17.887 18.165 ( 0.000 9.309 -0.131) 9.310 18.382 ( -0.000 15.237 -3.099) 15.549 18.946 ( 0.000 -17.485 32.554) 36.952 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 7.463 28.771 -4.155) 30.012 2.858 ( 14.752 23.830 1.615) 28.073 3.974 ( -1.328 5.825 -6.130) 8.560 4.847 ( -5.098 13.240 19.515) 24.127 5.358 ( 7.465 26.712 -8.254) 28.938 6.094 ( 1.597 2.225 -0.204) 2.746 7.285 ( 5.284 43.216 -11.429) 45.012 7.814 ( 11.542 3.513 5.286) 13.172 8.376 ( -3.358 2.500 17.164) 17.667 9.338 ( 4.666 7.301 -1.336) 8.767 11.274 ( 5.140 23.477 -12.132) 26.921 11.740 ( -5.646 -18.200 0.417) 19.060 13.565 ( -2.685 -12.118 6.786) 14.146 14.899 ( -1.966 -1.354 -40.161) 40.232 16.649 ( 1.193 -19.575 -1.384) 19.660 18.014 ( -17.698 7.053 -0.356) 19.055 18.718 ( 11.474 9.378 4.536) 15.498 18.875 ( 2.366 -10.631 19.528) 22.359 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 10.895 22.650 -2.343) 25.243 3.374 ( 18.513 18.588 -2.427) 26.346 3.862 ( -5.728 -4.175 -12.569) 14.430 5.034 ( -0.441 17.850 22.040) 28.365 5.749 ( 10.502 25.739 -9.765) 29.464 6.091 ( -0.753 -3.316 1.262) 3.627 7.717 ( 9.222 25.134 -7.863) 27.904 8.112 ( 3.611 7.994 5.197) 10.196 8.539 ( 12.543 15.768 17.189) 26.485 9.495 ( 5.304 6.591 -3.068) 8.999 11.422 ( -6.773 -8.362 -3.119) 11.204 11.621 ( 9.539 15.067 -10.687) 20.790 13.389 ( -7.613 -10.570 9.492) 16.118 14.722 ( -3.444 -1.680 -30.612) 30.851 16.449 ( -2.196 -18.778 -1.271) 18.949 17.775 ( -13.381 0.367 0.171) 13.388 18.718 ( -2.783 -11.866 18.768) 22.379 19.148 ( 12.470 12.904 -0.569) 17.954 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.354 ( 0.136 0.514 -1.527) 1.617 3.609 ( 0.783 8.945 -2.213) 9.248 3.979 ( 19.348 17.210 -16.158) 30.522 5.287 ( 3.140 13.639 19.423) 23.940 6.024 ( -3.494 -3.007 1.889) 4.982 6.170 ( 13.603 21.698 -8.009) 26.832 8.098 ( 2.240 8.103 -0.855) 8.451 8.136 ( 5.723 9.555 11.759) 16.196 9.101 ( 21.478 19.791 0.736) 29.215 9.603 ( 1.473 3.659 -1.827) 4.347 11.229 ( -5.422 -3.205 0.288) 6.305 11.958 ( 13.302 16.198 -15.529) 26.086 13.161 ( -11.957 -6.854 13.220) 19.097 14.563 ( -2.761 -1.726 -22.083) 22.322 16.178 ( -9.362 -14.828 -0.703) 17.550 17.572 ( -5.068 -9.156 0.465) 10.475 18.609 ( -2.624 -10.105 12.905) 16.599 19.456 ( 7.797 13.402 -0.141) 15.506 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( -8.456 -12.911 -2.000) 15.563 3.834 ( 3.694 18.067 -2.574) 18.620 4.445 ( 19.566 15.197 -13.873) 28.394 5.525 ( 4.461 8.978 14.969) 18.016 5.925 ( -3.913 -4.654 2.337) 6.514 6.594 ( 14.535 17.005 -4.112) 22.745 8.000 ( -8.077 -0.493 4.922) 9.471 8.567 ( 15.416 13.411 10.580) 23.010 9.510 ( 7.161 -4.671 -7.232) 11.199 9.677 ( 8.458 15.371 -5.903) 18.511 11.194 ( -3.075 9.813 0.288) 10.288 12.209 ( 4.060 4.131 -9.164) 10.841 13.006 ( -4.945 4.315 11.966) 13.647 14.465 ( 0.260 -1.243 -14.571) 14.626 15.835 ( -15.782 -9.279 0.064) 18.308 17.416 ( 2.886 -18.852 0.600) 19.081 18.511 ( -1.900 -8.051 7.797) 11.368 19.684 ( 3.065 13.424 0.143) 13.770 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( -5.023 -12.113 -0.993) 13.150 4.025 ( -0.842 16.440 -1.254) 16.509 4.854 ( 15.970 12.445 -10.771) 22.933 5.664 ( -2.303 2.260 7.939) 8.569 5.852 ( 2.171 -3.821 3.020) 5.332 6.950 ( 11.451 6.934 2.040) 13.541 7.892 ( -5.896 4.762 -0.790) 7.620 8.927 ( 8.875 6.545 9.072) 14.279 9.397 ( -4.719 -10.406 4.206) 12.176 10.044 ( 17.735 16.212 -23.435) 33.564 11.279 ( -5.012 18.870 -0.618) 19.534 12.078 ( -12.636 -9.378 10.923) 19.155 13.176 ( 8.607 11.486 0.536) 14.363 14.467 ( 4.608 0.894 -8.205) 9.453 15.468 ( -18.659 -3.433 0.600) 18.982 17.297 ( 9.179 -26.019 0.754) 27.601 18.433 ( -1.035 -6.189 3.627) 7.248 19.833 ( -1.239 13.133 0.242) 13.193 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 1.364 -9.387 0.112) 9.486 4.129 ( -5.016 14.842 0.714) 15.683 5.171 ( 10.005 11.154 -6.766) 16.440 5.562 ( -5.551 -7.272 3.557) 9.816 5.905 ( 2.541 -1.413 0.845) 3.028 7.088 ( 3.093 -6.412 4.924) 8.657 7.933 ( -1.011 15.193 -2.573) 15.442 9.026 ( -0.844 -1.372 -1.225) 2.024 9.225 ( -3.952 -10.408 3.919) 11.803 10.466 ( 17.114 19.915 -22.699) 34.709 11.348 ( -9.982 20.054 -1.011) 22.424 11.780 ( -12.263 -13.092 22.543) 28.809 13.401 ( 5.989 4.758 -1.931) 7.889 14.579 ( 6.767 3.042 -3.379) 8.152 15.162 ( -14.856 3.663 0.480) 15.309 17.226 ( 14.292 -28.979 0.868) 32.324 18.375 ( -0.159 -4.528 0.405) 4.549 19.906 ( -4.995 12.186 0.250) 13.172 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 8.641 -5.728 0.935) 10.409 4.153 ( -9.082 13.009 2.181) 16.014 5.329 ( -6.288 4.507 3.874) 8.652 5.426 ( 2.390 -4.405 -6.140) 7.926 5.872 ( -2.058 -5.200 -0.942) 5.672 7.025 ( -0.795 -9.285 1.166) 9.391 8.051 ( -5.579 14.920 4.920) 16.671 8.891 ( -9.470 -5.157 -10.175) 14.826 9.145 ( 6.451 -5.672 -0.575) 8.609 10.716 ( -7.839 13.622 -13.643) 20.812 11.373 ( -8.242 19.180 0.376) 20.879 11.634 ( 6.009 -11.245 19.749) 23.507 13.426 ( -5.604 -0.778 -0.226) 5.663 14.641 ( -0.509 -1.828 0.472) 1.956 15.143 ( 3.789 13.542 -0.723) 14.080 17.224 ( 17.542 -27.106 0.760) 32.296 18.340 ( 0.689 -3.043 -1.803) 3.604 19.905 ( -8.170 10.327 0.207) 13.170 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 14.386 -2.391 1.263) 14.638 4.078 ( -13.772 9.493 2.289) 16.883 5.163 ( -8.126 -8.303 8.196) 14.218 5.351 ( -14.442 4.924 -11.811) 19.296 5.813 ( 3.868 -5.111 0.756) 6.454 6.893 ( -5.556 -7.161 -0.676) 9.089 8.061 ( -9.280 10.612 9.528) 17.015 8.583 ( -12.875 -7.192 -13.139) 19.751 9.308 ( 13.334 1.016 -2.507) 13.606 10.411 ( -27.273 -0.587 -1.557) 27.323 11.321 ( -13.697 10.662 2.801) 17.582 11.959 ( 25.735 1.588 4.919) 26.249 13.190 ( -19.353 -2.199 1.455) 19.532 14.636 ( 3.679 -2.045 2.247) 4.772 15.451 ( 13.612 13.544 -0.443) 19.208 17.291 ( 17.613 -21.229 0.404) 27.587 18.327 ( 1.487 -1.749 -2.840) 3.652 19.831 ( -10.806 7.532 0.127) 13.173 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 16.107 -0.386 0.855) 16.134 3.873 ( -17.925 3.912 1.105) 18.380 4.940 ( -19.587 -4.261 18.171) 27.055 5.005 ( -15.323 -0.609 -20.036) 25.231 5.883 ( 6.105 -0.720 0.127) 6.149 6.664 ( -14.643 -4.019 0.343) 15.188 8.035 ( -8.234 8.712 6.700) 13.733 8.266 ( -9.443 -7.555 -8.750) 14.927 9.533 ( 8.416 3.725 -2.421) 9.517 9.828 ( -35.390 -5.212 0.791) 35.781 11.210 ( -6.593 3.811 1.429) 7.748 12.445 ( 25.052 3.495 -0.242) 25.295 12.765 ( -26.437 -2.399 2.531) 26.666 14.749 ( 9.400 -0.519 2.563) 9.757 15.834 ( 17.170 8.441 0.036) 19.133 17.405 ( 14.750 -12.153 0.034) 19.112 18.339 ( 2.235 -0.699 -2.413) 3.362 19.682 ( -13.055 3.984 0.041) 13.650 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( -3.042 0.000 0.000) 3.042 3.613 ( -7.658 0.000 0.000) 7.658 4.497 ( -25.369 0.000 0.000) 25.369 4.756 ( -14.365 0.000 0.000) 14.365 5.988 ( 5.934 -0.000 -0.000) 5.934 6.314 ( -23.070 0.000 0.000) 23.070 7.931 ( -9.311 0.000 0.000) 9.311 8.128 ( -1.582 0.000 0.000) 1.582 9.080 ( -45.404 0.000 0.000) 45.404 9.636 ( -0.687 0.000 0.000) 0.687 11.227 ( 6.805 -0.000 -0.000) 6.805 12.277 ( -27.975 0.000 0.000) 27.975 12.874 ( 22.079 -0.000 -0.000) 22.079 14.947 ( 12.748 -0.000 -0.000) 12.748 16.189 ( 18.367 -0.000 -0.000) 18.367 17.562 ( 10.631 -0.000 -0.000) 10.631 18.376 ( 2.961 -0.000 -0.000) 2.961 19.458 ( -15.123 0.000 0.000) 15.123 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( -0.000 29.716 -9.566) 31.217 2.952 ( 0.000 19.911 5.323) 20.610 3.992 ( -0.000 -0.968 -9.677) 9.725 5.101 ( 0.000 14.592 20.923) 25.509 5.542 ( -0.000 28.179 -8.403) 29.405 6.092 ( -0.000 0.152 -0.046) 0.158 7.701 ( -0.000 48.536 -14.005) 50.517 7.732 ( 0.000 2.358 6.827) 7.223 8.497 ( 0.000 3.972 20.282) 20.667 9.342 ( -0.000 4.671 -2.486) 5.291 11.425 ( -0.000 22.614 -13.060) 26.114 11.602 ( -0.000 -19.132 0.172) 19.132 13.494 ( 0.000 -10.499 8.601) 13.572 14.793 ( -0.000 0.204 -34.742) 34.743 16.421 ( -0.000 -21.513 -1.404) 21.559 18.352 ( 0.000 9.226 -0.017) 9.226 18.634 ( 0.000 10.462 0.387) 10.469 18.789 ( 0.000 -14.589 19.988) 24.746 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 4.791 22.316 -3.663) 23.116 3.272 ( 12.109 17.373 -1.266) 21.215 3.892 ( -4.794 -1.744 -11.969) 13.011 5.287 ( -1.545 12.976 19.750) 23.682 5.834 ( 4.732 25.142 -8.605) 26.991 6.100 ( -0.169 2.394 0.322) 2.422 7.808 ( 2.715 10.820 4.573) 12.057 8.146 ( 6.073 21.158 -7.265) 23.181 8.647 ( 1.663 17.550 16.927) 24.440 9.429 ( 5.943 3.596 -3.446) 7.754 11.386 ( -2.995 -16.071 0.360) 16.351 11.635 ( 4.445 19.933 -13.977) 24.748 13.416 ( -2.668 -7.223 11.144) 13.546 14.675 ( -2.462 0.464 -28.200) 28.311 16.217 ( 2.123 -22.316 -1.388) 22.460 18.151 ( -22.420 6.435 0.092) 23.325 18.683 ( -1.276 -13.278 16.953) 21.572 18.992 ( 17.960 9.917 -0.492) 20.522 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.354 ( -0.173 0.419 -2.567) 2.607 3.628 ( 11.210 10.628 3.524) 15.844 3.863 ( 4.932 18.596 -19.055) 27.078 5.439 ( 0.185 8.618 16.602) 18.706 6.029 ( -0.627 2.455 2.114) 3.300 6.238 ( 5.522 23.275 -7.269) 25.001 8.056 ( 10.398 11.216 5.317) 16.192 8.249 ( -3.632 1.870 7.617) 8.644 8.999 ( 10.597 18.620 -4.298) 21.851 9.576 ( 6.224 5.446 -1.064) 8.339 11.232 ( -0.076 -7.649 1.128) 7.732 11.891 ( 8.132 17.750 -13.548) 23.764 13.319 ( -7.217 -2.969 13.302) 15.422 14.542 ( -3.657 0.155 -21.762) 22.067 16.029 ( 1.998 -22.003 -0.923) 22.113 17.799 ( -22.218 1.425 0.507) 22.269 18.578 ( -1.687 -11.343 12.004) 16.602 19.377 ( 14.585 9.909 -0.020) 17.632 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( -9.013 -12.084 -1.993) 15.207 3.943 ( 6.876 18.400 1.308) 19.686 4.220 ( 16.670 17.452 -16.584) 29.283 5.580 ( 3.138 4.749 12.943) 14.140 5.981 ( -5.312 -1.733 3.824) 6.771 6.579 ( 8.103 21.678 -4.069) 23.498 8.141 ( -6.977 -0.855 3.981) 8.078 8.444 ( 15.256 8.709 12.212) 21.394 9.254 ( 11.224 -0.623 -13.028) 17.207 9.735 ( 2.713 11.601 -2.443) 12.162 11.262 ( 5.066 4.327 0.519) 6.682 12.153 ( 6.644 12.227 -7.150) 15.645 13.206 ( -9.011 2.645 11.377) 14.752 14.430 ( -2.160 0.454 -15.366) 15.523 15.837 ( -0.535 -18.712 0.075) 18.720 17.427 ( -18.118 -5.873 0.694) 19.059 18.479 ( -1.473 -9.004 7.568) 11.854 19.687 ( 9.874 9.709 0.181) 13.850 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -8.322 -11.712 -1.027) 14.404 4.212 ( 1.415 19.999 -0.369) 20.052 4.625 ( 18.180 11.344 -11.870) 24.497 5.723 ( 4.342 3.174 8.253) 9.851 5.845 ( -7.155 -5.381 3.580) 9.642 6.886 ( 6.865 12.392 1.865) 14.289 8.030 ( -5.767 3.142 -0.890) 6.627 8.800 ( 13.466 0.912 9.576) 16.549 9.317 ( 4.516 -8.276 -0.712) 9.454 9.908 ( 7.632 14.906 -17.326) 24.096 11.462 ( 5.576 14.261 -0.814) 15.333 12.231 ( -7.052 1.233 8.528) 11.135 13.180 ( -0.699 5.617 0.850) 5.724 14.403 ( 1.972 3.299 -9.054) 9.836 15.645 ( -4.983 -9.817 1.137) 11.068 17.069 ( -10.458 -15.775 0.715) 18.940 18.397 ( -0.988 -6.737 3.929) 7.861 19.913 ( 5.067 9.292 0.226) 10.586 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -3.536 -9.302 -0.146) 9.952 4.387 ( -3.886 19.317 0.477) 19.710 4.989 ( 16.714 6.789 -7.463) 19.523 5.640 ( -9.037 -6.856 2.758) 11.674 5.847 ( 4.155 0.088 2.965) 5.105 7.028 ( 0.941 -0.803 5.663) 5.796 8.059 ( 1.151 13.466 -4.693) 14.306 8.935 ( 5.476 -8.572 0.379) 10.179 9.243 ( -5.135 -7.435 6.763) 11.287 10.254 ( 19.979 18.243 -20.571) 33.987 11.651 ( -3.138 13.705 -1.372) 14.126 12.039 ( -17.116 -0.179 19.563) 25.994 13.254 ( 7.358 -3.212 -4.945) 9.429 14.502 ( 5.448 5.831 -4.276) 9.053 15.487 ( -11.091 5.856 1.301) 12.609 16.778 ( 1.769 -26.109 0.832) 26.182 18.337 ( -0.402 -4.653 1.234) 4.830 20.049 ( 0.445 8.279 0.206) 8.294 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 3.642 -5.780 0.371) 6.842 4.466 ( -8.450 16.697 2.042) 18.824 5.263 ( 10.541 -2.005 -4.588) 11.669 5.440 ( -5.209 -2.578 2.094) 6.177 5.873 ( -1.446 -1.798 -0.631) 2.392 6.979 ( -2.564 -5.758 3.272) 7.102 8.258 ( 1.954 17.083 0.186) 17.195 8.880 ( 0.367 -10.121 -4.850) 11.230 9.067 ( -5.937 -6.565 1.370) 8.957 10.763 ( 19.682 21.538 -18.997) 34.816 11.503 ( -13.297 -11.447 14.345) 22.663 11.890 ( -16.274 14.811 8.676) 23.654 13.328 ( 9.077 -8.205 -2.974) 12.592 14.617 ( 2.941 1.319 -1.142) 3.420 15.400 ( -12.779 18.763 0.061) 22.701 16.655 ( 15.710 -27.889 0.946) 32.024 18.299 ( 0.219 -2.792 -0.406) 2.830 20.094 ( -3.809 6.384 0.155) 7.435 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 10.812 -2.259 0.446) 11.054 4.423 ( -13.249 9.850 2.003) 16.631 5.170 ( -3.906 -8.856 -0.431) 9.689 5.552 ( 3.858 8.633 -1.402) 9.559 5.746 ( -7.073 -6.367 -0.520) 9.531 6.892 ( -2.232 -3.840 0.383) 4.458 8.373 ( -8.262 12.354 9.605) 17.695 8.662 ( -9.972 -9.428 -12.381) 18.484 9.073 ( 11.270 -1.696 -0.127) 11.398 10.884 ( -24.110 8.103 -7.285) 26.458 11.506 ( 25.869 -6.384 9.018) 28.130 11.720 ( -18.677 9.141 1.698) 20.863 13.348 ( -1.073 -4.072 -0.306) 4.222 14.613 ( -1.663 -0.899 0.392) 1.930 15.444 ( -0.014 12.370 -0.507) 12.381 16.769 ( 21.336 -15.520 0.526) 26.389 18.286 ( 0.852 -1.210 -0.869) 1.717 20.046 ( -7.512 3.563 0.080) 8.314 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 15.579 -0.000 -0.000) 15.579 4.209 ( -17.012 0.000 0.000) 17.012 5.054 ( -4.629 0.000 0.000) 4.629 5.396 ( -21.650 0.000 0.000) 21.650 5.758 ( 7.852 -0.000 -0.000) 7.852 6.813 ( -5.577 0.000 0.000) 5.577 8.322 ( -10.617 0.000 0.000) 10.617 8.342 ( -12.326 0.000 0.000) 12.326 9.318 ( 15.359 -0.000 -0.000) 15.359 10.399 ( -31.677 0.000 0.000) 31.677 11.442 ( -16.037 0.000 0.000) 16.037 11.999 ( 27.929 -0.000 -0.000) 27.929 13.159 ( -18.210 0.000 0.000) 18.210 14.623 ( 4.298 -0.000 -0.000) 4.298 15.618 ( 12.072 -0.000 -0.000) 12.072 17.049 ( 18.976 -0.000 -0.000) 18.976 18.299 ( 1.508 -0.000 -0.000) 1.508 19.907 ( -10.570 0.000 0.000) 10.570 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( -0.000 14.680 -6.729) 16.149 3.316 ( 0.000 13.939 3.668) 14.413 3.908 ( -0.000 5.779 -13.304) 14.505 5.455 ( 0.000 7.068 16.436) 17.891 6.033 ( -0.000 26.440 -9.313) 28.033 6.138 ( 0.000 4.824 1.846) 5.165 7.870 ( 0.000 4.218 11.808) 12.539 8.266 ( -0.000 13.566 -7.210) 15.363 8.905 ( 0.000 25.473 9.903) 27.330 9.381 ( -0.000 2.158 -4.838) 5.297 11.234 ( -0.000 -17.327 0.075) 17.327 11.750 ( -0.000 18.608 -12.647) 22.499 13.429 ( 0.000 -2.069 12.998) 13.162 14.624 ( -0.000 1.367 -24.217) 24.256 15.966 ( -0.000 -22.538 -1.722) 22.604 18.526 ( 0.000 7.914 0.076) 7.915 18.610 ( 0.000 -12.909 13.724) 18.841 18.817 ( 0.000 6.702 0.249) 6.706 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -1.137 -2.925 -3.398) 4.625 3.540 ( 9.570 10.771 2.715) 14.662 3.985 ( 0.332 21.081 -15.011) 25.881 5.546 ( -0.672 3.543 12.902) 13.397 6.143 ( -4.355 7.231 2.797) 8.892 6.341 ( 6.313 23.034 -7.297) 24.973 8.003 ( 6.891 3.533 10.375) 12.947 8.330 ( -1.261 2.694 2.840) 4.113 9.104 ( -4.164 15.983 -5.676) 17.465 9.502 ( 9.484 8.166 -1.614) 12.619 11.095 ( 2.965 -13.098 -0.046) 13.430 11.933 ( 4.184 18.281 -9.555) 21.047 13.448 ( -3.429 2.211 13.993) 14.576 14.543 ( -2.748 1.378 -19.909) 20.145 15.755 ( 2.114 -22.573 -1.672) 22.733 18.265 ( -25.666 4.644 0.453) 26.087 18.521 ( -0.730 -11.101 10.188) 15.085 19.159 ( 19.753 6.680 0.393) 20.856 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( -7.213 -10.270 -2.365) 12.770 3.864 ( 15.054 8.488 2.906) 17.525 4.231 ( 4.769 26.029 -15.212) 30.523 5.602 ( 0.752 1.228 10.076) 10.179 6.103 ( -6.738 1.474 4.147) 8.048 6.676 ( 6.606 23.344 -4.085) 24.602 8.194 ( 5.027 -0.733 3.061) 5.931 8.337 ( 3.339 0.226 11.970) 12.429 9.107 ( 0.157 1.997 -11.824) 11.993 9.759 ( 7.025 11.195 -2.967) 13.546 11.110 ( 10.159 -5.394 -1.147) 11.559 12.192 ( 5.901 18.387 -3.408) 19.609 13.426 ( -7.965 4.367 11.525) 14.674 14.445 ( -3.370 2.008 -15.042) 15.546 15.576 ( 3.837 -22.326 -0.834) 22.668 17.829 ( -27.679 1.021 0.771) 27.708 18.433 ( -0.919 -8.750 6.673) 11.043 19.541 ( 16.256 6.410 0.344) 17.478 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( -9.617 -9.793 -1.307) 13.788 4.229 ( 16.007 7.621 3.201) 18.015 4.527 ( 5.575 23.036 -13.979) 27.516 5.674 ( 3.756 -0.370 7.993) 8.839 5.963 ( -9.106 -3.918 3.129) 10.395 6.968 ( 2.720 17.593 1.306) 17.850 8.142 ( -4.752 0.880 -1.827) 5.166 8.553 ( 14.441 -6.254 8.715) 17.989 9.140 ( 6.933 -0.773 -4.636) 8.376 9.914 ( 2.404 8.732 -8.938) 12.725 11.331 ( 16.834 2.328 -1.984) 17.110 12.419 ( -1.397 14.448 6.366) 15.850 13.327 ( -10.040 2.688 2.468) 10.683 14.404 ( -0.264 5.387 -9.010) 10.501 15.453 ( 6.779 -19.186 0.588) 20.357 17.339 ( -27.585 -3.452 0.774) 27.811 18.360 ( -0.793 -6.245 3.674) 7.289 19.845 ( 11.520 5.866 0.252) 12.930 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -7.880 -7.167 -0.411) 10.659 4.565 ( 9.585 11.146 3.845) 15.195 4.783 ( 7.811 13.264 -10.725) 18.761 5.718 ( -5.784 -8.567 5.144) 11.546 5.794 ( 0.988 0.032 1.279) 1.617 7.090 ( -3.381 5.484 4.726) 7.990 8.145 ( 0.951 10.826 -5.922) 12.377 8.684 ( 10.383 -13.688 2.623) 17.379 9.247 ( 2.671 -1.787 5.206) 6.118 10.057 ( 11.357 9.655 -13.283) 19.966 11.656 ( 13.388 5.334 -1.376) 14.477 12.437 ( -13.828 11.047 15.100) 23.265 13.161 ( -5.825 -5.480 -7.037) 10.653 14.483 ( 2.975 7.590 -4.136) 9.141 15.472 ( 11.803 -7.710 1.367) 14.164 16.814 ( -25.519 -9.564 0.585) 27.258 18.306 ( -0.505 -3.858 1.468) 4.159 20.055 ( 6.459 4.771 0.162) 8.032 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -2.638 -3.568 0.033) 4.437 4.759 ( -4.558 15.001 2.372) 15.856 5.008 ( 13.951 -1.889 -4.677) 14.835 5.501 ( -7.071 -6.048 1.267) 9.390 5.857 ( 2.382 -0.130 0.532) 2.444 7.028 ( -5.910 -1.174 2.664) 6.588 8.337 ( 6.169 15.441 -3.239) 16.941 8.686 ( 5.951 -14.141 0.330) 15.346 9.172 ( -8.536 -2.658 2.140) 9.193 10.447 ( 25.064 8.434 -8.085) 27.653 11.723 ( -10.639 -1.843 2.930) 11.188 12.350 ( -15.704 14.186 8.958) 22.981 13.041 ( 7.355 -10.886 -5.498) 14.242 14.581 ( 2.723 2.692 -1.291) 4.041 15.721 ( 10.264 14.629 0.487) 17.877 16.292 ( -15.366 -20.853 0.492) 25.908 18.275 ( -0.124 -1.734 0.214) 1.752 20.162 ( 1.379 2.836 0.081) 3.155 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 4.477 -0.000 -0.000) 4.477 4.702 ( -11.072 0.000 0.000) 11.072 5.139 ( 2.947 -0.000 -0.000) 2.947 5.457 ( 5.422 -0.000 -0.000) 5.422 5.847 ( -3.983 0.000 0.000) 3.983 6.929 ( -4.396 0.000 0.000) 4.396 8.574 ( 5.349 -0.000 -0.000) 5.349 8.616 ( -1.747 0.000 0.000) 1.747 9.002 ( -6.173 0.000 0.000) 6.173 10.969 ( 29.838 -0.000 -0.000) 29.838 11.375 ( -24.612 0.000 0.000) 24.612 12.120 ( -20.206 0.000 0.000) 20.206 13.192 ( 13.265 -0.000 -0.000) 13.265 14.623 ( 0.906 -0.000 -0.000) 0.906 15.709 ( -20.620 0.000 0.000) 20.620 16.269 ( 25.388 -0.000 -0.000) 25.388 18.268 ( 0.327 -0.000 -0.000) 0.327 20.159 ( -3.389 0.000 0.000) 3.389 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( -0.000 -6.642 -3.181) 7.365 3.564 ( 0.000 9.020 2.335) 9.318 4.153 ( -0.000 22.308 -12.305) 25.476 5.626 ( 0.000 3.371 10.655) 11.175 6.259 ( 0.000 3.730 2.778) 4.651 6.488 ( -0.000 24.565 -7.275) 25.620 7.974 ( 0.000 -2.706 9.753) 10.122 8.368 ( 0.000 1.053 2.595) 2.801 9.370 ( -0.000 16.997 -6.017) 18.031 9.409 ( -0.000 4.256 -2.704) 5.042 10.918 ( -0.000 -13.996 -0.686) 14.013 12.048 ( -0.000 17.704 -5.728) 18.607 13.569 ( 0.000 6.224 14.380) 15.670 14.524 ( -0.000 1.773 -17.228) 17.319 15.511 ( -0.000 -21.455 -2.313) 21.579 18.450 ( 0.000 -9.579 7.617) 12.238 18.664 ( 0.000 5.736 0.105) 5.737 18.919 ( 0.000 3.201 1.190) 3.415 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( -4.023 -8.135 -2.390) 9.385 3.729 ( 8.986 6.520 1.680) 11.229 4.363 ( 3.303 21.316 -10.271) 23.891 5.671 ( -2.276 3.766 8.302) 9.396 6.235 ( -5.549 -0.218 2.492) 6.087 6.775 ( 6.614 23.190 -4.441) 24.520 8.021 ( 8.217 -7.637 5.552) 12.517 8.367 ( -1.516 -0.914 5.017) 5.320 9.229 ( -12.238 5.220 -6.521) 14.816 9.694 ( 11.282 9.548 -3.592) 15.211 10.857 ( 8.024 -10.127 -1.500) 13.007 12.262 ( 5.633 17.296 -1.640) 18.264 13.638 ( -5.321 6.733 12.205) 14.920 14.476 ( -2.184 3.115 -13.461) 13.989 15.306 ( 1.526 -20.812 -2.067) 20.970 18.339 ( -26.711 2.405 0.291) 26.820 18.384 ( -1.542 -7.151 5.497) 9.151 19.265 ( 21.223 3.667 0.578) 21.545 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -8.144 -6.833 -1.383) 10.721 4.001 ( 15.286 4.105 1.032) 15.862 4.619 ( 6.123 18.340 -8.379) 21.073 5.690 ( -1.902 3.240 6.695) 7.677 6.084 ( -9.084 -5.323 1.535) 10.640 7.098 ( 4.992 19.266 -0.015) 19.903 8.104 ( 8.566 -8.013 -2.333) 11.960 8.349 ( 1.130 -3.920 7.293) 8.357 9.098 ( -3.436 2.791 -4.080) 6.020 9.905 ( 5.016 5.704 -4.251) 8.704 11.001 ( 17.491 -3.950 -1.876) 18.029 12.544 ( 6.433 14.890 2.788) 16.458 13.567 ( -12.204 2.835 5.134) 13.539 14.455 ( -1.298 7.110 -7.851) 10.671 15.145 ( 4.590 -19.588 -0.565) 20.126 17.847 ( -30.709 0.410 0.597) 30.717 18.326 ( -0.536 -4.789 2.876) 5.612 19.638 ( 17.432 3.124 0.289) 17.712 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -9.643 -3.791 -0.468) 10.372 4.331 ( 18.466 2.103 0.606) 18.596 4.854 ( 4.442 12.481 -5.217) 14.238 5.721 ( -0.020 1.582 6.010) 6.215 5.848 ( -9.576 -6.949 -1.306) 11.903 7.253 ( -4.566 7.771 2.672) 9.402 8.180 ( 5.683 6.678 -8.486) 12.202 8.376 ( 7.622 -12.530 7.150) 16.316 9.157 ( 6.724 1.336 0.758) 6.897 9.979 ( 2.448 2.730 -4.655) 5.926 11.344 ( 22.814 0.406 -0.940) 22.837 12.734 ( -1.747 9.648 6.588) 11.813 13.310 ( -17.006 -2.731 -2.899) 17.466 14.519 ( 0.636 7.711 -3.008) 8.301 15.122 ( 13.065 -12.085 0.704) 17.811 17.296 ( -32.424 -1.189 0.355) 32.448 18.288 ( -0.503 -2.241 1.055) 2.528 19.924 ( 12.449 1.964 0.110) 12.603 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -7.679 0.000 0.000) 7.679 4.670 ( 18.778 -0.000 -0.000) 18.778 4.940 ( -1.732 0.000 0.000) 1.732 5.610 ( -9.663 0.000 0.000) 9.663 5.798 ( 3.839 -0.000 -0.000) 3.839 7.160 ( -8.432 0.000 0.000) 8.432 8.342 ( 3.697 -0.000 -0.000) 3.697 8.439 ( 11.101 -0.000 -0.000) 11.101 9.250 ( 0.314 -0.000 -0.000) 0.314 10.114 ( 14.303 -0.000 -0.000) 14.303 11.696 ( 13.998 -0.000 -0.000) 13.998 12.699 ( -10.678 0.000 0.000) 10.678 12.989 ( -12.180 0.000 0.000) 12.180 14.565 ( 0.948 -0.000 -0.000) 0.948 15.390 ( 22.849 -0.000 -0.000) 22.849 16.717 ( -32.993 0.000 0.000) 32.993 18.271 ( -0.362 0.000 0.000) 0.362 20.104 ( 6.960 -0.000 -0.000) 6.960 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -0.000 -6.005 -1.807) 6.271 3.710 ( 0.000 4.480 1.146) 4.625 4.483 ( -0.000 14.630 -6.568) 16.037 5.774 ( 0.000 6.117 6.297) 8.779 6.277 ( 0.000 -3.059 0.971) 3.209 6.922 ( -0.000 21.875 -3.757) 22.195 7.854 ( 0.000 -12.703 3.784) 13.255 8.385 ( 0.000 -0.713 3.056) 3.138 9.527 ( 0.000 6.841 1.219) 6.948 9.529 ( -0.000 5.199 -7.561) 9.176 10.673 ( -0.000 -9.364 -1.437) 9.474 12.355 ( 0.000 13.189 -0.420) 13.196 13.795 ( 0.000 6.404 10.440) 12.247 14.496 ( -0.000 5.186 -9.889) 11.167 15.091 ( -0.000 -18.421 -2.650) 18.610 18.336 ( 0.000 -5.125 3.329) 6.111 18.753 ( 0.000 3.003 0.070) 3.004 18.967 ( 0.000 1.081 0.953) 1.441 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( -4.580 -3.404 -0.886) 5.775 3.823 ( 8.677 2.176 0.539) 8.962 4.626 ( 5.189 8.233 -3.621) 10.384 5.815 ( -3.655 5.436 3.732) 7.539 6.176 ( -6.878 -4.700 0.145) 8.331 7.172 ( 6.049 15.878 -1.186) 17.033 7.814 ( 9.081 -11.627 0.859) 14.778 8.371 ( -1.781 -0.715 2.175) 2.900 9.283 ( -14.713 2.395 -2.062) 15.049 9.811 ( 10.788 3.690 -1.410) 11.488 10.692 ( 11.137 -4.550 -1.113) 12.083 12.530 ( 7.420 7.823 0.593) 10.798 13.798 ( -8.204 2.639 4.706) 9.819 14.531 ( -0.745 8.002 -4.539) 9.230 14.922 ( 0.967 -14.812 -1.362) 14.906 18.302 ( -0.329 -2.489 1.420) 2.885 18.378 ( -28.888 0.718 0.418) 28.900 19.315 ( 22.058 1.160 0.251) 22.090 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -8.321 0.000 0.000) 8.321 4.045 ( 15.175 -0.000 -0.000) 15.175 4.787 ( 8.192 -0.000 -0.000) 8.192 5.786 ( -3.484 0.000 0.000) 3.484 5.985 ( -10.761 0.000 0.000) 10.761 7.340 ( 1.879 -0.000 -0.000) 1.879 7.960 ( 14.260 -0.000 -0.000) 14.260 8.330 ( -2.392 0.000 0.000) 2.392 9.122 ( -3.470 0.000 0.000) 3.470 9.946 ( 3.581 -0.000 -0.000) 3.581 10.952 ( 20.503 -0.000 -0.000) 20.503 12.723 ( 8.087 -0.000 -0.000) 8.087 13.601 ( -15.999 0.000 0.000) 15.999 14.567 ( -0.682 0.000 0.000) 0.682 14.881 ( 5.757 -0.000 -0.000) 5.757 17.853 ( -31.695 0.000 0.000) 31.695 18.286 ( -0.422 0.000 0.000) 0.422 19.670 ( 17.859 -0.000 -0.000) 17.859 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 7.204 ( 0.000 0.000 0.000) 0.000 7.658 ( 0.000 -0.000 0.000) 0.000 8.387 ( -0.000 0.000 -0.000) 0.000 9.548 ( 0.000 0.000 0.000) 0.000 9.618 ( 0.000 0.000 0.000) 0.000 10.564 ( 0.000 0.000 0.000) 0.000 12.498 ( 0.000 0.000 0.000) 0.000 13.896 ( 0.000 0.000 0.000) 0.000 14.584 ( 0.000 0.000 0.000) 0.000 14.825 ( 0.000 0.000 0.000) 0.000 18.294 ( 0.000 0.000 0.000) 0.000 18.783 ( 0.000 0.000 0.000) 0.000 18.980 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 0.000 -0.000 40.449) 40.449 0.388 ( 0.000 -0.000 40.449) 40.449 0.622 ( 0.000 -0.000 64.811) 64.811 4.171 ( -0.000 0.000 -4.721) 4.721 4.171 ( -0.000 0.000 -4.721) 4.721 6.262 ( -0.000 0.000 -5.930) 5.930 6.999 ( -0.000 0.000 -0.394) 0.394 8.099 ( -0.000 -0.000 -1.578) 1.578 8.099 ( 0.000 0.000 -1.578) 1.578 8.705 ( 0.000 -0.000 2.136) 2.136 8.705 ( 0.000 -0.000 2.136) 2.136 12.624 ( 0.000 -0.000 0.078) 0.078 12.624 ( 0.000 -0.000 0.078) 0.078 14.074 ( 0.000 -0.000 1.194) 1.194 17.153 ( -0.000 0.000 -3.623) 3.623 17.821 ( -0.000 -0.000 -0.059) 0.059 17.821 ( -0.000 0.000 -0.059) 0.059 20.996 ( 0.000 -0.000 1.869) 1.869 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 30.419 17.563 20.190) 40.515 1.039 ( 32.723 18.893 20.420) 42.950 1.674 ( 52.370 30.236 28.948) 67.043 4.246 ( 8.396 4.847 -7.152) 12.047 4.455 ( 22.532 13.009 -6.996) 26.942 5.174 ( -19.261 -11.120 15.384) 27.043 6.930 ( -4.943 -2.854 -0.389) 5.721 8.101 ( 0.537 0.310 -0.280) 0.680 8.126 ( -1.651 -0.953 6.024) 6.319 8.718 ( 4.105 2.370 -3.841) 6.100 10.141 ( 25.181 14.538 -23.978) 37.688 12.542 ( -6.980 -4.030 0.121) 8.061 14.002 ( -2.827 -1.632 -1.473) 3.581 14.873 ( 63.134 36.451 -138.757) 156.742 17.186 ( 1.631 0.941 -5.125) 5.460 17.858 ( 5.431 3.135 -1.267) 6.397 17.869 ( 4.007 2.313 0.039) 4.627 19.782 ( -46.431 -26.807 82.602) 98.476 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 32.155 18.565 9.076) 38.222 1.843 ( 31.078 17.943 14.260) 38.616 2.863 ( 42.466 24.518 16.290) 51.671 4.504 ( 16.033 9.257 -9.435) 20.779 4.860 ( -12.313 -7.109 -1.517) 14.298 5.144 ( 37.021 21.374 -6.188) 43.194 6.822 ( -2.831 -1.635 1.027) 3.427 8.080 ( -4.262 -2.460 11.146) 12.184 8.148 ( 3.561 2.056 2.771) 4.958 8.850 ( 8.380 4.838 -7.233) 12.080 10.585 ( 20.334 11.740 -9.730) 25.416 12.314 ( -12.534 -7.236 0.137) 14.473 13.868 ( -8.252 -4.764 1.559) 9.655 15.200 ( 8.224 4.748 -77.179) 77.761 17.083 ( -9.230 -5.329 -4.314) 11.498 17.998 ( 6.836 3.947 0.140) 7.894 18.096 ( 14.105 8.144 -3.198) 16.598 19.285 ( -20.843 -12.034 52.664) 57.903 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 30.560 17.644 1.612) 35.324 2.537 ( 25.132 14.510 11.498) 31.215 3.714 ( 27.595 15.932 4.531) 32.185 4.590 ( -9.134 -5.274 -0.083) 10.548 4.913 ( 21.901 12.644 -11.082) 27.610 5.919 ( 24.604 14.205 -3.649) 28.643 6.934 ( 16.847 9.727 -2.539) 19.618 8.015 ( -4.667 -2.694 13.328) 14.376 8.307 ( 9.062 5.232 10.634) 14.919 9.040 ( 9.821 5.670 -7.695) 13.705 11.034 ( 21.065 12.162 -9.679) 26.179 11.981 ( -15.934 -9.200 0.122) 18.400 13.637 ( -12.379 -7.147 3.375) 14.687 15.030 ( -2.942 -1.699 -49.753) 49.869 16.776 ( -15.483 -8.939 -3.482) 18.214 18.174 ( 8.101 4.677 0.219) 9.357 18.408 ( 12.516 7.226 -1.339) 14.514 19.042 ( -13.074 -7.548 33.852) 37.066 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 18.246 10.534 8.886) 22.866 3.169 ( 24.056 13.889 -1.491) 27.818 4.003 ( -0.247 -0.143 -19.024) 19.026 4.663 ( 14.550 8.400 17.734) 24.429 5.428 ( 25.359 14.641 -11.428) 31.433 6.173 ( 2.098 1.211 2.533) 3.505 7.536 ( 30.389 17.545 -10.970) 36.765 7.950 ( -4.726 -2.729 13.569) 14.626 8.674 ( 19.221 11.097 18.606) 28.962 9.244 ( 9.582 5.532 -6.487) 12.826 11.486 ( 21.000 12.124 -13.192) 27.605 11.596 ( -17.063 -9.851 0.027) 19.703 13.324 ( -15.765 -9.102 6.307) 19.266 14.809 ( -3.760 -2.171 -34.664) 34.935 16.371 ( -18.322 -10.578 -2.852) 21.348 18.362 ( 7.970 4.602 0.256) 9.207 18.639 ( 6.772 3.910 2.349) 8.165 18.882 ( -8.150 -4.705 20.262) 22.340 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 12.196 7.041 6.050) 15.327 3.459 ( -2.131 -1.231 -0.611) 2.536 4.030 ( 14.674 8.472 -20.635) 26.700 5.106 ( 16.277 9.398 15.451) 24.331 5.991 ( 25.950 14.982 -10.424) 31.726 6.170 ( -2.076 -1.199 2.651) 3.574 7.878 ( -5.133 -2.963 12.032) 13.412 8.112 ( 21.615 12.480 -3.300) 25.176 9.264 ( 25.172 14.533 11.687) 31.328 9.429 ( 7.625 4.402 -4.040) 9.687 11.211 ( -15.795 -9.119 -0.296) 18.241 11.901 ( 18.384 10.614 -18.329) 28.046 12.974 ( -16.025 -9.252 12.346) 22.244 14.659 ( -0.891 -0.514 -23.343) 23.366 15.929 ( -18.849 -10.882 -2.339) 21.890 18.535 ( 6.799 3.925 0.238) 7.854 18.686 ( -4.497 -2.596 12.318) 13.367 18.841 ( 1.256 0.725 2.995) 3.327 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( -9.101 -5.255 -2.693) 10.849 3.682 ( 7.318 4.225 3.414) 9.114 4.392 ( 17.754 10.250 -13.528) 24.561 5.466 ( 10.791 6.230 10.979) 16.607 6.116 ( -2.736 -1.579 1.154) 3.363 6.539 ( 23.760 13.718 -8.416) 28.698 7.784 ( -6.103 -3.524 9.042) 11.464 8.543 ( 15.218 8.786 7.400) 19.067 9.556 ( 3.740 2.159 -0.891) 4.409 9.816 ( 20.524 11.850 -3.986) 24.032 10.886 ( -11.657 -6.730 -0.996) 13.497 12.116 ( 2.112 1.219 -16.639) 16.817 12.778 ( -1.689 -0.975 16.677) 16.791 14.619 ( 2.238 1.292 -13.865) 14.104 15.506 ( -16.624 -9.598 -2.109) 19.311 18.603 ( -4.743 -2.739 8.392) 10.021 18.672 ( 4.905 2.832 0.171) 5.666 18.873 ( 0.466 0.269 0.908) 1.055 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -5.344 -3.085 -1.327) 6.312 3.809 ( 3.188 1.840 1.198) 3.871 4.702 ( 11.492 6.635 -7.580) 15.282 5.662 ( 3.827 2.210 5.844) 7.327 6.066 ( -1.562 -0.902 0.464) 1.862 7.014 ( 18.879 10.900 -5.712) 22.536 7.646 ( -7.988 -4.612 5.656) 10.820 8.831 ( 6.498 3.752 8.591) 11.406 9.592 ( -0.450 -0.260 1.257) 1.360 10.180 ( 14.162 8.177 -16.267) 23.066 10.686 ( -5.164 -2.982 -1.454) 6.138 11.969 ( -8.660 -5.000 4.219) 10.854 12.934 ( 7.533 4.349 6.518) 10.870 14.651 ( 2.681 1.548 -6.136) 6.873 15.182 ( -9.889 -5.709 -2.133) 11.616 18.530 ( -3.170 -1.830 3.141) 4.823 18.759 ( 2.546 1.470 0.069) 2.941 18.872 ( -0.536 -0.310 0.968) 1.149 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 0.685 0.395 0.512) 0.942 3.839 ( -0.664 -0.383 -0.661) 1.012 4.854 ( 2.662 1.537 -1.907) 3.617 5.691 ( -2.088 -1.205 1.155) 2.673 6.049 ( -0.105 -0.060 0.364) 0.383 7.340 ( 6.664 3.847 -3.126) 8.305 7.458 ( -6.217 -3.590 3.656) 8.056 8.869 ( -4.122 -2.380 -0.406) 4.777 9.570 ( -1.000 -0.578 0.347) 1.206 10.361 ( 4.897 2.827 -15.546) 16.543 10.634 ( 0.704 0.406 -0.538) 0.974 11.871 ( -0.759 -0.438 14.078) 14.105 13.042 ( -0.842 -0.486 3.673) 3.800 14.687 ( 1.718 0.992 -0.943) 2.197 15.073 ( 1.089 0.629 -1.090) 1.664 18.477 ( -1.631 -0.942 -1.445) 2.374 18.788 ( -0.042 -0.024 -0.044) 0.066 18.865 ( -0.168 -0.097 0.988) 1.007 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 6.493 3.749 1.944) 7.745 3.774 ( -4.578 -2.643 -2.276) 5.755 4.812 ( -6.259 -3.613 2.925) 7.796 5.569 ( -8.327 -4.807 -3.370) 10.188 6.065 ( 1.312 0.758 0.760) 1.695 7.104 ( -16.514 -9.534 2.560) 19.240 7.574 ( 5.647 3.260 -0.902) 6.583 8.683 ( -9.694 -5.597 -6.901) 13.150 9.562 ( 0.269 0.155 -1.747) 1.774 10.252 ( -11.545 -6.666 -7.971) 15.533 10.709 ( 5.731 3.309 0.792) 6.665 12.051 ( 12.091 6.981 11.475) 18.072 12.904 ( -11.637 -6.719 3.967) 14.011 14.740 ( 2.649 1.529 2.830) 4.167 15.212 ( 10.608 6.124 0.834) 12.277 18.446 ( -0.180 -0.104 -5.196) 5.200 18.757 ( -2.624 -1.515 -0.147) 3.034 18.870 ( 0.201 0.116 0.767) 0.802 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( 8.959 5.173 2.150) 10.566 3.611 ( -8.850 -5.110 -3.637) 10.847 4.600 ( -12.709 -7.338 5.709) 15.746 5.290 ( -14.259 -8.232 -5.417) 17.333 6.101 ( 1.372 0.792 0.115) 1.589 6.673 ( -21.490 -12.407 4.280) 25.181 7.660 ( 2.709 1.564 -2.757) 4.170 8.429 ( -9.968 -5.755 -4.337) 12.300 9.548 ( -1.453 -0.839 -1.593) 2.314 9.787 ( -26.242 -15.151 -6.178) 30.925 10.907 ( 11.164 6.445 1.040) 12.933 12.437 ( 17.112 9.880 -0.923) 19.781 12.571 ( -17.243 -9.955 11.754) 23.121 14.835 ( 4.481 2.587 7.499) 9.111 15.541 ( 16.843 9.725 1.397) 19.499 18.436 ( 1.161 0.670 -7.946) 8.058 18.668 ( -4.962 -2.865 -0.222) 5.734 18.868 ( -0.866 -0.500 0.319) 1.049 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( -13.805 -7.970 -4.504) 16.565 3.458 ( -1.580 -0.912 -1.040) 2.100 4.338 ( -7.994 -4.615 5.708) 10.853 4.891 ( -19.225 -11.099 -1.457) 22.247 6.123 ( 0.813 0.469 -1.801) 2.031 6.153 ( -24.455 -14.119 5.431) 28.756 7.700 ( 2.224 1.284 -5.452) 6.027 8.202 ( -10.755 -6.209 6.015) 13.799 9.037 ( -34.652 -20.006 -11.548) 41.646 9.474 ( -4.839 -2.794 0.573) 5.616 11.220 ( 15.299 8.833 0.529) 17.674 12.117 ( -20.718 -11.962 1.099) 23.948 12.885 ( 17.737 10.240 5.762) 21.276 15.010 ( 8.338 4.814 10.656) 14.361 15.968 ( 19.212 11.092 1.589) 22.241 18.448 ( 2.247 1.297 -9.239) 9.597 18.530 ( -6.825 -3.940 -0.263) 7.885 18.819 ( -3.605 -2.082 -0.381) 4.181 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -19.695 -11.371 -4.397) 23.163 3.124 ( -24.208 -13.977 -5.946) 28.578 4.342 ( -8.446 -4.876 -15.227) 18.082 4.426 ( -8.527 -4.923 24.106) 26.039 5.596 ( -24.892 -14.372 5.204) 29.210 6.127 ( -0.433 -0.250 -2.130) 2.188 7.739 ( 3.059 1.766 -7.535) 8.322 7.769 ( -35.672 -20.595 11.927) 42.883 8.357 ( -12.952 -7.478 -13.317) 20.025 9.336 ( -7.389 -4.266 2.984) 9.039 11.597 ( 16.848 9.727 0.114) 19.455 11.625 ( -21.906 -12.647 0.924) 25.311 13.287 ( 15.689 9.058 2.765) 18.326 15.286 ( 12.514 7.225 9.889) 17.509 16.417 ( 18.759 10.830 1.697) 21.727 18.357 ( -7.960 -4.596 -0.270) 9.195 18.479 ( 2.705 1.562 -7.335) 7.972 18.691 ( -7.152 -4.129 -2.128) 8.528 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -26.329 -15.201 -2.759) 30.527 2.433 ( -32.099 -18.532 -7.586) 37.833 3.703 ( -34.179 -19.733 3.632) 39.633 4.651 ( 10.595 6.117 6.056) 13.651 5.058 ( -22.405 -12.936 3.468) 26.102 5.966 ( -19.622 -11.329 1.065) 22.682 6.957 ( -24.175 -13.957 -1.043) 27.934 7.799 ( 4.406 2.544 -8.444) 9.858 8.205 ( -2.811 -1.623 0.800) 3.343 9.161 ( -8.595 -4.962 4.801) 11.025 11.122 ( -21.374 -12.340 -0.482) 24.685 11.979 ( 15.880 9.168 -0.040) 18.336 13.619 ( 12.358 7.135 1.668) 14.367 15.638 ( 15.924 9.194 2.061) 18.503 16.826 ( 15.803 9.124 1.477) 18.307 18.169 ( -8.055 -4.651 -0.248) 9.305 18.460 ( -10.610 -6.126 2.675) 12.540 18.543 ( 2.644 1.526 -7.131) 7.757 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -34.350 -19.832 -4.757) 39.948 1.709 ( -32.606 -18.825 1.030) 37.665 2.783 ( -47.717 -27.549 8.280) 55.717 4.605 ( -17.000 -9.815 0.756) 19.645 4.883 ( 7.235 4.177 1.927) 8.574 5.220 ( -35.790 -20.664 0.549) 41.331 6.797 ( 4.001 2.310 -1.658) 4.908 7.889 ( 5.623 3.246 -8.128) 10.403 8.165 ( -1.813 -1.047 4.869) 5.300 8.978 ( -8.570 -4.948 5.745) 11.442 10.651 ( -18.503 -10.683 -3.028) 21.579 12.312 ( 12.539 7.239 -0.042) 14.478 13.863 ( 8.296 4.790 1.289) 9.666 15.992 ( 16.008 9.242 -26.947) 32.677 17.133 ( 9.771 5.641 0.489) 11.293 17.994 ( -6.762 -3.904 -0.203) 7.811 18.162 ( -13.379 -7.725 -7.371) 17.117 18.648 ( 4.839 2.794 23.980) 24.623 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 27.478 23.620) 36.235 1.086 ( 0.000 34.264 22.695) 41.099 1.826 ( 0.000 59.521 34.528) 68.811 4.252 ( -0.000 11.288 -6.887) 13.223 4.421 ( -0.000 26.442 -9.734) 28.177 5.251 ( 0.000 -24.581 15.852) 29.249 6.920 ( -0.000 -6.596 -0.975) 6.667 7.946 ( -0.000 -7.460 -5.001) 8.982 8.195 ( 0.000 3.500 6.528) 7.407 8.862 ( 0.000 8.438 4.961) 9.788 10.021 ( -0.000 35.272 -30.780) 46.814 12.542 ( -0.000 -8.109 0.085) 8.109 14.012 ( -0.000 -0.180 -2.216) 2.223 14.449 ( -0.000 76.052 -116.570) 139.186 17.177 ( -0.000 3.127 -5.435) 6.270 17.849 ( -0.000 4.752 -0.922) 4.841 17.866 ( 0.000 4.492 -0.163) 4.495 20.005 ( 0.000 -54.754 66.405) 86.068 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 19.967 23.890 13.853) 34.078 1.704 ( 20.857 30.458 15.420) 40.007 2.707 ( 21.720 46.605 24.666) 57.028 4.411 ( 5.675 15.800 -8.490) 18.813 4.863 ( 15.087 23.069 -10.282) 29.419 5.018 ( -4.614 1.704 3.659) 6.130 6.825 ( -1.764 -6.513 -0.357) 6.757 7.954 ( 9.066 -8.033 -1.778) 12.243 8.217 ( -3.967 2.975 10.803) 11.887 8.916 ( -3.075 13.393 -0.897) 13.771 10.393 ( 14.413 21.143 -15.368) 29.848 12.382 ( -6.662 -11.712 0.122) 13.474 13.939 ( -4.557 -5.463 2.367) 7.498 14.836 ( 14.018 23.092 -86.851) 90.955 17.151 ( -3.460 -2.777 -4.998) 6.683 17.836 ( 0.971 -0.096 0.021) 0.976 18.089 ( 9.665 15.561 -2.310) 18.464 19.587 ( -15.071 -29.544 53.341) 62.811 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 25.395 18.830 5.502) 32.090 2.413 ( 22.301 26.429 9.710) 35.918 3.519 ( 20.432 26.967 12.947) 36.226 4.615 ( -0.176 -0.141 -1.558) 1.574 4.823 ( 3.475 14.576 -10.067) 18.052 5.672 ( 25.581 31.952 -5.863) 41.349 6.802 ( 5.951 1.497 -1.199) 6.252 8.045 ( 6.027 -5.111 6.793) 10.421 8.239 ( 1.595 3.226 13.355) 13.832 9.038 ( 1.387 14.848 -5.200) 15.794 10.815 ( 16.792 17.437 -11.796) 26.929 12.096 ( -10.983 -14.123 0.217) 17.892 13.767 ( -9.091 -7.140 3.834) 12.179 14.857 ( 2.902 3.711 -59.182) 59.369 16.947 ( -12.688 -6.171 -3.869) 14.630 17.905 ( 10.236 -6.505 0.118) 12.129 18.430 ( 8.645 19.489 -1.584) 21.379 19.268 ( -12.358 -16.959 37.665) 43.115 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( 23.727 13.246 1.949) 27.244 3.046 ( 18.910 24.048 3.630) 30.807 3.913 ( 4.163 1.417 -9.427) 10.402 4.627 ( 5.657 8.764 15.674) 18.827 5.210 ( 16.782 22.696 -12.306) 30.792 6.138 ( 6.196 6.073 0.879) 8.720 7.196 ( 26.205 21.171 -9.954) 35.128 8.056 ( -3.632 -1.323 13.362) 13.909 8.505 ( 16.951 6.904 17.616) 25.403 9.211 ( 3.653 13.926 -6.313) 15.720 11.237 ( 17.369 14.791 -14.063) 26.800 11.746 ( -12.664 -13.116 0.401) 18.236 13.509 ( -13.224 -8.695 6.207) 17.000 14.713 ( -1.204 -0.545 -41.662) 41.683 16.594 ( -18.184 -7.508 -2.956) 19.894 18.036 ( 14.796 -11.794 0.142) 18.922 18.731 ( 3.713 17.359 1.916) 17.855 19.047 ( -8.977 -9.292 23.752) 27.038 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 16.613 7.562 2.310) 18.399 3.503 ( 4.531 10.616 1.906) 11.699 3.856 ( 6.531 3.842 -20.111) 21.491 5.004 ( 13.520 12.787 18.270) 26.079 5.715 ( 20.013 19.578 -10.681) 29.965 6.190 ( 0.402 -1.050 2.331) 2.588 7.838 ( 24.871 19.026 -7.731) 32.254 8.002 ( -6.193 -0.781 13.494) 14.868 9.028 ( 23.425 12.738 15.916) 31.053 9.388 ( 4.114 11.086 -5.343) 12.976 11.330 ( -10.121 -12.457 -2.593) 16.258 11.701 ( 13.824 16.037 -15.028) 25.964 13.190 ( -15.356 -9.504 10.715) 20.999 14.577 ( -0.215 -0.580 -28.816) 28.822 16.168 ( -20.411 -8.214 -2.257) 22.117 18.166 ( 16.189 -16.476 0.228) 23.100 18.805 ( -6.111 -5.149 16.007) 17.891 19.023 ( -1.976 16.094 1.712) 16.305 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( -7.200 -8.422 -2.389) 11.335 3.594 ( 8.831 5.515 1.396) 10.504 4.205 ( 16.561 19.014 -15.007) 29.343 5.383 ( 11.069 8.507 14.180) 19.899 6.050 ( 5.288 -4.041 -0.581) 6.681 6.349 ( 15.266 18.428 -6.606) 24.825 7.908 ( -7.572 -1.991 11.007) 13.507 8.377 ( 18.910 14.368 3.480) 24.003 9.519 ( 3.522 5.122 -1.022) 6.300 9.579 ( 19.870 12.137 -0.774) 23.296 11.023 ( -11.400 -7.132 -1.088) 13.491 12.025 ( 9.153 12.857 -17.960) 23.909 12.915 ( -9.988 -5.438 17.200) 20.620 14.524 ( 3.091 0.198 -18.407) 18.666 15.725 ( -19.903 -8.251 -1.827) 21.623 18.261 ( 16.086 -20.837 0.367) 26.326 18.680 ( -5.345 -6.362 10.742) 13.581 19.152 ( -5.302 19.789 0.371) 20.491 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( -5.383 -8.238 -1.846) 10.013 3.767 ( 4.872 3.733 0.953) 6.211 4.596 ( 11.889 16.694 -10.732) 23.134 5.625 ( 5.484 2.941 8.894) 10.855 6.034 ( 1.561 -5.443 0.651) 5.700 6.823 ( 17.582 17.427 -5.718) 25.408 7.770 ( -8.560 -3.535 7.323) 11.807 8.780 ( 10.206 9.066 9.253) 16.492 9.562 ( 0.707 -2.851 1.240) 3.188 9.968 ( 15.525 10.309 -17.151) 25.327 10.812 ( -9.172 1.841 -1.567) 9.485 12.070 ( -6.008 -0.632 -0.486) 6.061 12.933 ( 3.803 7.675 10.867) 13.836 14.562 ( 5.591 0.637 -10.058) 11.525 15.326 ( -15.662 -7.306 -1.750) 17.370 18.310 ( 15.491 -24.214 0.519) 28.749 18.571 ( -3.640 -4.915 4.980) 7.887 19.233 ( -8.644 20.487 0.519) 22.242 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( 0.201 -5.466 -0.071) 5.470 3.844 ( 0.523 2.194 0.121) 2.259 4.860 ( 4.264 12.403 -5.584) 14.255 5.691 ( 0.301 -2.660 3.723) 4.585 6.023 ( 1.471 -2.981 0.436) 3.353 7.217 ( 12.003 9.620 -2.334) 15.558 7.598 ( -9.226 -1.733 3.677) 10.082 8.925 ( -2.024 1.484 3.033) 3.937 9.513 ( 0.679 -8.365 1.104) 8.465 10.246 ( 10.890 11.564 -21.912) 27.063 10.727 ( -6.236 8.210 -1.302) 10.392 11.942 ( -5.310 -5.172 16.533) 18.119 13.114 ( 0.596 9.719 4.719) 10.820 14.642 ( 4.424 0.878 -3.604) 5.773 15.070 ( -4.906 -4.362 -1.861) 6.824 18.323 ( 15.011 -25.870 0.530) 29.914 18.488 ( -1.991 -3.638 0.310) 4.159 19.269 ( -10.949 20.493 0.566) 23.241 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 6.540 -1.953 1.417) 6.971 3.830 ( -3.853 1.028 -0.712) 4.051 4.943 ( -5.218 7.586 -0.810) 9.243 5.617 ( -4.435 -6.350 -0.860) 7.793 6.021 ( 1.887 -3.203 0.740) 3.790 7.254 ( -8.161 -8.187 -0.331) 11.565 7.579 ( 0.581 10.530 2.834) 10.921 8.791 ( -10.208 -3.171 -6.024) 12.270 9.469 ( 4.546 -7.684 -1.620) 9.074 10.350 ( -4.582 5.102 -14.701) 16.222 10.754 ( -1.841 11.422 0.022) 11.569 11.961 ( 6.332 -1.417 17.845) 18.988 13.109 ( -11.180 3.756 4.513) 12.628 14.701 ( 2.998 0.309 0.207) 3.021 15.091 ( 8.450 2.396 -0.633) 8.806 18.320 ( 14.314 -25.793 0.243) 29.500 18.431 ( -0.357 -2.777 -3.123) 4.194 19.269 ( -12.509 19.622 0.513) 23.275 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 11.064 0.976 2.106) 11.305 3.725 ( -8.537 -0.050 -1.512) 8.670 4.828 ( -14.197 2.948 1.586) 14.587 5.399 ( -10.145 -9.666 -3.867) 14.537 6.034 ( 3.344 -4.524 1.547) 5.835 6.940 ( -17.566 -7.844 0.737) 19.252 7.680 ( -0.770 6.925 2.488) 7.398 8.533 ( -10.840 -5.056 -7.350) 14.039 9.498 ( 4.737 -3.271 -3.317) 6.644 10.081 ( -21.469 -5.452 -7.393) 23.351 10.867 ( 2.182 10.336 1.501) 10.670 12.233 ( 16.215 5.102 6.698) 18.271 12.858 ( -19.140 -2.541 8.285) 21.010 14.776 ( 5.381 -0.112 3.250) 6.287 15.365 ( 15.229 9.187 0.594) 17.795 18.302 ( 12.795 -25.135 -0.102) 28.204 18.399 ( 0.868 -1.765 -5.332) 5.683 19.231 ( -13.662 17.703 0.359) 22.364 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( 5.824 -0.056 0.661) 5.862 3.535 ( -10.475 0.485 -1.703) 10.624 4.535 ( -18.516 -2.086 -1.677) 18.708 5.076 ( -14.320 -10.907 1.206) 18.041 6.045 ( 2.821 -5.113 0.429) 5.855 6.512 ( -23.458 -6.506 1.840) 24.413 7.717 ( -1.904 5.178 -0.297) 5.525 8.305 ( -7.503 -5.294 -0.933) 9.230 9.402 ( -24.270 -12.514 -7.611) 28.348 9.579 ( -12.060 -0.157 -1.284) 12.129 11.065 ( 10.139 7.367 1.457) 12.617 12.374 ( -16.331 -2.826 -10.337) 19.533 12.718 ( 12.122 4.460 18.646) 22.683 14.917 ( 8.796 1.333 5.141) 10.275 15.771 ( 18.019 12.539 0.972) 21.974 18.252 ( 9.991 -24.491 -0.221) 26.452 18.394 ( 1.841 -0.214 -5.998) 6.278 19.148 ( -14.826 14.660 0.071) 20.850 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( -18.651 -6.537 -1.955) 19.860 3.432 ( -15.844 0.849 -4.210) 16.415 4.283 ( -1.621 -2.057 -7.970) 8.389 4.692 ( -19.244 -11.923 13.565) 26.391 5.928 ( -19.358 -7.187 2.461) 20.795 6.135 ( -5.339 -1.240 -1.622) 5.716 7.727 ( -1.322 3.786 -3.291) 5.188 8.139 ( -11.435 -5.499 12.285) 17.661 8.583 ( -37.358 -16.396 -14.126) 43.174 9.476 ( -7.964 2.313 0.548) 8.312 11.369 ( 16.696 5.274 0.829) 17.529 11.921 ( -23.795 -7.247 -2.921) 25.045 13.102 ( 16.984 7.190 6.621) 19.596 15.139 ( 12.547 3.191 2.853) 13.257 16.222 ( 18.338 13.120 1.059) 22.573 18.156 ( 6.298 -22.539 -0.458) 23.406 18.422 ( 2.988 0.732 -3.623) 4.753 19.005 ( -16.461 10.850 -0.409) 19.720 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -26.156 -9.880 -1.694) 28.011 2.939 ( -33.997 -1.251 -6.483) 34.632 4.088 ( -24.141 -9.528 -4.418) 26.326 4.497 ( 7.984 -4.086 14.006) 16.631 5.429 ( -27.265 -4.707 1.243) 27.696 6.107 ( -2.902 -0.486 -1.026) 3.116 7.415 ( -43.093 -15.406 0.135) 45.765 7.788 ( -2.462 6.067 -3.007) 7.205 8.192 ( -1.108 -6.142 0.095) 6.242 9.333 ( -10.852 1.255 1.922) 11.092 11.417 ( -24.217 -7.322 -2.236) 25.399 11.735 ( 19.066 3.948 -0.023) 19.470 13.459 ( 14.671 5.731 3.260) 16.085 15.419 ( 15.601 4.039 -6.762) 17.476 16.655 ( 16.589 11.356 0.804) 20.120 18.025 ( 3.066 -18.994 -0.673) 19.251 18.493 ( 4.072 1.341 3.629) 5.617 18.789 ( -18.535 7.056 -0.780) 19.848 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -33.356 -7.916 -0.457) 34.285 2.280 ( -38.673 -0.688 -1.292) 38.701 3.413 ( -41.030 -11.024 7.421) 43.128 4.662 ( 6.776 -4.752 2.683) 8.700 4.972 ( -18.714 0.121 -1.431) 18.769 5.755 ( -37.261 -7.513 -0.865) 38.021 6.798 ( -8.933 -2.061 -2.207) 9.430 7.856 ( 2.449 7.428 -4.514) 9.030 8.145 ( 0.425 -6.015 7.027) 9.259 9.145 ( -11.640 -1.025 1.987) 11.853 10.931 ( -23.283 -4.811 -3.823) 24.080 12.092 ( 17.837 2.472 0.029) 18.007 13.738 ( 11.377 2.823 2.055) 11.901 15.679 ( 15.455 2.735 -30.263) 34.091 17.006 ( 12.684 6.530 -0.167) 14.268 17.895 ( 0.779 -12.008 -0.644) 12.051 18.472 ( -18.271 2.574 -6.046) 19.417 18.662 ( 4.721 3.132 25.890) 26.502 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.000 28.026 9.295) 29.527 1.879 ( 0.000 31.657 15.820) 35.390 3.107 ( 0.000 46.727 23.014) 52.087 4.527 ( -0.000 20.888 -8.780) 22.658 4.895 ( -0.000 1.100 -2.821) 3.028 5.173 ( 0.000 33.854 -4.195) 34.113 6.765 ( -0.000 -6.444 -1.376) 6.589 7.787 ( -0.000 -5.290 -2.214) 5.735 8.331 ( 0.000 3.970 11.889) 12.534 9.062 ( 0.000 8.513 2.954) 9.011 10.463 ( -0.000 26.894 -16.543) 31.575 12.312 ( -0.000 -14.505 0.078) 14.506 13.915 ( 0.000 -8.562 3.846) 9.386 14.701 ( -0.000 21.742 -76.169) 79.212 17.099 ( -0.000 -8.745 -3.876) 9.566 17.991 ( 0.000 7.800 -0.148) 7.801 18.046 ( -0.000 15.356 -3.201) 15.686 19.550 ( 0.000 -31.266 45.912) 55.547 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 12.849 25.686 2.869) 28.864 2.372 ( 15.428 26.839 11.284) 32.950 3.630 ( 6.388 29.246 12.937) 32.612 4.704 ( -3.421 12.154 -0.521) 12.637 4.876 ( 2.726 10.752 -6.199) 12.707 5.687 ( 12.371 39.864 -6.145) 42.189 6.740 ( 2.447 3.379 -3.180) 5.246 7.837 ( 10.110 -3.145 2.623) 10.908 8.371 ( -3.999 3.649 15.634) 16.545 9.157 ( 0.567 10.599 -0.805) 10.645 10.756 ( 8.444 23.929 -14.399) 29.176 12.095 ( -6.602 -16.603 0.185) 17.869 13.807 ( -3.391 -9.832 4.715) 11.420 14.676 ( 2.575 9.301 -59.230) 60.011 16.972 ( -1.504 -12.491 -3.292) 13.005 17.885 ( -9.732 5.016 -0.296) 10.953 18.413 ( 13.887 17.285 -1.972) 22.260 19.341 ( -5.994 -23.652 36.068) 43.546 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 17.716 21.664 -2.046) 28.060 2.957 ( 19.425 22.528 5.300) 30.215 3.880 ( -0.101 3.243 -4.311) 5.396 4.754 ( -1.246 14.155 16.917) 22.093 5.188 ( 10.511 25.783 -12.409) 30.484 6.105 ( 5.694 8.005 -0.002) 9.824 7.033 ( 16.173 28.706 -11.164) 34.788 8.050 ( 9.976 1.003 9.910) 14.097 8.431 ( 3.202 5.403 19.352) 20.345 9.292 ( 2.302 12.414 -3.976) 13.237 11.109 ( 11.629 20.019 -15.388) 27.799 11.785 ( -9.078 -16.141 0.642) 18.530 13.626 ( -8.135 -9.995 6.363) 14.372 14.592 ( 0.170 3.066 -44.182) 44.289 16.753 ( -8.948 -11.764 -2.731) 15.030 17.801 ( -0.639 -3.332 0.187) 3.398 18.794 ( 9.469 16.182 1.193) 18.787 19.129 ( -5.876 -15.898 24.587) 29.863 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 16.115 16.629 -3.030) 23.354 3.493 ( 14.600 17.383 1.291) 22.737 3.752 ( -2.819 -5.352 -13.466) 14.762 5.039 ( 6.255 16.793 20.163) 26.975 5.623 ( 13.533 25.546 -11.324) 31.048 6.153 ( 1.166 -4.249 2.245) 4.945 7.634 ( 20.938 27.574 -10.493) 36.178 8.141 ( -3.831 0.835 13.795) 14.341 8.812 ( 20.801 11.758 16.648) 29.121 9.443 ( 2.321 11.449 -4.761) 12.615 11.333 ( -2.512 -1.927 -8.668) 9.228 11.613 ( 6.961 7.569 -8.224) 13.167 13.372 ( -12.417 -9.530 9.552) 18.337 14.485 ( -0.356 1.128 -31.748) 31.770 16.415 ( -16.479 -9.454 -1.885) 19.092 17.789 ( 7.555 -12.169 0.290) 14.327 18.883 ( -5.640 -10.717 18.304) 21.948 19.158 ( 5.040 14.853 0.227) 15.687 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( -3.188 -5.903 -1.254) 6.825 3.529 ( 5.123 8.206 -4.811) 10.805 4.056 ( 18.513 19.123 -12.010) 29.200 5.369 ( 7.554 11.720 16.884) 21.898 5.968 ( 2.867 5.365 -2.355) 6.523 6.240 ( 13.534 11.291 -4.299) 18.142 8.054 ( -5.604 -0.828 9.843) 11.357 8.232 ( 17.407 20.478 2.572) 26.999 9.339 ( 20.633 10.888 2.023) 23.418 9.549 ( 0.452 6.264 -2.559) 6.781 11.132 ( -8.564 -4.033 -0.918) 9.510 11.931 ( 12.911 16.367 -16.145) 26.368 13.100 ( -12.282 -6.900 14.596) 20.286 14.418 ( 1.805 0.563 -21.453) 21.536 16.001 ( -20.276 -7.703 -1.157) 21.721 17.803 ( 11.747 -19.283 0.435) 22.584 18.726 ( -5.144 -10.025 12.126) 16.553 19.378 ( 0.951 17.055 -0.003) 17.081 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( -6.455 -11.497 -1.998) 13.336 3.747 ( 5.068 10.593 -1.166) 11.801 4.506 ( 15.676 18.223 -12.061) 26.894 5.613 ( 4.277 5.703 11.747) 13.741 5.952 ( 0.569 -5.117 1.208) 5.288 6.684 ( 17.573 17.721 -4.598) 25.377 7.915 ( -9.259 -3.620 8.578) 13.130 8.725 ( 13.487 15.572 7.927) 22.073 9.550 ( -1.786 -2.755 1.190) 3.492 9.728 ( 16.420 8.731 -16.677) 24.979 11.003 ( -7.851 7.000 -0.636) 10.538 12.147 ( 0.087 5.725 -4.711) 7.415 12.999 ( -0.198 4.352 12.475) 13.214 14.429 ( 5.339 0.378 -13.115) 14.165 15.571 ( -20.333 -6.344 -0.752) 21.313 17.807 ( 13.622 -24.426 0.701) 27.977 18.590 ( -3.735 -7.759 6.265) 10.649 19.529 ( -3.269 17.204 0.313) 17.514 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -1.475 -9.776 -0.448) 9.896 3.889 ( 0.320 8.966 0.359) 8.979 4.869 ( 9.900 16.041 -9.024) 20.899 5.678 ( -1.167 -2.703 5.760) 6.469 5.951 ( 3.062 -3.117 1.315) 4.562 7.098 ( 12.987 9.616 0.179) 16.160 7.753 ( -8.074 0.441 3.269) 8.722 8.982 ( 0.944 5.374 3.674) 6.578 9.448 ( -3.319 -9.432 3.270) 10.520 10.053 ( 17.143 13.530 -24.585) 32.885 10.974 ( -8.521 14.854 -1.236) 17.169 12.058 ( -8.372 -6.332 16.034) 19.164 13.196 ( 5.517 12.508 3.221) 14.045 14.522 ( 7.895 1.141 -6.601) 10.354 15.193 ( -15.496 -4.806 -0.753) 16.242 17.795 ( 14.834 -27.374 0.955) 31.149 18.482 ( -2.339 -5.732 1.592) 6.392 19.614 ( -6.700 16.959 0.454) 18.240 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 5.194 -6.679 0.889) 8.507 3.943 ( -4.184 7.971 1.176) 9.079 5.092 ( 0.716 13.442 -4.455) 14.179 5.600 ( -2.499 -8.063 1.637) 8.599 5.958 ( 1.109 -3.798 -0.145) 3.960 7.228 ( 0.359 -8.038 2.689) 8.483 7.748 ( -2.369 14.491 1.817) 14.795 8.921 ( -8.715 -1.258 -6.030) 10.672 9.311 ( 0.914 -10.495 -0.552) 10.549 10.374 ( 7.669 14.369 -19.703) 25.563 10.987 ( -7.917 17.603 -0.481) 19.307 11.933 ( -1.985 -9.423 23.973) 25.834 13.337 ( -4.506 8.747 1.672) 9.981 14.647 ( 4.512 1.145 -1.726) 4.965 15.005 ( -0.068 0.295 -1.225) 1.262 17.786 ( 15.824 -28.010 1.015) 32.186 18.404 ( -1.019 -3.930 -1.766) 4.427 19.641 ( -9.385 16.031 0.476) 18.582 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 11.383 -3.264 1.654) 11.957 3.909 ( -8.939 6.962 1.302) 11.405 5.120 ( -10.472 10.008 -0.992) 14.519 5.426 ( -6.549 -11.134 -3.353) 13.345 5.934 ( 2.277 -5.847 1.545) 6.462 7.069 ( -7.283 -9.626 -0.028) 12.071 7.851 ( -5.063 12.862 6.734) 15.376 8.661 ( -12.685 -4.769 -10.920) 17.403 9.320 ( 8.737 -4.140 -3.133) 10.163 10.358 ( -14.345 3.792 -11.177) 18.577 11.047 ( -6.350 16.108 0.975) 17.342 12.022 ( 12.907 -3.547 16.139) 20.968 13.204 ( -17.179 1.888 3.784) 17.691 14.687 ( 3.565 -1.982 0.493) 4.108 15.200 ( 13.887 9.579 -0.554) 16.880 17.789 ( 15.803 -26.780 0.793) 31.106 18.358 ( 0.227 -2.304 -3.581) 4.264 19.612 ( -11.514 14.194 0.402) 18.281 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 14.221 -0.721 1.525) 14.321 3.776 ( -13.791 5.010 1.004) 14.707 4.892 ( -22.034 3.324 -8.650) 23.903 5.173 ( -8.782 -10.538 4.301) 14.376 5.940 ( 3.824 -4.791 1.968) 6.438 6.789 ( -15.360 -7.383 -0.572) 17.052 7.875 ( -6.760 9.198 6.742) 13.257 8.376 ( -9.309 -6.064 -7.746) 13.544 9.446 ( 5.746 1.668 -5.020) 7.810 9.940 ( -28.056 -5.104 -4.235) 28.829 11.086 ( -2.958 9.149 2.431) 9.918 12.340 ( 16.078 4.368 -1.655) 16.743 12.868 ( -19.750 -3.690 11.457) 23.129 14.775 ( 8.217 -1.278 1.032) 8.380 15.594 ( 17.384 13.081 0.161) 21.756 17.796 ( 13.987 -24.202 0.383) 27.956 18.345 ( 1.440 -0.846 -3.426) 3.811 19.527 ( -13.353 11.433 0.237) 17.581 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( -1.985 -0.544 0.240) 2.072 3.581 ( -7.905 3.041 0.477) 8.484 4.447 ( -22.677 -0.764 -15.810) 27.654 4.915 ( -13.942 -9.463 14.448) 22.196 5.980 ( 3.323 -0.799 0.570) 3.464 6.390 ( -22.034 -6.108 -1.119) 22.892 7.850 ( -7.040 6.500 2.932) 10.020 8.198 ( -3.050 -5.202 0.163) 6.032 9.143 ( -39.752 -7.180 -5.822) 40.813 9.609 ( -3.575 2.310 -0.475) 4.283 11.192 ( 7.689 3.889 1.629) 8.770 12.270 ( -22.328 -0.933 -9.716) 24.368 12.882 ( 16.255 1.240 13.249) 21.007 14.944 ( 11.696 0.076 -1.720) 11.822 16.038 ( 18.364 12.602 0.374) 22.275 17.789 ( 10.632 -19.887 -0.024) 22.551 18.371 ( 2.738 0.370 -0.538) 2.814 19.377 ( -15.201 7.949 -0.019) 17.154 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( -24.158 -2.094 0.286) 24.251 3.451 ( -21.547 3.153 -3.483) 22.053 4.164 ( -1.122 -0.158 -17.453) 17.490 4.595 ( -17.344 -9.017 21.924) 29.373 5.868 ( -25.907 -0.992 -1.737) 25.984 6.086 ( 2.673 -1.314 -0.825) 3.091 7.775 ( -9.104 1.606 -0.754) 9.275 8.143 ( -0.146 -4.674 2.081) 5.118 8.276 ( -46.442 -2.550 1.448) 46.534 9.531 ( -8.793 1.891 -0.569) 9.012 11.439 ( 16.763 1.196 0.301) 16.808 11.794 ( -25.961 -2.250 -5.204) 26.573 13.234 ( 17.434 1.666 5.285) 18.294 15.154 ( 13.887 0.349 -10.189) 17.227 16.462 ( 17.796 8.117 0.051) 19.559 17.775 ( 6.704 -12.172 -0.183) 13.897 18.448 ( 4.317 1.164 6.210) 7.652 19.157 ( -17.179 4.127 -0.314) 17.671 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -29.567 1.320 1.471) 29.633 2.944 ( -35.543 3.345 -1.753) 35.743 3.957 ( -24.598 -0.422 -3.210) 24.810 4.477 ( 7.053 -4.083 9.706) 12.674 5.365 ( -27.122 -1.598 -5.194) 27.661 6.103 ( -5.634 0.471 0.099) 5.654 7.222 ( -40.998 -0.883 -6.766) 41.562 7.912 ( -2.322 3.363 3.923) 5.665 8.137 ( -2.420 0.364 9.523) 9.832 9.345 ( -12.234 -1.456 -1.397) 12.399 11.316 ( -25.009 0.099 -5.782) 25.669 11.773 ( 19.541 0.114 0.491) 19.547 13.531 ( 14.660 -1.039 2.920) 14.984 15.341 ( 13.749 -0.932 -26.324) 29.713 16.792 ( 15.641 -0.778 -1.096) 15.699 17.798 ( 3.304 0.535 0.126) 3.350 18.584 ( 5.039 0.905 15.915) 16.718 18.872 ( -17.233 0.676 1.685) 17.329 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 0.000 28.166 -1.834) 28.225 2.531 ( 0.000 24.657 11.417) 27.172 3.854 ( 0.000 16.356 3.777) 16.786 4.908 ( 0.000 7.399 10.474) 12.824 4.954 ( -0.000 27.074 -10.284) 28.962 5.929 ( 0.000 26.833 -3.711) 27.088 6.817 ( -0.000 23.001 -6.563) 23.920 7.729 ( 0.000 -0.596 3.727) 3.774 8.499 ( 0.000 3.386 17.878) 18.195 9.224 ( 0.000 6.542 -0.581) 6.568 10.895 ( -0.000 25.883 -15.223) 30.028 11.981 ( -0.000 -18.249 0.104) 18.249 13.738 ( 0.000 -11.208 4.521) 12.085 14.577 ( -0.000 8.934 -50.638) 51.420 16.809 ( -0.000 -17.248 -2.624) 17.446 18.164 ( 0.000 9.336 -0.036) 9.336 18.356 ( 0.000 16.090 -2.432) 16.273 19.256 ( 0.000 -23.567 31.265) 39.152 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 8.738 27.010 -5.492) 28.914 2.905 ( 12.303 20.468 7.741) 25.104 3.916 ( -2.635 0.265 -6.045) 6.600 5.027 ( -3.667 17.530 17.673) 25.161 5.263 ( 6.650 27.136 -11.352) 30.157 6.095 ( 2.158 3.205 0.384) 3.883 7.169 ( 4.297 41.172 -12.497) 43.241 7.881 ( 13.027 4.328 8.580) 16.189 8.560 ( -3.019 3.936 20.852) 21.434 9.318 ( 4.071 6.611 -2.836) 8.266 11.139 ( 4.712 23.534 -15.981) 28.835 11.744 ( -5.350 -18.049 0.397) 18.829 13.627 ( -2.239 -10.528 5.871) 12.260 14.505 ( -0.524 6.045 -40.567) 41.019 16.631 ( 1.180 -19.100 -2.323) 19.277 18.011 ( -17.533 7.157 -0.151) 18.938 18.728 ( 15.662 14.530 -0.405) 21.368 19.098 ( -2.665 -19.954 24.227) 31.500 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( 11.967 23.381 -6.742) 27.117 3.375 ( 17.453 16.879 2.560) 24.415 3.757 ( -7.515 -6.545 -9.531) 13.790 5.233 ( -0.349 17.283 19.311) 25.918 5.647 ( 10.443 27.077 -11.164) 31.094 6.106 ( -0.192 -3.507 1.932) 4.008 7.626 ( 10.307 31.837 -10.561) 35.091 8.195 ( 6.806 5.374 11.226) 14.186 8.705 ( 8.600 9.892 17.178) 21.607 9.462 ( 5.123 7.021 -3.640) 9.423 11.361 ( -1.126 7.477 -10.306) 12.783 11.538 ( 3.454 -0.287 -5.758) 6.721 13.478 ( -6.832 -8.570 8.733) 14.014 14.421 ( -1.328 3.732 -31.214) 31.464 16.435 ( -2.057 -18.314 -1.727) 18.510 17.777 ( -13.239 0.436 0.253) 13.248 18.899 ( -4.035 -14.801 18.517) 24.047 19.143 ( 12.420 12.547 -0.488) 17.662 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( 0.958 0.806 -2.387) 2.695 3.561 ( -0.720 9.696 -8.092) 12.650 3.867 ( 19.369 15.637 -6.813) 25.809 5.460 ( 2.579 12.078 16.671) 20.747 6.034 ( -2.858 5.706 -0.900) 6.445 6.101 ( 13.778 14.981 -5.229) 21.015 8.083 ( 11.002 17.259 -1.905) 20.556 8.265 ( -0.935 4.928 14.478) 15.322 9.102 ( 17.717 9.261 -0.797) 20.007 9.587 ( 2.171 5.893 -1.321) 6.417 11.233 ( -5.604 -1.803 0.686) 5.926 11.811 ( 13.221 16.820 -15.033) 26.148 13.282 ( -10.753 -5.587 12.033) 17.077 14.347 ( -0.351 2.194 -22.560) 22.670 16.171 ( -9.147 -14.335 -0.775) 17.023 17.576 ( -5.028 -9.068 0.417) 10.377 18.732 ( -4.171 -12.880 12.540) 18.454 19.454 ( 7.923 13.610 -0.160) 15.749 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( -8.234 -12.460 -1.986) 15.066 3.802 ( 4.733 18.979 -3.999) 19.965 4.330 ( 19.187 14.900 -10.091) 26.305 5.657 ( 3.164 6.977 12.608) 14.753 5.946 ( -4.176 -3.864 1.965) 6.019 6.553 ( 15.850 19.322 -4.147) 25.334 8.066 ( -8.947 -3.654 8.748) 13.036 8.661 ( 15.962 16.500 8.825) 24.596 9.404 ( 14.114 -0.257 -14.136) 19.978 9.641 ( -1.027 5.697 -1.970) 6.115 11.198 ( -3.657 9.853 0.666) 10.531 12.131 ( 8.643 11.024 -7.236) 15.766 13.119 ( -6.852 0.131 11.518) 13.402 14.323 ( 2.592 1.688 -14.729) 15.051 15.835 ( -15.740 -8.694 0.083) 17.981 17.422 ( 2.967 -18.794 0.604) 19.036 18.584 ( -3.338 -9.980 7.105) 12.697 19.685 ( 3.135 13.483 0.166) 13.844 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -4.650 -11.668 -0.672) 12.578 4.017 ( 0.111 16.851 -0.501) 16.859 4.754 ( 16.719 13.539 -10.006) 23.726 5.732 ( -4.351 -0.600 6.257) 7.644 5.882 ( 2.022 -2.723 3.110) 4.601 6.965 ( 13.201 10.391 1.135) 16.838 7.904 ( -7.689 0.309 3.239) 8.349 8.995 ( 5.591 3.902 4.878) 8.383 9.443 ( -2.896 -8.759 5.586) 10.785 9.809 ( 16.191 15.982 -25.102) 33.878 11.273 ( -5.477 18.607 -0.677) 19.408 12.189 ( -6.762 -3.288 11.976) 14.141 13.186 ( 6.636 7.058 1.450) 9.796 14.388 ( 6.503 3.073 -8.176) 10.889 15.473 ( -18.870 -2.831 0.468) 19.087 17.305 ( 9.286 -26.002 0.957) 27.627 18.464 ( -2.297 -7.330 2.745) 8.157 19.835 ( -1.198 13.103 0.312) 13.161 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 1.729 -9.215 0.424) 9.386 4.142 ( -4.452 15.275 1.895) 16.023 5.103 ( 11.460 12.184 -7.473) 18.320 5.596 ( -6.198 -7.927 3.705) 10.722 5.910 ( 1.103 -2.106 0.191) 2.386 7.139 ( 2.436 -6.256 5.471) 8.660 7.916 ( 0.466 14.785 -0.727) 14.810 8.995 ( -3.667 -3.426 -5.315) 7.310 9.257 ( -6.369 -10.569 2.650) 12.621 10.257 ( 18.004 21.045 -20.232) 34.298 11.339 ( -9.462 20.336 -0.849) 22.445 12.005 ( -9.928 -11.415 23.857) 28.250 13.379 ( 7.014 3.359 -2.485) 8.164 14.546 ( 8.252 4.376 -3.483) 9.969 15.165 ( -15.404 3.960 0.163) 15.906 17.236 ( 14.291 -29.004 1.269) 32.358 18.376 ( -1.205 -4.940 -0.322) 5.095 19.909 ( -4.973 12.107 0.360) 13.093 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 8.953 -5.849 1.023) 10.743 4.177 ( -9.096 13.370 2.944) 16.436 5.322 ( 1.597 10.704 -7.078) 12.932 5.403 ( -6.154 -10.437 3.166) 12.523 5.865 ( -1.152 -5.310 -0.459) 5.453 7.046 ( -2.563 -10.181 3.206) 10.978 8.098 ( -2.368 16.976 4.988) 17.852 8.782 ( -11.257 -6.539 -12.396) 17.976 9.145 ( 4.337 -5.498 0.441) 7.017 10.559 ( -2.142 15.740 -17.885) 23.921 11.375 ( -8.567 19.544 0.086) 21.340 11.853 ( 1.419 -14.059 24.671) 28.431 13.420 ( -3.951 -1.130 -0.913) 4.209 14.640 ( 0.432 -1.232 -0.718) 1.490 15.136 ( 3.548 13.638 -0.736) 14.112 17.233 ( 17.382 -27.222 1.241) 32.323 18.322 ( -0.096 -2.796 -1.850) 3.354 19.908 ( -8.169 10.224 0.336) 13.091 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 14.550 -2.791 0.986) 14.848 4.101 ( -14.183 9.353 2.655) 17.195 5.150 ( -9.343 -8.472 -12.365) 17.662 5.319 ( -13.041 6.062 6.719) 15.873 5.827 ( 4.085 -5.545 2.207) 7.233 6.894 ( -6.198 -7.300 0.790) 9.608 8.158 ( -9.452 11.958 10.505) 18.512 8.459 ( -11.691 -7.521 -12.552) 18.730 9.284 ( 12.282 1.798 -2.537) 12.670 10.357 ( -23.814 2.649 -9.095) 25.629 11.346 ( -13.363 10.915 2.103) 17.382 12.032 ( 20.639 -3.298 9.921) 23.136 13.207 ( -17.577 -3.084 2.239) 17.985 14.642 ( 4.185 -1.947 -0.991) 4.721 15.447 ( 13.864 13.615 -0.283) 19.433 17.297 ( 17.397 -21.435 0.847) 27.620 18.306 ( 1.061 -0.943 -1.525) 2.083 19.832 ( -10.826 7.429 0.248) 13.132 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 16.028 -0.955 0.196) 16.057 3.886 ( -18.246 3.055 1.545) 18.565 4.801 ( -20.361 0.981 -21.440) 29.584 5.121 ( -13.881 -3.933 18.319) 23.318 5.891 ( 5.757 -1.347 1.523) 6.106 6.661 ( -14.883 -3.863 -1.093) 15.415 8.109 ( -11.978 7.348 8.118) 16.228 8.196 ( -5.045 -5.816 -5.277) 9.334 9.501 ( 5.966 5.836 -4.317) 9.396 9.821 ( -32.141 -4.278 -2.075) 32.490 11.225 ( -6.881 2.633 1.683) 7.557 12.399 ( 14.381 4.569 -7.883) 17.024 12.838 ( -16.750 -6.323 11.401) 21.225 14.743 ( 9.327 -0.967 -3.712) 10.085 15.835 ( 17.277 8.408 0.058) 19.215 17.407 ( 14.604 -12.298 0.403) 19.096 18.332 ( 2.367 0.498 1.074) 2.647 19.683 ( -13.093 3.916 0.112) 13.666 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( -2.537 -0.204 -0.217) 2.554 3.614 ( -7.895 -0.681 0.246) 7.928 4.363 ( -23.880 4.964 -20.604) 31.929 4.889 ( -15.661 -4.001 20.416) 26.040 5.993 ( 5.807 -0.118 0.973) 5.889 6.295 ( -23.500 -0.029 -3.876) 23.818 7.956 ( -8.516 -1.052 5.153) 10.009 8.125 ( -3.419 0.209 -0.644) 3.485 9.083 ( -43.276 3.174 0.681) 43.398 9.632 ( -1.028 -0.013 -0.883) 1.355 11.227 ( 6.669 -1.072 0.013) 6.754 12.225 ( -25.239 2.844 -10.098) 27.333 12.923 ( 19.027 -4.372 9.357) 21.649 14.897 ( 11.318 -0.812 -10.287) 15.316 16.188 ( 18.264 -0.285 -0.284) 18.268 17.564 ( 10.613 0.103 0.286) 10.617 18.408 ( 4.020 1.282 6.408) 7.672 19.458 ( -15.170 0.021 -0.055) 15.170 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( -23.064 3.201 1.466) 23.332 3.486 ( -19.537 0.737 0.427) 19.556 4.091 ( -2.465 4.751 -20.438) 21.127 4.632 ( -18.028 -0.602 21.073) 27.739 5.811 ( -26.230 -0.892 -7.229) 27.222 6.113 ( 2.377 2.790 1.793) 4.081 7.802 ( -18.414 3.200 -2.345) 18.837 7.977 ( -7.496 -5.883 -2.218) 9.784 8.497 ( -29.390 11.982 15.646) 35.385 9.514 ( -9.803 -2.609 -2.390) 10.422 11.419 ( 15.775 -2.071 -1.955) 16.030 11.780 ( -24.877 3.972 -6.408) 25.995 13.226 ( 18.052 -5.383 4.470) 19.360 15.032 ( 11.103 -1.844 -21.310) 24.100 16.448 ( 17.412 -8.955 -1.343) 19.626 17.782 ( 6.871 12.576 0.454) 14.338 18.540 ( 6.099 0.935 14.452) 15.714 19.159 ( -16.908 -3.768 -0.050) 17.323 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -0.000 28.241 -7.641) 29.257 3.016 ( 0.000 17.905 7.893) 19.568 3.904 ( -0.000 -3.517 -8.784) 9.462 5.285 ( 0.000 15.527 17.181) 23.158 5.448 ( -0.000 28.530 -11.058) 30.598 6.096 ( 0.000 0.364 0.964) 1.031 7.565 ( -0.000 45.992 -14.085) 48.100 7.814 ( 0.000 4.264 10.230) 11.083 8.706 ( 0.000 5.024 23.036) 23.578 9.310 ( -0.000 3.640 -4.188) 5.549 11.287 ( -0.000 23.051 -15.843) 27.970 11.603 ( -0.000 -19.108 0.136) 19.109 13.567 ( 0.000 -8.019 6.245) 10.164 14.457 ( -0.000 6.329 -34.016) 34.600 16.403 ( -0.000 -21.257 -2.267) 21.378 18.353 ( 0.000 9.245 0.094) 9.246 18.630 ( 0.000 12.008 -0.791) 12.034 18.992 ( 0.000 -19.666 21.205) 28.920 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 5.941 24.706 -7.814) 26.584 3.296 ( 10.356 14.730 5.222) 18.748 3.787 ( -5.082 -3.856 -10.057) 11.910 5.459 ( -1.280 11.482 16.014) 19.747 5.744 ( 5.363 27.237 -9.800) 29.439 6.108 ( -0.315 1.733 1.171) 2.115 7.817 ( -1.157 23.282 -3.290) 23.542 8.125 ( 12.616 14.721 3.573) 19.714 8.813 ( -2.236 9.153 17.419) 19.804 9.394 ( 6.713 3.827 -3.665) 8.552 11.388 ( -2.853 -14.078 -0.187) 14.365 11.497 ( 4.262 19.260 -14.596) 24.539 13.511 ( -2.262 -4.651 8.508) 9.957 14.402 ( -1.735 5.250 -27.884) 28.427 16.201 ( 2.325 -22.126 -1.998) 22.337 18.152 ( -22.312 6.585 0.200) 23.265 18.847 ( -1.971 -16.927 16.971) 24.051 18.987 ( 18.000 10.392 -0.441) 20.789 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( 0.797 1.598 -3.844) 4.238 3.668 ( 9.810 11.751 4.350) 15.914 3.696 ( 4.481 16.091 -15.387) 22.711 5.583 ( 0.425 6.156 13.216) 14.586 6.043 ( 1.943 7.756 0.635) 8.021 6.174 ( 3.766 20.552 -5.526) 21.612 8.080 ( 8.178 16.032 0.621) 18.008 8.356 ( 1.235 2.328 13.857) 14.105 8.957 ( 6.036 8.097 -4.554) 11.079 9.570 ( 6.930 6.824 -0.308) 9.730 11.241 ( 0.236 -8.091 0.887) 8.143 11.766 ( 8.050 21.010 -12.502) 25.740 13.433 ( -6.888 -1.723 10.563) 12.728 14.331 ( -2.244 3.900 -21.914) 22.371 16.019 ( 2.438 -21.785 -1.172) 21.952 17.803 ( -22.162 1.569 0.463) 22.222 18.694 ( -2.692 -14.255 11.979) 18.813 19.377 ( 14.586 10.179 -0.015) 17.787 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( -8.624 -11.703 -2.327) 14.722 3.932 ( 4.088 24.568 -5.030) 25.409 4.099 ( 19.055 12.072 -7.146) 23.662 5.692 ( 3.003 2.370 10.483) 11.159 6.014 ( -5.547 -0.974 2.851) 6.312 6.540 ( 9.322 24.045 -3.878) 26.079 8.197 ( -6.416 -2.993 7.676) 10.442 8.560 ( 14.010 9.488 11.827) 20.644 9.119 ( 11.567 0.274 -14.888) 18.855 9.714 ( 0.685 7.563 -1.950) 7.840 11.264 ( 5.194 3.011 -0.140) 6.006 12.092 ( 8.518 18.499 -5.521) 21.101 13.305 ( -10.135 0.175 9.144) 13.651 14.282 ( -0.235 3.601 -15.186) 15.609 15.837 ( -0.044 -18.388 0.063) 18.388 17.432 ( -18.132 -5.759 0.518) 19.032 18.552 ( -2.559 -11.109 7.393) 13.587 19.689 ( 9.882 9.804 0.141) 13.921 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( -7.911 -11.330 -1.047) 13.858 4.205 ( 0.962 22.285 -1.134) 22.335 4.524 ( 19.445 10.732 -8.948) 23.945 5.794 ( 2.901 0.902 6.522) 7.195 5.878 ( -7.052 -5.016 3.125) 9.201 6.899 ( 8.587 15.313 0.901) 17.579 8.041 ( -7.512 -1.498 3.039) 8.240 8.875 ( 10.796 -2.804 5.660) 12.508 9.307 ( 12.238 -1.038 -1.282) 12.349 9.756 ( 0.348 11.876 -13.951) 18.325 11.452 ( 5.635 13.264 -1.213) 14.462 12.308 ( -1.833 7.896 7.312) 10.916 13.188 ( -3.861 0.466 0.816) 3.973 14.318 ( 3.651 5.897 -8.450) 10.932 15.656 ( -4.804 -9.431 1.058) 10.637 17.076 ( -10.376 -15.769 0.587) 18.885 18.434 ( -1.989 -8.044 3.560) 9.018 19.915 ( 5.084 9.289 0.201) 10.591 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -3.223 -9.160 -0.032) 9.711 4.397 ( -3.405 19.970 1.623) 20.323 4.917 ( 17.600 8.121 -7.581) 20.813 5.667 ( -8.913 -7.663 2.884) 12.103 5.872 ( 2.364 -0.966 2.065) 3.284 7.080 ( 1.409 -0.628 5.063) 5.293 8.027 ( 1.330 11.875 -2.017) 12.118 8.924 ( 3.240 -9.020 -2.834) 9.994 9.302 ( -6.727 -8.593 5.380) 12.168 10.077 ( 19.684 21.697 -16.163) 33.458 11.638 ( -2.403 14.825 -1.221) 15.068 12.221 ( -14.513 -0.661 18.467) 23.497 13.202 ( 7.892 -4.776 -5.918) 10.960 14.462 ( 6.468 7.362 -3.841) 10.525 15.499 ( -11.439 5.900 0.992) 12.909 16.787 ( 2.005 -26.220 0.952) 26.314 18.346 ( -1.210 -5.198 0.817) 5.399 20.051 ( 0.466 8.221 0.220) 8.237 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 3.851 -5.912 0.459) 7.071 4.491 ( -8.084 16.533 3.059) 18.656 5.212 ( 10.673 0.306 -6.019) 12.257 5.464 ( -4.954 -4.300 2.811) 7.137 5.865 ( -2.238 -1.799 -0.953) 3.026 7.015 ( -3.309 -7.387 4.192) 9.115 8.262 ( 5.185 18.307 0.727) 19.041 8.813 ( -4.093 -9.081 -8.733) 13.247 9.093 ( -5.843 -7.493 3.856) 10.255 10.589 ( 15.705 22.881 -17.286) 32.696 11.607 ( -7.585 -2.281 7.460) 10.881 12.006 ( -17.382 3.396 15.261) 23.379 13.293 ( 10.635 -7.485 -4.444) 13.744 14.605 ( 3.665 2.127 -1.362) 4.451 15.400 ( -13.228 18.477 -0.041) 22.724 16.666 ( 15.734 -28.092 1.288) 32.224 18.294 ( -0.306 -2.658 -0.565) 2.734 20.096 ( -3.793 6.293 0.207) 7.351 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 10.897 -2.648 0.398) 11.221 4.445 ( -13.358 8.388 2.401) 15.955 5.146 ( -4.244 -7.420 -4.673) 9.742 5.548 ( 2.847 8.752 0.789) 9.237 5.748 ( -5.498 -5.992 0.688) 8.161 6.907 ( -2.802 -4.922 2.681) 6.266 8.462 ( -5.038 14.474 8.781) 17.663 8.541 ( -11.434 -8.702 -12.776) 19.227 9.081 ( 9.435 -2.003 1.863) 9.823 10.752 ( -16.102 14.213 -17.959) 27.997 11.625 ( 16.059 -5.660 11.244) 20.405 11.758 ( -17.205 -0.406 8.709) 19.288 13.338 ( -0.090 -3.477 -1.766) 3.901 14.609 ( -1.646 -0.761 -1.172) 2.159 15.442 ( 0.011 12.635 -0.044) 12.635 16.776 ( 21.212 -16.030 0.898) 26.603 18.280 ( 0.714 -0.539 -0.370) 0.968 20.047 ( -7.506 3.458 0.160) 8.266 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 15.488 -0.578 -0.280) 15.502 4.210 ( -17.000 -2.002 0.165) 17.119 4.997 ( -8.579 2.805 -10.422) 13.787 5.445 ( -17.590 0.603 8.694) 19.631 5.764 ( 7.900 -1.098 1.355) 8.090 6.821 ( -6.175 -0.145 1.482) 6.352 8.219 ( -10.006 -8.640 -10.919) 17.146 8.455 ( -12.060 9.929 12.965) 20.301 9.318 ( 14.920 1.446 0.166) 14.991 10.355 ( -29.958 3.173 -8.901) 31.413 11.449 ( -16.429 -2.136 1.192) 16.611 12.019 ( 25.798 -3.178 3.967) 26.294 13.161 ( -17.247 -0.967 0.331) 17.277 14.606 ( 3.658 -0.095 -3.459) 5.035 15.620 ( 11.992 0.215 0.417) 12.001 17.051 ( 18.974 -0.421 0.365) 18.982 18.307 ( 1.906 0.985 1.583) 2.667 19.907 ( -10.571 -0.095 0.094) 10.571 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 16.031 -0.174 -1.385) 16.091 3.864 ( -17.514 -4.698 -0.991) 18.160 4.762 ( -20.145 6.808 -18.390) 28.114 5.196 ( -14.910 -0.246 19.234) 24.338 5.888 ( 6.287 0.150 1.121) 6.388 6.654 ( -16.144 4.121 -1.846) 16.764 7.986 ( -3.949 -8.356 -3.378) 9.840 8.359 ( -13.216 7.573 10.389) 18.438 9.548 ( 9.261 -1.404 0.863) 9.406 9.803 ( -34.864 5.882 -4.483) 35.640 11.199 ( -6.561 -5.240 -0.887) 8.443 12.398 ( 17.106 -0.285 -8.674) 19.182 12.797 ( -18.992 -3.112 7.986) 20.837 14.696 ( 7.681 0.321 -8.259) 11.283 15.834 ( 16.881 -8.572 -0.004) 18.933 17.406 ( 14.863 12.034 0.298) 19.126 18.377 ( 3.383 1.664 5.394) 6.581 19.682 ( -13.055 -4.034 0.033) 13.664 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( 1.398 0.487 -0.580) 1.590 3.572 ( -7.184 -2.108 -0.694) 7.519 4.361 ( -24.155 5.812 -17.545) 30.415 5.019 ( -15.940 4.079 18.394) 24.679 5.981 ( 2.502 0.324 0.331) 2.545 6.344 ( -22.175 5.979 -5.201) 23.548 7.886 ( -0.009 -6.737 6.265) 9.200 8.203 ( -15.258 5.629 0.793) 16.282 9.255 ( -35.000 10.769 5.608) 37.046 9.598 ( -3.382 -2.021 -1.731) 4.303 11.159 ( 8.473 -4.618 -1.689) 9.796 12.237 ( -24.118 4.839 -13.272) 27.950 12.844 ( 18.781 -8.603 9.776) 22.855 14.796 ( 7.722 -0.447 -15.849) 17.636 16.024 ( 17.753 -13.078 -1.061) 22.075 17.794 ( 10.939 19.860 0.452) 22.678 18.492 ( 5.231 1.139 10.883) 12.129 19.378 ( -15.069 -7.915 0.011) 17.021 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( -0.000 17.250 -6.122) 18.304 3.359 ( 0.000 12.539 5.264) 13.599 3.790 ( -0.000 3.670 -11.332) 11.912 5.600 ( 0.000 5.208 13.871) 14.816 5.940 ( -0.000 27.358 -9.821) 29.068 6.153 ( 0.000 5.543 1.067) 5.644 7.989 ( 0.000 4.119 12.760) 13.409 8.191 ( -0.000 21.866 -7.930) 23.259 9.020 ( 0.000 13.660 13.690) 19.339 9.331 ( -0.000 2.480 -5.489) 6.024 11.234 ( -0.000 -17.490 -0.122) 17.491 11.629 ( -0.000 21.122 -12.459) 24.523 13.538 ( 0.000 0.446 9.593) 9.603 14.390 ( -0.000 5.220 -24.123) 24.681 15.947 ( -0.000 -22.500 -2.264) 22.613 18.527 ( 0.000 7.909 0.171) 7.911 18.740 ( 0.000 -15.366 12.421) 19.758 18.823 ( 0.000 6.366 1.777) 6.609 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( -0.725 -2.008 -3.865) 4.416 3.570 ( 9.166 10.089 3.210) 14.004 3.857 ( -0.297 21.180 -11.398) 24.054 5.659 ( -1.101 1.766 10.771) 10.971 6.159 ( -2.606 10.734 0.225) 11.048 6.276 ( 6.089 21.313 -5.972) 22.956 8.093 ( 4.653 3.880 8.141) 10.148 8.369 ( 3.320 5.574 5.450) 8.473 9.059 ( -8.583 8.691 -3.540) 12.718 9.490 ( 10.519 8.287 -0.710) 13.410 11.092 ( 3.037 -13.683 -0.502) 14.025 11.847 ( 4.438 21.986 -8.391) 23.948 13.565 ( -3.627 3.499 10.428) 11.582 14.349 ( -2.123 4.661 -20.293) 20.929 15.737 ( 2.487 -22.576 -1.931) 22.794 18.268 ( -25.502 4.712 0.359) 25.936 18.622 ( -1.164 -13.863 10.553) 17.462 19.162 ( 19.578 6.881 0.366) 20.755 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( -6.839 -9.742 -2.767) 12.221 3.882 ( 15.256 8.121 -0.019) 17.283 4.112 ( 3.631 27.111 -8.764) 28.722 5.691 ( 0.649 -0.001 8.391) 8.416 6.132 ( -6.307 1.329 1.678) 6.660 6.638 ( 7.830 25.186 -3.608) 26.621 8.229 ( 3.505 -2.914 4.583) 6.463 8.463 ( 5.168 -1.831 13.789) 14.839 8.995 ( -1.078 4.893 -11.378) 12.432 9.733 ( 6.102 8.951 -2.457) 11.109 11.096 ( 10.022 -6.247 -1.743) 11.937 12.162 ( 7.236 22.561 -2.783) 23.855 13.520 ( -9.436 3.073 7.879) 12.671 14.300 ( -1.919 5.269 -14.809) 15.835 15.569 ( 4.520 -22.208 -0.776) 22.677 17.835 ( -27.625 1.086 0.448) 27.650 18.500 ( -1.615 -10.941 7.098) 13.141 19.544 ( 16.187 6.478 0.214) 17.437 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( -9.212 -9.322 -1.521) 13.193 4.245 ( 17.972 6.399 -1.027) 19.105 4.420 ( 3.518 25.674 -7.050) 26.856 5.743 ( 3.231 -1.071 6.414) 7.261 5.986 ( -8.890 -4.792 1.533) 10.215 6.977 ( 4.308 19.868 0.417) 20.334 8.140 ( -5.611 -4.461 0.976) 7.234 8.629 ( 11.899 -8.347 7.197) 16.219 9.105 ( 10.512 4.731 -2.334) 11.762 9.838 ( -0.793 7.679 -7.124) 10.505 11.311 ( 16.985 2.286 -2.078) 17.264 12.467 ( 2.121 18.093 3.818) 18.613 13.343 ( -13.245 -0.992 0.689) 13.300 14.322 ( 1.249 8.328 -7.931) 11.568 15.459 ( 7.378 -18.973 0.696) 20.369 17.344 ( -27.593 -3.449 0.305) 27.810 18.396 ( -1.503 -7.756 3.933) 8.825 19.847 ( 11.502 5.861 0.126) 12.910 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -7.588 -6.924 -0.488) 10.284 4.600 ( 12.175 9.122 2.803) 15.470 4.689 ( 6.087 17.275 -8.126) 20.038 5.753 ( -9.748 -9.269 1.762) 13.566 5.813 ( 3.879 -1.114 3.024) 5.043 7.129 ( -2.798 5.265 3.387) 6.857 8.100 ( 1.286 8.706 -3.596) 9.507 8.705 ( 8.123 -12.837 2.099) 15.336 9.294 ( 3.683 -3.200 4.589) 6.698 9.949 ( 9.733 13.686 -9.167) 19.133 11.643 ( 13.722 6.057 -1.286) 15.054 12.564 ( -10.611 10.818 11.017) 18.735 13.093 ( -7.464 -7.352 -6.901) 12.546 14.446 ( 3.747 9.337 -3.422) 10.627 15.485 ( 11.845 -7.888 1.324) 14.292 16.818 ( -25.450 -9.678 0.135) 27.228 18.320 ( -1.070 -4.675 1.526) 5.032 20.056 ( 6.469 4.726 0.083) 8.012 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -2.498 -3.592 0.026) 4.375 4.784 ( -5.739 14.803 2.760) 16.115 4.963 ( 15.814 0.222 -4.581) 16.465 5.511 ( -7.128 -7.049 0.825) 10.059 5.862 ( 1.652 -0.645 0.578) 1.865 7.051 ( -5.911 -3.369 2.070) 7.111 8.314 ( 7.672 16.370 -1.562) 18.146 8.683 ( 3.734 -12.565 -0.757) 13.130 9.188 ( -8.721 -4.465 1.397) 9.897 10.383 ( 23.079 14.302 -5.183) 27.641 11.743 ( -7.375 -2.510 1.437) 7.922 12.434 ( -17.726 7.080 8.157) 20.757 12.989 ( 9.183 -7.657 -5.363) 13.104 14.569 ( 3.052 3.836 -1.030) 5.010 15.725 ( 9.697 14.227 0.433) 17.223 16.296 ( -14.883 -21.250 0.321) 25.946 18.277 ( -0.424 -1.927 0.178) 1.981 20.163 ( 1.396 2.764 0.061) 3.098 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 4.479 -0.240 0.038) 4.486 4.704 ( -11.089 -2.581 0.486) 11.396 5.134 ( 2.579 3.077 -1.174) 4.183 5.459 ( 5.564 -0.508 0.353) 5.598 5.847 ( -3.859 0.606 0.079) 3.907 6.934 ( -3.921 -1.984 1.184) 4.551 8.549 ( -2.092 -11.912 -4.657) 12.960 8.623 ( 4.855 15.670 1.320) 16.458 9.021 ( -5.194 -1.771 3.619) 6.574 10.909 ( 19.531 16.774 -11.007) 28.000 11.427 ( -14.755 -15.649 9.379) 23.465 12.128 ( -20.053 -4.381 1.633) 20.591 13.185 ( 12.987 2.733 -1.387) 13.344 14.621 ( 0.668 0.535 -0.439) 0.962 15.709 ( -20.464 0.485 0.070) 20.469 16.270 ( 25.406 -1.076 0.312) 25.430 18.269 ( 0.390 0.283 0.063) 0.486 20.159 ( -3.375 -0.090 0.037) 3.376 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 10.641 1.893 -0.413) 10.816 4.406 ( -13.315 -11.099 -1.563) 17.405 5.157 ( -5.862 9.432 -3.008) 11.505 5.570 ( 6.218 -7.143 2.211) 9.725 5.759 ( -7.548 6.046 2.063) 9.888 6.900 ( -1.454 2.710 2.032) 3.686 8.280 ( -10.571 -10.267 -9.592) 17.583 8.774 ( -7.346 10.073 10.665) 16.406 9.085 ( 11.584 1.021 2.410) 11.876 10.856 ( -27.224 4.788 -12.750) 30.441 11.506 ( 27.710 -7.088 8.983) 29.980 11.709 ( -18.178 -10.813 -0.823) 21.167 13.344 ( -1.630 4.826 -1.124) 5.217 14.602 ( -2.479 1.120 -1.923) 3.331 15.451 ( 0.052 -12.226 0.926) 12.261 16.766 ( 21.471 15.060 -0.102) 26.226 18.296 ( 1.383 1.748 1.248) 2.555 20.046 ( -7.500 -3.657 0.010) 8.344 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 14.045 2.027 -1.326) 14.252 4.057 ( -13.473 -9.507 -1.984) 16.609 5.066 ( -13.109 6.696 -10.984) 18.366 5.471 ( -9.272 -2.540 12.208) 15.539 5.813 ( 3.662 4.691 0.780) 6.002 6.906 ( -6.226 6.931 1.916) 9.512 7.978 ( -7.939 -9.396 -7.629) 14.475 8.708 ( -13.145 6.574 12.911) 19.562 9.333 ( 13.574 -0.352 2.734) 13.851 10.377 ( -27.898 4.634 -8.892) 29.645 11.298 ( -13.675 -11.723 -1.874) 18.109 11.943 ( 25.874 -5.471 1.660) 26.498 13.179 ( -19.314 1.720 -0.773) 19.406 14.600 ( 2.079 2.395 -5.083) 5.991 15.456 ( 13.234 -13.689 0.567) 19.049 17.289 ( 17.798 21.065 0.052) 27.578 18.359 ( 2.595 2.255 3.699) 5.050 19.830 ( -10.785 -7.608 0.008) 13.199 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 14.110 0.274 -2.318) 14.302 3.763 ( -12.166 -3.179 -0.562) 12.588 4.759 ( -21.265 2.165 -13.586) 25.327 5.357 ( -11.031 4.840 14.633) 18.953 5.931 ( 4.662 3.826 0.685) 6.070 6.764 ( -18.814 7.215 -3.125) 20.391 7.818 ( 0.377 -7.440 1.124) 7.533 8.548 ( -15.600 4.813 9.754) 19.018 9.516 ( 6.180 -1.213 2.500) 6.776 9.943 ( -27.727 9.597 -5.114) 29.783 11.034 ( -2.374 -9.219 -2.518) 9.847 12.275 ( 17.835 -6.148 -7.420) 20.272 12.814 ( -20.027 -0.169 5.482) 20.764 14.661 ( 3.974 2.227 -10.091) 11.072 15.585 ( 16.564 -13.533 -0.661) 21.400 17.796 ( 14.397 24.070 0.334) 28.049 18.453 ( 4.038 1.576 7.215) 8.418 19.525 ( -13.245 -11.543 0.062) 17.569 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( -0.000 -6.000 -3.318) 6.857 3.591 ( 0.000 7.998 3.333) 8.665 4.048 ( -0.000 23.735 -9.502) 25.566 5.724 ( 0.000 1.635 9.698) 9.835 6.270 ( -0.000 3.963 -0.623) 4.012 6.421 ( -0.000 26.019 -6.454) 26.808 8.059 ( 0.000 -5.232 7.897) 9.473 8.410 ( 0.000 3.051 6.337) 7.033 9.321 ( -0.000 11.841 -4.192) 12.561 9.388 ( -0.000 6.315 -1.657) 6.529 10.910 ( -0.000 -14.391 -0.926) 14.421 11.997 ( -0.000 20.914 -5.062) 21.518 13.687 ( 0.000 6.817 10.175) 12.248 14.355 ( -0.000 5.000 -17.820) 18.508 15.488 ( -0.000 -21.583 -2.304) 21.706 18.527 ( 0.000 -12.021 8.187) 14.545 18.665 ( 0.000 5.705 0.173) 5.707 18.930 ( 0.000 3.253 0.931) 3.384 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( -3.879 -7.413 -2.573) 8.754 3.745 ( 8.511 5.924 1.624) 10.496 4.281 ( 3.018 22.918 -6.720) 24.072 5.746 ( -2.472 2.286 7.261) 8.004 6.242 ( -4.965 -0.310 -1.187) 5.114 6.736 ( 7.593 24.659 -3.643) 26.058 8.063 ( 6.867 -10.065 3.321) 12.629 8.444 ( 0.091 -2.579 11.120) 11.416 9.172 ( -13.443 7.069 -5.317) 16.092 9.666 ( 11.175 9.030 -2.566) 14.594 10.841 ( 7.705 -10.370 -1.666) 13.026 12.245 ( 6.374 19.550 -1.831) 20.644 13.730 ( -6.420 5.519 6.584) 10.725 14.347 ( -1.402 6.949 -12.845) 14.671 15.288 ( 2.068 -20.795 -1.589) 20.958 18.341 ( -26.568 2.233 0.081) 26.662 18.441 ( -1.852 -9.174 6.301) 11.282 19.269 ( 21.081 3.650 0.278) 21.397 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( -7.928 -6.142 -1.522) 10.144 4.002 ( 14.815 4.184 -0.743) 15.413 4.560 ( 5.753 20.056 -3.796) 21.207 5.748 ( -1.698 1.841 5.190) 5.763 6.087 ( -8.673 -5.860 -0.991) 10.514 7.096 ( 6.407 20.701 -0.383) 21.673 8.077 ( 5.583 -10.373 -3.213) 12.210 8.443 ( 2.004 -6.969 12.037) 14.052 9.071 ( -2.301 5.280 -1.357) 5.917 9.868 ( 3.841 6.496 -3.801) 8.450 10.983 ( 17.467 -3.384 -1.710) 17.874 12.560 ( 8.049 15.637 0.541) 17.596 13.593 ( -14.204 0.885 0.047) 14.232 14.387 ( -0.335 10.555 -6.127) 12.209 15.143 ( 5.295 -19.287 0.099) 20.001 17.850 ( -30.656 0.342 -0.018) 30.658 18.358 ( -0.972 -6.525 3.790) 7.608 19.640 ( 17.395 3.083 0.033) 17.666 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -9.491 -3.303 -0.597) 10.067 4.322 ( 18.364 2.524 -2.285) 18.677 4.827 ( 4.351 15.111 -0.457) 15.732 5.763 ( 1.002 -0.375 1.996) 2.264 5.840 ( -10.432 -7.931 0.129) 13.105 7.271 ( -4.117 6.540 1.140) 7.812 8.106 ( 6.064 5.570 -7.174) 10.921 8.456 ( 5.834 -12.229 9.644) 16.632 9.172 ( 7.634 0.424 2.323) 7.991 9.944 ( 1.639 6.221 -2.703) 6.978 11.336 ( 22.880 1.223 -0.743) 22.925 12.763 ( 0.437 6.503 -0.778) 6.564 13.288 ( -18.677 -1.247 -1.403) 18.771 14.494 ( 1.076 9.973 -2.193) 10.268 15.130 ( 13.192 -12.404 1.073) 18.139 17.296 ( -32.416 -1.309 -0.347) 32.444 18.301 ( -0.835 -3.442 1.689) 3.924 19.925 ( 12.456 1.916 -0.068) 12.603 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -7.658 0.214 -0.118) 7.661 4.652 ( 18.257 -0.341 -3.430) 18.579 4.962 ( -1.372 4.053 4.343) 6.096 5.597 ( -8.622 -2.348 -2.543) 9.291 5.805 ( 3.069 -1.055 1.474) 3.564 7.152 ( -8.251 -2.635 -1.546) 8.798 8.331 ( 6.394 12.579 -1.924) 14.241 8.464 ( 7.977 -10.618 5.072) 14.217 9.241 ( -0.107 -2.508 -1.734) 3.051 10.136 ( 14.484 5.517 4.611) 16.171 11.695 ( 13.731 0.439 -0.334) 13.742 12.639 ( -9.850 -10.299 -11.206) 18.129 13.030 ( -12.301 7.554 7.230) 16.145 14.567 ( 0.920 1.873 0.347) 2.115 15.391 ( 22.822 -0.977 0.201) 22.844 16.714 ( -32.948 -0.133 -0.625) 32.954 18.272 ( -0.468 -0.692 0.300) 0.887 20.103 ( 6.982 -0.054 -0.092) 6.983 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -2.716 3.572 -0.043) 4.487 4.738 ( -2.875 -14.406 -1.901) 14.813 5.051 ( 11.189 3.349 4.273) 12.437 5.488 ( -6.331 5.287 -1.469) 8.378 5.853 ( 2.795 -0.686 -0.369) 2.902 7.001 ( -5.157 -1.012 -2.883) 5.994 8.376 ( 4.032 -14.407 5.024) 15.782 8.677 ( 6.948 15.276 -1.501) 16.849 9.146 ( -6.676 0.608 -3.225) 7.439 10.538 ( 24.663 -1.489 10.942) 27.022 11.684 ( -14.118 0.066 -5.315) 15.085 12.267 ( -10.719 -19.191 -8.109) 23.430 13.091 ( 4.565 12.581 4.892) 14.250 14.593 ( 2.205 -1.456 1.325) 2.956 15.716 ( 10.647 -15.293 -0.427) 18.639 16.286 ( -15.435 20.688 -0.621) 25.819 18.273 ( 0.090 1.441 -0.211) 1.459 20.161 ( 1.397 -2.901 -0.090) 3.221 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 3.449 5.706 -0.206) 6.671 4.451 ( -8.955 -16.654 -1.016) 18.936 5.298 ( 8.970 5.229 2.592) 10.702 5.424 ( -4.372 0.153 -1.226) 4.543 5.877 ( -0.456 1.516 0.319) 1.615 6.954 ( -0.941 3.961 -1.793) 4.448 8.257 ( -2.312 -15.079 0.035) 15.255 8.906 ( 3.961 10.793 1.078) 11.547 9.066 ( -3.750 4.169 0.711) 5.652 10.951 ( 22.926 -18.061 20.145) 35.463 11.340 ( -20.514 13.657 -19.089) 31.172 11.835 ( -13.916 -20.294 -3.217) 24.816 13.350 ( 7.434 9.047 1.491) 11.804 14.626 ( 1.783 -0.361 0.655) 1.933 15.399 ( -12.124 -19.180 -0.068) 22.691 16.648 ( 15.776 27.705 -0.498) 31.886 18.302 ( 0.825 2.725 0.210) 2.855 20.093 ( -3.795 -6.457 -0.083) 7.491 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 8.254 5.674 -0.657) 10.037 4.136 ( -9.308 -12.592 -1.317) 15.714 5.285 ( -9.884 0.147 -5.113) 11.129 5.482 ( 5.884 0.309 5.239) 7.884 5.882 ( -2.078 4.722 1.274) 5.314 7.025 ( 1.139 8.100 1.211) 8.269 8.005 ( -8.622 -12.632 -4.619) 15.976 8.973 ( -6.262 3.226 6.843) 9.821 9.158 ( 8.004 5.140 2.212) 9.766 10.781 ( -18.057 -6.016 -2.279) 19.169 11.368 ( -9.607 -19.207 -0.740) 21.488 11.516 ( 15.284 4.302 -2.533) 16.078 13.424 ( -6.669 0.987 -0.510) 6.761 14.630 ( -2.077 2.647 -1.696) 3.768 15.150 ( 4.019 -13.739 0.715) 14.333 17.219 ( 17.711 26.994 -0.202) 32.287 18.356 ( 1.741 2.996 1.525) 3.786 19.904 ( -8.149 -10.400 -0.052) 13.212 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 10.484 3.298 -1.427) 11.083 3.892 ( -7.851 -5.261 -0.531) 9.466 5.033 ( -14.607 -3.182 -7.626) 16.782 5.553 ( -2.054 3.576 7.390) 8.463 5.928 ( 1.162 5.554 0.767) 5.726 7.082 ( -8.071 8.676 1.142) 11.905 7.752 ( -3.482 -9.575 -3.045) 10.634 8.855 ( -11.491 1.012 8.914) 14.578 9.379 ( 10.047 3.644 3.316) 11.190 10.414 ( -20.765 4.188 -8.751) 22.919 11.008 ( -8.018 -14.504 -2.442) 16.752 11.855 ( 19.873 -3.948 1.773) 20.339 13.169 ( -18.343 -2.911 -0.165) 18.573 14.635 ( 0.123 3.813 -4.701) 6.054 15.203 ( 12.791 -9.854 -0.250) 16.148 17.784 ( 16.226 26.664 0.176) 31.213 18.430 ( 2.819 2.151 3.596) 5.050 19.609 ( -11.432 -14.351 0.042) 18.348 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( -0.000 -5.169 -1.814) 5.478 3.724 ( 0.000 3.656 1.848) 4.097 4.432 ( -0.000 16.774 -4.012) 17.247 5.829 ( 0.000 4.031 5.174) 6.559 6.267 ( -0.000 -2.765 -3.100) 4.154 6.891 ( 0.000 23.173 -2.806) 23.342 7.881 ( -0.000 -14.192 1.900) 14.318 8.452 ( 0.000 -3.622 11.002) 11.583 9.462 ( -0.000 7.073 -6.722) 9.758 9.541 ( 0.000 7.177 1.691) 7.373 10.660 ( -0.000 -9.250 -1.258) 9.335 12.348 ( 0.000 14.305 -1.178) 14.353 13.856 ( 0.000 4.048 1.727) 4.401 14.408 ( -0.000 9.874 -7.672) 12.504 15.072 ( -0.000 -18.114 -1.251) 18.157 18.374 ( 0.000 -7.163 4.530) 8.475 18.753 ( 0.000 2.957 0.118) 2.959 18.973 ( 0.000 0.915 0.170) 0.930 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( -4.541 -2.558 -0.887) 5.287 3.828 ( 8.296 1.669 0.513) 8.478 4.604 ( 5.092 10.634 -0.843) 11.820 5.844 ( -3.536 2.761 2.105) 4.956 6.163 ( -6.524 -4.113 -2.951) 8.257 7.163 ( 6.755 16.937 -0.795) 18.252 7.813 ( 7.689 -12.107 -1.030) 14.379 8.431 ( -1.390 -5.082 10.285) 11.556 9.271 ( -14.258 4.035 -0.426) 14.824 9.797 ( 10.309 4.866 -1.452) 11.492 10.684 ( 11.083 -3.729 -0.637) 11.711 12.528 ( 7.677 7.889 -1.000) 11.053 13.801 ( -8.443 0.702 -4.197) 9.454 14.497 ( -0.673 11.517 -2.449) 11.794 14.919 ( 1.307 -13.846 0.863) 13.935 18.320 ( -2.456 -3.738 2.081) 4.933 18.382 ( -26.898 -0.048 0.630) 26.905 19.315 ( 22.042 1.058 -0.185) 22.069 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -8.341 0.712 -0.123) 8.372 4.038 ( 14.785 0.029 -1.325) 14.844 4.803 ( 8.421 3.181 3.264) 9.575 5.774 ( -3.876 -4.130 -2.478) 6.183 5.982 ( -10.018 0.943 -0.719) 10.088 7.337 ( 1.525 -1.246 -0.673) 2.081 7.940 ( 13.477 4.131 -3.791) 14.596 8.373 ( -1.882 -6.178 8.568) 10.729 9.135 ( -3.480 0.357 2.602) 4.360 9.948 ( 3.882 2.505 0.383) 4.636 10.953 ( 20.443 0.952 0.371) 20.469 12.705 ( 7.221 -1.319 -3.782) 8.257 13.580 ( -14.454 -0.124 -4.275) 15.074 14.569 ( -0.697 3.615 0.431) 3.706 14.890 ( 5.315 -0.648 1.777) 5.641 17.850 ( -31.694 -0.093 -0.718) 31.702 18.292 ( -0.568 -1.659 1.244) 2.150 19.669 ( 17.893 -0.062 -0.286) 17.895 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -9.785 4.263 0.221) 10.676 4.313 ( 18.022 -1.983 -2.774) 18.342 4.923 ( 4.785 -9.052 8.898) 13.565 5.656 ( -1.146 -2.438 -7.392) 7.867 5.859 ( -8.006 4.421 0.742) 9.175 7.221 ( -5.252 -8.739 -3.950) 10.934 8.260 ( 10.569 -0.415 5.858) 12.091 8.325 ( 3.716 4.636 -1.131) 6.048 9.155 ( 4.415 -1.742 0.198) 4.751 10.035 ( 4.621 0.527 7.265) 8.626 11.353 ( 22.649 0.413 0.993) 22.674 12.641 ( -5.550 -10.649 -12.579) 17.391 13.339 ( -12.738 2.277 3.130) 13.313 14.550 ( 0.079 -5.097 3.262) 6.052 15.117 ( 12.633 11.523 -0.187) 17.100 17.290 ( -32.408 1.130 -1.005) 32.443 18.281 ( -0.450 0.934 -0.256) 1.068 19.923 ( 12.493 -2.001 -0.271) 12.655 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -8.080 7.437 0.228) 10.984 4.530 ( 10.221 -10.540 -3.530) 15.101 4.888 ( 5.786 -11.434 11.134) 16.976 5.663 ( -1.541 7.737 -5.909) 9.856 5.783 ( -1.481 -1.449 -1.178) 2.383 7.041 ( -3.709 -5.690 -5.442) 8.703 8.214 ( 0.587 -12.440 8.582) 15.125 8.652 ( 12.203 12.806 -4.086) 18.155 9.196 ( 0.385 1.676 -5.287) 5.560 10.202 ( 13.722 -6.348 16.829) 22.623 11.668 ( 12.820 -4.283 1.179) 13.568 12.279 ( -15.550 -10.734 -17.900) 26.027 13.224 ( -4.726 3.339 6.034) 8.360 14.523 ( 2.098 -5.659 4.194) 7.350 15.459 ( 11.662 7.393 -1.196) 13.859 16.807 ( -25.428 9.597 -0.953) 27.195 18.293 ( -0.172 2.855 -1.184) 3.096 20.053 ( 6.491 -4.802 -0.216) 8.077 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -3.740 9.530 0.246) 10.241 4.387 ( -3.981 -18.570 0.389) 18.995 5.058 ( 15.108 -4.982 6.753) 17.282 5.615 ( -8.965 5.887 -2.498) 11.012 5.816 ( 6.014 -1.522 -3.411) 7.079 6.975 ( 1.107 0.651 -5.336) 5.488 8.116 ( 0.305 -14.361 7.048) 16.000 8.916 ( 7.908 6.414 -3.793) 10.866 9.177 ( -4.523 7.366 -6.741) 10.961 10.464 ( 20.438 -15.710 22.835) 34.438 11.662 ( -5.027 -9.956 0.617) 11.171 11.852 ( -17.657 -2.102 -19.027) 26.043 13.296 ( 6.655 2.069 3.782) 7.929 14.542 ( 4.292 -4.211 4.044) 7.247 15.474 ( -10.824 -5.872 -1.385) 12.391 16.771 ( 1.751 26.054 -0.612) 26.120 18.323 ( 0.264 3.867 -1.453) 4.139 20.047 ( 0.460 -8.318 -0.164) 8.333 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 1.034 9.651 0.276) 9.710 4.128 ( -5.655 -14.522 0.357) 15.588 5.232 ( 7.928 -9.832 5.893) 13.937 5.526 ( -4.526 6.367 -4.032) 8.791 5.895 ( 4.017 0.831 -1.250) 4.288 7.047 ( 4.528 5.932 -3.405) 8.203 7.964 ( -3.459 -14.810 3.878) 15.696 9.019 ( 2.275 -1.107 -2.742) 3.731 9.187 ( -1.344 9.854 -3.766) 10.634 10.671 ( 13.808 -19.538 18.658) 30.340 11.358 ( -10.639 -19.694 1.087) 22.410 11.590 ( -12.090 15.525 -15.877) 25.284 13.416 ( 5.038 -5.377 1.250) 7.474 14.609 ( 5.058 -1.698 2.736) 5.996 15.157 ( -14.344 -3.455 -0.657) 14.769 17.220 ( 14.375 28.919 -0.360) 32.297 18.368 ( 0.865 3.850 -1.043) 4.082 19.904 ( -4.981 -12.238 -0.107) 13.213 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 4.161 7.207 0.000) 8.322 3.932 ( -4.115 -7.127 -0.000) 8.229 5.136 ( -5.744 -9.949 -0.000) 11.488 5.586 ( 2.797 4.845 0.000) 5.594 5.961 ( 1.714 2.968 -0.000) 3.428 7.199 ( 4.357 7.546 0.000) 8.714 7.732 ( -7.187 -12.447 -0.000) 14.373 8.977 ( -2.434 -4.215 -0.000) 4.867 9.312 ( 5.117 8.863 -0.000) 10.234 10.632 ( -4.632 -8.023 0.000) 9.265 10.991 ( -9.518 -16.486 -0.000) 19.037 11.637 ( 4.644 8.044 -0.000) 9.289 13.323 ( -5.980 -10.358 0.000) 11.960 14.665 ( 0.635 1.100 -0.000) 1.270 15.016 ( 0.143 0.247 0.000) 0.286 17.775 ( 16.137 27.950 -0.000) 32.274 18.422 ( 1.619 2.805 -0.000) 3.239 19.636 ( -9.344 -16.184 0.000) 18.688 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 0.000 0.880 -0.008) 0.880 3.761 ( 0.000 -0.744 0.664) 0.998 4.622 ( 0.000 2.441 2.101) 3.221 5.880 ( -0.000 -3.163 -1.839) 3.658 6.200 ( -0.000 1.325 -3.126) 3.395 7.207 ( 0.000 2.073 0.611) 2.161 7.653 ( -0.000 -1.578 -1.123) 1.936 8.427 ( 0.000 -4.520 8.071) 9.251 9.555 ( 0.000 3.996 1.618) 4.311 9.615 ( -0.000 -1.284 -0.434) 1.356 10.567 ( 0.000 0.934 0.614) 1.118 12.491 ( -0.000 0.128 -1.446) 1.452 13.847 ( -0.000 -1.850 -9.754) 9.928 14.587 ( 0.000 3.560 0.604) 3.611 14.845 ( 0.000 0.967 3.827) 3.947 18.302 ( 0.000 -1.973 1.573) 2.524 18.783 ( 0.000 -0.050 0.044) 0.066 18.976 ( -0.000 -0.217 -0.913) 0.938 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( -4.658 4.211 0.684) 6.316 3.818 ( 8.384 -2.690 -0.427) 8.816 4.672 ( 5.726 -5.556 5.934) 9.943 5.774 ( -3.829 -7.642 -4.919) 9.863 6.161 ( -6.646 4.715 -2.846) 8.631 7.185 ( 4.941 -14.722 1.485) 15.600 7.796 ( 9.727 11.039 -2.943) 15.005 8.388 ( -2.149 -3.967 5.242) 6.916 9.310 ( -14.378 -1.171 3.514) 14.848 9.827 ( 11.043 -1.979 2.257) 11.444 10.704 ( 11.151 5.142 1.403) 12.359 12.516 ( 6.676 -7.356 -2.388) 10.217 13.718 ( -6.638 -4.162 -11.762) 14.133 14.577 ( -0.953 -3.587 4.799) 6.067 14.945 ( 0.202 14.439 3.369) 14.828 18.294 ( -0.632 0.695 -0.225) 0.966 18.374 ( -28.697 -1.024 -0.454) 28.719 19.311 ( 22.179 -1.233 -0.643) 22.223 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( -8.371 7.470 0.934) 11.259 3.985 ( 14.888 -4.320 -2.062) 15.638 4.716 ( 7.182 -15.760 11.653) 20.875 5.621 ( -2.346 -4.566 -7.648) 9.211 6.060 ( -8.803 4.263 -3.330) 10.333 7.096 ( 3.027 -17.555 -0.493) 17.821 8.108 ( 13.473 8.464 -2.275) 16.073 8.315 ( -2.367 -2.636 0.936) 3.664 9.145 ( -4.297 -0.435 5.515) 7.005 9.953 ( 6.474 -4.903 5.898) 10.037 11.018 ( 17.516 4.305 1.788) 18.125 12.505 ( 3.709 -12.890 -5.528) 14.507 13.500 ( -8.401 -4.858 -8.480) 12.887 14.531 ( -2.271 -3.588 7.716) 8.807 15.154 ( 3.657 19.440 1.161) 19.815 17.839 ( -30.765 -0.375 -1.139) 30.788 18.305 ( -0.378 2.814 -1.496) 3.209 19.634 ( 17.524 -3.130 -0.497) 17.808 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( -9.922 10.263 0.816) 14.298 4.195 ( 15.298 -8.346 -3.712) 17.818 4.674 ( 5.924 -20.415 16.480) 26.898 5.591 ( 4.329 -0.567 -9.129) 10.119 5.929 ( -8.746 2.791 -3.985) 10.008 6.952 ( 0.874 -15.017 -2.143) 15.194 8.178 ( -3.699 -5.510 5.588) 8.676 8.463 ( 15.711 3.552 -9.952) 18.933 9.186 ( 3.236 5.251 4.674) 7.739 10.010 ( 6.330 -10.085 11.244) 16.377 11.348 ( 16.729 -2.694 1.520) 17.013 12.345 ( -5.529 -8.840 -8.891) 13.702 13.298 ( -5.664 -6.791 -3.423) 9.483 14.489 ( -1.713 -2.425 8.569) 9.068 15.448 ( 6.121 19.266 -0.383) 20.219 17.330 ( -27.534 3.575 -1.130) 27.788 18.328 ( -0.376 4.452 -2.846) 5.298 19.842 ( 11.576 -5.844 -0.338) 12.972 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( -8.540 12.174 0.841) 14.894 4.213 ( 3.047 -18.161 -0.083) 18.415 4.747 ( 15.223 -10.924 13.535) 23.114 5.637 ( 5.776 -6.006 -9.719) 12.802 5.812 ( -6.680 5.608 -3.346) 9.342 6.865 ( 5.137 -9.427 -2.544) 11.033 8.059 ( -4.223 -7.314 5.053) 9.842 8.697 ( 14.727 -3.391 -11.775) 19.158 9.321 ( -0.749 11.724 0.084) 11.748 10.078 ( 13.204 -17.237 17.762) 28.052 11.466 ( 5.621 -15.336 -0.043) 16.333 12.148 ( -11.696 6.475 -8.568) 15.878 13.172 ( 2.613 -10.101 -0.780) 10.462 14.487 ( 0.321 -0.710 8.329) 8.366 15.635 ( -5.240 10.153 -1.038) 11.472 17.062 ( -10.382 15.869 -0.743) 18.978 18.360 ( -0.261 5.141 -3.706) 6.343 19.911 ( 5.085 -9.276 -0.216) 10.581 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -5.240 12.638 1.220) 13.735 4.040 ( -1.369 -16.311 1.684) 16.455 4.959 ( 14.400 -10.703 11.184) 21.143 5.578 ( 0.209 -5.574 -10.095) 11.533 5.827 ( 2.148 4.859 -2.157) 5.733 6.928 ( 9.965 -3.892 -2.428) 10.970 7.919 ( -4.624 -8.693 4.657) 10.892 8.827 ( 11.076 -7.852 -11.676) 17.907 9.362 ( -6.207 11.390 -3.242) 13.371 10.245 ( 18.939 -18.636 18.077) 32.136 11.286 ( -4.345 -18.557 0.814) 19.076 11.988 ( -16.775 15.146 -7.407) 23.784 13.175 ( 10.144 -14.441 0.154) 17.648 14.541 ( 2.689 1.207 7.145) 7.729 15.462 ( -18.520 4.061 -0.629) 18.970 17.291 ( 9.201 26.000 -0.449) 27.584 18.396 ( 0.006 4.800 -3.970) 6.229 19.831 ( -1.238 -13.147 -0.136) 13.206 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 0.000 6.798 1.407) 6.942 3.703 ( -0.000 -5.239 -0.280) 5.246 4.555 ( 0.000 -12.169 8.399) 14.786 5.711 ( -0.000 -7.964 -6.778) 10.458 6.251 ( -0.000 3.123 -4.169) 5.209 6.962 ( 0.000 -20.444 4.455) 20.924 7.809 ( -0.000 10.787 -5.394) 12.060 8.387 ( 0.000 -2.792 2.976) 4.081 9.518 ( -0.000 -5.927 -0.573) 5.954 9.610 ( 0.000 -3.739 9.421) 10.136 10.687 ( 0.000 9.231 1.402) 9.337 12.356 ( -0.000 -11.431 -0.431) 11.439 13.666 ( -0.000 -7.281 -16.211) 17.771 14.588 ( 0.000 -0.979 8.979) 9.032 15.121 ( 0.000 17.839 3.510) 18.181 18.312 ( -0.000 2.817 -1.577) 3.228 18.752 ( -0.000 -3.045 -0.011) 3.045 18.955 ( -0.000 -1.106 -1.597) 1.942 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( -4.210 8.829 1.709) 9.930 3.715 ( 8.684 -7.140 -1.236) 11.310 4.474 ( 4.266 -19.167 12.584) 23.323 5.589 ( -2.291 -5.482 -8.738) 10.567 6.198 ( -5.771 0.144 -4.911) 7.579 6.819 ( 5.383 -21.538 4.805) 22.714 7.956 ( 9.125 5.373 -7.826) 13.168 8.346 ( -2.719 -1.948 0.369) 3.365 9.294 ( -10.579 -3.107 7.020) 13.071 9.737 ( 10.889 -10.500 5.540) 16.109 10.870 ( 8.282 9.692 1.150) 12.800 12.277 ( 4.656 -14.026 1.428) 14.848 13.501 ( -3.917 -7.138 -16.284) 18.206 14.598 ( -2.661 0.417 11.751) 12.055 15.326 ( 0.970 20.420 2.165) 20.557 18.332 ( -23.921 -1.015 -2.121) 24.037 18.342 ( -4.370 3.295 -2.144) 5.878 19.258 ( 21.421 -3.607 -0.779) 21.737 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( -7.537 10.791 1.513) 13.249 3.835 ( 14.220 -9.236 -3.055) 17.229 4.392 ( 6.315 -24.128 18.148) 30.845 5.498 ( 0.631 -3.152 -11.496) 11.936 6.057 ( -6.762 -1.293 -5.195) 8.625 6.715 ( 5.043 -21.108 3.941) 22.057 8.148 ( 12.509 -1.381 -8.152) 14.995 8.258 ( -3.971 -2.267 -3.112) 5.531 9.217 ( 0.555 0.310 10.920) 10.939 9.792 ( 8.088 -14.289 4.063) 16.914 11.117 ( 10.204 4.337 0.345) 11.093 12.227 ( 4.285 -12.716 4.042) 14.014 13.302 ( -5.885 -5.735 -14.361) 16.546 14.581 ( -4.463 1.312 13.168) 13.965 15.584 ( 3.218 22.285 0.748) 22.528 17.820 ( -27.744 -0.834 -0.990) 27.774 18.376 ( -0.479 6.139 -5.159) 8.033 19.537 ( 16.343 -6.291 -0.416) 17.517 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( -9.195 12.521 1.350) 15.593 3.924 ( 9.459 -16.006 -2.296) 18.733 4.397 ( 14.102 -18.735 19.962) 30.795 5.445 ( 3.363 -7.640 -15.203) 17.345 5.944 ( -4.890 2.633 -3.719) 6.684 6.615 ( 6.612 -18.909 3.490) 20.333 8.121 ( -6.572 -2.395 -0.249) 6.999 8.329 ( 15.392 -7.575 -11.845) 20.847 9.365 ( 9.262 2.724 10.178) 14.029 9.762 ( 5.871 -17.365 3.144) 18.598 11.254 ( 5.069 -5.111 -1.138) 7.288 12.228 ( 4.397 -4.821 8.539) 10.746 13.089 ( -6.845 -5.748 -12.999) 15.776 14.569 ( -3.846 2.829 13.401) 14.226 15.836 ( -0.959 18.970 -0.077) 18.994 17.420 ( -18.075 6.059 -0.766) 19.079 18.411 ( -0.694 6.519 -6.538) 9.259 19.686 ( 9.883 -9.595 -0.190) 13.776 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( -8.432 13.370 1.777) 15.907 3.852 ( 3.916 -17.632 1.441) 18.119 4.593 ( 18.235 -14.865 16.774) 28.894 5.371 ( 5.892 -11.047 -17.248) 21.313 5.904 ( -3.506 5.207 -2.012) 6.592 6.629 ( 13.019 -14.292 3.229) 19.600 7.973 ( -6.847 -3.403 -0.685) 7.677 8.462 ( 14.499 -10.600 -11.028) 21.077 9.547 ( -2.077 7.871 1.438) 8.266 9.745 ( 19.039 -23.607 7.328) 31.200 11.193 ( -2.305 -9.172 0.252) 9.461 12.304 ( -1.385 4.312 10.318) 11.268 12.893 ( -0.839 -10.001 -11.400) 15.188 14.596 ( -1.932 4.236 12.411) 13.256 15.834 ( -15.826 9.854 -0.032) 18.643 17.410 ( 2.895 18.889 -0.509) 19.116 18.438 ( -0.785 5.846 -7.264) 9.357 19.682 ( 3.030 -13.367 -0.097) 13.707 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( 0.000 7.488 2.392) 7.861 3.548 ( -0.000 -9.897 -1.011) 9.948 4.280 ( 0.000 -20.643 13.995) 24.940 5.522 ( -0.000 -5.663 -11.039) 12.406 6.222 ( -0.000 -3.016 -4.668) 5.557 6.558 ( 0.000 -23.339 7.336) 24.465 7.877 ( -0.000 0.817 -10.358) 10.391 8.356 ( -0.000 -1.342 -0.228) 1.361 9.437 ( 0.000 -21.165 8.083) 22.656 9.438 ( 0.000 -2.605 3.260) 4.173 10.923 ( 0.000 13.596 0.346) 13.600 12.107 ( 0.000 -13.998 6.646) 15.496 13.412 ( -0.000 -5.217 -18.279) 19.009 14.678 ( 0.000 1.813 14.634) 14.746 15.531 ( 0.000 21.092 1.914) 21.178 18.385 ( -0.000 6.568 -5.694) 8.692 18.663 ( -0.000 -5.759 -0.020) 5.759 18.907 ( -0.000 -2.888 -1.332) 3.180 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( -1.597 3.270 2.128) 4.216 3.521 ( 9.050 -10.460 -1.273) 13.890 4.140 ( 1.733 -20.786 17.068) 26.951 5.415 ( -0.641 -6.401 -14.364) 15.738 6.111 ( -5.020 -4.921 -3.620) 7.907 6.411 ( 5.928 -22.950 7.128) 24.751 7.900 ( 7.618 -3.471 -10.739) 13.617 8.311 ( -3.284 -1.470 -1.193) 3.791 9.166 ( -0.838 -22.326 7.336) 23.515 9.520 ( 8.234 -7.671 2.191) 11.465 11.093 ( 2.731 12.631 -0.399) 12.929 12.030 ( 4.153 -14.838 10.754) 18.789 13.297 ( -3.083 -0.590 -17.390) 17.671 14.721 ( -3.271 2.593 16.901) 17.409 15.769 ( 1.836 22.458 1.142) 22.562 18.260 ( -25.857 -4.445 -0.535) 26.242 18.432 ( -0.399 7.717 -7.983) 11.110 19.155 ( 19.896 -6.384 -0.377) 20.898 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.371 ( -0.135 -0.812 1.089) 1.365 3.602 ( 9.834 -8.842 -2.082) 13.388 4.057 ( 6.859 -19.716 21.112) 29.690 5.269 ( 0.011 -11.518 -18.778) 22.029 6.008 ( -1.684 0.088 -2.169) 2.747 6.306 ( 5.812 -23.076 6.775) 24.743 7.981 ( 11.147 -7.518 -9.146) 16.261 8.209 ( -5.728 -1.940 -1.695) 6.281 9.041 ( 13.514 -27.981 4.674) 31.423 9.588 ( 5.286 -3.842 1.368) 6.676 11.220 ( -0.297 7.704 -1.307) 7.819 12.023 ( 8.576 -15.879 14.008) 22.846 13.180 ( -7.285 4.966 -15.455) 17.793 14.737 ( -4.960 4.182 18.281) 19.399 16.037 ( 1.714 22.152 0.537) 22.225 17.794 ( -22.306 -1.209 -0.466) 22.344 18.471 ( -0.919 7.899 -9.914) 12.709 19.377 ( 14.563 -9.627 0.020) 17.457 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( 0.430 -1.345 0.723) 1.586 3.616 ( 2.586 -8.059 -0.028) 8.464 4.160 ( 17.609 -17.653 20.766) 32.449 5.092 ( 3.803 -15.010 -21.134) 26.199 6.006 ( -3.096 4.450 -1.738) 5.693 6.243 ( 12.400 -21.241 6.785) 25.514 8.026 ( 0.695 -6.268 -9.393) 11.314 8.116 ( 5.460 -7.380 1.145) 9.252 9.092 ( 23.891 -29.121 -1.063) 37.682 9.620 ( 0.897 -1.893 1.581) 2.625 11.227 ( -4.954 4.349 -0.088) 6.593 12.103 ( 14.088 -17.118 14.488) 26.484 13.034 ( -12.914 9.519 -12.971) 20.631 14.758 ( -4.977 5.914 18.038) 19.624 16.184 ( -9.442 15.296 0.529) 17.984 17.567 ( -5.131 9.223 -0.440) 10.564 18.493 ( -1.400 6.948 -10.958) 13.051 19.457 ( 7.685 -13.234 0.104) 15.303 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( -0.000 -15.086 -1.607) 15.172 3.360 ( 0.000 -11.278 5.895) 12.726 4.043 ( 0.000 -8.044 14.919) 16.949 5.288 ( -0.000 -10.038 -18.188) 20.774 6.114 ( 0.000 -26.123 7.365) 27.142 6.121 ( -0.000 -3.334 -1.576) 3.688 7.768 ( -0.000 -3.358 -9.293) 9.881 8.316 ( 0.000 -4.420 2.581) 5.119 8.842 ( -0.000 -38.411 -2.699) 38.506 9.423 ( 0.000 -2.417 3.829) 4.528 11.233 ( 0.000 17.256 -0.267) 17.258 11.870 ( 0.000 -17.322 12.495) 21.358 13.291 ( -0.000 5.061 -15.640) 16.438 14.841 ( 0.000 3.564 20.271) 20.582 15.979 ( 0.000 22.512 0.935) 22.531 18.489 ( -0.000 8.804 -11.086) 14.157 18.525 ( -0.000 -7.914 0.032) 7.914 18.815 ( -0.000 -5.957 -0.065) 5.957 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 4.803 -19.700 -0.898) 20.297 3.319 ( 11.489 -18.561 6.911) 22.897 4.017 ( -3.777 -1.017 14.121) 14.652 5.086 ( -1.690 -15.018 -21.871) 26.585 5.902 ( 3.999 -22.559 5.330) 23.522 6.104 ( 0.484 -3.815 1.031) 3.982 7.755 ( 4.788 -4.774 -5.300) 8.591 8.233 ( -0.624 -14.036 8.618) 16.482 8.501 ( 6.526 -32.252 -12.256) 35.114 9.457 ( 5.687 -3.975 2.419) 7.349 11.382 ( -3.185 16.566 -0.542) 16.878 11.761 ( 4.827 -20.448 12.155) 24.273 13.302 ( -2.780 10.354 -12.234) 16.266 14.924 ( -3.263 5.347 22.965) 23.804 16.227 ( 2.031 22.438 0.605) 22.538 18.151 ( -22.527 -6.229 0.057) 23.372 18.534 ( -0.722 8.937 -13.595) 16.285 18.996 ( 17.894 -9.502 0.493) 20.267 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 10.484 -22.046 -0.420) 24.415 3.411 ( 16.661 -18.421 4.529) 25.247 3.999 ( -2.502 0.885 16.102) 16.320 4.816 ( -0.202 -18.311 -23.368) 29.688 5.828 ( 11.142 -24.434 6.467) 27.622 6.083 ( -1.607 2.782 -0.271) 3.224 7.765 ( 7.978 -14.194 2.233) 16.435 8.107 ( -0.800 -12.317 3.849) 12.929 8.381 ( 17.214 -23.613 -15.420) 33.040 9.519 ( 5.621 -6.529 1.934) 8.830 11.438 ( -7.600 13.671 0.600) 15.653 11.721 ( 10.954 -20.988 9.585) 25.541 13.302 ( -7.784 13.154 -8.441) 17.460 14.987 ( -5.533 7.600 23.705) 25.501 16.459 ( -2.126 19.182 0.650) 19.310 17.774 ( -13.607 -0.308 -0.034) 13.611 18.553 ( -1.595 7.843 -14.919) 16.930 19.153 ( 12.343 -12.882 0.479) 17.847 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -0.000 -21.487 -2.159) 21.595 2.964 ( 0.000 -29.992 9.921) 31.591 4.091 ( 0.000 -2.390 11.107) 11.361 4.889 ( -0.000 -13.451 -23.320) 26.921 5.604 ( -0.000 -28.245 4.376) 28.582 6.096 ( 0.000 0.017 0.935) 0.935 7.687 ( -0.000 -0.204 -2.334) 2.343 7.820 ( 0.000 -52.640 9.606) 53.509 8.331 ( -0.000 -1.234 -13.408) 13.465 9.357 ( -0.000 -5.878 0.710) 5.920 11.534 ( 0.000 -23.201 9.558) 25.093 11.600 ( 0.000 19.205 -0.182) 19.206 13.409 ( -0.000 13.168 -8.738) 15.803 15.096 ( 0.000 7.191 27.077) 28.015 16.429 ( 0.000 21.673 0.405) 21.676 18.353 ( -0.000 -9.209 0.126) 9.209 18.572 ( -0.000 5.369 -13.599) 14.620 18.675 ( -0.000 -5.777 -1.943) 6.095 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 5.476 -28.067 0.996) 28.614 2.878 ( 16.559 -27.935 5.272) 32.899 4.034 ( 0.851 -14.017 6.276) 15.382 4.661 ( -6.392 -6.258 -19.006) 21.006 5.417 ( 8.503 -26.320 3.817) 27.921 6.099 ( 1.192 -2.112 0.703) 2.525 7.378 ( 6.679 -44.866 7.409) 45.961 7.782 ( 9.458 -2.232 -1.507) 9.834 8.242 ( -4.234 -1.564 -10.229) 11.181 9.343 ( 5.501 -8.052 -0.278) 9.756 11.369 ( 5.604 -24.080 7.602) 25.866 11.736 ( -5.971 18.428 -0.306) 19.373 13.504 ( -2.677 13.917 -5.755) 15.296 15.240 ( -3.585 9.730 29.094) 30.887 16.657 ( 1.321 19.896 0.309) 19.943 18.018 ( -17.865 -6.938 0.573) 19.173 18.597 ( -0.007 6.010 -16.274) 17.348 18.789 ( 14.562 -10.169 -1.499) 17.825 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 0.000 -35.917 7.965) 36.790 2.394 ( -0.000 -29.418 -2.392) 29.515 3.750 ( -0.000 -34.948 -5.903) 35.443 4.721 ( -0.000 7.579 -8.371) 11.293 5.069 ( -0.000 -26.256 1.324) 26.289 5.969 ( -0.000 -21.915 0.495) 21.921 6.932 ( -0.000 -29.142 4.168) 29.438 7.736 ( 0.000 4.085 4.551) 6.116 8.245 ( -0.000 -1.656 -7.617) 7.795 9.199 ( -0.000 -8.900 -3.086) 9.420 11.094 ( 0.000 -24.736 5.502) 25.341 11.979 ( 0.000 18.300 -0.014) 18.300 13.646 ( -0.000 13.357 -3.842) 13.898 15.482 ( 0.000 12.315 32.784) 35.020 16.833 ( 0.000 18.163 -0.082) 18.163 18.167 ( -0.000 -9.297 0.205) 9.300 18.419 ( 0.000 -13.662 5.022) 14.556 18.663 ( -0.000 8.674 -24.463) 25.955 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.000 -0.000 39.987) 39.987 0.773 ( 0.000 -0.000 39.987) 39.987 1.239 ( 0.000 -0.000 63.979) 63.979 4.104 ( -0.000 0.000 -9.324) 9.324 4.104 ( -0.000 0.000 -9.324) 9.324 6.177 ( -0.000 0.000 -11.830) 11.830 6.994 ( -0.000 0.000 -0.734) 0.734 8.079 ( -0.000 0.000 -2.645) 2.645 8.079 ( 0.000 0.000 -2.645) 2.645 8.733 ( 0.000 -0.000 3.675) 3.675 8.733 ( 0.000 -0.000 3.675) 3.675 12.625 ( 0.000 -0.000 0.144) 0.144 12.625 ( 0.000 -0.000 0.144) 0.144 14.091 ( 0.000 -0.000 2.287) 2.287 17.103 ( -0.000 0.000 -6.754) 6.754 17.820 ( -0.000 -0.000 -0.109) 0.109 17.820 ( -0.000 0.000 -0.109) 0.109 21.021 ( 0.000 -0.000 3.413) 3.413 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 22.903 13.223 27.688) 38.289 1.275 ( 26.660 15.392 28.031) 41.634 2.019 ( 41.346 23.871 41.487) 63.249 4.157 ( 8.091 4.671 -11.367) 14.714 4.368 ( 23.057 13.312 -11.124) 28.854 5.304 ( -28.692 -16.565 10.190) 34.662 6.925 ( -4.420 -2.552 -0.491) 5.128 8.102 ( 1.563 0.902 0.280) 1.826 8.174 ( 1.864 1.076 3.556) 4.157 8.692 ( 1.215 0.701 -1.252) 1.881 9.881 ( 38.629 22.302 -28.204) 52.773 12.544 ( -6.979 -4.030 0.166) 8.061 13.754 ( 51.894 29.961 -65.287) 88.617 14.096 ( 6.711 3.875 -10.308) 12.896 17.127 ( 1.825 1.054 -7.168) 7.471 17.851 ( 4.524 2.612 -0.507) 5.248 17.869 ( 4.058 2.343 -0.025) 4.685 20.357 ( -39.912 -23.043 41.782) 62.207 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 26.803 15.475 12.199) 33.267 2.006 ( 28.330 16.356 19.413) 38.039 3.060 ( 36.337 20.979 24.134) 48.404 4.397 ( 15.834 9.142 -12.911) 22.382 4.824 ( -9.574 -5.528 -6.828) 12.994 5.091 ( 32.821 18.949 -4.202) 38.131 6.831 ( -2.505 -1.446 0.969) 3.050 8.185 ( -2.444 -1.411 10.435) 10.810 8.189 ( 5.773 3.333 5.748) 8.802 8.783 ( 7.269 4.197 -6.681) 10.728 10.465 ( 22.918 13.232 -15.177) 30.507 12.315 ( -12.540 -7.240 0.155) 14.480 13.883 ( -6.797 -3.924 0.865) 7.896 14.491 ( 18.989 10.963 -67.055) 70.548 17.035 ( -8.394 -4.846 -5.471) 11.130 17.999 ( 6.884 3.975 0.073) 7.950 18.072 ( 13.850 7.996 -2.102) 16.130 19.740 ( -26.107 -15.073 41.408) 51.219 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 27.625 15.949 -0.023) 31.898 2.662 ( 23.255 13.426 14.235) 30.393 3.764 ( 17.900 10.335 5.484) 21.385 4.606 ( -3.039 -1.755 3.622) 5.043 4.795 ( 22.043 12.726 -13.344) 28.738 5.881 ( 27.836 16.071 -4.265) 32.424 6.909 ( 12.782 7.380 -2.536) 14.976 8.145 ( -4.120 -2.379 13.683) 14.487 8.428 ( 12.500 7.217 14.563) 20.504 8.962 ( 9.972 5.757 -8.436) 14.274 10.918 ( 20.796 12.007 -14.475) 28.038 11.982 ( -15.949 -9.208 0.136) 18.417 13.678 ( -11.447 -6.609 5.128) 14.178 14.543 ( 4.544 2.623 -50.269) 50.542 16.741 ( -15.039 -8.683 -3.796) 17.775 18.175 ( 8.136 4.697 0.153) 9.395 18.395 ( 13.320 7.691 -1.548) 15.459 19.356 ( -17.964 -10.371 30.811) 37.143 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( 24.899 14.376 -5.391) 29.252 3.160 ( 16.641 9.607 9.638) 21.496 3.842 ( -4.896 -2.827 -14.434) 15.502 4.833 ( 15.705 9.067 17.623) 25.287 5.313 ( 25.891 14.948 -12.285) 32.321 6.197 ( 3.130 1.807 2.356) 4.314 7.441 ( 30.211 17.442 -9.033) 36.035 8.084 ( -5.062 -2.922 14.281) 15.430 8.859 ( 19.270 11.125 19.897) 29.850 9.175 ( 10.474 6.047 -7.755) 14.367 11.337 ( 19.892 11.485 -17.690) 28.992 11.597 ( -17.125 -9.887 0.095) 19.775 13.399 ( -14.277 -8.243 9.123) 18.842 14.466 ( 1.846 1.066 -35.974) 36.037 16.343 ( -18.042 -10.417 -2.798) 21.021 18.364 ( 7.983 4.609 0.189) 9.220 18.648 ( 8.505 4.911 0.089) 9.822 19.084 ( -12.994 -7.502 20.794) 25.643 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( -4.009 -2.315 -0.861) 4.709 3.500 ( 10.920 6.305 5.572) 13.785 3.833 ( 17.836 10.297 -20.198) 28.846 5.255 ( 14.622 8.442 15.447) 22.884 5.890 ( 26.716 15.425 -10.321) 32.530 6.193 ( -2.584 -1.492 2.113) 3.656 7.998 ( -6.223 -3.593 12.839) 14.713 8.086 ( 26.239 15.149 -2.058) 30.368 9.372 ( 19.028 10.986 10.821) 24.492 9.383 ( 9.042 5.220 -5.497) 11.800 11.209 ( -16.005 -9.241 -0.097) 18.482 11.716 ( 17.625 10.176 -19.623) 28.271 13.108 ( -13.291 -7.674 15.135) 21.555 14.430 ( 3.659 2.112 -24.002) 24.371 15.907 ( -18.702 -10.798 -2.218) 21.709 18.537 ( 6.789 3.920 0.170) 7.841 18.770 ( 0.059 0.034 4.645) 4.645 18.898 ( -5.834 -3.368 9.225) 11.423 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( -8.786 -5.073 -2.501) 10.449 3.710 ( 6.393 3.691 2.486) 7.789 4.262 ( 20.150 11.634 -13.325) 26.813 5.572 ( 8.760 5.057 11.091) 15.011 6.126 ( -3.144 -1.815 0.705) 3.698 6.460 ( 24.736 14.281 -7.984) 29.657 7.875 ( -7.675 -4.431 9.802) 13.215 8.618 ( 18.204 10.510 8.057) 22.512 9.541 ( 5.295 3.057 -2.212) 6.502 9.749 ( 13.400 7.737 -9.784) 18.307 10.878 ( -12.045 -6.954 -0.712) 13.927 11.982 ( 8.493 4.904 -11.384) 15.026 12.945 ( -4.096 -2.365 18.269) 18.871 14.482 ( 5.896 3.404 -14.364) 15.896 15.486 ( -16.635 -9.604 -2.055) 19.318 18.674 ( 4.878 2.816 0.103) 5.634 18.675 ( -6.662 -3.846 6.341) 9.969 18.885 ( 0.271 0.157 1.600) 1.631 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( -4.645 -2.682 -0.780) 5.420 3.817 ( 2.506 1.447 0.318) 2.911 4.627 ( 13.847 7.994 -8.010) 17.883 5.721 ( 1.759 1.016 6.311) 6.630 6.070 ( -1.572 -0.908 0.431) 1.866 6.961 ( 20.012 11.554 -5.272) 23.702 7.704 ( -9.401 -5.428 6.117) 12.460 8.916 ( 3.877 2.238 9.013) 10.063 9.601 ( 0.155 0.089 0.700) 0.723 9.978 ( 12.712 7.339 -24.962) 28.958 10.672 ( -5.198 -3.001 -1.475) 6.181 12.037 ( -1.839 -1.061 9.069) 9.314 13.019 ( 4.146 2.393 11.398) 12.362 14.588 ( 5.570 3.216 -6.813) 9.369 15.160 ( -9.942 -5.740 -2.421) 11.733 18.552 ( -4.931 -2.847 1.308) 5.843 18.760 ( 2.511 1.450 0.011) 2.899 18.885 ( -0.568 -0.328 1.713) 1.834 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 1.282 0.740 0.862) 1.713 3.830 ( -1.223 -0.706 -1.222) 1.867 4.828 ( 4.786 2.763 -3.519) 6.552 5.707 ( -3.962 -2.287 2.315) 5.127 6.055 ( 0.035 0.020 0.912) 0.913 7.308 ( 7.749 4.474 -3.395) 9.570 7.497 ( -6.928 -4.000 4.370) 9.116 8.860 ( -8.045 -4.645 -1.665) 9.438 9.575 ( -1.869 -1.079 0.657) 2.256 10.172 ( 8.714 5.031 -22.328) 24.490 10.627 ( 1.320 0.762 -1.007) 1.827 12.037 ( -0.612 -0.354 18.913) 18.926 13.098 ( -1.655 -0.956 8.257) 8.475 14.675 ( 3.253 1.878 -1.719) 4.131 15.057 ( 2.019 1.166 -2.216) 3.216 18.457 ( -3.020 -1.743 -2.674) 4.394 18.788 ( -0.078 -0.045 -0.082) 0.122 18.879 ( -0.322 -0.186 1.793) 1.831 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 6.811 3.932 1.769) 8.062 3.752 ( -5.074 -2.930 -2.322) 6.303 4.821 ( -4.683 -2.704 -1.202) 5.540 5.549 ( -9.847 -5.685 -0.722) 11.393 6.079 ( 1.355 0.782 2.197) 2.697 7.112 ( -15.525 -8.963 -0.804) 17.944 7.584 ( 4.947 2.856 2.946) 6.427 8.619 ( -10.189 -5.883 -6.439) 13.412 9.545 ( -0.454 -0.262 -1.640) 1.722 10.141 ( -7.709 -4.451 -14.408) 16.936 10.714 ( 6.218 3.590 0.273) 7.185 12.167 ( 7.523 4.344 11.831) 14.678 12.975 ( -10.973 -6.335 10.953) 16.748 14.757 ( 4.324 2.497 0.509) 5.019 15.215 ( 11.331 6.542 -0.244) 13.086 18.396 ( -1.192 -0.688 -5.030) 5.215 18.756 ( -2.654 -1.532 -0.155) 3.069 18.881 ( -0.079 -0.046 1.468) 1.471 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( 8.547 4.935 1.328) 9.958 3.579 ( -9.254 -5.343 -2.940) 11.082 4.611 ( -12.347 -7.128 -3.601) 14.704 5.273 ( -13.514 -7.802 2.184) 15.757 6.110 ( 0.436 0.252 1.735) 1.807 6.694 ( -20.351 -11.750 0.047) 23.499 7.657 ( 1.096 0.633 2.275) 2.603 8.395 ( -7.428 -4.288 -2.871) 9.044 9.528 ( -0.919 -0.531 -2.504) 2.720 9.713 ( -25.639 -14.803 -9.049) 30.958 10.916 ( 11.130 6.426 0.805) 12.877 12.354 ( 2.054 1.186 -10.474) 10.739 12.772 ( -5.333 -3.079 24.063) 24.838 14.881 ( 6.218 3.590 1.895) 7.425 15.551 ( 17.074 9.858 0.660) 19.727 18.372 ( 0.561 0.324 -5.219) 5.259 18.666 ( -4.984 -2.878 -0.198) 5.758 18.873 ( -1.216 -0.702 0.788) 1.610 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( -13.986 -8.075 -2.756) 16.383 3.441 ( -3.911 -2.258 -2.504) 5.164 4.312 ( -7.950 -4.590 -9.659) 13.326 4.954 ( -16.259 -9.387 13.332) 23.026 6.111 ( -0.161 -0.093 -0.689) 0.714 6.184 ( -23.635 -13.645 0.809) 27.303 7.673 ( 0.384 0.221 -0.144) 0.466 8.262 ( -5.066 -2.925 6.112) 8.460 8.933 ( -38.115 -22.005 -9.925) 45.116 9.471 ( -3.656 -2.111 -1.081) 4.358 11.225 ( 15.098 8.717 0.519) 17.442 12.081 ( -17.647 -10.189 -7.714) 21.789 12.985 ( 12.776 7.376 14.094) 20.403 15.060 ( 9.033 5.215 -0.615) 10.448 15.980 ( 19.349 11.171 0.833) 22.358 18.392 ( 2.286 1.320 -2.205) 3.439 18.528 ( -6.838 -3.948 -0.215) 7.898 18.816 ( -4.047 -2.337 -0.168) 4.676 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -19.457 -11.234 -1.210) 22.500 3.053 ( -25.270 -14.589 -8.609) 30.422 4.206 ( -5.500 -3.176 -13.098) 14.556 4.659 ( -10.204 -5.891 24.407) 27.102 5.623 ( -24.682 -14.250 0.462) 28.504 6.109 ( -0.052 -0.030 -1.635) 1.636 7.689 ( 1.609 0.929 -2.738) 3.309 7.853 ( -44.040 -25.427 3.688) 50.987 8.272 ( -3.682 -2.126 -2.376) 4.871 9.355 ( -6.224 -3.594 1.122) 7.274 11.598 ( 16.730 9.659 0.162) 19.319 11.605 ( -21.094 -12.179 -4.934) 24.852 13.333 ( 13.803 7.969 6.702) 17.290 15.282 ( 11.363 6.560 -10.651) 16.900 16.428 ( 18.821 10.866 0.646) 21.742 18.355 ( -7.964 -4.598 -0.214) 9.199 18.469 ( 4.082 2.357 5.536) 7.271 18.677 ( -7.833 -4.522 -1.035) 9.104 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 0.000 17.858 31.347) 36.077 1.338 ( 0.000 26.851 29.170) 39.647 2.202 ( 0.000 47.997 42.868) 64.354 4.164 ( -0.000 11.786 -11.517) 16.478 4.308 ( -0.000 26.719 -13.650) 30.003 5.364 ( 0.000 -31.020 6.858) 31.769 6.911 ( -0.000 -6.551 -0.947) 6.619 7.906 ( -0.000 -7.307 -3.241) 7.993 8.262 ( 0.000 6.189 7.208) 9.501 8.906 ( 0.000 8.123 4.122) 9.109 9.708 ( -0.000 47.663 -32.473) 57.674 12.543 ( -0.000 -8.132 0.143) 8.133 13.563 ( -0.000 63.596 -60.621) 87.860 14.068 ( 0.000 -3.750 1.429) 4.013 17.114 ( -0.000 3.886 -7.622) 8.555 17.843 ( 0.000 3.762 -0.443) 3.788 17.864 ( 0.000 4.484 -0.160) 4.486 20.466 ( 0.000 -43.101 33.939) 54.860 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 16.170 16.563 19.480) 30.253 1.883 ( 18.476 25.827 21.568) 38.387 2.972 ( 17.812 40.053 30.161) 53.209 4.309 ( 5.305 17.195 -12.725) 22.039 4.745 ( 15.570 26.117 -14.217) 33.566 5.046 ( -6.549 -3.145 1.762) 7.475 6.822 ( -1.129 -6.794 -0.124) 6.888 7.947 ( 11.450 -7.371 0.237) 13.619 8.326 ( -2.807 5.369 11.755) 13.225 8.905 ( -6.785 14.062 -1.452) 15.680 10.219 ( 18.413 24.839 -20.680) 37.198 12.384 ( -6.637 -11.721 0.158) 13.471 13.946 ( -2.338 4.217 -8.253) 9.558 14.120 ( 15.902 19.623 -54.032) 59.644 17.096 ( -3.112 -1.501 -6.485) 7.348 17.836 ( 1.147 -0.136 -0.002) 1.155 18.072 ( 9.396 14.849 -1.507) 17.636 20.020 ( -16.032 -30.854 37.313) 51.003 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 22.455 15.016 5.587) 27.584 2.532 ( 20.323 22.349 14.710) 33.599 3.650 ( 14.205 19.797 13.634) 27.921 4.583 ( 7.624 12.872 -6.294) 16.230 4.735 ( -2.190 7.620 -6.949) 10.543 5.611 ( 26.830 33.173 -6.711) 43.189 6.790 ( 4.928 -1.278 -1.179) 5.226 8.114 ( 10.945 -4.412 7.672) 14.075 8.383 ( 0.931 5.535 16.471) 17.401 8.985 ( -0.529 15.925 -5.725) 16.931 10.678 ( 17.584 17.615 -16.552) 29.891 12.098 ( -10.966 -14.024 0.230) 17.804 13.809 ( -8.699 -5.896 4.657) 11.494 14.312 ( 8.553 8.907 -53.164) 54.579 16.907 ( -12.184 -5.454 -4.422) 14.062 17.905 ( 10.134 -6.322 -0.031) 11.945 18.415 ( 9.081 19.967 -1.596) 21.993 19.600 ( -15.309 -20.443 31.278) 40.380 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 23.937 12.437 -2.734) 27.113 3.101 ( 16.479 20.252 7.624) 27.200 3.832 ( -2.363 -3.170 -7.479) 8.460 4.783 ( 8.688 13.307 16.671) 23.033 5.086 ( 17.375 23.185 -13.244) 31.856 6.145 ( 8.264 8.162 0.638) 11.633 7.105 ( 24.814 17.984 -8.923) 31.918 8.186 ( -2.464 -1.266 13.705) 13.983 8.683 ( 17.801 7.947 19.454) 27.541 9.147 ( 3.136 15.038 -6.763) 16.784 11.083 ( 16.889 14.239 -18.064) 28.536 11.749 ( -12.858 -13.007 0.290) 18.292 13.577 ( -12.110 -7.842 7.749) 16.376 14.318 ( 3.640 3.856 -39.989) 40.339 16.565 ( -17.911 -7.044 -2.909) 19.465 18.036 ( 14.793 -11.668 -0.032) 18.841 18.737 ( 4.766 19.822 -0.208) 20.388 19.273 ( -12.513 -14.163 22.490) 29.377 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( 19.139 7.030 -1.583) 20.451 3.523 ( 2.932 8.423 2.223) 9.192 3.684 ( 4.257 4.553 -15.269) 16.492 5.174 ( 12.116 12.719 17.124) 24.532 5.613 ( 21.067 20.966 -10.363) 31.477 6.211 ( -0.049 -1.868 1.953) 2.702 7.771 ( 28.231 20.852 -6.287) 35.656 8.136 ( -6.835 -0.948 14.115) 15.711 9.173 ( 19.811 8.836 13.498) 25.549 9.337 ( 4.776 12.216 -4.490) 13.864 11.291 ( -3.924 -9.167 -6.092) 11.685 11.560 ( 6.861 12.793 -13.222) 19.636 13.302 ( -13.097 -8.231 12.402) 19.827 14.302 ( 3.942 2.922 -27.906) 28.335 16.147 ( -20.335 -7.832 -2.021) 21.885 18.168 ( 16.232 -16.361 0.115) 23.047 18.927 ( -4.598 5.103 8.245) 10.732 19.060 ( -5.757 3.858 7.096) 9.919 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( -7.789 -8.701 -2.555) 11.955 3.600 ( 10.862 4.106 -0.252) 11.615 4.072 ( 16.456 20.557 -12.452) 29.128 5.515 ( 9.043 7.847 13.331) 17.918 6.037 ( 8.650 -0.840 -2.106) 8.942 6.294 ( 12.105 16.214 -4.815) 20.799 8.019 ( -8.900 -2.835 11.884) 15.115 8.408 ( 22.887 16.897 2.801) 28.586 9.490 ( 5.193 7.136 -4.916) 10.103 9.570 ( 12.420 5.072 -1.236) 13.473 11.016 ( -11.325 -7.335 -0.396) 13.498 11.871 ( 11.181 15.488 -14.191) 23.796 13.082 ( -8.572 -5.255 17.568) 20.242 14.348 ( 6.579 2.808 -17.919) 19.294 15.709 ( -20.012 -7.914 -1.611) 21.580 18.265 ( 16.114 -20.669 0.368) 26.211 18.774 ( -7.541 -7.786 8.626) 13.853 19.156 ( -5.101 19.557 0.483) 20.217 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( -4.798 -7.738 -1.286) 9.195 3.773 ( 4.980 3.171 0.403) 5.918 4.495 ( 13.634 17.600 -10.271) 24.518 5.708 ( 3.314 1.729 8.516) 9.300 6.039 ( 1.521 -5.146 0.420) 5.383 6.770 ( 18.077 19.074 -5.067) 26.763 7.845 ( -10.255 -4.758 8.281) 14.014 8.866 ( 10.835 7.966 8.676) 16.004 9.571 ( 0.933 -1.166 0.579) 1.602 9.771 ( 11.649 6.735 -23.338) 26.939 10.800 ( -9.543 1.602 -0.939) 9.722 12.081 ( 1.610 6.681 2.468) 7.302 13.055 ( 0.733 2.974 14.561) 14.879 14.465 ( 8.497 2.512 -10.132) 13.460 15.309 ( -15.997 -6.991 -1.714) 17.542 18.315 ( 15.428 -23.979 0.645) 28.521 18.610 ( -5.431 -6.118 3.081) 8.742 19.239 ( -8.514 20.342 0.731) 22.064 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 0.762 -5.070 0.378) 5.141 3.844 ( 0.019 2.457 -0.105) 2.459 4.803 ( 6.441 13.178 -6.295) 15.962 5.729 ( -1.334 -3.812 4.265) 5.874 6.028 ( 1.419 -3.093 0.588) 3.453 7.195 ( 12.243 12.042 -2.180) 17.311 7.638 ( -10.063 -3.203 4.627) 11.530 8.944 ( -5.367 -2.488 0.702) 5.957 9.515 ( 0.264 -8.831 -1.110) 8.905 10.025 ( 12.333 13.553 -22.776) 29.232 10.714 ( -5.977 8.501 -1.362) 10.480 12.113 ( -2.691 -1.314 18.259) 18.503 13.177 ( 0.186 6.702 8.654) 10.948 14.605 ( 6.691 2.100 -4.057) 8.102 15.049 ( -5.162 -3.955 -2.443) 6.946 18.329 ( 14.634 -25.410 0.709) 29.331 18.484 ( -3.174 -4.681 -1.009) 5.745 19.276 ( -10.896 20.325 0.845) 23.076 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 6.917 -1.733 1.392) 7.265 3.824 ( -4.675 1.779 -0.670) 5.046 4.921 ( -3.663 8.231 -3.718) 9.747 5.618 ( -6.006 -7.826 1.010) 9.916 6.033 ( 2.620 -3.182 1.792) 4.495 7.246 ( -8.489 -7.377 -1.170) 11.307 7.615 ( 0.686 11.206 4.472) 12.085 8.728 ( -11.283 -5.361 -7.329) 14.483 9.452 ( 4.088 -8.840 -2.089) 9.961 10.192 ( -1.420 8.217 -17.157) 19.076 10.751 ( -1.326 11.848 -0.581) 11.936 12.142 ( 2.349 -1.796 18.757) 18.989 13.172 ( -9.767 2.054 8.863) 13.348 14.697 ( 3.986 0.935 -1.076) 4.233 15.079 ( 9.363 2.957 -1.795) 9.981 18.322 ( 12.887 -23.884 0.149) 27.139 18.401 ( -0.188 -4.891 -2.996) 5.739 19.275 ( -12.517 19.440 0.808) 23.135 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 11.033 0.991 1.472) 11.175 3.712 ( -9.455 0.946 -1.059) 9.561 4.806 ( -14.227 2.251 -6.142) 15.659 5.391 ( -9.301 -9.690 2.177) 13.607 6.057 ( 3.064 -4.664 3.269) 6.468 6.934 ( -16.900 -7.631 -1.950) 18.645 7.722 ( -2.362 7.757 6.088) 10.140 8.467 ( -8.694 -5.504 -6.371) 12.103 9.462 ( 4.659 -4.293 -4.206) 7.604 9.993 ( -19.285 -2.621 -10.372) 22.054 10.878 ( 2.503 11.039 0.727) 11.342 12.279 ( 6.883 2.294 2.916) 7.819 12.976 ( -13.809 -3.227 15.771) 21.210 14.789 ( 6.525 0.403 -0.725) 6.578 15.366 ( 15.757 9.314 -0.224) 18.305 18.300 ( 11.105 -22.082 -0.228) 24.718 18.358 ( 1.754 -4.603 -3.162) 5.854 19.235 ( -13.742 17.517 0.615) 22.272 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( 4.042 -0.365 -0.026) 4.059 3.521 ( -10.726 1.632 -1.009) 10.897 4.456 ( -18.747 -4.382 -13.354) 23.430 5.144 ( -11.468 -8.649 11.686) 18.517 6.055 ( 1.687 -5.454 1.750) 5.971 6.510 ( -22.661 -6.596 -2.198) 23.704 7.739 ( -4.401 5.078 4.805) 8.261 8.301 ( -3.379 -4.615 -0.013) 5.720 9.324 ( -25.391 -12.824 -8.507) 29.691 9.563 ( -10.434 1.336 -1.979) 10.704 11.078 ( 9.709 7.785 1.188) 12.501 12.257 ( -11.922 -1.511 -12.731) 17.507 12.917 ( 5.249 0.572 21.492) 22.131 14.927 ( 9.106 1.116 -3.200) 9.716 15.777 ( 18.263 12.510 0.302) 22.139 18.251 ( 9.681 -24.256 0.119) 26.117 18.360 ( 2.139 0.242 -1.021) 2.382 19.149 ( -15.022 14.515 0.207) 20.890 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( -19.181 -5.751 -0.102) 20.024 3.383 ( -18.977 0.581 -6.117) 19.947 4.159 ( -1.638 -3.503 -15.067) 15.556 4.874 ( -14.709 -10.289 21.821) 28.256 5.933 ( -19.098 -7.253 -1.324) 20.472 6.118 ( -5.540 -1.556 -1.803) 6.030 7.720 ( -3.721 3.310 1.716) 5.268 8.245 ( -0.389 -3.816 7.814) 8.705 8.470 ( -46.007 -16.600 -7.272) 49.448 9.474 ( -6.972 2.597 -1.037) 7.512 11.376 ( 16.330 5.458 0.686) 17.232 11.863 ( -21.753 -6.476 -8.751) 24.325 13.189 ( 13.680 4.834 10.983) 18.198 15.095 ( 10.829 1.955 -11.859) 16.178 16.228 ( 18.447 13.022 0.238) 22.581 18.152 ( 6.116 -22.584 -0.283) 23.400 18.436 ( 4.533 2.017 6.260) 7.988 19.001 ( -16.805 10.837 -0.458) 20.002 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.000 18.823 16.313) 24.908 2.055 ( 0.000 27.244 20.485) 34.087 3.340 ( 0.000 38.263 24.974) 45.692 4.422 ( -0.000 21.586 -13.036) 25.216 4.842 ( -0.000 15.109 -8.018) 17.105 5.131 ( -0.000 22.770 -4.824) 23.275 6.755 ( -0.000 -7.048 -0.543) 7.068 7.781 ( 0.000 -3.822 0.937) 3.935 8.455 ( 0.000 6.284 13.941) 15.292 9.083 ( 0.000 7.473 1.276) 7.581 10.277 ( -0.000 31.164 -22.199) 38.262 12.313 ( -0.000 -14.523 0.124) 14.523 13.951 ( -0.000 -8.495 1.089) 8.564 14.050 ( -0.000 27.856 -56.186) 62.712 17.053 ( -0.000 -7.119 -5.524) 9.011 17.989 ( 0.000 7.827 -0.083) 7.828 18.021 ( 0.000 14.552 -2.150) 14.710 19.932 ( 0.000 -33.082 33.905) 47.370 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 11.234 19.029 6.290) 22.975 2.502 ( 13.637 23.199 15.638) 31.125 3.746 ( 3.757 18.867 10.748) 22.037 4.654 ( 4.001 24.284 -10.111) 26.607 4.847 ( -3.742 6.987 0.708) 7.958 5.618 ( 13.304 42.260 -8.024) 45.026 6.713 ( 1.623 0.003 -2.221) 2.751 7.878 ( 12.115 -1.107 5.712) 13.440 8.533 ( -3.279 5.565 18.057) 19.177 9.142 ( -1.223 10.362 -2.346) 10.695 10.594 ( 9.311 25.231 -19.259) 33.079 12.097 ( -6.505 -16.549 0.215) 17.783 13.850 ( -2.329 -9.784 3.225) 10.562 14.149 ( 4.040 15.938 -48.922) 51.611 16.935 ( -1.536 -11.345 -4.340) 12.244 17.883 ( -9.350 4.923 -0.120) 10.568 18.396 ( 14.186 17.577 -1.696) 22.651 19.656 ( -7.363 -26.801 29.300) 40.385 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 16.837 18.504 -3.196) 25.221 3.030 ( 17.002 19.207 9.476) 27.345 3.838 ( -3.418 -2.103 -4.510) 6.037 4.915 ( 1.339 19.074 16.125) 25.012 5.062 ( 10.203 26.263 -13.444) 31.218 6.104 ( 7.488 11.266 -0.200) 13.529 6.929 ( 14.865 24.424 -10.407) 30.427 8.153 ( 11.975 2.074 11.460) 16.704 8.626 ( 3.228 6.284 21.014) 22.169 9.250 ( 1.273 12.883 -4.791) 13.804 10.943 ( 11.493 20.003 -19.020) 29.899 11.791 ( -8.991 -15.956 0.517) 18.322 13.687 ( -7.069 -9.389 5.953) 13.175 14.187 ( 2.952 8.473 -39.340) 40.351 16.725 ( -8.698 -11.055 -3.040) 14.391 17.803 ( -0.584 -3.302 0.163) 3.357 18.794 ( 10.759 18.117 -0.549) 21.078 19.358 ( -8.766 -20.401 22.403) 31.543 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( 17.628 16.349 -6.730) 24.967 3.514 ( 14.560 16.925 3.171) 22.550 3.646 ( -6.861 -7.990 -8.855) 13.760 5.220 ( 5.725 16.634 17.467) 24.791 5.516 ( 14.597 26.803 -10.618) 32.315 6.174 ( 0.977 -4.428 2.073) 4.986 7.538 ( 23.352 29.390 -9.421) 38.703 8.280 ( -3.290 1.070 14.982) 15.377 8.964 ( 17.794 7.378 14.675) 24.217 9.397 ( 2.373 12.431 -4.212) 13.338 11.223 ( 4.974 8.502 -13.833) 16.982 11.552 ( -0.855 -2.059 -4.503) 5.025 13.465 ( -10.687 -8.388 9.525) 16.592 14.190 ( 2.743 5.220 -29.100) 29.692 16.398 ( -16.263 -8.936 -1.761) 18.640 17.791 ( 7.548 -12.051 0.164) 14.221 19.039 ( -4.793 -5.789 12.958) 14.980 19.169 ( 2.391 7.723 2.833) 8.567 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( -4.957 -8.183 -1.375) 9.666 3.468 ( 9.640 10.646 -7.559) 16.230 3.967 ( 15.821 18.405 -6.786) 25.201 5.520 ( 6.221 10.937 14.460) 19.168 5.938 ( 6.632 11.337 -3.633) 13.628 6.209 ( 10.304 6.616 -2.282) 12.456 8.135 ( 6.876 7.075 6.181) 11.642 8.272 ( 7.118 15.319 6.438) 18.077 9.333 ( 14.618 2.743 -3.588) 15.300 9.536 ( 1.939 7.890 0.198) 8.127 11.128 ( -8.148 -2.746 0.051) 8.598 11.786 ( 13.431 17.646 -14.012) 26.232 13.238 ( -10.195 -6.418 14.075) 18.526 14.218 ( 4.729 3.590 -19.910) 20.776 15.991 ( -20.286 -7.203 -0.944) 21.548 17.807 ( 11.833 -19.147 0.360) 22.511 18.833 ( -7.142 -11.896 9.945) 17.072 19.378 ( 1.162 17.127 -0.008) 17.166 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( -6.020 -10.959 -1.481) 12.591 3.735 ( 6.582 10.618 -1.207) 12.551 4.398 ( 15.499 18.427 -10.367) 26.216 5.717 ( 2.231 4.263 9.971) 11.072 5.963 ( 0.722 -4.253 0.969) 4.422 6.643 ( 18.136 19.380 -3.940) 26.833 8.009 ( -10.790 -5.697 10.755) 16.265 8.788 ( 14.620 17.288 4.954) 23.177 9.527 ( 11.541 2.273 -14.861) 18.952 9.585 ( -0.697 -0.388 -3.913) 3.994 11.001 ( -8.490 6.880 0.240) 10.931 12.113 ( 6.836 12.740 -2.459) 14.666 13.126 ( -2.230 -0.447 13.761) 13.948 14.306 ( 7.835 2.617 -12.337) 14.847 15.564 ( -20.577 -5.828 -0.645) 21.396 17.814 ( 13.734 -24.280 0.767) 27.905 18.641 ( -5.488 -9.074 4.376) 11.472 19.532 ( -3.132 17.187 0.384) 17.474 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( -1.001 -9.383 0.058) 9.436 3.896 ( 0.648 9.388 1.040) 9.467 4.783 ( 11.458 16.634 -8.864) 22.058 5.730 ( -2.440 -3.921 5.173) 6.935 5.963 ( 2.217 -3.093 1.236) 4.001 7.097 ( 13.996 13.158 -0.359) 19.213 7.797 ( -9.762 -2.879 5.835) 11.732 8.999 ( -1.696 1.560 -0.126) 2.308 9.460 ( -5.074 -8.387 -2.435) 10.100 9.832 ( 18.442 14.492 -19.278) 30.360 10.964 ( -8.767 14.876 -0.939) 17.293 12.214 ( -3.325 -0.748 16.050) 16.408 13.238 ( 4.712 7.682 5.666) 10.646 14.459 ( 9.963 2.733 -6.417) 12.161 15.185 ( -16.033 -4.261 -0.935) 16.616 17.805 ( 14.864 -27.244 1.185) 31.058 18.491 ( -3.752 -6.445 0.130) 7.459 19.619 ( -6.617 16.869 0.582) 18.130 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 5.558 -6.520 1.017) 8.628 3.957 ( -4.573 8.803 1.752) 10.073 5.041 ( 2.435 14.016 -6.145) 15.497 5.621 ( -4.218 -9.076 2.849) 10.406 5.958 ( 1.544 -4.209 0.048) 4.484 7.256 ( -1.221 -6.891 3.106) 7.656 7.771 ( -0.737 14.653 2.938) 14.962 8.847 ( -10.580 -4.222 -9.329) 14.724 9.299 ( 0.037 -9.709 -2.210) 9.957 10.195 ( 8.963 15.033 -16.768) 24.238 10.981 ( -7.658 18.025 -0.718) 19.597 12.165 ( -2.534 -7.809 23.745) 25.124 13.360 ( -2.864 6.194 3.167) 7.523 14.628 ( 5.908 2.006 -2.123) 6.590 14.990 ( -0.502 0.835 -1.921) 2.154 17.797 ( 15.700 -27.943 1.375) 32.081 18.384 ( -2.007 -4.042 -2.409) 5.116 19.646 ( -9.352 15.902 0.635) 18.459 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( 11.549 -3.311 1.268) 12.081 3.923 ( -9.671 7.926 1.738) 12.624 5.070 ( -11.136 8.669 -8.988) 16.732 5.427 ( -6.242 -10.656 3.261) 12.773 5.955 ( 3.389 -5.753 2.789) 7.237 7.072 ( -8.925 -9.248 0.650) 12.869 7.919 ( -4.021 14.422 7.490) 16.741 8.556 ( -11.417 -6.099 -11.081) 17.039 9.288 ( 7.405 -4.150 -3.676) 9.250 10.239 ( -10.935 5.706 -13.039) 17.948 11.051 ( -5.531 16.882 -0.139) 17.765 12.183 ( 5.799 -5.645 16.581) 18.451 13.252 ( -14.060 0.034 6.246) 15.385 14.680 ( 3.883 -1.749 -1.939) 4.679 15.193 ( 14.391 9.967 -1.041) 17.536 17.799 ( 15.551 -26.803 1.210) 31.011 18.327 ( -0.207 -1.825 -2.782) 3.334 19.617 ( -11.534 14.053 0.561) 18.189 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 14.000 -0.937 0.661) 14.047 3.788 ( -14.497 5.874 1.665) 15.730 4.752 ( -22.307 -1.280 -17.922) 28.643 5.264 ( -7.196 -5.787 12.077) 15.203 5.967 ( 3.190 -5.418 3.599) 7.245 6.776 ( -16.033 -7.024 -2.130) 17.633 7.953 ( -8.523 9.853 9.408) 16.070 8.310 ( -5.693 -6.371 -5.922) 10.396 9.390 ( 4.229 1.681 -6.926) 8.287 9.891 ( -24.727 -2.903 -5.683) 25.538 11.105 ( -2.808 9.688 1.593) 10.212 12.310 ( 4.214 1.709 -4.117) 6.134 13.002 ( -11.261 -5.042 15.586) 19.878 14.759 ( 8.040 -1.602 -4.503) 9.353 15.594 ( 17.648 13.157 -0.189) 22.014 17.802 ( 13.696 -24.277 0.774) 27.885 18.326 ( 1.807 0.174 -0.369) 1.852 19.529 ( -13.441 11.310 0.353) 17.570 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.376 ( -1.718 -0.546 -0.111) 1.806 3.587 ( -9.866 3.556 1.001) 10.535 4.262 ( -21.641 -2.507 -21.243) 30.428 5.085 ( -12.300 -7.511 19.297) 24.084 5.990 ( 2.477 -1.070 1.477) 3.076 6.362 ( -22.297 -6.260 -4.555) 23.602 7.900 ( -9.624 6.283 7.263) 13.595 8.201 ( 0.165 -5.566 0.383) 5.582 9.089 ( -37.245 -4.775 -5.332) 37.927 9.601 ( -4.475 2.526 -1.146) 5.265 11.207 ( 7.203 3.662 1.477) 8.214 12.156 ( -18.623 0.052 -13.411) 22.949 13.027 ( 10.913 -2.031 16.165) 19.609 14.881 ( 9.858 -0.983 -11.269) 15.005 16.040 ( 18.433 12.516 -0.082) 22.281 17.790 ( 10.372 -19.896 0.286) 22.439 18.396 ( 4.334 1.766 5.505) 7.226 19.377 ( -15.383 7.893 -0.020) 17.290 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 0.000 21.974 2.505) 22.116 2.655 ( 0.000 21.462 14.295) 25.787 3.878 ( 0.000 6.898 1.042) 6.976 4.839 ( -0.000 27.808 -13.347) 30.845 5.005 ( 0.000 14.079 9.575) 17.026 5.886 ( -0.000 32.282 -5.210) 32.700 6.761 ( -0.000 17.155 -4.846) 17.827 7.782 ( 0.000 1.492 7.159) 7.312 8.685 ( 0.000 5.501 20.633) 21.354 9.209 ( -0.000 5.318 -2.499) 5.876 10.727 ( -0.000 27.400 -19.706) 33.750 11.982 ( -0.000 -18.241 0.127) 18.242 13.758 ( -0.000 -9.171 -2.483) 9.501 14.144 ( -0.000 13.509 -36.771) 39.174 16.778 ( -0.000 -16.474 -3.627) 16.869 18.164 ( 0.000 9.374 0.064) 9.374 18.335 ( 0.000 16.574 -1.904) 16.683 19.532 ( 0.000 -26.671 26.005) 37.251 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 7.909 23.411 -3.625) 24.975 2.995 ( 10.857 17.762 10.664) 23.389 3.858 ( -3.309 -3.471 -6.088) 7.750 5.137 ( 5.857 28.979 -10.211) 31.279 5.189 ( -1.545 18.876 11.394) 22.102 6.102 ( 2.820 5.190 0.920) 5.977 7.052 ( 3.364 38.680 -11.476) 40.487 7.976 ( 14.051 5.274 11.025) 18.623 8.768 ( -3.408 4.738 22.174) 22.929 9.285 ( 3.874 6.174 -3.897) 8.265 10.970 ( 4.535 24.517 -19.183) 31.459 11.747 ( -5.132 -17.990 0.332) 18.711 13.666 ( -0.764 -8.469 1.223) 8.591 14.151 ( -0.365 10.251 -31.763) 33.378 16.606 ( 1.308 -18.539 -2.958) 18.819 18.011 ( -17.383 7.241 0.042) 18.831 18.722 ( 16.269 15.293 -0.812) 22.343 19.317 ( -4.037 -23.210 21.185) 31.683 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 12.116 22.964 -8.027) 27.177 3.417 ( 15.163 14.772 5.694) 21.922 3.676 ( -7.779 -7.638 -7.379) 13.164 5.396 ( 0.328 16.411 13.517) 21.264 5.545 ( 10.786 28.752 -8.967) 31.991 6.127 ( -0.040 -3.731 2.239) 4.352 7.525 ( 11.587 35.353 -10.170) 38.568 8.316 ( 9.081 5.226 13.613) 17.178 8.861 ( 4.443 3.935 14.947) 16.083 9.430 ( 5.158 8.018 -2.749) 9.923 11.233 ( 4.741 19.643 -15.428) 25.423 11.506 ( -2.332 -10.745 -1.638) 11.116 13.552 ( -5.277 -6.886 6.490) 10.835 14.140 ( -0.020 7.459 -26.874) 27.890 16.417 ( -1.720 -17.854 -1.933) 18.041 17.780 ( -13.185 0.500 0.299) 13.198 19.061 ( -3.349 -12.459 14.492) 19.402 19.142 ( 10.458 7.989 0.988) 13.197 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( 3.848 3.745 -3.155) 6.228 3.466 ( -1.136 7.992 -10.562) 13.293 3.839 ( 15.922 13.825 -0.131) 21.087 5.602 ( 2.600 10.778 12.717) 16.871 5.996 ( 6.815 23.419 -5.286) 24.957 6.085 ( 4.594 -1.228 0.434) 4.775 8.064 ( 15.759 23.800 -1.880) 28.607 8.409 ( -4.063 2.838 15.370) 16.149 9.082 ( 13.500 -0.255 -3.686) 13.997 9.580 ( 2.760 7.481 -0.131) 7.975 11.243 ( -5.460 -0.267 1.354) 5.631 11.673 ( 13.840 18.201 -13.608) 26.608 13.389 ( -9.253 -5.089 10.262) 14.726 14.140 ( 1.778 5.248 -20.227) 20.972 16.164 ( -8.827 -13.892 -0.731) 16.475 17.580 ( -5.013 -8.981 0.332) 10.290 18.844 ( -5.770 -14.944 10.530) 19.171 19.453 ( 8.046 13.827 -0.154) 15.998 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -7.816 -12.068 -1.667) 14.475 3.760 ( 7.225 20.178 -4.570) 21.914 4.251 ( 16.899 14.252 -6.597) 23.070 5.766 ( 2.201 5.219 10.207) 11.674 5.961 ( -4.163 -3.006 1.038) 5.239 6.517 ( 16.758 20.859 -3.326) 26.963 8.165 ( -9.689 -6.049 11.726) 16.370 8.730 ( 16.247 20.448 5.457) 26.681 9.253 ( 12.964 -1.451 -16.810) 21.278 9.631 ( -3.026 1.680 -0.247) 3.470 11.206 ( -4.109 9.199 0.927) 10.118 12.071 ( 12.605 16.582 -5.157) 21.458 13.225 ( -7.245 -3.252 10.506) 13.170 14.189 ( 4.717 4.279 -13.090) 14.557 15.836 ( -15.707 -8.190 0.088) 17.714 17.427 ( 3.128 -18.731 0.549) 18.998 18.644 ( -4.878 -11.394 5.470) 13.548 19.687 ( 3.231 13.534 0.167) 13.915 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( -4.201 -11.359 -0.272) 12.115 4.017 ( 1.381 17.508 0.757) 17.578 4.663 ( 16.661 14.162 -9.064) 23.671 5.785 ( -5.497 -2.564 4.833) 7.756 5.910 ( 1.559 -2.156 2.693) 3.786 6.972 ( 14.728 13.382 0.365) 19.903 7.951 ( -9.544 -3.881 6.371) 12.114 9.017 ( 1.899 0.133 -0.575) 1.989 9.499 ( -6.020 -7.810 3.928) 10.614 9.578 ( 19.733 19.105 -20.590) 34.327 11.267 ( -5.801 18.105 -0.503) 19.018 12.300 ( -0.311 2.740 10.916) 11.259 13.205 ( 4.499 1.338 2.632) 5.382 14.314 ( 8.110 5.152 -7.062) 11.925 15.476 ( -19.131 -2.347 0.250) 19.277 17.315 ( 9.505 -25.955 1.050) 27.661 18.484 ( -3.606 -8.077 1.469) 8.967 19.838 ( -1.119 13.060 0.341) 13.112 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 2.057 -9.143 0.615) 9.392 4.166 ( -4.116 15.761 3.124) 16.587 5.030 ( 12.295 12.825 -7.750) 19.383 5.633 ( -6.476 -8.325 4.139) 11.330 5.908 ( -0.008 -2.842 -0.585) 2.902 7.189 ( 2.659 -5.353 5.016) 7.803 7.920 ( 0.943 13.556 1.454) 13.666 8.924 ( -6.285 -5.158 -9.549) 12.542 9.273 ( -7.506 -8.541 0.395) 11.377 10.089 ( 17.335 20.722 -14.477) 30.651 11.332 ( -9.132 20.625 -0.593) 22.564 12.229 ( -7.077 -9.886 22.714) 25.763 13.354 ( 8.083 1.017 -2.834) 8.626 14.515 ( 9.356 5.579 -3.006) 11.300 15.165 ( -15.967 4.284 -0.254) 16.533 17.250 ( 14.372 -28.988 1.515) 32.391 18.369 ( -2.134 -5.025 -1.042) 5.558 19.913 ( -4.916 12.012 0.421) 12.986 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 9.136 -5.990 0.883) 10.960 4.208 ( -9.342 13.665 3.551) 16.930 5.233 ( -0.751 5.667 -10.588) 12.032 5.450 ( -5.086 -5.664 5.960) 9.668 5.862 ( 0.460 -5.189 -0.062) 5.209 7.084 ( -3.920 -10.602 4.546) 12.183 8.146 ( 0.622 18.552 5.027) 19.231 8.656 ( -11.859 -7.084 -13.591) 19.379 9.151 ( 2.015 -4.486 0.740) 4.973 10.390 ( -0.182 14.938 -17.024) 22.649 11.374 ( -9.012 19.833 -0.287) 21.786 12.089 ( -0.832 -14.918 24.216) 28.454 13.408 ( -1.661 -2.148 -1.543) 3.123 14.628 ( 0.528 -0.988 -1.731) 2.062 15.129 ( 3.371 14.078 -0.731) 14.495 17.247 ( 17.259 -27.327 1.566) 32.359 18.305 ( -0.487 -2.276 -1.651) 2.853 19.911 ( -8.144 10.105 0.418) 12.985 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 14.514 -3.139 0.488) 14.858 4.129 ( -14.569 9.149 3.070) 17.476 5.002 ( -14.939 -5.145 -16.900) 23.136 5.406 ( -7.347 3.555 9.895) 12.827 5.854 ( 4.614 -5.917 3.368) 8.225 6.908 ( -7.902 -7.273 1.950) 10.915 8.260 ( -8.683 13.266 10.642) 19.095 8.346 ( -9.630 -7.425 -10.994) 16.393 9.259 ( 10.327 2.807 -2.931) 11.096 10.251 ( -19.529 3.726 -12.553) 23.512 11.359 ( -12.358 11.850 0.621) 17.132 12.139 ( 12.468 -7.097 11.787) 18.568 13.233 ( -13.989 -4.456 3.021) 14.989 14.617 ( 3.448 -2.091 -4.176) 5.805 15.446 ( 13.959 13.909 -0.091) 19.705 17.306 ( 17.187 -21.660 1.170) 27.675 18.299 ( 1.414 0.046 0.028) 1.415 19.835 ( -10.841 7.312 0.333) 13.081 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 15.802 -1.422 -0.568) 15.876 3.903 ( -18.427 1.947 2.055) 18.644 4.596 ( -21.986 1.557 -21.295) 30.648 5.290 ( -11.148 -2.322 17.063) 20.514 5.912 ( 5.281 -2.084 2.826) 6.342 6.644 ( -16.764 -3.742 -2.410) 17.345 8.134 ( -3.965 -7.034 -2.354) 8.411 8.222 ( -11.330 9.054 9.931) 17.578 9.448 ( 2.005 7.856 -6.987) 10.704 9.794 ( -25.701 -3.763 -3.332) 26.188 11.241 ( -7.115 1.951 1.568) 7.543 12.314 ( 2.687 3.212 -9.251) 10.155 12.961 ( -7.352 -7.933 13.499) 17.297 14.680 ( 7.484 -1.496 -9.358) 12.075 15.835 ( 17.187 8.483 0.071) 19.167 17.412 ( 14.445 -12.461 0.674) 19.089 18.358 ( 3.753 1.695 4.273) 5.934 19.684 ( -13.162 3.838 0.165) 13.711 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( -0.000 25.922 -4.583) 26.324 3.100 ( 0.000 15.674 9.512) 18.335 3.823 ( -0.000 -5.324 -8.096) 9.689 5.336 ( -0.000 29.392 -12.157) 31.808 5.426 ( 0.000 16.515 12.039) 20.437 6.110 ( 0.000 0.465 2.000) 2.054 7.438 ( -0.000 44.513 -12.214) 46.158 7.924 ( 0.000 5.672 12.422) 13.655 8.933 ( 0.000 4.803 24.062) 24.537 9.262 ( -0.000 2.873 -5.768) 6.444 11.124 ( -0.000 24.666 -18.018) 30.546 11.604 ( -0.000 -19.137 0.082) 19.138 13.604 ( 0.000 -4.615 1.132) 4.752 14.164 ( -0.000 8.952 -26.168) 27.657 16.378 ( -0.000 -20.926 -2.830) 21.116 18.354 ( 0.000 9.264 0.190) 9.266 18.622 ( 0.000 12.521 -0.703) 12.541 19.184 ( 0.000 -22.408 18.512) 29.066 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 5.379 24.885 -6.430) 26.260 3.357 ( 9.330 12.905 7.078) 17.427 3.699 ( -4.795 -5.063 -8.468) 10.969 5.573 ( -0.531 13.841 4.296) 14.502 5.667 ( 5.791 26.260 -2.596) 27.016 6.121 ( -0.284 0.763 1.511) 1.717 7.761 ( -1.457 32.606 -7.175) 33.418 8.199 ( 14.633 8.951 10.392) 20.055 8.970 ( -6.413 2.335 14.570) 16.089 9.366 ( 8.188 4.849 -1.512) 9.635 11.339 ( 2.439 22.176 -13.665) 26.162 11.402 ( -0.770 -14.505 -1.555) 14.608 13.576 ( -1.432 -1.888 4.974) 5.509 14.154 ( -1.448 7.614 -23.357) 24.610 16.180 ( 2.616 -21.880 -2.313) 22.157 18.154 ( -22.222 6.668 0.277) 23.203 18.982 ( 16.715 7.712 0.197) 18.409 19.002 ( -1.379 -16.391 14.276) 21.780 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 2.353 4.215 -4.142) 6.361 3.563 ( -0.759 12.977 -11.933) 17.646 3.718 ( 12.285 11.745 5.380) 17.827 5.688 ( 1.141 5.301 8.442) 10.034 6.039 ( 5.973 16.699 -1.382) 17.789 6.137 ( 0.291 12.569 -2.264) 12.775 8.082 ( 8.356 21.649 0.095) 23.206 8.498 ( 5.181 3.011 15.168) 16.308 8.911 ( 0.012 -1.613 -4.928) 5.185 9.571 ( 6.993 7.147 0.535) 10.013 11.248 ( 0.655 -9.220 0.366) 9.250 11.654 ( 8.346 25.261 -10.673) 28.665 13.521 ( -6.308 -0.928 7.797) 10.072 14.131 ( -0.938 6.455 -19.536) 20.596 16.008 ( 2.965 -21.524 -1.238) 21.762 17.808 ( -22.143 1.623 0.373) 22.205 18.802 ( -3.747 -16.313 10.378) 19.694 19.376 ( 14.558 10.387 -0.003) 17.884 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( -8.111 -11.423 -2.232) 14.186 3.852 ( 7.544 26.787 -9.799) 29.504 4.080 ( 14.840 10.403 1.293) 18.169 5.781 ( 3.048 0.695 8.016) 8.604 6.032 ( -5.383 -0.436 0.864) 5.469 6.507 ( 10.109 25.573 -2.913) 27.652 8.286 ( -5.351 -4.324 10.727) 12.744 8.668 ( 11.530 10.662 10.510) 18.897 8.973 ( 11.138 0.461 -15.281) 18.915 9.697 ( -0.393 4.813 -1.818) 5.159 11.260 ( 5.504 1.530 -0.709) 5.756 12.047 ( 10.046 23.440 -3.832) 25.788 13.380 ( -10.440 -2.198 6.401) 12.442 14.146 ( 1.696 6.390 -12.903) 14.498 15.838 ( 0.438 -18.047 0.039) 18.053 17.436 ( -18.115 -5.743 0.297) 19.006 18.618 ( -3.780 -12.585 6.221) 14.539 19.690 ( 9.906 9.863 0.080) 13.979 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -7.396 -11.075 -0.861) 13.346 4.191 ( 3.081 24.178 -1.764) 24.437 4.455 ( 17.701 10.059 -5.415) 21.068 5.848 ( 1.431 -1.264 4.717) 5.089 5.903 ( -6.220 -4.243 2.039) 7.801 6.904 ( 9.959 17.590 0.208) 20.214 8.083 ( -9.040 -6.201 5.307) 12.179 8.904 ( 7.143 -6.252 0.336) 9.498 9.297 ( 19.800 10.517 -0.666) 22.430 9.647 ( -6.412 6.140 -8.774) 12.482 11.440 ( 5.837 12.492 -1.131) 13.835 12.369 ( 3.112 13.000 5.301) 14.380 13.195 ( -6.229 -4.679 0.668) 7.820 14.245 ( 5.070 8.200 -6.561) 11.662 15.665 ( -4.734 -9.055 0.812) 10.250 17.080 ( -10.144 -15.859 0.406) 18.830 18.464 ( -3.121 -8.896 2.682) 9.802 19.917 ( 5.134 9.267 0.148) 10.595 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -2.873 -9.118 0.096) 9.561 4.419 ( -2.646 20.418 3.075) 20.817 4.845 ( 17.735 9.076 -7.260) 21.204 5.694 ( -8.344 -8.503 2.799) 12.238 5.886 ( 0.705 -1.523 0.839) 1.876 7.123 ( 2.372 -0.122 3.742) 4.432 8.020 ( 1.185 9.704 0.373) 9.783 8.883 ( 0.543 -8.073 -5.460) 9.761 9.344 ( -8.298 -9.151 3.216) 12.764 9.949 ( 19.150 24.109 -10.486) 32.526 11.629 ( -1.871 15.340 -0.773) 15.473 12.389 ( -10.881 -0.704 16.430) 19.719 13.142 ( 8.023 -6.828 -6.507) 12.383 14.430 ( 7.219 8.599 -2.787) 11.568 15.506 ( -11.833 5.984 0.509) 13.270 16.796 ( 2.426 -26.373 0.969) 26.502 18.352 ( -2.046 -5.424 0.259) 5.803 20.053 ( 0.522 8.153 0.203) 8.172 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 4.028 -6.071 0.455) 7.300 4.524 ( -7.969 16.175 3.988) 18.467 5.150 ( 9.915 1.815 -6.891) 12.210 5.494 ( -4.044 -5.642 3.446) 7.749 5.854 ( -2.712 -1.465 -1.312) 3.350 7.057 ( -3.132 -8.582 4.419) 10.148 8.272 ( 7.354 18.719 1.437) 20.163 8.720 ( -7.625 -7.797 -10.457) 15.109 9.135 ( -5.326 -6.895 4.739) 9.918 10.434 ( 11.257 22.540 -15.086) 29.367 11.656 ( -5.646 5.587 3.350) 8.620 12.169 ( -15.278 -6.153 18.182) 24.533 13.243 ( 12.052 -6.904 -5.883) 15.084 14.592 ( 3.860 2.635 -1.310) 4.854 15.399 ( -13.419 18.381 -0.191) 22.758 16.679 ( 15.841 -28.285 1.461) 32.451 18.288 ( -0.672 -2.332 -0.658) 2.514 20.098 ( -3.749 6.199 0.228) 7.248 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 10.875 -2.979 0.247) 11.279 4.469 ( -13.597 6.776 2.778) 15.444 5.083 ( -6.670 -5.032 -8.286) 11.767 5.568 ( 3.689 7.263 3.330) 8.800 5.757 ( -3.596 -5.075 1.285) 6.351 6.941 ( -3.093 -5.718 4.425) 7.864 8.419 ( -11.657 -7.625 -12.273) 18.565 8.541 ( -1.681 15.982 7.488) 17.729 9.107 ( 6.637 -1.715 3.548) 7.718 10.566 ( -12.479 14.219 -20.153) 27.641 11.676 ( -2.489 6.856 1.335) 7.415 11.906 ( -3.621 -15.965 19.515) 25.472 13.314 ( 1.316 -3.027 -3.236) 4.622 14.591 ( -2.456 -0.742 -2.572) 3.633 15.443 ( 0.136 12.998 0.424) 13.006 16.785 ( 21.115 -16.525 1.128) 26.836 18.279 ( 0.992 0.170 0.188) 1.023 20.049 ( -7.483 3.356 0.216) 8.204 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 15.224 -1.041 -0.570) 15.270 4.212 ( -17.021 -4.128 0.227) 17.516 4.878 ( -13.639 5.259 -13.537) 19.923 5.540 ( -12.189 1.433 10.433) 16.108 5.783 ( 8.033 -2.129 2.538) 8.689 6.840 ( -7.941 -0.238 2.439) 8.311 8.125 ( -7.660 -8.009 -8.514) 13.975 8.579 ( -11.679 10.572 12.812) 20.305 9.320 ( 13.474 3.095 0.187) 13.826 10.238 ( -26.016 4.275 -15.035) 30.350 11.461 ( -16.681 -2.969 1.013) 16.973 12.072 ( 19.824 -5.677 7.044) 21.791 13.165 ( -14.443 -1.919 0.603) 14.583 14.559 ( 1.861 -0.132 -6.378) 6.645 15.626 ( 11.762 0.404 0.782) 11.795 17.056 ( 18.962 -0.791 0.630) 18.989 18.328 ( 3.010 1.809 2.889) 4.547 19.909 ( -10.573 -0.178 0.170) 10.575 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -0.000 18.604 -3.918) 19.012 3.415 ( 0.000 11.053 6.137) 12.643 3.691 ( -0.000 2.329 -9.411) 9.695 5.717 ( 0.000 4.862 10.434) 11.512 5.849 ( -0.000 28.675 -9.123) 30.091 6.157 ( 0.000 4.852 -0.324) 4.863 8.110 ( 0.000 2.982 12.216) 12.575 8.122 ( -0.000 28.153 -6.184) 28.824 9.159 ( 0.000 4.448 15.044) 15.688 9.278 ( -0.000 3.547 -5.566) 6.600 11.232 ( -0.000 -17.720 -0.295) 17.722 11.512 ( -0.000 24.485 -11.905) 27.226 13.613 ( 0.000 2.991 6.290) 6.965 14.172 ( -0.000 6.982 -21.251) 22.369 15.924 ( -0.000 -22.381 -2.448) 22.514 18.529 ( 0.000 7.898 0.241) 7.902 18.803 ( 0.000 1.452 1.354) 1.986 18.890 ( 0.000 -12.423 11.220) 16.740 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( -0.670 -1.427 -3.246) 3.609 3.594 ( 6.350 9.643 1.142) 11.603 3.774 ( 1.626 20.919 -5.330) 21.649 5.750 ( -1.870 1.549 7.920) 8.284 6.145 ( 0.765 15.758 -2.778) 16.019 6.229 ( 4.644 16.616 -4.024) 17.716 8.161 ( 2.362 5.594 6.422) 8.838 8.427 ( 8.205 8.619 5.823) 13.249 9.040 ( -12.760 2.130 -0.263) 12.939 9.488 ( 10.854 7.285 0.233) 13.074 11.085 ( 2.894 -14.251 -0.969) 14.574 11.772 ( 4.991 25.547 -7.100) 26.981 13.648 ( -3.771 4.232 7.018) 9.021 14.161 ( -1.387 6.914 -18.539) 19.835 15.719 ( 2.893 -22.450 -1.870) 22.713 18.271 ( -25.419 4.685 0.246) 25.848 18.718 ( -1.553 -15.711 9.458) 18.404 19.166 ( 19.359 6.917 0.303) 20.560 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( -6.496 -9.294 -2.640) 11.643 3.853 ( 12.042 11.910 -5.543) 17.821 4.075 ( 5.710 23.665 0.696) 24.354 5.762 ( 0.461 -0.650 6.538) 6.586 6.133 ( -5.415 1.047 -1.586) 5.739 6.609 ( 8.646 26.340 -2.575) 27.842 8.280 ( 4.463 -6.019 5.573) 9.339 8.596 ( 4.917 -2.886 13.784) 14.917 8.897 ( -3.048 8.887 -8.474) 12.652 9.710 ( 5.247 7.170 -2.546) 9.242 11.077 ( 9.883 -6.758 -2.095) 12.154 12.138 ( 8.354 25.354 -2.230) 26.787 13.573 ( -10.393 1.111 3.058) 10.890 14.170 ( -0.240 8.471 -11.838) 14.558 15.562 ( 5.152 -21.952 -0.603) 22.556 17.837 ( -27.602 1.018 0.102) 27.621 18.566 ( -2.440 -12.444 6.508) 14.254 19.545 ( 16.148 6.484 0.048) 17.401 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( -8.781 -8.923 -1.437) 12.601 4.199 ( 16.980 10.163 -7.454) 21.146 4.404 ( 4.084 22.825 2.601) 23.333 5.795 ( 2.606 -1.885 4.511) 5.541 5.992 ( -7.921 -5.091 -0.378) 9.424 6.978 ( 5.419 21.476 -0.108) 22.149 8.151 ( -5.760 -10.031 0.601) 11.583 8.696 ( 7.899 -8.124 7.354) 13.508 9.102 ( 13.473 9.550 1.919) 16.626 9.774 ( -2.907 6.801 -6.356) 9.752 11.292 ( 17.202 2.459 -1.834) 17.474 12.491 ( 4.564 19.634 1.199) 20.193 13.339 ( -14.536 -3.737 -1.550) 15.088 14.257 ( 2.393 10.782 -5.360) 12.276 15.466 ( 7.834 -18.672 0.675) 20.260 17.345 ( -27.561 -3.577 -0.173) 27.792 18.433 ( -2.392 -8.779 3.600) 9.785 19.847 ( 11.524 5.828 -0.017) 12.914 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -7.264 -6.756 -0.461) 9.931 4.577 ( 18.822 7.014 -6.937) 21.251 4.671 ( -0.132 20.789 3.771) 21.129 5.755 ( -8.217 -9.409 -0.834) 12.520 5.846 ( 1.986 -2.319 3.419) 4.584 7.154 ( -2.140 4.956 1.679) 5.654 8.072 ( 2.063 6.485 -2.385) 7.212 8.729 ( 4.980 -10.625 3.111) 12.140 9.333 ( 2.897 -5.775 3.431) 7.315 9.882 ( 9.482 18.312 -4.891) 21.194 11.632 ( 13.951 6.500 -0.953) 15.421 12.638 ( -5.467 8.331 3.810) 10.668 13.040 ( -10.189 -7.189 -3.587) 12.975 14.419 ( 4.277 10.634 -2.134) 11.659 15.497 ( 11.780 -7.904 1.061) 14.225 16.817 ( -25.226 -9.934 -0.300) 27.114 18.334 ( -1.781 -5.184 1.334) 5.641 20.057 ( 6.518 4.671 -0.006) 8.019 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -2.328 -3.645 0.015) 4.324 4.810 ( -5.202 12.684 2.619) 13.957 4.923 ( 15.466 3.786 -3.621) 16.329 5.517 ( -6.456 -8.137 0.374) 10.394 5.867 ( 0.711 -0.742 0.385) 1.097 7.067 ( -5.168 -5.253 1.141) 7.457 8.305 ( 8.836 16.957 -0.470) 19.127 8.674 ( 0.055 -10.471 -0.897) 10.509 9.199 ( -7.165 -6.193 0.750) 9.501 10.347 ( 18.974 19.212 -2.500) 27.117 11.752 ( -4.626 -3.079 0.572) 5.587 12.500 ( -15.088 -1.752 5.246) 16.070 12.944 ( 8.215 -2.341 -3.713) 9.314 14.562 ( 3.142 4.692 -0.573) 5.676 15.728 ( 9.007 14.151 0.256) 16.776 16.298 ( -14.041 -21.824 0.153) 25.951 18.278 ( -0.766 -1.981 0.101) 2.127 20.163 ( 1.447 2.695 0.032) 3.059 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 4.483 -0.433 0.057) 4.504 4.711 ( -11.125 -5.112 0.963) 12.282 5.117 ( 1.468 6.129 -2.365) 6.732 5.464 ( 6.010 -1.223 0.823) 6.188 5.848 ( -3.478 1.193 0.145) 3.680 6.951 ( -2.579 -3.626 2.135) 4.935 8.494 ( -8.405 -9.074 -6.487) 13.966 8.639 ( 9.091 15.691 1.938) 18.238 9.064 ( -2.711 -3.049 4.927) 6.397 10.785 ( 5.567 21.819 -13.885) 26.455 11.527 ( -2.487 -18.771 10.564) 21.682 12.153 ( -19.162 -9.264 3.656) 21.596 13.166 ( 12.146 5.421 -2.712) 13.575 14.615 ( -0.019 0.952 -0.841) 1.270 15.710 ( -20.017 0.946 0.170) 20.040 16.274 ( 25.456 -2.022 0.546) 25.542 18.270 ( 0.573 0.533 0.123) 0.792 20.160 ( -3.335 -0.167 0.067) 3.340 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 10.405 1.631 -0.337) 10.537 4.394 ( -13.592 -12.076 -1.044) 18.212 5.116 ( -8.889 9.956 -5.322) 14.369 5.592 ( 8.273 -5.645 2.308) 10.277 5.784 ( -6.419 5.287 3.168) 8.899 6.929 ( -0.632 1.799 4.065) 4.490 8.192 ( -12.015 -8.426 -8.731) 17.076 8.862 ( -3.078 10.419 7.529) 13.218 9.120 ( 10.200 0.267 4.947) 11.339 10.681 ( -24.178 9.956 -21.754) 34.013 11.628 ( 20.935 -10.749 11.777) 26.316 11.715 ( -16.427 -14.005 4.922) 22.140 13.326 ( -1.779 5.739 -2.496) 6.506 14.577 ( -3.937 1.373 -3.210) 5.261 15.462 ( 0.178 -12.205 1.243) 12.270 16.767 ( 21.597 14.714 0.294) 26.135 18.309 ( 2.216 2.081 1.454) 3.370 20.046 ( -7.472 -3.726 0.095) 8.350 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( -0.000 -5.741 -2.797) 6.386 3.626 ( 0.000 6.973 3.845) 7.962 3.974 ( -0.000 25.022 -6.001) 25.732 5.810 ( 0.000 0.396 8.067) 8.077 6.246 ( -0.000 3.673 -4.260) 5.625 6.366 ( -0.000 27.474 -5.046) 27.933 8.122 ( 0.000 -7.959 5.021) 9.411 8.490 ( 0.000 8.014 10.329) 13.074 9.288 ( -0.000 5.333 -2.688) 5.972 9.379 ( 0.000 8.452 -0.161) 8.453 10.901 ( -0.000 -14.731 -1.038) 14.767 11.951 ( -0.000 23.590 -4.527) 24.021 13.761 ( 0.000 5.975 4.917) 7.739 14.192 ( -0.000 8.184 -15.530) 17.555 15.468 ( -0.000 -21.439 -1.905) 21.523 18.603 ( 0.000 -13.505 7.550) 15.472 18.667 ( 0.000 5.670 0.214) 5.674 18.937 ( 0.000 2.934 0.600) 2.995 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -3.807 -6.793 -2.289) 8.116 3.758 ( 7.046 5.637 1.116) 9.092 4.237 ( 3.651 23.757 -2.493) 24.164 5.809 ( -2.770 0.983 5.723) 6.433 6.212 ( -4.125 -0.362 -4.757) 6.307 6.706 ( 8.313 25.761 -2.477) 27.183 8.085 ( 5.963 -12.503 1.098) 13.895 8.579 ( 0.750 -2.180 16.907) 17.064 9.127 ( -13.629 8.174 -4.048) 16.400 9.643 ( 10.469 8.615 -2.165) 13.730 10.826 ( 7.358 -10.376 -1.624) 12.824 12.226 ( 6.958 20.964 -2.116) 22.190 13.755 ( -7.002 2.672 -1.922) 7.736 14.244 ( -0.590 11.233 -7.965) 13.783 15.276 ( 2.491 -20.374 -0.886) 20.545 18.341 ( -26.834 2.111 -0.139) 26.918 18.501 ( -1.928 -10.683 6.187) 12.495 19.270 ( 21.021 3.555 -0.070) 21.319 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( -7.758 -5.519 -1.414) 9.625 3.987 ( 13.358 4.776 -2.408) 14.389 4.547 ( 6.211 20.653 0.906) 21.586 5.789 ( -1.747 0.232 3.307) 3.748 6.066 ( -7.568 -5.679 -3.165) 9.977 7.092 ( 7.222 21.659 -0.431) 22.835 8.041 ( 3.962 -13.118 -4.277) 14.355 8.577 ( 0.573 -8.331 15.959) 18.012 9.074 ( -0.521 7.524 2.109) 7.831 9.830 ( 2.902 7.336 -4.153) 8.915 10.969 ( 17.447 -2.668 -1.307) 17.698 12.554 ( 8.600 15.199 -1.799) 17.555 13.566 ( -13.799 -0.498 -5.525) 14.872 14.344 ( -0.028 13.089 -2.746) 13.374 15.147 ( 5.669 -18.637 0.638) 19.491 17.847 ( -30.642 0.169 -0.566) 30.647 18.396 ( -1.586 -7.763 4.062) 8.904 19.639 ( 17.419 3.015 -0.227) 17.679 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( -9.347 -2.896 -0.656) 9.808 4.290 ( 17.655 3.389 -4.322) 18.490 4.843 ( 4.634 16.595 3.626) 17.608 5.755 ( -2.177 -5.742 -2.977) 6.824 5.856 ( -6.559 -4.789 2.663) 8.546 7.274 ( -4.053 5.020 -0.513) 6.472 8.042 ( 7.075 4.884 -6.239) 10.622 8.561 ( 3.276 -11.510 12.266) 17.137 9.200 ( 6.846 -1.359 3.554) 7.832 9.927 ( 2.406 10.437 -0.677) 10.732 11.330 ( 22.847 1.923 -0.443) 22.932 12.718 ( -0.536 1.534 -8.612) 8.764 13.285 ( -16.152 1.893 0.801) 16.282 14.479 ( 1.234 11.500 -0.898) 11.601 15.141 ( 13.046 -12.450 1.183) 18.072 17.290 ( -32.389 -1.484 -0.958) 32.437 18.319 ( -1.384 -4.345 2.023) 4.989 19.923 ( 12.514 1.863 -0.233) 12.654 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -7.588 0.377 -0.246) 7.601 4.612 ( 17.719 0.106 -4.724) 18.339 5.016 ( -1.307 6.865 6.487) 9.535 5.566 ( -6.601 -4.246 -3.739) 8.695 5.822 ( 1.775 -2.080 1.900) 3.329 7.131 ( -7.724 -4.880 -2.931) 9.594 8.310 ( 9.561 16.163 -2.310) 18.921 8.530 ( 3.631 -12.592 8.317) 15.522 9.217 ( -1.150 -4.795 -3.290) 5.928 10.200 ( 14.795 10.959 8.795) 20.405 11.689 ( 12.851 0.591 -0.796) 12.890 12.506 ( -7.621 -14.295 -15.812) 22.637 13.106 ( -12.344 8.855 8.135) 17.233 14.572 ( 0.822 3.417 0.709) 3.586 15.393 ( 22.755 -1.780 0.317) 22.827 16.705 ( -32.822 -0.259 -1.126) 32.842 18.276 ( -0.766 -1.268 0.532) 1.574 20.102 ( 7.045 -0.101 -0.168) 7.047 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -2.711 3.603 -0.055) 4.510 4.722 ( -0.945 -13.403 -1.431) 13.513 5.089 ( 7.950 4.192 3.460) 9.630 5.474 ( -5.199 4.812 -1.283) 7.200 5.850 ( 2.904 -1.598 -0.228) 3.322 6.974 ( -3.742 -2.852 -2.712) 5.431 8.431 ( 0.913 -13.316 6.329) 14.772 8.659 ( 7.614 15.960 -2.078) 17.805 9.109 ( -3.968 -1.670 -4.420) 6.170 10.654 ( 21.854 6.561 13.175) 26.349 11.619 ( -16.445 -4.192 -8.306) 18.895 12.199 ( -4.355 -21.504 -6.052) 22.760 13.134 ( 1.559 13.267 3.910) 13.918 14.605 ( 1.554 -0.345 1.156) 1.968 15.713 ( 10.831 -16.089 -0.302) 19.398 16.280 ( -15.114 20.759 -0.651) 25.687 18.271 ( 0.192 1.099 -0.176) 1.129 20.160 ( 1.448 -2.948 -0.085) 3.286 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 3.304 5.722 -0.000) 6.608 4.447 ( -9.487 -16.433 0.000) 18.975 5.311 ( 5.044 8.737 -0.000) 10.088 5.418 ( -1.497 -2.592 0.000) 2.993 5.879 ( 0.586 1.015 -0.000) 1.172 6.946 ( 1.343 2.327 -0.000) 2.687 8.257 ( -7.183 -12.441 0.000) 14.366 8.910 ( 5.978 10.355 -0.000) 11.957 9.070 ( 0.790 1.368 -0.000) 1.580 11.132 ( 9.372 16.232 0.000) 18.744 11.162 ( -10.525 -18.229 -0.000) 21.049 11.821 ( -12.518 -21.682 -0.000) 25.036 13.357 ( 5.761 9.978 0.000) 11.521 14.629 ( 0.336 0.582 -0.000) 0.672 15.399 ( -11.344 -19.648 0.000) 22.688 16.645 ( 15.918 27.571 -0.000) 31.837 18.303 ( 1.429 2.474 -0.000) 2.857 20.093 ( -3.755 -6.504 -0.000) 7.510 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( -0.000 -4.437 -1.541) 4.697 3.744 ( 0.000 2.888 2.277) 3.678 4.407 ( 0.000 18.453 -1.161) 18.489 5.871 ( 0.000 1.810 3.476) 3.919 6.221 ( -0.000 -2.289 -6.097) 6.512 6.869 ( 0.000 24.209 -1.646) 24.265 7.890 ( -0.000 -15.072 -0.060) 15.072 8.594 ( 0.000 -6.077 18.502) 19.475 9.398 ( -0.000 9.658 -6.503) 11.643 9.559 ( 0.000 6.843 1.890) 7.100 10.650 ( -0.000 -8.881 -0.879) 8.924 12.332 ( 0.000 14.877 -2.083) 15.022 13.820 ( -0.000 1.027 -9.209) 9.267 14.361 ( 0.000 13.707 -1.910) 13.839 15.067 ( -0.000 -16.995 0.188) 16.996 18.420 ( 0.000 -8.632 5.023) 9.987 18.755 ( 0.000 2.913 0.147) 2.916 18.970 ( -0.000 0.630 -0.640) 0.898 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( -4.545 -1.825 -0.818) 4.965 3.832 ( 7.280 1.279 0.430) 7.404 4.610 ( 5.446 12.523 1.857) 13.782 5.854 ( -3.470 -0.202 0.101) 3.478 6.125 ( -5.716 -2.973 -4.610) 7.922 7.157 ( 7.068 17.758 -0.293) 19.115 7.796 ( 6.067 -12.577 -2.441) 14.175 8.560 ( -1.530 -9.077 16.029) 18.484 9.276 ( -12.910 6.050 1.712) 14.360 9.782 ( 9.644 5.973 -1.638) 11.462 10.680 ( 10.988 -2.801 -0.054) 11.339 12.510 ( 7.460 7.532 -2.943) 11.002 13.722 ( -7.144 -0.550 -12.020) 13.993 14.487 ( -0.963 12.946 0.348) 12.987 14.936 ( 1.188 -11.922 2.436) 12.226 18.338 ( -10.565 -3.146 1.436) 11.117 18.393 ( -19.147 -2.260 1.688) 19.354 19.312 ( 22.136 0.945 -0.588) 22.164 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( -8.387 1.293 -0.329) 8.493 4.021 ( 13.770 0.136 -2.177) 13.942 4.847 ( 8.993 6.000 5.727) 12.234 5.741 ( -4.677 -7.199 -4.219) 9.566 5.973 ( -8.332 1.177 -0.925) 8.465 7.327 ( 0.481 -2.478 -1.410) 2.892 7.896 ( 12.449 6.134 -5.066) 14.774 8.481 ( -1.328 -10.103 13.180) 16.660 9.170 ( -3.756 0.155 4.613) 5.951 9.957 ( 4.802 5.632 1.767) 7.609 10.958 ( 20.274 1.754 0.662) 20.361 12.647 ( 4.670 -2.678 -8.434) 10.006 13.525 ( -10.124 0.015 -6.809) 12.201 14.576 ( -0.781 6.102 1.047) 6.241 14.913 ( 4.251 -0.832 2.802) 5.159 17.840 ( -31.713 -0.201 -1.259) 31.739 18.309 ( -0.952 -3.022 2.199) 3.856 19.665 ( 17.989 -0.114 -0.522) 17.997 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -9.875 4.635 -0.145) 10.910 4.281 ( 17.453 -1.787 -3.747) 17.939 5.019 ( 4.976 -5.404 10.873) 13.122 5.583 ( -1.588 -3.593 -7.600) 8.555 5.863 ( -6.698 1.962 0.152) 6.981 7.178 ( -6.009 -9.328 -4.804) 12.091 8.244 ( 15.059 13.794 -4.928) 21.008 8.400 ( -0.198 -11.937 12.157) 17.038 9.158 ( 1.236 -1.815 0.169) 2.202 10.120 ( 7.614 3.628 10.630) 13.569 11.362 ( 22.398 1.140 0.886) 22.444 12.497 ( -8.994 -10.402 -17.498) 22.254 13.367 ( -8.069 0.842 2.716) 8.555 14.580 ( -0.438 -2.653 3.051) 4.067 15.118 ( 11.956 10.862 0.300) 16.156 17.278 ( -32.373 1.127 -1.467) 32.426 18.283 ( -0.676 -0.257 0.543) 0.905 19.919 ( 12.581 -2.020 -0.386) 12.748 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( -8.135 7.699 -0.016) 11.201 4.498 ( 11.385 -9.492 -3.150) 15.154 4.992 ( 2.656 -9.795 10.398) 14.529 5.609 ( 1.678 7.209 -5.147) 9.015 5.770 ( -2.374 -3.450 -1.375) 4.408 6.989 ( -3.712 -5.768 -5.365) 8.708 8.308 ( 0.002 -13.486 10.832) 17.297 8.605 ( 13.705 10.290 -5.835) 18.104 9.148 ( -2.359 2.829 -4.740) 6.003 10.376 ( 16.229 -4.116 19.300) 25.550 11.677 ( 11.561 -2.593 0.575) 11.862 12.098 ( -15.702 -10.399 -19.795) 27.323 13.276 ( -3.883 1.354 4.685) 6.234 14.561 ( 1.261 -3.859 3.633) 5.448 15.450 ( 11.444 6.999 -0.858) 13.442 16.797 ( -25.198 9.760 -1.150) 27.046 18.284 ( -0.119 1.827 -0.732) 1.972 20.051 ( 6.558 -4.812 -0.236) 8.137 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 0.000 1.606 -0.145) 1.613 3.770 ( 0.000 -1.380 1.227) 1.846 4.651 ( 0.000 4.639 3.808) 6.001 5.854 ( -0.000 -5.769 -3.493) 6.744 6.162 ( -0.000 2.192 -4.426) 4.939 7.215 ( 0.000 4.061 1.228) 4.243 7.637 ( -0.000 -3.142 -2.178) 3.823 8.531 ( 0.000 -9.039 12.951) 15.793 9.583 ( 0.000 8.214 4.476) 9.354 9.610 ( -0.000 -2.340 -0.781) 2.467 10.575 ( 0.000 1.695 1.114) 2.029 12.469 ( -0.000 0.263 -3.384) 3.394 13.718 ( -0.000 -2.837 -16.557) 16.799 14.596 ( 0.000 5.548 1.377) 5.716 14.891 ( 0.000 2.100 5.497) 5.885 18.323 ( 0.000 -3.616 2.861) 4.611 18.784 ( 0.000 -0.091 0.082) 0.123 18.963 ( -0.000 -0.400 -1.693) 1.740 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( -4.757 4.847 0.224) 6.795 3.815 ( 7.555 -3.098 -0.169) 8.167 4.736 ( 6.564 -2.877 7.293) 10.225 5.724 ( -4.012 -9.220 -5.336) 11.383 6.127 ( -6.002 4.107 -4.027) 8.313 7.200 ( 3.448 -13.562 1.680) 14.094 7.760 ( 9.694 10.026 -4.470) 14.645 8.461 ( -2.106 -8.276 9.435) 12.725 9.349 ( -13.500 -0.613 4.464) 14.232 9.859 ( 10.999 0.461 4.755) 11.992 10.718 ( 11.126 5.445 1.476) 12.474 12.482 ( 5.278 -6.368 -5.005) 9.668 13.583 ( -4.127 -5.005 -15.833) 17.110 14.620 ( -1.058 0.314 4.080) 4.227 14.982 ( -0.689 13.243 4.268) 13.931 18.298 ( -2.698 -0.893 0.930) 2.990 18.369 ( -26.967 -1.263 -0.386) 26.999 19.303 ( 22.383 -1.266 -0.920) 22.437 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( -8.559 7.963 0.221) 11.692 3.964 ( 14.010 -4.494 -2.326) 14.896 4.837 ( 8.654 -12.646 13.204) 20.228 5.547 ( -3.076 -6.075 -7.753) 10.319 6.024 ( -8.109 2.872 -3.993) 9.484 7.089 ( 0.713 -15.753 -0.889) 15.794 8.062 ( 15.091 7.949 -6.625) 18.298 8.362 ( -2.774 -8.101 7.888) 11.642 9.199 ( -5.263 1.486 5.520) 7.770 10.022 ( 8.098 -4.363 8.641) 12.620 11.034 ( 17.526 4.414 1.461) 18.132 12.436 ( -0.061 -9.377 -9.161) 13.109 13.412 ( -3.320 -7.093 -9.611) 12.398 14.599 ( -2.934 -0.548 6.335) 7.003 15.167 ( 2.689 18.909 1.475) 19.157 17.826 ( -30.816 -0.272 -1.452) 30.851 18.298 ( -0.526 0.959 0.074) 1.096 19.629 ( 17.653 -3.101 -0.620) 17.934 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -10.055 10.677 0.162) 14.667 4.160 ( 15.192 -8.353 -3.474) 17.681 4.837 ( 5.062 -18.046 17.357) 25.545 5.500 ( 5.160 -2.121 -9.785) 11.264 5.890 ( -8.107 1.743 -4.025) 9.217 6.929 ( -0.914 -12.550 -2.435) 12.816 8.247 ( -2.508 -9.197 8.783) 12.962 8.364 ( 15.957 1.021 -10.547) 19.155 9.227 ( -0.108 8.347 3.753) 9.153 10.127 ( 10.143 -12.042 12.872) 20.337 11.358 ( 16.625 -3.503 0.658) 17.002 12.250 ( -9.516 -1.462 -11.015) 14.629 13.264 ( -0.987 -10.856 -3.530) 11.458 14.564 ( -2.840 0.147 6.842) 7.409 15.446 ( 5.514 19.209 -0.139) 19.985 17.318 ( -27.449 3.788 -1.277) 27.738 18.306 ( -0.328 2.676 -1.566) 3.118 19.839 ( 11.658 -5.797 -0.366) 13.025 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( 0.000 7.432 0.636) 7.459 3.704 ( -0.000 -5.822 0.621) 5.855 4.640 ( 0.000 -9.564 9.045) 13.163 5.647 ( -0.000 -9.560 -6.373) 11.489 6.204 ( -0.000 2.861 -5.492) 6.192 7.007 ( 0.000 -19.054 4.804) 19.650 7.752 ( -0.000 8.729 -6.490) 10.877 8.432 ( 0.000 -6.399 6.009) 8.778 9.516 ( -0.000 -4.622 0.132) 4.623 9.712 ( 0.000 -2.915 12.128) 12.474 10.699 ( 0.000 8.887 1.170) 8.964 12.346 ( -0.000 -8.723 -1.735) 8.894 13.492 ( -0.000 -7.596 -19.715) 21.127 14.664 ( 0.000 2.483 6.894) 7.327 15.156 ( 0.000 16.686 3.518) 17.053 18.306 ( 0.000 0.651 0.457) 0.795 18.752 ( -0.000 -3.075 0.049) 3.075 18.937 ( -0.000 -0.991 -2.008) 2.240 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( -4.402 9.407 0.663) 10.407 3.706 ( 7.889 -7.588 -0.482) 10.957 4.599 ( 5.674 -16.594 13.204) 21.953 5.507 ( -2.586 -7.607 -8.323) 11.569 6.146 ( -5.737 0.095 -5.588) 8.010 6.865 ( 3.988 -19.964 4.642) 20.881 7.875 ( 9.167 3.396 -8.870) 13.200 8.367 ( -2.690 -5.084 3.669) 6.823 9.360 ( -8.834 -1.036 6.495) 11.014 9.803 ( 10.000 -12.206 8.163) 17.765 10.878 ( 8.449 9.107 0.645) 12.440 12.288 ( 3.276 -9.297 0.958) 9.904 13.331 ( -2.027 -7.748 -18.897) 20.524 14.697 ( -2.896 3.453 8.714) 9.810 15.346 ( 0.513 19.747 1.821) 19.837 18.308 ( -11.311 0.990 -1.860) 11.506 18.336 ( -17.232 -1.005 -0.109) 17.261 19.250 ( 21.645 -3.482 -0.851) 21.940 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( -7.748 11.260 0.419) 13.674 3.808 ( 13.327 -9.584 -2.436) 16.595 4.572 ( 7.858 -22.145 19.178) 30.331 5.383 ( 0.084 -5.815 -12.457) 13.748 6.008 ( -6.554 -0.748 -4.862) 8.195 6.750 ( 3.352 -18.940 3.264) 19.509 8.051 ( 13.608 -2.486 -10.777) 17.536 8.265 ( -4.392 -5.021 3.293) 7.440 9.313 ( 0.158 2.527 9.091) 9.437 9.837 ( 9.171 -18.348 5.290) 21.184 11.116 ( 10.088 3.265 -0.603) 10.620 12.268 ( 2.209 -5.240 4.467) 7.231 13.155 ( -2.923 -8.015 -16.015) 18.146 14.691 ( -5.157 4.258 9.499) 11.617 15.590 ( 2.772 22.111 0.519) 22.290 17.810 ( -27.805 -0.570 -1.006) 27.829 18.338 ( -0.410 3.578 -2.685) 4.492 19.533 ( 16.434 -6.141 -0.418) 17.549 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( 0.000 8.375 1.169) 8.456 3.545 ( -0.000 -10.511 0.444) 10.521 4.416 ( 0.000 -18.607 13.933) 23.245 5.418 ( -0.000 -8.656 -10.563) 13.656 6.175 ( -0.000 -1.955 -4.752) 5.138 6.625 ( 0.000 -22.613 6.326) 23.481 7.781 ( -0.000 -0.140 -9.455) 9.456 8.360 ( 0.000 -3.134 0.966) 3.279 9.470 ( 0.000 -1.506 3.376) 3.696 9.523 ( 0.000 -24.621 9.718) 26.470 10.925 ( 0.000 13.240 -0.052) 13.241 12.177 ( 0.000 -9.721 7.850) 12.495 13.221 ( -0.000 -4.291 -21.565) 21.988 14.799 ( 0.000 5.100 10.192) 11.396 15.546 ( 0.000 20.599 1.176) 20.632 18.345 ( -0.000 3.607 -2.514) 4.397 18.664 ( -0.000 -5.771 0.067) 5.771 18.894 ( -0.000 -2.422 -1.317) 2.757 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( -1.898 2.952 0.847) 3.610 3.516 ( 7.950 -9.233 0.115) 12.185 4.305 ( 3.481 -19.950 17.148) 26.536 5.274 ( -0.993 -10.062 -14.637) 17.790 6.078 ( -5.329 -2.930 -3.037) 6.797 6.472 ( 5.603 -22.712 5.412) 24.011 7.805 ( 7.366 -2.798 -8.761) 11.783 8.304 ( -3.325 -2.466 -0.552) 4.176 9.242 ( 1.014 -26.627 8.386) 27.935 9.542 ( 7.144 -7.561 2.309) 10.655 11.087 ( 2.366 12.354 -0.820) 12.605 12.139 ( 4.291 -12.104 11.946) 17.539 13.117 ( -2.606 1.522 -20.112) 20.337 14.857 ( -3.588 6.268 11.095) 13.238 15.776 ( 1.694 22.275 0.442) 22.343 18.255 ( -25.859 -4.079 -0.515) 26.184 18.374 ( -0.482 4.319 -3.951) 5.874 19.152 ( 20.007 -6.057 -0.314) 20.906 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -0.000 -15.852 0.631) 15.865 3.409 ( 0.000 -7.719 4.258) 8.816 4.188 ( 0.000 -9.458 14.875) 17.628 5.112 ( -0.000 -13.945 -18.229) 22.951 6.111 ( -0.000 -1.658 -0.567) 1.752 6.169 ( -0.000 -26.470 3.848) 26.748 7.697 ( -0.000 -1.689 -5.160) 5.429 8.310 ( -0.000 -1.414 -3.425) 3.706 8.857 ( -0.000 -45.140 5.409) 45.463 9.454 ( 0.000 -3.136 2.562) 4.050 11.229 ( 0.000 17.291 -0.425) 17.297 11.986 ( 0.000 -17.744 11.403) 21.092 13.135 ( -0.000 9.128 -16.573) 18.920 14.998 ( 0.000 8.070 11.948) 14.417 15.984 ( 0.000 22.445 0.042) 22.445 18.408 ( -0.000 4.968 -5.415) 7.348 18.526 ( -0.000 -7.907 0.134) 7.908 18.815 ( -0.000 -5.268 0.040) 5.268 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.000 -0.000 39.206) 39.206 1.153 ( 0.000 -0.000 39.206) 39.206 1.845 ( 0.000 -0.000 62.537) 62.537 3.993 ( -0.000 0.000 -13.701) 13.701 3.993 ( -0.000 0.000 -13.701) 13.701 6.036 ( -0.000 0.000 -17.680) 17.680 6.986 ( -0.000 0.000 -0.967) 0.967 8.051 ( -0.000 0.000 -3.053) 3.053 8.051 ( -0.000 0.000 -3.053) 3.053 8.772 ( 0.000 -0.000 4.391) 4.391 8.772 ( 0.000 0.000 4.391) 4.391 12.627 ( 0.000 -0.000 0.188) 0.188 12.627 ( 0.000 -0.000 0.188) 0.188 14.117 ( 0.000 -0.000 3.160) 3.160 17.027 ( -0.000 0.000 -8.957) 8.957 17.819 ( -0.000 0.000 -0.143) 0.143 17.819 ( -0.000 0.000 -0.143) 0.143 21.059 ( 0.000 -0.000 4.382) 4.382 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 16.605 9.587 31.619) 36.978 1.562 ( 21.521 12.425 31.437) 40.073 2.445 ( 31.299 18.070 46.565) 58.945 4.029 ( 8.002 4.620 -15.188) 17.778 4.242 ( 23.090 13.331 -15.233) 30.707 5.355 ( -29.404 -16.976 0.291) 33.954 6.921 ( -3.872 -2.236 -0.265) 4.479 8.105 ( 3.951 2.281 0.272) 4.571 8.190 ( 5.205 3.005 -0.131) 6.011 8.697 ( -1.625 -0.938 2.204) 2.895 9.631 ( 41.484 23.951 -23.172) 53.212 12.545 ( -6.987 -4.034 0.185) 8.070 13.250 ( 41.130 23.747 -37.954) 60.796 14.090 ( -2.973 -1.717 2.531) 4.266 17.051 ( 2.444 1.411 -8.644) 9.093 17.847 ( 4.051 2.339 -0.424) 4.697 17.869 ( 4.102 2.368 -0.085) 4.737 20.653 ( -29.461 -17.009 22.698) 40.896 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 19.553 11.289 15.878) 27.602 2.209 ( 25.029 14.451 22.563) 36.666 3.310 ( 29.008 16.748 27.251) 43.181 4.259 ( 16.029 9.255 -15.638) 24.231 4.728 ( 1.281 0.739 -12.735) 12.820 5.064 ( 22.966 13.259 -2.095) 26.601 6.841 ( -2.346 -1.354 1.002) 2.888 8.257 ( 8.878 5.126 8.332) 13.210 8.270 ( 0.603 0.348 6.797) 6.832 8.730 ( 4.857 2.804 -3.757) 6.750 10.299 ( 25.262 14.585 -19.141) 34.890 12.317 ( -12.550 -7.246 0.149) 14.493 13.797 ( 12.722 7.345 -30.869) 34.186 14.031 ( 2.238 1.292 -16.873) 17.070 16.980 ( -7.252 -4.187 -5.986) 10.294 17.999 ( 6.932 4.002 -0.005) 8.004 18.053 ( 13.447 7.763 -1.938) 15.647 20.077 ( -26.435 -15.262 29.340) 42.339 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 22.956 13.254 0.065) 26.507 2.805 ( 20.695 11.948 15.460) 28.461 3.808 ( 6.894 3.980 3.301) 8.618 4.660 ( 5.166 2.983 7.583) 9.648 4.662 ( 22.703 13.107 -14.290) 29.856 5.839 ( 30.915 17.849 -4.309) 35.956 6.886 ( 9.293 5.365 -2.271) 10.968 8.270 ( -2.941 -1.698 11.887) 12.363 8.584 ( 15.636 9.027 17.794) 25.350 8.883 ( 9.471 5.468 -7.769) 13.415 10.759 ( 20.580 11.882 -18.663) 30.216 11.984 ( -15.953 -9.210 0.128) 18.421 13.730 ( -9.357 -5.402 5.098) 11.947 14.094 ( 8.238 4.756 -42.277) 43.334 16.705 ( -14.437 -8.335 -3.614) 17.058 18.176 ( 8.172 4.718 0.064) 9.436 18.378 ( 13.832 7.986 -1.862) 16.080 19.622 ( -20.660 -11.928 24.521) 34.211 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 24.706 14.264 -8.343) 29.723 3.251 ( 14.587 8.422 9.055) 19.124 3.727 ( -8.153 -4.707 -9.575) 13.429 4.999 ( 16.172 9.337 16.818) 25.131 5.198 ( 26.745 15.441 -11.483) 32.948 6.217 ( 3.992 2.305 1.790) 4.945 7.363 ( 30.535 17.629 -7.132) 35.973 8.217 ( -5.041 -2.911 13.198) 14.425 9.054 ( 18.194 10.505 20.695) 29.490 9.098 ( 11.050 6.380 -8.112) 15.120 11.153 ( 19.330 11.160 -20.479) 30.292 11.598 ( -17.144 -9.898 0.146) 19.796 13.494 ( -12.428 -7.175 10.355) 17.696 14.136 ( 6.450 3.724 -32.404) 33.249 16.318 ( -17.759 -10.253 -2.354) 20.641 18.366 ( 8.000 4.619 0.094) 9.238 18.645 ( 9.259 5.346 -0.609) 10.709 19.267 ( -16.002 -9.239 17.218) 25.256 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( -6.860 -3.961 -1.130) 8.002 3.547 ( 9.532 5.503 4.199) 11.780 3.650 ( 21.691 12.523 -17.687) 30.662 5.400 ( 13.229 7.638 14.691) 21.194 5.798 ( 27.476 15.864 -8.729) 32.906 6.208 ( -3.080 -1.778 0.933) 3.677 8.071 ( 30.020 17.332 -1.283) 34.688 8.119 ( -7.044 -4.067 12.090) 14.571 9.326 ( 10.291 5.942 -6.362) 13.479 9.467 ( 11.862 6.849 8.828) 16.296 11.209 ( -16.141 -9.319 0.111) 18.639 11.535 ( 19.115 11.036 -17.643) 28.257 13.257 ( -10.892 -6.288 15.809) 20.201 14.209 ( 7.631 4.406 -21.826) 23.538 15.887 ( -18.617 -10.748 -1.771) 21.569 18.538 ( 6.784 3.917 0.076) 7.834 18.793 ( 3.077 1.776 1.197) 3.749 18.994 ( -10.927 -6.309 9.551) 15.825 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( -8.220 -4.746 -2.056) 9.712 3.728 ( 5.549 3.204 1.144) 6.509 4.141 ( 21.975 12.687 -11.703) 27.943 5.677 ( 6.928 4.000 10.843) 13.475 6.128 ( -3.289 -1.899 -0.149) 3.800 6.390 ( 25.516 14.732 -6.438) 30.159 7.967 ( -9.062 -5.232 9.327) 14.017 8.693 ( 21.736 12.549 7.342) 26.151 9.514 ( 6.908 3.988 -3.312) 8.637 9.633 ( 4.318 2.493 -14.113) 14.968 10.873 ( -12.441 -7.183 -0.313) 14.369 11.898 ( 14.554 8.403 -6.137) 17.891 13.125 ( -4.835 -2.791 19.201) 19.997 14.348 ( 9.079 5.242 -13.406) 17.018 15.467 ( -16.756 -9.674 -1.735) 19.426 18.674 ( 4.858 2.805 0.021) 5.610 18.722 ( -8.077 -4.663 3.585) 9.992 18.903 ( -0.096 -0.056 2.013) 2.016 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( -3.996 -2.307 -0.230) 4.620 3.815 ( 1.981 1.144 -0.620) 2.371 4.552 ( 15.641 9.030 -7.458) 19.540 5.782 ( -0.009 -0.005 6.466) 6.466 6.075 ( -1.329 -0.767 0.486) 1.609 6.916 ( 20.941 12.090 -4.155) 24.535 7.761 ( -10.790 -6.229 5.792) 13.739 9.000 ( -0.009 -0.005 8.320) 8.320 9.605 ( 1.175 0.678 0.011) 1.357 9.719 ( 12.382 7.149 -28.381) 31.779 10.659 ( -5.475 -3.161 -1.257) 6.446 12.127 ( 4.723 2.727 9.303) 10.784 13.151 ( 1.168 0.674 16.053) 16.109 14.523 ( 8.198 4.733 -6.811) 11.662 15.136 ( -10.311 -5.953 -2.511) 12.168 18.555 ( -6.431 -3.713 -0.639) 7.454 18.759 ( 2.484 1.434 -0.048) 2.869 18.904 ( -0.509 -0.294 2.145) 2.224 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 1.707 0.986 0.943) 2.185 3.816 ( -1.589 -0.917 -1.598) 2.433 4.788 ( 6.009 3.470 -4.629) 8.341 5.735 ( -5.435 -3.138 3.454) 7.163 6.067 ( 0.540 0.312 1.733) 1.842 7.277 ( 7.376 4.259 -3.013) 9.035 7.539 ( -6.311 -3.644 4.281) 8.452 8.832 ( -11.257 -6.499 -4.577) 13.781 9.582 ( -2.484 -1.434 0.892) 3.004 9.957 ( 11.384 6.573 -21.692) 25.365 10.615 ( 1.764 1.018 -1.345) 2.441 12.209 ( -0.080 -0.046 16.356) 16.356 13.204 ( -2.321 -1.340 13.772) 14.031 14.656 ( 4.449 2.569 -2.196) 5.587 15.030 ( 2.645 1.527 -3.383) 4.558 18.427 ( -3.966 -2.290 -3.521) 5.777 18.787 ( -0.103 -0.059 -0.107) 0.160 18.899 ( -0.436 -0.252 2.294) 2.348 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 6.913 3.991 1.197) 8.072 3.731 ( -5.333 -3.079 -2.023) 6.482 4.789 ( -4.728 -2.730 -5.306) 7.613 5.557 ( -10.145 -5.857 2.357) 11.950 6.108 ( 1.613 0.932 3.839) 4.267 7.091 ( -15.142 -8.742 -3.387) 17.810 7.627 ( 5.012 2.894 5.708) 8.128 8.558 ( -9.713 -5.608 -6.496) 12.960 9.531 ( -1.493 -0.862 -1.310) 2.165 9.992 ( -4.554 -2.629 -16.122) 16.958 10.714 ( 6.750 3.897 -0.274) 7.799 12.263 ( 1.366 0.789 7.879) 8.036 13.113 ( -8.915 -5.147 17.432) 20.244 14.750 ( 4.884 2.820 -1.978) 5.976 15.207 ( 12.249 7.072 -1.522) 14.226 18.352 ( -1.436 -0.829 -4.059) 4.385 18.754 ( -2.672 -1.543 -0.139) 3.089 18.898 ( -0.380 -0.220 1.940) 1.989 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.349 ( 7.962 4.597 0.167) 9.195 3.556 ( -9.341 -5.393 -1.824) 10.939 4.538 ( -14.041 -8.106 -10.948) 19.563 5.326 ( -10.643 -6.145 8.162) 14.753 6.135 ( -0.625 -0.361 3.514) 3.587 6.675 ( -19.615 -11.325 -3.859) 22.976 7.702 ( 0.024 0.014 6.733) 6.733 8.373 ( -4.944 -2.854 -1.797) 5.985 9.501 ( -0.861 -0.497 -3.110) 3.265 9.619 ( -23.815 -13.750 -10.187) 29.326 10.922 ( 11.240 6.489 0.456) 12.986 12.258 ( -4.012 -2.316 -9.272) 10.365 13.003 ( -3.509 -2.026 23.751) 24.094 14.869 ( 6.174 3.564 -4.371) 8.362 15.553 ( 17.413 10.054 -0.252) 20.109 18.340 ( 1.247 0.720 -1.420) 2.022 18.665 ( -4.996 -2.885 -0.144) 5.771 18.882 ( -1.646 -0.950 1.130) 2.211 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.000 11.946 33.878) 35.923 1.632 ( 0.000 21.026 31.872) 38.183 2.632 ( 0.000 36.814 46.366) 59.204 4.033 ( -0.000 12.282 -15.799) 20.011 4.161 ( -0.000 26.717 -16.988) 31.661 5.377 ( -0.000 -29.659 -3.957) 29.922 6.903 ( -0.000 -6.382 -0.567) 6.408 7.884 ( -0.000 -6.393 -1.294) 6.523 8.327 ( 0.000 10.758 5.889) 12.264 8.940 ( 0.000 7.351 2.944) 7.919 9.425 ( -0.000 46.509 -25.955) 53.261 12.544 ( -0.000 -8.153 0.178) 8.155 13.141 ( -0.000 41.143 -30.738) 51.357 14.095 ( 0.000 -4.418 3.518) 5.648 17.034 ( -0.000 4.766 -8.948) 10.138 17.840 ( 0.000 3.267 -0.302) 3.281 17.863 ( 0.000 4.498 -0.133) 4.500 20.712 ( 0.000 -31.917 19.306) 37.302 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 11.217 9.377 23.284) 27.493 2.108 ( 16.154 21.466 24.895) 36.626 3.272 ( 13.735 31.766 31.843) 47.028 4.169 ( 5.330 18.364 -16.208) 25.067 4.596 ( 15.877 28.675 -16.482) 36.688 5.044 ( -5.875 -4.527 -2.366) 7.785 6.823 ( -0.688 -6.953 0.298) 6.993 7.958 ( 13.271 -5.798 2.116) 14.636 8.438 ( -1.872 9.535 11.245) 14.861 8.889 ( -9.357 13.411 -1.692) 16.440 10.008 ( 21.714 26.537 -22.825) 41.191 12.385 ( -6.628 -11.723 0.169) 13.468 13.558 ( 14.933 26.704 -42.825) 52.631 14.025 ( -3.090 -6.376 3.263) 7.800 17.029 ( -2.410 -0.248 -7.191) 7.588 17.836 ( 1.173 -0.084 -0.035) 1.177 18.059 ( 9.065 14.289 -1.176) 16.963 20.314 ( -14.931 -28.360 24.952) 40.618 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 17.382 9.993 6.944) 21.218 2.686 ( 18.051 18.652 17.184) 31.129 3.767 ( 7.052 10.346 10.316) 16.223 4.484 ( 12.831 22.161 -13.538) 28.966 4.709 ( -2.090 7.185 1.105) 7.564 5.546 ( 28.301 33.771 -6.890) 44.597 6.779 ( 3.837 -3.683 -1.042) 5.419 8.190 ( 13.782 -2.765 7.851) 16.101 8.550 ( 1.750 8.209 18.173) 20.018 8.931 ( -1.921 16.084 -5.480) 17.100 10.501 ( 18.418 17.737 -20.356) 32.684 12.100 ( -10.962 -13.927 0.207) 17.725 13.813 ( 2.257 9.863 -22.681) 24.835 13.899 ( 0.529 -4.148 -14.066) 14.674 16.864 ( -11.369 -4.756 -4.375) 13.077 17.904 ( 9.979 -6.115 -0.197) 11.706 18.399 ( 9.242 20.201 -1.579) 22.271 19.862 ( -16.575 -21.561 23.464) 35.919 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 21.919 11.061 -4.923) 25.040 3.184 ( 13.997 16.532 9.245) 23.552 3.769 ( -5.894 -5.604 -5.768) 9.970 4.941 ( 10.643 16.040 15.869) 24.947 4.962 ( 18.148 23.472 -12.230) 32.091 6.150 ( 10.359 10.341 0.323) 14.641 7.026 ( 23.906 15.086 -7.605) 29.273 8.312 ( -1.317 -0.254 12.264) 12.337 8.867 ( 16.650 7.756 17.566) 25.415 9.092 ( 3.599 15.778 -3.329) 16.522 10.895 ( 16.765 14.291 -20.826) 30.315 11.751 ( -13.043 -13.018 0.203) 18.429 13.654 ( -10.634 -7.140 8.089) 15.149 13.963 ( 6.993 6.924 -33.629) 35.039 16.539 ( -17.516 -6.642 -2.450) 18.893 18.035 ( 14.808 -11.542 -0.213) 18.776 18.731 ( 5.221 20.651 -0.766) 21.315 19.467 ( -14.720 -16.303 17.758) 28.246 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( 22.413 8.518 -6.854) 24.937 3.531 ( -6.472 -4.868 -2.387) 8.443 3.584 ( 8.524 14.576 -3.681) 17.282 5.328 ( 11.319 12.272 14.785) 22.300 5.523 ( 21.913 22.145 -7.764) 32.107 6.226 ( -0.555 -2.371 0.937) 2.610 7.718 ( 31.165 22.004 -4.913) 38.465 8.267 ( -7.549 -0.444 13.060) 15.092 9.222 ( 10.229 8.946 -4.311) 14.256 9.365 ( 10.579 8.340 11.156) 17.491 11.205 ( 7.965 1.321 -11.711) 14.224 11.465 ( -4.292 3.717 -6.559) 8.675 13.423 ( -10.657 -7.233 12.474) 17.930 14.053 ( 7.256 5.691 -23.876) 25.595 16.130 ( -20.255 -7.537 -1.484) 21.663 18.168 ( 16.319 -16.236 -0.009) 23.020 18.968 ( -1.361 16.575 1.621) 16.710 19.149 ( -10.867 -8.964 9.807) 17.165 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( -7.683 -8.445 -2.531) 11.694 3.589 ( 13.690 3.735 -1.892) 14.316 3.969 ( 14.420 20.854 -9.064) 26.926 5.637 ( 7.624 6.877 12.015) 15.805 6.013 ( 12.020 3.193 -2.520) 12.689 6.256 ( 8.782 13.210 -3.253) 16.193 8.131 ( -10.482 -2.764 11.414) 15.741 8.428 ( 26.718 18.364 1.220) 32.444 9.427 ( 7.817 5.741 -8.157) 12.673 9.555 ( 3.130 1.123 -1.799) 3.781 11.016 ( -11.354 -7.125 0.511) 13.414 11.756 ( 14.550 18.410 -9.599) 25.353 13.249 ( -6.912 -5.224 17.297) 19.346 14.187 ( 9.432 4.911 -15.678) 18.944 15.695 ( -20.168 -7.680 -1.161) 21.612 18.268 ( 16.192 -20.469 0.330) 26.101 18.842 ( -9.536 -8.728 5.582) 14.081 19.161 ( -4.837 19.253 0.516) 19.858 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -4.220 -7.235 -0.610) 8.398 3.775 ( 4.981 3.220 -0.035) 5.932 4.402 ( 14.877 18.047 -9.070) 25.086 5.786 ( 1.670 0.264 7.610) 7.796 6.043 ( 1.641 -4.516 0.552) 4.837 6.728 ( 18.416 20.219 -3.765) 27.607 7.924 ( -12.122 -5.128 8.082) 15.446 8.943 ( 12.374 6.062 7.275) 15.582 9.516 ( 2.680 -0.520 -23.914) 24.070 9.590 ( 5.684 5.247 -2.125) 8.022 10.794 ( -10.183 1.370 -0.309) 10.279 12.111 ( 7.875 12.162 3.570) 14.922 13.208 ( -0.696 -0.668 17.144) 17.171 14.371 ( 10.910 4.105 -9.265) 14.890 15.294 ( -16.474 -6.821 -1.492) 17.892 18.322 ( 15.391 -23.675 0.694) 28.247 18.628 ( -7.002 -7.002 0.802) 9.935 19.247 ( -8.310 20.182 0.843) 21.842 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 1.154 -4.769 0.647) 4.949 3.842 ( -0.611 3.170 -0.252) 3.238 4.742 ( 7.954 13.387 -6.282) 16.791 5.772 ( -2.324 -4.723 4.557) 6.963 6.036 ( 1.558 -3.265 1.107) 3.783 7.176 ( 12.436 13.753 -1.670) 18.617 7.684 ( -11.200 -3.697 4.833) 12.746 8.932 ( -8.779 -6.784 -3.821) 11.735 9.477 ( 3.307 -8.343 -7.470) 11.676 9.844 ( 10.989 15.331 -13.453) 23.169 10.701 ( -6.056 8.648 -1.282) 10.635 12.275 ( -0.221 2.908 14.955) 15.237 13.282 ( 0.137 2.722 13.121) 13.402 14.566 ( 8.724 3.230 -4.026) 10.137 15.024 ( -5.894 -3.763 -2.919) 7.577 18.336 ( 13.982 -24.544 0.732) 28.257 18.469 ( -3.710 -5.726 -2.172) 7.160 19.285 ( -10.781 20.125 1.012) 22.853 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 7.065 -1.606 1.020) 7.317 3.818 ( -5.451 2.760 -0.473) 6.128 4.873 ( -3.392 7.714 -6.102) 10.404 5.637 ( -6.727 -8.577 3.059) 11.322 6.056 ( 3.795 -3.088 2.941) 5.708 7.233 ( -9.834 -6.100 -1.594) 11.681 7.662 ( 1.599 11.800 5.240) 13.009 8.650 ( -10.959 -6.843 -8.990) 15.740 9.428 ( 4.383 -10.018 -3.144) 11.378 10.038 ( -0.826 10.159 -14.348) 17.600 10.743 ( -0.978 12.138 -1.028) 12.221 12.304 ( -1.816 -1.004 14.458) 14.606 13.280 ( -7.271 -0.545 13.573) 15.408 14.681 ( 4.079 1.037 -2.208) 4.752 15.056 ( 10.227 3.724 -3.006) 11.291 18.321 ( 8.632 -17.600 -0.627) 19.613 18.377 ( 3.423 -10.917 -1.793) 11.581 19.284 ( -12.480 19.213 0.997) 22.932 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( 10.786 0.962 0.489) 10.840 3.706 ( -10.141 1.998 -0.348) 10.342 4.719 ( -15.579 -0.452 -11.407) 19.314 5.435 ( -7.302 -7.885 6.485) 12.552 6.096 ( 2.930 -4.808 4.832) 7.420 6.906 ( -17.619 -7.094 -3.765) 19.363 7.792 ( -2.564 8.619 8.285) 12.227 8.411 ( -6.006 -5.524 -5.330) 9.746 9.416 ( 4.234 -5.932 -5.337) 9.034 9.892 ( -17.162 0.181 -10.283) 20.007 10.882 ( 3.049 11.553 -0.011) 11.948 12.293 ( -2.698 -0.109 0.244) 2.711 13.146 ( -8.638 -4.274 19.188) 21.472 14.762 ( 6.183 0.149 -4.879) 7.877 15.360 ( 16.323 9.701 -1.107) 19.020 18.299 ( 7.763 -14.680 0.155) 16.607 18.339 ( 5.309 -11.237 -0.906) 12.461 19.242 ( -13.804 17.273 0.790) 22.125 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 0.000 9.838 20.531) 22.767 2.265 ( 0.000 22.791 23.060) 32.423 3.574 ( 0.000 27.138 23.468) 35.878 4.280 ( -0.000 22.522 -16.458) 27.894 4.752 ( -0.000 29.823 -10.164) 31.507 5.076 ( -0.000 14.113 -6.947) 15.730 6.755 ( -0.000 -7.239 0.571) 7.261 7.804 ( 0.000 -1.963 3.819) 4.294 8.593 ( 0.000 9.598 14.700) 17.556 9.086 ( 0.000 6.280 -0.545) 6.303 10.047 ( -0.000 34.197 -25.367) 42.578 12.315 ( -0.000 -14.539 0.150) 14.540 13.563 ( -0.000 23.737 -40.901) 47.290 14.001 ( 0.000 -6.336 4.395) 7.711 16.995 ( -0.000 -5.485 -6.384) 8.416 17.989 ( 0.000 7.872 -0.005) 7.872 18.004 ( 0.000 13.856 -1.436) 13.930 20.205 ( 0.000 -31.600 23.690) 39.494 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 8.177 11.761 9.342) 17.102 2.664 ( 12.068 19.553 17.667) 28.984 3.829 ( 1.007 7.883 6.428) 10.221 4.529 ( 6.234 26.837 -15.063) 31.401 4.876 ( -3.448 13.571 4.533) 14.718 5.536 ( 14.602 44.473 -9.002) 47.666 6.699 ( 0.454 -2.702 -0.828) 2.863 7.945 ( 13.584 1.051 8.105) 15.853 8.712 ( -2.615 8.005 19.284) 21.043 9.112 ( -2.621 10.106 -3.916) 11.151 10.391 ( 10.385 26.429 -22.825) 36.432 12.099 ( -6.426 -16.499 0.214) 17.708 13.693 ( 6.906 11.229 -35.602) 37.964 13.926 ( -4.174 -3.012 2.166) 5.585 16.891 ( -1.282 -10.236 -4.740) 11.353 17.883 ( -9.095 4.891 0.039) 10.327 18.381 ( 14.214 17.705 -1.368) 22.746 19.900 ( -7.998 -27.550 21.796) 36.028 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 14.233 14.659 -2.335) 20.565 3.129 ( 14.624 16.310 10.839) 24.442 3.794 ( -5.140 -5.325 -4.520) 8.672 4.926 ( 11.992 28.611 -13.110) 33.678 5.068 ( 2.280 19.925 13.972) 24.442 6.101 ( 9.641 15.413 -0.481) 18.186 6.837 ( 13.312 19.925 -8.632) 25.470 8.265 ( 13.070 3.473 11.810) 17.954 8.826 ( 2.574 6.093 20.127) 21.186 9.205 ( 0.976 13.522 -4.033) 14.144 10.749 ( 11.817 20.688 -21.363) 32.000 11.795 ( -8.993 -15.879 0.382) 18.252 13.718 ( -1.468 -7.050 -4.111) 8.292 13.872 ( 0.193 9.709 -21.671) 23.748 16.697 ( -8.164 -10.469 -2.894) 13.588 17.804 ( -0.667 -3.195 0.121) 3.266 18.787 ( 11.169 18.743 -0.831) 21.834 19.549 ( -10.380 -22.228 17.366) 30.056 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 17.819 15.874 -7.917) 25.143 3.547 ( 12.468 14.734 2.838) 19.509 3.580 ( -7.975 -8.258 -4.466) 12.318 5.352 ( 8.120 18.089 5.588) 20.600 5.444 ( 13.455 25.912 0.156) 29.197 6.191 ( 0.502 -4.571 1.417) 4.812 7.455 ( 25.571 30.656 -7.743) 40.665 8.422 ( -2.986 2.137 14.486) 14.945 9.074 ( 12.621 3.063 6.801) 14.660 9.378 ( 3.976 12.426 1.284) 13.110 11.080 ( 10.422 16.247 -15.402) 24.694 11.522 ( -5.576 -7.719 -2.154) 9.763 13.550 ( -8.271 -7.531 8.197) 13.868 13.938 ( 4.591 7.962 -23.094) 24.856 16.382 ( -15.928 -8.555 -1.368) 18.132 17.792 ( 7.512 -11.894 0.032) 14.068 19.109 ( 3.300 13.170 2.516) 13.809 19.231 ( -7.250 -12.544 9.193) 17.159 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( -7.737 -10.433 -2.103) 13.158 3.395 ( 15.744 14.235 -6.810) 22.290 3.919 ( 12.200 16.904 -3.692) 21.171 5.642 ( 5.843 10.307 10.812) 16.040 5.908 ( 9.244 15.064 -2.010) 17.788 6.191 ( 7.726 3.577 -1.563) 8.656 8.165 ( 22.677 21.170 0.565) 31.028 8.359 ( -7.543 3.427 11.004) 13.774 9.271 ( 9.352 -1.679 -8.971) 13.067 9.550 ( 2.519 6.526 2.255) 7.350 11.135 ( -7.488 -1.225 1.488) 7.732 11.666 ( 14.929 19.184 -10.986) 26.676 13.367 ( -7.937 -6.396 12.977) 16.502 14.043 ( 6.979 5.844 -16.421) 18.775 15.984 ( -20.278 -6.851 -0.583) 21.412 17.810 ( 11.958 -18.983 0.260) 22.437 18.914 ( -8.985 -13.163 6.770) 17.315 19.377 ( 1.388 17.226 -0.014) 17.282 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( -5.521 -10.441 -0.743) 11.834 3.726 ( 8.289 11.250 -0.512) 13.983 4.307 ( 14.541 18.251 -8.794) 24.937 5.801 ( 0.597 2.618 7.273) 7.753 5.973 ( 1.207 -3.243 1.582) 3.805 6.610 ( 18.419 20.405 -2.738) 27.625 8.117 ( -12.677 -6.745 11.502) 18.398 8.816 ( 16.457 18.789 0.996) 24.997 9.334 ( 7.746 -1.816 -21.660) 23.076 9.594 ( -1.140 0.535 2.399) 2.709 11.007 ( -9.239 6.417 0.963) 11.290 12.099 ( 12.217 17.652 -0.743) 21.481 13.260 ( -2.472 -4.100 14.111) 14.901 14.197 ( 9.762 4.496 -10.302) 14.888 15.559 ( -20.849 -5.488 -0.455) 21.564 17.821 ( 13.907 -24.089 0.752) 27.826 18.672 ( -7.104 -9.917 1.984) 12.360 19.536 ( -2.961 17.174 0.404) 17.432 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( -0.644 -9.124 0.492) 9.160 3.910 ( 0.666 10.217 1.881) 10.410 4.701 ( 12.550 16.874 -8.175) 22.563 5.776 ( -2.777 -4.504 4.109) 6.699 5.976 ( 1.270 -3.645 1.641) 4.194 7.092 ( 14.778 15.651 -0.448) 21.530 7.860 ( -11.541 -4.902 7.145) 14.432 8.976 ( -4.350 -3.152 -5.090) 7.400 9.368 ( -0.741 -0.981 -16.025) 16.072 9.728 ( 14.315 10.785 -2.353) 18.077 10.957 ( -9.161 14.740 -0.502) 17.362 12.355 ( 1.438 5.065 13.027) 14.050 13.305 ( 4.093 1.541 8.422) 9.490 14.402 ( 11.549 4.230 -5.455) 13.455 15.175 ( -16.712 -3.910 -1.058) 17.196 17.817 ( 14.957 -27.053 1.275) 30.938 18.485 ( -4.941 -6.767 -1.380) 8.492 19.625 ( -6.496 16.773 0.630) 17.998 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 5.724 -6.449 0.895) 8.669 3.976 ( -5.190 9.820 2.222) 11.327 4.977 ( 2.875 13.633 -7.084) 15.631 5.655 ( -5.060 -9.427 4.049) 11.439 5.960 ( 2.527 -4.679 0.376) 5.331 7.285 ( -2.190 -5.006 2.854) 6.165 7.805 ( 0.061 14.360 4.065) 14.924 8.743 ( -11.146 -6.342 -12.413) 17.847 9.267 ( 0.432 -7.407 -4.324) 8.587 10.063 ( 7.808 13.482 -10.766) 18.938 10.974 ( -7.697 18.337 -0.837) 19.905 12.376 ( -3.093 -5.037 19.865) 20.725 13.399 ( -0.521 2.089 5.143) 5.575 14.608 ( 6.695 2.589 -2.099) 7.479 14.968 ( -1.181 1.506 -2.571) 3.205 17.811 ( 15.631 -27.823 1.566) 31.951 18.359 ( -2.572 -3.797 -2.756) 5.351 19.652 ( -9.285 15.761 0.705) 18.306 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 11.482 -3.368 0.587) 11.980 3.942 ( -10.362 8.917 2.132) 13.835 4.963 ( -13.152 4.638 -12.717) 18.873 5.477 ( -4.900 -7.783 6.650) 11.349 5.986 ( 4.868 -5.653 3.703) 8.329 7.080 ( -11.297 -8.385 0.976) 14.102 7.992 ( -2.386 15.868 7.645) 17.775 8.452 ( -9.045 -6.742 -10.422) 15.358 9.248 ( 5.783 -3.985 -4.632) 8.413 10.119 ( -8.835 5.912 -11.555) 15.701 11.046 ( -5.086 17.266 -0.919) 18.023 12.328 ( -1.529 -5.833 13.379) 14.675 13.323 ( -9.494 -2.887 8.578) 13.117 14.650 ( 3.015 -2.064 -4.291) 5.635 15.181 ( 14.797 10.736 -1.409) 18.335 17.812 ( 15.335 -26.811 1.462) 30.922 18.306 ( 0.094 -1.010 -1.567) 1.866 19.623 ( -11.534 13.893 0.640) 18.068 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 0.000 15.391 6.017) 16.525 2.800 ( 0.000 18.113 15.588) 23.897 3.875 ( -0.000 -0.323 -1.460) 1.495 4.703 ( -0.000 28.985 -14.914) 32.597 5.086 ( 0.000 18.223 6.904) 19.487 5.832 ( 0.000 38.416 -5.965) 38.876 6.728 ( -0.000 11.327 -1.960) 11.495 7.864 ( 0.000 3.503 9.789) 10.396 8.889 ( 0.000 7.910 21.845) 23.233 9.176 ( -0.000 4.135 -4.433) 6.062 10.521 ( -0.000 29.287 -23.049) 37.270 11.983 ( -0.000 -18.248 0.130) 18.249 13.620 ( -0.000 5.340 -24.533) 25.107 13.953 ( -0.000 1.752 -4.684) 5.001 16.741 ( -0.000 -15.653 -4.084) 16.177 18.165 ( 0.000 9.416 0.154) 9.417 18.319 ( 0.000 16.853 -1.277) 16.901 19.751 ( 0.000 -27.826 19.700) 34.094 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 6.015 19.397 -0.803) 20.325 3.103 ( 9.718 15.213 11.470) 21.387 3.800 ( -3.533 -5.883 -5.865) 9.027 5.015 ( 6.671 29.960 -13.074) 33.362 5.299 ( -0.129 20.092 9.316) 22.147 6.112 ( 3.570 8.267 1.215) 9.087 6.954 ( 2.144 35.601 -8.747) 36.723 8.089 ( 14.570 6.183 12.435) 20.128 8.973 ( -4.772 4.206 19.284) 20.306 9.251 ( 4.484 6.668 -2.345) 8.371 10.776 ( 4.758 26.352 -21.114) 34.101 11.750 ( -4.980 -17.988 0.256) 18.666 13.621 ( 2.711 -0.194 -11.509) 11.826 13.936 ( -2.657 5.444 -11.972) 13.417 16.576 ( 1.569 -17.984 -3.136) 18.322 18.012 ( -17.264 7.298 0.218) 18.745 18.714 ( 16.409 15.644 -0.670) 22.681 19.498 ( -4.868 -24.743 16.342) 30.050 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 10.924 21.822 -6.298) 25.203 3.475 ( 12.506 12.419 6.029) 18.627 3.615 ( -6.767 -7.475 -5.364) 11.421 5.413 ( 8.931 25.272 -7.839) 27.926 5.556 ( 4.324 20.654 9.164) 23.006 6.148 ( -0.402 -4.135 2.210) 4.706 7.437 ( 12.721 37.713 -8.053) 40.607 8.448 ( 10.774 5.797 13.692) 18.362 8.977 ( 0.093 -1.800 8.656) 8.842 9.419 ( 5.146 9.057 1.160) 10.481 11.081 ( 7.743 25.146 -15.825) 30.703 11.497 ( -4.449 -13.509 -0.473) 14.230 13.597 ( -2.263 -4.066 2.670) 5.364 13.919 ( -0.550 7.921 -18.634) 20.255 16.399 ( -1.234 -17.470 -1.834) 17.609 17.783 ( -13.215 0.555 0.315) 13.230 19.122 ( 12.072 14.304 0.441) 18.723 19.212 ( -6.139 -20.005 11.245) 23.756 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 9.565 11.728 -3.920) 15.633 3.377 ( -4.756 0.420 -7.344) 8.759 3.849 ( 12.588 12.992 1.583) 18.159 5.697 ( 4.262 11.222 6.790) 13.791 5.960 ( 9.061 25.193 -1.535) 26.817 6.088 ( 1.624 -3.612 -0.034) 3.961 8.048 ( 19.024 29.256 -1.510) 34.930 8.557 ( -6.828 1.256 15.349) 16.846 9.030 ( 9.850 -6.553 -7.230) 13.864 9.584 ( 2.908 7.296 0.899) 7.905 11.260 ( -5.101 0.832 2.302) 5.658 11.553 ( 15.071 20.037 -11.364) 27.527 13.478 ( -7.527 -5.087 8.336) 12.330 13.966 ( 3.424 7.250 -15.965) 17.865 16.157 ( -8.450 -13.566 -0.569) 15.993 17.582 ( -5.019 -8.905 0.229) 10.224 18.931 ( -7.266 -16.221 7.490) 19.288 19.451 ( 8.146 14.022 -0.123) 16.217 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -7.292 -11.795 -1.025) 13.905 3.721 ( 10.301 21.244 -3.334) 23.844 4.200 ( 13.620 13.773 -4.394) 19.862 5.851 ( 1.493 4.113 7.319) 8.527 5.967 ( -3.585 -2.639 0.322) 4.464 6.491 ( 17.214 21.644 -2.041) 27.730 8.286 ( -10.777 -8.207 13.438) 19.080 8.759 ( 16.769 25.575 0.081) 30.582 9.094 ( 8.906 -4.760 -15.810) 18.759 9.634 ( -2.390 0.301 0.739) 2.520 11.216 ( -4.373 8.057 1.124) 9.236 12.032 ( 15.752 20.707 -3.158) 26.208 13.318 ( -6.493 -6.226 8.872) 12.634 14.078 ( 6.358 6.442 -9.807) 13.345 15.837 ( -15.692 -7.846 0.079) 17.545 17.432 ( 3.344 -18.673 0.450) 18.975 18.686 ( -6.352 -12.194 3.219) 14.121 19.688 ( 3.340 13.569 0.148) 13.974 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( -3.779 -11.233 0.187) 11.853 4.033 ( 2.685 18.289 2.591) 18.666 4.581 ( 16.060 14.487 -8.077) 23.087 5.823 ( -5.544 -3.040 2.935) 6.971 5.934 ( 0.753 -2.848 2.447) 3.830 6.974 ( 15.756 15.377 0.059) 22.016 8.020 ( -11.015 -7.322 7.725) 15.317 8.981 ( -1.157 -3.618 -6.910) 7.885 9.363 ( 6.152 18.367 -18.092) 26.505 9.579 ( 7.294 -1.701 7.140) 10.348 11.264 ( -6.027 17.551 -0.022) 18.557 12.393 ( 5.735 8.267 8.325) 13.059 13.236 ( 2.731 -5.007 3.805) 6.856 14.256 ( 9.207 6.958 -4.916) 12.544 15.477 ( -19.416 -2.054 -0.021) 19.525 17.325 ( 9.803 -25.885 1.024) 27.697 18.491 ( -4.805 -8.353 -0.009) 9.637 19.842 ( -1.014 13.010 0.323) 13.053 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 2.268 -9.172 0.689) 9.473 4.201 ( -4.182 16.237 4.216) 17.289 4.957 ( 12.596 13.065 -7.391) 19.595 5.675 ( -6.278 -8.348 4.497) 11.373 5.899 ( -0.650 -3.720 -1.434) 4.040 7.232 ( 3.617 -3.867 3.800) 6.517 7.944 ( 0.719 11.746 3.571) 12.298 8.815 ( -8.341 -5.742 -12.776) 16.302 9.264 ( -7.100 -3.860 -2.087) 8.346 9.983 ( 14.875 17.250 -7.793) 24.074 11.328 ( -9.069 20.833 -0.268) 22.722 12.434 ( -4.259 -7.703 19.796) 21.665 13.326 ( 9.111 -2.512 -2.858) 9.873 14.490 ( 9.958 6.509 -1.996) 12.063 15.161 ( -16.515 4.591 -0.687) 17.155 17.264 ( 14.522 -28.937 1.561) 32.415 18.356 ( -2.817 -4.763 -1.640) 5.772 19.917 ( -4.833 11.915 0.421) 12.865 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 9.142 -6.122 0.554) 11.016 4.244 ( -9.768 13.925 3.888) 17.448 5.126 ( -3.974 3.456 -11.376) 12.536 5.513 ( -3.544 -4.095 7.020) 8.866 5.863 ( 2.569 -4.993 0.077) 5.615 7.131 ( -4.757 -10.480 5.057) 12.571 8.195 ( 3.069 19.522 5.118) 20.413 8.525 ( -11.556 -6.840 -13.657) 19.153 9.157 ( -0.222 -2.524 0.390) 2.564 10.239 ( 0.008 12.274 -14.187) 18.760 11.370 ( -9.552 19.974 -0.635) 22.149 12.309 ( -2.604 -14.567 21.489) 26.091 13.391 ( 1.281 -3.943 -2.141) 4.666 14.607 ( -0.329 -1.161 -2.516) 2.790 15.123 ( 3.321 14.837 -0.614) 15.217 17.263 ( 17.186 -27.412 1.658) 32.396 18.291 ( -0.417 -1.546 -1.205) 2.004 19.915 ( -8.098 9.986 0.437) 12.864 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 0.000 23.381 -1.003) 23.402 3.194 ( 0.000 13.457 9.849) 16.676 3.750 ( -0.000 -6.564 -7.200) 9.743 5.220 ( -0.000 30.688 -11.663) 32.829 5.511 ( 0.000 17.539 5.708) 18.444 6.134 ( 0.000 0.608 2.904) 2.967 7.335 ( -0.000 43.346 -9.012) 44.273 8.048 ( 0.000 6.409 13.415) 14.867 9.162 ( 0.000 3.904 23.357) 23.681 9.200 ( -0.000 2.500 -7.098) 7.526 10.946 ( -0.000 27.340 -18.921) 33.249 11.605 ( -0.000 -19.213 0.017) 19.213 13.581 ( -0.000 2.330 -5.929) 6.371 13.973 ( -0.000 5.366 -13.699) 14.712 16.350 ( -0.000 -20.566 -2.954) 20.777 18.356 ( 0.000 9.280 0.258) 9.283 18.617 ( 0.000 12.809 -0.401) 12.816 19.342 ( 0.000 -23.870 14.334) 27.843 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 3.962 24.329 -3.117) 24.846 3.426 ( 8.353 10.949 7.032) 15.463 3.626 ( -3.977 -5.365 -6.745) 9.492 5.527 ( 3.895 26.434 -8.137) 27.931 5.708 ( 2.999 16.067 5.241) 17.164 6.137 ( -0.375 -0.993 1.993) 2.258 7.697 ( -0.507 37.094 -5.775) 37.544 8.305 ( 14.589 6.273 11.216) 19.442 9.072 ( -8.690 -1.630 5.803) 10.576 9.382 ( 8.066 4.844 5.674) 10.987 11.200 ( 4.038 27.839 -14.390) 31.597 11.399 ( -1.697 -16.893 0.067) 16.979 13.606 ( -0.097 2.236 1.620) 2.763 13.962 ( -1.806 6.302 -16.653) 17.897 16.158 ( 2.952 -21.613 -2.257) 21.930 18.157 ( -22.158 6.680 0.320) 23.145 18.980 ( 17.798 10.409 -0.254) 20.620 19.128 ( -3.136 -20.291 11.427) 23.498 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( 3.514 6.953 -2.897) 8.312 3.467 ( -2.581 9.474 -8.236) 12.816 3.770 ( 11.483 11.906 5.303) 17.370 5.742 ( 2.889 7.924 3.037) 8.965 6.025 ( 7.206 19.139 -1.489) 20.505 6.125 ( -1.161 7.467 -0.388) 7.567 8.087 ( 9.424 27.561 1.238) 29.154 8.628 ( 11.179 2.665 10.216) 15.376 8.873 ( -8.694 -7.978 -1.445) 11.888 9.578 ( 6.215 6.084 0.912) 8.745 11.246 ( 1.259 -10.655 -0.926) 10.769 11.566 ( 8.879 29.519 -7.325) 31.684 13.583 ( -5.751 -0.837 5.197) 7.796 13.962 ( 0.367 7.980 -15.353) 17.307 15.996 ( 3.494 -21.261 -1.106) 21.575 17.811 ( -22.159 1.584 0.254) 22.217 18.890 ( -4.735 -17.450 7.718) 19.659 19.376 ( 14.494 10.487 0.015) 17.890 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( -7.572 -11.302 -1.702) 13.710 3.768 ( 10.141 25.760 -7.365) 28.647 4.102 ( 11.234 11.826 2.908) 16.568 5.846 ( 3.305 -0.180 5.652) 6.550 6.029 ( -4.725 -0.194 -1.518) 4.966 6.485 ( 10.438 26.175 -1.592) 28.224 8.396 ( -4.642 -6.777 11.577) 14.195 8.747 ( 8.683 17.125 3.074) 19.445 8.845 ( 10.269 -2.298 -7.991) 13.213 9.679 ( -0.747 2.713 -1.884) 3.386 11.251 ( 6.079 0.304 -1.096) 6.184 12.019 ( 11.107 26.693 -2.145) 28.991 13.425 ( -9.922 -4.784 2.813) 11.369 14.042 ( 3.291 8.783 -8.396) 12.588 15.838 ( 0.837 -17.747 0.007) 17.767 17.438 ( -18.069 -5.827 0.071) 18.986 18.669 ( -4.990 -13.343 4.315) 14.885 19.691 ( 9.944 9.878 0.010) 14.016 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( -6.873 -10.995 -0.486) 12.976 4.175 ( 7.713 24.333 -1.398) 25.564 4.419 ( 13.076 10.729 -2.337) 17.075 5.884 ( -0.204 -3.604 2.803) 4.570 5.916 ( -4.520 -2.908 0.653) 5.414 6.905 ( 10.820 18.929 -0.035) 21.803 8.133 ( -9.535 -10.627 4.376) 14.933 8.889 ( 3.547 -5.615 -2.433) 7.073 9.296 ( 21.495 21.577 0.360) 30.458 9.587 ( -8.435 -1.513 -3.965) 9.442 11.431 ( 6.186 11.928 -0.670) 13.454 12.408 ( 7.060 16.036 2.780) 17.740 13.200 ( -7.184 -8.874 0.386) 11.424 14.196 ( 5.949 9.879 -3.598) 12.080 15.671 ( -4.782 -8.748 0.439) 9.980 17.083 ( -9.796 -16.034 0.205) 18.790 18.484 ( -4.235 -9.214 1.437) 10.242 19.918 ( 5.210 9.228 0.078) 10.598 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -2.560 -9.188 0.233) 9.541 4.456 ( -1.844 20.547 4.766) 21.173 4.779 ( 17.313 9.757 -6.652) 20.957 5.720 ( -7.259 -9.422 2.491) 12.152 5.887 ( -0.770 -1.566 -0.623) 1.853 7.151 ( 3.527 0.458 2.021) 4.090 8.031 ( 1.372 7.389 1.815) 7.732 8.825 ( -2.982 -5.926 -6.353) 9.185 9.362 ( -8.834 -7.597 0.716) 11.674 9.876 ( 17.629 23.731 -4.702) 29.934 11.624 ( -1.488 15.558 -0.179) 15.631 12.531 ( -5.950 -0.179 12.934) 14.238 13.081 ( 7.101 -9.446 -6.052) 13.277 14.411 ( 7.599 9.364 -1.265) 12.126 15.508 ( -12.221 6.081 -0.061) 13.650 16.805 ( 2.963 -26.540 0.871) 26.719 18.351 ( -2.795 -5.300 -0.355) 6.002 20.055 ( 0.603 8.083 0.158) 8.107 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 4.127 -6.231 0.371) 7.483 4.566 ( -8.195 15.713 4.659) 18.324 5.082 ( 8.502 2.533 -7.123) 11.377 5.529 ( -2.521 -6.797 3.864) 8.215 5.840 ( -2.830 -0.729 -1.688) 3.374 7.097 ( -2.100 -9.181 3.956) 10.215 8.289 ( 8.669 18.212 2.052) 20.274 8.619 ( -10.408 -5.917 -10.200) 15.728 9.180 ( -4.611 -5.386 4.403) 8.346 10.302 ( 6.660 20.870 -12.295) 25.121 11.678 ( -5.500 9.598 1.611) 11.179 12.343 ( -12.025 -11.352 17.924) 24.387 13.180 ( 13.222 -6.469 -7.216) 16.393 14.580 ( 3.482 2.742 -1.058) 4.557 15.397 ( -13.318 18.499 -0.307) 22.796 16.693 ( 16.003 -28.444 1.414) 32.668 18.282 ( -0.819 -1.855 -0.654) 2.130 20.100 ( -3.684 6.113 0.216) 7.141 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 0.000 18.745 -0.475) 18.752 3.474 ( 0.000 9.688 6.090) 11.443 3.610 ( -0.000 1.908 -7.511) 7.750 5.769 ( -0.000 30.134 -7.380) 31.025 5.794 ( 0.000 6.563 5.205) 8.377 6.150 ( -0.000 2.230 -0.690) 2.334 8.075 ( 0.000 33.039 -3.571) 33.232 8.217 ( 0.000 0.741 10.014) 10.042 9.228 ( -0.000 5.514 -4.677) 7.231 9.302 ( 0.000 -2.482 14.476) 14.687 11.229 ( -0.000 -17.983 -0.423) 17.988 11.404 ( -0.000 28.169 -10.438) 30.040 13.662 ( 0.000 5.693 4.170) 7.057 13.987 ( -0.000 6.381 -17.370) 18.505 15.901 ( -0.000 -22.190 -2.227) 22.301 18.531 ( 0.000 7.884 0.273) 7.889 18.807 ( 0.000 5.105 0.113) 5.107 18.993 ( 0.000 -17.257 9.624) 19.759 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( -1.050 -1.954 -1.756) 2.829 3.586 ( 0.598 12.230 -2.390) 12.476 3.760 ( 6.779 18.408 1.810) 19.700 5.809 ( -2.539 3.527 4.312) 6.122 6.110 ( 2.431 16.466 -4.533) 17.251 6.198 ( 4.756 14.054 -2.239) 15.005 8.220 ( 1.843 7.422 5.872) 9.642 8.467 ( 9.567 11.613 2.050) 15.185 9.060 ( -14.215 -1.692 4.723) 15.075 9.494 ( 10.152 4.936 0.948) 11.328 11.074 ( 2.481 -14.590 -1.427) 14.868 11.712 ( 5.878 28.381 -5.359) 29.475 13.696 ( -4.155 3.085 2.579) 5.782 14.002 ( -0.305 9.232 -13.845) 16.644 15.703 ( 3.257 -22.217 -1.505) 22.505 18.273 ( -25.413 4.582 0.116) 25.823 18.799 ( -1.830 -16.556 7.311) 18.191 19.168 ( 19.087 6.732 0.203) 20.240 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( -6.251 -9.039 -2.048) 11.179 3.795 ( 8.564 15.222 -5.772) 18.395 4.106 ( 7.984 20.404 4.952) 22.463 5.815 ( 0.319 -0.862 4.538) 4.630 6.103 ( -4.235 0.847 -4.476) 6.220 6.590 ( 9.060 26.786 -1.281) 28.306 8.320 ( 5.189 -11.702 1.840) 12.932 8.717 ( 5.867 6.050 10.041) 13.109 8.855 ( -6.143 6.984 1.798) 9.473 9.683 ( 4.349 5.496 -2.979) 7.615 11.057 ( 9.820 -6.840 -2.175) 12.163 12.119 ( 9.231 26.702 -1.724) 28.305 13.572 ( -10.255 -1.681 -3.622) 11.005 14.084 ( 0.916 11.484 -5.466) 12.751 15.557 ( 5.631 -21.614 -0.355) 22.338 17.837 ( -27.619 0.838 -0.216) 27.632 18.622 ( -3.282 -13.175 5.079) 14.496 19.545 ( 16.147 6.427 -0.122) 17.380 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( -8.384 -8.682 -1.119) 12.121 4.126 ( 15.323 12.644 -7.077) 21.089 4.447 ( 5.107 20.743 5.737) 22.119 5.828 ( 1.775 -3.110 2.313) 4.263 5.980 ( -6.275 -4.492 -1.913) 7.951 6.976 ( 5.984 22.270 -0.212) 23.061 8.140 ( -4.642 -14.059 -3.143) 15.136 8.780 ( 2.802 -6.120 10.423) 12.407 9.141 ( 15.326 12.645 6.203) 20.815 9.713 ( -4.100 6.024 -6.501) 9.765 11.277 ( 17.489 2.762 -1.316) 17.755 12.489 ( 5.704 18.810 -1.710) 19.730 13.314 ( -13.462 -4.817 -3.485) 14.716 14.222 ( 2.755 12.244 -1.808) 12.680 15.472 ( 8.091 -18.345 0.532) 20.057 17.341 ( -27.496 -3.816 -0.579) 27.766 18.464 ( -3.327 -9.216 2.738) 10.173 19.846 ( 11.585 5.772 -0.153) 12.944 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -6.951 -6.711 -0.364) 9.668 4.510 ( 18.339 8.851 -6.471) 21.367 4.719 ( 0.415 19.687 5.805) 20.529 5.741 ( -6.181 -10.197 -1.911) 12.077 5.874 ( 0.154 -2.256 2.173) 3.136 7.161 ( -1.627 4.335 -0.167) 4.633 8.051 ( 3.624 4.997 -2.183) 6.547 8.768 ( 0.812 -7.929 5.130) 9.479 9.358 ( 0.536 -8.979 1.637) 9.143 9.856 ( 10.570 23.204 -0.406) 25.501 11.625 ( 14.117 6.647 -0.434) 15.610 12.627 ( -0.133 1.528 -6.206) 6.393 13.036 ( -12.395 -2.846 2.728) 13.007 14.407 ( 4.472 11.301 -0.475) 12.163 15.505 ( 11.616 -7.775 0.616) 13.992 16.812 ( -24.880 -10.296 -0.648) 26.934 18.345 ( -2.527 -5.318 0.919) 5.959 20.056 ( 6.599 4.614 -0.090) 8.053 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -2.152 -3.728 -0.000) 4.305 4.826 ( 3.316 5.744 -0.000) 6.633 4.903 ( 6.618 11.464 0.000) 13.237 5.519 ( -5.245 -9.084 0.000) 10.489 5.869 ( -0.242 -0.419 -0.000) 0.483 7.072 ( -3.787 -6.559 -0.000) 7.574 8.303 ( 9.758 16.902 -0.000) 19.517 8.670 ( -4.554 -7.887 -0.000) 9.107 9.202 ( -4.560 -7.898 0.000) 9.120 10.335 ( 13.400 23.209 -0.000) 26.800 11.755 ( -2.328 -4.032 -0.000) 4.656 12.526 ( -5.991 -10.376 -0.000) 11.981 12.924 ( 2.127 3.683 -0.000) 4.253 14.559 ( 2.957 5.121 -0.000) 5.913 15.730 ( 8.308 14.391 -0.000) 16.617 16.299 ( -12.974 -22.472 -0.000) 25.948 18.279 ( -1.088 -1.885 -0.000) 2.176 20.163 ( 1.522 2.637 -0.000) 3.045 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( -0.000 -5.970 -1.812) 6.239 3.663 ( 0.000 6.104 3.768) 7.173 3.935 ( 0.000 26.151 -2.116) 26.236 5.875 ( 0.000 -0.073 5.194) 5.194 6.194 ( -0.000 2.791 -6.235) 6.831 6.326 ( 0.000 28.736 -3.151) 28.908 8.153 ( -0.000 -10.321 1.494) 10.428 8.601 ( 0.000 16.361 12.277) 20.455 9.272 ( -0.000 -2.885 -0.581) 2.943 9.385 ( 0.000 10.163 1.542) 10.280 10.891 ( -0.000 -14.967 -1.007) 15.001 11.911 ( 0.000 25.526 -3.902) 25.822 13.764 ( -0.000 1.919 -5.320) 5.655 14.080 ( -0.000 12.831 -6.508) 14.387 15.453 ( -0.000 -21.064 -1.218) 21.099 18.668 ( 0.000 -13.852 5.977) 15.086 18.669 ( 0.000 5.638 0.223) 5.643 18.941 ( 0.000 2.166 0.212) 2.176 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( -3.815 -6.410 -1.684) 7.648 3.766 ( 4.851 5.756 0.574) 7.549 4.233 ( 5.021 23.788 1.581) 24.364 5.854 ( -2.969 -0.092 3.524) 4.609 6.156 ( -3.358 -0.233 -6.656) 7.459 6.689 ( 8.771 26.424 -1.053) 27.862 8.082 ( 5.200 -14.295 -1.715) 15.308 8.765 ( 0.631 0.818 21.868) 21.892 9.092 ( -12.380 7.565 -3.293) 14.877 9.623 ( 8.993 8.059 -1.959) 12.233 10.811 ( 7.016 -10.118 -1.364) 12.388 12.204 ( 7.386 21.463 -2.538) 22.840 13.688 ( -6.200 -0.359 -11.577) 13.137 14.205 ( -0.663 14.352 -0.241) 14.369 15.271 ( 2.728 -19.683 -0.132) 19.872 18.338 ( -27.177 1.973 -0.356) 27.250 18.557 ( -2.056 -11.476 5.249) 12.785 19.267 ( 21.054 3.401 -0.406) 21.331 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( -7.645 -5.091 -1.167) 9.259 3.960 ( 11.461 5.488 -3.041) 13.066 4.574 ( 7.060 20.477 4.511) 22.125 5.809 ( -2.049 -1.692 0.948) 2.822 6.031 ( -6.045 -4.534 -3.867) 8.489 7.089 ( 7.466 22.016 -0.184) 23.248 7.993 ( 2.664 -14.422 -5.929) 15.819 8.741 ( -1.682 -9.767 17.582) 20.183 9.115 ( 1.765 9.298 6.622) 11.550 9.788 ( 2.140 8.587 -4.632) 9.989 10.959 ( 17.426 -1.890 -0.731) 17.544 12.524 ( 8.021 13.322 -4.799) 16.274 13.492 ( -10.882 -0.499 -9.407) 14.393 14.335 ( -0.563 14.048 0.881) 14.087 15.155 ( 5.706 -17.830 0.964) 18.746 17.840 ( -30.688 -0.073 -0.970) 30.704 18.434 ( -2.258 -8.373 3.671) 9.417 19.635 ( 17.501 2.929 -0.445) 17.750 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -9.212 -2.655 -0.688) 9.612 4.245 ( 16.817 4.179 -4.808) 17.983 4.891 ( 4.920 17.279 6.148) 18.988 5.718 ( -3.820 -8.544 -4.373) 10.331 5.881 ( -3.995 -3.269 2.304) 5.653 7.261 ( -4.437 3.170 -2.201) 5.880 7.986 ( 8.361 5.307 -5.195) 11.183 8.687 ( 0.838 -10.984 13.703) 17.582 9.236 ( 4.220 -4.333 3.592) 7.035 9.935 ( 4.641 15.776 2.529) 16.638 11.327 ( 22.733 2.396 -0.090) 22.859 12.603 ( -2.923 -3.420 -15.139) 15.793 13.301 ( -11.332 4.821 2.304) 12.528 14.478 ( 1.066 12.125 0.608) 12.187 15.152 ( 12.703 -12.286 1.031) 17.702 17.279 ( -32.355 -1.691 -1.377) 32.429 18.339 ( -2.049 -4.822 1.997) 5.607 19.920 ( 12.613 1.812 -0.356) 12.748 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( -0.000 -3.953 -1.142) 4.115 3.767 ( 0.000 2.292 2.360) 3.290 4.410 ( 0.000 19.520 1.633) 19.588 5.893 ( 0.000 -0.338 0.876) 0.939 6.159 ( -0.000 -1.549 -6.452) 6.635 6.860 ( 0.000 24.881 -0.303) 24.883 7.880 ( -0.000 -15.274 -1.931) 15.396 8.797 ( 0.000 -9.348 23.035) 24.859 9.339 ( -0.000 14.161 -5.624) 15.237 9.576 ( 0.000 5.882 1.768) 6.142 10.644 ( -0.000 -8.297 -0.347) 8.304 12.307 ( -0.000 14.789 -3.333) 15.160 13.691 ( -0.000 -0.585 -16.933) 16.943 14.368 ( 0.000 14.743 2.722) 14.993 15.075 ( -0.000 -15.465 1.310) 15.520 18.468 ( 0.000 -9.378 4.776) 10.524 18.756 ( 0.000 2.877 0.154) 2.882 18.961 ( -0.000 0.271 -1.367) 1.394 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( -4.583 -1.339 -0.774) 4.837 3.836 ( 5.861 1.055 0.365) 5.966 4.638 ( 6.115 13.716 4.055) 15.556 5.844 ( -3.403 -2.990 -2.217) 5.043 6.082 ( -4.782 -1.492 -4.013) 6.419 7.157 ( 7.004 18.202 0.321) 19.506 7.767 ( 4.542 -12.735 -3.578) 13.986 8.722 ( -2.189 -12.862 16.838) 21.302 9.309 ( -10.951 7.874 5.395) 14.527 9.769 ( 8.958 7.767 -1.013) 11.899 10.683 ( 10.855 -1.929 0.525) 11.038 12.469 ( 6.626 6.551 -5.803) 10.977 13.583 ( -4.706 -0.753 -16.217) 16.903 14.501 ( -1.323 12.530 2.351) 12.817 14.963 ( 0.777 -9.830 3.144) 10.350 18.345 ( -21.047 -1.341 0.125) 21.090 18.415 ( -9.178 -5.070 2.882) 10.874 19.304 ( 22.321 0.842 -0.884) 22.354 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( -8.432 1.649 -0.619) 8.614 3.999 ( 12.448 0.293 -2.430) 12.687 4.909 ( 9.694 8.149 7.003) 14.472 5.697 ( -5.310 -8.812 -4.697) 11.310 5.965 ( -6.624 0.653 -0.723) 6.695 7.309 ( -1.177 -3.611 -2.192) 4.385 7.848 ( 12.105 7.001 -4.903) 14.819 8.614 ( -0.879 -12.352 14.142) 18.797 9.219 ( -4.796 -1.146 5.356) 7.280 9.988 ( 6.266 9.609 5.142) 12.571 10.966 ( 20.023 2.291 0.822) 20.170 12.540 ( 0.918 -4.018 -14.157) 14.744 13.458 ( -4.041 0.346 -6.837) 7.949 14.589 ( -0.941 7.182 1.689) 7.438 14.941 ( 3.019 -0.609 2.969) 4.278 17.826 ( -31.787 -0.308 -1.541) 31.826 18.333 ( -1.463 -3.878 2.708) 4.951 19.659 ( 18.130 -0.149 -0.668) 18.143 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( -0.000 2.061 -0.434) 2.106 3.784 ( 0.000 -1.812 1.601) 2.418 4.693 ( 0.000 6.315 4.842) 7.958 5.815 ( -0.000 -7.202 -4.450) 8.466 6.121 ( -0.000 2.212 -3.944) 4.522 7.230 ( 0.000 5.874 1.849) 6.158 7.611 ( -0.000 -4.664 -3.098) 5.599 8.659 ( 0.000 -12.942 13.005) 18.347 9.601 ( -0.000 -2.997 -0.979) 3.152 9.648 ( 0.000 12.140 9.600) 15.477 10.588 ( 0.000 2.158 1.420) 2.583 12.423 ( -0.000 0.368 -6.415) 6.426 13.543 ( -0.000 -3.147 -19.461) 19.714 14.613 ( 0.000 6.197 2.006) 6.514 14.944 ( 0.000 2.965 5.410) 6.169 18.355 ( 0.000 -4.673 3.657) 5.934 18.785 ( 0.000 -0.119 0.107) 0.160 18.944 ( -0.000 -0.521 -2.228) 2.288 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -4.852 5.227 -0.412) 7.144 3.815 ( 6.398 -3.324 0.165) 7.212 4.808 ( 7.514 -0.549 7.376) 10.544 5.675 ( -4.120 -10.077 -4.677) 11.849 6.088 ( -5.242 3.004 -3.849) 7.163 7.217 ( 1.626 -12.473 1.734) 12.697 7.713 ( 9.496 8.673 -5.224) 13.881 8.557 ( -1.551 -11.468 10.210) 15.432 9.392 ( -12.264 -0.856 4.289) 13.020 9.925 ( 10.418 3.103 9.239) 14.266 10.732 ( 11.071 5.459 1.339) 12.417 12.416 ( 3.013 -4.646 -9.079) 10.635 13.426 ( -0.762 -5.682 -16.435) 17.406 14.655 ( -1.103 2.906 3.183) 4.449 15.023 ( -1.418 11.927 3.986) 12.655 18.310 ( -8.369 -1.684 1.416) 8.653 18.368 ( -21.791 -1.705 0.209) 21.858 19.294 ( 22.630 -1.254 -1.041) 22.688 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 0.000 7.837 -0.321) 7.843 3.714 ( 0.000 -6.145 1.427) 6.308 4.723 ( 0.000 -7.122 8.080) 10.771 5.592 ( -0.000 -10.902 -4.889) 11.948 6.151 ( -0.000 2.361 -5.156) 5.670 7.052 ( 0.000 -17.953 4.584) 18.529 7.688 ( -0.000 6.911 -6.749) 9.660 8.495 ( 0.000 -9.384 6.709) 11.536 9.521 ( 0.000 -3.149 0.788) 3.246 9.842 ( 0.000 -3.265 14.823) 15.178 10.709 ( 0.000 8.387 0.776) 8.423 12.319 ( -0.000 -4.534 -4.056) 6.083 13.297 ( -0.000 -8.373 -20.462) 22.108 14.719 ( 0.000 4.791 4.479) 6.559 15.186 ( 0.000 15.375 2.741) 15.617 18.320 ( 0.000 -0.946 2.446) 2.623 18.753 ( -0.000 -3.089 0.102) 3.091 18.917 ( -0.000 -0.756 -2.128) 2.258 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 0.000 -0.000 38.082) 38.082 1.523 ( 0.000 -0.000 38.082) 38.082 2.434 ( 0.000 -0.000 60.420) 60.420 3.842 ( -0.000 0.000 -17.752) 17.752 3.842 ( -0.000 0.000 -17.752) 17.752 5.839 ( -0.000 0.000 -23.457) 23.457 6.976 ( -0.000 0.000 -1.053) 1.053 8.022 ( -0.000 -0.000 -2.920) 2.920 8.022 ( 0.000 0.000 -2.920) 2.920 8.815 ( 0.000 -0.000 4.360) 4.360 8.815 ( 0.000 0.000 4.360) 4.360 12.629 ( 0.000 -0.000 0.204) 0.204 12.629 ( 0.000 -0.000 0.204) 0.204 14.150 ( 0.000 -0.000 3.667) 3.667 16.936 ( -0.000 0.000 -9.899) 9.899 17.818 ( -0.000 0.000 -0.155) 0.155 17.818 ( 0.000 0.000 -0.155) 0.155 21.103 ( 0.000 -0.000 4.652) 4.652 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 12.025 6.943 32.655) 35.484 1.870 ( 17.536 10.124 32.496) 38.289 2.898 ( 22.581 13.037 47.671) 54.336 3.868 ( 8.225 4.749 -18.533) 20.825 4.079 ( 23.155 13.368 -18.759) 32.661 5.310 ( -25.132 -14.510 -9.410) 30.507 6.920 ( -3.306 -1.909 0.041) 3.818 8.108 ( 7.247 4.184 0.570) 8.387 8.173 ( 6.866 3.964 -3.368) 8.614 8.732 ( -2.981 -1.721 4.910) 5.997 9.442 ( 36.607 21.135 -16.620) 45.420 12.547 ( -7.002 -4.042 0.176) 8.087 12.984 ( 25.977 14.998 -19.711) 35.892 14.120 ( -3.564 -2.058 3.545) 5.432 16.965 ( 3.266 1.885 -8.971) 9.731 17.843 ( 3.656 2.111 -0.387) 4.239 17.868 ( 4.132 2.386 -0.133) 4.773 20.823 ( -22.381 -12.922 13.820) 29.306 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 11.762 6.791 17.931) 22.493 2.432 ( 21.452 12.385 23.748) 34.316 3.569 ( 20.218 11.673 26.262) 35.138 4.100 ( 16.834 9.719 -17.378) 26.074 4.595 ( 11.735 6.775 -14.067) 19.532 5.040 ( 17.406 10.050 -3.420) 20.388 6.850 ( -2.415 -1.394 0.789) 2.898 8.303 ( 4.487 2.590 -0.374) 5.194 8.349 ( 12.794 7.387 10.901) 18.360 8.722 ( 1.449 0.837 2.288) 2.835 10.105 ( 26.201 15.127 -21.024) 36.842 12.318 ( -12.565 -7.254 0.121) 14.509 13.446 ( 19.504 11.261 -33.522) 40.385 14.009 ( -6.872 -3.967 2.833) 8.426 16.924 ( -5.917 -3.416 -5.682) 8.887 17.998 ( 6.971 4.025 -0.082) 8.050 18.035 ( 12.953 7.478 -1.839) 15.069 20.310 ( -25.081 -14.480 19.824) 35.096 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 17.141 9.896 0.579) 19.801 2.951 ( 17.542 10.128 14.718) 25.039 3.825 ( -1.824 -1.053 0.247) 2.120 4.527 ( 24.055 13.888 -13.482) 30.875 4.749 ( 12.356 7.134 10.696) 17.832 5.800 ( 33.644 19.425 -3.896) 39.044 6.864 ( 6.544 3.778 -2.324) 7.905 8.360 ( -0.414 -0.239 6.144) 6.163 8.767 ( 18.267 10.547 20.440) 29.372 8.824 ( 7.520 4.342 -3.665) 9.426 10.565 ( 20.442 11.802 -21.655) 32.033 11.985 ( -15.945 -9.206 0.100) 18.412 13.685 ( 9.911 5.722 -25.436) 27.892 13.832 ( -7.812 -4.510 -1.489) 9.143 16.673 ( -13.762 -7.945 -2.906) 16.154 18.177 ( 8.204 4.737 -0.036) 9.473 18.360 ( 14.198 8.197 -1.982) 16.514 19.824 ( -21.991 -12.697 17.600) 30.896 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 22.870 13.204 -9.563) 28.086 3.328 ( 12.325 7.116 6.913) 15.822 3.656 ( -9.228 -5.328 -5.396) 11.944 5.099 ( 27.840 16.073 -8.917) 33.360 5.154 ( 16.261 9.388 15.506) 24.351 6.230 ( 4.419 2.551 0.788) 5.163 7.304 ( 31.202 18.015 -5.366) 36.427 8.329 ( -4.315 -2.491 9.614) 10.828 9.026 ( 10.888 6.286 -6.531) 14.168 9.251 ( 15.865 9.160 20.134) 27.221 10.952 ( 19.968 11.529 -20.938) 31.146 11.599 ( -17.117 -9.882 0.172) 19.766 13.593 ( -10.514 -6.070 10.227) 15.874 13.855 ( 9.694 5.597 -25.817) 28.139 16.299 ( -17.508 -10.108 -1.559) 20.276 18.366 ( 8.016 4.628 -0.016) 9.257 18.637 ( 9.853 5.689 -0.865) 11.410 19.409 ( -18.069 -10.432 12.197) 24.168 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.418 ( -8.467 -4.889 -5.913) 11.426 3.511 ( 24.126 13.929 -9.159) 29.325 3.578 ( 8.273 4.777 2.052) 9.771 5.536 ( 12.119 6.997 13.602) 19.515 5.727 ( 28.079 16.211 -5.949) 32.964 6.209 ( -3.509 -2.026 -0.650) 4.103 8.060 ( 32.653 18.852 -0.938) 37.716 8.225 ( -7.393 -4.268 9.704) 12.925 9.265 ( 11.109 6.414 -6.157) 14.229 9.535 ( 4.181 2.414 5.038) 6.978 11.211 ( -16.184 -9.344 0.294) 18.690 11.387 ( 22.381 12.922 -12.883) 28.877 13.407 ( -8.584 -4.956 15.359) 18.280 14.019 ( 10.568 6.102 -17.726) 21.520 15.874 ( -18.607 -10.743 -1.052) 21.511 18.539 ( 6.785 3.917 -0.030) 7.835 18.801 ( 4.055 2.341 0.492) 4.708 19.070 ( -13.430 -7.754 6.238) 16.716 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( -7.452 -4.302 -1.372) 8.713 3.732 ( 4.937 2.850 -0.408) 5.715 4.041 ( 23.122 13.350 -9.066) 28.197 5.778 ( 5.250 3.031 10.018) 11.709 6.123 ( -2.989 -1.725 -0.785) 3.539 6.339 ( 25.988 15.004 -4.207) 30.302 8.050 ( -10.102 -5.832 7.807) 14.036 8.751 ( 25.703 14.839 4.367) 29.998 9.479 ( 8.340 4.815 -3.941) 10.406 9.490 ( -5.121 -2.957 -15.142) 16.255 10.872 ( -12.771 -7.373 0.124) 14.747 11.861 ( 19.258 11.119 -1.889) 22.318 13.311 ( -4.394 -2.537 19.404) 20.057 14.229 ( 11.495 6.637 -11.369) 17.477 15.453 ( -17.003 -9.816 -1.180) 19.668 18.674 ( 4.848 2.799 -0.065) 5.598 18.744 ( -9.130 -5.271 0.926) 10.583 18.921 ( -0.356 -0.205 1.744) 1.792 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( -3.516 -2.030 0.266) 4.068 3.805 ( 1.699 0.981 -1.464) 2.447 4.487 ( 16.770 9.682 -6.108) 20.305 5.842 ( -1.300 -0.751 5.673) 5.868 6.083 ( -0.884 -0.510 1.407) 1.739 6.883 ( 21.544 12.438 -2.713) 25.024 7.813 ( -11.988 -6.921 4.903) 14.685 9.063 ( -7.510 -4.336 3.337) 9.291 9.456 ( 16.335 9.431 -24.630) 31.023 9.601 ( 2.481 1.433 -0.713) 2.953 10.648 ( -5.962 -3.442 -0.826) 6.933 12.208 ( 9.332 5.388 7.319) 13.026 13.322 ( -0.532 -0.307 19.268) 19.278 14.460 ( 10.382 5.994 -6.206) 13.499 15.112 ( -11.027 -6.366 -2.395) 12.956 18.540 ( -7.528 -4.347 -2.427) 9.026 18.759 ( 2.472 1.427 -0.101) 2.856 18.925 ( -0.346 -0.200 2.199) 2.235 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 1.890 1.091 0.759) 2.310 3.800 ( -1.709 -0.987 -1.731) 2.625 4.741 ( 6.207 3.584 -5.104) 8.799 5.773 ( -6.295 -3.634 4.336) 8.464 6.089 ( 1.299 0.750 2.808) 3.183 7.251 ( 6.413 3.703 -2.459) 7.803 7.578 ( -5.270 -3.043 3.821) 7.185 8.767 ( -12.627 -7.290 -9.126) 17.201 9.591 ( -2.747 -1.586 1.011) 3.329 9.772 ( 12.236 7.064 -16.383) 21.634 10.602 ( 1.964 1.134 -1.495) 2.716 12.341 ( 0.267 0.154 11.029) 11.033 13.359 ( -2.679 -1.547 18.296) 18.556 14.634 ( 5.187 2.995 -2.298) 6.415 14.992 ( 2.852 1.646 -4.523) 5.595 18.392 ( -4.331 -2.501 -3.874) 6.326 18.786 ( -0.111 -0.064 -0.116) 0.173 18.922 ( -0.483 -0.279 2.440) 2.503 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 0.000 8.176 33.672) 34.650 1.941 ( 0.000 16.617 32.416) 36.427 3.079 ( 0.000 26.606 46.771) 53.809 3.863 ( -0.000 12.882 -19.524) 23.391 3.985 ( -0.000 27.187 -19.596) 33.513 5.292 ( -0.000 -24.648 -13.500) 28.103 6.900 ( -0.000 -5.994 -0.030) 5.994 7.881 ( -0.000 -4.865 0.633) 4.906 8.367 ( 0.000 17.521 2.256) 17.665 8.961 ( 0.000 6.231 1.509) 6.411 9.219 ( -0.000 36.676 -16.805) 40.343 12.546 ( -0.000 -8.170 0.186) 8.172 12.926 ( -0.000 25.403 -15.976) 30.009 14.130 ( 0.000 -4.294 3.771) 5.715 16.947 ( -0.000 5.579 -8.989) 10.579 17.837 ( 0.000 3.006 -0.221) 3.014 17.862 ( 0.000 4.533 -0.086) 4.534 20.858 ( 0.000 -24.716 12.105) 27.521 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 6.391 3.096 24.097) 25.121 2.353 ( 13.916 17.469 25.892) 34.194 3.571 ( 9.090 21.435 29.869) 37.872 4.002 ( 5.909 19.565 -18.573) 27.616 4.438 ( 16.912 32.932 -15.955) 40.313 4.998 ( -3.339 -3.294 -7.438) 8.793 6.828 ( -0.592 -6.948 0.662) 7.005 7.986 ( 14.238 -3.499 3.686) 15.117 8.534 ( -1.208 16.182 8.407) 18.276 8.877 ( -9.865 10.518 -0.437) 14.427 9.792 ( 23.043 25.163 -21.688) 40.429 12.387 ( -6.636 -11.717 0.154) 13.467 13.228 ( 11.997 20.228 -26.813) 35.665 14.061 ( -3.537 -5.893 3.850) 7.878 16.961 ( -1.475 0.857 -6.847) 7.056 17.835 ( 1.069 0.037 -0.058) 1.071 18.049 ( 8.695 13.860 -0.895) 16.387 20.509 ( -13.608 -25.435 16.326) 33.146 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 11.439 4.707 7.572) 14.503 2.852 ( 15.318 15.228 16.935) 27.447 3.840 ( 0.302 1.234 4.884) 5.046 4.344 ( 14.188 23.922 -14.823) 31.516 4.745 ( 3.783 14.736 6.052) 16.373 5.481 ( 30.103 34.097 -6.667) 45.970 6.769 ( 2.622 -5.459 -1.115) 6.158 8.258 ( 14.054 0.118 5.968) 15.269 8.729 ( 3.637 11.212 19.137) 22.475 8.885 ( -1.879 14.502 -3.688) 15.081 10.294 ( 18.922 17.571 -22.368) 34.164 12.102 ( -10.971 -13.842 0.157) 17.663 13.500 ( 10.505 12.789 -29.267) 33.623 13.918 ( -6.928 -6.776 4.625) 10.738 16.825 ( -10.361 -4.168 -3.659) 11.753 17.901 ( 9.771 -5.892 -0.334) 11.415 18.385 ( 9.228 20.350 -1.396) 22.388 20.051 ( -17.057 -21.572 16.096) 31.865 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 18.559 9.104 -5.144) 21.302 3.268 ( 11.389 13.659 7.799) 19.419 3.722 ( -7.241 -6.654 -4.009) 10.620 4.853 ( 20.249 24.565 -9.739) 33.291 5.089 ( 11.168 16.596 14.491) 24.701 6.151 ( 12.117 12.237 -0.060) 17.221 6.960 ( 23.374 12.774 -6.245) 27.359 8.412 ( -0.393 2.403 8.053) 8.413 8.955 ( 6.148 9.257 0.302) 11.117 9.150 ( 12.566 12.196 16.157) 23.826 10.691 ( 17.279 15.150 -21.424) 31.418 11.753 ( -13.170 -13.062 0.132) 18.550 13.681 ( 8.515 7.550 -24.446) 26.965 13.729 ( -8.642 -5.413 7.005) 12.372 16.520 ( -17.061 -6.359 -1.606) 18.278 18.032 ( 14.835 -11.420 -0.367) 18.725 18.723 ( 5.497 21.155 -0.863) 21.875 19.611 ( -16.238 -17.351 12.073) 26.655 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( 22.761 9.996 -9.377) 26.570 3.498 ( -7.872 -7.639 -2.474) 11.245 3.584 ( 7.650 14.697 0.873) 16.592 5.420 ( 18.643 16.471 0.297) 24.879 5.505 ( 15.015 18.080 7.940) 24.807 6.228 ( -1.192 -2.673 -0.545) 2.977 7.677 ( 33.402 22.494 -3.578) 40.429 8.380 ( -8.089 1.172 10.066) 12.967 9.161 ( 7.948 9.195 -6.775) 13.915 9.476 ( 8.042 2.899 10.315) 13.397 11.088 ( 16.633 11.388 -11.521) 23.218 11.425 ( -10.569 -3.707 -2.434) 11.461 13.538 ( -8.024 -6.354 11.540) 15.424 13.852 ( 9.339 7.499 -17.889) 21.528 16.120 ( -20.183 -7.373 -0.710) 21.500 18.168 ( 16.437 -16.108 -0.128) 23.014 18.975 ( -0.388 19.214 0.320) 19.221 19.229 ( -13.307 -12.384 6.504) 19.307 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( -6.600 -7.401 -2.247) 10.168 3.568 ( 16.015 4.409 -2.051) 16.737 3.896 ( 11.602 19.665 -6.491) 23.737 5.742 ( 7.110 5.531 9.544) 13.124 5.996 ( 13.429 6.120 -0.577) 14.769 6.228 ( 6.958 11.437 -2.656) 13.648 8.231 ( -11.892 -1.520 8.797) 14.870 8.432 ( 29.292 18.417 -0.001) 34.601 9.337 ( 7.247 0.703 -10.577) 12.841 9.537 ( -2.076 1.569 -1.884) 3.213 11.025 ( -11.766 -6.680 1.353) 13.597 11.687 ( 18.171 20.605 -4.901) 27.907 13.411 ( -4.855 -5.124 16.480) 17.928 14.052 ( 11.378 6.391 -12.216) 17.875 15.687 ( -20.360 -7.592 -0.531) 21.736 18.271 ( 16.304 -20.250 0.254) 25.999 18.879 ( -11.200 -9.286 2.167) 14.709 19.166 ( -4.537 19.019 0.411) 19.557 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( -3.774 -6.813 0.140) 7.790 3.773 ( 4.674 3.947 -0.247) 6.123 4.323 ( 15.897 17.943 -7.290) 25.056 5.848 ( 0.699 -1.431 4.860) 5.114 6.055 ( 1.783 -3.494 2.371) 4.584 6.699 ( 18.597 20.881 -2.173) 28.046 7.996 ( -13.847 -4.786 6.810) 16.156 9.003 ( 15.784 4.560 5.059) 17.190 9.261 ( -0.310 -2.428 -26.903) 27.014 9.593 ( 3.311 6.461 1.062) 7.337 10.794 ( -10.942 1.148 0.324) 11.007 12.146 ( 11.980 15.449 3.537) 19.867 13.379 ( -0.551 -3.126 18.151) 18.427 14.290 ( 12.626 5.366 -7.581) 15.675 15.281 ( -17.077 -6.837 -1.100) 18.428 18.328 ( 15.366 -23.321 0.656) 27.936 18.625 ( -8.188 -7.528 -1.533) 11.227 19.255 ( -8.061 20.041 0.825) 21.617 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 1.292 -4.614 0.748) 4.849 3.839 ( -1.323 4.269 -0.323) 4.481 4.685 ( 8.757 13.017 -5.543) 16.638 5.814 ( -2.314 -5.060 4.020) 6.864 6.051 ( 1.599 -3.747 2.324) 4.689 7.164 ( 12.462 14.772 -1.004) 19.352 7.729 ( -12.357 -3.377 4.430) 13.554 8.861 ( -11.106 -9.369 -11.226) 18.362 9.384 ( 9.966 -5.170 -10.128) 15.121 9.772 ( 5.780 13.251 -2.647) 14.697 10.690 ( -6.445 8.627 -0.996) 10.814 12.394 ( 1.459 6.592 9.997) 12.063 13.424 ( 0.666 -1.290 16.312) 16.376 14.529 ( 10.390 4.245 -3.489) 11.754 14.994 ( -7.150 -3.847 -3.212) 8.732 18.343 ( 12.643 -22.839 0.521) 26.110 18.444 ( -3.038 -7.184 -2.922) 8.329 19.295 ( -10.619 19.922 1.030) 22.599 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 0.000 2.116 21.212) 21.317 2.490 ( 0.000 18.522 23.559) 29.968 3.775 ( 0.000 13.659 17.720) 22.373 4.111 ( -0.000 23.924 -18.601) 30.304 4.664 ( -0.000 42.786 -7.065) 43.366 4.994 ( -0.000 10.701 -10.230) 14.804 6.766 ( 0.000 -7.008 1.686) 7.208 7.853 ( 0.000 0.115 6.247) 6.248 8.731 ( 0.000 14.230 13.542) 19.643 9.072 ( -0.000 4.976 -2.459) 5.550 9.804 ( -0.000 34.306 -24.623) 42.227 12.316 ( -0.000 -14.553 0.153) 14.554 13.248 ( -0.000 19.184 -25.655) 32.035 14.041 ( 0.000 -6.396 3.824) 7.452 16.934 ( -0.000 -4.086 -6.195) 7.422 17.989 ( 0.000 7.927 0.073) 7.928 17.993 ( 0.000 13.349 -0.803) 13.373 20.393 ( 0.000 -29.407 15.796) 33.380 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 4.675 5.132 10.386) 12.493 2.833 ( 10.396 15.989 17.352) 25.784 3.868 ( -1.250 -0.786 1.964) 2.457 4.379 ( 7.147 28.244 -15.826) 33.155 4.924 ( -0.763 18.955 5.201) 19.670 5.450 ( 16.025 46.924 -8.656) 50.335 6.697 ( -1.016 -4.351 0.515) 4.497 8.030 ( 14.290 3.163 9.597) 17.501 8.897 ( -1.925 10.415 18.822) 21.597 9.067 ( -3.346 10.203 -5.289) 11.970 10.166 ( 11.377 26.825 -23.650) 37.528 12.101 ( -6.373 -16.459 0.185) 17.650 13.398 ( 6.430 13.551 -25.064) 29.209 13.959 ( -3.620 -5.869 3.495) 7.731 16.847 ( -0.798 -9.336 -4.356) 10.333 17.884 ( -8.981 4.923 0.180) 10.243 18.370 ( 14.081 17.777 -0.935) 22.697 20.075 ( -8.326 -27.230 14.819) 32.100 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 10.833 11.146 -1.022) 15.577 3.229 ( 12.122 13.909 9.579) 20.788 3.753 ( -5.702 -7.083 -3.867) 9.881 4.808 ( 13.261 29.457 -11.100) 34.158 5.187 ( 4.612 20.533 10.708) 23.612 6.095 ( 11.928 19.841 -0.706) 23.161 6.766 ( 11.263 15.776 -6.133) 20.331 8.374 ( 12.943 5.336 10.523) 17.514 8.983 ( -0.043 4.544 9.931) 10.922 9.197 ( 3.116 14.190 4.791) 15.298 10.543 ( 12.645 22.026 -21.065) 32.997 11.798 ( -9.032 -15.849 0.254) 18.244 13.555 ( 7.022 8.378 -19.861) 22.671 13.829 ( -6.411 -4.067 2.774) 8.083 16.671 ( -7.440 -10.097 -2.274) 12.746 17.805 ( -0.870 -3.027 0.076) 3.151 18.780 ( 11.316 19.098 -0.707) 22.210 19.688 ( -11.506 -22.915 11.643) 28.161 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 16.746 15.415 -6.590) 23.695 3.534 ( -5.283 -6.478 -2.719) 8.790 3.586 ( 7.751 11.453 2.510) 14.055 5.321 ( 15.671 25.590 -5.376) 30.484 5.528 ( 8.000 18.264 10.700) 22.629 6.199 ( -0.331 -4.701 0.354) 4.726 7.391 ( 27.271 31.574 -5.466) 42.078 8.551 ( -2.795 4.299 12.006) 13.055 9.085 ( 6.213 1.866 -3.327) 7.290 9.427 ( 6.120 8.077 7.576) 12.653 10.943 ( 14.596 21.840 -12.486) 29.085 11.507 ( -7.808 -10.287 -1.087) 12.961 13.615 ( -3.404 -4.995 4.582) 7.585 13.758 ( 3.171 7.512 -13.634) 15.886 16.372 ( -15.527 -8.371 -0.748) 17.656 17.792 ( 7.450 -11.714 -0.090) 13.883 19.118 ( 5.726 17.646 0.267) 18.553 19.312 ( -10.983 -17.605 6.785) 21.831 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( -2.259 -2.098 -4.909) 5.797 3.358 ( 12.830 7.433 -0.845) 14.852 3.888 ( 9.126 15.718 -3.021) 18.425 5.719 ( 7.420 11.104 5.041) 14.275 5.911 ( 9.115 14.939 2.959) 17.748 6.175 ( 6.433 2.473 -1.979) 7.171 8.156 ( 27.066 26.621 -1.992) 38.016 8.470 ( -12.132 -0.261 11.775) 16.908 9.168 ( 6.407 -4.154 -12.218) 14.408 9.572 ( 1.571 4.748 1.972) 5.376 11.157 ( -7.242 -0.336 3.106) 7.887 11.577 ( 17.157 20.661 -7.407) 27.859 13.485 ( -5.521 -6.675 11.405) 14.322 13.908 ( 8.412 7.351 -11.532) 16.056 15.980 ( -20.256 -6.706 -0.125) 21.338 17.812 ( 12.103 -18.808 0.142) 22.367 18.961 ( -10.561 -13.854 3.102) 17.695 19.377 ( 1.601 17.360 -0.024) 17.434 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( -5.075 -10.041 0.172) 11.252 3.729 ( 9.694 12.334 1.121) 15.728 4.229 ( 13.401 17.860 -7.555) 23.572 5.848 ( -0.528 0.885 2.269) 2.492 6.001 ( 1.868 -2.311 4.339) 5.259 6.591 ( 18.542 21.001 -1.374) 28.048 8.223 ( -14.866 -6.685 10.258) 19.259 8.808 ( 18.969 19.843 -2.561) 27.570 9.130 ( 2.123 -6.135 -20.529) 21.531 9.621 ( 0.306 2.699 3.207) 4.203 11.019 ( -9.974 5.814 1.558) 11.649 12.097 ( 15.922 20.533 0.411) 25.986 13.392 ( -1.355 -6.935 13.187) 14.961 14.113 ( 10.884 6.016 -7.007) 14.274 15.556 ( -21.122 -5.382 -0.206) 21.798 17.828 ( 14.118 -23.878 0.655) 27.747 18.679 ( -8.437 -10.252 -0.582) 13.290 19.540 ( -2.781 17.169 0.365) 17.397 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -0.492 -9.045 0.856) 9.099 3.932 ( 0.165 11.358 2.688) 11.673 4.629 ( 13.411 16.768 -6.820) 22.529 5.805 ( -1.972 -3.964 1.869) 4.806 5.998 ( 0.095 -5.236 2.888) 5.981 7.089 ( 15.223 17.036 -0.186) 22.847 7.930 ( -13.049 -5.537 7.103) 15.856 8.892 ( -7.022 -7.217 -12.714) 16.219 9.212 ( 5.563 6.347 -14.055) 16.394 9.745 ( 8.893 7.047 3.978) 12.024 10.955 ( -9.701 14.486 0.087) 17.434 12.459 ( 5.141 10.199 8.737) 14.380 13.396 ( 4.125 -4.742 10.209) 11.989 14.358 ( 12.453 5.573 -3.656) 14.124 15.165 ( -17.494 -3.805 -1.085) 17.936 17.829 ( 15.102 -26.829 1.207) 30.811 18.465 ( -5.768 -6.663 -2.718) 9.222 19.630 ( -6.354 16.685 0.585) 17.864 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 0.000 9.622 7.744) 12.352 2.947 ( 0.000 14.867 14.855) 21.017 3.853 ( -0.000 -4.930 -2.868) 5.704 4.560 ( -0.000 30.638 -14.529) 33.908 5.131 ( 0.000 19.854 2.318) 19.989 5.777 ( 0.000 43.586 -5.087) 43.882 6.724 ( 0.000 6.909 0.934) 6.971 7.967 ( 0.000 5.259 11.554) 12.694 9.096 ( 0.000 10.526 20.708) 23.230 9.124 ( -0.000 3.053 -6.307) 7.007 10.295 ( -0.000 30.857 -23.440) 38.751 11.984 ( -0.000 -18.268 0.115) 18.268 13.396 ( -0.000 11.550 -19.833) 22.951 13.948 ( 0.000 -4.157 0.969) 4.269 16.702 ( -0.000 -14.939 -3.849) 15.427 18.167 ( 0.000 9.456 0.221) 9.459 18.311 ( 0.000 16.995 -0.559) 17.004 19.909 ( 0.000 -27.945 13.402) 30.992 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 3.785 16.009 1.744) 16.542 3.209 ( 8.549 12.989 10.281) 18.642 3.748 ( -3.435 -7.383 -4.966) 9.538 4.897 ( 7.315 31.305 -11.224) 34.052 5.360 ( 2.307 20.183 3.396) 20.597 6.124 ( 4.357 12.132 1.190) 12.945 6.889 ( 0.573 32.065 -4.825) 32.431 8.210 ( 14.459 6.830 12.665) 20.399 9.082 ( -3.944 1.933 1.199) 4.553 9.288 ( 2.903 8.695 11.917) 15.035 10.576 ( 5.462 28.640 -19.934) 35.320 11.752 ( -4.874 -18.011 0.174) 18.659 13.487 ( 4.186 8.866 -13.352) 16.566 13.884 ( -3.375 -2.326 -1.973) 4.549 16.547 ( 1.922 -17.537 -2.787) 17.860 18.015 ( -17.188 7.325 0.362) 18.688 18.710 ( 16.375 15.839 -0.349) 22.785 19.628 ( -5.490 -25.279 10.921) 28.079 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 9.105 20.805 -3.149) 22.927 3.520 ( 5.756 5.096 2.483) 8.079 3.580 ( -1.174 -1.568 -1.163) 2.278 5.338 ( 11.426 28.166 -6.761) 31.138 5.629 ( 5.073 18.116 5.192) 19.517 6.168 ( -1.283 -4.492 1.990) 5.078 7.374 ( 13.448 39.451 -4.829) 41.959 8.570 ( 11.919 6.192 11.249) 17.520 9.021 ( -2.865 -4.204 0.907) 5.168 9.454 ( 3.657 7.709 5.298) 10.043 10.942 ( 10.263 28.902 -12.494) 33.117 11.495 ( -5.253 -14.194 -0.044) 15.135 13.599 ( 2.676 3.228 -1.818) 4.570 13.791 ( -3.502 2.031 -8.388) 9.314 16.383 ( -0.681 -17.225 -1.430) 17.298 17.786 ( -13.319 0.595 0.302) 13.335 19.121 ( 12.932 15.059 -0.192) 19.850 19.304 ( -8.061 -21.222 7.481) 23.903 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( 13.613 20.257 -3.193) 24.614 3.329 ( -7.564 -8.129 -2.972) 11.495 3.863 ( 9.980 12.951 1.186) 16.394 5.733 ( 7.575 14.596 1.356) 16.500 5.967 ( 8.967 22.586 2.269) 24.407 6.083 ( -0.177 -4.961 -1.026) 5.069 8.036 ( 20.500 33.148 -0.844) 38.984 8.700 ( -9.210 0.298 14.519) 17.196 8.944 ( 7.294 -9.241 -10.449) 15.741 9.594 ( 2.744 5.932 0.903) 6.598 11.286 ( -5.055 -0.532 3.016) 5.911 11.459 ( 16.946 23.416 -7.874) 29.958 13.547 ( -5.940 -5.897 5.920) 10.252 13.840 ( 4.780 8.669 -10.027) 14.091 16.153 ( -8.078 -13.412 -0.311) 15.660 17.584 ( -5.044 -8.846 0.116) 10.183 18.985 ( -8.561 -16.747 3.873) 19.203 19.450 ( 8.205 14.162 -0.068) 16.368 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( -6.764 -11.705 -0.132) 13.520 3.702 ( 13.065 21.923 -0.422) 25.524 4.163 ( 10.335 13.784 -3.450) 17.570 5.898 ( -0.323 3.973 1.830) 4.386 5.976 ( -1.195 -3.332 2.169) 4.152 6.478 ( 17.375 21.984 -0.770) 28.032 8.413 ( -13.001 -11.748 12.175) 21.337 8.729 ( 18.302 29.482 -5.593) 35.149 8.963 ( 4.054 -4.614 -11.283) 12.846 9.645 ( -0.829 -0.129 1.478) 1.699 11.227 ( -4.304 6.811 1.257) 8.155 12.010 ( 17.776 23.211 -1.296) 29.264 13.391 ( -4.773 -8.900 6.101) 11.799 14.006 ( 7.227 8.078 -4.774) 11.844 15.838 ( -15.701 -7.717 0.057) 17.495 17.436 ( 3.584 -18.623 0.312) 18.967 18.705 ( -7.621 -12.369 0.658) 14.543 19.690 ( 3.446 13.583 0.110) 14.014 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -3.472 -11.313 0.671) 11.853 4.068 ( 3.567 19.034 4.861) 19.966 4.508 ( 15.384 14.668 -7.057) 22.397 5.838 ( -4.608 -1.773 0.285) 4.946 5.958 ( -0.269 -5.125 2.506) 5.711 6.974 ( 16.259 16.317 0.103) 23.035 8.091 ( -11.474 -9.860 6.681) 16.538 8.889 ( -3.433 -3.929 -11.578) 12.699 9.223 ( 5.100 21.025 -11.179) 24.352 9.648 ( 6.967 -1.444 7.039) 10.009 11.267 ( -6.202 17.014 0.643) 18.120 12.457 ( 10.475 12.420 5.000) 17.000 13.276 ( 1.995 -10.642 4.291) 11.646 14.223 ( 9.610 8.221 -1.852) 12.781 15.476 ( -19.695 -1.991 -0.298) 19.798 17.334 ( 10.133 -25.802 0.868) 27.733 18.484 ( -5.751 -8.146 -1.480) 10.080 19.844 ( -0.899 12.960 0.259) 12.994 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 0.000 21.355 2.498) 21.500 3.283 ( 0.000 11.561 8.612) 14.416 3.687 ( -0.000 -7.467 -5.778) 9.442 5.118 ( -0.000 32.162 -9.508) 33.538 5.534 ( 0.000 18.281 -0.931) 18.305 6.164 ( 0.000 1.250 3.334) 3.561 7.267 ( 0.000 42.030 -5.145) 42.344 8.176 ( 0.000 6.267 13.086) 14.510 9.128 ( -0.000 2.748 -7.865) 8.331 9.370 ( 0.000 2.839 19.534) 19.739 10.772 ( -0.000 30.514 -16.615) 34.744 11.605 ( -0.000 -19.322 -0.047) 19.322 13.513 ( -0.000 9.669 -6.529) 11.667 13.884 ( -0.000 -0.852 -6.391) 6.448 16.323 ( -0.000 -20.242 -2.583) 20.406 18.359 ( 0.000 9.289 0.286) 9.294 18.615 ( 0.000 12.892 -0.023) 12.892 19.456 ( 0.000 -24.407 9.473) 26.181 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 2.265 23.721 0.897) 23.846 3.484 ( 5.807 7.047 4.617) 10.232 3.573 ( -1.393 -3.099 -3.694) 5.019 5.456 ( 5.059 29.179 -6.322) 30.282 5.730 ( 3.838 15.801 -0.903) 16.286 6.161 ( -0.717 -2.712 2.853) 4.002 7.655 ( 0.360 39.720 -2.908) 39.828 8.403 ( 13.617 3.346 8.619) 16.459 9.089 ( -5.684 0.618 -0.724) 5.763 9.463 ( 3.370 1.304 9.585) 10.243 11.075 ( 4.775 30.645 -11.033) 32.918 11.400 ( -1.407 -16.545 0.221) 16.606 13.615 ( 1.329 7.732 0.932) 7.900 13.832 ( -2.431 1.526 -11.191) 11.553 16.138 ( 3.277 -21.368 -1.826) 21.695 18.160 ( -22.123 6.623 0.326) 23.096 18.978 ( 17.733 10.534 -0.141) 20.626 19.218 ( -3.698 -20.866 7.293) 22.411 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( 3.613 8.072 -0.194) 8.846 3.403 ( -3.349 7.348 -5.115) 9.559 3.817 ( 10.599 12.399 4.617) 16.953 5.754 ( 4.951 12.245 -0.130) 13.209 6.002 ( 6.637 15.401 -3.618) 17.156 6.132 ( -0.988 6.734 1.702) 7.016 8.106 ( 10.240 32.849 2.473) 34.497 8.654 ( 12.187 -4.947 -4.498) 13.900 8.919 ( -11.844 -4.148 10.773) 16.539 9.586 ( 4.868 4.326 0.460) 6.529 11.227 ( 2.224 -10.276 -3.010) 10.936 11.520 ( 9.218 30.932 -2.117) 32.345 13.615 ( -5.783 -2.996 0.693) 6.550 13.846 ( 2.132 10.111 -7.925) 13.022 15.987 ( 3.939 -21.045 -0.795) 21.425 17.812 ( -22.203 1.466 0.122) 22.251 18.948 ( -5.585 -17.716 4.395) 19.089 19.377 ( 14.398 10.452 0.030) 17.791 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( -7.099 -11.392 -0.849) 13.450 3.716 ( 11.508 24.303 -3.436) 27.109 4.132 ( 8.760 13.587 3.181) 16.476 5.889 ( 3.708 -0.113 3.079) 4.821 6.005 ( -3.758 -0.605 -3.264) 5.014 6.476 ( 10.459 26.195 -0.369) 28.208 8.477 ( -6.038 -16.854 2.014) 18.015 8.702 ( 14.876 27.099 -3.598) 31.122 8.873 ( 1.718 0.501 7.863) 8.064 9.661 ( -0.484 0.866 -1.855) 2.103 11.239 ( 6.955 -0.347 -1.269) 7.078 12.006 ( 11.540 27.929 -0.453) 30.223 13.430 ( -8.210 -7.228 -1.802) 11.086 13.992 ( 3.918 10.361 -1.882) 11.236 15.838 ( 1.093 -17.538 -0.027) 17.572 17.438 ( -18.000 -5.992 -0.136) 18.972 18.699 ( -6.068 -13.391 1.939) 14.829 19.690 ( 9.991 9.847 -0.056) 14.028 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( -6.420 -11.120 -0.000) 12.840 4.167 ( 12.932 22.398 -0.000) 25.863 4.408 ( 7.565 13.103 0.000) 15.130 5.899 ( -2.808 -4.864 0.000) 5.617 5.918 ( -1.323 -2.292 -0.000) 2.647 6.905 ( 11.159 19.328 -0.000) 22.318 8.156 ( -7.878 -13.645 -0.000) 15.755 8.875 ( -1.229 -2.129 0.000) 2.459 9.299 ( 16.417 28.435 -0.000) 32.834 9.568 ( -4.307 -7.460 0.000) 8.614 11.428 ( 6.662 11.539 -0.000) 13.324 12.421 ( 9.523 16.494 -0.000) 19.046 13.202 ( -6.399 -11.083 -0.000) 12.798 14.179 ( 6.109 10.582 -0.000) 12.219 15.673 ( -4.941 -8.558 -0.000) 9.882 17.084 ( -9.388 -16.260 -0.000) 18.776 18.491 ( -5.191 -8.991 -0.000) 10.382 19.918 ( 5.299 9.179 -0.000) 10.598 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 0.000 17.766 3.620) 18.131 3.528 ( 0.000 8.677 5.038) 10.034 3.547 ( -0.000 2.420 -5.531) 6.038 5.710 ( 0.000 31.457 -4.713) 31.808 5.810 ( -0.000 9.725 -2.164) 9.963 6.151 ( 0.000 -1.537 1.203) 1.952 8.052 ( 0.000 36.644 -1.277) 36.666 8.295 ( 0.000 -2.448 5.891) 6.379 9.193 ( -0.000 8.299 -2.389) 8.636 9.430 ( 0.000 -6.732 11.812) 13.595 11.224 ( -0.000 -18.245 -0.493) 18.252 11.318 ( -0.000 31.190 -7.160) 32.002 13.699 ( 0.000 6.704 3.513) 7.568 13.838 ( -0.000 5.397 -13.510) 14.548 15.883 ( -0.000 -21.959 -1.639) 22.020 18.534 ( 0.000 7.868 0.263) 7.872 18.807 ( 0.000 5.697 -0.080) 5.698 19.070 ( 0.000 -18.354 6.198) 19.372 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( -1.739 -3.885 0.028) 4.257 3.563 ( -2.510 15.191 -1.834) 15.506 3.793 ( 9.584 16.728 4.495) 19.796 5.831 ( -2.278 6.812 0.333) 7.191 6.059 ( 1.770 14.300 -5.855) 15.553 6.190 ( 6.058 13.162 0.596) 14.502 8.270 ( 3.191 5.393 4.189) 7.537 8.464 ( 6.391 16.853 -2.306) 18.171 9.129 ( -11.749 -1.450 9.360) 15.091 9.505 ( 8.359 1.821 1.388) 8.667 11.058 ( 1.793 -14.495 -1.776) 14.713 11.672 ( 7.009 29.713 -2.828) 30.659 13.676 ( -4.331 -1.719 -7.882) 9.156 13.922 ( 0.633 13.443 -1.725) 13.568 15.691 ( 3.519 -21.928 -0.911) 22.227 18.274 ( -25.468 4.418 -0.020) 25.848 18.856 ( -1.995 -16.462 4.477) 17.176 19.169 ( 18.797 6.341 0.043) 19.838 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( -6.139 -9.071 -1.159) 11.014 3.750 ( 6.728 15.646 -3.480) 17.383 4.162 ( 8.717 19.810 6.495) 22.597 5.847 ( 0.401 -0.751 2.025) 2.197 6.052 ( -3.199 0.783 -5.815) 6.683 6.584 ( 9.127 26.778 0.036) 28.291 8.302 ( 3.749 -16.326 -5.646) 17.676 8.775 ( 6.751 25.470 3.979) 26.648 8.951 ( -6.831 -4.845 16.107) 18.154 9.653 ( 3.331 3.687 -3.340) 5.987 11.036 ( 9.874 -6.472 -1.984) 11.972 12.105 ( 9.772 26.379 -1.169) 28.155 13.505 ( -8.251 -3.858 -9.951) 13.490 14.068 ( 0.643 12.940 1.859) 13.089 15.555 ( 5.889 -21.269 -0.074) 22.070 17.833 ( -27.668 0.581 -0.474) 27.678 18.661 ( -4.049 -13.149 3.024) 14.087 19.543 ( 16.186 6.318 -0.268) 17.378 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( -0.000 -6.646 -0.649) 6.678 3.696 ( 0.000 5.540 3.092) 6.344 3.934 ( 0.000 26.956 1.877) 27.022 5.901 ( -0.000 1.158 -0.416) 1.230 6.139 ( -0.000 0.729 -4.340) 4.401 6.307 ( 0.000 29.644 -0.863) 29.657 8.150 ( -0.000 -11.802 -2.144) 11.995 8.710 ( 0.000 26.694 9.418) 28.306 9.286 ( 0.000 -11.446 4.134) 12.170 9.407 ( 0.000 10.981 3.021) 11.389 10.882 ( -0.000 -15.062 -0.831) 15.084 11.878 ( 0.000 26.310 -2.868) 26.466 13.659 ( -0.000 -1.781 -15.336) 15.439 14.072 ( 0.000 15.464 3.802) 15.924 15.445 ( -0.000 -20.562 -0.389) 20.566 18.671 ( 0.000 5.613 0.197) 5.617 18.716 ( 0.000 -13.149 3.832) 13.696 18.941 ( -0.000 1.043 -0.298) 1.084 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( -3.892 -6.365 -0.926) 7.517 3.770 ( 2.663 5.981 0.330) 6.555 4.264 ( 6.499 23.347 4.860) 24.717 5.872 ( -2.667 -0.686 -0.075) 2.755 6.094 ( -3.179 0.019 -5.674) 6.504 6.686 ( 8.938 26.671 0.525) 28.134 8.052 ( 4.104 -14.909 -4.579) 16.128 8.984 ( 0.707 15.520 20.232) 25.509 9.069 ( -10.015 -4.310 1.485) 11.004 9.606 ( 6.701 7.197 -1.616) 9.966 10.800 ( 6.712 -9.604 -0.909) 11.753 12.177 ( 7.582 20.710 -3.065) 22.266 13.548 ( -4.427 -1.769 -16.833) 17.495 14.230 ( -1.259 14.775 4.839) 15.598 15.273 ( 2.763 -18.908 0.550) 19.117 18.334 ( -27.533 1.814 -0.537) 27.598 18.600 ( -2.236 -11.518 3.631) 12.282 19.262 ( 21.182 3.217 -0.672) 21.435 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( -0.000 -3.819 -0.713) 3.885 3.788 ( 0.000 1.965 2.076) 2.858 4.437 ( 0.000 19.849 4.117) 20.271 5.884 ( -0.000 -1.755 -2.833) 3.333 6.107 ( -0.000 -0.875 -4.002) 4.097 6.864 ( 0.000 25.116 1.178) 25.143 7.854 ( -0.000 -14.830 -3.582) 15.257 9.005 ( 0.000 -15.803 17.231) 23.381 9.313 ( 0.000 22.836 3.175) 23.055 9.591 ( 0.000 4.468 1.347) 4.667 10.643 ( -0.000 -7.587 0.257) 7.592 12.267 ( -0.000 13.652 -5.088) 14.570 13.512 ( -0.000 -1.084 -19.869) 19.898 14.406 ( 0.000 13.845 5.001) 14.721 15.091 ( -0.000 -13.954 2.024) 14.100 18.509 ( 0.000 -9.378 3.863) 10.142 18.758 ( 0.000 2.857 0.138) 2.860 18.945 ( -0.000 -0.096 -1.915) 1.917 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.000 -0.000 36.548) 36.548 1.880 ( 0.000 -0.000 36.548) 36.548 2.999 ( 0.000 -0.000 57.558) 57.558 3.655 ( -0.000 0.000 -21.366) 21.366 3.655 ( -0.000 0.000 -21.366) 21.366 5.587 ( -0.000 0.000 -29.111) 29.111 6.966 ( -0.000 0.000 -0.977) 0.977 7.996 ( -0.000 -0.000 -2.425) 2.425 7.996 ( 0.000 0.000 -2.425) 2.425 8.854 ( 0.000 -0.000 3.748) 3.748 8.854 ( 0.000 0.000 3.748) 3.748 12.631 ( 0.000 -0.000 0.188) 0.188 12.631 ( 0.000 -0.000 0.188) 0.188 14.186 ( 0.000 -0.000 3.649) 3.649 16.842 ( -0.000 0.000 -9.374) 9.374 17.816 ( -0.000 0.000 -0.143) 0.143 17.816 ( -0.000 0.000 -0.143) 0.143 21.146 ( 0.000 -0.000 4.220) 4.220 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 8.277 4.778 31.403) 32.825 2.180 ( 14.339 8.279 31.989) 36.021 3.349 ( 14.925 8.617 46.296) 49.399 3.677 ( 8.893 5.135 -21.207) 23.563 3.887 ( 23.738 13.705 -21.078) 34.578 5.179 ( -18.819 -10.865 -17.869) 28.134 6.921 ( -2.782 -1.606 0.148) 3.216 8.118 ( 10.908 6.298 1.701) 12.710 8.131 ( 6.711 3.874 -5.208) 9.336 8.785 ( -2.754 -1.590 6.007) 6.797 9.308 ( 29.350 16.945 -11.678) 35.846 12.549 ( -7.021 -4.054 0.141) 8.108 12.844 ( 16.414 9.477 -10.497) 21.666 14.154 ( -3.662 -2.114 3.442) 5.452 16.883 ( 4.131 2.385 -7.960) 9.280 17.839 ( 3.304 1.908 -0.321) 3.829 17.866 ( 4.145 2.393 -0.160) 4.789 20.930 ( -18.180 -10.496 8.787) 22.757 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 4.385 2.532 16.741) 17.490 2.656 ( 17.527 10.119 22.526) 30.282 3.796 ( 9.058 5.230 20.084) 22.644 3.932 ( 18.582 10.728 -17.391) 27.620 4.479 ( 22.024 12.716 -8.936) 26.955 4.993 ( 17.148 9.900 -6.433) 20.820 6.854 ( -2.755 -1.590 0.075) 3.182 8.267 ( 6.539 3.775 -6.491) 9.957 8.466 ( 17.271 9.971 13.547) 24.109 8.769 ( -0.337 -0.195 7.044) 7.055 9.904 ( 25.259 14.584 -20.765) 35.804 12.319 ( -12.580 -7.263 0.075) 14.526 13.184 ( 15.984 9.229 -21.363) 28.232 14.042 ( -6.898 -3.982 3.498) 8.699 16.874 ( -4.571 -2.639 -4.475) 6.919 17.997 ( 6.995 4.039 -0.147) 8.079 18.019 ( 12.423 7.172 -1.615) 14.436 20.463 ( -23.651 -13.655 12.506) 30.037 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 11.270 6.507 0.124) 13.014 3.078 ( 13.995 8.080 11.207) 19.665 3.818 ( -6.449 -3.724 -1.362) 7.571 4.412 ( 26.104 15.071 -10.094) 31.788 4.859 ( 16.589 9.578 11.997) 22.602 5.766 ( 36.059 20.818 -3.159) 41.756 6.840 ( 4.570 2.638 -2.818) 5.982 8.374 ( 3.525 2.035 -3.394) 5.300 8.825 ( 4.002 2.311 3.971) 6.093 8.971 ( 20.035 11.567 21.844) 31.818 10.351 ( 20.424 11.792 -22.469) 32.573 11.986 ( -15.928 -9.196 0.058) 18.392 13.438 ( 12.483 7.207 -21.936) 26.248 13.869 ( -8.866 -5.119 5.160) 11.465 16.651 ( -13.124 -7.577 -1.707) 15.250 18.176 ( 8.227 4.750 -0.129) 9.501 18.341 ( 14.458 8.347 -1.840) 16.796 19.960 ( -22.665 -13.086 10.931) 28.362 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 20.361 11.755 -9.195) 25.245 3.378 ( 10.292 5.942 3.229) 12.315 3.622 ( -8.849 -5.109 -1.943) 10.401 5.033 ( 28.855 16.659 -4.668) 33.644 5.294 ( 16.222 9.366 13.627) 23.164 6.231 ( 4.221 2.437 -0.542) 4.904 7.261 ( 32.207 18.595 -3.577) 37.362 8.390 ( -2.070 -1.195 2.609) 3.538 8.984 ( 9.134 5.274 -1.798) 10.700 9.428 ( 11.848 6.841 16.123) 21.145 10.765 ( 22.356 12.907 -17.338) 31.097 11.601 ( -17.050 -9.844 0.172) 19.689 13.646 ( 10.729 6.194 -17.184) 21.184 13.687 ( -7.753 -4.476 8.672) 12.464 16.289 ( -17.330 -10.006 -0.499) 20.018 18.365 ( 8.031 4.637 -0.123) 9.275 18.629 ( 10.368 5.986 -0.864) 12.003 19.499 ( -19.501 -11.259 6.709) 23.496 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( 7.819 4.514 -10.879) 14.137 3.483 ( 8.544 4.933 0.753) 9.894 3.585 ( 7.412 4.280 -0.542) 8.576 5.658 ( 11.250 6.495 11.832) 17.571 5.686 ( 28.315 16.348 -2.414) 32.785 6.196 ( -3.706 -2.140 -2.142) 4.785 8.052 ( 33.873 19.557 -0.716) 39.120 8.299 ( -6.846 -3.953 5.500) 9.630 9.213 ( 11.037 6.372 -4.379) 13.476 9.558 ( -2.529 -1.460 -0.645) 2.991 11.215 ( -16.131 -9.313 0.426) 18.632 11.296 ( 25.959 14.987 -5.931) 30.556 13.549 ( -6.200 -3.580 14.297) 15.990 13.873 ( 12.266 7.082 -12.531) 18.911 15.868 ( -18.679 -10.784 -0.153) 21.569 18.538 ( 6.791 3.921 -0.131) 7.842 18.804 ( 4.593 2.652 0.274) 5.310 19.111 ( -14.969 -8.642 2.085) 17.410 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( -6.579 -3.798 -0.456) 7.610 3.720 ( 4.671 2.697 -1.906) 5.720 3.970 ( 23.558 13.601 -5.699) 27.793 5.863 ( 3.369 1.945 7.086) 8.083 6.119 ( -1.789 -1.033 0.277) 2.084 6.311 ( 26.053 15.042 -1.668) 30.129 8.114 ( -10.569 -6.102 5.358) 13.329 8.766 ( 27.817 16.060 -1.938) 32.178 9.359 ( -11.635 -6.718 -11.218) 17.503 9.441 ( 9.304 5.372 -3.874) 11.421 10.875 ( -12.980 -7.494 0.525) 14.998 11.858 ( 21.981 12.691 1.056) 25.404 13.494 ( -3.198 -1.846 18.588) 18.951 14.133 ( 13.006 7.509 -8.473) 17.243 15.445 ( -17.367 -10.027 -0.446) 20.059 18.673 ( 4.849 2.799 -0.142) 5.601 18.741 ( -10.260 -5.924 -1.488) 11.940 18.934 ( -0.005 -0.003 1.007) 1.007 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.000 4.865 31.293) 31.669 2.248 ( 0.000 13.084 31.395) 34.013 3.520 ( 0.000 17.160 44.902) 48.069 3.662 ( -0.000 13.783 -22.364) 26.270 3.790 ( -0.000 28.887 -20.847) 35.624 5.124 ( -0.000 -18.224 -21.405) 28.112 6.903 ( -0.000 -5.318 0.444) 5.337 7.896 ( 0.000 -2.877 2.393) 3.742 8.365 ( 0.000 24.474 -2.840) 24.639 8.968 ( 0.000 4.844 -0.099) 4.845 9.104 ( -0.000 24.941 -7.332) 25.997 12.548 ( -0.000 -8.179 0.165) 8.181 12.813 ( -0.000 16.114 -8.423) 18.183 14.165 ( 0.000 -4.206 3.293) 5.341 16.867 ( -0.000 6.219 -7.626) 9.841 17.836 ( 0.000 2.901 -0.152) 2.905 17.861 ( 0.000 4.584 -0.025) 4.584 20.952 ( 0.000 -20.443 7.671) 21.835 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 1.995 -2.209 21.085) 21.294 2.596 ( 11.557 13.649 24.407) 30.259 3.804 ( 5.449 15.092 -2.872) 16.300 3.838 ( 5.597 14.128 4.591) 15.875 4.313 ( 19.119 40.593 -7.919) 45.564 4.903 ( 0.439 0.033 -12.278) 12.286 6.835 ( -0.992 -6.710 0.743) 6.824 8.026 ( 13.747 -0.622 4.396) 14.446 8.589 ( -0.352 23.653 2.808) 23.821 8.890 ( -7.352 6.200 3.289) 10.164 9.601 ( 21.752 21.653 -17.854) 35.507 12.388 ( -6.659 -11.704 0.117) 13.466 13.030 ( 9.016 14.953 -15.288) 23.209 14.095 ( -3.484 -5.622 3.119) 7.312 16.902 ( -0.472 1.673 -5.386) 5.660 17.835 ( 0.869 0.197 -0.059) 0.893 18.042 ( 8.334 13.575 -0.603) 15.940 20.634 ( -12.659 -23.161 9.962) 28.213 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 5.758 0.289 5.886) 8.239 3.000 ( 11.988 12.114 13.265) 21.597 3.865 ( -3.931 -4.346 0.741) 5.907 4.213 ( 16.462 25.154 -11.907) 32.334 4.818 ( 8.281 19.338 8.780) 22.795 5.420 ( 32.455 34.900 -6.039) 48.039 6.757 ( 1.221 -6.454 -1.439) 6.724 8.294 ( 10.833 4.884 1.209) 11.944 8.867 ( 0.701 10.492 0.212) 10.518 8.913 ( 6.446 13.810 18.886) 24.269 10.082 ( 18.712 17.192 -21.430) 33.241 12.103 ( -10.989 -13.774 0.090) 17.621 13.276 ( 9.725 11.548 -17.790) 23.333 13.959 ( -6.281 -6.172 3.701) 9.552 16.796 ( -9.318 -3.793 -2.306) 10.321 17.898 ( 9.523 -5.675 -0.415) 11.093 18.373 ( 9.103 20.474 -1.055) 22.432 20.173 ( -17.319 -21.227 9.462) 28.984 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 15.079 7.556 -4.803) 17.537 3.325 ( 8.816 11.791 3.793) 15.203 3.694 ( -7.230 -6.950 -1.812) 10.191 4.782 ( 22.097 24.954 -4.874) 33.686 5.216 ( 12.069 16.526 11.830) 23.638 6.149 ( 13.092 13.414 -0.444) 18.749 6.907 ( 23.316 11.507 -4.691) 26.421 8.455 ( 0.069 7.413 0.283) 7.418 8.952 ( 2.513 7.277 1.092) 7.776 9.321 ( 13.715 8.222 16.973) 23.319 10.499 ( 18.808 17.128 -17.574) 30.919 11.754 ( -13.235 -13.105 0.063) 18.626 13.490 ( 9.465 9.309 -15.007) 20.037 13.793 ( -7.181 -5.858 5.879) 10.975 16.510 ( -16.625 -6.250 -0.467) 17.767 18.028 ( 14.866 -11.313 -0.467) 18.686 18.716 ( 5.652 21.536 -0.715) 22.277 19.698 ( -17.353 -17.815 6.210) 25.633 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( 21.349 11.004 -8.082) 25.341 3.489 ( -5.932 -6.645 0.403) 8.917 3.584 ( 5.615 12.468 -0.998) 13.711 5.403 ( 22.964 20.285 -1.032) 30.657 5.607 ( 11.313 13.687 10.599) 20.679 6.215 ( -1.866 -2.796 -2.082) 3.954 7.650 ( 34.728 22.333 -2.001) 41.337 8.451 ( -7.882 4.568 4.516) 10.168 9.106 ( 7.171 6.311 -4.355) 10.499 9.545 ( 3.221 -0.563 3.471) 4.769 11.005 ( 21.876 17.513 -4.990) 28.464 11.410 ( -12.620 -7.048 -0.998) 14.489 13.642 ( -4.700 -5.049 10.105) 12.235 13.713 ( 9.605 7.911 -10.934) 16.565 16.117 ( -20.135 -7.370 0.197) 21.443 18.166 ( 16.569 -15.990 -0.227) 23.027 18.977 ( 0.021 20.054 0.055) 20.054 19.270 ( -14.822 -13.540 1.970) 20.172 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( -4.606 -5.547 -1.464) 7.358 3.556 ( 16.284 5.068 -0.394) 17.059 3.840 ( 9.716 18.013 -5.304) 21.142 5.812 ( 7.673 3.654 4.666) 9.696 6.010 ( 12.341 7.640 3.619) 14.959 6.205 ( 6.984 11.345 -2.202) 13.503 8.285 ( -7.145 2.154 1.902) 7.701 8.439 ( 24.010 15.986 1.931) 28.910 9.230 ( 5.453 -5.481 -11.286) 13.680 9.520 ( -3.489 4.503 -1.682) 5.940 11.041 ( -12.597 -6.197 1.807) 14.155 11.661 ( 20.997 21.480 -0.639) 30.044 13.561 ( -2.500 -5.038 14.604) 15.649 13.956 ( 12.279 7.319 -7.510) 16.147 15.685 ( -20.566 -7.672 0.195) 21.951 18.273 ( 16.432 -20.034 0.148) 25.911 18.884 ( -12.470 -9.688 -1.250) 15.840 19.169 ( -4.212 19.079 0.186) 19.539 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 0.000 -3.887 17.836) 18.254 2.708 ( 0.000 14.398 21.408) 25.799 3.900 ( 0.000 2.079 8.087) 8.350 3.931 ( -0.000 26.038 -18.502) 31.942 4.634 ( 0.000 51.828 1.157) 51.841 4.881 ( -0.000 10.608 -13.162) 16.905 6.787 ( 0.000 -6.426 2.472) 6.885 7.922 ( 0.000 2.250 8.113) 8.420 8.839 ( 0.000 20.862 7.981) 22.336 9.039 ( -0.000 3.603 -4.384) 5.675 9.595 ( -0.000 30.507 -17.484) 35.162 12.317 ( -0.000 -14.561 0.134) 14.562 13.060 ( -0.000 15.150 -14.066) 20.673 14.072 ( 0.000 -6.460 2.573) 6.954 16.880 ( -0.000 -3.137 -4.916) 5.832 17.989 ( 0.000 13.089 -0.219) 13.091 17.990 ( 0.000 7.984 0.141) 7.986 20.513 ( 0.000 -27.546 9.474) 29.130 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 1.389 0.307 8.571) 8.689 2.986 ( 8.418 12.785 13.917) 20.688 3.873 ( -2.521 -5.673 -0.552) 6.233 4.237 ( 8.594 30.049 -13.216) 33.933 4.965 ( 2.491 19.496 2.578) 19.823 5.378 ( 16.868 50.072 -5.894) 53.165 6.707 ( -2.676 -4.916 1.470) 5.787 8.124 ( 13.818 5.207 9.868) 17.760 9.006 ( -4.186 6.573 -5.537) 9.560 9.067 ( 0.477 16.538 13.794) 21.541 9.956 ( 11.606 25.981 -18.944) 34.185 12.102 ( -6.348 -16.428 0.135) 17.612 13.214 ( 5.713 12.858 -13.476) 19.482 13.986 ( -3.150 -6.462 1.998) 7.462 16.810 ( -0.184 -8.799 -3.203) 9.366 17.886 ( -9.004 5.011 0.299) 10.309 18.363 ( 13.864 17.843 -0.433) 22.600 20.186 ( -8.587 -26.608 8.470) 29.214 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 7.548 8.964 -0.219) 11.720 3.304 ( 9.506 12.433 5.755) 16.676 3.723 ( -5.502 -7.983 -2.284) 9.961 4.722 ( 15.212 30.123 -6.477) 34.362 5.268 ( 7.272 19.617 5.824) 21.717 6.088 ( 13.762 23.425 -0.578) 27.174 6.721 ( 8.965 12.984 -3.169) 16.093 8.459 ( 10.935 7.993 6.722) 15.121 9.009 ( -0.924 4.846 -1.423) 5.134 9.295 ( 4.755 11.089 11.762) 16.850 10.363 ( 13.831 23.897 -15.078) 31.460 11.800 ( -9.082 -15.832 0.128) 18.252 13.408 ( 7.131 10.822 -10.495) 16.677 13.854 ( -5.308 -6.055 2.086) 8.318 16.654 ( -6.646 -10.010 -1.253) 12.080 17.806 ( -1.163 -2.824 0.035) 3.054 18.774 ( 11.321 19.327 -0.395) 22.403 19.772 ( -12.391 -23.000 5.812) 26.764 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 15.286 15.537 -3.838) 22.131 3.518 ( -5.507 -7.621 -0.634) 9.424 3.601 ( 6.748 12.008 0.286) 13.777 5.286 ( 17.551 26.253 -1.701) 31.626 5.613 ( 8.924 16.472 6.657) 19.882 6.197 ( -1.446 -4.682 -0.780) 4.962 7.353 ( 28.171 32.117 -2.489) 42.794 8.640 ( -2.375 8.280 5.887) 10.433 9.041 ( 2.567 -0.349 -4.458) 5.156 9.490 ( 5.094 3.896 4.300) 7.722 10.856 ( 18.241 25.590 -4.966) 31.816 11.499 ( -8.906 -11.437 -0.557) 14.507 13.608 ( 7.393 8.511 -4.629) 12.187 13.709 ( -5.037 -5.153 1.954) 7.466 16.368 ( -15.126 -8.425 0.012) 17.314 17.791 ( 7.367 -11.530 -0.189) 13.684 19.119 ( 6.274 18.452 0.031) 19.490 19.355 ( -12.625 -18.452 2.187) 22.464 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( 3.938 5.191 -3.074) 7.204 3.367 ( 8.298 1.529 2.440) 8.783 3.857 ( 6.902 15.235 -3.652) 17.120 5.746 ( 9.098 12.182 1.398) 15.269 5.956 ( 8.324 12.976 5.520) 16.375 6.153 ( 6.151 2.455 -2.494) 7.076 8.132 ( 26.362 27.202 -2.867) 37.988 8.577 ( -12.684 1.376 10.292) 16.392 9.043 ( 4.554 -7.069 -13.670) 16.049 9.585 ( 0.959 4.755 0.710) 4.903 11.192 ( -8.280 -1.117 3.996) 9.261 11.526 ( 19.984 22.245 -3.170) 30.070 13.580 ( -3.044 -7.390 7.785) 11.157 13.829 ( 8.972 8.367 -4.176) 12.959 15.981 ( -20.227 -6.795 0.360) 21.341 17.813 ( 12.248 -18.639 0.012) 22.303 18.973 ( -11.784 -14.027 -0.706) 18.334 19.377 ( 1.767 17.529 -0.033) 17.618 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 0.000 5.858 7.252) 9.323 3.075 ( 0.000 12.157 11.362) 16.640 3.825 ( -0.000 -7.461 -2.675) 7.926 4.433 ( -0.000 32.472 -11.433) 34.426 5.126 ( -0.000 20.377 -3.435) 20.664 5.740 ( 0.000 46.256 -2.539) 46.326 6.743 ( 0.000 4.402 2.911) 5.277 8.082 ( 0.000 6.602 12.392) 14.041 9.056 ( -0.000 2.168 -7.950) 8.240 9.267 ( 0.000 13.857 13.304) 19.209 10.096 ( -0.000 30.892 -16.343) 34.949 11.985 ( -0.000 -18.296 0.084) 18.297 13.255 ( -0.000 12.698 -9.349) 15.768 13.954 ( -0.000 -6.034 -0.087) 6.034 16.669 ( -0.000 -14.475 -2.929) 14.768 18.170 ( 0.000 9.489 0.254) 9.493 18.309 ( 0.000 17.038 0.183) 17.039 20.008 ( 0.000 -27.613 7.324) 28.568 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 1.681 14.157 3.453) 14.668 3.293 ( 7.330 11.575 6.930) 15.354 3.708 ( -3.130 -8.374 -3.200) 9.495 4.807 ( 8.359 32.438 -7.210) 34.265 5.363 ( 4.809 19.760 -2.698) 20.515 6.134 ( 4.988 15.736 0.992) 16.538 6.863 ( -0.953 28.763 -0.742) 28.788 8.327 ( 13.425 6.968 11.312) 18.888 9.045 ( -0.554 2.330 -6.268) 6.710 9.412 ( -0.760 8.796 10.108) 13.421 10.417 ( 6.446 30.228 -11.672) 33.038 11.754 ( -4.803 -18.036 0.091) 18.665 13.396 ( 4.104 11.911 -5.078) 13.583 13.868 ( -2.820 -5.483 -2.007) 6.485 16.524 ( 2.304 -17.286 -1.954) 17.548 18.019 ( -17.160 7.319 0.460) 18.662 18.708 ( 16.243 15.908 0.039) 22.735 19.706 ( -6.002 -25.205 5.309) 26.448 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 7.266 20.465 0.425) 21.721 3.521 ( -3.249 -6.527 -0.979) 7.357 3.592 ( 6.961 9.453 1.980) 11.905 5.291 ( 12.874 28.827 -2.850) 31.700 5.650 ( 7.447 16.920 -0.952) 18.511 6.186 ( -2.405 -4.342 1.584) 5.210 7.346 ( 13.723 40.450 -1.092) 42.729 8.649 ( 11.597 5.159 4.289) 13.397 9.018 ( -3.381 -2.327 0.119) 4.106 9.497 ( 1.245 5.478 2.636) 6.205 10.856 ( 12.427 30.583 -4.921) 33.376 11.496 ( -5.524 -14.110 0.235) 15.155 13.584 ( 5.215 10.237 -0.127) 11.489 13.739 ( -4.538 -5.104 -3.718) 7.776 16.372 ( -0.152 -17.168 -0.784) 17.187 17.788 ( -13.477 0.616 0.260) 13.494 19.120 ( 12.964 14.966 -0.107) 19.800 19.353 ( -9.026 -21.021 2.709) 23.037 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 13.319 23.070 -0.000) 26.639 3.315 ( -6.472 -11.209 0.000) 12.943 3.869 ( 7.882 13.652 0.000) 15.764 5.737 ( 9.371 16.232 -0.000) 18.743 5.982 ( 11.939 20.678 0.000) 23.877 6.076 ( -3.232 -5.598 -0.000) 6.463 8.032 ( 20.189 34.968 -0.000) 40.377 8.832 ( -8.043 -13.933 -0.001) 16.088 8.832 ( 2.814 4.875 0.001) 5.629 9.599 ( 2.903 5.028 -0.000) 5.805 11.306 ( -3.788 -6.560 0.000) 7.575 11.416 ( 17.195 29.783 -0.000) 34.390 13.580 ( -4.473 -7.748 -0.000) 8.946 13.787 ( 5.710 9.891 -0.000) 11.421 16.152 ( -7.771 -13.459 -0.000) 15.542 17.585 ( -5.085 -8.807 -0.000) 10.170 19.004 ( -9.574 -16.583 -0.000) 19.149 19.450 ( 8.211 14.222 -0.000) 16.422 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 0.000 20.521 5.483) 21.241 3.353 ( 0.000 10.413 5.666) 11.855 3.641 ( -0.000 -8.294 -3.709) 9.086 5.044 ( -0.000 33.382 -5.687) 33.863 5.497 ( -0.000 18.596 -6.652) 19.750 6.195 ( 0.000 2.513 2.977) 3.895 7.236 ( 0.000 40.423 -1.481) 40.450 8.293 ( 0.000 4.862 10.883) 11.920 9.054 ( -0.000 4.038 -7.335) 8.373 9.516 ( 0.000 3.111 9.690) 10.177 10.649 ( -0.000 32.422 -7.785) 33.343 11.604 ( -0.000 -19.449 -0.105) 19.450 13.479 ( 0.000 13.048 0.005) 13.048 13.828 ( -0.000 -4.777 -5.821) 7.530 16.302 ( -0.000 -20.018 -1.773) 20.097 18.362 ( 0.000 9.292 0.270) 9.296 18.616 ( 0.000 12.767 0.358) 12.772 19.522 ( 0.000 -24.276 4.260) 24.647 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 0.531 23.531 4.866) 24.035 3.499 ( -1.478 -4.401 -1.070) 4.765 3.567 ( 6.121 7.347 1.903) 9.750 5.411 ( 5.747 30.282 -2.842) 30.953 5.692 ( 5.077 16.070 -6.778) 18.165 6.190 ( -1.139 -3.317 3.039) 4.640 7.641 ( 1.162 41.094 -0.137) 41.111 8.460 ( 11.282 -0.723 2.809) 11.649 9.083 ( -1.758 5.255 0.366) 5.553 9.537 ( -0.553 -0.385 4.899) 4.945 11.000 ( 5.126 31.237 -4.032) 31.911 11.403 ( -0.813 -15.867 0.453) 15.894 13.639 ( 2.101 12.004 4.621) 13.033 13.736 ( -2.565 -3.782 -9.433) 10.482 16.124 ( 3.535 -21.193 -1.094) 21.514 18.163 ( -22.116 6.509 0.295) 23.056 18.977 ( 17.596 10.412 -0.052) 20.445 19.266 ( -4.114 -20.606 2.745) 21.191 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( 0.000 15.351 7.746) 17.195 3.504 ( -0.000 4.242 -3.433) 5.457 3.568 ( 0.000 8.254 3.076) 8.808 5.681 ( 0.000 32.372 -1.322) 32.399 5.757 ( -0.000 11.898 -8.402) 14.565 6.171 ( 0.000 -3.775 2.665) 4.621 8.048 ( 0.000 38.742 0.127) 38.742 8.325 ( -0.000 -5.748 0.198) 5.752 9.186 ( 0.000 11.116 1.098) 11.170 9.521 ( 0.000 -7.145 6.908) 9.938 11.219 ( -0.000 -18.471 -0.494) 18.477 11.275 ( 0.000 32.105 -1.458) 32.138 13.676 ( -0.000 -4.355 -11.221) 12.037 13.783 ( 0.000 14.679 5.204) 15.574 15.871 ( -0.000 -21.737 -0.795) 21.751 18.536 ( 0.000 7.853 0.213) 7.856 18.806 ( 0.000 5.661 -0.173) 5.663 19.110 ( -0.000 -18.246 2.181) 18.376 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 0.000 -0.000 34.364) 34.364 2.220 ( 0.000 -0.000 34.364) 34.364 3.436 ( -0.000 0.000 -24.281) 24.281 3.436 ( -0.000 0.000 -24.281) 24.281 3.533 ( 0.000 -0.000 53.825) 53.825 5.282 ( -0.000 0.000 -34.474) 34.474 6.958 ( -0.000 0.000 -0.750) 0.750 7.976 ( -0.000 -0.000 -1.713) 1.713 7.976 ( 0.000 0.000 -1.713) 1.713 8.885 ( 0.000 -0.000 2.721) 2.721 8.885 ( 0.000 -0.000 2.721) 2.721 12.632 ( 0.000 -0.000 0.144) 0.144 12.632 ( 0.000 -0.000 0.144) 0.144 14.218 ( 0.000 -0.000 2.987) 2.987 16.761 ( -0.000 0.000 -7.351) 7.351 17.815 ( -0.000 0.000 -0.110) 0.110 17.815 ( -0.000 0.000 -0.110) 0.110 21.182 ( 0.000 -0.000 3.182) 3.182 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 4.122 2.380 27.152) 27.566 2.476 ( 11.381 6.571 29.522) 32.314 3.466 ( 10.322 5.959 -22.376) 25.353 3.679 ( 27.089 15.640 -19.555) 36.889 3.781 ( 6.496 3.750 41.558) 42.230 4.973 ( -11.761 -6.790 -24.775) 28.253 6.922 ( -2.479 -1.431 -0.040) 2.863 8.077 ( 5.451 3.147 -5.866) 8.604 8.143 ( 14.717 8.497 3.607) 17.373 8.843 ( -1.655 -0.955 5.815) 6.121 9.212 ( 22.563 13.027 -8.503) 27.406 12.550 ( -7.042 -4.066 0.085) 8.132 12.771 ( 10.948 6.321 -5.344) 13.724 14.184 ( -3.672 -2.120 2.585) 4.966 16.817 ( 4.905 2.832 -5.642) 7.995 17.837 ( 3.007 1.736 -0.227) 3.480 17.865 ( 4.138 2.389 -0.163) 4.781 20.996 ( -15.865 -9.160 5.141) 19.027 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -1.917 -1.107 11.168) 11.385 2.849 ( 12.943 7.473 16.739) 22.440 3.780 ( 21.706 12.532 -13.297) 28.373 3.929 ( -1.148 -0.663 6.934) 7.060 4.455 ( 30.422 17.564 5.083) 35.494 4.916 ( 20.291 11.715 -9.433) 25.258 6.850 ( -3.338 -1.927 -1.034) 3.991 8.190 ( 6.409 3.700 -9.147) 11.766 8.606 ( 21.789 12.580 15.575) 29.591 8.845 ( -0.174 -0.100 8.287) 8.290 9.714 ( 22.883 13.212 -18.395) 32.196 12.319 ( -12.595 -7.272 0.018) 14.543 13.030 ( 12.831 7.408 -11.382) 18.683 14.072 ( -6.516 -3.762 2.555) 7.946 16.841 ( -3.421 -1.975 -2.442) 4.644 17.996 ( 7.001 4.042 -0.190) 8.087 18.005 ( 11.931 6.888 -1.264) 13.835 20.553 ( -22.720 -13.117 6.523) 27.033 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 6.637 3.832 -1.916) 7.900 3.155 ( 10.822 6.248 4.269) 13.205 3.806 ( -7.836 -4.524 -0.809) 9.084 4.345 ( 28.223 16.295 -3.426) 32.769 4.972 ( 18.159 10.484 11.268) 23.804 5.741 ( 38.219 22.066 -2.041) 44.179 6.810 ( 3.387 1.955 -3.450) 5.215 8.307 ( 5.922 3.419 -9.752) 11.910 8.889 ( 1.837 1.061 8.401) 8.665 9.174 ( 20.099 11.604 19.452) 30.282 10.149 ( 21.042 12.148 -18.741) 30.685 11.986 ( -15.903 -9.181 0.009) 18.363 13.278 ( 11.980 6.916 -11.579) 18.040 13.914 ( -7.603 -4.390 3.988) 9.642 16.642 ( -12.647 -7.302 -0.155) 14.604 18.174 ( 8.238 4.756 -0.204) 9.515 18.325 ( 14.629 8.446 -1.454) 16.954 20.034 ( -23.107 -13.341 4.650) 27.084 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 18.427 10.639 -7.748) 22.644 3.387 ( 9.069 5.236 -1.369) 10.562 3.618 ( -7.999 -4.618 1.081) 9.299 5.013 ( 29.306 16.920 0.607) 33.845 5.412 ( 16.178 9.340 10.832) 21.593 6.219 ( 3.388 1.956 -1.924) 4.359 7.236 ( 33.526 19.356 -1.416) 38.738 8.375 ( 1.484 0.857 -5.625) 5.880 8.996 ( 5.967 3.445 4.151) 8.044 9.537 ( 6.392 3.691 5.389) 9.139 10.643 ( 26.159 15.103 -6.825) 30.967 11.603 ( -16.955 -9.789 0.149) 19.578 13.520 ( 12.009 6.934 -8.716) 16.379 13.766 ( -6.422 -3.708 7.378) 10.461 16.290 ( -17.266 -9.969 0.678) 19.949 18.364 ( 8.042 4.643 -0.213) 9.289 18.622 ( 10.781 6.225 -0.675) 12.467 19.537 ( -20.466 -11.816 1.166) 23.661 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 0.000 0.519 25.049) 25.054 2.535 ( 0.000 9.798 28.085) 29.745 3.441 ( -0.000 15.378 -23.154) 27.795 3.597 ( -0.000 32.261 -18.601) 37.239 3.932 ( 0.000 8.471 40.625) 41.499 4.889 ( -0.000 -11.051 -27.275) 29.428 6.908 ( 0.000 -4.432 0.698) 4.487 7.926 ( 0.000 -0.591 3.882) 3.927 8.318 ( -0.000 27.357 -6.474) 28.112 8.959 ( -0.000 3.255 -1.781) 3.710 9.071 ( 0.000 17.774 -0.101) 17.774 12.549 ( -0.000 -8.179 0.120) 8.180 12.755 ( -0.000 11.113 -4.015) 11.816 14.191 ( 0.000 -4.186 2.166) 4.713 16.805 ( -0.000 6.597 -4.985) 8.269 17.835 ( 0.000 2.911 -0.074) 2.912 17.861 ( 0.000 4.643 0.039) 4.643 21.008 ( 0.000 -18.080 4.226) 18.567 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -1.874 -6.283 13.043) 14.598 2.805 ( 8.512 9.863 17.943) 22.174 3.645 ( 9.850 23.129 -15.226) 29.391 3.932 ( 3.608 4.497 1.689) 6.008 4.332 ( 17.197 39.156 11.288) 44.231 4.770 ( 4.670 4.844 -14.750) 16.213 6.841 ( -1.914 -6.201 0.481) 6.507 8.064 ( 10.593 2.963 3.278) 11.478 8.595 ( 3.763 25.470 -0.831) 25.759 8.933 ( -2.998 4.840 4.826) 7.463 9.459 ( 17.598 18.552 -11.121) 27.885 12.389 ( -6.693 -11.685 0.063) 13.466 12.926 ( 7.051 11.816 -6.918) 15.401 14.118 ( -3.348 -5.530 1.738) 6.694 16.861 ( 0.446 2.081 -2.972) 3.655 17.834 ( 0.609 0.374 -0.036) 0.715 18.038 ( 8.021 13.446 -0.303) 15.659 20.704 ( -12.203 -21.751 4.748) 25.388 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 1.373 -2.159 1.559) 2.996 3.091 ( 8.453 10.157 4.933) 14.105 3.865 ( -5.399 -6.319 -0.242) 8.314 4.132 ( 19.614 26.001 -4.255) 32.846 4.902 ( 10.413 18.860 8.214) 23.057 5.369 ( 35.199 36.894 -4.248) 51.168 6.742 ( -0.325 -6.617 -1.796) 6.864 8.278 ( 5.347 10.211 -4.571) 12.400 8.890 ( 4.740 5.408 4.440) 8.451 9.077 ( 9.945 14.616 14.214) 22.684 9.902 ( 17.627 17.578 -14.601) 28.860 12.103 ( -11.011 -13.727 0.012) 17.597 13.157 ( 8.760 10.744 -7.197) 15.620 13.987 ( -5.487 -5.929 1.997) 8.322 16.782 ( -8.409 -3.715 -0.489) 9.206 17.894 ( 9.261 -5.488 -0.430) 10.774 18.365 ( 8.918 20.605 -0.605) 22.460 20.234 ( -17.640 -20.897 3.361) 27.553 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 12.489 7.241 -4.336) 15.073 3.335 ( 6.945 11.269 -1.745) 13.352 3.689 ( -6.564 -6.962 0.761) 9.598 4.765 ( 23.499 24.610 1.366) 34.054 5.311 ( 13.211 15.610 7.934) 21.935 6.143 ( 12.841 13.470 -0.754) 18.625 6.872 ( 23.941 11.721 -2.499) 26.773 8.418 ( -0.119 12.462 -7.321) 14.454 8.985 ( 2.001 3.354 5.537) 6.775 9.438 ( 10.788 4.720 5.563) 13.023 10.382 ( 21.452 19.938 -5.112) 29.729 11.754 ( -13.247 -13.141 -0.011) 18.660 13.395 ( 9.274 9.691 -4.889) 14.277 13.840 ( -5.368 -5.574 3.892) 8.662 16.511 ( -16.291 -6.347 0.795) 17.502 18.024 ( 14.895 -11.235 -0.498) 18.663 18.710 ( 5.701 21.826 -0.417) 22.562 19.730 ( -18.205 -17.934 0.402) 25.558 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 0.000 -7.374 9.913) 12.355 2.883 ( 0.000 10.669 14.056) 17.646 3.773 ( -0.000 28.687 -13.346) 31.640 3.941 ( 0.000 -1.356 1.597) 2.095 4.663 ( 0.000 51.137 -0.581) 51.140 4.765 ( -0.000 12.823 -6.097) 14.199 6.812 ( 0.000 -5.611 2.642) 6.202 8.006 ( 0.000 4.298 9.338) 10.279 8.857 ( -0.000 28.109 -5.109) 28.569 8.989 ( -0.000 2.207 -6.190) 6.571 9.500 ( 0.000 24.533 -1.213) 24.563 12.319 ( -0.000 -14.562 0.094) 14.562 12.971 ( -0.000 12.969 -4.992) 13.897 14.089 ( -0.000 -6.695 0.880) 6.753 16.843 ( -0.000 -2.780 -2.752) 3.911 17.989 ( 0.000 13.091 0.323) 13.095 17.992 ( 0.000 8.034 0.186) 8.036 20.577 ( -0.000 -26.352 3.993) 26.653 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -1.168 -1.604 4.055) 4.515 3.085 ( 6.180 10.991 6.026) 13.975 3.866 ( -2.926 -7.678 -0.575) 8.236 4.141 ( 10.746 31.287 -6.064) 33.632 4.962 ( 6.949 18.174 -3.523) 19.774 5.347 ( 15.906 51.540 -0.250) 53.939 6.724 ( -4.298 -4.578 1.882) 6.556 8.213 ( 11.413 7.346 8.408) 15.966 8.945 ( -2.079 7.582 -6.461) 10.176 9.149 ( 3.639 16.985 0.926) 17.395 9.840 ( 9.528 24.392 -3.196) 26.381 12.103 ( -6.352 -16.408 0.066) 17.595 13.136 ( 5.142 12.475 -2.934) 13.808 13.996 ( -2.734 -7.028 0.024) 7.541 16.787 ( 0.444 -8.727 -1.475) 8.862 17.890 ( -9.147 5.136 0.387) 10.498 18.362 ( 13.620 17.926 0.094) 22.513 20.238 ( -8.892 -26.057 2.512) 27.647 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 5.114 8.857 -0.000) 10.227 3.333 ( 7.247 12.552 -0.000) 14.493 3.712 ( -4.905 -8.496 -0.000) 9.810 4.690 ( 17.192 29.778 -0.000) 34.384 5.296 ( 10.359 17.942 -0.000) 20.718 6.085 ( 14.370 24.890 -0.000) 28.741 6.706 ( 7.183 12.442 -0.000) 14.366 8.493 ( 6.494 11.248 -0.000) 12.989 8.998 ( 1.949 3.377 -0.000) 3.899 9.360 ( 5.161 8.939 -0.000) 10.322 10.285 ( 14.515 25.140 -0.000) 29.029 11.801 ( -9.129 -15.811 -0.000) 18.257 13.357 ( 6.653 11.523 -0.000) 13.305 13.865 ( -4.004 -6.936 -0.000) 8.009 16.648 ( -5.911 -10.239 -0.000) 11.823 17.806 ( -1.508 -2.613 -0.000) 3.017 18.772 ( 11.232 19.454 -0.000) 22.463 19.800 ( -13.129 -22.740 -0.000) 26.258 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 0.000 5.080 4.887) 7.049 3.154 ( 0.000 10.976 4.488) 11.858 3.807 ( -0.000 -8.740 -1.066) 8.805 4.352 ( 0.000 33.525 -4.966) 33.891 5.068 ( -0.000 20.946 -8.401) 22.568 5.729 ( 0.000 46.038 0.198) 46.038 6.775 ( 0.000 3.539 3.665) 5.095 8.200 ( 0.000 7.306 12.067) 14.106 8.974 ( -0.000 1.683 -8.979) 9.135 9.308 ( -0.000 19.388 -6.062) 20.313 10.028 ( 0.000 27.464 3.882) 27.737 11.986 ( -0.000 -18.330 0.041) 18.330 13.217 ( 0.000 13.194 1.195) 13.248 13.944 ( -0.000 -7.400 -2.070) 7.684 16.648 ( -0.000 -14.356 -1.497) 14.434 18.172 ( 0.000 9.509 0.248) 9.512 18.314 ( 0.000 17.003 0.879) 17.025 20.050 ( -0.000 -27.150 1.369) 27.185 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 0.000 -0.000 29.955) 29.955 2.532 ( 0.000 -0.000 29.955) 29.955 3.196 ( -0.000 0.000 -24.926) 24.926 3.196 ( -0.000 0.000 -24.926) 24.926 4.024 ( 0.000 -0.000 48.349) 48.349 4.931 ( -0.000 0.000 -38.547) 38.547 6.952 ( -0.000 0.000 -0.406) 0.406 7.964 ( -0.000 -0.000 -0.882) 0.882 7.964 ( 0.000 0.000 -0.882) 0.882 8.905 ( 0.000 -0.000 1.426) 1.426 8.905 ( 0.000 -0.000 1.426) 1.426 12.633 ( 0.000 -0.000 0.078) 0.078 12.633 ( 0.000 -0.000 0.078) 0.078 14.241 ( 0.000 -0.000 1.695) 1.695 16.706 ( -0.000 0.000 -4.052) 4.052 17.814 ( -0.000 0.000 -0.060) 0.060 17.814 ( -0.000 0.000 -0.060) 0.060 21.206 ( 0.000 -0.000 1.706) 1.706 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -1.468 -0.848 15.489) 15.582 2.723 ( 7.499 4.329 19.535) 21.368 3.269 ( 13.511 7.800 -16.285) 22.552 3.507 ( 30.706 17.728 -13.499) 37.939 4.159 ( -0.055 -0.032 34.666) 34.666 4.717 ( -4.088 -2.360 -27.040) 27.449 6.920 ( -2.573 -1.486 -0.388) 2.997 8.021 ( 3.638 2.100 -5.725) 7.101 8.188 ( 18.609 10.744 5.724) 22.238 8.894 ( -0.209 -0.120 4.835) 4.841 9.142 ( 17.386 10.038 -6.314) 21.045 12.550 ( -7.061 -4.077 0.016) 8.154 12.737 ( 8.309 4.797 -1.939) 9.788 14.202 ( -3.662 -2.114 1.145) 4.381 16.778 ( 5.472 3.159 -2.315) 6.729 17.835 ( 2.774 1.602 -0.121) 3.206 17.863 ( 4.112 2.374 -0.141) 4.750 21.030 ( -14.821 -8.557 1.961) 17.226 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -5.977 -3.451 1.216) 7.008 2.947 ( 8.807 5.085 2.094) 10.383 3.706 ( 25.158 14.525 -0.643) 29.057 3.950 ( -1.916 -1.106 -0.467) 2.261 4.559 ( 30.010 17.326 14.358) 37.509 4.818 ( 24.015 13.865 -10.425) 29.626 6.835 ( -4.076 -2.354 -2.095) 5.152 8.098 ( 5.283 3.050 -9.792) 11.537 8.755 ( 25.190 14.543 14.530) 32.514 8.922 ( 0.753 0.435 7.645) 7.695 9.562 ( 20.445 11.804 -12.528) 26.725 12.319 ( -12.606 -7.278 -0.041) 14.556 12.961 ( 11.155 6.440 -3.028) 13.232 14.089 ( -6.122 -3.535 0.954) 7.133 16.829 ( -2.657 -1.534 0.123) 3.070 17.994 ( 6.988 4.035 -0.204) 8.072 17.995 ( 11.549 6.668 -0.822) 13.361 20.590 ( -22.438 -12.954 1.190) 25.936 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 0.000 -4.422 8.409) 9.501 2.756 ( 0.000 6.184 14.418) 15.688 3.248 ( -0.000 18.130 -13.617) 22.674 3.467 ( -0.000 37.363 -6.135) 37.863 4.267 ( 0.000 -1.683 23.462) 23.522 4.632 ( -0.000 -2.190 -20.535) 20.652 6.915 ( 0.000 -3.558 0.665) 3.619 7.969 ( 0.000 1.829 5.021) 5.343 8.251 ( -0.000 25.524 -7.109) 26.495 8.934 ( -0.000 1.531 -3.414) 3.741 9.092 ( 0.000 16.809 3.968) 17.271 12.550 ( -0.000 -8.171 0.056) 8.171 12.732 ( 0.000 9.112 -0.899) 9.156 14.205 ( -0.000 -4.205 0.572) 4.243 16.774 ( -0.000 6.640 -1.461) 6.799 17.834 ( 0.000 3.015 0.017) 3.015 17.862 ( 0.000 4.701 0.098) 4.702 21.034 ( -0.000 -17.048 1.102) 17.084 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -4.376 -7.579 -0.000) 8.752 2.901 ( 4.795 8.305 -0.000) 9.590 3.562 ( 13.847 23.984 -0.000) 27.694 3.927 ( 5.698 9.870 -0.000) 11.397 4.425 ( 16.783 29.069 -0.000) 33.566 4.671 ( 5.268 9.125 -0.000) 10.536 6.843 ( -3.169 -5.489 -0.000) 6.338 8.081 ( 4.188 7.255 -0.000) 8.377 8.588 ( 12.400 21.477 -0.000) 24.800 8.961 ( 2.068 3.582 -0.000) 4.137 9.403 ( 11.222 19.437 -0.000) 22.444 12.389 ( -6.733 -11.662 -0.000) 13.466 12.893 ( 6.269 10.858 -0.000) 12.537 14.127 ( -3.209 -5.558 -0.000) 6.418 16.847 ( 1.156 2.002 -0.000) 2.311 17.834 ( 0.318 0.551 -0.000) 0.636 18.036 ( 7.782 13.479 -0.000) 15.564 20.726 ( -12.231 -21.186 -0.000) 24.463 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 5.83e-04 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 0.000 -0.000 0.000) 0.000 2.725 ( 0.000 -0.000 0.000) 0.000 3.027 ( 0.000 -0.000 0.000) 0.000 3.027 ( 0.000 -0.000 0.000) 0.000 4.373 ( 0.000 -0.000 0.000) 0.000 4.629 ( -0.000 0.000 -0.000) 0.000 6.950 ( 0.000 -0.000 0.000) 0.000 7.960 ( 0.000 -0.000 0.000) 0.000 7.960 ( 0.000 -0.000 0.000) 0.000 8.912 ( 0.000 -0.000 0.000) 0.000 8.912 ( 0.000 -0.000 0.000) 0.000 12.634 ( 0.000 -0.000 0.000) 0.000 12.634 ( 0.000 -0.000 0.000) 0.000 14.249 ( 0.000 -0.000 0.000) 0.000 16.686 ( 0.000 -0.000 0.000) 0.000 17.814 ( 0.000 -0.000 0.000) 0.000 17.814 ( 0.000 -0.000 0.000) 0.000 21.214 ( 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 3/73728 10.0 402.308 402.308 11925.279 -0.000 0.000 -0.000 3/73728 20.0 411.304 411.304 889.898 0.000 -0.000 -0.000 3/73728 30.0 148.694 148.694 195.079 0.000 -0.000 -0.000 3/73728 40.0 70.492 70.492 80.818 0.000 -0.000 -0.000 3/73728 50.0 42.819 42.819 45.055 0.000 -0.000 -0.000 3/73728 60.0 29.700 29.700 29.481 0.000 -0.000 -0.000 3/73728 70.0 22.258 22.258 21.245 0.000 -0.000 -0.000 3/73728 80.0 17.577 17.577 16.324 0.000 -0.000 -0.000 3/73728 90.0 14.422 14.422 13.129 0.000 -0.000 -0.000 3/73728 100.0 12.186 12.186 10.925 0.000 -0.000 -0.000 3/73728 110.0 10.536 10.536 9.331 0.000 -0.000 -0.000 3/73728 120.0 9.278 9.278 8.136 0.000 -0.000 -0.000 3/73728 130.0 8.292 8.292 7.211 0.000 -0.000 -0.000 3/73728 140.0 7.500 7.500 6.478 0.000 -0.000 -0.000 3/73728 150.0 6.853 6.853 5.885 0.000 -0.000 -0.000 3/73728 160.0 6.314 6.314 5.395 0.000 -0.000 -0.000 3/73728 170.0 5.860 5.860 4.985 0.000 -0.000 -0.000 3/73728 180.0 5.470 5.470 4.637 0.000 -0.000 -0.000 3/73728 190.0 5.133 5.133 4.337 0.000 -0.000 -0.000 3/73728 200.0 4.839 4.839 4.077 0.000 -0.000 -0.000 3/73728 210.0 4.579 4.579 3.849 0.000 -0.000 -0.000 3/73728 220.0 4.348 4.348 3.647 0.000 -0.000 -0.000 3/73728 230.0 4.142 4.142 3.466 0.000 -0.000 -0.000 3/73728 240.0 3.955 3.955 3.305 0.000 -0.000 -0.000 3/73728 250.0 3.786 3.786 3.159 0.000 -0.000 -0.000 3/73728 260.0 3.632 3.632 3.026 0.000 -0.000 -0.000 3/73728 270.0 3.491 3.491 2.905 0.000 -0.000 -0.000 3/73728 280.0 3.362 3.362 2.794 0.000 -0.000 -0.000 3/73728 290.0 3.242 3.242 2.691 0.000 -0.000 -0.000 3/73728 300.0 3.131 3.131 2.597 0.000 -0.000 -0.000 3/73728 310.0 3.028 3.028 2.509 0.000 -0.000 -0.000 3/73728 320.0 2.931 2.931 2.428 0.000 -0.000 -0.000 3/73728 330.0 2.841 2.841 2.351 0.000 -0.000 -0.000 3/73728 340.0 2.757 2.757 2.280 0.000 -0.000 -0.000 3/73728 350.0 2.678 2.678 2.213 0.000 -0.000 -0.000 3/73728 360.0 2.603 2.603 2.150 0.000 -0.000 -0.000 3/73728 370.0 2.533 2.533 2.091 0.000 -0.000 -0.000 3/73728 380.0 2.466 2.466 2.035 0.000 -0.000 -0.000 3/73728 390.0 2.403 2.403 1.982 0.000 -0.000 -0.000 3/73728 400.0 2.344 2.344 1.932 0.000 -0.000 -0.000 3/73728 410.0 2.287 2.287 1.884 0.000 -0.000 -0.000 3/73728 420.0 2.233 2.233 1.839 0.000 -0.000 -0.000 3/73728 430.0 2.181 2.181 1.796 0.000 -0.000 -0.000 3/73728 440.0 2.132 2.132 1.755 0.000 -0.000 -0.000 3/73728 450.0 2.085 2.085 1.716 0.000 -0.000 -0.000 3/73728 460.0 2.041 2.041 1.679 0.000 -0.000 -0.000 3/73728 470.0 1.998 1.998 1.643 0.000 -0.000 -0.000 3/73728 480.0 1.957 1.957 1.609 0.000 -0.000 -0.000 3/73728 490.0 1.917 1.917 1.576 0.000 -0.000 -0.000 3/73728 500.0 1.879 1.879 1.544 0.000 -0.000 -0.000 3/73728 510.0 1.843 1.843 1.514 0.000 -0.000 -0.000 3/73728 520.0 1.808 1.808 1.485 0.000 -0.000 -0.000 3/73728 530.0 1.774 1.774 1.457 0.000 -0.000 -0.000 3/73728 540.0 1.742 1.742 1.430 0.000 -0.000 -0.000 3/73728 550.0 1.711 1.711 1.404 0.000 -0.000 -0.000 3/73728 560.0 1.681 1.681 1.379 0.000 -0.000 -0.000 3/73728 570.0 1.652 1.652 1.355 0.000 -0.000 -0.000 3/73728 580.0 1.624 1.624 1.332 0.000 -0.000 -0.000 3/73728 590.0 1.597 1.597 1.310 0.000 -0.000 -0.000 3/73728 600.0 1.570 1.570 1.288 0.000 -0.000 -0.000 3/73728 610.0 1.545 1.545 1.267 0.000 -0.000 -0.000 3/73728 620.0 1.520 1.520 1.247 0.000 -0.000 -0.000 3/73728 630.0 1.497 1.497 1.227 0.000 -0.000 -0.000 3/73728 640.0 1.474 1.474 1.208 0.000 -0.000 -0.000 3/73728 650.0 1.451 1.451 1.189 0.000 -0.000 -0.000 3/73728 660.0 1.430 1.430 1.172 0.000 -0.000 -0.000 3/73728 670.0 1.409 1.409 1.154 0.000 -0.000 -0.000 3/73728 680.0 1.388 1.388 1.137 0.000 -0.000 -0.000 3/73728 690.0 1.368 1.368 1.121 0.000 -0.000 -0.000 3/73728 700.0 1.349 1.349 1.105 0.000 -0.000 -0.000 3/73728 710.0 1.330 1.330 1.090 0.000 -0.000 -0.000 3/73728 720.0 1.312 1.312 1.075 0.000 -0.000 -0.000 3/73728 730.0 1.294 1.294 1.060 0.000 -0.000 -0.000 3/73728 740.0 1.277 1.277 1.046 0.000 -0.000 -0.000 3/73728 750.0 1.260 1.260 1.032 0.000 -0.000 -0.000 3/73728 760.0 1.244 1.244 1.018 0.000 -0.000 -0.000 3/73728 770.0 1.228 1.228 1.005 0.000 -0.000 -0.000 3/73728 780.0 1.212 1.212 0.992 0.000 -0.000 -0.000 3/73728 790.0 1.197 1.197 0.980 0.000 -0.000 -0.000 3/73728 800.0 1.183 1.183 0.968 0.000 -0.000 -0.000 3/73728 810.0 1.168 1.168 0.956 0.000 -0.000 -0.000 3/73728 820.0 1.154 1.154 0.944 0.000 -0.000 -0.000 3/73728 830.0 1.140 1.140 0.933 0.000 -0.000 -0.000 3/73728 840.0 1.127 1.127 0.922 0.000 -0.000 -0.000 3/73728 850.0 1.114 1.114 0.911 0.000 -0.000 -0.000 3/73728 860.0 1.101 1.101 0.901 0.000 -0.000 -0.000 3/73728 870.0 1.089 1.089 0.890 0.000 -0.000 -0.000 3/73728 880.0 1.076 1.076 0.880 0.000 -0.000 -0.000 3/73728 890.0 1.064 1.064 0.871 0.000 -0.000 -0.000 3/73728 900.0 1.053 1.053 0.861 0.000 -0.000 -0.000 3/73728 910.0 1.041 1.041 0.852 0.000 -0.000 -0.000 3/73728 920.0 1.030 1.030 0.842 0.000 -0.000 -0.000 3/73728 930.0 1.019 1.019 0.833 0.000 -0.000 -0.000 3/73728 940.0 1.008 1.008 0.825 0.000 -0.000 -0.000 3/73728 950.0 0.998 0.998 0.816 0.000 -0.000 -0.000 3/73728 960.0 0.988 0.988 0.807 0.000 -0.000 -0.000 3/73728 970.0 0.978 0.978 0.799 0.000 -0.000 -0.000 3/73728 980.0 0.968 0.968 0.791 0.000 -0.000 -0.000 3/73728 990.0 0.958 0.958 0.783 0.000 -0.000 -0.000 3/73728 1000.0 0.949 0.949 0.775 0.000 -0.000 -0.000 3/73728 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:54:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|