----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:40:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.683976005647394 -2.637791955000000 0.000000000000000 b 3.683976005647394 2.637791955000000 0.000000000000000 c -3.511452508891895 0.000000000000000 8.018083220777363 Atomic positions (fractional): *1 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 *2 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 *3 C 0.04361762185845 0.04361762185845 0.73248106898223 12.011 4 C 0.95638237814155 0.95638237814155 0.26751893101777 12.011 *5 O 0.66137933016725 0.08722034429026 0.19885840668551 15.999 6 O 0.08722034429026 0.66137933016725 0.19885840668551 15.999 *7 O 0.11293025904094 0.11293025904094 0.40391578580976 15.999 8 O 0.91277965570974 0.33862066983275 0.80114159331449 15.999 9 O 0.33862066983275 0.91277965570974 0.80114159331449 15.999 10 O 0.88706974095906 0.88706974095906 0.59608421419024 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.367952011294788 0.000000000000000 0.000000000000000 b 0.000000000000000 5.275583909999999 0.000000000000000 c -3.511452508891895 0.000000000000000 8.018083220777363 Atomic positions (fractional): *1 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 1 *2 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 2 3 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 1 4 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 2 *5 C 0.04361762185845 0.00000000000000 0.73248106898223 12.011 > 3 6 C 0.45638237814155 0.50000000000000 0.26751893101777 12.011 > 4 7 C 0.54361762185845 0.50000000000000 0.73248106898223 12.011 > 3 8 C 0.95638237814155 0.00000000000000 0.26751893101777 12.011 > 4 *9 O 0.37429983722875 0.71292050706150 0.19885840668551 15.999 > 5 10 O 0.87429983722876 0.78707949293850 0.19885840668551 15.999 > 6 *11 O 0.11293025904094 0.00000000000000 0.40391578580976 15.999 > 7 12 O 0.62570016277124 0.71292050706150 0.80114159331449 15.999 > 8 13 O 0.12570016277124 0.78707949293850 0.80114159331449 15.999 > 9 14 O 0.38706974095906 0.50000000000000 0.59608421419024 15.999 > 10 15 O 0.87429983722876 0.21292050706150 0.19885840668551 15.999 > 5 16 O 0.37429983722875 0.28707949293850 0.19885840668551 15.999 > 6 17 O 0.61293025904094 0.50000000000000 0.40391578580976 15.999 > 7 18 O 0.12570016277124 0.21292050706150 0.80114159331449 15.999 > 8 19 O 0.62570016277124 0.28707949293850 0.80114159331449 15.999 > 9 20 O 0.88706974095906 0.00000000000000 0.59608421419024 15.999 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.735904022589576 0.000000000000000 0.000000000000000 b 0.000000000000000 10.551167819999998 0.000000000000000 c -3.511452508891895 0.000000000000000 8.018083220777363 Atomic positions (fractional): *1 Ba 0.00000000000000 0.25000000000000 0.00000000000000 137.327 > 1 2 Ba 0.50000000000000 0.25000000000000 0.00000000000000 137.327 > 1 3 Ba 0.00000000000000 0.75000000000000 0.00000000000000 137.327 > 1 4 Ba 0.50000000000000 0.75000000000000 0.00000000000000 137.327 > 1 *5 Ba 0.25000000000000 0.00000000000000 0.50000000000000 137.327 > 2 6 Ba 0.75000000000000 0.00000000000000 0.50000000000000 137.327 > 2 7 Ba 0.25000000000000 0.50000000000000 0.50000000000000 137.327 > 2 8 Ba 0.75000000000000 0.50000000000000 0.50000000000000 137.327 > 2 9 Ba 0.25000000000000 0.00000000000000 0.00000000000000 137.327 > 1 10 Ba 0.75000000000000 0.00000000000000 0.00000000000000 137.327 > 1 11 Ba 0.25000000000000 0.50000000000000 0.00000000000000 137.327 > 1 12 Ba 0.75000000000000 0.50000000000000 0.00000000000000 137.327 > 1 13 Ba 0.00000000000000 0.25000000000000 0.50000000000000 137.327 > 2 14 Ba 0.50000000000000 0.25000000000000 0.50000000000000 137.327 > 2 15 Ba 0.00000000000000 0.75000000000000 0.50000000000000 137.327 > 2 16 Ba 0.50000000000000 0.75000000000000 0.50000000000000 137.327 > 2 *17 C 0.02180881092923 0.00000000000000 0.73248106898223 12.011 > 3 18 C 0.52180881092923 0.00000000000000 0.73248106898223 12.011 > 3 19 C 0.02180881092923 0.50000000000000 0.73248106898223 12.011 > 3 20 C 0.52180881092923 0.50000000000000 0.73248106898223 12.011 > 3 21 C 0.22819118907077 0.25000000000000 0.26751893101777 12.011 > 4 22 C 0.72819118907077 0.25000000000000 0.26751893101777 12.011 > 4 23 C 0.22819118907077 0.75000000000000 0.26751893101777 12.011 > 4 24 C 0.72819118907077 0.75000000000000 0.26751893101777 12.011 > 4 25 C 0.27180881092923 0.25000000000000 0.73248106898223 12.011 > 3 26 C 0.77180881092923 0.25000000000000 0.73248106898223 12.011 > 3 27 C 0.27180881092923 0.75000000000000 0.73248106898223 12.011 > 3 28 C 0.77180881092923 0.75000000000000 0.73248106898223 12.011 > 3 29 C 0.47819118907077 0.00000000000000 0.26751893101777 12.011 > 4 30 C 0.97819118907077 0.00000000000000 0.26751893101777 12.011 > 4 31 C 0.47819118907077 0.50000000000000 0.26751893101777 12.011 > 4 32 C 0.97819118907077 0.50000000000000 0.26751893101777 12.011 > 4 *33 O 0.18714991861438 0.35646025353075 0.19885840668551 15.999 > 5 34 O 0.68714991861438 0.35646025353075 0.19885840668551 15.999 > 5 35 O 0.18714991861438 0.85646025353075 0.19885840668551 15.999 > 5 36 O 0.68714991861438 0.85646025353075 0.19885840668551 15.999 > 5 37 O 0.43714991861438 0.39353974646925 0.19885840668551 15.999 > 6 38 O 0.93714991861438 0.39353974646925 0.19885840668551 15.999 > 6 39 O 0.43714991861438 0.89353974646925 0.19885840668551 15.999 > 6 40 O 0.93714991861438 0.89353974646925 0.19885840668551 15.999 > 6 *41 O 0.05646512952047 0.00000000000000 0.40391578580976 15.999 > 7 42 O 0.55646512952047 0.00000000000000 0.40391578580976 15.999 > 7 43 O 0.05646512952047 0.50000000000000 0.40391578580976 15.999 > 7 44 O 0.55646512952047 0.50000000000000 0.40391578580976 15.999 > 7 45 O 0.31285008138562 0.35646025353075 0.80114159331449 15.999 > 8 46 O 0.81285008138562 0.35646025353075 0.80114159331449 15.999 > 8 47 O 0.31285008138562 0.85646025353075 0.80114159331449 15.999 > 8 48 O 0.81285008138562 0.85646025353075 0.80114159331449 15.999 > 8 49 O 0.06285008138562 0.39353974646925 0.80114159331449 15.999 > 9 50 O 0.56285008138562 0.39353974646925 0.80114159331449 15.999 > 9 51 O 0.06285008138562 0.89353974646925 0.80114159331449 15.999 > 9 52 O 0.56285008138562 0.89353974646925 0.80114159331449 15.999 > 9 53 O 0.19353487047953 0.25000000000000 0.59608421419024 15.999 > 10 54 O 0.69353487047953 0.25000000000000 0.59608421419024 15.999 > 10 55 O 0.19353487047953 0.75000000000000 0.59608421419024 15.999 > 10 56 O 0.69353487047953 0.75000000000000 0.59608421419024 15.999 > 10 57 O 0.43714991861438 0.10646025353075 0.19885840668551 15.999 > 5 58 O 0.93714991861438 0.10646025353075 0.19885840668551 15.999 > 5 59 O 0.43714991861438 0.60646025353075 0.19885840668551 15.999 > 5 60 O 0.93714991861438 0.60646025353075 0.19885840668551 15.999 > 5 61 O 0.18714991861438 0.14353974646925 0.19885840668551 15.999 > 6 62 O 0.68714991861438 0.14353974646925 0.19885840668551 15.999 > 6 63 O 0.18714991861438 0.64353974646925 0.19885840668551 15.999 > 6 64 O 0.68714991861438 0.64353974646925 0.19885840668551 15.999 > 6 65 O 0.30646512952047 0.25000000000000 0.40391578580976 15.999 > 7 66 O 0.80646512952047 0.25000000000000 0.40391578580976 15.999 > 7 67 O 0.30646512952047 0.75000000000000 0.40391578580976 15.999 > 7 68 O 0.80646512952047 0.75000000000000 0.40391578580976 15.999 > 7 69 O 0.06285008138562 0.10646025353075 0.80114159331449 15.999 > 8 70 O 0.56285008138562 0.10646025353075 0.80114159331449 15.999 > 8 71 O 0.06285008138562 0.60646025353075 0.80114159331449 15.999 > 8 72 O 0.56285008138562 0.60646025353075 0.80114159331449 15.999 > 8 73 O 0.31285008138562 0.14353974646925 0.80114159331449 15.999 > 9 74 O 0.81285008138562 0.14353974646925 0.80114159331449 15.999 > 9 75 O 0.31285008138562 0.64353974646925 0.80114159331449 15.999 > 9 76 O 0.81285008138562 0.64353974646925 0.80114159331449 15.999 > 9 77 O 0.44353487047953 0.00000000000000 0.59608421419024 15.999 > 10 78 O 0.94353487047953 0.00000000000000 0.59608421419024 15.999 > 10 79 O 0.44353487047953 0.50000000000000 0.59608421419024 15.999 > 10 80 O 0.94353487047953 0.50000000000000 0.59608421419024 15.999 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6459692 0.0000000 0.2827325 0.0000000 2.9804274 0.0000000 0.2827341 0.0000000 2.8972084 -------------------------- Born effective charges -------------------------- 1 Ba 2.9032566 0.0000000 0.1353267 0.0000000 2.3644054 0.0000000 -0.0400177 0.0000000 2.8307938 2 Ba 2.6747628 0.0000000 0.0510403 0.0000000 2.8071195 0.0000000 0.2617799 0.0000000 2.5704458 3 C 0.9366050 0.0000000 1.3935157 0.0000000 3.1487058 0.0000000 1.4473245 0.0000000 2.3490909 4 C 0.9366050 0.0000000 1.3935157 0.0000000 3.1487058 0.0000000 1.4473245 0.0000000 2.3490909 5 O -1.0730646 0.1528990 -0.3199309 0.0839551 -2.2365121 0.4555069 -0.3039607 0.4633503 -1.5387290 6 O -1.0730646 -0.1528990 -0.3199309 -0.0839551 -2.2365121 -0.4555069 -0.3039607 -0.4633503 -1.5387290 7 O -1.5794854 0.0000000 -0.8468373 0.0000000 -1.2614440 0.0000000 -0.9502841 0.0000000 -1.9722527 8 O -1.0730646 -0.1528990 -0.3199309 -0.0839551 -2.2365121 -0.4555069 -0.3039607 -0.4633503 -1.5387290 9 O -1.0730646 0.1528990 -0.3199309 0.0839551 -2.2365121 0.4555069 -0.3039607 0.4633503 -1.5387290 10 O -1.5794854 0.0000000 -0.8468373 0.0000000 -1.2614440 0.0000000 -0.9502841 0.0000000 -1.9722527 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 4512/4512 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1013 Number of blocks in projector: 1013 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 162 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 147 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 147 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 147 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1013, 985), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (147, 142), data: True |-- (147, 142), data: True |-- (147, 142), data: True |-- (162, 160), data: True |-- (164, 162), data: True |-- (244, 235), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.745 Solver_block: 200 / 320 - Time: 0.751 Solver_block: 300 / 320 - Time: 0.752 Solver_block: 320 / 320 - Time: 0.188 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.453 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 4512/4512 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1013 Number of blocks in projector: 1013 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 162 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 147 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 147 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 147 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1013, 985), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (147, 142), data: True |-- (147, 142), data: True |-- (147, 142), data: True |-- (162, 160), data: True |-- (164, 162), data: True |-- (244, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:40:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:40:46]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.683976005647394 -2.637791955000000 0.000000000000000 b 3.683976005647394 2.637791955000000 0.000000000000000 c -3.511452508891895 0.000000000000000 8.018083220777363 Atomic positions (fractional): 1 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 2 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 3 C 0.04361762185845 0.04361762185845 0.73248106898223 12.011 4 C 0.95638237814155 0.95638237814155 0.26751893101777 12.011 5 O 0.66137933016725 0.08722034429026 0.19885840668551 15.999 6 O 0.08722034429026 0.66137933016725 0.19885840668551 15.999 7 O 0.11293025904094 0.11293025904094 0.40391578580976 15.999 8 O 0.91277965570974 0.33862066983275 0.80114159331449 15.999 9 O 0.33862066983275 0.91277965570974 0.80114159331449 15.999 10 O 0.88706974095906 0.88706974095906 0.59608421419024 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.735904022589576 0.000000000000000 0.000000000000000 b 0.000000000000000 10.551167819999998 0.000000000000000 c -3.511452508891895 0.000000000000000 8.018083220777363 Atomic positions (fractional): 1 Ba 0.00000000000000 0.25000000000000 0.00000000000000 137.327 > 1 2 Ba 0.50000000000000 0.25000000000000 0.00000000000000 137.327 > 1 3 Ba 0.00000000000000 0.75000000000000 0.00000000000000 137.327 > 1 4 Ba 0.50000000000000 0.75000000000000 0.00000000000000 137.327 > 1 5 Ba 0.25000000000000 0.00000000000000 0.50000000000000 137.327 > 5 6 Ba 0.75000000000000 0.00000000000000 0.50000000000000 137.327 > 5 7 Ba 0.25000000000000 0.50000000000000 0.50000000000000 137.327 > 5 8 Ba 0.75000000000000 0.50000000000000 0.50000000000000 137.327 > 5 9 Ba 0.25000000000000 0.00000000000000 0.00000000000000 137.327 > 1 10 Ba 0.75000000000000 0.00000000000000 0.00000000000000 137.327 > 1 11 Ba 0.25000000000000 0.50000000000000 0.00000000000000 137.327 > 1 12 Ba 0.75000000000000 0.50000000000000 0.00000000000000 137.327 > 1 13 Ba 0.00000000000000 0.25000000000000 0.50000000000000 137.327 > 5 14 Ba 0.50000000000000 0.25000000000000 0.50000000000000 137.327 > 5 15 Ba 0.00000000000000 0.75000000000000 0.50000000000000 137.327 > 5 16 Ba 0.50000000000000 0.75000000000000 0.50000000000000 137.327 > 5 17 C 0.02180881092923 0.00000000000000 0.73248106898223 12.011 > 17 18 C 0.52180881092923 0.00000000000000 0.73248106898223 12.011 > 17 19 C 0.02180881092923 0.50000000000000 0.73248106898223 12.011 > 17 20 C 0.52180881092923 0.50000000000000 0.73248106898223 12.011 > 17 21 C 0.22819118907077 0.25000000000000 0.26751893101777 12.011 > 21 22 C 0.72819118907077 0.25000000000000 0.26751893101777 12.011 > 21 23 C 0.22819118907077 0.75000000000000 0.26751893101777 12.011 > 21 24 C 0.72819118907077 0.75000000000000 0.26751893101777 12.011 > 21 25 C 0.27180881092923 0.25000000000000 0.73248106898223 12.011 > 17 26 C 0.77180881092923 0.25000000000000 0.73248106898223 12.011 > 17 27 C 0.27180881092923 0.75000000000000 0.73248106898223 12.011 > 17 28 C 0.77180881092923 0.75000000000000 0.73248106898223 12.011 > 17 29 C 0.47819118907077 0.00000000000000 0.26751893101777 12.011 > 21 30 C 0.97819118907077 0.00000000000000 0.26751893101777 12.011 > 21 31 C 0.47819118907077 0.50000000000000 0.26751893101777 12.011 > 21 32 C 0.97819118907077 0.50000000000000 0.26751893101777 12.011 > 21 33 O 0.18714991861438 0.35646025353075 0.19885840668551 15.999 > 33 34 O 0.68714991861438 0.35646025353075 0.19885840668551 15.999 > 33 35 O 0.18714991861438 0.85646025353075 0.19885840668551 15.999 > 33 36 O 0.68714991861438 0.85646025353075 0.19885840668551 15.999 > 33 37 O 0.43714991861438 0.39353974646925 0.19885840668551 15.999 > 37 38 O 0.93714991861438 0.39353974646925 0.19885840668551 15.999 > 37 39 O 0.43714991861438 0.89353974646925 0.19885840668551 15.999 > 37 40 O 0.93714991861438 0.89353974646925 0.19885840668551 15.999 > 37 41 O 0.05646512952047 0.00000000000000 0.40391578580976 15.999 > 41 42 O 0.55646512952047 0.00000000000000 0.40391578580976 15.999 > 41 43 O 0.05646512952047 0.50000000000000 0.40391578580976 15.999 > 41 44 O 0.55646512952047 0.50000000000000 0.40391578580976 15.999 > 41 45 O 0.31285008138562 0.35646025353075 0.80114159331449 15.999 > 45 46 O 0.81285008138562 0.35646025353075 0.80114159331449 15.999 > 45 47 O 0.31285008138562 0.85646025353075 0.80114159331449 15.999 > 45 48 O 0.81285008138562 0.85646025353075 0.80114159331449 15.999 > 45 49 O 0.06285008138562 0.39353974646925 0.80114159331449 15.999 > 49 50 O 0.56285008138562 0.39353974646925 0.80114159331449 15.999 > 49 51 O 0.06285008138562 0.89353974646925 0.80114159331449 15.999 > 49 52 O 0.56285008138562 0.89353974646925 0.80114159331449 15.999 > 49 53 O 0.19353487047953 0.25000000000000 0.59608421419024 15.999 > 53 54 O 0.69353487047953 0.25000000000000 0.59608421419024 15.999 > 53 55 O 0.19353487047953 0.75000000000000 0.59608421419024 15.999 > 53 56 O 0.69353487047953 0.75000000000000 0.59608421419024 15.999 > 53 57 O 0.43714991861438 0.10646025353075 0.19885840668551 15.999 > 33 58 O 0.93714991861438 0.10646025353075 0.19885840668551 15.999 > 33 59 O 0.43714991861438 0.60646025353075 0.19885840668551 15.999 > 33 60 O 0.93714991861438 0.60646025353075 0.19885840668551 15.999 > 33 61 O 0.18714991861438 0.14353974646925 0.19885840668551 15.999 > 37 62 O 0.68714991861438 0.14353974646925 0.19885840668551 15.999 > 37 63 O 0.18714991861438 0.64353974646925 0.19885840668551 15.999 > 37 64 O 0.68714991861438 0.64353974646925 0.19885840668551 15.999 > 37 65 O 0.30646512952047 0.25000000000000 0.40391578580976 15.999 > 41 66 O 0.80646512952047 0.25000000000000 0.40391578580976 15.999 > 41 67 O 0.30646512952047 0.75000000000000 0.40391578580976 15.999 > 41 68 O 0.80646512952047 0.75000000000000 0.40391578580976 15.999 > 41 69 O 0.06285008138562 0.10646025353075 0.80114159331449 15.999 > 45 70 O 0.56285008138562 0.10646025353075 0.80114159331449 15.999 > 45 71 O 0.06285008138562 0.60646025353075 0.80114159331449 15.999 > 45 72 O 0.56285008138562 0.60646025353075 0.80114159331449 15.999 > 45 73 O 0.31285008138562 0.14353974646925 0.80114159331449 15.999 > 49 74 O 0.81285008138562 0.14353974646925 0.80114159331449 15.999 > 49 75 O 0.31285008138562 0.64353974646925 0.80114159331449 15.999 > 49 76 O 0.81285008138562 0.64353974646925 0.80114159331449 15.999 > 49 77 O 0.44353487047953 0.00000000000000 0.59608421419024 15.999 > 53 78 O 0.94353487047953 0.00000000000000 0.59608421419024 15.999 > 53 79 O 0.44353487047953 0.50000000000000 0.59608421419024 15.999 > 53 80 O 0.94353487047953 0.50000000000000 0.59608421419024 15.999 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6459692 0.0000000 0.2827325 0.0000000 2.9804274 0.0000000 0.2827341 0.0000000 2.8972084 -------------------------- Born effective charges -------------------------- 1 Ba 2.9032566 0.0000000 0.1353267 0.0000000 2.3644054 0.0000000 -0.0400177 0.0000000 2.8307938 2 Ba 2.6747628 0.0000000 0.0510403 0.0000000 2.8071195 0.0000000 0.2617799 0.0000000 2.5704458 3 C 0.9366050 0.0000000 1.3935157 0.0000000 3.1487058 0.0000000 1.4473245 0.0000000 2.3490909 4 C 0.9366050 0.0000000 1.3935157 0.0000000 3.1487058 0.0000000 1.4473245 0.0000000 2.3490909 5 O -1.0730646 0.1528990 -0.3199309 0.0839551 -2.2365121 0.4555069 -0.3039607 0.4633503 -1.5387290 6 O -1.0730646 -0.1528990 -0.3199309 -0.0839551 -2.2365121 -0.4555069 -0.3039607 -0.4633503 -1.5387290 7 O -1.5794854 0.0000000 -0.8468373 0.0000000 -1.2614440 0.0000000 -0.9502841 0.0000000 -1.9722527 8 O -1.0730646 -0.1528990 -0.3199309 -0.0839551 -2.2365121 -0.4555069 -0.3039607 -0.4633503 -1.5387290 9 O -1.0730646 0.1528990 -0.3199309 0.0839551 -2.2365121 0.4555069 -0.3039607 0.4633503 -1.5387290 10 O -1.5794854 0.0000000 -0.8468373 0.0000000 -1.2614440 0.0000000 -0.9502841 0.0000000 -1.9722527 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000029 (yxy) -0.00000029 (yxy) -0.00000029 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) 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 21:40:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:40:56]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.683976005647394 -2.637791955000000 0.000000000000000 b 3.683976005647394 2.637791955000000 0.000000000000000 c -3.511452508891895 0.000000000000000 8.018083220777363 Atomic positions (fractional): 1 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 2 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 3 C 0.04361762185845 0.04361762185845 0.73248106898223 12.011 4 C 0.95638237814155 0.95638237814155 0.26751893101777 12.011 5 O 0.66137933016725 0.08722034429026 0.19885840668551 15.999 6 O 0.08722034429026 0.66137933016725 0.19885840668551 15.999 7 O 0.11293025904094 0.11293025904094 0.40391578580976 15.999 8 O 0.91277965570974 0.33862066983275 0.80114159331449 15.999 9 O 0.33862066983275 0.91277965570974 0.80114159331449 15.999 10 O 0.88706974095906 0.88706974095906 0.59608421419024 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.735904022589576 0.000000000000000 0.000000000000000 b 0.000000000000000 10.551167819999998 0.000000000000000 c -3.511452508891895 0.000000000000000 8.018083220777363 Atomic positions (fractional): 1 Ba 0.00000000000000 0.25000000000000 0.00000000000000 137.327 > 1 2 Ba 0.50000000000000 0.25000000000000 0.00000000000000 137.327 > 1 3 Ba 0.00000000000000 0.75000000000000 0.00000000000000 137.327 > 1 4 Ba 0.50000000000000 0.75000000000000 0.00000000000000 137.327 > 1 5 Ba 0.25000000000000 0.00000000000000 0.50000000000000 137.327 > 5 6 Ba 0.75000000000000 0.00000000000000 0.50000000000000 137.327 > 5 7 Ba 0.25000000000000 0.50000000000000 0.50000000000000 137.327 > 5 8 Ba 0.75000000000000 0.50000000000000 0.50000000000000 137.327 > 5 9 Ba 0.25000000000000 0.00000000000000 0.00000000000000 137.327 > 1 10 Ba 0.75000000000000 0.00000000000000 0.00000000000000 137.327 > 1 11 Ba 0.25000000000000 0.50000000000000 0.00000000000000 137.327 > 1 12 Ba 0.75000000000000 0.50000000000000 0.00000000000000 137.327 > 1 13 Ba 0.00000000000000 0.25000000000000 0.50000000000000 137.327 > 5 14 Ba 0.50000000000000 0.25000000000000 0.50000000000000 137.327 > 5 15 Ba 0.00000000000000 0.75000000000000 0.50000000000000 137.327 > 5 16 Ba 0.50000000000000 0.75000000000000 0.50000000000000 137.327 > 5 17 C 0.02180881092923 0.00000000000000 0.73248106898223 12.011 > 17 18 C 0.52180881092923 0.00000000000000 0.73248106898223 12.011 > 17 19 C 0.02180881092923 0.50000000000000 0.73248106898223 12.011 > 17 20 C 0.52180881092923 0.50000000000000 0.73248106898223 12.011 > 17 21 C 0.22819118907077 0.25000000000000 0.26751893101777 12.011 > 21 22 C 0.72819118907077 0.25000000000000 0.26751893101777 12.011 > 21 23 C 0.22819118907077 0.75000000000000 0.26751893101777 12.011 > 21 24 C 0.72819118907077 0.75000000000000 0.26751893101777 12.011 > 21 25 C 0.27180881092923 0.25000000000000 0.73248106898223 12.011 > 17 26 C 0.77180881092923 0.25000000000000 0.73248106898223 12.011 > 17 27 C 0.27180881092923 0.75000000000000 0.73248106898223 12.011 > 17 28 C 0.77180881092923 0.75000000000000 0.73248106898223 12.011 > 17 29 C 0.47819118907077 0.00000000000000 0.26751893101777 12.011 > 21 30 C 0.97819118907077 0.00000000000000 0.26751893101777 12.011 > 21 31 C 0.47819118907077 0.50000000000000 0.26751893101777 12.011 > 21 32 C 0.97819118907077 0.50000000000000 0.26751893101777 12.011 > 21 33 O 0.18714991861438 0.35646025353075 0.19885840668551 15.999 > 33 34 O 0.68714991861438 0.35646025353075 0.19885840668551 15.999 > 33 35 O 0.18714991861438 0.85646025353075 0.19885840668551 15.999 > 33 36 O 0.68714991861438 0.85646025353075 0.19885840668551 15.999 > 33 37 O 0.43714991861438 0.39353974646925 0.19885840668551 15.999 > 37 38 O 0.93714991861438 0.39353974646925 0.19885840668551 15.999 > 37 39 O 0.43714991861438 0.89353974646925 0.19885840668551 15.999 > 37 40 O 0.93714991861438 0.89353974646925 0.19885840668551 15.999 > 37 41 O 0.05646512952047 0.00000000000000 0.40391578580976 15.999 > 41 42 O 0.55646512952047 0.00000000000000 0.40391578580976 15.999 > 41 43 O 0.05646512952047 0.50000000000000 0.40391578580976 15.999 > 41 44 O 0.55646512952047 0.50000000000000 0.40391578580976 15.999 > 41 45 O 0.31285008138562 0.35646025353075 0.80114159331449 15.999 > 45 46 O 0.81285008138562 0.35646025353075 0.80114159331449 15.999 > 45 47 O 0.31285008138562 0.85646025353075 0.80114159331449 15.999 > 45 48 O 0.81285008138562 0.85646025353075 0.80114159331449 15.999 > 45 49 O 0.06285008138562 0.39353974646925 0.80114159331449 15.999 > 49 50 O 0.56285008138562 0.39353974646925 0.80114159331449 15.999 > 49 51 O 0.06285008138562 0.89353974646925 0.80114159331449 15.999 > 49 52 O 0.56285008138562 0.89353974646925 0.80114159331449 15.999 > 49 53 O 0.19353487047953 0.25000000000000 0.59608421419024 15.999 > 53 54 O 0.69353487047953 0.25000000000000 0.59608421419024 15.999 > 53 55 O 0.19353487047953 0.75000000000000 0.59608421419024 15.999 > 53 56 O 0.69353487047953 0.75000000000000 0.59608421419024 15.999 > 53 57 O 0.43714991861438 0.10646025353075 0.19885840668551 15.999 > 33 58 O 0.93714991861438 0.10646025353075 0.19885840668551 15.999 > 33 59 O 0.43714991861438 0.60646025353075 0.19885840668551 15.999 > 33 60 O 0.93714991861438 0.60646025353075 0.19885840668551 15.999 > 33 61 O 0.18714991861438 0.14353974646925 0.19885840668551 15.999 > 37 62 O 0.68714991861438 0.14353974646925 0.19885840668551 15.999 > 37 63 O 0.18714991861438 0.64353974646925 0.19885840668551 15.999 > 37 64 O 0.68714991861438 0.64353974646925 0.19885840668551 15.999 > 37 65 O 0.30646512952047 0.25000000000000 0.40391578580976 15.999 > 41 66 O 0.80646512952047 0.25000000000000 0.40391578580976 15.999 > 41 67 O 0.30646512952047 0.75000000000000 0.40391578580976 15.999 > 41 68 O 0.80646512952047 0.75000000000000 0.40391578580976 15.999 > 41 69 O 0.06285008138562 0.10646025353075 0.80114159331449 15.999 > 45 70 O 0.56285008138562 0.10646025353075 0.80114159331449 15.999 > 45 71 O 0.06285008138562 0.60646025353075 0.80114159331449 15.999 > 45 72 O 0.56285008138562 0.60646025353075 0.80114159331449 15.999 > 45 73 O 0.31285008138562 0.14353974646925 0.80114159331449 15.999 > 49 74 O 0.81285008138562 0.14353974646925 0.80114159331449 15.999 > 49 75 O 0.31285008138562 0.64353974646925 0.80114159331449 15.999 > 49 76 O 0.81285008138562 0.64353974646925 0.80114159331449 15.999 > 49 77 O 0.44353487047953 0.00000000000000 0.59608421419024 15.999 > 53 78 O 0.94353487047953 0.00000000000000 0.59608421419024 15.999 > 53 79 O 0.44353487047953 0.50000000000000 0.59608421419024 15.999 > 53 80 O 0.94353487047953 0.50000000000000 0.59608421419024 15.999 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6459692 0.0000000 0.2827325 0.0000000 2.9804274 0.0000000 0.2827341 0.0000000 2.8972084 -------------------------- Born effective charges -------------------------- 1 Ba 2.9032566 0.0000000 0.1353267 0.0000000 2.3644054 0.0000000 -0.0400177 0.0000000 2.8307938 2 Ba 2.6747628 0.0000000 0.0510403 0.0000000 2.8071195 0.0000000 0.2617799 0.0000000 2.5704458 3 C 0.9366050 0.0000000 1.3935157 0.0000000 3.1487058 0.0000000 1.4473245 0.0000000 2.3490909 4 C 0.9366050 0.0000000 1.3935157 0.0000000 3.1487058 0.0000000 1.4473245 0.0000000 2.3490909 5 O -1.0730646 0.1528990 -0.3199309 0.0839551 -2.2365121 0.4555069 -0.3039607 0.4633503 -1.5387290 6 O -1.0730646 -0.1528990 -0.3199309 -0.0839551 -2.2365121 -0.4555069 -0.3039607 -0.4633503 -1.5387290 7 O -1.5794854 0.0000000 -0.8468373 0.0000000 -1.2614440 0.0000000 -0.9502841 0.0000000 -1.9722527 8 O -1.0730646 -0.1528990 -0.3199309 -0.0839551 -2.2365121 -0.4555069 -0.3039607 -0.4633503 -1.5387290 9 O -1.0730646 0.1528990 -0.3199309 0.0839551 -2.2365121 0.4555069 -0.3039607 0.4633503 -1.5387290 10 O -1.5794854 0.0000000 -0.8468373 0.0000000 -1.2614440 0.0000000 -0.9502841 0.0000000 -1.9722527 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000029 (yxy) -0.00000029 (yxy) -0.00000029 (yyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 6 ] 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: 0.77, Number of G-points: 309, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/242) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 3.347 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.081 ( 0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 6.100 ( 0.000 0.000 0.000) 0.000 6.172 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 8.453 ( 0.000 0.000 0.000) 0.000 19.687 ( 0.000 0.000 0.000) 0.000 19.768 ( 0.000 0.000 0.000) 0.000 20.029 ( 0.000 0.000 0.000) 0.000 20.162 ( 0.000 0.000 0.000) 0.000 24.805 ( 0.000 0.000 0.000) 0.000 24.823 ( 0.000 0.000 0.000) 0.000 31.684 ( 0.000 0.000 0.000) 0.000 31.753 ( 0.000 0.000 0.000) 0.000 40.797 ( 0.000 0.000 0.000) 0.000 41.536 ( 0.000 0.000 0.000) 0.000 42.842 ( 0.000 0.000 0.000) 0.000 45.482 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/242) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 9.879 -18.476 -2.134) 21.060 0.592 ( 19.985 -19.600 8.391) 29.223 0.977 ( 24.847 -35.468 22.067) 48.603 2.001 ( 0.029 -2.745 -2.950) 4.030 2.147 ( 6.961 -3.494 -0.871) 7.838 3.065 ( -19.021 -20.904 -13.507) 31.324 3.332 ( -2.609 1.107 -0.884) 2.969 3.774 ( -5.062 3.476 7.501) 9.694 4.054 ( 2.072 2.653 -5.771) 6.681 4.445 ( -2.015 0.231 1.799) 2.711 4.589 ( -1.518 -10.341 -0.727) 10.477 5.018 ( 0.082 3.491 -0.070) 3.493 5.160 ( 7.368 5.553 -2.622) 9.592 5.817 ( -19.588 -10.704 -13.150) 25.908 6.069 ( -2.774 1.554 -0.864) 3.295 6.264 ( 9.130 -4.804 -8.363) 13.281 7.698 ( 23.221 29.527 20.810) 42.943 8.416 ( -3.178 2.354 -0.089) 3.956 19.724 ( -1.904 -2.283 -3.318) 4.455 19.801 ( 0.028 -2.724 1.737) 3.231 20.033 ( -0.338 2.906 3.396) 4.483 20.169 ( 1.381 0.073 -0.613) 1.513 24.813 ( 1.350 0.773 -2.410) 2.868 24.832 ( 1.726 0.716 -0.092) 1.871 31.682 ( -0.194 0.206 0.078) 0.294 31.745 ( -0.112 0.950 0.239) 0.986 41.570 ( -0.362 -5.215 -2.558) 5.819 41.908 ( -51.665 -60.163 -61.657) 100.452 44.675 ( -7.451 33.519 118.433) 123.310 45.353 ( -7.990 9.049 -3.499) 12.568 ======================= Grid point 2 (3/242) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 9.439 -16.507 -1.863) 19.106 1.135 ( 15.642 -17.627 8.111) 24.923 1.873 ( 23.136 -30.139 17.272) 41.737 2.014 ( 0.950 -1.064 -5.009) 5.209 2.336 ( 10.769 -6.962 -1.270) 12.886 3.117 ( -10.036 -11.330 -11.103) 18.772 3.222 ( -8.089 0.711 -3.996) 9.050 3.708 ( -5.076 -0.705 -2.317) 5.624 3.991 ( -2.225 3.380 0.820) 4.129 4.438 ( 0.466 1.105 2.201) 2.506 4.743 ( -0.038 -9.087 -0.375) 9.095 4.955 ( 2.281 5.155 1.033) 5.731 5.142 ( -0.832 -0.066 -1.511) 1.726 5.723 ( -10.631 -3.358 1.503) 11.250 5.989 ( -5.289 1.827 -0.579) 5.625 6.401 ( 11.339 -2.402 -7.048) 13.565 7.558 ( 3.803 16.043 7.565) 18.141 8.312 ( -5.751 4.022 -0.507) 7.037 19.732 ( -0.736 -1.802 -0.863) 2.129 19.853 ( -0.264 -3.490 -1.098) 3.669 20.002 ( -0.643 2.211 3.937) 4.560 20.181 ( 1.777 0.061 -1.701) 2.460 24.805 ( 0.532 0.428 -1.234) 1.410 24.837 ( 0.843 0.490 0.372) 1.044 31.673 ( -0.629 0.706 0.714) 1.185 31.727 ( 0.237 1.181 -0.329) 1.249 41.659 ( -0.781 -8.521 -3.622) 9.292 41.993 ( -22.681 -30.377 -23.793) 44.758 44.642 ( -3.392 16.211 52.046) 54.618 45.006 ( -13.521 15.326 -6.267) 21.377 ======================= Grid point 3 (4/242) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 8.396 -13.353 -2.268) 15.936 1.535 ( 5.479 -11.297 4.839) 13.456 2.023 ( 2.627 -2.433 -6.313) 7.257 2.484 ( 6.051 -8.596 -8.351) 13.425 2.617 ( 15.429 -15.803 6.476) 23.016 3.045 ( -1.770 -3.407 1.926) 4.295 3.208 ( -6.891 -7.093 -6.748) 11.972 3.649 ( -1.392 0.693 -5.057) 5.290 3.919 ( -4.689 2.145 4.900) 7.113 4.431 ( -0.450 2.063 2.944) 3.623 4.792 ( -1.145 0.577 -2.151) 2.504 4.986 ( 4.465 -2.319 0.551) 5.062 5.132 ( -3.839 -2.419 0.755) 4.600 5.702 ( -3.883 -2.861 2.853) 5.604 5.905 ( -7.212 -0.181 2.092) 7.511 6.532 ( 12.763 -1.277 -5.857) 14.100 7.369 ( -4.061 10.434 3.205) 11.646 8.162 ( -7.320 4.760 -0.962) 8.785 19.751 ( -0.521 -1.215 1.478) 1.982 19.890 ( -0.227 -3.227 -4.019) 5.160 19.993 ( -0.499 1.254 5.459) 5.624 20.191 ( 1.726 -0.220 -2.785) 3.284 24.800 ( 0.345 0.339 -0.532) 0.719 24.838 ( 0.357 0.438 0.267) 0.625 31.654 ( -0.915 1.336 2.254) 2.776 31.712 ( 0.564 0.694 -1.764) 1.978 41.772 ( -1.240 -8.760 -2.804) 9.281 42.110 ( -12.364 -19.730 -9.962) 25.325 44.523 ( -12.645 15.879 -8.371) 21.957 44.629 ( -3.499 10.455 27.917) 30.015 ======================= Grid point 4 (5/242) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 3.658 -8.164 -5.476) 10.489 1.609 ( -7.705 -1.845 -3.852) 8.810 2.089 ( 3.381 -2.807 -8.033) 9.156 2.483 ( -3.787 -4.959 -9.469) 11.340 2.925 ( 9.738 -5.411 3.436) 11.658 3.120 ( -4.560 1.516 -5.437) 7.256 3.391 ( 12.463 -14.250 12.201) 22.522 3.607 ( 0.496 1.580 -6.546) 6.752 3.890 ( -3.037 -1.947 4.551) 5.807 4.373 ( -3.531 4.402 3.811) 6.809 4.763 ( 0.756 0.758 -2.137) 2.390 5.018 ( 0.811 2.020 -2.833) 3.573 5.158 ( -2.571 -4.546 1.838) 5.536 5.751 ( -0.927 -4.230 4.000) 5.895 5.863 ( -5.579 -2.172 2.823) 6.619 6.668 ( 12.609 -0.407 -4.698) 13.462 7.193 ( -6.288 4.932 1.553) 8.141 7.996 ( -7.628 4.664 -0.977) 8.994 19.770 ( -0.501 -0.511 2.741) 2.833 19.920 ( 0.434 -2.911 -3.059) 4.245 19.994 ( -0.696 0.924 3.834) 4.004 20.198 ( 1.275 -0.437 -3.318) 3.582 24.797 ( 0.296 0.270 -0.037) 0.403 24.835 ( 0.025 0.359 0.010) 0.360 31.638 ( -0.538 1.327 3.590) 3.865 31.698 ( 0.297 0.312 -3.093) 3.123 41.868 ( -1.607 -6.276 -1.080) 6.568 42.228 ( -6.937 -13.019 -3.726) 15.215 44.075 ( -11.919 14.116 -9.917) 20.968 44.616 ( 0.008 4.911 16.614) 17.324 ======================= Grid point 5 (6/242) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -10.824 0.090 -12.832) 16.788 1.570 ( -0.049 -1.902 -0.805) 2.066 2.076 ( 0.079 -0.165 -7.136) 7.139 2.539 ( 0.082 -4.550 0.245) 4.558 3.007 ( -1.007 1.757 -4.103) 4.576 3.125 ( 6.288 -3.612 4.343) 8.452 3.517 ( -1.631 4.676 -2.912) 5.745 3.763 ( 7.141 -10.568 6.172) 14.169 3.943 ( 1.426 -2.703 0.155) 3.060 4.273 ( -3.423 4.310 2.792) 6.172 4.757 ( 0.376 0.134 -0.655) 0.767 4.952 ( -1.330 2.915 -2.794) 4.251 5.208 ( -0.304 -2.807 0.053) 2.824 5.828 ( -5.791 -3.473 14.943) 16.398 5.867 ( 2.906 -1.897 -9.329) 9.953 6.747 ( 5.974 2.079 -2.551) 6.820 7.120 ( -1.644 -0.992 0.482) 1.979 7.847 ( -5.779 3.424 -0.531) 6.738 19.783 ( -0.275 -0.110 2.214) 2.234 19.957 ( -0.032 -2.696 -1.784) 3.233 19.986 ( 0.069 1.424 2.257) 2.669 20.200 ( 0.561 -0.311 -2.515) 2.595 24.797 ( 0.222 0.157 0.166) 0.318 24.829 ( -0.110 0.205 -0.138) 0.271 31.638 ( 0.038 0.841 4.427) 4.506 31.677 ( -0.155 0.057 -4.105) 4.108 41.920 ( -1.327 -2.874 0.011) 3.166 42.318 ( -3.183 -6.822 -1.124) 7.611 43.751 ( -6.492 7.942 -6.144) 11.957 44.626 ( 0.510 1.915 7.499) 7.756 ======================= Grid point 6 (7/242) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 0.000 -0.000 -0.000) 0.000 1.587 ( 0.000 -0.000 -0.000) 0.000 2.060 ( 0.000 -0.000 0.000) 0.000 2.577 ( 0.000 -0.000 0.000) 0.000 2.980 ( 0.000 -0.000 -0.000) 0.000 3.221 ( 0.000 0.000 -0.000) 0.000 3.441 ( 0.000 -0.000 0.000) 0.000 3.925 ( 0.000 0.000 -0.000) 0.000 3.961 ( -0.000 -0.000 0.000) 0.000 4.221 ( 0.000 -0.000 0.000) 0.000 4.757 ( 0.000 -0.000 -0.000) 0.000 4.907 ( 0.000 -0.000 -0.000) 0.000 5.231 ( 0.000 -0.000 0.000) 0.000 5.860 ( 0.000 -0.000 -0.000) 0.000 5.880 ( -0.000 -0.000 0.000) 0.000 6.747 ( 0.000 -0.000 0.000) 0.000 7.136 ( 0.000 -0.000 0.000) 0.000 7.780 ( 0.000 -0.000 0.000) 0.000 19.788 ( 0.000 -0.000 0.000) 0.000 19.977 ( 0.000 0.000 0.000) 0.000 19.979 ( -0.000 -0.000 -0.000) 0.000 20.198 ( 0.000 -0.000 0.000) 0.000 24.798 ( 0.000 -0.000 0.000) 0.000 24.826 ( 0.000 -0.000 -0.000) 0.000 31.654 ( -0.000 -0.000 -0.000) 0.000 31.655 ( 0.000 0.000 0.000) 0.000 41.934 ( 0.000 -0.000 0.000) 0.000 42.352 ( 0.000 -0.000 0.000) 0.000 43.634 ( 0.000 -0.000 0.000) 0.000 44.634 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/242) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 18.180 0.000 4.985) 18.851 0.490 ( 14.696 0.000 14.627) 20.735 1.354 ( 43.051 0.000 28.406) 51.578 1.995 ( 5.732 0.000 -2.823) 6.389 2.200 ( 10.207 0.000 -2.676) 10.552 2.764 ( 2.772 0.000 2.903) 4.014 3.326 ( -2.210 -0.000 1.776) 2.835 3.663 ( -20.956 -0.000 2.318) 21.084 4.074 ( 3.041 0.000 -12.145) 12.520 4.348 ( 1.794 0.000 -2.028) 2.708 4.581 ( 3.460 0.000 3.043) 4.608 4.966 ( -6.302 -0.000 -0.592) 6.330 5.391 ( 0.467 0.000 -1.010) 1.113 5.458 ( 2.831 0.000 -15.225) 15.486 6.036 ( -6.102 -0.000 0.931) 6.173 6.303 ( 8.091 0.000 5.247) 9.644 8.028 ( -18.318 -0.000 -0.133) 18.319 8.455 ( 0.844 0.000 -6.965) 7.016 19.682 ( 0.125 0.000 -0.795) 0.805 19.777 ( 0.224 0.000 0.810) 0.841 20.079 ( -1.357 -0.000 3.629) 3.875 20.185 ( 1.605 0.000 -1.068) 1.928 24.819 ( 0.540 0.000 -1.640) 1.727 24.859 ( 1.742 0.000 -3.133) 3.585 31.683 ( -0.055 -0.000 0.030) 0.063 31.753 ( -0.207 -0.000 0.437) 0.483 40.846 ( 3.396 0.000 2.015) 3.949 41.554 ( 2.377 0.000 -1.959) 3.080 45.135 ( -42.334 -0.000 78.777) 89.431 45.284 ( -18.908 -0.000 8.599) 20.771 ======================= Grid point 15 (9/242) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 15.614 -7.886 2.885) 17.729 0.989 ( 12.109 -22.465 9.143) 27.109 1.957 ( 17.598 -3.213 10.288) 20.637 2.074 ( 18.962 -4.909 4.940) 20.201 2.356 ( 12.606 -4.401 -3.336) 13.763 2.873 ( 0.264 -7.676 -0.209) 7.683 3.189 ( -7.209 8.845 -2.825) 11.755 3.550 ( -10.145 -7.840 1.244) 12.881 4.019 ( -0.375 2.877 -5.052) 5.826 4.410 ( 0.447 -4.377 -1.229) 4.568 4.644 ( 1.742 -3.492 -0.429) 3.926 4.908 ( -7.818 -2.902 1.617) 8.495 5.254 ( 2.944 8.868 -3.693) 10.047 5.543 ( -3.701 -7.789 -2.741) 9.049 5.942 ( -8.688 1.516 1.180) 8.898 6.457 ( 9.221 -2.608 3.921) 10.354 7.717 ( -18.027 8.575 -0.837) 19.980 8.351 ( -1.162 6.495 -5.721) 8.733 19.695 ( 0.304 -1.605 -0.734) 1.790 19.799 ( -0.306 -1.967 -0.234) 2.005 20.067 ( 0.413 2.564 4.330) 5.049 20.192 ( 1.211 0.198 -1.981) 2.330 24.814 ( 0.749 0.459 -1.366) 1.625 24.857 ( 0.694 0.629 -0.492) 1.058 31.681 ( 0.193 0.400 -0.006) 0.444 31.744 ( -0.367 0.939 0.627) 1.188 41.159 ( -3.700 -27.329 -5.553) 28.131 41.620 ( 2.810 -5.894 -1.839) 6.784 44.909 ( -20.578 8.271 9.859) 24.271 45.037 ( -22.845 10.793 32.876) 41.463 ======================= Grid point 16 (10/242) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 11.923 -9.876 0.554) 15.492 1.452 ( 8.975 -13.235 5.026) 16.762 1.983 ( 2.005 -0.464 -6.998) 7.294 2.355 ( 0.329 -3.933 -13.924) 14.473 2.686 ( 20.229 -8.741 12.120) 25.150 2.991 ( -2.461 -8.369 -3.929) 9.567 3.067 ( 6.134 0.030 6.258) 8.763 3.592 ( -2.082 -4.386 0.994) 4.956 3.933 ( -3.090 3.464 -0.419) 4.661 4.454 ( -0.090 -0.476 1.782) 1.846 4.712 ( -1.517 -4.906 -2.521) 5.721 4.912 ( -6.323 -6.602 3.347) 9.735 5.149 ( 2.050 5.654 -3.962) 7.202 5.605 ( -2.332 -5.511 -0.224) 5.989 5.826 ( -9.820 0.207 3.030) 10.279 6.611 ( 9.061 -2.201 1.295) 9.414 7.384 ( -18.670 6.124 -1.281) 19.690 8.193 ( -2.348 7.283 -4.849) 9.059 19.728 ( 0.334 -2.031 0.529) 2.125 19.823 ( -0.341 -2.412 -2.262) 3.324 20.058 ( 0.965 2.718 5.522) 6.230 20.190 ( 0.917 -0.019 -2.897) 3.039 24.810 ( 0.749 0.502 -0.692) 1.136 24.851 ( 0.087 0.597 0.155) 0.622 31.675 ( 0.318 0.823 0.523) 1.026 31.724 ( -0.439 1.266 0.226) 1.359 41.467 ( -3.215 -20.477 -6.502) 21.724 41.778 ( 1.232 -11.135 0.463) 11.212 44.517 ( -16.860 11.610 -12.749) 24.116 44.829 ( -15.278 8.653 30.425) 35.128 ======================= Grid point 17 (11/242) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 3.988 -4.789 -4.137) 7.480 1.577 ( 3.335 2.415 -1.981) 4.569 2.048 ( 4.598 -3.513 -7.591) 9.545 2.331 ( 0.400 -6.554 -8.128) 10.449 2.959 ( 2.212 -4.781 0.199) 5.271 3.052 ( 3.969 -2.863 1.227) 5.045 3.347 ( 8.911 -11.812 9.203) 17.425 3.640 ( 3.631 0.821 -1.767) 4.121 3.863 ( -2.795 0.124 3.592) 4.553 4.434 ( -1.377 3.735 4.295) 5.855 4.731 ( -2.424 -2.238 -1.098) 3.477 4.993 ( -2.468 -8.130 -2.207) 8.778 5.072 ( -0.958 2.828 -3.426) 4.544 5.662 ( -3.015 -5.431 1.949) 6.511 5.776 ( -5.862 -3.296 3.429) 7.549 6.742 ( 6.760 -2.168 -0.860) 7.151 7.109 ( -17.629 1.187 0.027) 17.669 8.031 ( -1.589 7.390 -3.832) 8.474 19.765 ( 0.117 -1.377 2.036) 2.461 19.849 ( -0.494 -3.148 -3.206) 4.520 20.054 ( 1.065 2.627 5.060) 5.800 20.187 ( 0.895 -0.299 -3.206) 3.342 24.808 ( 0.625 0.482 -0.089) 0.794 24.841 ( -0.210 0.548 0.037) 0.588 31.669 ( 0.475 0.909 1.025) 1.450 31.698 ( -0.583 1.290 -0.354) 1.459 41.679 ( -1.010 -13.034 -4.412) 13.797 41.985 ( 0.113 -12.446 2.835) 12.765 44.095 ( -11.958 12.049 -11.686) 20.609 44.702 ( -10.579 3.753 15.803) 19.384 ======================= Grid point 18 (12/242) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 2.981 2.901 -2.143) 4.679 1.617 ( 8.574 1.421 -0.751) 8.724 2.055 ( 2.669 0.378 -7.541) 8.008 2.483 ( 4.459 -6.766 1.050) 8.171 2.968 ( -2.221 -1.639 -3.835) 4.725 3.180 ( 5.537 -1.417 6.018) 8.299 3.571 ( -2.116 6.037 -2.377) 6.824 3.625 ( -0.549 -12.521 4.839) 13.435 3.925 ( 2.899 -3.430 0.296) 4.501 4.368 ( 0.272 5.901 5.053) 7.774 4.733 ( -1.882 -1.593 -0.509) 2.517 4.966 ( -0.540 3.151 -6.962) 7.661 5.104 ( -1.893 -7.711 -2.188) 8.236 5.741 ( -5.361 -6.617 9.641) 12.863 5.804 ( -0.089 -4.062 -5.160) 6.568 6.757 ( -6.548 0.359 -0.992) 6.632 7.017 ( -6.214 -6.100 2.005) 8.936 7.900 ( 1.536 6.606 -2.429) 7.204 19.790 ( -0.122 -0.266 2.136) 2.156 19.877 ( -1.219 -3.473 -2.728) 4.581 20.049 ( 1.332 2.187 2.985) 3.933 20.190 ( 1.058 -0.336 -1.936) 2.232 24.807 ( 0.321 0.502 0.255) 0.648 24.831 ( -0.145 0.332 -0.193) 0.411 31.659 ( -0.046 0.628 -3.242) 3.303 31.677 ( -0.056 1.113 3.610) 3.778 41.817 ( -0.402 -7.657 -2.216) 7.982 42.189 ( 1.665 -9.699 4.013) 10.628 43.785 ( -4.963 8.478 -6.875) 11.990 44.617 ( -8.980 -0.210 4.881) 10.223 ======================= Grid point 19 (13/242) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 14.831 1.869 11.985) 19.160 1.669 ( 9.247 4.072 -1.138) 10.168 2.062 ( 2.280 -0.750 -1.160) 2.665 2.596 ( 3.604 -1.046 1.464) 4.029 2.963 ( -0.921 -1.121 -0.404) 1.506 3.239 ( -0.928 2.152 2.690) 3.567 3.445 ( -2.982 1.912 0.448) 3.571 3.791 ( -3.920 -8.852 1.002) 9.733 3.954 ( -1.821 -0.540 -4.621) 4.996 4.321 ( 3.756 5.616 4.165) 7.937 4.732 ( -2.050 -1.335 -0.180) 2.452 4.907 ( 0.932 0.499 -3.328) 3.492 5.177 ( -0.610 -4.860 -4.266) 6.495 5.816 ( 3.722 -4.163 -13.292) 14.418 5.843 ( -6.159 -3.703 11.877) 13.882 6.666 ( -10.460 -2.329 1.657) 10.844 7.067 ( -5.516 -5.116 2.254) 7.854 7.852 ( 6.791 3.773 -1.225) 7.865 19.792 ( -0.209 0.409 0.402) 0.611 19.903 ( -1.262 -2.973 -1.676) 3.639 20.042 ( 1.253 1.819 0.990) 2.421 20.201 ( 0.789 -0.092 0.486) 0.931 24.801 ( -0.051 0.435 0.123) 0.454 24.827 ( 0.121 0.077 -0.085) 0.166 31.629 ( -0.126 0.378 -4.114) 4.133 31.686 ( 0.080 0.542 4.082) 4.119 41.897 ( 0.337 -3.992 -1.515) 4.283 42.360 ( 4.656 -4.434 4.933) 8.104 43.662 ( 1.628 2.298 -0.387) 2.842 44.544 ( -9.175 -2.966 -3.518) 10.264 ======================= Grid point 20 (14/242) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 7.046 3.305 11.710) 14.061 1.721 ( 15.580 5.593 2.215) 16.701 2.119 ( 2.092 -0.810 7.306) 7.642 2.629 ( 4.585 2.837 1.363) 5.562 2.980 ( -1.600 -2.765 3.085) 4.441 3.109 ( -6.684 5.614 -2.355) 9.041 3.484 ( 1.311 -3.782 2.008) 4.478 3.728 ( -11.690 3.542 -4.087) 12.880 3.948 ( 0.476 -1.594 -1.280) 2.099 4.319 ( 5.606 3.103 1.085) 6.498 4.727 ( -2.959 -1.449 0.544) 3.340 4.936 ( 2.244 -2.286 -0.446) 3.234 5.199 ( -0.495 -1.937 -5.208) 5.578 5.823 ( 0.557 -0.945 -9.496) 9.559 5.892 ( 0.647 -1.459 3.621) 3.957 6.605 ( -11.926 -3.657 2.975) 12.824 7.075 ( -5.850 -3.788 2.322) 7.346 7.918 ( 10.025 0.077 -0.478) 10.037 19.782 ( 0.309 0.498 -1.303) 1.428 19.923 ( -0.663 -1.849 -1.557) 2.507 20.031 ( 1.062 1.778 0.862) 2.243 20.209 ( -0.380 0.285 2.064) 2.118 24.795 ( -0.079 0.204 -0.026) 0.220 24.829 ( 0.082 -0.053 0.024) 0.100 31.609 ( 0.598 -0.279 -4.188) 4.239 31.698 ( -0.523 0.233 3.845) 3.887 41.939 ( 1.248 -1.205 -1.822) 2.516 42.479 ( 8.241 2.228 6.630) 10.809 43.747 ( 6.586 -5.490 5.270) 10.064 44.466 ( -9.752 -5.013 -10.468) 15.159 ======================= Grid point 21 (15/242) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -2.536 8.922 4.456) 10.291 1.807 ( 10.638 7.260 0.438) 12.887 2.132 ( -4.161 3.557 5.884) 8.037 2.667 ( 5.294 4.345 10.478) 12.518 2.913 ( -5.034 4.989 0.462) 7.102 3.109 ( 2.297 -7.550 3.630) 8.687 3.380 ( -9.639 8.618 -12.100) 17.709 3.648 ( 2.161 -0.713 9.494) 9.762 3.945 ( 2.540 2.704 -2.309) 4.370 4.353 ( 3.657 -0.844 -3.258) 4.970 4.717 ( -4.897 -2.055 2.853) 6.029 4.997 ( 1.281 -2.021 0.344) 2.418 5.191 ( 1.371 -0.471 -6.505) 6.664 5.776 ( -2.616 1.534 -0.082) 3.034 5.940 ( 7.027 0.538 -5.399) 8.877 6.522 ( -14.107 -2.036 4.482) 14.941 7.109 ( -2.905 -6.388 -0.073) 7.018 8.050 ( 9.752 -2.190 -0.037) 9.995 19.772 ( 0.868 0.503 -2.012) 2.248 19.934 ( 0.583 -0.579 -0.807) 1.152 20.016 ( 0.557 1.941 0.580) 2.101 20.202 ( -1.697 0.468 2.359) 2.943 24.794 ( 0.044 -0.014 0.077) 0.090 24.830 ( -0.155 -0.125 -0.075) 0.213 31.612 ( 1.548 -0.984 -3.755) 4.179 31.703 ( -1.336 -0.001 3.308) 3.568 41.940 ( 1.254 1.894 -1.881) 2.949 42.549 ( 12.308 8.396 9.938) 17.909 44.022 ( 9.086 -13.245 7.995) 17.942 44.382 ( -9.331 -6.907 -16.973) 20.564 ======================= Grid point 22 (16/242) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -5.501 13.257 2.489) 14.567 1.632 ( -7.577 14.677 -7.414) 18.105 2.075 ( 1.435 2.697 4.321) 5.292 2.553 ( -9.995 8.514 2.824) 13.430 2.764 ( -6.461 18.439 -0.358) 19.542 3.149 ( 6.038 1.250 3.158) 6.928 3.353 ( 8.549 -6.285 4.071) 11.365 3.711 ( 2.227 3.393 10.721) 11.463 3.933 ( 5.011 0.807 -5.947) 7.818 4.374 ( -0.793 -2.177 -5.276) 5.763 4.723 ( -5.595 -4.537 3.909) 8.195 4.995 ( -1.091 2.967 -1.300) 3.418 5.192 ( 3.425 0.078 -4.123) 5.361 5.754 ( 3.156 0.128 -1.280) 3.408 5.977 ( 5.100 1.043 -1.878) 5.534 6.410 ( -13.394 -0.942 5.515) 14.515 7.195 ( -2.359 -8.613 -3.606) 9.630 8.194 ( 7.640 -3.277 0.089) 8.313 19.765 ( 1.002 0.614 -1.493) 1.901 19.950 ( 1.354 0.604 2.334) 2.765 19.983 ( 0.305 2.099 -2.447) 3.239 20.183 ( -2.279 0.220 1.862) 2.951 24.797 ( 0.146 -0.135 0.380) 0.429 24.828 ( -0.446 -0.154 -0.310) 0.565 31.636 ( 2.172 -1.351 -3.013) 3.952 31.702 ( -1.881 -0.384 2.653) 3.275 41.887 ( 0.501 5.158 -1.132) 5.305 42.610 ( 16.846 12.108 15.658) 25.992 44.279 ( -9.853 -9.683 -20.592) 24.796 44.444 ( 9.979 -17.309 3.671) 20.314 ======================= Grid point 23 (17/242) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -7.689 16.333 -0.048) 18.052 1.200 ( -10.858 19.458 -6.720) 23.274 2.073 ( 2.670 6.664 0.677) 7.211 2.215 ( -5.684 28.124 1.273) 28.721 2.340 ( -8.716 10.038 -4.197) 13.941 3.276 ( 5.002 -2.261 4.852) 7.326 3.518 ( 13.598 7.830 8.037) 17.630 3.724 ( -2.300 -1.350 5.830) 6.411 3.967 ( 3.393 -1.778 -4.291) 5.752 4.363 ( -2.743 -2.862 -4.465) 5.971 4.775 ( -4.765 -7.549 1.766) 9.100 4.886 ( -0.443 7.575 -1.143) 7.673 5.208 ( 2.766 1.718 -0.754) 3.342 5.846 ( 12.495 -2.665 -5.148) 13.774 6.008 ( -0.733 -1.276 4.009) 4.271 6.309 ( -11.350 -0.356 5.560) 12.644 7.266 ( -4.417 -7.605 -6.133) 10.722 8.318 ( 4.358 -3.598 0.006) 5.651 19.762 ( 0.873 0.544 -0.067) 1.031 19.913 ( -0.842 4.184 0.153) 4.271 19.986 ( 2.010 -0.697 -0.838) 2.287 20.167 ( -1.657 -0.131 0.995) 1.937 24.804 ( 0.160 -0.107 0.800) 0.823 24.822 ( -0.619 -0.168 -0.637) 0.904 31.666 ( 1.647 -0.913 -1.674) 2.519 31.704 ( -1.405 -1.184 1.488) 2.364 41.785 ( -0.109 7.284 -0.147) 7.286 42.728 ( 20.455 11.237 23.365) 33.024 44.171 ( -10.408 -7.989 -30.861) 33.534 44.867 ( 6.676 -19.517 3.597) 20.938 ======================= Grid point 24 (18/242) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 18.816 0.000) 18.816 0.776 ( 0.000 23.174 0.000) 23.174 1.527 ( 0.000 43.201 0.000) 43.201 2.081 ( 0.000 4.933 0.000) 4.933 2.158 ( 0.000 4.616 0.000) 4.616 3.341 ( -0.000 -0.975 -0.000) 0.975 3.471 ( 0.000 10.995 0.000) 10.995 3.743 ( -0.000 -0.188 -0.000) 0.188 4.015 ( -0.000 -2.968 -0.000) 2.968 4.383 ( -0.000 -3.546 -0.000) 3.546 4.760 ( 0.000 7.992 0.000) 7.992 4.872 ( -0.000 -7.900 -0.000) 7.900 5.180 ( 0.000 3.511 0.000) 3.511 6.019 ( -0.000 -2.879 -0.000) 2.879 6.052 ( -0.000 -6.635 -0.000) 6.635 6.229 ( 0.000 1.483 0.000) 1.483 7.285 ( -0.000 -3.185 -0.000) 3.185 8.398 ( -0.000 -3.137 -0.000) 3.137 19.767 ( 0.000 0.007 0.000) 0.007 19.836 ( 0.000 4.236 0.000) 4.236 20.010 ( -0.000 -0.891 -0.000) 0.891 20.161 ( -0.000 -0.101 -0.000) 0.101 24.808 ( 0.000 0.169 0.000) 0.169 24.818 ( -0.000 -0.311 -0.000) 0.311 31.680 ( -0.000 -0.314 -0.000) 0.314 31.724 ( -0.000 -1.575 -0.000) 1.575 41.666 ( 0.000 7.117 0.000) 7.117 42.883 ( 0.000 2.741 0.000) 2.741 44.039 ( -0.000 -1.396 -0.000) 1.396 45.204 ( -0.000 -16.222 -0.000) 16.222 ======================= Grid point 27 (19/242) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 15.967 0.000 5.792) 16.985 0.938 ( 12.422 0.000 12.821) 17.851 2.097 ( 6.801 0.000 -6.170) 9.183 2.227 ( 7.821 0.000 -3.849) 8.717 2.545 ( 24.229 0.000 11.190) 26.688 2.821 ( -1.186 -0.000 1.085) 1.607 3.288 ( -5.137 -0.000 0.594) 5.171 3.326 ( 0.711 0.000 3.698) 3.765 4.009 ( -1.195 -0.000 -5.417) 5.547 4.374 ( 2.454 0.000 -2.873) 3.778 4.635 ( 0.277 0.000 0.099) 0.294 4.791 ( -9.246 -0.000 3.083) 9.746 5.371 ( -1.675 -0.000 -4.603) 4.899 5.391 ( 1.266 0.000 -3.079) 3.329 5.844 ( -11.600 -0.000 0.962) 11.640 6.570 ( 7.161 0.000 9.596) 11.973 7.497 ( -26.215 -0.000 -3.117) 26.400 8.349 ( -1.797 -0.000 -9.928) 10.090 19.686 ( 0.891 0.000 -0.564) 1.054 19.784 ( -0.298 -0.000 0.549) 0.625 20.117 ( 1.174 0.000 3.882) 4.056 20.192 ( 0.587 0.000 -2.412) 2.482 24.821 ( 0.848 0.000 -1.131) 1.414 24.864 ( 0.087 0.000 -0.300) 0.313 31.689 ( 0.690 0.000 -0.157) 0.707 31.751 ( -0.642 -0.000 1.026) 1.210 40.983 ( 5.974 0.000 3.773) 7.066 41.601 ( 4.183 0.000 -3.660) 5.558 44.712 ( -19.832 -0.000 -11.590) 22.971 45.018 ( -27.128 -0.000 37.945) 46.645 ======================= Grid point 28 (20/242) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 13.138 -2.316 5.040) 14.261 1.338 ( 10.544 -18.075 8.795) 22.699 2.032 ( 1.865 7.801 -8.489) 11.680 2.239 ( -0.024 -2.879 -13.529) 13.831 2.809 ( -0.221 -2.535 2.003) 3.238 2.901 ( 13.407 -4.846 7.709) 16.207 3.236 ( 9.819 4.633 6.029) 12.419 3.498 ( 3.081 -8.638 4.034) 10.019 3.943 ( -2.517 2.616 -3.250) 4.872 4.425 ( 1.398 -3.864 -0.981) 4.224 4.637 ( -0.665 -1.057 -1.154) 1.700 4.749 ( -8.938 -4.812 6.138) 11.863 5.240 ( 0.194 6.715 -5.728) 8.828 5.482 ( 0.013 -6.975 -3.440) 7.777 5.707 ( -12.942 -0.467 1.741) 13.067 6.685 ( 3.632 -0.862 7.961) 8.792 7.163 ( -26.339 1.360 -3.109) 26.557 8.245 ( -0.461 4.624 -8.848) 9.994 19.708 ( 1.043 -1.460 -0.138) 1.800 19.787 ( -0.479 -0.813 -0.387) 1.020 20.130 ( 0.202 1.479 2.899) 3.260 20.190 ( 1.725 0.488 -1.090) 2.098 24.823 ( 0.924 0.347 -0.754) 1.242 24.858 ( -0.370 0.392 0.260) 0.599 31.693 ( 0.921 0.517 -0.236) 1.082 31.740 ( -0.809 0.985 1.334) 1.845 41.185 ( 4.652 -12.893 2.162) 13.876 41.677 ( 4.135 -5.605 -2.929) 7.555 44.393 ( -16.030 5.379 -14.804) 22.473 44.853 ( -22.086 4.137 25.776) 34.195 ======================= Grid point 29 (21/242) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 9.335 -1.195 2.607) 9.766 1.676 ( 8.565 -2.252 2.177) 9.120 1.985 ( 5.619 -6.591 -5.762) 10.403 2.230 ( 3.703 -2.841 -8.827) 9.986 2.839 ( -3.557 -5.283 -2.169) 6.729 3.124 ( 7.667 -2.580 6.889) 10.625 3.355 ( 6.554 -2.061 6.024) 9.137 3.666 ( 4.198 -3.163 -0.232) 5.261 3.862 ( -1.927 1.558 0.713) 2.578 4.481 ( 0.219 -0.495 3.270) 3.314 4.652 ( -1.639 -2.879 -0.828) 3.415 4.794 ( -6.511 -8.807 3.567) 11.518 5.109 ( -0.673 5.426 -7.835) 9.554 5.551 ( -1.979 -4.466 -2.664) 5.564 5.638 ( -8.669 -6.182 2.872) 11.028 6.747 ( -2.623 -1.034 2.541) 3.796 6.869 ( -20.925 -1.976 0.135) 21.018 8.126 ( 2.239 6.549 -6.147) 9.257 19.749 ( 0.766 -2.114 0.789) 2.383 19.794 ( -0.527 -1.356 -1.688) 2.228 20.112 ( -0.920 1.195 0.758) 1.688 20.202 ( 2.743 1.425 1.205) 3.317 24.824 ( 0.818 0.496 -0.276) 0.996 24.847 ( -0.575 0.555 0.288) 0.850 31.688 ( 0.698 1.020 -1.091) 1.649 31.719 ( -0.677 1.385 2.110) 2.613 41.456 ( 3.398 -13.786 -0.021) 14.198 41.838 ( 3.262 -10.109 0.301) 10.626 44.068 ( -9.473 7.743 -13.013) 17.861 44.668 ( -17.471 3.218 13.980) 22.606 ======================= Grid point 30 (22/242) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 12.435 1.852 7.014) 14.396 1.772 ( 12.064 2.107 1.011) 12.288 2.076 ( 5.726 0.891 -7.941) 9.831 2.417 ( 7.115 -11.079 1.227) 13.224 2.877 ( -1.866 -4.763 -2.081) 5.523 3.246 ( 3.319 -1.967 5.796) 6.963 3.466 ( -3.232 -4.335 4.574) 7.082 3.632 ( -0.667 4.474 -3.039) 5.450 3.886 ( -0.440 -2.973 -1.875) 3.542 4.480 ( 0.745 3.308 5.210) 6.216 4.673 ( -1.935 -2.420 0.187) 3.104 4.905 ( -1.707 -10.408 -4.347) 11.407 4.985 ( -2.247 3.267 -4.692) 6.143 5.607 ( -3.637 -7.483 1.646) 8.481 5.678 ( -4.342 -6.453 -1.450) 7.912 6.610 ( -16.149 -1.292 0.783) 16.220 6.848 ( -6.437 -6.945 2.441) 9.779 8.038 ( 5.436 6.842 -3.330) 9.352 19.789 ( 0.278 -0.822 0.808) 1.185 19.806 ( -0.685 -2.744 -1.329) 3.125 20.085 ( -0.745 0.805 -0.862) 1.395 20.217 ( 2.547 1.520 2.116) 3.644 24.822 ( 0.265 0.722 0.367) 0.852 24.834 ( -0.195 0.348 -0.233) 0.462 31.662 ( -0.025 1.565 -2.174) 2.679 31.710 ( -0.047 0.939 2.801) 2.955 41.674 ( 2.299 -9.915 -1.076) 10.235 42.069 ( 3.991 -12.378 3.593) 13.493 43.831 ( -2.339 6.843 -7.661) 10.535 44.497 ( -15.122 0.684 3.702) 15.584 ======================= Grid point 31 (23/242) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 12.004 0.825 11.692) 16.778 1.900 ( 17.311 3.751 2.892) 17.948 2.088 ( 5.101 0.507 -3.358) 6.128 2.616 ( 4.376 -4.106 2.270) 6.416 2.925 ( 0.154 -2.922 -0.295) 2.941 3.300 ( -0.276 4.740 4.332) 6.427 3.418 ( -5.865 -0.703 1.793) 6.173 3.609 ( -5.231 -5.757 -3.632) 8.585 3.886 ( -2.068 -1.900 -3.786) 4.714 4.461 ( 2.181 4.032 4.523) 6.440 4.682 ( -2.141 -1.372 0.333) 2.564 4.915 ( 1.557 1.145 -4.560) 4.952 5.029 ( -1.402 -9.004 -5.566) 10.678 5.675 ( -0.893 -7.467 -13.393) 15.360 5.754 ( -4.274 -6.832 10.324) 13.097 6.494 ( -12.663 -3.070 2.856) 13.339 6.890 ( -9.278 -7.609 2.790) 12.319 8.007 ( 8.226 5.146 -1.428) 9.807 19.793 ( -0.038 -0.156 -1.082) 1.094 19.847 ( -0.457 -2.674 1.184) 2.960 20.064 ( -0.060 0.417 -1.983) 2.028 20.230 ( 1.428 1.293 2.292) 2.994 24.811 ( -0.194 0.734 0.364) 0.842 24.830 ( 0.225 0.135 -0.271) 0.377 31.627 ( 0.310 1.349 -2.715) 3.048 31.711 ( -0.363 0.585 2.862) 2.943 41.816 ( 1.529 -6.343 -1.164) 6.628 42.340 ( 6.962 -10.675 5.756) 13.984 43.732 ( 2.966 3.390 -0.977) 4.609 44.336 ( -14.787 -2.021 -4.962) 15.727 ======================= Grid point 32 (24/242) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 2.991 4.116 6.594) 8.329 2.032 ( 16.482 6.606 -0.978) 17.783 2.180 ( 5.346 -1.156 9.279) 10.771 2.699 ( 2.499 -2.121 2.194) 3.944 2.955 ( 1.099 -0.116 1.248) 1.667 3.130 ( -6.873 7.999 -0.745) 10.572 3.428 ( -3.486 -1.916 -3.322) 5.183 3.613 ( -4.467 -4.588 2.659) 6.934 3.912 ( 1.369 -3.293 -0.451) 3.595 4.443 ( 2.430 4.207 2.587) 5.505 4.667 ( -3.568 -0.816 -0.454) 3.689 4.927 ( 1.570 -1.595 -0.225) 2.250 5.098 ( 0.302 -5.433 -9.571) 11.010 5.712 ( -2.259 -6.324 -8.539) 10.864 5.870 ( 1.839 -5.128 2.804) 6.127 6.428 ( -10.941 -3.153 2.942) 11.760 6.910 ( -10.133 -7.113 4.148) 13.056 8.045 ( 9.007 2.126 -0.556) 9.271 19.788 ( 0.498 0.290 -1.007) 1.160 19.889 ( 0.279 -2.129 1.105) 2.415 20.050 ( 0.097 0.232 -1.823) 1.840 20.227 ( -0.240 1.266 1.963) 2.349 24.801 ( 0.007 0.492 0.207) 0.534 24.829 ( 0.033 0.071 -0.174) 0.191 31.605 ( 1.312 0.634 -2.986) 3.322 31.709 ( -1.264 0.349 2.784) 3.077 41.905 ( 1.430 -3.719 -1.415) 4.228 42.609 ( 11.204 -5.651 8.377) 15.088 43.776 ( 4.814 -2.090 4.396) 6.846 44.179 ( -14.773 -4.879 -12.095) 19.706 ======================= Grid point 33 (25/242) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -1.419 8.353 3.487) 9.162 2.055 ( 8.604 10.687 -3.831) 14.244 2.177 ( -3.077 4.459 4.742) 7.200 2.770 ( -4.141 1.873 5.028) 6.777 2.991 ( 5.292 0.748 2.748) 6.010 3.010 ( 0.017 -4.207 1.881) 4.608 3.325 ( -6.666 1.907 -7.864) 10.484 3.717 ( 5.695 -1.880 9.973) 11.637 3.984 ( 2.996 -1.876 -0.023) 3.535 4.393 ( 0.212 4.296 -2.271) 4.864 4.633 ( -5.544 -1.657 0.995) 5.872 4.982 ( 0.617 -2.425 2.314) 3.408 5.129 ( 2.245 -3.696 -11.134) 11.945 5.731 ( -4.002 -3.156 1.032) 5.200 5.975 ( 6.443 -2.476 -5.333) 8.723 6.363 ( -9.980 -1.863 2.478) 10.450 6.945 ( -7.183 -7.821 3.106) 11.064 8.127 ( 7.366 -0.585 -0.189) 7.391 19.785 ( 0.932 0.581 -0.917) 1.431 19.933 ( 1.902 -1.363 0.407) 2.375 20.036 ( -0.661 0.506 -0.493) 0.968 20.204 ( -1.637 1.251 1.213) 2.391 24.798 ( 0.237 0.223 0.196) 0.380 24.826 ( -0.224 0.042 -0.191) 0.297 31.608 ( 2.434 -0.202 -2.942) 3.824 31.698 ( -2.302 0.115 2.633) 3.499 41.951 ( 1.123 -1.008 -1.555) 2.166 42.845 ( 15.386 1.558 12.042) 19.600 43.911 ( -5.760 -9.592 0.152) 11.190 44.077 ( -4.463 -7.927 -11.131) 14.376 ======================= Grid point 34 (26/242) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -2.915 12.553 1.385) 12.961 1.777 ( -5.735 17.468 -4.637) 18.961 2.182 ( 5.670 2.501 2.205) 6.577 2.586 ( -8.222 8.888 0.314) 12.112 2.982 ( -1.466 12.944 1.947) 13.171 3.158 ( 0.331 -8.098 2.041) 8.358 3.304 ( 6.060 -7.739 -0.821) 9.863 3.856 ( 5.554 -0.294 11.041) 12.363 4.009 ( 3.837 4.033 -2.303) 6.024 4.307 ( -2.760 0.921 -6.182) 6.832 4.613 ( -5.138 -2.864 2.331) 6.327 5.014 ( -0.261 0.212 0.662) 0.742 5.169 ( 2.391 -3.523 -5.688) 7.105 5.757 ( 0.190 -2.782 1.702) 3.267 6.022 ( 2.325 0.621 -2.541) 3.500 6.296 ( -6.357 -0.509 1.382) 6.525 7.025 ( -3.026 -8.249 0.018) 8.786 8.217 ( 4.138 -2.388 -0.034) 4.778 19.781 ( 0.762 0.698 -0.631) 1.211 19.975 ( 2.913 -0.395 -0.889) 3.071 20.011 ( -1.436 1.407 1.276) 2.381 20.170 ( -1.875 0.731 0.424) 2.057 24.801 ( 0.340 -0.024 0.266) 0.432 24.821 ( -0.388 0.074 -0.257) 0.471 31.634 ( 3.054 -0.768 -2.741) 4.175 31.682 ( -2.929 -0.317 2.539) 3.889 41.944 ( 0.470 2.164 -0.990) 2.426 43.012 ( 14.688 7.482 13.319) 21.193 43.886 ( -13.727 -11.611 -14.850) 23.319 44.284 ( 4.814 -15.019 1.966) 15.894 ======================= Grid point 35 (27/242) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.000 16.509 0.000) 16.509 1.436 ( 0.000 18.892 0.000) 18.892 2.187 ( 0.000 3.337 0.000) 3.337 2.381 ( 0.000 9.076 0.000) 9.076 2.658 ( 0.000 25.140 0.000) 25.140 3.267 ( -0.000 -4.164 -0.000) 4.164 3.524 ( -0.000 -12.278 -0.000) 12.278 3.873 ( 0.000 12.173 0.000) 12.173 3.955 ( -0.000 -1.375 -0.000) 1.375 4.282 ( -0.000 -2.486 -0.000) 2.486 4.649 ( -0.000 -5.063 -0.000) 5.063 4.976 ( 0.000 4.251 0.000) 4.251 5.219 ( -0.000 -1.907 -0.000) 1.907 5.840 ( -0.000 -5.559 -0.000) 5.559 5.999 ( 0.000 1.591 0.000) 1.591 6.260 ( 0.000 0.494 0.000) 0.494 7.127 ( -0.000 -6.827 -0.000) 6.827 8.287 ( -0.000 -3.370 -0.000) 3.370 19.774 ( 0.000 0.522 0.000) 0.522 19.968 ( 0.000 3.111 0.000) 3.111 19.995 ( 0.000 0.083 0.000) 0.083 20.154 ( -0.000 -0.167 -0.000) 0.167 24.807 ( -0.000 -0.276 -0.000) 0.276 24.814 ( 0.000 0.197 0.000) 0.197 31.664 ( -0.000 -0.635 -0.000) 0.635 31.676 ( -0.000 -1.186 -0.000) 1.186 41.885 ( 0.000 5.271 0.000) 5.271 43.031 ( 0.000 6.827 0.000) 6.827 43.910 ( -0.000 -7.863 -0.000) 7.863 44.598 ( -0.000 -19.506 -0.000) 19.506 ======================= Grid point 40 (28/242) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 8.984 0.000 11.329) 14.458 1.295 ( 12.409 0.000 6.490) 14.003 2.062 ( -2.452 -0.000 -13.066) 13.294 2.184 ( 6.799 0.000 -6.672) 9.526 2.738 ( -4.696 -0.000 -1.106) 4.824 3.086 ( 13.237 0.000 9.425) 16.250 3.407 ( 2.642 0.000 1.969) 3.295 3.492 ( 11.022 0.000 3.394) 11.533 3.920 ( -2.494 -0.000 -2.640) 3.632 4.397 ( 1.890 0.000 -2.410) 3.063 4.636 ( -0.186 -0.000 1.963) 1.972 4.641 ( -8.987 -0.000 8.773) 12.560 5.286 ( -0.613 -0.000 -8.058) 8.081 5.376 ( -0.184 -0.000 -4.872) 4.876 5.552 ( -13.039 -0.000 -0.307) 13.042 6.727 ( -2.794 -0.000 8.776) 9.210 6.854 ( -25.873 -0.000 -2.423) 25.986 8.242 ( 1.763 0.000 -8.344) 8.528 19.708 ( 1.281 0.000 -0.304) 1.317 19.776 ( -0.617 -0.000 0.217) 0.654 20.125 ( -1.889 -0.000 -1.392) 2.347 20.239 ( 3.503 0.000 2.816) 4.495 24.833 ( 0.963 0.000 -0.812) 1.260 24.857 ( -0.780 -0.000 0.697) 1.046 31.707 ( 0.957 0.000 -0.374) 1.027 31.746 ( -0.884 -0.000 1.731) 1.943 41.178 ( 7.029 0.000 5.023) 8.639 41.664 ( 4.947 0.000 -4.865) 6.939 44.199 ( -11.474 -0.000 -15.254) 19.088 44.740 ( -21.942 -0.000 18.526) 28.717 ======================= Grid point 41 (29/242) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 11.382 0.392 7.603) 13.694 1.628 ( 7.807 -15.008 7.645) 18.565 1.990 ( 5.523 1.510 -7.204) 9.202 2.231 ( 6.244 -0.176 -6.339) 8.900 2.714 ( -3.816 -3.933 -1.081) 5.586 3.218 ( 4.752 2.662 5.890) 8.022 3.460 ( 7.241 -0.507 3.435) 8.031 3.624 ( 1.527 -4.195 -2.252) 5.000 3.869 ( -1.615 1.867 -1.859) 3.090 4.442 ( 0.899 -4.129 -1.019) 4.347 4.616 ( -4.937 -2.378 6.522) 8.519 4.657 ( -2.588 -1.595 5.570) 6.345 5.145 ( -2.084 6.453 -9.243) 11.464 5.415 ( -10.224 -8.312 -1.271) 13.237 5.458 ( -0.436 -2.738 -5.588) 6.238 6.582 ( -20.547 -0.516 -0.117) 20.554 6.715 ( -7.460 -1.451 5.746) 9.528 8.214 ( 4.365 3.369 -5.290) 7.641 19.731 ( 0.866 -1.342 -0.081) 1.599 19.773 ( -0.300 -0.332 -0.248) 0.511 20.094 ( -2.060 -0.029 -1.729) 2.689 20.280 ( 3.204 1.594 3.277) 4.853 24.837 ( 0.843 0.230 -0.884) 1.243 24.849 ( -0.927 0.392 1.058) 1.460 31.707 ( 0.458 0.881 -0.658) 1.191 31.740 ( -0.563 0.753 1.959) 2.173 41.348 ( 6.167 -7.818 4.106) 10.771 41.743 ( 4.476 -6.035 -3.692) 8.372 44.005 ( -4.993 3.244 -13.052) 14.346 44.562 ( -19.052 2.060 10.915) 22.053 ======================= Grid point 42 (30/242) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 10.881 -0.201 8.514) 13.817 1.903 ( 9.183 -4.187 2.422) 10.379 2.107 ( 8.597 -4.571 -4.764) 10.839 2.327 ( 6.918 -8.348 -0.058) 10.842 2.761 ( -1.940 -6.287 -0.358) 6.589 3.220 ( -2.967 -1.233 3.126) 4.483 3.524 ( 4.079 6.090 2.295) 7.681 3.653 ( -0.430 -0.776 -1.235) 1.521 3.805 ( -3.769 -0.751 -5.270) 6.522 4.507 ( -0.293 -2.591 1.278) 2.904 4.646 ( -0.271 -1.074 2.989) 3.187 4.704 ( -4.405 -7.618 3.841) 9.601 4.998 ( -1.413 3.880 -6.759) 7.920 5.414 ( -8.536 -8.168 -3.327) 12.274 5.524 ( -0.292 -6.783 -3.455) 7.618 6.414 ( -13.692 -1.928 2.639) 14.076 6.681 ( -9.455 -4.243 2.543) 10.670 8.186 ( 6.049 5.120 -2.423) 8.287 19.762 ( -0.229 -1.777 -0.250) 1.809 19.781 ( 0.543 -0.935 -0.059) 1.083 20.066 ( -1.520 -0.192 -1.851) 2.403 20.295 ( 2.332 2.433 3.074) 4.562 24.835 ( -0.605 0.378 0.248) 0.755 24.838 ( 0.433 0.562 -0.025) 0.710 31.683 ( -0.000 1.832 -0.814) 2.004 31.733 ( -0.187 0.766 1.726) 1.898 41.563 ( 4.476 -8.876 1.528) 10.057 41.926 ( 4.343 -12.236 0.035) 12.984 43.869 ( 0.817 4.096 -8.266) 9.261 44.360 ( -16.361 2.630 3.637) 16.965 ======================= Grid point 43 (31/242) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 5.771 -0.068 7.129) 9.172 2.089 ( 10.290 -3.764 4.381) 11.801 2.184 ( 9.712 2.231 -4.674) 11.006 2.574 ( 3.885 -8.500 2.671) 9.720 2.858 ( 0.574 -6.651 0.817) 6.726 3.256 ( -8.852 -8.402 1.035) 12.248 3.434 ( 2.891 6.590 2.862) 7.744 3.537 ( -4.449 7.544 -8.345) 12.098 3.822 ( 0.566 -3.266 0.794) 3.409 4.525 ( -0.334 0.593 2.331) 2.429 4.662 ( -0.747 0.140 2.257) 2.381 4.819 ( -4.468 -10.189 0.258) 11.128 4.934 ( 3.343 0.702 -7.597) 8.330 5.437 ( -6.845 -9.588 -8.426) 14.484 5.640 ( -0.345 -8.390 3.364) 9.046 6.343 ( -8.587 -2.300 3.496) 9.552 6.668 ( -10.502 -7.017 1.905) 12.774 8.169 ( 6.660 5.013 -0.822) 8.376 19.777 ( 0.339 -0.957 -1.266) 1.623 19.815 ( -0.055 -2.188 1.701) 2.772 20.048 ( -0.615 -0.274 -2.240) 2.339 20.288 ( 1.080 2.543 2.369) 3.639 24.822 ( -0.438 0.659 0.699) 1.056 24.834 ( 0.327 0.305 -0.551) 0.710 31.649 ( 0.498 1.953 -1.133) 2.312 31.726 ( -0.605 0.711 1.551) 1.811 41.730 ( 2.649 -6.918 -0.166) 7.409 42.223 ( 6.170 -16.214 3.382) 17.675 43.815 ( 3.967 2.927 -2.226) 5.409 44.144 ( -14.815 2.505 -3.257) 15.374 ======================= Grid point 44 (32/242) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.993 2.489 4.112) 4.908 2.206 ( 6.720 1.383 -1.149) 6.957 2.303 ( 8.431 -1.468 3.816) 9.370 2.662 ( -1.942 -1.384 1.663) 2.907 2.970 ( 3.084 -3.863 0.594) 4.979 3.176 ( -8.337 2.735 0.405) 8.783 3.313 ( -6.691 4.827 -9.285) 12.421 3.567 ( 8.225 -7.581 7.039) 13.216 3.881 ( 1.252 -1.846 2.132) 3.086 4.514 ( -0.215 1.929 2.373) 3.065 4.633 ( -2.817 1.544 -1.107) 3.398 4.887 ( -5.113 -4.757 5.884) 9.133 4.980 ( 6.530 -4.424 -14.701) 16.684 5.496 ( -4.800 -10.844 -5.948) 13.267 5.800 ( 2.242 -8.224 2.288) 8.826 6.308 ( -6.107 -1.512 2.564) 6.793 6.685 ( -10.037 -8.376 3.143) 13.445 8.172 ( 5.922 3.338 -0.246) 6.803 19.790 ( 0.834 -0.411 -0.950) 1.329 19.863 ( 0.050 -2.738 2.208) 3.518 20.037 ( -0.078 -0.199 -2.369) 2.379 20.262 ( -0.258 2.444 1.421) 2.839 24.812 ( -0.009 0.609 0.527) 0.805 24.830 ( -0.008 0.192 -0.463) 0.502 31.627 ( 1.542 1.350 -1.459) 2.516 31.710 ( -1.525 0.684 1.503) 2.248 41.846 ( 1.528 -5.155 -0.576) 5.407 42.596 ( 9.576 -16.386 6.011) 19.908 43.824 ( -1.187 2.150 4.450) 5.083 43.929 ( -9.061 -0.115 -10.999) 14.251 ======================= Grid point 45 (33/242) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -0.719 6.139 1.909) 6.469 2.248 ( 4.719 1.756 1.087) 5.151 2.274 ( -0.873 11.604 -1.907) 11.792 2.697 ( -2.817 -6.428 1.751) 7.233 3.006 ( -2.534 8.288 -0.762) 8.700 3.079 ( 5.266 -2.896 2.870) 6.660 3.214 ( -5.192 -3.005 -4.434) 7.460 3.807 ( 8.351 -4.209 7.586) 12.041 3.939 ( -0.285 -4.733 0.057) 4.742 4.458 ( -1.488 5.591 -0.030) 5.786 4.569 ( -2.991 0.097 -1.517) 3.356 4.944 ( -2.397 -4.039 5.338) 7.110 5.040 ( 3.979 -4.114 -11.370) 12.729 5.595 ( -3.041 -8.731 -0.348) 9.252 5.951 ( 3.661 -5.710 -1.925) 7.051 6.276 ( -3.877 -0.613 1.212) 4.108 6.745 ( -6.120 -9.198 2.853) 11.410 8.192 ( 3.592 1.060 -0.085) 3.746 19.797 ( 0.653 0.149 -0.385) 0.772 19.924 ( 0.944 -2.917 1.545) 3.434 20.026 ( -0.359 0.153 -1.533) 1.582 20.222 ( -0.901 2.341 0.526) 2.563 24.807 ( 0.227 0.439 0.316) 0.586 24.824 ( -0.210 0.121 -0.301) 0.386 31.628 ( 2.486 0.443 -1.671) 3.028 31.685 ( -2.427 0.579 1.576) 2.952 41.922 ( 0.727 -3.186 -0.571) 3.318 43.008 ( 14.435 -13.262 9.752) 21.894 43.630 ( -16.449 1.751 -8.887) 18.778 43.964 ( 3.139 -5.686 -0.663) 6.528 ======================= Grid point 46 (34/242) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 0.000 9.896 0.000) 9.896 2.011 ( 0.000 17.223 0.000) 17.223 2.258 ( 0.000 1.667 0.000) 1.667 2.676 ( 0.000 7.410 0.000) 7.410 2.999 ( -0.000 -9.253 -0.000) 9.253 3.131 ( 0.000 5.381 0.000) 5.381 3.227 ( -0.000 -6.028 -0.000) 6.028 3.910 ( -0.000 -0.764 -0.000) 0.764 4.030 ( -0.000 -4.546 -0.000) 4.546 4.335 ( 0.000 6.772 0.000) 6.772 4.556 ( -0.000 -1.211 -0.000) 1.211 4.998 ( -0.000 -2.364 -0.000) 2.364 5.101 ( -0.000 -4.424 -0.000) 4.424 5.691 ( -0.000 -5.538 -0.000) 5.538 6.025 ( -0.000 -1.627 -0.000) 1.627 6.262 ( -0.000 -0.274 -0.000) 0.274 6.866 ( -0.000 -9.334 -0.000) 9.334 8.213 ( -0.000 -0.966 -0.000) 0.966 19.795 ( 0.000 0.573 0.000) 0.573 19.981 ( -0.000 -2.207 -0.000) 2.207 20.010 ( 0.000 0.646 0.000) 0.646 20.181 ( 0.000 1.953 0.000) 1.953 24.805 ( 0.000 0.174 0.000) 0.174 24.819 ( 0.000 0.135 0.000) 0.135 31.645 ( -0.000 -0.384 -0.000) 0.384 31.661 ( 0.000 0.284 0.000) 0.284 41.956 ( -0.000 -0.718 -0.000) 0.718 43.307 ( 0.000 10.223 0.000) 10.223 43.484 ( -0.000 -18.979 -0.000) 18.979 44.111 ( -0.000 -10.476 -0.000) 10.476 ======================= Grid point 53 (35/242) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 7.502 0.000 10.687) 13.057 1.599 ( 8.882 0.000 6.473) 10.991 2.031 ( 5.530 0.000 -4.898) 7.387 2.277 ( 6.108 0.000 -4.252) 7.443 2.635 ( -3.068 -0.000 -0.997) 3.226 3.340 ( -0.113 -0.000 3.851) 3.853 3.444 ( 0.442 0.000 -2.365) 2.406 3.645 ( 6.543 0.000 0.069) 6.543 3.853 ( -1.430 -0.000 -4.435) 4.660 4.410 ( 0.425 0.000 -0.930) 1.022 4.558 ( -6.759 -0.000 10.469) 12.462 4.679 ( 0.331 0.000 5.352) 5.362 5.161 ( -14.063 -0.000 1.388) 14.131 5.172 ( 0.798 0.000 -14.951) 14.973 5.409 ( 1.637 0.000 -7.356) 7.536 6.381 ( -14.550 -0.000 2.428) 14.752 6.626 ( -10.435 -0.000 4.514) 11.370 8.275 ( 5.188 0.000 -2.863) 5.926 19.728 ( 0.534 0.000 -0.226) 0.580 19.769 ( 0.015 0.000 0.080) 0.082 20.061 ( -2.033 -0.000 -1.535) 2.547 20.342 ( 2.527 0.000 2.852) 3.811 24.839 ( -0.013 -0.000 -0.726) 0.726 24.850 ( -0.322 -0.000 1.011) 1.061 31.715 ( 0.051 0.000 -0.307) 0.312 31.749 ( -0.385 -0.000 1.590) 1.636 41.383 ( 6.160 0.000 5.500) 8.258 41.721 ( 4.427 0.000 -5.341) 6.938 43.940 ( -0.017 -0.000 -11.255) 11.255 44.417 ( -17.124 -0.000 7.226) 18.586 ======================= Grid point 54 (36/242) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 5.914 -0.450 6.629) 8.895 1.852 ( 6.648 -12.965 5.389) 15.534 2.093 ( 4.633 -3.414 -2.345) 6.214 2.331 ( 5.408 -1.294 -1.842) 5.858 2.643 ( -1.920 -4.933 -0.503) 5.317 3.219 ( -5.633 5.363 -0.793) 7.818 3.515 ( -4.914 -6.556 -4.665) 9.428 3.692 ( 3.495 2.928 -0.369) 4.575 3.818 ( 6.520 3.842 -0.320) 7.575 4.439 ( -0.637 -4.328 -0.856) 4.457 4.567 ( -4.425 -2.993 7.309) 9.053 4.699 ( -0.553 0.956 6.140) 6.238 4.991 ( -5.415 2.428 -2.517) 6.446 5.169 ( -5.394 -6.551 -9.972) 13.094 5.426 ( 1.834 -3.960 -6.093) 7.495 6.281 ( -8.199 -1.358 3.973) 9.211 6.535 ( -10.299 -1.483 2.403) 10.679 8.303 ( 4.983 2.589 -0.957) 5.697 19.739 ( 0.035 -0.996 0.108) 1.002 19.774 ( 0.401 -0.454 -0.260) 0.659 20.036 ( -1.467 -0.309 -1.199) 1.919 20.364 ( 1.585 1.648 2.271) 3.223 24.833 ( -0.440 0.132 0.059) 0.464 24.849 ( 0.072 0.381 0.201) 0.437 31.704 ( -0.148 1.105 -0.096) 1.119 31.748 ( -0.223 0.529 1.055) 1.201 41.517 ( 4.786 -5.098 3.970) 8.041 41.801 ( 3.681 -7.597 -3.490) 9.135 43.899 ( 3.507 1.712 -7.897) 8.809 44.248 ( -14.050 2.493 3.554) 14.706 ======================= Grid point 55 (37/242) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 1.702 -0.633 4.263) 4.633 2.112 ( 5.939 -6.710 2.325) 9.257 2.215 ( 3.694 -5.995 -4.079) 8.137 2.477 ( 4.572 -10.686 3.387) 12.107 2.732 ( -1.294 -8.453 0.007) 8.551 3.078 ( -9.321 1.075 -2.469) 9.702 3.478 ( -2.890 -0.952 -4.969) 5.827 3.615 ( -0.114 6.815 -3.932) 7.869 3.891 ( 9.804 3.353 7.021) 12.516 4.508 ( 0.599 -3.820 -0.856) 3.961 4.611 ( -4.080 -5.571 2.045) 7.202 4.701 ( -1.782 0.232 5.186) 5.488 4.933 ( 0.231 -0.095 -3.392) 3.401 5.167 ( -6.832 -8.343 -7.895) 13.364 5.520 ( 1.408 -7.975 -1.387) 8.216 6.262 ( -3.747 -1.631 3.667) 5.491 6.474 ( -8.978 -3.959 0.941) 9.857 8.300 ( 4.180 3.878 -0.127) 5.703 19.761 ( 0.295 -1.388 0.332) 1.457 19.790 ( 0.099 -1.350 -0.195) 1.368 20.025 ( -0.660 -0.500 -1.113) 1.388 20.350 ( 0.622 2.740 1.537) 3.203 24.827 ( -0.368 0.231 0.484) 0.651 24.842 ( 0.141 0.554 -0.326) 0.658 31.681 ( 0.243 1.692 -0.115) 1.713 31.737 ( -0.447 0.885 0.631) 1.175 41.662 ( 2.827 -5.770 0.962) 6.497 42.023 ( 3.587 -16.124 0.258) 16.520 43.886 ( 4.424 1.934 -4.046) 6.300 44.056 ( -10.953 5.159 0.339) 12.111 ======================= Grid point 56 (38/242) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -0.228 0.390 1.981) 2.032 2.260 ( 2.993 -3.982 3.052) 5.842 2.297 ( 2.735 -3.790 -4.021) 6.166 2.668 ( 1.958 -0.620 2.781) 3.457 2.884 ( -0.805 -12.076 0.634) 12.120 2.972 ( -7.537 -4.994 -3.950) 9.867 3.432 ( 0.121 11.889 -2.890) 12.236 3.533 ( 1.434 -6.900 0.281) 7.053 3.956 ( 5.411 3.712 5.034) 8.271 4.542 ( 0.958 0.347 1.153) 1.538 4.619 ( -3.382 0.600 -0.909) 3.553 4.749 ( -2.593 -7.217 2.481) 8.060 4.947 ( 3.226 -1.552 -6.246) 7.200 5.232 ( -4.536 -12.041 -2.780) 13.164 5.683 ( 1.408 -10.107 0.725) 10.230 6.262 ( -1.774 -0.351 1.841) 2.580 6.478 ( -5.965 -6.909 0.917) 9.174 8.277 ( 2.634 3.786 0.014) 4.612 19.787 ( 0.803 -0.767 -0.195) 1.128 19.822 ( -0.416 -2.968 0.665) 3.070 20.024 ( -0.072 -0.363 -0.930) 1.001 20.311 ( -0.073 3.184 0.696) 3.260 24.823 ( -0.096 0.304 0.680) 0.751 24.832 ( 0.029 0.539 -0.621) 0.823 31.660 ( 0.848 1.448 -0.290) 1.703 31.716 ( -0.883 1.216 0.443) 1.567 41.775 ( 1.140 -5.523 -0.041) 5.639 42.375 ( 3.663 -21.842 1.792) 22.220 43.843 ( -7.492 7.996 -1.123) 11.015 43.895 ( 3.069 0.579 -1.605) 3.511 ======================= Grid point 57 (39/242) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.000 2.907 0.000) 2.907 2.301 ( 0.000 0.754 0.000) 0.754 2.370 ( -0.000 -0.567 -0.000) 0.567 2.620 ( 0.000 1.489 0.000) 1.489 3.017 ( -0.000 -5.990 -0.000) 5.990 3.073 ( -0.000 -8.915 -0.000) 8.915 3.205 ( 0.000 13.923 0.000) 13.923 3.719 ( -0.000 -12.553 -0.000) 12.553 3.943 ( 0.000 2.957 0.000) 2.957 4.538 ( 0.000 4.810 0.000) 4.810 4.550 ( 0.000 0.474 0.000) 0.474 4.854 ( -0.000 -6.654 -0.000) 6.654 4.983 ( -0.000 -2.734 -0.000) 2.734 5.403 ( -0.000 -12.545 -0.000) 12.545 5.850 ( -0.000 -9.029 -0.000) 9.029 6.256 ( 0.000 0.016 0.000) 0.016 6.570 ( -0.000 -8.737 -0.000) 8.737 8.241 ( 0.000 2.669 0.000) 2.669 19.799 ( -0.000 -0.317 -0.000) 0.317 19.877 ( -0.000 -3.718 -0.000) 3.718 20.023 ( 0.000 0.068 0.000) 0.068 20.261 ( 0.000 3.039 0.000) 3.039 24.819 ( 0.000 0.657 0.000) 0.657 24.823 ( 0.000 0.099 0.000) 0.099 31.650 ( 0.000 0.728 0.000) 0.728 31.689 ( 0.000 1.325 0.000) 1.325 41.862 ( -0.000 -4.720 -0.000) 4.720 42.779 ( -0.000 -24.261 -0.000) 24.261 43.642 ( 0.000 10.355 0.000) 10.355 43.920 ( -0.000 -2.114 -0.000) 2.114 ======================= Grid point 66 (40/242) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 1.186 0.000 5.074) 5.211 1.824 ( 5.719 0.000 4.723) 7.417 2.083 ( 0.776 0.000 -2.094) 2.234 2.362 ( 3.453 0.000 -1.268) 3.679 2.579 ( -1.231 -0.000 -0.752) 1.443 3.170 ( -10.461 -0.000 -3.715) 11.101 3.387 ( -1.889 -0.000 -4.236) 4.638 3.717 ( 1.457 0.000 -4.152) 4.400 3.994 ( 12.412 0.000 5.682) 13.651 4.379 ( -2.662 -0.000 0.801) 2.780 4.546 ( -1.617 -0.000 4.717) 4.987 4.727 ( -2.101 -0.000 6.876) 7.190 4.922 ( -8.298 -0.000 4.033) 9.226 5.033 ( 0.648 0.000 -15.876) 15.890 5.382 ( 1.691 0.000 -6.129) 6.358 6.226 ( -3.381 -0.000 4.449) 5.588 6.425 ( -8.743 -0.000 1.180) 8.822 8.368 ( 3.439 0.000 -0.046) 3.440 19.732 ( 0.054 0.000 0.100) 0.114 19.773 ( 0.245 0.000 -0.220) 0.329 20.015 ( -1.017 -0.000 -0.601) 1.181 20.401 ( 0.876 0.000 1.431) 1.678 24.830 ( -0.347 -0.000 0.148) 0.377 24.853 ( -0.019 -0.000 0.060) 0.063 31.711 ( -0.199 -0.000 0.068) 0.210 31.754 ( -0.181 -0.000 0.652) 0.676 41.548 ( 3.553 0.000 4.605) 5.816 41.753 ( 2.650 0.000 -4.504) 5.226 43.924 ( 4.647 0.000 -6.308) 7.835 44.147 ( -10.413 -0.000 2.992) 10.834 ======================= Grid point 67 (41/242) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -0.324 -0.506 2.088) 2.173 2.020 ( 3.635 -13.350 2.656) 14.088 2.105 ( -0.204 -4.147 -2.048) 4.629 2.411 ( 1.861 -3.555 0.477) 4.041 2.606 ( -0.898 -4.809 -0.682) 4.939 3.022 ( -6.354 2.991 -2.439) 7.435 3.376 ( -2.216 -3.142 -3.024) 4.891 3.694 ( 1.511 3.651 -2.196) 4.520 4.112 ( 8.811 4.299 5.059) 11.032 4.404 ( -1.321 -5.786 -0.093) 5.936 4.556 ( -0.976 -0.773 1.777) 2.169 4.715 ( -2.632 1.176 4.058) 4.978 4.902 ( -2.682 -2.826 4.368) 5.853 4.981 ( -1.072 -2.084 -11.517) 11.753 5.415 ( 0.967 -5.243 -2.692) 5.972 6.240 ( 0.358 -0.935 3.491) 3.632 6.349 ( -6.383 -1.331 -0.498) 6.539 8.382 ( 1.877 2.085 0.139) 2.809 19.743 ( 0.079 -1.202 0.288) 1.239 19.777 ( 0.099 -0.360 -0.320) 0.491 20.008 ( -0.422 -0.417 -0.320) 0.674 20.398 ( 0.304 1.768 0.706) 1.928 24.827 ( -0.180 0.061 0.181) 0.262 24.849 ( -0.009 0.365 -0.080) 0.374 31.702 ( -0.035 0.876 0.086) 0.881 31.749 ( -0.151 0.689 0.256) 0.751 41.624 ( 1.769 -3.145 1.786) 4.026 41.835 ( 1.482 -9.789 -1.586) 10.027 43.937 ( 3.723 1.199 -4.059) 5.637 44.038 ( -6.326 3.485 2.237) 7.561 ======================= Grid point 68 (42/242) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -0.000 -0.634 -0.000) 0.634 2.175 ( -0.000 -6.250 -0.000) 6.250 2.246 ( -0.000 -7.429 -0.000) 7.429 2.577 ( -0.000 -16.492 -0.000) 16.492 2.677 ( -0.000 -4.439 -0.000) 4.439 2.928 ( 0.000 2.923 0.000) 2.923 3.423 ( -0.000 -5.630 -0.000) 5.630 3.600 ( 0.000 8.592 0.000) 8.592 4.093 ( 0.000 6.005 0.000) 6.005 4.518 ( -0.000 -8.336 -0.000) 8.336 4.561 ( -0.000 -0.137 -0.000) 0.137 4.692 ( 0.000 0.354 0.000) 0.354 4.937 ( -0.000 -0.187 -0.000) 0.187 5.020 ( -0.000 -9.487 -0.000) 9.487 5.534 ( -0.000 -9.270 -0.000) 9.270 6.262 ( 0.000 0.287 0.000) 0.287 6.352 ( -0.000 -4.703 -0.000) 4.703 8.349 ( 0.000 3.373 0.000) 3.373 19.774 ( -0.000 -2.472 -0.000) 2.472 19.783 ( -0.000 -0.513 -0.000) 0.513 20.013 ( -0.000 -0.576 -0.000) 0.576 20.363 ( 0.000 2.974 0.000) 2.974 24.826 ( 0.000 0.075 0.000) 0.075 24.841 ( 0.000 0.635 0.000) 0.635 31.685 ( 0.000 1.264 0.000) 1.264 31.733 ( 0.000 1.263 0.000) 1.263 41.700 ( -0.000 -4.736 -0.000) 4.736 42.069 ( -0.000 -18.341 -0.000) 18.341 43.922 ( 0.000 6.781 0.000) 6.781 43.927 ( 0.000 1.523 0.000) 1.523 ======================= Grid point 81 (43/242) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.000 0.000 -0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 -0.000) 0.000 2.998 ( 0.000 0.000 -0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 -0.000) 0.000 4.346 ( -0.000 -0.000 0.000) 0.000 4.549 ( 0.000 0.000 -0.000) 0.000 4.718 ( 0.000 0.000 -0.000) 0.000 4.859 ( 0.000 0.000 -0.000) 0.000 4.946 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 -0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.278 ( -0.000 -0.000 -0.000) 0.000 8.409 ( 0.000 0.000 -0.000) 0.000 19.734 ( 0.000 0.000 -0.000) 0.000 19.774 ( 0.000 0.000 0.000) 0.000 20.001 ( 0.000 0.000 0.000) 0.000 20.416 ( 0.000 0.000 0.000) 0.000 24.827 ( 0.000 0.000 -0.000) 0.000 24.852 ( 0.000 0.000 0.000) 0.000 31.709 ( 0.000 0.000 0.000) 0.000 31.755 ( 0.000 0.000 0.000) 0.000 41.616 ( 0.000 0.000 -0.000) 0.000 41.758 ( 0.000 0.000 -0.000) 0.000 43.960 ( 0.000 0.000 -0.000) 0.000 44.035 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 149 (44/242) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -3.467 -0.000 18.713) 19.032 0.600 ( 4.763 0.000 27.923) 28.326 0.976 ( 15.926 0.000 45.454) 48.163 1.856 ( 1.385 0.000 -7.409) 7.538 2.043 ( -0.572 -0.000 -4.900) 4.933 2.737 ( 1.927 0.000 2.424) 3.096 3.329 ( 1.979 0.000 -1.571) 2.527 3.611 ( -2.549 -0.000 -16.082) 16.283 4.296 ( -0.364 -0.000 -3.538) 3.557 4.487 ( 2.938 0.000 -1.493) 3.296 5.028 ( 9.432 0.000 1.027) 9.488 5.063 ( -1.577 -0.000 1.763) 2.365 5.104 ( -55.946 -0.000 -0.439) 55.948 5.387 ( -0.545 -0.000 -0.870) 1.026 6.126 ( -0.126 -0.000 2.355) 2.358 6.229 ( 0.029 0.000 4.888) 4.888 7.864 ( 22.647 0.000 -3.065) 22.854 8.453 ( 0.521 0.000 0.016) 0.522 19.679 ( -0.553 -0.000 -0.630) 0.838 19.776 ( 0.564 0.000 0.645) 0.857 20.104 ( 2.549 0.000 0.359) 2.574 20.159 ( -0.157 -0.000 -0.314) 0.351 24.803 ( -2.002 -0.000 -1.093) 2.282 24.857 ( -3.401 -0.000 1.083) 3.570 31.694 ( -0.961 -0.000 -0.860) 1.289 31.766 ( 0.075 0.000 0.939) 0.942 40.836 ( 0.171 0.000 3.589) 3.593 41.498 ( -0.173 -0.000 -3.488) 3.492 45.313 ( 102.787 0.000 -1.238) 102.794 45.498 ( 7.950 0.000 1.248) 8.047 ======================= Grid point 150 (45/242) ======================= q-point: ( 0.08 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 3.469 -10.226 16.881) 20.039 0.916 ( 9.163 -13.733 20.199) 26.088 1.614 ( 24.675 -16.706 32.026) 43.745 1.867 ( 1.824 -1.978 -8.604) 9.015 2.082 ( 6.441 -4.914 -5.050) 9.546 2.871 ( -1.087 -10.104 -2.361) 10.433 3.279 ( -4.682 3.702 -6.368) 8.728 3.548 ( 0.421 -3.676 -13.904) 14.387 4.292 ( -5.198 0.998 4.595) 7.009 4.505 ( -16.181 -7.051 0.675) 17.664 4.574 ( -3.974 2.475 4.748) 6.668 5.064 ( -1.275 0.853 4.264) 4.531 5.113 ( 5.115 3.694 -1.369) 6.456 5.553 ( -5.535 -15.948 -8.877) 19.073 6.071 ( 0.374 5.575 0.002) 5.588 6.306 ( 7.264 1.805 6.687) 10.036 7.827 ( 5.890 15.042 -2.880) 16.409 8.402 ( -5.087 1.984 -0.534) 5.486 19.685 ( -0.117 -1.650 -0.762) 1.821 19.793 ( 0.017 -0.980 -1.310) 1.636 20.111 ( 0.202 1.087 2.726) 2.941 20.150 ( 0.854 0.774 -0.616) 1.307 24.786 ( -0.247 -0.113 -0.571) 0.632 24.849 ( 0.174 0.275 1.177) 1.221 31.674 ( -0.021 0.868 -0.707) 1.119 31.765 ( -0.206 0.752 1.236) 1.461 41.205 ( -7.802 -33.267 -11.702) 36.118 41.558 ( 0.488 -10.387 -2.626) 10.725 45.242 ( -14.024 10.265 -6.139) 18.432 45.648 ( 20.292 33.225 5.924) 39.380 ======================= Grid point 151 (46/242) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 5.105 -11.673 10.444) 16.474 1.343 ( 8.969 -14.674 11.652) 20.774 1.853 ( 1.300 -0.588 -9.608) 9.713 2.136 ( 8.459 -8.875 -6.256) 13.764 2.365 ( 18.660 -12.629 15.778) 27.507 2.963 ( -1.441 -6.940 -3.600) 7.950 3.156 ( -7.743 -2.862 -2.742) 8.699 3.537 ( 1.776 0.179 -8.594) 8.777 4.171 ( -10.922 3.626 9.677) 15.036 4.466 ( -2.041 -1.155 1.398) 2.730 4.703 ( -0.203 -11.913 -2.111) 12.100 5.024 ( 2.506 7.139 3.254) 8.236 5.103 ( -2.805 -2.275 -1.313) 3.843 5.649 ( -5.570 -9.627 -5.849) 12.566 5.983 ( -0.807 4.128 -1.479) 4.459 6.395 ( 10.971 3.424 4.702) 12.418 7.613 ( -2.975 11.575 -1.204) 12.011 8.282 ( -7.728 3.035 -1.784) 8.492 19.723 ( 0.500 -3.089 -0.007) 3.129 19.793 ( -0.229 -1.174 -3.373) 3.579 20.113 ( -0.161 1.363 5.091) 5.273 20.145 ( 0.885 0.607 -1.470) 1.820 24.787 ( 0.380 -0.150 -0.452) 0.609 24.851 ( 0.317 0.554 0.815) 1.035 31.659 ( 0.432 0.847 -1.336) 1.640 31.751 ( -0.510 1.316 1.809) 2.295 41.480 ( -5.017 -20.050 -9.231) 22.636 41.796 ( -2.730 -19.683 -0.682) 19.883 44.799 ( -18.670 15.431 -10.746) 26.498 45.318 ( 0.972 25.863 13.647) 29.259 ======================= Grid point 152 (47/242) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 3.927 -9.422 2.423) 10.491 1.588 ( -3.478 -4.717 0.040) 5.861 1.855 ( 4.442 -3.037 -7.981) 9.626 2.226 ( 0.175 -8.456 -11.247) 14.072 2.780 ( 14.936 -6.098 8.290) 18.138 3.073 ( -6.137 -5.164 -6.074) 10.061 3.213 ( 9.071 -9.228 10.309) 16.545 3.521 ( 3.107 0.073 -5.569) 6.377 4.050 ( -7.916 3.432 5.755) 10.372 4.478 ( 0.578 0.343 2.127) 2.230 4.768 ( -2.697 2.630 -0.156) 3.770 4.989 ( -0.162 -0.064 -1.759) 1.768 5.111 ( -2.454 -4.043 -1.424) 4.939 5.718 ( -2.010 -8.727 -1.193) 9.035 5.907 ( -2.852 3.050 -0.936) 4.279 6.501 ( 13.008 2.251 1.441) 13.280 7.411 ( -7.968 5.352 1.416) 9.702 8.127 ( -8.834 3.179 -2.196) 9.642 19.783 ( -0.146 -2.956 0.962) 3.113 19.807 ( 0.709 -3.150 -3.158) 4.516 20.103 ( -0.302 2.819 4.401) 5.236 20.138 ( 0.767 0.212 -1.787) 1.956 24.793 ( 0.490 -0.093 -0.091) 0.507 24.846 ( 0.048 0.743 0.422) 0.856 31.642 ( 0.568 0.872 -2.252) 2.480 31.733 ( -0.647 1.394 2.597) 3.017 41.685 ( -2.906 -15.670 -3.605) 16.340 42.055 ( -3.498 -16.341 2.543) 16.903 44.279 ( -17.069 15.363 -13.896) 26.841 45.027 ( -2.508 17.041 9.834) 19.834 ======================= Grid point 153 (48/242) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -3.953 -3.788 -3.861) 6.699 1.534 ( -3.999 -1.966 -3.054) 5.403 1.930 ( 3.065 -4.030 -3.633) 6.232 2.382 ( 3.845 -10.445 -2.437) 11.394 2.979 ( -1.117 0.259 -1.155) 1.627 3.049 ( 8.078 -2.917 1.365) 8.697 3.484 ( 3.510 -2.664 -0.752) 4.470 3.615 ( 9.681 -7.748 5.149) 13.427 3.941 ( -4.403 2.840 0.039) 5.240 4.453 ( -2.487 4.755 4.018) 6.704 4.671 ( 1.313 3.457 -5.961) 7.015 4.936 ( -2.386 1.920 -5.373) 6.185 5.146 ( -2.115 -4.123 -2.539) 5.283 5.786 ( -3.471 6.105 -3.283) 7.753 5.889 ( 0.530 -11.328 3.599) 11.898 6.611 ( 12.202 2.749 -1.895) 12.650 7.307 ( -9.533 -2.143 8.737) 13.108 7.971 ( -8.440 2.726 -1.299) 8.964 19.813 ( -0.753 -1.858 -0.170) 2.012 19.872 ( 0.076 -4.118 -0.290) 4.129 20.064 ( -0.026 3.531 2.105) 4.111 20.143 ( 1.423 -0.301 -1.095) 1.820 24.800 ( 0.459 0.027 0.263) 0.529 24.835 ( -0.196 0.644 -0.016) 0.673 31.619 ( 0.234 0.880 -3.394) 3.514 31.723 ( -0.364 1.009 3.463) 3.625 41.859 ( -3.106 -10.924 1.181) 11.418 42.247 ( -2.743 -10.085 4.650) 11.439 43.842 ( -10.228 10.710 -12.695) 19.506 44.817 ( -3.270 9.881 3.241) 10.901 ======================= Grid point 154 (49/242) ======================= q-point: ( 0.42 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 1.294 -1.047 8.651) 8.810 1.566 ( 0.099 -4.186 -0.545) 4.223 2.024 ( 1.638 -4.885 2.145) 5.581 2.538 ( 2.169 -4.505 -0.417) 5.017 2.947 ( 0.831 -0.491 -2.289) 2.484 3.191 ( 6.503 -0.412 2.443) 6.959 3.478 ( -0.045 3.254 0.783) 3.348 3.844 ( 0.287 -8.002 -2.297) 8.330 3.890 ( 3.962 0.406 -2.529) 4.718 4.331 ( -2.579 6.864 2.009) 7.603 4.639 ( 3.802 0.802 -9.062) 9.860 4.863 ( -1.266 0.191 -5.401) 5.551 5.177 ( -0.453 -4.243 -4.192) 5.981 5.610 ( -2.275 6.983 -10.414) 12.743 6.067 ( -1.697 -6.825 7.554) 10.321 6.663 ( 8.923 2.807 -4.941) 10.578 7.336 ( -7.473 -4.367 16.390) 18.535 7.846 ( -6.433 1.740 0.314) 6.671 19.817 ( -1.672 -0.115 0.188) 1.686 19.918 ( -1.071 -2.592 -0.647) 2.878 20.025 ( 0.844 2.353 0.339) 2.522 20.174 ( 2.127 -1.143 0.641) 2.499 24.803 ( 0.170 0.283 0.386) 0.508 24.825 ( -0.101 0.156 -0.250) 0.312 31.588 ( -0.279 0.583 -4.164) 4.214 31.728 ( 0.126 0.548 3.858) 3.899 41.958 ( -4.023 -5.035 3.770) 7.467 42.360 ( -0.472 -3.723 4.736) 6.043 43.614 ( -1.408 3.180 -6.876) 7.706 44.660 ( -4.039 4.986 -3.771) 7.443 ======================= Grid point 155 (50/242) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 12.224 -0.599 16.752) 20.747 1.629 ( -1.331 -2.257 5.686) 6.260 2.150 ( 2.273 -5.525 8.258) 10.192 2.564 ( 0.681 1.960 -1.133) 2.364 2.984 ( 2.372 -2.027 -1.113) 3.312 3.197 ( -1.267 4.197 0.282) 4.393 3.453 ( 1.806 0.146 -0.989) 2.064 3.848 ( 1.676 3.136 -5.772) 6.780 3.937 ( -4.624 -3.796 -2.523) 6.493 4.234 ( 0.969 4.580 0.473) 4.705 4.631 ( 4.640 -0.591 -11.286) 12.217 4.869 ( 1.249 -3.653 -3.163) 4.991 5.235 ( -0.161 -4.771 -1.491) 5.001 5.438 ( 1.809 4.084 -17.909) 18.458 6.109 ( -4.921 1.490 6.611) 8.375 6.701 ( 5.191 -0.586 -4.054) 6.613 7.379 ( -6.703 1.193 18.535) 19.746 7.796 ( -1.294 -1.173 1.399) 2.238 19.785 ( -1.469 1.407 -0.409) 2.075 19.926 ( -1.161 -1.123 -1.813) 2.428 20.013 ( 1.136 1.246 0.515) 1.763 20.223 ( 1.315 -1.310 2.118) 2.816 24.799 ( -0.187 0.219 0.105) 0.307 24.826 ( 0.151 -0.180 -0.033) 0.237 31.559 ( -0.311 -0.201 -4.283) 4.299 31.742 ( 0.239 0.348 3.690) 3.714 41.975 ( -3.501 -0.724 3.791) 5.211 42.407 ( 3.213 2.623 4.822) 6.361 43.638 ( 5.719 -4.511 0.545) 7.304 44.517 ( -5.099 2.416 -10.647) 12.049 ======================= Grid point 156 (51/242) ======================= q-point: (-0.42 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 2.879 0.193 0.147) 2.889 1.657 ( 2.207 4.432 18.319) 18.977 2.275 ( -1.581 1.411 8.460) 8.722 2.576 ( 8.678 -1.362 7.342) 11.449 2.997 ( -1.698 2.632 -7.308) 7.951 3.130 ( -1.400 -1.432 6.245) 6.559 3.412 ( -3.280 5.183 -13.538) 14.863 3.761 ( -2.574 2.536 6.262) 7.230 3.879 ( -1.657 4.054 -5.516) 7.043 4.226 ( 3.535 -0.587 -1.674) 3.955 4.665 ( 5.536 -2.829 -8.982) 10.923 4.945 ( 1.377 -4.868 -3.023) 5.893 5.222 ( -5.385 1.854 0.084) 5.695 5.454 ( 11.665 -7.084 -16.069) 21.082 5.984 ( -6.115 8.697 2.769) 10.986 6.751 ( -0.753 -3.943 -2.098) 4.530 7.326 ( -4.907 7.002 16.213) 18.329 7.867 ( 4.125 -4.125 1.219) 5.960 19.749 ( -0.262 1.312 -0.837) 1.578 19.917 ( -0.630 -0.620 -2.626) 2.771 20.006 ( 0.968 1.955 1.265) 2.522 20.256 ( -0.442 -0.739 2.560) 2.701 24.797 ( -0.188 -0.155 0.103) 0.265 24.831 ( 0.048 -0.259 0.010) 0.263 31.549 ( 0.193 -1.247 -3.813) 4.016 31.755 ( -0.085 0.372 3.175) 3.198 41.951 ( -2.014 1.861 2.968) 4.041 42.406 ( 7.924 8.616 6.742) 13.508 43.871 ( 10.501 -10.754 5.246) 15.920 44.356 ( -5.798 1.493 -17.421) 18.422 ======================= Grid point 157 (52/242) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -7.561 8.167 5.130) 12.255 1.657 ( -0.833 7.261 2.970) 7.889 2.177 ( -4.624 4.491 1.813) 6.696 2.763 ( -3.161 5.037 6.487) 8.800 2.878 ( 0.735 4.562 3.001) 5.509 3.074 ( -5.858 9.264 -12.694) 16.771 3.244 ( 3.934 -3.822 4.860) 7.329 3.727 ( 2.083 9.281 -2.809) 9.918 3.833 ( 1.612 -3.925 6.296) 7.593 4.289 ( 3.076 -3.500 -4.061) 6.181 4.747 ( 5.173 -3.145 -3.232) 6.863 5.010 ( 1.252 -4.172 -4.750) 6.444 5.134 ( -4.353 2.360 0.734) 5.005 5.667 ( 11.888 -8.170 -5.789) 15.543 5.752 ( -3.707 12.227 -3.094) 13.146 6.766 ( -9.016 -4.282 2.026) 10.184 7.258 ( 0.770 4.739 7.916) 9.259 8.006 ( 6.565 -4.903 -0.170) 8.196 19.732 ( 0.774 0.695 -0.549) 1.176 19.906 ( 0.387 0.146 -3.718) 3.741 19.986 ( 0.548 2.420 2.351) 3.418 20.260 ( -2.098 -0.110 2.309) 3.121 24.801 ( -0.095 -0.469 0.315) 0.573 24.835 ( -0.268 -0.398 -0.014) 0.480 31.565 ( 0.859 -2.122 -3.014) 3.785 31.759 ( -0.562 0.402 2.571) 2.663 41.898 ( -1.250 4.322 2.335) 5.069 42.399 ( 14.438 13.338 11.595) 22.821 44.113 ( -0.508 1.205 -26.076) 26.109 44.287 ( 8.055 -13.854 6.253) 17.202 ======================= Grid point 158 (53/242) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -10.765 13.395 7.268) 18.658 1.421 ( -11.502 12.192 -4.250) 17.292 2.102 ( -2.613 1.763 1.620) 3.544 2.384 ( -17.729 26.000 -10.592) 33.204 2.545 ( -11.129 6.949 -4.500) 13.871 3.227 ( 9.562 -2.163 14.281) 17.323 3.303 ( 6.765 8.100 0.263) 10.557 3.650 ( 6.700 3.108 -1.911) 7.629 3.981 ( 2.003 -7.055 9.665) 12.133 4.344 ( 0.402 -3.566 -4.911) 6.083 4.815 ( 3.552 1.906 -0.369) 4.048 5.041 ( -2.742 4.344 4.453) 6.798 5.075 ( -1.176 -5.312 -2.311) 5.912 5.551 ( 5.122 7.036 -10.773) 13.849 5.887 ( 9.755 -4.819 1.047) 10.931 6.706 ( -12.406 -1.245 7.898) 14.759 7.283 ( 0.573 -4.649 -3.552) 5.879 8.156 ( 7.258 -4.488 -1.619) 8.686 19.737 ( 1.380 0.270 0.342) 1.447 19.869 ( 0.431 2.635 -4.928) 5.605 19.983 ( 0.955 0.573 3.477) 3.651 20.238 ( -3.119 0.264 1.449) 3.450 24.811 ( -0.000 -0.510 0.323) 0.604 24.839 ( -0.849 -0.907 0.360) 1.293 31.602 ( 1.240 -2.475 -2.175) 3.520 31.757 ( -0.868 0.273 2.059) 2.251 41.807 ( -1.315 6.541 1.578) 6.856 42.456 ( 25.127 16.916 21.430) 37.104 43.821 ( -4.004 8.496 -44.210) 45.196 44.720 ( 11.804 -17.552 8.348) 22.739 ======================= Grid point 159 (54/242) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -11.449 17.874 6.856) 22.306 1.006 ( -21.000 13.300 -3.935) 25.166 1.698 ( -15.159 32.948 3.571) 36.444 2.050 ( -1.231 2.895 -1.907) 3.679 2.291 ( -10.500 5.664 -5.246) 13.032 3.170 ( 8.216 15.234 -6.903) 18.634 3.351 ( 2.859 1.852 5.706) 6.645 3.709 ( 5.869 1.384 2.465) 6.514 4.195 ( 1.047 -9.733 13.251) 16.474 4.375 ( 0.451 -3.086 -1.692) 3.548 4.705 ( 1.599 11.828 -2.550) 12.205 5.018 ( -3.978 -2.760 5.594) 7.398 5.143 ( 0.447 -4.186 -1.778) 4.570 5.581 ( 14.821 -2.158 -8.881) 17.412 6.035 ( 6.789 -0.778 1.860) 7.082 6.628 ( -13.694 -1.902 9.839) 16.969 7.341 ( -5.997 -9.468 -8.738) 14.211 8.290 ( 7.094 -3.262 -2.324) 8.147 19.756 ( 1.548 0.018 1.145) 1.925 19.795 ( 0.082 3.614 -4.363) 5.666 20.015 ( 1.544 -0.257 3.272) 3.628 20.199 ( -3.361 0.332 -0.011) 3.377 24.817 ( -0.045 -0.232 -0.310) 0.390 24.852 ( -1.873 -2.277 1.508) 3.312 31.645 ( 1.007 -2.263 -1.283) 2.789 31.754 ( -0.786 -0.028 1.609) 1.791 41.684 ( -1.561 7.102 0.026) 7.271 42.706 ( 48.350 19.998 40.191) 65.977 43.241 ( -7.197 25.950 -69.229) 74.282 45.141 ( 8.516 -15.400 6.091) 18.622 ======================= Grid point 160 (55/242) ======================= q-point: (-0.08 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -8.416 18.040 8.629) 21.696 0.602 ( -16.051 10.817 14.013) 23.896 1.100 ( -8.299 32.684 26.317) 42.775 1.949 ( -1.230 4.902 -7.400) 8.961 2.112 ( -5.697 1.878 -4.134) 7.285 2.936 ( 5.645 19.140 -10.941) 22.758 3.339 ( 1.430 2.942 0.143) 3.275 3.708 ( -2.256 0.972 -4.878) 5.462 4.326 ( -1.806 -1.262 2.124) 3.060 4.482 ( 2.539 1.507 2.054) 3.596 4.661 ( 11.877 -7.627 9.908) 17.245 5.049 ( -2.516 -2.710 2.266) 4.337 5.196 ( -8.331 -9.080 0.369) 12.328 5.787 ( 16.472 0.452 -10.999) 19.812 6.076 ( 0.208 0.091 -2.630) 2.640 6.462 ( -33.048 -2.344 -3.607) 33.327 7.432 ( 6.711 -9.822 9.982) 15.529 8.394 ( 5.925 -1.728 -1.268) 6.300 19.718 ( -0.961 2.463 -3.215) 4.163 19.780 ( 1.999 1.198 0.829) 2.473 20.053 ( 2.018 -0.346 3.264) 3.853 20.162 ( -2.141 -0.339 -0.599) 2.249 24.816 ( -0.343 -0.297 -0.702) 0.836 24.879 ( -4.520 -4.154 0.973) 6.216 31.681 ( 0.011 -2.125 -0.316) 2.148 31.758 ( -0.243 -0.300 1.135) 1.198 41.561 ( -1.755 5.204 -3.115) 6.314 41.964 ( -12.551 76.010 -74.846) 107.410 43.533 ( 105.826 7.831 67.215) 125.612 45.424 ( 1.850 -9.140 3.241) 9.873 ======================= Grid point 162 (56/242) ======================= q-point: ( 0.08 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 11.476 0.000 14.059) 18.148 0.960 ( 5.381 0.000 25.221) 25.788 1.862 ( 5.913 0.000 -9.600) 11.275 1.948 ( 19.787 0.000 15.915) 25.393 2.135 ( 18.534 0.000 6.825) 19.751 2.820 ( 2.020 0.000 1.912) 2.782 3.327 ( -4.492 -0.000 -24.150) 24.564 3.339 ( 0.413 0.000 -0.531) 0.672 4.245 ( -20.382 -0.000 13.072) 24.213 4.269 ( 1.740 0.000 -4.585) 4.904 4.582 ( 0.929 0.000 -1.380) 1.664 5.006 ( -5.374 -0.000 4.283) 6.872 5.276 ( 5.556 0.000 -4.191) 6.959 5.355 ( -0.681 -0.000 -2.693) 2.778 6.075 ( -6.613 -0.000 2.570) 7.095 6.473 ( 11.065 0.000 8.775) 14.122 7.884 ( -9.461 -0.000 -10.302) 13.988 8.339 ( -6.762 -0.000 -2.730) 7.292 19.668 ( 0.183 0.000 -0.444) 0.480 19.791 ( 0.151 0.000 0.448) 0.473 20.130 ( 0.731 0.000 1.449) 1.623 20.160 ( 0.367 0.000 -1.131) 1.189 24.785 ( 0.687 0.000 -0.740) 1.010 24.862 ( 0.471 0.000 1.063) 1.162 31.678 ( -0.044 -0.000 -0.449) 0.452 31.775 ( -0.179 -0.000 1.229) 1.242 40.921 ( 3.543 0.000 4.825) 5.987 41.481 ( 2.236 0.000 -4.703) 5.208 45.066 ( -22.001 -0.000 -10.995) 24.595 45.918 ( -15.600 -0.000 2.657) 15.824 ======================= Grid point 163 (57/242) ======================= q-point: ( 0.17 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 10.433 -3.392 14.564) 18.234 1.274 ( 7.639 -13.465 16.861) 22.889 1.861 ( 4.895 2.503 -9.414) 10.902 2.057 ( 3.033 -2.258 -14.322) 14.812 2.570 ( 23.691 -5.690 20.465) 31.819 2.869 ( -0.191 -3.981 -0.974) 4.103 3.098 ( 1.569 4.224 -7.316) 8.592 3.464 ( 0.766 -7.481 -5.037) 9.052 4.114 ( -12.167 0.785 9.692) 15.575 4.354 ( 1.575 -9.162 -3.307) 9.867 4.593 ( 1.938 -1.391 -2.734) 3.628 4.992 ( -6.266 -2.842 5.662) 8.911 5.187 ( 0.387 7.665 -3.275) 8.344 5.438 ( -0.891 -8.435 -6.148) 10.476 5.979 ( -8.333 1.841 1.727) 8.707 6.619 ( 11.069 3.433 9.639) 15.074 7.630 ( -16.013 5.681 -6.337) 18.134 8.223 ( -6.752 2.307 -5.242) 8.854 19.687 ( 0.611 -1.978 -0.081) 2.072 19.783 ( 0.145 0.837 -0.975) 1.293 20.150 ( 0.702 0.312 -1.375) 1.575 20.154 ( 0.628 0.375 3.070) 3.156 24.791 ( 0.911 -0.010 -0.567) 1.073 24.868 ( 0.258 0.451 0.992) 1.120 31.672 ( 0.471 0.722 -0.559) 1.027 31.772 ( -0.396 0.822 1.501) 1.757 41.126 ( 2.226 -15.205 1.253) 15.418 41.569 ( 2.526 -9.960 -2.790) 10.648 44.672 ( -23.345 7.474 -15.671) 29.093 45.595 ( -19.263 14.131 9.343) 25.652 ======================= Grid point 164 (58/242) ======================= q-point: ( 0.25 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 7.575 -2.456 7.043) 10.631 1.566 ( 4.337 -1.141 4.603) 6.426 1.832 ( 3.689 -2.139 -5.540) 6.992 2.048 ( 1.844 -6.843 -12.709) 14.551 2.893 ( 0.991 -4.294 2.159) 4.908 2.936 ( 9.680 -3.802 1.528) 10.512 3.233 ( 10.746 -7.856 8.149) 15.608 3.536 ( 4.283 -1.750 -3.273) 5.667 4.022 ( -8.728 1.481 6.646) 11.070 4.485 ( 1.627 -3.746 1.442) 4.331 4.668 ( -1.010 -7.711 -1.234) 7.874 4.978 ( -6.710 -0.092 1.747) 6.934 5.052 ( -1.011 3.533 -4.607) 5.893 5.533 ( -1.145 -9.509 -4.841) 10.731 5.873 ( -8.025 0.382 0.640) 8.060 6.711 ( 9.415 4.449 6.843) 12.461 7.335 ( -17.690 3.459 -2.588) 18.210 8.078 ( -5.301 3.551 -5.428) 8.377 19.738 ( 0.646 -3.166 0.227) 3.239 19.772 ( 0.461 -0.419 -2.113) 2.203 20.130 ( -0.730 0.545 -1.876) 2.085 20.176 ( 1.841 1.667 4.518) 5.156 24.800 ( 0.865 0.002 -0.233) 0.896 24.862 ( -0.114 0.897 0.777) 1.192 31.658 ( 0.729 1.338 -1.231) 1.959 31.758 ( -0.581 1.156 2.054) 2.428 41.400 ( 1.512 -15.986 -0.062) 16.058 41.798 ( 0.947 -15.656 1.244) 15.734 44.202 ( -18.065 10.170 -17.696) 27.256 45.210 ( -16.417 13.546 7.862) 22.690 ======================= Grid point 165 (59/242) ======================= q-point: ( 0.33 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 6.953 0.574 2.744) 7.497 1.560 ( 6.298 3.717 -0.962) 7.376 1.909 ( 3.958 -2.195 -1.824) 4.879 2.253 ( 7.081 -12.827 -1.063) 14.691 2.905 ( -3.172 -3.000 -2.782) 5.178 3.135 ( 10.378 -2.488 2.694) 11.007 3.476 ( 4.137 -6.301 3.659) 8.379 3.619 ( 4.718 -2.509 1.138) 5.464 3.929 ( -5.749 2.103 1.417) 6.283 4.524 ( 0.373 2.414 4.369) 5.005 4.685 ( -2.080 1.833 -3.748) 4.661 4.885 ( -4.213 -0.230 -6.592) 7.827 5.044 ( -2.566 -4.081 0.037) 4.821 5.692 ( -1.259 -12.431 -0.235) 12.497 5.776 ( -6.777 0.430 -1.736) 7.009 6.759 ( 4.705 3.108 1.222) 5.770 7.143 ( -14.856 -4.048 3.747) 15.847 7.950 ( -2.355 4.199 -3.454) 5.925 19.772 ( 0.147 -1.419 -2.273) 2.684 19.810 ( 0.131 -3.872 0.451) 3.900 20.096 ( -1.266 1.245 -1.720) 2.472 20.191 ( 2.673 2.159 4.232) 5.451 24.808 ( 0.719 0.027 0.061) 0.722 24.846 ( -0.376 1.069 0.379) 1.195 31.631 ( 0.456 1.912 -2.328) 3.047 31.748 ( -0.441 0.797 2.736) 2.883 41.652 ( 0.391 -13.354 2.107) 13.525 42.060 ( -0.013 -14.501 3.845) 15.002 43.817 ( -8.478 8.160 -15.030) 19.088 44.882 ( -14.098 9.337 2.341) 17.071 ======================= Grid point 166 (60/242) ======================= q-point: ( 0.42 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 16.019 -1.469 17.156) 23.518 1.594 ( 9.288 2.610 -3.130) 10.143 1.993 ( 2.667 -3.555 2.841) 5.274 2.498 ( 6.655 -7.156 0.292) 9.776 2.918 ( 0.194 -2.447 -1.544) 2.899 3.261 ( 5.320 -0.611 1.850) 5.666 3.549 ( -0.049 4.412 1.659) 4.714 3.681 ( -4.721 -8.156 -0.808) 9.458 3.876 ( -1.255 -1.298 -4.994) 5.310 4.446 ( 0.343 7.458 0.566) 7.487 4.645 ( 2.021 0.553 -4.734) 5.177 4.814 ( -2.306 -0.124 -6.626) 7.017 5.089 ( -1.357 -4.402 -0.623) 4.648 5.603 ( -6.278 4.242 -9.708) 12.315 5.926 ( -2.094 -12.171 5.698) 13.601 6.716 ( -3.153 1.477 -2.657) 4.380 7.180 ( -9.237 -10.754 11.457) 18.227 7.864 ( 1.427 4.382 -0.820) 4.681 19.780 ( -0.743 -1.343 -2.404) 2.852 19.872 ( -0.223 -3.109 1.405) 3.419 20.050 ( -0.865 1.553 -2.081) 2.737 20.215 ( 2.775 1.248 3.616) 4.726 24.814 ( 0.401 0.322 0.393) 0.647 24.827 ( -0.294 0.639 -0.142) 0.717 31.589 ( 0.178 1.966 -3.139) 3.708 31.751 ( -0.265 0.256 3.029) 3.052 41.834 ( -1.644 -8.448 3.914) 9.455 42.286 ( 1.915 -10.177 4.612) 11.337 43.628 ( 1.146 3.088 -7.891) 8.551 44.613 ( -13.144 4.839 -4.537) 14.723 ======================= Grid point 167 (61/242) ======================= q-point: (-0.50 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 9.951 3.046 -2.225) 10.642 1.726 ( 13.409 0.324 22.987) 26.614 2.134 ( 5.625 -6.875 7.692) 11.750 2.612 ( 4.359 0.384 0.039) 4.376 2.964 ( 1.303 -2.380 -0.421) 2.745 3.249 ( -3.674 5.810 0.298) 6.881 3.454 ( -2.334 0.554 -1.923) 3.075 3.771 ( -5.374 -7.871 -3.196) 10.052 3.847 ( 0.149 -0.228 -4.068) 4.077 4.358 ( 4.545 6.096 -2.683) 8.063 4.624 ( 2.332 1.266 -7.637) 8.085 4.802 ( 0.665 -3.405 -5.322) 6.353 5.149 ( -0.824 -4.818 -0.038) 4.888 5.421 ( -0.655 3.763 -17.046) 17.469 6.055 ( -5.274 -4.856 6.189) 9.471 6.655 ( -5.752 -2.097 -2.696) 6.690 7.305 ( -10.612 -8.770 16.548) 21.525 7.847 ( 6.162 2.820 0.752) 6.819 19.774 ( -0.720 -0.344 -1.700) 1.878 19.908 ( -0.403 -0.671 1.731) 1.900 20.022 ( 0.219 -0.123 -2.373) 2.386 20.243 ( 1.341 0.454 2.796) 3.134 24.805 ( -0.151 0.724 0.238) 0.776 24.825 ( 0.175 -0.124 -0.124) 0.248 31.549 ( 0.492 1.288 -3.407) 3.675 31.760 ( -0.502 -0.028 2.923) 2.966 41.925 ( -2.208 -3.798 3.911) 5.882 42.475 ( 6.407 -4.811 5.329) 9.622 43.657 ( 7.093 -2.700 0.278) 7.595 44.378 ( -13.241 1.225 -11.499) 17.580 ======================= Grid point 168 (62/242) ======================= q-point: (-0.42 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 5.114 4.818 0.492) 7.043 1.859 ( 4.311 5.189 12.313) 14.040 2.319 ( -1.293 0.976 7.723) 7.891 2.701 ( 13.197 -4.478 7.373) 15.766 2.989 ( -0.719 2.026 -5.388) 5.802 3.090 ( -7.419 1.109 2.974) 8.069 3.378 ( -5.675 3.849 -10.553) 12.585 3.759 ( -2.267 -1.878 5.246) 6.016 3.892 ( 3.427 -1.094 -3.525) 5.037 4.315 ( 4.795 5.412 -1.837) 7.461 4.621 ( 4.002 -3.196 -10.598) 11.771 4.860 ( 1.299 -4.906 -4.949) 7.088 5.162 ( -6.525 -0.635 0.600) 6.583 5.395 ( 12.112 -5.708 -19.563) 23.707 6.020 ( -6.794 3.232 3.705) 8.387 6.616 ( -8.615 -4.081 -1.765) 9.695 7.359 ( -11.312 -2.693 19.271) 22.508 7.921 ( 9.215 -0.150 0.751) 9.247 19.762 ( 0.252 0.611 -0.506) 0.832 19.910 ( 0.441 0.573 0.402) 0.827 20.027 ( 0.509 -0.549 -1.087) 1.320 20.252 ( -0.929 0.156 1.677) 1.923 24.797 ( 0.006 0.294 0.199) 0.355 24.828 ( -0.031 -0.133 -0.121) 0.182 31.530 ( 1.297 0.143 -3.195) 3.451 31.766 ( -1.091 -0.042 2.613) 2.832 41.957 ( -1.216 -0.703 3.318) 3.603 42.638 ( 11.811 1.210 7.722) 14.163 43.857 ( 9.427 -8.486 5.130) 13.682 44.156 ( -13.314 -1.216 -17.778) 22.244 ======================= Grid point 169 (63/242) ======================= q-point: (-0.33 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -2.338 9.474 3.096) 10.238 1.798 ( -1.608 10.125 2.066) 10.458 2.207 ( -5.036 5.086 2.545) 7.597 2.782 ( -9.503 8.389 -5.756) 13.922 3.003 ( -0.059 7.707 -0.889) 7.758 3.102 ( 9.667 -8.881 0.342) 13.132 3.199 ( -2.113 -1.525 2.465) 3.587 3.842 ( 3.813 -0.767 1.675) 4.235 3.886 ( 3.896 4.118 2.313) 6.122 4.278 ( 1.249 1.625 -2.742) 3.423 4.707 ( 3.288 -6.079 -4.459) 8.224 4.926 ( 2.510 -4.665 -6.719) 8.556 5.097 ( -4.303 -0.098 -1.217) 4.473 5.606 ( 13.317 -10.881 -13.531) 21.882 5.863 ( -4.819 8.452 0.623) 9.750 6.562 ( -12.024 -4.561 -0.655) 12.877 7.337 ( -8.855 2.013 17.149) 19.405 8.049 ( 9.343 -2.099 -0.001) 9.576 19.758 ( 1.185 0.915 0.709) 1.657 19.910 ( 1.526 0.749 -1.200) 2.081 20.029 ( 0.496 0.832 0.455) 1.070 20.235 ( -2.937 -0.117 0.528) 2.987 24.798 ( 0.162 -0.114 0.347) 0.400 24.827 ( -0.316 -0.119 -0.204) 0.394 31.542 ( 2.105 -0.986 -2.739) 3.593 31.763 ( -1.690 -0.007 2.299) 2.853 41.953 ( -0.482 2.118 3.082) 3.771 42.790 ( 16.903 5.893 12.318) 21.730 43.926 ( -10.271 -1.202 -25.824) 27.818 44.182 ( 7.954 -14.543 7.642) 18.253 ======================= Grid point 170 (64/242) ======================= q-point: (-0.25 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -8.673 13.515 2.373) 16.233 1.530 ( -7.765 15.867 1.023) 17.695 2.134 ( 0.601 3.638 1.939) 4.166 2.475 ( -9.601 10.595 -12.730) 19.144 2.657 ( -4.002 20.136 -3.875) 20.892 3.277 ( 0.495 -4.054 2.813) 4.959 3.429 ( 9.335 -7.625 5.339) 13.183 3.766 ( 3.347 7.935 -5.474) 10.204 3.981 ( 3.078 -3.055 6.588) 7.887 4.279 ( 0.230 -2.034 0.084) 2.049 4.803 ( -2.773 -5.608 2.331) 6.676 5.000 ( 1.564 -0.404 -0.829) 1.816 5.060 ( 0.749 -2.141 -3.779) 4.408 5.675 ( 4.034 7.518 -9.604) 12.847 5.882 ( 8.765 -9.438 -1.721) 12.995 6.479 ( -15.060 -4.466 -0.204) 15.710 7.285 ( -4.820 2.818 10.789) 12.148 8.187 ( 7.800 -2.989 -0.769) 8.388 19.767 ( 1.443 0.738 1.643) 2.308 19.895 ( 1.603 2.322 -3.680) 4.637 20.028 ( 0.973 0.908 2.771) 3.074 20.199 ( -3.815 -0.343 -0.470) 3.859 24.806 ( 0.166 -0.345 0.377) 0.538 24.823 ( -0.603 -0.181 -0.085) 0.635 31.578 ( 2.453 -1.683 -2.311) 3.767 31.753 ( -1.955 -0.118 2.096) 2.869 41.904 ( -0.432 5.396 2.785) 6.088 42.961 ( 15.495 5.835 16.326) 23.252 43.699 ( -0.691 2.699 -30.287) 30.415 44.564 ( 5.787 -18.720 5.775) 20.427 ======================= Grid point 171 (65/242) ======================= q-point: (-0.17 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -8.712 15.571 6.691) 19.056 1.180 ( -4.298 20.572 3.182) 21.256 2.054 ( 1.282 14.284 -0.981) 14.375 2.144 ( -1.896 11.136 -7.607) 13.618 2.313 ( -4.275 15.278 1.403) 15.926 3.317 ( -0.398 -0.188 -3.106) 3.137 3.492 ( 4.792 10.422 -4.948) 12.493 3.690 ( -4.916 -2.883 -5.549) 7.955 4.113 ( 0.343 -7.586 6.339) 9.892 4.360 ( 3.410 -2.871 8.263) 9.388 4.852 ( -4.964 -5.145 2.487) 7.570 4.895 ( -4.357 8.359 4.193) 10.317 5.154 ( 5.212 -2.125 -3.687) 6.728 5.664 ( 13.551 -1.371 -10.779) 17.369 6.084 ( 4.835 -5.179 3.045) 7.712 6.340 ( -19.475 -2.403 -3.676) 19.965 7.280 ( 1.349 -0.643 7.396) 7.545 8.306 ( 4.994 -3.351 -1.101) 6.114 19.775 ( 0.236 1.020 0.812) 1.325 19.845 ( 2.061 3.217 -3.584) 5.238 20.049 ( 0.730 0.101 3.922) 3.990 20.159 ( -2.980 -0.231 -1.421) 3.310 24.808 ( -0.530 -0.084 -0.538) 0.760 24.825 ( -0.330 -0.604 1.019) 1.230 31.622 ( 2.123 -1.772 -1.951) 3.384 31.746 ( -1.710 -0.413 1.934) 2.614 41.799 ( -0.650 8.277 1.250) 8.396 42.906 ( -15.297 9.427 -16.773) 24.581 43.750 ( 40.036 1.929 3.525) 40.238 44.932 ( 0.695 -19.681 2.691) 19.876 ======================= Grid point 172 (66/242) ======================= q-point: (-0.08 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -4.772 16.841 10.765) 20.550 0.904 ( 11.964 17.960 14.580) 26.044 1.728 ( 6.063 29.449 16.267) 34.185 1.978 ( -3.040 5.044 -8.876) 10.652 2.138 ( 3.431 7.325 -1.959) 8.322 3.159 ( -2.618 13.513 -13.421) 19.225 3.349 ( -4.814 2.153 -1.118) 5.391 3.631 ( -3.243 -0.950 -10.122) 10.671 4.254 ( -3.647 -6.654 7.509) 10.675 4.505 ( -1.488 -5.767 12.287) 13.654 4.724 ( 0.457 10.298 -2.675) 10.649 4.914 ( -1.351 -6.515 3.160) 7.366 5.165 ( -0.458 2.119 -1.092) 2.427 5.877 ( 14.411 -7.627 -6.938) 17.719 6.010 ( -18.076 10.404 -13.094) 24.626 6.204 ( -1.735 -3.851 7.076) 8.240 7.465 ( 9.898 -10.023 10.033) 17.294 8.387 ( 0.625 -3.243 -0.786) 3.395 19.732 ( -0.628 2.683 -1.984) 3.395 19.822 ( 1.310 1.655 -1.792) 2.769 20.074 ( -0.416 -0.652 4.578) 4.643 20.138 ( -0.076 -0.415 -1.339) 1.404 24.798 ( -0.885 -0.002 -0.596) 1.067 24.838 ( -0.229 -0.556 1.222) 1.362 31.657 ( 1.030 -1.329 -1.377) 2.173 31.750 ( -0.874 -0.835 1.602) 2.007 41.645 ( -1.317 9.433 -3.180) 10.041 42.203 ( -21.897 32.503 -33.615) 51.632 44.543 ( 53.565 -22.624 23.567) 62.741 45.198 ( -6.181 -16.486 -0.386) 17.610 ======================= Grid point 175 (67/242) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 12.979 0.000 12.247) 17.845 1.323 ( 5.597 0.000 21.677) 22.387 1.917 ( 7.945 0.000 -10.858) 13.454 1.972 ( -2.030 -0.000 -16.751) 16.873 2.810 ( -2.874 -0.000 -2.001) 3.502 2.852 ( 17.071 0.000 12.549) 21.187 3.199 ( 12.463 0.000 -7.108) 14.347 3.363 ( 1.990 0.000 -0.531) 2.059 4.050 ( -8.422 -0.000 7.672) 11.392 4.285 ( 3.271 0.000 -3.908) 5.096 4.603 ( 2.492 0.000 -1.634) 2.980 4.929 ( -6.870 -0.000 8.743) 11.119 5.238 ( -2.851 -0.000 -8.480) 8.947 5.306 ( -0.286 -0.000 -4.878) 4.887 5.881 ( -12.402 -0.000 2.302) 12.614 6.810 ( 6.904 0.000 12.075) 13.909 7.408 ( -23.297 -0.000 -4.500) 23.728 8.147 ( -3.784 -0.000 -8.443) 9.252 19.680 ( 0.978 0.000 0.022) 0.978 19.789 ( -0.427 -0.000 -0.065) 0.432 20.137 ( -0.908 -0.000 -2.187) 2.368 20.197 ( 3.037 0.000 3.000) 4.269 24.800 ( 1.058 0.000 -0.560) 1.197 24.879 ( -0.034 -0.000 1.242) 1.242 31.684 ( 0.803 0.000 -0.102) 0.810 31.781 ( -0.498 -0.000 1.418) 1.502 41.082 ( 6.104 0.000 5.129) 7.973 41.505 ( 4.068 0.000 -5.007) 6.451 44.379 ( -21.797 -0.000 -19.455) 29.217 45.474 ( -25.601 -0.000 8.076) 26.845 ======================= Grid point 176 (68/242) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 9.903 1.974 11.864) 15.579 1.602 ( 6.653 -10.426 15.900) 20.143 1.822 ( 1.273 3.377 -10.509) 11.111 1.973 ( 7.470 -1.552 -11.557) 13.849 2.787 ( -3.771 -3.310 -2.016) 5.407 3.069 ( 13.490 -1.284 3.113) 13.904 3.301 ( 8.851 -0.412 0.904) 8.907 3.502 ( 5.443 -8.220 -1.342) 9.950 3.983 ( -7.333 1.503 5.495) 9.286 4.378 ( 2.347 -8.565 -2.399) 9.199 4.628 ( 2.588 0.113 0.603) 2.659 4.906 ( -7.576 -0.718 7.764) 10.872 5.076 ( -3.331 5.805 -10.124) 12.137 5.358 ( -0.260 -7.820 -6.786) 10.357 5.750 ( -13.029 -1.092 1.767) 13.193 6.876 ( 0.055 3.297 8.929) 9.519 7.117 ( -23.110 0.527 -0.610) 23.124 8.069 ( 0.795 2.479 -7.212) 7.667 19.708 ( 1.061 -1.858 0.130) 2.144 19.774 ( -0.186 0.863 -0.762) 1.167 20.112 ( -1.416 0.080 -2.191) 2.610 20.245 ( 3.228 0.726 3.670) 4.941 24.809 ( 0.935 0.025 -0.445) 1.036 24.877 ( -0.398 0.664 1.278) 1.494 31.685 ( 0.898 1.085 -0.268) 1.433 31.776 ( -0.637 0.715 1.573) 1.841 41.253 ( 5.813 -8.751 3.781) 11.166 41.612 ( 3.685 -9.871 -2.882) 10.924 44.033 ( -14.395 4.178 -19.864) 24.885 45.168 ( -23.712 6.321 6.023) 25.268 ======================= Grid point 177 (69/242) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 12.932 2.357 8.982) 15.921 1.727 ( 9.282 4.044 1.483) 10.233 1.920 ( 4.593 -3.085 1.456) 5.721 2.134 ( 9.575 -12.822 -0.043) 16.002 2.807 ( -2.351 -4.438 -0.830) 5.090 3.225 ( 8.891 -0.827 1.051) 8.992 3.414 ( 2.421 -5.232 -0.600) 5.796 3.646 ( 3.023 -2.703 1.634) 4.372 3.882 ( -8.062 1.850 -1.019) 8.334 4.528 ( -0.083 -6.821 1.157) 6.919 4.664 ( 1.116 -0.452 1.748) 2.123 4.804 ( -5.039 2.845 -5.597) 8.050 4.972 ( -2.980 -1.029 -1.627) 3.547 5.484 ( 0.283 -11.733 -3.658) 12.294 5.642 ( -11.778 -2.337 -1.465) 12.097 6.783 ( -12.100 2.548 1.188) 12.422 6.936 ( -11.925 -2.989 5.021) 13.280 8.020 ( 4.865 4.606 -3.342) 7.487 19.758 ( 0.560 0.075 -1.394) 1.504 19.760 ( 0.394 -2.873 -0.000) 2.900 20.081 ( -1.581 0.350 -2.026) 2.594 20.278 ( 2.700 1.848 4.115) 5.257 24.816 ( 0.698 0.000 -0.335) 0.774 24.862 ( -0.585 1.168 1.006) 1.648 31.664 ( 0.655 2.292 -1.026) 2.595 31.765 ( -0.635 0.663 1.850) 2.065 41.491 ( 3.900 -11.272 3.405) 12.405 41.844 ( 2.605 -14.988 0.101) 15.213 43.764 ( -4.371 4.360 -15.867) 17.026 44.827 ( -20.378 7.378 2.160) 21.780 ======================= Grid point 178 (70/242) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 14.109 -1.929 9.894) 17.340 1.819 ( 16.659 3.631 3.901) 17.491 2.000 ( 3.108 -1.627 3.748) 5.134 2.453 ( 8.938 -10.802 1.877) 14.145 2.865 ( 0.234 -4.329 0.486) 4.362 3.321 ( 5.855 -0.701 1.084) 5.996 3.483 ( -6.292 -6.510 -2.204) 9.318 3.605 ( -7.213 6.784 -1.473) 10.011 3.800 ( -0.908 -2.811 -4.534) 5.412 4.548 ( -0.294 4.004 -0.212) 4.020 4.666 ( 2.148 0.311 -0.741) 2.294 4.741 ( -1.711 -1.070 -6.308) 6.623 4.992 ( -2.978 -5.132 2.101) 6.294 5.512 ( -8.788 0.613 -6.603) 11.009 5.700 ( -1.676 -15.384 0.818) 15.497 6.621 ( -12.466 -0.316 0.209) 12.472 6.947 ( -9.717 -9.544 5.899) 14.842 7.997 ( 7.167 5.739 -0.294) 9.187 19.752 ( 0.259 -0.339 -1.864) 1.912 19.822 ( 0.424 -3.684 0.366) 3.727 20.046 ( -1.204 0.833 -1.768) 2.296 20.290 ( 1.822 2.185 3.720) 4.684 24.821 ( 0.422 -0.050 -0.274) 0.506 24.840 ( -0.485 1.286 0.664) 1.527 31.621 ( 0.599 2.923 -1.676) 3.423 31.760 ( -0.696 0.163 1.898) 2.028 41.705 ( 0.974 -9.502 3.894) 10.315 42.127 ( 3.877 -15.502 1.643) 16.064 43.653 ( 3.857 1.603 -8.756) 9.701 44.501 ( -17.961 6.304 -2.704) 19.226 ======================= Grid point 179 (71/242) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 8.670 1.419 2.869) 9.242 1.997 ( 9.184 3.681 9.563) 13.760 2.151 ( 10.806 -7.170 8.242) 15.366 2.653 ( 5.318 -3.122 0.917) 6.234 2.940 ( 1.333 -2.891 1.373) 3.467 3.308 ( -4.923 8.588 -2.629) 10.242 3.394 ( -6.412 0.594 -7.076) 9.568 3.536 ( -4.209 -11.560 -0.629) 12.318 3.844 ( 3.024 -1.236 0.293) 3.280 4.472 ( 3.651 4.761 -5.538) 8.165 4.655 ( -0.586 3.718 -1.145) 3.935 4.729 ( 1.792 -3.389 -7.695) 8.597 5.059 ( -3.265 -4.977 3.950) 7.144 5.374 ( -1.770 1.466 -13.137) 13.337 5.900 ( -4.244 -11.160 4.162) 12.644 6.514 ( -9.990 -2.122 -0.989) 10.261 7.054 ( -12.390 -13.779 10.729) 21.412 8.002 ( 8.510 4.826 0.961) 9.830 19.756 ( 0.638 -0.562 -1.520) 1.742 19.884 ( 0.016 -3.235 1.042) 3.399 20.014 ( -0.211 0.881 -1.696) 1.923 20.286 ( 0.336 1.900 2.531) 3.183 24.820 ( -0.188 1.086 0.466) 1.197 24.824 ( 0.136 -0.094 -0.283) 0.328 31.577 ( 1.171 2.600 -1.959) 3.460 31.760 ( -1.160 -0.207 1.771) 2.127 41.849 ( -0.597 -6.146 3.886) 7.296 42.434 ( 7.888 -13.475 2.732) 15.851 43.701 ( 7.489 -2.268 -1.857) 8.042 44.193 ( -16.905 4.597 -7.548) 19.076 ======================= Grid point 180 (72/242) ======================= q-point: (-0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 3.345 5.071 5.618) 8.274 2.031 ( 5.480 4.904 3.131) 7.992 2.351 ( -0.233 0.501 3.735) 3.775 2.749 ( 4.972 -5.958 2.010) 8.017 3.005 ( 3.384 -1.671 3.064) 4.861 3.072 ( -7.530 8.805 -3.358) 12.063 3.283 ( -7.633 -0.804 -7.437) 10.687 3.719 ( 4.798 -7.904 3.654) 9.942 3.900 ( 3.176 -1.199 0.227) 3.403 4.434 ( 4.773 4.095 -5.513) 8.363 4.568 ( -1.012 1.004 -7.816) 7.945 4.783 ( 3.182 -4.118 -7.376) 9.027 5.080 ( -5.828 -1.547 3.667) 7.057 5.357 ( 9.860 -3.766 -16.539) 19.620 5.973 ( -5.637 -2.684 3.855) 7.337 6.443 ( -9.209 -3.140 -1.401) 9.830 7.182 ( -14.418 -12.143 17.099) 25.450 8.048 ( 8.668 2.290 0.872) 9.007 19.769 ( 1.168 -0.358 -0.470) 1.309 19.929 ( 0.364 -1.053 1.981) 2.273 20.004 ( 0.432 -0.663 -2.066) 2.212 20.261 ( -1.442 1.723 0.959) 2.443 24.808 ( 0.107 0.696 0.381) 0.800 24.824 ( -0.110 -0.078 -0.293) 0.322 31.552 ( 2.149 1.600 -1.996) 3.341 31.756 ( -1.918 -0.346 1.672) 2.568 41.934 ( -0.514 -3.253 3.757) 4.996 42.757 ( 13.595 -9.564 4.980) 17.352 43.840 ( 0.357 -5.253 -7.840) 9.443 43.915 ( -10.082 1.200 -2.281) 10.407 ======================= Grid point 181 (73/242) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -3.599 9.655 7.485) 12.736 1.959 ( 1.353 11.198 -3.972) 11.958 2.259 ( -1.572 4.528 3.583) 5.984 2.798 ( -8.189 10.877 -6.158) 14.943 2.951 ( 0.394 -11.209 -1.979) 11.389 3.107 ( 2.178 1.938 -0.334) 2.935 3.202 ( 1.773 -2.550 2.176) 3.793 3.880 ( 4.603 -2.109 2.623) 5.702 3.952 ( 3.221 -1.260 -2.541) 4.291 4.343 ( -0.227 6.330 -0.903) 6.398 4.587 ( 0.018 -6.719 -6.639) 9.445 4.858 ( 5.750 -4.966 -10.311) 12.808 5.053 ( -2.265 0.023 2.068) 3.067 5.518 ( 12.566 -9.124 -15.493) 21.936 5.915 ( -3.960 3.821 1.325) 5.660 6.382 ( -9.130 -2.572 -0.064) 9.485 7.266 ( -13.740 -6.797 20.401) 25.518 8.127 ( 7.158 -0.305 0.255) 7.169 19.786 ( 1.255 0.130 1.102) 1.676 19.948 ( 1.870 1.049 0.939) 2.341 20.019 ( -0.163 -1.784 -1.083) 2.094 20.211 ( -2.646 1.558 -0.560) 3.121 24.804 ( 0.240 0.264 0.367) 0.512 24.821 ( -0.261 -0.013 -0.286) 0.387 31.555 ( 2.982 0.420 -1.994) 3.611 31.744 ( -2.581 -0.411 1.747) 3.144 41.980 ( -0.209 -0.624 4.071) 4.124 43.083 ( 18.950 -2.418 9.988) 21.557 43.612 ( -16.155 -2.977 -20.946) 26.619 44.088 ( 4.420 -10.387 5.573) 12.589 ======================= Grid point 182 (74/242) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -5.571 14.476 6.197) 16.703 1.724 ( -1.037 14.699 0.539) 14.745 2.237 ( 2.946 3.827 3.122) 5.751 2.497 ( -5.496 11.507 -9.801) 16.083 2.895 ( 1.302 13.436 -6.478) 14.973 3.150 ( -1.519 -9.660 -2.631) 10.127 3.383 ( 1.830 -8.226 6.049) 10.373 3.856 ( -2.923 4.527 -8.812) 10.329 3.988 ( 3.795 -0.554 -3.303) 5.061 4.317 ( 3.072 0.754 8.307) 8.889 4.647 ( -6.146 -6.700 0.007) 9.092 4.973 ( 5.641 -6.791 -10.279) 13.550 5.056 ( 3.388 1.358 2.082) 4.202 5.725 ( 10.459 -7.084 -17.425) 21.522 5.825 ( -0.803 1.554 2.700) 3.217 6.317 ( -7.302 -0.741 1.132) 7.426 7.293 ( -9.926 -1.734 18.778) 21.311 8.213 ( 4.250 -2.101 -0.352) 4.754 19.801 ( 0.633 0.560 2.460) 2.601 19.944 ( 2.401 2.583 -1.619) 3.880 20.039 ( -0.914 -1.471 0.908) 1.955 20.156 ( -2.101 0.847 -1.589) 2.767 24.806 ( -0.093 -0.047 0.083) 0.133 24.818 ( -0.025 0.023 0.051) 0.061 31.582 ( 3.189 -0.502 -2.103) 3.853 31.730 ( -2.762 -0.570 2.017) 3.467 41.984 ( -0.244 2.631 4.468) 5.191 43.161 ( -6.429 8.602 -3.973) 11.450 43.606 ( 14.348 -11.271 -5.900) 19.176 44.343 ( 0.163 -15.414 3.282) 15.760 ======================= Grid point 183 (75/242) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -2.741 15.460 8.449) 17.830 1.507 ( 5.781 17.202 4.739) 18.756 2.149 ( -6.667 5.809 -5.261) 10.289 2.285 ( 8.249 10.238 -5.799) 14.370 2.639 ( 3.302 18.600 -1.056) 18.920 3.229 ( -3.437 -4.441 -3.536) 6.636 3.488 ( -6.780 -6.728 -4.770) 10.676 3.650 ( -2.848 8.969 -9.588) 13.435 4.046 ( 1.572 -4.040 1.196) 4.497 4.410 ( 1.800 -1.388 9.693) 9.956 4.684 ( -5.422 -7.037 2.366) 9.193 5.008 ( -0.758 2.893 2.888) 4.158 5.139 ( 7.033 -2.947 -6.733) 10.173 5.748 ( 10.958 1.936 -12.140) 16.468 5.934 ( -5.004 -9.846 0.835) 11.076 6.255 ( -1.183 2.599 0.052) 2.856 7.313 ( -3.221 -1.411 13.601) 14.048 8.279 ( 0.345 -3.151 -0.762) 3.260 19.802 ( -0.293 1.302 2.308) 2.666 19.903 ( 1.695 3.578 -3.406) 5.223 20.053 ( -2.033 -1.280 2.716) 3.626 20.130 ( 0.358 0.172 -1.869) 1.910 24.801 ( -0.464 0.096 -0.362) 0.596 24.824 ( 0.291 -0.274 0.582) 0.706 31.617 ( 2.623 -0.971 -2.265) 3.599 31.723 ( -2.328 -0.839 2.297) 3.376 41.927 ( -0.535 6.769 3.397) 7.592 42.811 ( -16.091 11.369 -15.869) 25.298 44.046 ( 25.767 -12.570 8.741) 29.973 44.596 ( -5.234 -18.788 0.100) 19.504 ======================= Grid point 184 (76/242) ======================= q-point: (-0.08 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -0.798 15.485 6.884) 16.965 1.394 ( 13.628 15.923 10.016) 23.229 1.957 ( -4.581 4.116 -8.833) 10.768 2.206 ( 11.093 12.309 -1.935) 16.683 2.415 ( 7.522 17.071 4.529) 19.197 3.146 ( -7.542 3.744 -6.231) 10.474 3.345 ( -9.974 5.260 -4.886) 12.289 3.544 ( 1.870 -0.635 -9.216) 9.425 4.140 ( -4.458 -5.924 6.957) 10.167 4.466 ( -2.249 -1.407 5.431) 6.044 4.792 ( -0.601 -7.074 2.634) 7.573 4.932 ( 2.497 7.921 3.100) 8.865 5.170 ( 0.045 0.717 -4.121) 4.183 5.819 ( 1.967 -2.502 -7.663) 8.297 5.939 ( -4.710 -0.470 -0.840) 4.807 6.251 ( 7.228 0.771 0.466) 7.284 7.429 ( 1.901 -7.529 7.365) 10.702 8.307 ( -4.212 -3.496 -0.987) 5.562 19.771 ( -0.074 3.052 0.322) 3.070 19.846 ( 0.017 2.520 -3.790) 4.552 20.071 ( -1.219 -1.408 4.714) 5.069 20.133 ( 1.199 -0.241 -1.591) 2.007 24.792 ( -0.214 0.209 -0.404) 0.502 24.836 ( 0.276 -0.469 0.717) 0.901 31.645 ( 1.353 -0.923 -2.097) 2.660 31.730 ( -1.296 -1.233 2.248) 2.873 41.784 ( -1.534 11.039 -1.538) 11.250 42.295 ( -15.039 20.964 -14.346) 29.520 44.621 ( 12.433 -21.551 6.604) 25.742 44.825 ( -3.360 -19.299 3.595) 19.916 ======================= Grid point 188 (77/242) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 9.746 0.000 11.292) 14.916 1.642 ( 5.064 0.000 20.264) 20.888 1.839 ( 4.887 0.000 -7.773) 9.181 2.018 ( 9.928 0.000 -9.190) 13.529 2.701 ( -3.831 -0.000 -2.002) 4.322 3.238 ( 15.382 0.000 1.644) 15.470 3.387 ( 1.522 0.000 -3.906) 4.192 3.445 ( 6.004 0.000 -3.355) 6.878 3.938 ( -7.673 -0.000 2.333) 8.019 4.324 ( 2.847 0.000 -3.223) 4.300 4.678 ( 3.601 0.000 2.747) 4.529 4.861 ( -7.858 -0.000 10.223) 12.894 5.026 ( -3.657 -0.000 -15.643) 16.064 5.247 ( -0.229 -0.000 -6.297) 6.301 5.590 ( -14.525 -0.000 3.232) 14.880 6.828 ( -19.881 -0.000 1.378) 19.929 6.922 ( -10.808 -0.000 7.057) 12.908 8.101 ( 6.114 0.000 -4.231) 7.435 19.706 ( 1.075 0.000 0.128) 1.083 19.776 ( -0.458 -0.000 -0.204) 0.501 20.084 ( -1.669 -0.000 -1.974) 2.585 20.306 ( 3.432 0.000 2.853) 4.463 24.816 ( 0.758 0.000 -0.592) 0.962 24.884 ( -0.722 -0.000 1.554) 1.713 31.703 ( 0.674 0.000 0.041) 0.675 31.781 ( -0.682 -0.000 1.339) 1.502 41.282 ( 7.179 0.000 3.695) 8.074 41.563 ( 4.812 0.000 -3.608) 6.015 43.842 ( -6.969 -0.000 -18.761) 20.013 44.965 ( -24.049 -0.000 4.184) 24.410 ======================= Grid point 189 (78/242) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 9.882 1.045 10.441) 14.414 1.851 ( 4.084 -2.584 9.204) 10.396 1.923 ( 8.693 -5.527 4.782) 11.357 2.109 ( 10.450 -3.534 -4.625) 11.962 2.699 ( -2.674 -4.961 -0.067) 5.636 3.299 ( -0.264 2.950 1.005) 3.128 3.442 ( 13.074 1.095 -7.753) 15.239 3.562 ( 0.131 -10.185 0.578) 10.202 3.812 ( -9.376 3.325 -4.365) 10.864 4.390 ( 0.976 -6.864 -3.414) 7.728 4.719 ( 2.401 1.840 3.704) 4.782 4.798 ( -4.969 2.979 2.492) 6.307 4.908 ( -2.675 -0.137 -8.509) 8.921 5.283 ( -2.273 -9.002 -6.563) 11.370 5.473 ( -10.988 -1.659 3.354) 11.608 6.616 ( -17.535 -0.121 2.872) 17.769 6.821 ( -11.437 -0.124 3.474) 11.954 8.149 ( 7.798 2.959 -0.456) 8.353 19.730 ( 0.695 -1.579 -0.010) 1.725 19.765 ( 0.095 0.628 -0.432) 0.768 20.057 ( -1.559 0.022 -1.542) 2.193 20.346 ( 2.447 0.956 2.554) 3.664 24.820 ( 0.498 -0.010 -0.634) 0.806 24.876 ( -0.841 0.733 1.408) 1.796 31.698 ( 0.392 1.373 -0.283) 1.456 31.774 ( -0.727 0.567 1.214) 1.524 41.425 ( 6.053 -5.988 2.275) 8.813 41.680 ( 4.341 -9.341 -1.386) 10.393 43.712 ( 1.037 1.388 -14.423) 14.526 44.690 ( -21.035 3.997 2.020) 21.507 ======================= Grid point 190 (79/242) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 8.833 -0.558 6.679) 11.088 1.988 ( 7.570 -3.456 5.455) 9.950 2.072 ( 7.167 0.164 3.424) 7.945 2.373 ( 8.019 -13.087 3.946) 15.848 2.782 ( -0.927 -6.890 2.418) 7.360 3.258 ( -7.520 -3.206 -0.530) 8.192 3.456 ( 2.778 3.057 -6.575) 7.765 3.592 ( -6.736 7.157 -8.686) 13.117 3.746 ( 5.703 -5.754 3.267) 8.735 4.501 ( -1.326 -7.616 -1.761) 7.929 4.673 ( 0.388 2.890 -5.489) 6.215 4.756 ( -0.043 2.661 3.359) 4.285 4.889 ( -2.415 -4.176 -0.719) 4.878 5.332 ( -11.365 -7.136 -3.697) 13.919 5.481 ( 0.626 -8.408 -0.678) 8.459 6.472 ( -11.995 -0.857 2.401) 12.263 6.735 ( -11.398 -4.543 2.162) 12.459 8.174 ( 7.432 5.013 1.333) 9.063 19.751 ( 0.414 0.058 -0.554) 0.694 19.777 ( 0.638 -2.440 -0.461) 2.564 20.034 ( -1.030 0.144 -0.954) 1.411 20.354 ( 1.015 1.938 2.236) 3.129 24.822 ( 0.247 -0.051 -0.603) 0.654 24.858 ( -0.649 1.138 1.063) 1.687 31.668 ( 0.516 2.571 -0.606) 2.691 31.762 ( -0.878 0.434 0.952) 1.366 41.604 ( 3.240 -7.988 2.194) 8.895 41.926 ( 4.587 -15.434 -0.055) 16.101 43.681 ( 6.113 0.541 -8.776) 10.709 44.394 ( -17.362 6.404 -0.118) 18.506 ======================= Grid point 191 (80/242) ======================= q-point: ( 0.50 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 4.187 -0.295 6.113) 7.416 2.117 ( 4.439 0.071 2.692) 5.192 2.209 ( 7.834 -5.358 3.435) 10.094 2.637 ( 4.830 -7.098 2.728) 9.008 2.902 ( 0.886 -5.913 3.448) 6.902 3.173 ( -14.720 -4.337 -9.342) 17.966 3.366 ( -1.947 5.989 -5.942) 8.658 3.468 ( 4.822 -0.085 0.704) 4.874 3.881 ( 5.585 -0.888 4.137) 7.007 4.530 ( -0.065 1.611 -1.592) 2.266 4.652 ( 2.849 -2.417 -11.890) 12.463 4.700 ( -2.984 2.678 1.496) 4.280 4.967 ( -1.970 -5.416 6.573) 8.742 5.284 ( -4.784 -3.426 -5.456) 8.024 5.668 ( -1.046 -13.719 -0.497) 13.768 6.382 ( -8.033 -0.907 0.113) 8.085 6.744 ( -12.064 -11.315 4.632) 17.177 8.178 ( 6.661 5.188 1.590) 8.591 19.756 ( 1.221 -0.114 -0.691) 1.407 19.827 ( -0.008 -3.612 -0.680) 3.676 20.021 ( -0.146 0.385 -0.022) 0.413 20.331 ( -0.416 2.518 1.506) 2.963 24.821 ( 0.051 -0.078 -0.536) 0.544 24.839 ( -0.306 1.156 0.758) 1.416 31.630 ( 1.210 2.890 -0.707) 3.212 31.750 ( -1.358 0.110 0.678) 1.522 41.761 ( 0.991 -7.126 2.898) 7.756 42.260 ( 6.412 -18.787 -0.132) 19.852 43.729 ( 5.958 -1.298 -5.307) 8.084 44.101 ( -13.286 7.915 -0.535) 15.474 ======================= Grid point 192 (81/242) ======================= q-point: (-0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -2.854 2.220 9.409) 10.080 2.163 ( 6.812 2.145 -2.271) 7.494 2.357 ( 2.149 -2.689 -0.312) 3.456 2.705 ( -2.332 -0.565 2.123) 3.204 3.003 ( 1.591 -4.095 1.736) 4.724 3.105 ( -5.457 -7.500 -5.507) 10.786 3.176 ( -1.622 11.769 -3.424) 12.364 3.640 ( 5.639 -10.650 -0.230) 12.054 3.941 ( 2.407 1.369 3.128) 4.178 4.495 ( 3.390 1.995 -5.669) 6.900 4.563 ( -3.070 4.854 -5.832) 8.185 4.718 ( 2.493 -4.082 -6.879) 8.378 5.038 ( -1.828 -1.621 8.046) 8.409 5.318 ( 5.236 -4.985 -8.424) 11.101 5.840 ( -3.088 -9.622 1.427) 10.206 6.314 ( -5.863 -1.087 -1.838) 6.239 6.857 ( -13.582 -15.929 10.800) 23.555 8.183 ( 5.470 3.649 1.174) 6.679 19.775 ( 1.520 -0.509 -0.310) 1.633 19.881 ( -0.466 -3.982 -1.024) 4.138 20.018 ( 0.780 0.749 0.989) 1.466 20.283 ( -1.452 2.760 0.472) 3.154 24.819 ( -0.200 0.010 -0.474) 0.514 24.824 ( 0.104 0.848 0.574) 1.029 31.603 ( 2.182 2.349 -0.823) 3.310 31.734 ( -2.089 -0.117 0.676) 2.199 41.881 ( -0.034 -5.316 3.600) 6.420 42.656 ( 8.892 -20.456 -0.886) 22.323 43.702 ( -7.010 4.153 -9.576) 12.573 43.929 ( 0.204 1.408 5.686) 5.862 ======================= Grid point 193 (82/242) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -6.661 6.096 9.873) 13.379 2.130 ( 4.220 8.672 -7.413) 12.164 2.348 ( 2.068 3.787 4.259) 6.062 2.755 ( -5.264 -7.787 3.393) 9.993 2.915 ( 0.388 11.780 -7.365) 13.898 3.119 ( 0.657 -0.982 -3.767) 3.948 3.158 ( 1.069 -6.117 3.534) 7.145 3.858 ( 3.543 -9.876 -3.647) 11.108 3.915 ( -3.503 1.739 -2.252) 4.513 4.433 ( -0.250 5.170 -1.715) 5.453 4.495 ( 3.000 -1.026 -7.031) 7.713 4.788 ( 4.200 -4.885 -8.713) 10.836 5.082 ( 2.973 0.510 5.722) 6.469 5.449 ( 8.077 -6.925 -9.737) 14.422 5.903 ( -1.821 -1.890 -0.053) 2.625 6.271 ( -4.156 -1.707 -1.304) 4.678 7.024 ( -13.813 -15.125 17.784) 27.126 8.198 ( 3.305 1.394 0.605) 3.638 19.799 ( 0.916 -0.565 0.643) 1.254 19.931 ( -0.702 -3.880 -1.159) 4.110 20.021 ( 1.250 1.280 1.174) 2.140 20.221 ( -1.408 2.798 -0.495) 3.171 24.811 ( -0.299 0.309 -0.093) 0.440 24.821 ( 0.269 0.261 0.154) 0.405 31.597 ( 2.924 1.414 -1.193) 3.460 31.714 ( -2.687 -0.337 1.106) 2.925 41.966 ( -0.489 -3.354 4.544) 5.668 43.070 ( 4.658 -21.258 -6.847) 22.814 43.462 ( -2.396 9.772 -2.792) 10.442 44.015 ( 0.871 -5.492 4.491) 7.148 ======================= Grid point 194 (83/242) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -6.677 10.043 8.505) 14.757 1.974 ( 5.835 12.498 -3.144) 14.147 2.322 ( -3.216 4.915 5.455) 8.016 2.630 ( 1.392 11.164 -5.363) 12.464 2.943 ( 1.819 -9.239 -3.847) 10.171 3.047 ( -1.548 5.732 -4.596) 7.508 3.298 ( 0.531 -6.050 3.367) 6.944 3.779 ( -8.305 1.376 -9.545) 12.727 3.983 ( 2.089 -3.952 -4.658) 6.456 4.402 ( 2.095 1.356 4.180) 4.868 4.515 ( 0.691 -2.567 -5.134) 5.782 4.880 ( 4.448 -5.717 -8.390) 11.084 5.147 ( 6.840 1.208 2.253) 7.302 5.605 ( 5.074 -8.739 -8.682) 13.323 5.885 ( 2.759 2.753 -3.439) 5.197 6.262 ( -1.499 -1.429 0.383) 2.106 7.178 ( -11.289 -9.835 21.080) 25.856 8.214 ( 0.050 -0.619 0.088) 0.627 19.817 ( -0.270 -0.293 2.004) 2.043 19.974 ( -1.585 -3.536 -0.758) 3.949 20.009 ( 1.465 2.612 0.027) 2.995 20.168 ( 0.085 2.201 -1.171) 2.495 24.803 ( -0.372 0.143 -0.132) 0.420 24.822 ( 0.332 0.140 0.205) 0.414 31.609 ( 2.991 0.536 -1.866) 3.566 31.698 ( -2.740 -0.656 1.904) 3.400 42.018 ( -0.869 -0.856 5.693) 5.823 43.050 ( -15.728 1.561 -15.893) 22.414 43.636 ( 19.416 -10.797 6.187) 23.062 44.145 ( -1.963 -9.374 3.194) 10.096 ======================= Grid point 195 (84/242) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -4.194 12.085 6.351) 14.281 1.855 ( 8.192 12.432 1.035) 14.925 2.140 ( -9.682 7.402 -1.811) 12.322 2.517 ( 8.745 9.122 -5.732) 13.875 2.867 ( -0.988 9.920 -4.828) 11.077 3.089 ( -0.278 -8.848 -3.886) 9.668 3.349 ( -1.526 0.667 0.512) 1.742 3.639 ( -4.670 1.254 -7.393) 8.834 4.011 ( -0.821 -2.133 -2.088) 3.096 4.437 ( -0.664 -0.691 5.037) 5.128 4.561 ( 1.777 -4.854 -2.857) 5.906 4.970 ( 1.823 -4.818 -5.239) 7.347 5.201 ( 5.844 1.961 -1.377) 6.317 5.744 ( -0.020 -8.917 -3.560) 9.602 5.865 ( 7.538 4.148 -6.023) 10.503 6.287 ( 2.772 -0.579 0.597) 2.894 7.287 ( -6.780 -4.770 18.405) 20.186 8.214 ( -3.874 -2.004 -0.363) 4.376 19.823 ( -0.915 0.266 3.091) 3.235 19.954 ( -0.881 2.855 -1.987) 3.588 20.015 ( 0.090 -1.597 0.700) 1.746 20.144 ( 1.232 1.073 -1.815) 2.442 24.797 ( -0.295 0.110 -0.118) 0.336 24.826 ( 0.280 -0.098 0.239) 0.381 31.625 ( 2.288 -0.105 -2.573) 3.445 31.694 ( -2.156 -0.987 2.683) 3.580 42.020 ( -1.384 3.116 5.625) 6.577 42.730 ( -13.922 8.039 -12.122) 20.134 44.040 ( 7.399 -15.990 -1.378) 17.673 44.324 ( 3.154 -11.670 6.310) 13.636 ======================= Grid point 196 (85/242) ======================= q-point: (-0.08 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -0.628 12.421 3.105) 12.819 1.743 ( 0.891 10.573 1.802) 10.763 1.936 ( -2.249 4.891 -8.262) 9.861 2.406 ( 2.449 8.867 -9.718) 13.381 2.734 ( 8.061 9.104 2.128) 12.345 3.168 ( -2.487 -4.222 -0.909) 4.984 3.266 ( 2.150 9.169 -1.104) 9.482 3.546 ( -0.869 2.091 -4.963) 5.455 4.035 ( -4.561 -4.161 3.164) 6.937 4.457 ( -0.935 -0.830 3.060) 3.306 4.675 ( 1.335 -7.554 -0.871) 7.721 5.008 ( -0.562 -1.149 -2.036) 2.404 5.191 ( 1.388 3.338 -2.615) 4.462 5.825 ( -2.814 0.544 4.370) 5.226 5.865 ( 5.077 -1.814 -8.408) 9.988 6.355 ( 9.099 -0.012 -0.553) 9.116 7.367 ( -3.937 -3.956 10.466) 11.862 8.183 ( -7.573 -2.760 -0.887) 8.109 19.815 ( -0.623 1.598 2.750) 3.240 19.879 ( 0.118 4.062 -3.316) 5.245 20.049 ( -0.740 -2.338 2.726) 3.667 20.137 ( 1.160 0.283 -2.111) 2.426 24.793 ( 0.021 0.138 -0.074) 0.158 24.834 ( 0.161 -0.425 0.279) 0.533 31.636 ( 1.151 -0.466 -2.793) 3.056 31.707 ( -1.203 -1.301 2.934) 3.427 41.925 ( -2.460 9.102 1.492) 9.546 42.376 ( -10.206 13.218 -5.424) 17.558 44.240 ( -11.419 -17.563 -9.712) 23.091 44.671 ( 9.426 -14.855 10.728) 20.606 ======================= Grid point 201 (86/242) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 6.275 0.000 8.569) 10.620 1.899 ( 0.432 0.000 14.909) 14.915 2.007 ( 7.546 0.000 4.016) 8.548 2.164 ( 8.871 0.000 -6.763) 11.155 2.627 ( -1.891 -0.000 0.696) 2.015 3.351 ( 0.033 0.000 -5.952) 5.952 3.356 ( -8.463 -0.000 -4.405) 9.541 3.644 ( 18.096 0.000 1.761) 18.181 3.717 ( -6.073 -0.000 -7.916) 9.977 4.326 ( 0.777 0.000 -5.866) 5.917 4.768 ( -7.757 -0.000 7.151) 10.550 4.794 ( 4.398 0.000 -2.420) 5.020 4.833 ( -1.528 -0.000 -7.706) 7.856 5.122 ( -6.920 -0.000 -4.661) 8.343 5.393 ( -5.012 -0.000 6.213) 7.983 6.457 ( -13.084 -0.000 4.036) 13.692 6.692 ( -12.613 -0.000 1.306) 12.680 8.262 ( 6.877 0.000 1.699) 7.083 19.725 ( 0.494 0.000 -0.064) 0.498 19.770 ( 0.036 0.000 0.023) 0.043 20.034 ( -1.314 -0.000 -0.929) 1.610 20.387 ( 1.736 0.000 1.272) 2.152 24.821 ( 0.293 0.000 -0.763) 0.817 24.879 ( -0.962 -0.000 1.405) 1.703 31.709 ( 0.043 0.000 -0.298) 0.301 31.776 ( -0.729 -0.000 0.900) 1.158 41.454 ( 6.325 0.000 -0.985) 6.401 41.652 ( 4.265 0.000 0.992) 4.379 43.697 ( 5.675 0.000 -11.168) 12.527 44.508 ( -18.050 -0.000 1.781) 18.137 ======================= Grid point 202 (87/242) ======================= q-point: ( 0.42 0.33 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 3.779 -0.656 7.191) 8.150 2.015 ( 2.552 -4.685 9.188) 10.624 2.105 ( 0.719 -3.469 3.496) 4.978 2.279 ( 6.092 -8.432 -2.608) 10.724 2.667 ( -1.608 -5.860 3.022) 6.786 3.164 ( -8.543 3.641 -5.014) 10.554 3.380 ( -3.159 -4.010 -7.220) 8.843 3.616 ( -0.110 3.021 -5.175) 5.993 3.856 ( 16.141 0.597 3.239) 16.473 4.350 ( -0.021 -6.673 -6.488) 9.307 4.690 ( -3.013 2.496 -0.981) 4.033 4.755 ( -3.576 -0.423 -7.961) 8.738 4.857 ( 2.645 0.282 5.325) 5.952 5.075 ( -8.760 -6.710 -2.712) 11.363 5.415 ( -0.370 -2.678 5.348) 5.992 6.361 ( -8.064 -0.485 3.125) 8.662 6.565 ( -11.637 -1.394 0.348) 11.725 8.317 ( 5.047 2.702 2.192) 6.130 19.739 ( 0.253 -1.254 -0.196) 1.295 19.770 ( 0.378 0.185 -0.090) 0.431 20.020 ( -0.841 -0.183 -0.342) 0.926 20.396 ( 0.641 1.209 0.600) 1.494 24.820 ( 0.145 -0.031 -0.784) 0.798 24.870 ( -0.800 0.612 1.175) 1.548 31.699 ( 0.103 1.093 -0.416) 1.174 31.766 ( -0.760 0.681 0.543) 1.156 41.549 ( 4.458 -4.828 -1.838) 6.824 41.779 ( 3.734 -8.844 2.140) 9.835 43.724 ( 7.433 0.341 -7.710) 10.714 44.306 ( -13.594 3.863 1.865) 14.255 ======================= Grid point 203 (88/242) ======================= q-point: ( 0.50 0.33 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -1.784 -0.778 7.878) 8.115 2.159 ( 3.287 -2.522 0.678) 4.198 2.176 ( 2.661 -5.500 1.814) 6.374 2.536 ( 3.676 -15.227 1.799) 15.767 2.774 ( -4.198 -8.267 4.083) 10.131 2.989 ( -7.939 3.016 -5.361) 10.043 3.380 ( 1.842 -2.031 -3.853) 4.729 3.545 ( 2.191 5.779 -3.014) 6.876 4.000 ( 8.977 2.130 3.477) 9.860 4.462 ( 0.687 -8.816 -3.537) 9.524 4.621 ( -0.195 1.709 -5.356) 5.626 4.674 ( -5.126 0.710 -3.790) 6.414 4.933 ( 2.227 -3.743 5.581) 7.080 5.095 ( -6.402 -7.828 -0.222) 10.114 5.510 ( 1.703 -6.198 0.574) 6.454 6.306 ( -4.567 0.013 0.281) 4.576 6.497 ( -10.157 -5.746 1.204) 11.732 8.319 ( 3.492 4.089 1.804) 5.672 19.764 ( 0.711 -1.067 -0.315) 1.320 19.777 ( 0.122 -1.348 -0.666) 1.509 20.019 ( -0.195 -0.472 0.506) 0.719 20.370 ( -0.422 2.384 0.230) 2.433 24.818 ( 0.040 -0.058 -0.761) 0.764 24.855 ( -0.461 0.906 0.949) 1.391 31.677 ( 0.577 1.815 -0.247) 1.920 31.745 ( -0.950 0.868 0.069) 1.288 41.677 ( 1.989 -6.815 0.355) 7.108 42.026 ( 3.560 -16.307 0.067) 16.691 43.758 ( 5.148 0.954 -6.193) 8.109 44.109 ( -8.021 6.437 3.454) 10.848 ======================= Grid point 204 (89/242) ======================= q-point: ( 0.58 0.33 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -5.861 -0.128 8.618) 10.423 2.212 ( 3.250 -1.562 -4.050) 5.423 2.324 ( 3.862 -5.381 2.851) 7.211 2.726 ( -1.768 3.870 2.445) 4.907 2.844 ( -3.121 -14.710 -4.453) 15.683 2.945 ( -0.500 -5.428 2.133) 5.853 3.367 ( 4.633 10.759 -3.723) 12.291 3.532 ( 1.404 -6.540 0.088) 6.690 4.007 ( -0.884 3.846 -0.251) 3.954 4.530 ( 1.089 1.444 -2.308) 2.933 4.572 ( 0.807 2.241 -7.690) 8.051 4.634 ( -0.520 -5.128 -2.805) 5.868 5.064 ( 2.103 -2.645 11.672) 12.151 5.201 ( -0.448 -10.961 -0.259) 10.973 5.647 ( 0.867 -10.070 -3.669) 10.752 6.252 ( -2.919 0.427 -2.653) 3.968 6.541 ( -8.414 -11.427 4.351) 14.843 8.292 ( 1.907 3.997 1.281) 4.610 19.782 ( 1.156 -0.377 -0.427) 1.289 19.809 ( -0.483 -3.278 -1.370) 3.585 20.034 ( 0.359 -0.493 1.596) 1.709 20.318 ( -0.976 3.104 -0.069) 3.255 24.814 ( -0.084 -0.019 -0.706) 0.711 24.842 ( -0.103 0.891 0.786) 1.192 31.656 ( 1.222 1.891 -0.096) 2.254 31.719 ( -1.334 0.769 -0.151) 1.547 41.802 ( 0.030 -6.538 2.576) 7.027 42.360 ( 2.597 -21.597 -3.239) 21.992 43.715 ( 0.892 5.200 -5.779) 7.825 43.993 ( -1.436 3.781 5.890) 7.146 ======================= Grid point 205 (90/242) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -7.000 2.460 7.899) 10.837 2.218 ( 1.800 2.161 -5.514) 6.189 2.433 ( 1.119 -1.077 4.151) 4.432 2.647 ( -2.400 -0.092 2.554) 3.506 2.992 ( 1.580 -3.797 -5.757) 7.075 3.051 ( -1.041 -5.177 0.916) 5.359 3.216 ( 6.597 9.708 0.948) 11.776 3.667 ( -3.189 -9.027 -4.596) 10.619 3.891 ( -4.517 2.272 -4.212) 6.581 4.473 ( 0.356 2.722 -3.211) 4.224 4.538 ( 4.277 2.451 -5.507) 7.392 4.721 ( 3.643 -4.991 -4.480) 7.632 5.174 ( 3.976 -0.165 10.867) 11.573 5.371 ( 3.334 -7.633 -2.080) 8.585 5.796 ( 0.042 -9.611 -3.295) 10.160 6.215 ( -0.751 -0.703 -3.648) 3.790 6.709 ( -7.375 -16.114 10.574) 20.636 8.252 ( -0.376 2.878 0.910) 3.041 19.798 ( 0.462 -0.634 -0.331) 0.851 19.852 ( -0.669 -3.763 -1.552) 4.125 20.053 ( 0.699 0.125 2.153) 2.267 20.256 ( -0.716 3.164 -0.428) 3.272 24.809 ( -0.213 0.130 -0.498) 0.557 24.833 ( 0.141 0.622 0.540) 0.835 31.645 ( 1.703 1.471 -0.361) 2.279 31.691 ( -1.675 0.463 0.216) 1.751 41.908 ( -1.176 -5.531 4.356) 7.138 42.680 ( -3.590 -20.543 -8.725) 22.606 43.625 ( 6.446 6.075 -1.137) 8.931 43.990 ( -0.691 -0.563 5.483) 5.555 ======================= Grid point 206 (91/242) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -7.263 5.701 5.881) 10.947 2.141 ( 1.407 5.341 -5.591) 7.859 2.384 ( -8.643 5.911 6.249) 12.193 2.687 ( -0.748 -3.173 0.610) 3.317 2.927 ( 6.736 6.126 -8.324) 12.336 3.057 ( -5.271 0.681 0.761) 5.369 3.300 ( 10.480 -1.345 3.573) 11.154 3.617 ( -9.855 -3.204 -9.130) 13.811 3.896 ( 1.287 -4.411 -4.270) 6.272 4.439 ( 0.418 1.154 -1.367) 1.837 4.525 ( 5.112 1.591 -7.273) 9.031 4.820 ( 4.585 -4.221 -4.779) 7.853 5.259 ( 4.354 1.282 6.496) 7.925 5.493 ( 3.020 -6.217 -5.828) 9.041 5.908 ( 3.721 -3.880 -2.690) 6.012 6.229 ( 1.948 -2.264 -2.597) 3.958 6.962 ( -6.350 -15.649 17.640) 24.421 8.200 ( -3.536 1.364 0.648) 3.845 19.809 ( -0.503 -0.784 0.492) 1.054 19.896 ( -0.936 -3.588 -0.804) 3.794 20.060 ( 0.772 1.421 1.322) 2.088 20.203 ( 0.150 2.553 -1.002) 2.747 24.802 ( -0.225 0.208 -0.200) 0.366 24.830 ( 0.166 0.328 0.246) 0.442 31.642 ( 1.837 1.040 -1.392) 2.528 31.672 ( -1.769 -0.181 1.396) 2.261 41.993 ( -1.937 -4.020 6.128) 7.581 42.764 ( -11.618 -7.934 -12.467) 18.797 43.705 ( 8.888 -3.375 -1.030) 9.563 44.064 ( 3.400 -4.628 7.136) 9.160 ======================= Grid point 207 (92/242) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -6.877 7.468 2.672) 10.498 2.026 ( -3.416 6.732 -5.993) 9.638 2.143 ( -11.581 8.107 2.103) 14.292 2.670 ( 0.921 5.146 -4.173) 6.689 2.930 ( -0.945 -0.387 -2.451) 2.655 2.974 ( 3.280 1.314 -1.500) 3.838 3.454 ( 9.718 -0.291 4.316) 10.637 3.552 ( -1.969 -0.915 -4.836) 5.301 3.937 ( -0.276 -2.846 -4.910) 5.682 4.415 ( -3.208 -0.612 0.063) 3.267 4.548 ( 6.744 -0.724 -7.551) 10.150 4.900 ( 2.709 -3.506 -5.044) 6.714 5.284 ( 2.473 2.649 -0.045) 3.624 5.596 ( 1.338 -7.665 -5.570) 9.569 5.982 ( 6.837 1.241 -1.166) 7.045 6.304 ( 6.131 -2.921 -2.109) 7.111 7.197 ( -5.350 -9.710 20.117) 22.969 8.133 ( -7.037 -0.073 0.351) 7.046 19.819 ( -1.073 -0.895 2.198) 2.604 19.933 ( -0.594 -2.264 0.496) 2.393 20.035 ( 0.085 2.382 -0.872) 2.538 20.170 ( 1.013 1.723 -1.644) 2.588 24.796 ( -0.115 0.150 0.038) 0.193 24.829 ( 0.073 0.080 0.036) 0.114 31.637 ( 1.347 0.597 -2.849) 3.208 31.673 ( -1.334 -0.792 2.906) 3.294 42.044 ( -2.715 -1.128 7.078) 7.665 42.615 ( -10.941 1.683 -9.255) 14.429 43.810 ( -3.922 -8.271 -6.638) 11.307 44.310 ( 11.826 -8.881 8.008) 16.818 ======================= Grid point 208 (93/242) ======================= q-point: (-0.08 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -6.423 7.016 -1.916) 9.703 1.743 ( -14.892 7.009 -4.686) 17.113 2.001 ( 1.270 5.396 -3.900) 6.778 2.528 ( 0.218 9.059 -3.811) 9.831 2.933 ( 5.900 2.038 2.584) 6.756 3.028 ( 1.039 -2.990 -3.893) 5.017 3.510 ( -1.839 -0.130 -3.270) 3.754 3.571 ( 13.751 7.163 6.217) 16.705 3.944 ( -1.937 -2.309 -2.931) 4.204 4.407 ( -4.540 -3.694 2.300) 6.288 4.612 ( 5.490 -2.625 -6.782) 9.112 4.939 ( -0.244 -2.885 -5.195) 5.948 5.237 ( -0.222 3.424 -3.597) 4.971 5.707 ( -0.364 -8.166 -3.918) 9.065 5.990 ( 4.068 6.297 1.956) 7.748 6.439 ( 11.488 -2.957 -3.020) 12.241 7.326 ( -5.748 -2.745 16.335) 17.533 8.049 ( -9.544 -1.335 -0.134) 9.638 19.830 ( -1.197 -0.127 3.026) 3.257 19.936 ( 0.604 3.185 -0.501) 3.280 20.011 ( -0.826 -1.932 0.047) 2.102 20.151 ( 1.252 1.181 -2.219) 2.808 24.795 ( 0.121 0.046 0.209) 0.246 24.830 ( -0.050 -0.225 -0.075) 0.243 31.627 ( 0.567 -0.016 -3.592) 3.637 31.694 ( -0.674 -1.050 3.599) 3.809 42.015 ( -3.800 4.551 4.551) 7.474 42.417 ( -6.864 6.231 -1.849) 9.453 43.839 ( -9.252 -10.562 -9.849) 17.151 44.613 ( 7.413 -9.894 5.371) 13.479 ======================= Grid point 214 (94/242) ======================= q-point: ( 0.42 0.42 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 1.891 0.000 5.994) 6.285 1.986 ( -7.312 -0.000 14.089) 15.874 2.087 ( 0.524 0.000 1.749) 1.826 2.246 ( 5.661 0.000 -9.276) 10.867 2.625 ( -0.917 -0.000 4.006) 4.110 3.070 ( -8.385 -0.000 -5.361) 9.952 3.306 ( 0.884 0.000 -2.812) 2.948 3.645 ( 4.346 0.000 -3.161) 5.374 4.054 ( 13.409 0.000 0.700) 13.427 4.249 ( 0.233 0.000 -9.826) 9.829 4.657 ( -1.048 -0.000 -14.813) 14.850 4.675 ( -5.075 -0.000 4.570) 6.829 4.907 ( -7.004 -0.000 -4.621) 8.391 4.946 ( 3.426 0.000 9.538) 10.135 5.429 ( -0.344 -0.000 9.357) 9.364 6.303 ( -4.124 -0.000 2.412) 4.777 6.428 ( -10.480 -0.000 -0.827) 10.512 8.391 ( 2.598 0.000 2.038) 3.302 19.729 ( 0.132 0.000 -0.281) 0.310 19.775 ( 0.190 0.000 0.354) 0.401 20.008 ( -0.592 -0.000 0.011) 0.592 20.411 ( 0.265 0.000 -0.456) 0.527 24.817 ( 0.112 0.000 -0.891) 0.898 24.871 ( -0.740 -0.000 1.130) 1.351 31.704 ( -0.014 -0.000 -0.650) 0.650 31.767 ( -0.642 -0.000 0.407) 0.760 41.536 ( 3.709 0.000 -5.087) 6.295 41.765 ( 2.487 0.000 4.992) 5.577 43.777 ( 7.146 0.000 -6.420) 9.607 44.222 ( -9.111 -0.000 3.421) 9.732 ======================= Grid point 215 (95/242) ======================= q-point: ( 0.50 0.42 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -5.799 0.267 7.965) 9.856 2.081 ( -2.165 -7.817 2.372) 8.451 2.155 ( 1.162 -5.874 7.367) 9.494 2.320 ( 3.082 -8.686 -7.062) 11.611 2.668 ( -1.874 -4.154 4.384) 6.323 2.967 ( -1.978 2.607 -2.301) 4.000 3.342 ( 2.294 -2.792 0.020) 3.614 3.660 ( 4.944 4.064 -1.591) 6.594 4.126 ( 3.467 2.848 -2.983) 5.388 4.288 ( 1.690 -9.252 -8.393) 12.606 4.590 ( 0.830 -0.417 -11.410) 11.448 4.636 ( -3.680 1.470 3.674) 5.404 4.843 ( -3.908 -4.200 -6.016) 8.313 5.051 ( 3.525 -1.129 11.253) 11.846 5.487 ( 0.161 -1.661 7.848) 8.023 6.272 ( -3.024 0.477 -1.390) 3.362 6.340 ( -6.329 -2.485 0.434) 6.813 8.401 ( 0.827 2.144 1.526) 2.758 19.738 ( 0.007 -1.124 -0.595) 1.272 19.779 ( 0.304 0.011 0.353) 0.466 20.010 ( -0.174 -0.626 0.484) 0.810 20.396 ( -0.256 1.487 -0.870) 1.742 24.814 ( 0.126 -0.020 -0.930) 0.939 24.866 ( -0.514 0.461 1.033) 1.243 31.696 ( 0.093 0.606 -0.630) 0.879 31.754 ( -0.499 0.933 0.124) 1.065 41.590 ( 1.730 -5.523 -3.974) 7.021 41.870 ( 1.307 -7.579 3.802) 8.580 43.810 ( 5.481 1.420 -5.774) 8.087 44.136 ( -4.984 3.192 5.074) 7.796 ======================= Grid point 216 (96/242) ======================= q-point: (-0.42 -0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -6.339 -0.814 6.963) 9.451 2.165 ( -0.444 -4.512 -0.155) 4.536 2.301 ( 1.999 -4.888 3.677) 6.436 2.518 ( -3.763 -16.979 -2.804) 17.616 2.747 ( -0.162 -5.024 4.229) 6.569 2.927 ( 3.843 2.372 0.151) 4.519 3.440 ( 3.757 -3.984 0.966) 5.561 3.604 ( 3.981 8.567 0.484) 9.459 4.012 ( -7.367 4.558 -6.551) 10.861 4.473 ( 3.150 -12.376 -3.427) 13.223 4.559 ( -0.228 1.419 -4.560) 4.781 4.593 ( 0.819 1.354 -1.727) 2.343 4.922 ( -1.186 -13.118 -3.278) 13.573 5.172 ( 4.475 -1.364 12.114) 12.986 5.552 ( 0.526 -2.903 1.490) 3.305 6.214 ( -2.688 -0.018 -4.009) 4.827 6.371 ( -0.687 -5.308 1.309) 5.510 8.363 ( -0.751 3.404 1.219) 3.692 19.758 ( -0.109 -2.004 -0.936) 2.214 19.785 ( 0.426 -0.179 -0.276) 0.538 20.030 ( 0.232 -1.206 1.428) 1.883 20.353 ( -0.720 2.641 -0.894) 2.880 24.811 ( 0.146 0.018 -0.867) 0.879 24.857 ( -0.289 0.688 0.900) 1.169 31.682 ( 0.039 0.876 -0.271) 0.918 31.730 ( -0.208 1.505 -0.279) 1.545 41.695 ( -0.532 -7.709 -0.429) 7.740 42.065 ( -0.207 -14.802 -0.410) 14.809 43.796 ( 4.753 3.883 -5.245) 8.074 44.067 ( -2.052 3.920 6.391) 7.774 ======================= Grid point 217 (97/242) ======================= q-point: (-0.33 -0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -7.496 0.085 4.878) 8.944 2.198 ( -2.274 -1.703 -2.254) 3.626 2.386 ( -2.823 -3.381 4.236) 6.111 2.627 ( -3.829 -4.369 -1.210) 5.934 2.876 ( -0.067 -8.066 0.244) 8.070 3.018 ( 9.087 -3.880 0.119) 9.881 3.448 ( 2.032 7.477 -4.304) 8.863 3.553 ( 0.082 3.125 4.714) 5.657 3.836 ( -5.312 0.574 -5.243) 7.485 4.500 ( -0.572 2.365 -2.782) 3.696 4.582 ( 3.013 1.152 -5.477) 6.357 4.664 ( 5.205 -7.027 -1.564) 8.883 5.147 ( -4.421 -13.215 8.541) 16.344 5.333 ( 8.285 -4.374 7.366) 11.918 5.614 ( -0.301 -7.257 -5.405) 9.053 6.186 ( 1.122 -0.665 -5.072) 5.237 6.510 ( 2.508 -9.780 3.502) 10.686 8.291 ( -2.848 3.843 1.231) 4.940 19.788 ( 0.340 -1.414 -2.077) 2.536 19.791 ( -0.173 -1.679 0.224) 1.703 20.062 ( 0.401 -1.048 2.194) 2.464 20.293 ( -0.951 2.963 -0.846) 3.224 24.807 ( 0.139 0.132 -0.648) 0.676 24.847 ( -0.168 0.684 0.668) 0.971 31.668 ( -0.285 0.725 0.463) 0.906 31.701 ( 0.229 1.659 -0.864) 1.885 41.807 ( -2.123 -7.466 3.039) 8.336 42.296 ( -3.697 -17.544 -5.368) 18.716 43.763 ( 5.801 4.404 -4.215) 8.416 44.038 ( 0.799 2.279 6.979) 7.385 ======================= Grid point 218 (98/242) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -9.976 2.038 1.277) 10.262 2.142 ( -5.585 1.127 -3.493) 6.683 2.344 ( -11.657 2.422 6.062) 13.360 2.643 ( -0.697 -2.466 -0.592) 2.630 2.970 ( -2.583 -4.914 0.278) 5.559 3.095 ( 8.716 7.731 -6.993) 13.588 3.389 ( -4.194 -7.027 -8.482) 11.786 3.506 ( 7.392 5.830 8.121) 12.434 3.850 ( 2.522 -2.718 -1.173) 3.889 4.446 ( -0.943 1.870 -3.827) 4.362 4.569 ( 4.203 1.333 -6.933) 8.217 4.800 ( 5.719 -3.557 -2.518) 7.190 5.276 ( -6.236 -5.540 12.803) 15.280 5.474 ( 8.378 0.607 -7.262) 11.104 5.785 ( 0.991 -14.314 1.357) 14.412 6.218 ( 5.907 -1.946 -5.476) 8.286 6.768 ( 3.197 -13.999 9.517) 17.227 8.191 ( -5.641 3.577 1.351) 6.815 19.790 ( -0.151 -0.653 -1.452) 1.599 19.837 ( 0.200 -3.131 0.504) 3.177 20.083 ( -0.005 0.206 1.425) 1.440 20.236 ( -0.690 2.383 -0.664) 2.568 24.803 ( 0.104 0.257 -0.294) 0.404 24.838 ( -0.145 0.506 0.329) 0.621 31.661 ( -0.436 0.262 1.693) 1.768 31.674 ( 0.414 1.445 -1.889) 2.414 41.911 ( -2.884 -6.525 5.708) 9.136 42.438 ( -7.728 -12.353 -8.479) 16.858 43.737 ( 1.964 2.573 -4.060) 5.192 44.120 ( 8.336 -2.588 6.781) 11.053 ======================= Grid point 219 (99/242) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -13.566 3.375 -2.711) 14.240 1.977 ( -13.778 5.175 -2.160) 14.876 2.175 ( -6.562 5.841 6.309) 10.815 2.657 ( -3.009 -1.427 -2.027) 3.898 2.947 ( -0.521 2.620 -0.248) 2.683 3.070 ( 8.602 2.721 -5.657) 10.649 3.407 ( -2.177 -4.087 -2.060) 5.068 3.643 ( 10.665 -2.547 2.261) 11.195 3.911 ( 4.090 -0.506 -0.698) 4.180 4.368 ( -4.007 1.656 -4.054) 5.935 4.581 ( 6.430 0.030 -8.360) 10.546 4.875 ( 3.209 -1.289 -3.221) 4.726 5.322 ( -3.814 -0.454 7.350) 8.293 5.496 ( 5.289 -2.469 -14.229) 15.379 6.002 ( 1.755 -7.221 6.026) 9.567 6.330 ( 11.432 -3.237 -5.732) 13.192 7.077 ( 0.513 -12.811 16.282) 20.724 8.067 ( -8.518 2.676 1.332) 9.028 19.796 ( -0.675 -1.255 -0.041) 1.426 19.897 ( 0.853 -3.021 1.480) 3.470 20.059 ( -1.233 2.050 -1.272) 2.709 20.201 ( 0.356 1.645 -0.017) 1.683 24.799 ( 0.069 0.252 0.039) 0.265 24.831 ( -0.144 0.272 0.015) 0.308 31.645 ( 0.185 1.116 -3.221) 3.414 31.670 ( -0.224 -0.367 3.094) 3.124 41.998 ( -3.526 -4.494 7.272) 9.247 42.441 ( -7.705 -5.115 -7.073) 11.643 43.684 ( -2.217 0.739 -4.643) 5.198 44.348 ( 11.042 -6.995 3.814) 13.616 ======================= Grid point 220 (100/242) ======================= q-point: (-0.08 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -13.277 3.141 -1.740) 13.754 1.717 ( -9.923 7.674 1.439) 12.626 2.083 ( -0.563 4.913 3.051) 5.811 2.600 ( -2.447 2.349 -1.541) 3.726 2.938 ( 2.366 0.089 -1.522) 2.815 3.116 ( 7.541 1.175 -0.705) 7.664 3.439 ( -1.403 -2.985 -0.252) 3.308 3.799 ( 8.471 -2.272 0.136) 8.771 3.931 ( 4.156 3.853 -2.737) 6.294 4.297 ( -5.557 -2.317 -0.406) 6.035 4.617 ( 6.212 -0.717 -9.684) 11.527 4.888 ( 0.451 -0.305 -4.044) 4.081 5.271 ( -0.787 3.967 -3.059) 5.070 5.552 ( 1.445 -6.913 -10.881) 12.972 6.098 ( -0.235 0.263 7.414) 7.422 6.504 ( 13.853 -3.448 -5.922) 15.456 7.301 ( -3.401 -5.468 18.860) 19.929 7.936 ( -9.811 1.030 1.038) 9.919 19.813 ( -1.325 -1.604 1.609) 2.630 19.964 ( 1.587 -2.456 1.950) 3.515 19.989 ( -1.796 2.745 -2.860) 4.352 20.183 ( 1.134 1.837 -0.300) 2.180 24.798 ( 0.080 0.042 0.244) 0.260 24.827 ( -0.115 0.063 -0.166) 0.212 31.612 ( -0.262 0.483 -4.165) 4.202 31.696 ( 0.150 -0.664 3.927) 3.985 42.026 ( -4.560 -0.163 5.882) 7.444 42.394 ( -4.018 -0.631 -0.886) 4.163 43.633 ( -2.882 -1.495 -5.751) 6.604 44.569 ( 5.470 -6.810 -0.429) 8.745 ======================= Grid point 227 (101/242) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -7.678 -0.000 8.240) 11.263 1.921 ( -5.347 -0.000 -0.444) 5.366 2.148 ( -0.519 -0.000 7.657) 7.675 2.293 ( 5.614 0.000 -6.080) 8.275 2.631 ( -2.004 -0.000 3.434) 3.976 3.003 ( 5.233 0.000 0.648) 5.273 3.361 ( 3.524 0.000 2.758) 4.475 3.745 ( 3.993 0.000 1.133) 4.151 4.106 ( -5.725 -0.000 -9.282) 10.905 4.183 ( 3.731 0.000 -11.629) 12.213 4.568 ( 4.297 0.000 -8.810) 9.802 4.626 ( -4.664 -0.000 4.028) 6.162 4.749 ( 0.618 0.000 -7.368) 7.394 5.152 ( 4.097 0.000 13.331) 13.946 5.519 ( -1.198 -0.000 10.864) 10.930 6.202 ( -5.055 -0.000 -4.083) 6.498 6.307 ( 1.154 0.000 0.795) 1.401 8.423 ( -0.890 -0.000 1.229) 1.517 19.727 ( 0.064 0.000 -0.490) 0.494 19.783 ( -0.037 -0.000 0.673) 0.674 20.006 ( 0.204 0.000 0.429) 0.475 20.399 ( -0.413 -0.000 -1.524) 1.579 24.811 ( 0.293 0.000 -1.004) 1.045 24.869 ( -0.472 -0.000 1.029) 1.132 31.698 ( 0.233 0.000 -0.895) 0.925 31.757 ( -0.454 -0.000 0.118) 0.469 41.527 ( 0.196 0.000 -5.625) 5.629 41.844 ( -0.202 -0.000 5.451) 5.454 43.859 ( 5.738 0.000 -5.406) 7.883 44.142 ( -3.214 -0.000 5.961) 6.772 ======================= Grid point 228 (102/242) ======================= q-point: (-0.42 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -7.197 -0.485 4.604) 8.558 1.990 ( -7.186 -13.397 -0.376) 15.207 2.214 ( -2.189 -5.426 8.124) 10.012 2.346 ( 3.306 -2.881 -3.425) 5.564 2.662 ( -1.778 -4.621 2.609) 5.596 3.065 ( 8.695 3.930 1.903) 9.730 3.447 ( 4.486 -3.068 3.129) 6.271 3.758 ( 2.535 4.194 3.732) 6.160 3.928 ( -10.095 3.637 -11.493) 15.723 4.275 ( 4.802 -11.607 -9.210) 15.576 4.563 ( -0.312 1.075 -3.882) 4.040 4.593 ( -0.179 -0.786 -2.341) 2.476 4.788 ( 5.840 -3.681 -4.830) 8.425 5.265 ( 2.870 -0.775 13.271) 13.600 5.552 ( -1.679 0.014 8.245) 8.415 6.155 ( -0.853 -1.148 -4.157) 4.396 6.348 ( 4.075 -1.578 -0.480) 4.397 8.396 ( -2.185 2.054 1.345) 3.287 19.733 ( 0.161 -0.874 -0.449) 0.996 19.785 ( -0.161 -0.038 0.197) 0.257 20.022 ( 0.725 -0.967 0.977) 1.555 20.371 ( -0.936 1.539 -1.710) 2.483 24.810 ( 0.465 0.043 -0.955) 1.063 24.866 ( -0.424 0.368 0.954) 1.107 31.693 ( 0.323 0.582 -0.746) 1.000 31.745 ( -0.349 0.846 -0.103) 0.921 41.548 ( -1.790 -6.724 -4.224) 8.140 41.905 ( -1.587 -5.714 3.843) 7.066 43.881 ( 5.919 2.281 -5.078) 8.125 44.127 ( -1.294 2.107 6.232) 6.705 ======================= Grid point 229 (103/242) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -9.713 -0.495 1.978) 9.925 2.083 ( -6.991 -6.836 -0.187) 9.780 2.320 ( -4.155 -5.164 5.211) 8.431 2.430 ( -2.495 -9.129 -0.412) 9.472 2.755 ( -0.761 -7.221 1.984) 7.527 3.102 ( 6.806 1.757 0.408) 7.041 3.509 ( 1.035 5.737 -4.145) 7.153 3.707 ( -4.684 2.054 0.834) 5.182 3.762 ( 3.338 1.640 0.225) 3.726 4.488 ( -0.119 -4.155 -2.819) 5.022 4.551 ( 3.991 -8.248 -5.168) 10.519 4.602 ( 1.046 -1.999 -1.818) 2.897 4.940 ( 5.198 -8.936 -1.382) 10.430 5.381 ( 2.582 -3.810 9.759) 10.789 5.557 ( -0.713 0.749 2.011) 2.262 6.175 ( 4.324 -1.220 -4.031) 6.036 6.463 ( 7.358 -5.393 0.074) 9.123 8.323 ( -3.724 3.940 1.870) 5.735 19.755 ( 0.362 -1.718 -0.207) 1.768 19.783 ( -0.037 -0.144 -0.806) 0.820 20.058 ( 0.847 -1.330 1.690) 2.311 20.316 ( -1.638 2.408 -1.488) 3.270 24.810 ( 0.544 0.159 -0.768) 0.955 24.857 ( -0.425 0.592 0.793) 1.077 31.681 ( 0.251 0.901 -0.106) 0.941 31.723 ( -0.221 1.359 -0.596) 1.500 41.644 ( -3.347 -10.101 -0.612) 10.658 42.017 ( -3.320 -10.413 -0.253) 10.933 43.870 ( 5.007 4.342 -3.913) 7.697 44.126 ( 2.865 1.858 4.991) 6.048 ======================= Grid point 230 (104/242) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -13.177 0.926 -0.780) 13.232 2.041 ( -10.322 -0.611 0.395) 10.348 2.306 ( -6.894 1.363 6.412) 9.513 2.531 ( -4.285 -7.732 -1.691) 9.000 2.876 ( 0.247 -6.187 2.881) 6.830 3.197 ( 3.797 -6.494 -3.692) 8.380 3.302 ( 0.643 10.462 -9.508) 14.152 3.666 ( 0.595 3.039 4.063) 5.108 3.858 ( 5.288 -2.678 3.213) 6.742 4.444 ( -1.198 2.231 -5.129) 5.720 4.593 ( 2.900 0.234 -4.099) 5.027 4.791 ( 6.381 -7.225 -1.208) 9.715 5.126 ( -3.992 -9.843 9.025) 13.938 5.532 ( 0.045 -0.765 -6.576) 6.621 5.587 ( 5.941 -10.598 4.860) 13.086 6.257 ( 10.469 -1.382 -3.943) 11.272 6.683 ( 8.228 -9.815 3.223) 13.208 8.206 ( -5.680 5.427 2.360) 8.202 19.772 ( 0.023 -0.473 -2.097) 2.150 19.804 ( 0.843 -2.442 1.113) 2.813 20.086 ( 0.012 -0.282 0.821) 0.868 20.254 ( -1.728 1.928 -0.300) 2.606 24.809 ( 0.456 0.308 -0.453) 0.713 24.846 ( -0.411 0.623 0.523) 0.911 31.673 ( 0.208 0.673 0.554) 0.896 31.692 ( -0.217 1.577 -1.013) 1.887 41.773 ( -3.592 -9.855 3.839) 11.170 42.136 ( -5.211 -11.685 -4.563) 13.584 43.817 ( 3.006 6.108 -1.825) 7.048 44.204 ( 8.166 -1.805 1.771) 8.549 ======================= Grid point 231 (105/242) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -13.062 3.138 1.242) 13.491 1.892 ( -12.858 2.708 2.032) 13.296 2.227 ( -5.080 3.843 9.076) 11.088 2.560 ( -4.261 -4.117 -3.270) 6.767 2.963 ( 1.156 -1.377 3.529) 3.960 3.149 ( 1.557 2.387 -9.096) 9.532 3.348 ( 7.407 -4.421 -5.211) 10.078 3.671 ( 0.549 -1.121 3.008) 3.256 3.955 ( 2.503 -2.287 1.863) 3.868 4.347 ( -2.650 3.576 -5.761) 7.280 4.611 ( 5.180 0.178 -6.041) 7.960 4.902 ( 5.364 0.048 -1.980) 5.718 5.247 ( -5.424 -6.510 10.148) 13.221 5.490 ( 4.097 2.018 -13.534) 14.284 5.864 ( 0.531 -13.855 4.715) 14.645 6.416 ( 15.727 -1.906 -3.843) 16.301 6.971 ( 4.750 -12.592 9.279) 16.347 8.051 ( -7.425 5.951 2.394) 9.812 19.769 ( -0.296 -0.786 -1.851) 2.033 19.871 ( 1.504 -3.152 1.789) 3.924 20.061 ( -1.932 1.610 -1.920) 3.164 20.226 ( -0.284 0.813 1.908) 2.093 24.806 ( 0.175 0.389 -0.109) 0.441 24.835 ( -0.247 0.464 0.197) 0.561 31.646 ( -0.577 1.471 -3.081) 3.462 31.685 ( 0.532 0.141 2.738) 2.793 41.901 ( -3.217 -7.363 6.738) 10.486 42.219 ( -4.924 -9.623 -5.345) 12.059 43.737 ( 2.755 6.947 -0.504) 7.491 44.366 ( 8.723 -5.510 -2.322) 10.575 ======================= Grid point 232 (106/242) ======================= q-point: (-0.08 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -2.483 3.708 10.729) 11.620 1.720 ( -9.303 3.833 3.715) 10.725 2.175 ( -1.167 4.100 9.127) 10.074 2.552 ( -2.756 -2.452 -2.770) 4.613 2.986 ( 2.830 1.831 0.395) 3.394 3.147 ( 1.303 -2.685 -3.525) 4.618 3.430 ( 4.709 0.124 -2.803) 5.482 3.756 ( 1.984 -6.566 -1.479) 7.017 4.000 ( -0.834 -1.139 -0.659) 1.558 4.236 ( -2.847 2.353 -3.202) 4.888 4.633 ( 5.688 0.415 -9.243) 10.861 4.912 ( 2.884 2.878 -1.860) 4.479 5.294 ( -3.495 -0.330 4.586) 5.776 5.445 ( 5.535 -0.406 -18.822) 19.623 6.049 ( -3.176 -7.992 6.076) 10.530 6.601 ( 14.361 -1.170 -4.208) 15.011 7.243 ( -1.110 -10.007 15.724) 18.671 7.890 ( -6.972 4.774 2.060) 8.697 19.775 ( -0.943 -1.602 -0.751) 2.005 19.946 ( 1.604 -2.558 0.591) 3.077 19.995 ( -2.071 1.708 -1.718) 3.187 20.224 ( 0.661 1.300 2.112) 2.567 24.801 ( -0.115 0.217 0.059) 0.253 24.828 ( 0.009 0.282 0.016) 0.283 31.598 ( -0.699 1.184 -4.125) 4.348 31.712 ( 0.629 -0.413 3.670) 3.746 41.978 ( -3.714 -3.129 5.493) 7.332 42.299 ( -1.073 -7.125 -0.261) 7.210 43.667 ( 4.013 6.327 0.174) 7.494 44.507 ( 3.441 -5.302 -6.903) 9.360 ======================= Grid point 240 (107/242) ======================= q-point: (-0.42 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -8.062 -0.000 -3.053) 8.621 1.767 ( -10.498 -0.000 3.178) 10.969 2.194 ( -2.853 -0.000 8.563) 9.026 2.349 ( 1.922 0.000 -1.087) 2.208 2.617 ( -0.839 -0.000 1.482) 1.703 3.228 ( 9.218 0.000 2.183) 9.473 3.458 ( 1.370 0.000 2.132) 2.534 3.759 ( -9.596 -0.000 -6.472) 11.575 3.866 ( 2.100 0.000 -0.387) 2.135 4.188 ( 7.018 0.000 -12.469) 14.309 4.531 ( -3.121 -0.000 -0.118) 3.123 4.581 ( 2.835 0.000 -7.326) 7.855 4.848 ( 10.448 0.000 -1.509) 10.556 5.337 ( 0.067 0.000 11.765) 11.765 5.575 ( -3.027 -0.000 9.911) 10.363 6.146 ( 4.297 0.000 -2.491) 4.967 6.388 ( 6.409 0.000 -1.901) 6.685 8.392 ( -2.833 -0.000 2.010) 3.474 19.727 ( 0.336 0.000 -0.285) 0.441 19.782 ( -0.651 -0.000 0.477) 0.807 20.031 ( 1.555 0.000 0.865) 1.779 20.360 ( -1.528 -0.000 -2.151) 2.639 24.813 ( 0.751 0.000 -0.959) 1.218 24.868 ( -0.515 -0.000 0.982) 1.109 31.700 ( 0.705 0.000 -0.927) 1.165 31.746 ( -0.563 -0.000 -0.049) 0.565 41.436 ( -3.459 -0.000 -5.004) 6.083 41.861 ( -2.738 -0.000 4.808) 5.533 43.947 ( 6.346 0.000 -4.207) 7.614 44.167 ( 0.789 0.000 4.593) 4.661 ======================= Grid point 241 (108/242) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -12.119 -0.351 0.554) 12.136 1.784 ( -9.514 -15.774 -1.139) 18.456 2.211 ( -5.513 -2.169 8.722) 10.544 2.365 ( -0.902 -1.029 1.653) 2.146 2.663 ( 0.939 -4.936 0.954) 5.114 3.218 ( 1.160 6.476 -0.651) 6.611 3.562 ( -2.178 -7.943 -1.391) 8.353 3.586 ( -1.456 5.145 -7.806) 9.462 3.878 ( 2.044 2.627 3.932) 5.152 4.312 ( 6.446 -11.997 -9.466) 16.585 4.506 ( -0.475 0.341 -1.778) 1.871 4.581 ( 1.454 -1.063 -4.473) 4.822 4.982 ( 12.371 -0.527 -0.581) 12.396 5.386 ( -1.389 -1.412 7.508) 7.765 5.580 ( -2.527 0.461 6.934) 7.395 6.227 ( 10.241 -0.600 -0.336) 10.264 6.484 ( 8.390 -2.991 -1.911) 9.110 8.349 ( -3.295 2.759 3.107) 5.303 19.738 ( 0.360 -0.945 0.046) 1.012 19.775 ( -0.528 -0.091 -0.198) 0.572 20.063 ( 1.824 -0.694 1.072) 2.227 20.316 ( -2.329 1.436 -1.898) 3.331 24.817 ( 0.855 0.134 -0.873) 1.229 24.864 ( -0.559 0.368 0.992) 1.197 31.698 ( 0.803 0.660 -0.774) 1.296 31.733 ( -0.655 0.771 -0.095) 1.016 41.433 ( -4.754 -8.175 -3.514) 10.088 41.878 ( -3.730 -3.953 3.288) 6.353 43.981 ( 6.791 3.155 -2.263) 7.822 44.200 ( 4.060 0.593 0.894) 4.199 ======================= Grid point 242 (109/242) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -12.089 0.207 2.074) 12.268 1.882 ( -10.008 -7.219 -0.126) 12.340 2.221 ( -8.462 -5.037 5.853) 11.456 2.388 ( -2.818 -2.683 5.652) 6.861 2.795 ( 2.296 -7.735 2.798) 8.540 3.143 ( -1.203 0.375 -4.174) 4.360 3.388 ( -2.944 5.559 -9.326) 11.250 3.687 ( 1.759 -2.869 0.408) 3.391 3.879 ( -0.477 0.277 2.653) 2.710 4.438 ( -0.366 1.190 -5.134) 5.283 4.594 ( 4.043 -5.567 -4.180) 8.050 4.636 ( 3.195 -12.640 -0.102) 13.038 5.108 ( 7.419 0.702 3.843) 8.385 5.444 ( 0.990 -4.430 -0.626) 4.583 5.583 ( 0.056 -1.007 0.792) 1.282 6.389 ( 16.725 -0.198 0.678) 16.740 6.651 ( 7.540 -7.016 0.008) 10.300 8.258 ( -3.895 5.939 3.837) 8.073 19.754 ( -0.431 -0.640 -0.812) 1.120 19.786 ( 0.954 -1.723 0.204) 1.980 20.089 ( 0.546 0.143 -0.237) 0.612 20.256 ( -2.330 1.400 0.151) 2.722 24.818 ( 0.648 0.318 -0.666) 0.982 24.854 ( -0.484 0.644 0.896) 1.205 31.688 ( 0.345 1.083 -1.300) 1.727 31.710 ( -0.326 1.163 0.684) 1.388 41.548 ( -4.352 -13.634 0.174) 14.313 41.927 ( -4.293 -6.718 0.144) 7.974 43.978 ( 7.684 6.802 0.350) 10.268 44.258 ( 6.831 -1.300 -4.378) 8.217 ======================= Grid point 243 (110/242) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -5.779 0.946 9.104) 10.825 1.788 ( -11.936 1.195 1.586) 12.100 2.231 ( -5.795 -2.716 4.920) 8.073 2.438 ( -2.446 -3.388 5.349) 6.788 2.962 ( 2.877 -6.090 5.757) 8.861 3.097 ( -3.270 -0.084 -8.058) 8.697 3.319 ( 2.442 -4.125 -8.817) 10.036 3.705 ( -0.188 1.731 2.506) 3.051 3.881 ( -4.562 -3.457 -0.968) 5.805 4.360 ( -0.296 3.886 -5.979) 7.136 4.646 ( 4.318 -0.097 -2.344) 4.915 4.908 ( 4.730 -9.887 -1.179) 11.023 5.166 ( -1.580 -1.029 8.983) 9.178 5.503 ( 4.777 0.190 -6.176) 7.810 5.672 ( 1.015 -10.848 -3.477) 11.437 6.597 ( 19.158 0.860 -0.285) 19.179 6.870 ( 4.240 -10.871 4.147) 12.384 8.113 ( -4.346 8.368 3.286) 9.986 19.748 ( -0.318 -0.298 -2.014) 2.060 19.846 ( 1.616 -3.243 1.125) 3.794 20.052 ( -2.242 1.892 -2.629) 3.939 20.240 ( -0.589 -0.022 3.200) 3.254 24.814 ( 0.134 0.484 -0.293) 0.582 24.843 ( -0.197 0.667 0.554) 0.889 31.651 ( -0.640 1.877 -2.691) 3.342 31.709 ( 0.588 0.318 2.248) 2.346 41.745 ( -2.082 -13.017 5.426) 14.256 41.997 ( -3.401 -9.059 -2.929) 10.110 43.947 ( 9.117 9.866 2.558) 13.675 44.345 ( 6.416 -4.084 -9.699) 12.326 ======================= Grid point 244 (111/242) ======================= q-point: (-0.08 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 4.302 0.277 16.630) 17.179 1.654 ( -9.662 0.313 2.184) 9.911 2.238 ( -3.118 -1.323 7.220) 7.975 2.491 ( 1.748 -1.062 4.986) 5.389 3.026 ( -2.673 -1.300 -8.215) 8.736 3.088 ( 2.696 -1.443 7.157) 7.783 3.403 ( 0.853 -7.450 -12.910) 14.930 3.700 ( -0.687 -0.955 5.542) 5.665 3.876 ( -6.150 -5.084 -3.479) 8.705 4.266 ( 0.994 4.603 -4.409) 6.451 4.672 ( 5.320 1.341 -5.588) 7.831 4.995 ( 3.777 2.411 -2.522) 5.142 5.216 ( -4.648 -4.526 4.713) 8.019 5.498 ( 8.709 4.625 -10.396) 14.329 5.855 ( -3.075 -13.063 0.040) 13.420 6.750 ( 11.755 2.449 -1.607) 12.114 7.122 ( 0.883 -11.954 10.312) 15.812 7.950 ( -2.435 7.881 1.974) 8.482 19.742 ( -0.313 -0.745 -1.817) 1.989 19.923 ( 1.869 -2.949 -0.535) 3.532 19.983 ( -2.511 1.183 -0.967) 2.939 20.254 ( -0.185 0.254 3.389) 3.403 24.804 ( -0.236 0.470 0.012) 0.526 24.835 ( 0.044 0.460 0.184) 0.497 31.597 ( -0.543 1.963 -3.550) 4.093 31.730 ( 0.551 -0.335 3.053) 3.120 41.903 ( -2.101 -5.518 5.105) 7.805 42.151 ( 2.239 -12.470 1.113) 12.718 43.905 ( 10.310 11.319 4.209) 15.879 44.407 ( 1.742 -4.408 -14.295) 15.060 ======================= Grid point 253 (112/242) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -13.347 -0.000 1.401) 13.420 1.510 ( -10.351 -0.000 -1.757) 10.499 2.206 ( -3.127 -0.000 11.682) 12.093 2.348 ( -2.530 -0.000 2.381) 3.474 2.646 ( 3.012 0.000 -0.179) 3.017 3.239 ( -8.203 -0.000 -5.968) 10.144 3.439 ( -2.456 -0.000 -2.711) 3.658 3.580 ( -0.517 -0.000 -6.255) 6.276 3.928 ( 0.402 0.000 3.625) 3.647 4.245 ( 8.309 0.000 -11.366) 14.079 4.519 ( 0.786 0.000 2.982) 3.083 4.556 ( 1.970 0.000 -7.278) 7.540 5.139 ( 14.818 0.000 -0.313) 14.821 5.381 ( -2.648 -0.000 4.249) 5.006 5.582 ( -3.766 -0.000 7.710) 8.580 6.386 ( 17.040 0.000 2.963) 17.296 6.537 ( 7.482 0.000 -3.107) 8.101 8.361 ( -2.187 -0.000 4.689) 5.174 19.732 ( -0.098 -0.000 0.182) 0.207 19.767 ( -0.501 -0.000 -0.077) 0.507 20.086 ( 2.255 0.000 0.448) 2.299 20.289 ( -2.831 -0.000 -1.500) 3.204 24.823 ( 0.881 0.000 -0.939) 1.287 24.866 ( -0.499 -0.000 1.289) 1.382 31.709 ( 0.874 0.000 -1.327) 1.589 31.732 ( -0.734 -0.000 0.554) 0.920 41.281 ( -6.111 -0.000 -3.835) 7.214 41.820 ( -4.458 -0.000 3.683) 5.783 44.094 ( 10.562 0.000 -2.912) 10.956 44.249 ( 4.789 0.000 -2.514) 5.409 ======================= Grid point 254 (113/242) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -12.395 -1.822 4.102) 13.183 1.542 ( -11.382 -17.117 -0.888) 20.575 2.188 ( -3.917 5.251 10.488) 12.366 2.370 ( -0.964 -3.000 7.628) 8.253 2.729 ( 3.896 -5.170 0.144) 6.475 3.082 ( -8.585 0.197 -6.813) 10.962 3.347 ( -5.964 3.354 -7.196) 9.930 3.571 ( -5.997 -6.786 -6.707) 11.270 3.937 ( 2.186 3.134 4.794) 6.130 4.366 ( 5.018 -8.536 -6.856) 12.044 4.513 ( 4.614 0.210 -5.660) 7.305 4.605 ( 2.613 -3.139 1.676) 4.414 5.264 ( 8.143 3.717 2.678) 9.343 5.398 ( 2.786 -3.442 -2.781) 5.229 5.575 ( -1.615 0.467 4.229) 4.551 6.615 ( 10.969 -1.731 -0.799) 11.133 6.636 ( 15.583 -2.020 2.271) 15.877 8.336 ( -1.261 4.344 5.395) 7.040 19.734 ( -0.976 -0.630 0.230) 1.184 19.772 ( 0.670 -1.042 -0.390) 1.298 20.100 ( 0.669 0.815 -1.605) 1.920 20.248 ( -2.231 0.569 1.013) 2.515 24.826 ( 0.525 0.216 -0.811) 0.991 24.865 ( -0.246 0.514 1.450) 1.558 31.700 ( 0.018 0.972 -1.634) 1.902 31.726 ( -0.022 0.516 1.158) 1.268 41.282 ( -5.622 -11.031 -1.849) 12.518 41.809 ( -4.682 -3.099 2.270) 6.057 44.176 ( 13.644 2.960 -10.859) 17.687 44.293 ( 5.760 0.912 -0.083) 5.833 ======================= Grid point 255 (114/242) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -10.359 -6.099 8.551) 14.752 1.638 ( -10.506 -8.552 -1.589) 13.639 2.126 ( -4.801 -0.497 6.796) 8.335 2.472 ( 2.604 -1.654 14.001) 14.336 2.856 ( -2.206 -7.279 -3.036) 8.190 3.021 ( -2.825 -4.676 -0.068) 5.464 3.193 ( -8.259 -0.714 -9.040) 12.265 3.569 ( -7.014 -7.762 -8.273) 13.338 3.921 ( 2.432 5.650 5.555) 8.289 4.398 ( 1.585 2.558 -4.717) 5.596 4.660 ( 4.363 -5.596 -2.662) 7.579 4.742 ( 5.636 -11.431 1.321) 12.813 5.240 ( -0.921 5.097 4.683) 6.983 5.501 ( 4.833 -6.306 -9.855) 12.659 5.592 ( 5.420 1.231 1.338) 5.717 6.726 ( 0.247 -6.397 1.327) 6.537 6.900 ( 22.626 0.715 1.976) 22.724 8.238 ( -1.409 8.925 3.664) 9.750 19.731 ( -0.599 -0.341 -0.837) 1.084 19.815 ( 1.256 -3.007 0.001) 3.258 20.048 ( -2.053 2.564 -3.083) 4.505 20.245 ( -0.787 -0.431 3.500) 3.613 24.821 ( 0.059 0.437 -0.382) 0.583 24.858 ( -0.107 0.932 1.125) 1.465 31.664 ( -0.418 1.987 -1.960) 2.822 31.729 ( 0.337 0.279 1.708) 1.763 41.492 ( -0.763 -19.144 3.444) 19.466 41.835 ( -3.719 -5.801 0.092) 6.892 44.202 ( 12.015 2.231 -19.862) 23.321 44.342 ( 8.149 4.597 3.517) 9.996 ======================= Grid point 256 (115/242) ======================= q-point: (-0.08 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -10.169 -10.040 10.470) 17.716 1.603 ( -4.445 -1.814 -0.235) 4.806 2.147 ( -3.885 -4.041 2.683) 6.215 2.621 ( 5.587 -1.127 17.408) 18.317 2.853 ( -8.385 -6.454 -6.116) 12.221 3.101 ( -12.050 -8.873 -13.348) 20.052 3.153 ( 4.709 -4.216 6.931) 9.380 3.605 ( -1.150 -7.600 -5.699) 9.569 3.872 ( 1.248 6.117 5.453) 8.289 4.342 ( 2.929 4.384 -4.698) 7.062 4.731 ( 4.518 0.328 -1.259) 4.702 4.986 ( 3.835 -8.393 -2.028) 9.448 5.160 ( -4.414 2.788 4.165) 6.678 5.610 ( -0.500 -10.635 -7.600) 13.081 5.653 ( 10.621 3.551 -2.176) 11.408 6.819 ( -3.850 -4.165 5.542) 7.930 7.114 ( 15.006 0.081 0.478) 15.013 8.083 ( 0.014 9.270 0.614) 9.291 19.726 ( 0.147 -0.203 -1.397) 1.420 19.886 ( 1.531 -3.661 -1.412) 4.212 19.974 ( -2.024 1.707 -0.627) 2.721 20.261 ( -1.175 -0.455 3.477) 3.698 24.811 ( -0.188 0.588 0.101) 0.625 24.846 ( -0.179 0.817 0.457) 0.954 31.613 ( -0.092 2.477 -2.638) 3.620 31.742 ( 0.169 -0.289 2.351) 2.374 41.802 ( 0.136 -9.522 5.871) 11.187 41.977 ( 5.387 -16.169 3.378) 17.375 44.185 ( 7.565 0.526 -23.344) 24.545 44.351 ( 8.372 8.787 3.780) 12.712 ======================= Grid point 266 (116/242) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -14.957 -0.000 4.555) 15.635 1.227 ( -14.055 -0.000 0.230) 14.057 2.287 ( -5.200 -0.000 2.710) 5.863 2.365 ( 2.995 0.000 15.675) 15.958 2.735 ( 4.630 0.000 -1.245) 4.795 2.892 ( -14.894 -0.000 -8.438) 17.118 3.320 ( -3.454 -0.000 -5.918) 6.852 3.325 ( -12.355 -0.000 -10.778) 16.395 4.030 ( 3.681 0.000 6.651) 7.602 4.326 ( 6.236 0.000 -6.754) 9.193 4.553 ( 4.057 0.000 -6.952) 8.049 4.622 ( 4.859 0.000 5.121) 7.059 5.349 ( 0.070 0.000 -1.583) 1.585 5.412 ( 5.978 0.000 -0.754) 6.025 5.617 ( 4.703 0.000 4.777) 6.704 6.596 ( -0.368 -0.000 -2.466) 2.494 6.926 ( 25.573 0.000 3.553) 25.819 8.402 ( 0.950 0.000 5.667) 5.746 19.718 ( -1.226 -0.000 0.599) 1.364 19.767 ( 0.519 0.000 -0.589) 0.785 20.100 ( -0.484 -0.000 -3.098) 3.136 20.240 ( -1.310 -0.000 2.438) 2.768 24.828 ( 0.240 0.000 -0.710) 0.750 24.878 ( 0.122 0.000 2.009) 2.012 31.700 ( -0.318 -0.000 -0.963) 1.015 31.737 ( 0.257 0.000 0.955) 0.989 41.099 ( -6.924 -0.000 -2.186) 7.261 41.740 ( -5.032 -0.000 2.115) 5.459 44.192 ( 8.967 0.000 -32.548) 33.761 44.475 ( 14.209 0.000 11.492) 18.275 ======================= Grid point 267 (117/242) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -16.345 -6.199 6.698) 18.720 1.249 ( -14.005 -18.988 0.634) 23.602 2.159 ( -6.265 5.750 3.483) 9.189 2.448 ( -10.404 -5.987 1.601) 12.110 2.691 ( -12.979 -2.071 -0.878) 13.173 2.866 ( 0.129 -10.086 0.132) 10.088 3.106 ( -2.456 6.051 -4.139) 7.732 3.364 ( 0.574 -8.099 -6.923) 10.670 4.072 ( 3.352 4.401 7.497) 9.317 4.394 ( 1.935 -3.107 -3.125) 4.813 4.581 ( 5.450 -3.683 -7.485) 9.965 4.743 ( 6.369 -2.955 5.194) 8.733 5.327 ( 0.238 4.216 2.177) 4.751 5.433 ( 1.876 -0.891 -7.100) 7.398 5.718 ( 10.091 0.841 2.251) 10.373 6.608 ( -4.017 -5.432 1.742) 6.977 7.213 ( 24.675 2.381 1.162) 24.816 8.382 ( 0.600 7.126 2.717) 7.650 19.714 ( -0.797 -0.630 0.518) 1.141 19.784 ( 0.637 -1.870 -0.887) 2.166 20.053 ( -1.579 2.280 -2.974) 4.066 20.244 ( -1.040 -0.357 2.924) 3.124 24.825 ( 0.040 0.236 -0.417) 0.481 24.882 ( 0.099 1.108 2.170) 2.439 31.681 ( -0.285 1.401 -0.814) 1.645 31.742 ( 0.184 0.228 1.196) 1.231 41.180 ( -2.012 -19.171 1.851) 19.365 41.719 ( -4.421 -3.400 0.900) 5.649 44.099 ( 5.149 -2.084 -43.030) 43.387 44.665 ( 17.195 6.372 11.258) 21.518 ======================= Grid point 268 (118/242) ======================= q-point: (-0.08 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -14.482 -12.556 8.206) 20.850 1.379 ( -11.362 -13.593 -1.386) 17.770 2.083 ( -4.211 -2.649 1.947) 5.342 2.361 ( -25.686 -15.208 -9.378) 31.289 2.606 ( -12.970 -5.210 -1.169) 14.026 3.042 ( 4.346 -6.068 4.400) 8.664 3.112 ( 7.012 -2.620 8.118) 11.042 3.506 ( 7.097 -6.407 -3.829) 10.300 4.042 ( 2.216 7.931 8.330) 11.713 4.401 ( 1.546 1.895 -3.733) 4.463 4.708 ( 2.186 -8.239 -3.800) 9.332 4.904 ( 5.960 -5.494 3.639) 8.885 5.219 ( -3.802 7.440 2.793) 8.810 5.462 ( 5.156 -3.955 -12.216) 13.837 5.821 ( 9.972 2.111 1.754) 10.343 6.689 ( -5.774 -7.355 8.516) 12.647 7.363 ( 14.842 8.242 -3.526) 17.339 8.234 ( 0.161 9.616 -1.863) 9.796 19.722 ( 0.406 -0.368 0.035) 0.549 19.830 ( 0.720 -3.614 -2.337) 4.364 19.987 ( -1.008 2.223 -0.222) 2.451 20.249 ( -1.999 -0.585 2.567) 3.306 24.818 ( -0.047 0.426 -0.036) 0.430 24.865 ( -0.566 1.711 1.411) 2.289 31.644 ( 0.219 2.447 -1.502) 2.880 31.749 ( -0.168 -0.128 1.737) 1.749 41.658 ( 7.533 -19.630 9.752) 23.177 41.797 ( 4.695 -16.075 3.926) 17.201 43.961 ( -0.239 -6.035 -48.178) 48.555 44.758 ( 16.113 12.864 10.218) 23.012 ======================= Grid point 279 (119/242) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -17.508 -0.000 3.541) 17.863 0.888 ( -19.350 -0.000 7.815) 20.868 2.057 ( -35.465 -0.000 -11.657) 37.332 2.157 ( -7.135 -0.000 -0.897) 7.191 2.508 ( -14.860 -0.000 0.568) 14.871 2.773 ( -0.134 -0.000 -2.962) 2.965 3.232 ( 1.577 0.000 -4.657) 4.917 3.302 ( 14.297 0.000 5.829) 15.439 4.195 ( 4.359 0.000 9.520) 10.470 4.366 ( 1.275 0.000 -2.630) 2.923 4.563 ( 1.529 0.000 -6.678) 6.851 4.827 ( 7.633 0.000 5.208) 9.240 5.400 ( 7.436 0.000 -3.616) 8.268 5.426 ( -1.267 -0.000 0.083) 1.269 5.849 ( 9.824 0.000 1.426) 9.927 6.513 ( -6.674 -0.000 6.756) 9.497 7.512 ( 23.429 0.000 -1.826) 23.500 8.466 ( 1.187 0.000 -1.403) 1.838 19.702 ( -0.769 -0.000 0.881) 1.169 19.768 ( 0.164 0.000 -0.909) 0.923 20.046 ( -0.923 -0.000 -2.342) 2.517 20.239 ( -1.598 -0.000 1.940) 2.514 24.825 ( 0.017 0.000 -0.404) 0.405 24.913 ( 0.681 0.000 3.521) 3.586 31.689 ( -0.220 -0.000 0.360) 0.422 31.752 ( 0.172 0.000 0.938) 0.953 40.940 ( -5.812 -0.000 -0.216) 5.816 41.643 ( -4.335 -0.000 0.224) 4.341 43.847 ( -1.219 -0.000 -60.661) 60.673 44.978 ( 18.297 0.000 10.415) 21.054 ======================= Grid point 280 (120/242) ======================= q-point: (-0.08 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -17.426 -11.260 5.786) 21.539 0.955 ( -14.636 -21.213 6.300) 26.531 1.630 ( -38.762 -12.370 -8.933) 41.657 2.077 ( -6.338 -0.994 -1.996) 6.719 2.373 ( -12.934 -3.422 -2.879) 13.685 2.872 ( 2.051 -13.616 -1.706) 13.875 3.254 ( 5.093 -0.772 2.373) 5.672 3.535 ( 12.400 -3.289 5.916) 14.127 4.245 ( 3.586 6.829 12.154) 14.395 4.395 ( 1.043 -2.075 -2.344) 3.300 4.566 ( -0.116 -5.529 -6.843) 8.798 4.949 ( 6.163 -1.832 4.604) 7.908 5.321 ( -3.693 9.283 0.949) 10.035 5.488 ( 12.110 0.511 -7.258) 14.127 5.953 ( 8.211 0.535 1.349) 8.338 6.567 ( -4.829 -7.226 15.534) 17.800 7.633 ( 10.282 10.810 -9.176) 17.515 8.357 ( -0.796 8.402 -6.413) 10.599 19.718 ( 0.528 -1.658 1.171) 2.097 19.776 ( -0.092 -1.642 -2.271) 2.804 20.013 ( -0.155 1.741 -0.047) 1.749 20.225 ( -2.577 -0.268 1.049) 2.795 24.821 ( -0.002 0.167 -0.319) 0.360 24.909 ( -0.375 3.366 3.140) 4.618 31.677 ( 0.154 1.807 0.112) 1.817 31.754 ( -0.244 0.236 1.157) 1.206 41.377 ( 20.186 -47.328 13.005) 53.071 41.636 ( -2.522 -5.863 -0.558) 6.407 43.498 ( -11.729 -7.625 -68.887) 70.293 45.156 ( 15.068 8.040 8.712) 19.173 ======================= Grid point 292 (121/242) ======================= q-point: (-0.08 -0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -18.330 -0.000 10.509) 21.128 0.547 ( -19.209 -0.000 11.214) 22.243 1.033 ( -41.411 -0.000 6.456) 41.911 1.969 ( -5.458 -0.000 -5.431) 7.700 2.202 ( -9.865 -0.000 -2.588) 10.199 2.720 ( -1.136 -0.000 -0.980) 1.501 3.276 ( 4.117 0.000 -2.495) 4.814 3.671 ( 6.866 0.000 6.105) 9.187 4.342 ( -0.928 -0.000 -2.162) 2.353 4.463 ( 4.454 0.000 2.270) 4.999 4.502 ( 6.878 0.000 8.786) 11.158 5.013 ( 4.124 0.000 3.254) 5.253 5.402 ( -0.645 -0.000 -0.130) 0.658 5.639 ( 17.876 0.000 -8.618) 19.845 6.042 ( 5.683 0.000 1.504) 5.878 6.566 ( -1.909 -0.000 28.511) 28.575 7.741 ( -3.800 -0.000 -26.881) 27.148 8.383 ( 0.776 0.000 -9.436) 9.468 19.695 ( -0.552 -0.000 0.313) 0.635 19.763 ( 0.216 0.000 -0.324) 0.389 20.029 ( 0.373 0.000 0.858) 0.935 20.195 ( -2.697 -0.000 -0.108) 2.699 24.821 ( 0.010 0.000 -0.412) 0.412 24.978 ( 1.274 0.000 1.543) 2.001 31.702 ( 0.509 0.000 1.535) 1.617 31.760 ( -0.262 -0.000 0.663) 0.713 40.844 ( -3.215 -0.000 1.807) 3.688 41.556 ( -2.559 -0.000 -1.742) 3.096 42.933 ( -17.219 -0.000 -28.427) 33.235 45.405 ( 9.879 0.000 6.386) 11.763 ======================= Grid point 293 (122/242) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -3.515 -0.000 16.755) 17.120 1.141 ( 3.514 0.000 23.649) 23.909 1.642 ( 2.485 0.000 -12.181) 12.432 1.825 ( 6.109 0.000 17.622) 18.651 1.922 ( 7.540 0.000 11.182) 13.486 2.795 ( 2.142 0.000 2.627) 3.390 3.189 ( -10.158 -0.000 -23.840) 25.914 3.295 ( 1.858 0.000 -1.435) 2.348 4.218 ( -0.772 -0.000 -3.302) 3.391 4.402 ( 1.834 0.000 -5.366) 5.671 5.065 ( 10.805 0.000 2.081) 11.003 5.102 ( -24.917 -0.000 0.092) 24.918 5.125 ( -1.459 -0.000 4.093) 4.345 5.339 ( -0.342 -0.000 -3.681) 3.697 6.182 ( -0.181 -0.000 2.526) 2.532 6.338 ( 0.221 0.000 4.742) 4.747 7.790 ( 6.359 0.000 -3.419) 7.220 8.454 ( 0.452 0.000 0.035) 0.453 19.666 ( -0.434 -0.000 -0.495) 0.658 19.789 ( 0.446 0.000 0.510) 0.678 20.114 ( 1.095 0.000 0.537) 1.219 20.150 ( -0.291 -0.000 -0.492) 0.572 24.785 ( -0.761 -0.000 -0.647) 0.999 24.875 ( -1.041 -0.000 0.637) 1.221 31.678 ( -0.357 -0.000 -0.576) 0.677 31.784 ( 0.079 0.000 0.655) 0.660 40.931 ( 0.239 0.000 5.002) 5.008 41.405 ( -0.241 -0.000 -4.900) 4.906 45.289 ( 31.627 0.000 -0.972) 31.642 45.523 ( 5.298 0.000 0.982) 5.388 ======================= Grid point 294 (123/242) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 1.389 -9.435 19.049) 21.303 1.338 ( 4.078 -6.535 18.496) 20.036 1.614 ( 5.519 -0.357 -13.170) 14.284 1.841 ( 1.965 -2.686 -12.130) 12.578 2.340 ( 18.569 -7.178 28.341) 34.635 2.842 ( -1.698 -1.986 -5.069) 5.702 2.997 ( -4.102 -5.933 -14.829) 16.490 3.403 ( 0.594 -7.603 -2.253) 7.952 4.277 ( 0.601 -6.942 -2.071) 7.269 4.414 ( -0.587 -6.409 -4.888) 8.082 4.764 ( -18.327 6.876 8.212) 21.227 5.101 ( 2.913 4.102 -0.177) 5.034 5.173 ( -1.362 0.613 5.595) 5.791 5.410 ( -2.908 -11.779 -5.359) 13.264 6.070 ( 1.997 11.112 -0.178) 11.292 6.440 ( 8.040 1.213 5.118) 9.608 7.732 ( -1.386 6.707 -4.660) 8.283 8.395 ( -6.444 2.486 -0.335) 6.915 19.678 ( 0.153 -1.928 -0.023) 1.935 19.767 ( 0.162 2.447 -0.938) 2.626 20.126 ( 0.535 0.149 -0.424) 0.699 20.165 ( 0.394 -1.560 1.230) 2.026 24.779 ( -0.086 -0.141 -0.118) 0.204 24.871 ( 0.147 0.465 0.829) 0.962 31.661 ( 0.008 1.341 -0.431) 1.409 31.786 ( 0.123 0.330 0.693) 0.778 41.109 ( -0.303 -16.100 -0.491) 16.110 41.507 ( 0.662 -14.848 -2.008) 14.997 45.081 ( -22.687 10.385 -9.335) 26.640 45.631 ( 18.428 16.560 -3.310) 24.996 ======================= Grid point 295 (124/242) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 1.567 2.179 9.098) 9.485 1.572 ( -0.681 -6.043 2.912) 6.743 1.670 ( 6.974 -3.574 -0.459) 7.850 1.865 ( 1.281 -10.021 -14.420) 17.607 2.666 ( 11.151 -2.878 2.891) 11.874 2.912 ( 3.967 -8.226 1.533) 9.261 3.118 ( 2.124 -11.880 1.603) 12.174 3.453 ( 1.305 0.956 0.188) 1.628 4.280 ( -3.835 3.504 0.961) 5.283 4.536 ( -7.508 -2.952 4.883) 9.430 4.687 ( -1.851 -15.094 0.813) 15.229 5.022 ( -0.076 6.953 -2.172) 7.285 5.132 ( -2.779 2.586 2.724) 4.672 5.532 ( -5.075 -10.780 -5.128) 12.971 5.952 ( 2.538 5.025 -0.753) 5.680 6.500 ( 12.280 8.272 4.200) 15.391 7.560 ( -6.303 5.382 -3.044) 8.829 8.248 ( -10.062 2.976 -1.463) 10.594 19.727 ( 0.044 -3.226 -0.731) 3.308 19.738 ( 1.002 0.027 -0.652) 1.196 20.119 ( -0.052 0.503 -0.977) 1.100 20.193 ( 0.570 0.432 2.393) 2.497 24.784 ( 0.394 -0.265 0.135) 0.494 24.867 ( 0.304 0.935 0.630) 1.167 31.634 ( 0.312 1.927 -0.916) 2.157 31.783 ( -0.038 0.571 1.119) 1.257 41.381 ( 0.223 -18.633 -0.149) 18.635 41.813 ( -0.510 -21.683 1.591) 21.748 44.522 ( -26.317 14.701 -16.088) 34.169 45.422 ( 3.106 20.912 -0.648) 21.151 ======================= Grid point 296 (125/242) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 2.830 -1.303 -2.561) 4.033 1.501 ( -5.706 1.210 -8.463) 10.279 1.845 ( 5.347 -4.841 8.172) 10.900 2.088 ( 5.362 -14.353 -2.554) 15.533 2.849 ( 8.701 -5.931 -6.922) 12.602 3.002 ( -2.302 -3.324 2.804) 4.921 3.406 ( 10.003 -7.545 8.299) 15.029 3.471 ( 4.918 -1.061 1.342) 5.207 4.122 ( -7.748 7.811 0.823) 11.033 4.539 ( 0.311 -0.662 3.780) 3.851 4.757 ( -5.997 5.795 -1.600) 8.491 4.913 ( -2.951 2.075 -4.060) 5.431 5.112 ( -3.263 -2.447 1.370) 4.302 5.635 ( 3.691 -10.617 -6.251) 12.862 5.918 ( -5.547 1.202 1.433) 5.854 6.537 ( 14.541 7.242 2.026) 16.371 7.441 ( -8.342 -2.896 1.135) 8.903 8.082 ( -10.280 1.919 -1.834) 10.617 19.745 ( 0.065 -2.409 -1.745) 2.976 19.807 ( 0.529 -4.582 0.378) 4.628 20.101 ( -0.612 0.759 -1.223) 1.564 20.186 ( 1.449 3.134 2.875) 4.493 24.795 ( 0.537 -0.271 0.279) 0.662 24.854 ( 0.020 1.230 0.271) 1.260 31.598 ( 0.243 2.134 -1.795) 2.799 31.780 ( -0.097 0.533 1.726) 1.809 41.683 ( 0.115 -17.170 3.687) 17.562 42.147 ( -2.081 -18.944 5.907) 19.953 43.941 ( -19.912 12.619 -18.734) 30.111 45.100 ( -3.251 17.914 -1.274) 18.251 ======================= Grid point 297 (126/242) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 8.509 -9.960 9.089) 15.944 1.416 ( -0.605 -0.672 -6.823) 6.882 2.012 ( 2.797 -4.509 9.855) 11.193 2.344 ( 5.702 -10.803 -1.571) 12.316 2.883 ( -0.413 -0.574 -6.644) 6.682 3.140 ( 7.568 -4.591 5.228) 10.280 3.510 ( 2.542 -1.154 2.259) 3.591 3.687 ( 7.834 -5.906 3.125) 10.297 3.889 ( -6.436 9.094 -5.061) 12.237 4.521 ( -7.303 9.583 -2.100) 12.230 4.574 ( 2.254 1.837 1.989) 3.522 4.797 ( -2.315 3.912 -7.312) 8.610 5.091 ( -1.733 0.464 -2.239) 2.869 5.720 ( -7.967 6.191 -2.148) 10.316 5.921 ( 5.957 -12.020 -1.948) 13.556 6.588 ( 9.654 5.823 0.535) 11.286 7.496 ( -7.310 -11.672 7.832) 15.843 7.946 ( -8.382 0.954 -0.958) 8.490 19.780 ( -1.222 -3.209 -1.612) 3.794 19.880 ( -0.084 -4.215 -0.380) 4.233 20.060 ( -1.467 2.229 -1.098) 2.886 20.181 ( 3.597 2.415 3.473) 5.553 24.807 ( 0.510 -0.193 0.370) 0.659 24.834 ( -0.255 1.111 -0.087) 1.143 31.555 ( -0.152 1.935 -2.584) 3.232 31.783 ( 0.069 0.315 2.177) 2.200 41.932 ( -1.342 -11.703 5.071) 12.825 42.392 ( -4.561 -11.260 9.345) 15.327 43.551 ( -6.740 5.467 -14.806) 17.162 44.787 ( -6.095 12.856 -5.063) 15.101 ======================= Grid point 298 (127/242) ======================= q-point: ( 0.42 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 3.657 -1.862 -3.270) 5.247 1.676 ( 13.099 -11.087 20.893) 27.037 2.149 ( 1.174 -5.061 8.730) 10.159 2.521 ( 3.552 -4.889 -1.291) 6.179 2.878 ( 2.708 -0.913 -4.373) 5.224 3.283 ( 3.910 -0.420 7.039) 8.063 3.522 ( -3.401 5.709 1.119) 6.739 3.657 ( 0.995 0.623 -11.656) 11.715 3.854 ( 1.859 -4.366 -2.762) 5.491 4.304 ( -4.504 6.068 -3.851) 8.481 4.515 ( 1.746 8.602 -2.479) 9.121 4.738 ( 0.401 -2.527 -5.217) 5.810 5.063 ( 1.202 0.000 -4.955) 5.099 5.488 ( -8.797 6.807 -2.840) 11.480 6.153 ( 2.892 -8.540 0.572) 9.035 6.581 ( 6.432 4.927 -1.875) 8.317 7.657 ( -5.591 -9.337 12.175) 16.330 7.854 ( -5.521 0.351 0.419) 5.548 19.790 ( -2.416 -1.677 -1.889) 3.496 19.930 ( -0.011 -1.633 0.608) 1.743 20.002 ( -0.802 1.695 -1.536) 2.424 20.222 ( 3.415 0.102 3.196) 4.678 24.812 ( -0.074 0.681 0.343) 0.766 24.819 ( 0.129 -0.115 -0.230) 0.288 31.512 ( -0.409 1.189 -2.879) 3.142 31.792 ( 0.225 0.164 2.251) 2.269 42.059 ( -3.414 -4.726 4.780) 7.539 42.492 ( -3.714 -3.190 7.301) 8.790 43.486 ( 5.582 -3.020 -4.320) 7.677 44.504 ( -8.001 8.295 -10.189) 15.383 ======================= Grid point 299 (128/242) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 3.695 -2.382 -5.359) 6.931 2.000 ( 5.057 1.132 22.617) 23.203 2.361 ( 6.692 -10.848 9.785) 16.068 2.551 ( 1.415 2.190 0.566) 2.669 2.904 ( 2.847 0.140 -4.254) 5.120 3.279 ( -8.444 5.502 -1.933) 10.263 3.331 ( 1.959 4.857 -2.244) 5.698 3.726 ( 6.277 -3.903 -7.455) 10.498 3.874 ( -3.896 -1.722 -2.315) 4.848 4.216 ( -0.310 -0.311 -1.945) 1.994 4.393 ( 3.924 4.955 -8.524) 10.611 4.793 ( 1.533 -4.680 -3.609) 6.105 5.072 ( 3.325 -1.468 -7.834) 8.636 5.322 ( -6.012 1.340 0.401) 6.173 6.206 ( -4.609 2.348 3.274) 6.122 6.604 ( 6.200 -1.138 -4.495) 7.742 7.727 ( -4.782 1.713 11.879) 12.920 7.832 ( -1.119 -2.000 2.422) 3.335 19.768 ( -1.492 0.314 -1.064) 1.859 19.919 ( -0.401 2.262 1.033) 2.519 20.000 ( 0.450 -1.474 -1.577) 2.205 20.270 ( 1.266 -0.879 2.041) 2.558 24.802 ( -0.215 0.261 0.112) 0.356 24.825 ( 0.179 -0.222 -0.038) 0.288 31.486 ( -0.188 -0.090 -2.575) 2.584 31.802 ( 0.113 0.240 1.983) 2.000 42.071 ( -3.871 -0.034 4.592) 6.006 42.520 ( 3.141 2.339 5.111) 6.439 43.673 ( 10.358 -7.618 3.238) 13.259 44.238 ( -9.306 5.134 -14.451) 17.939 ======================= Grid point 300 (129/242) ======================= q-point: (-0.42 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 1.302 0.570 -7.911) 8.037 2.014 ( -4.377 7.621 14.361) 16.837 2.363 ( -6.203 6.666 2.728) 9.506 2.737 ( 4.914 -3.319 -10.991) 12.488 2.946 ( 9.404 -3.855 16.553) 19.424 3.029 ( -7.889 7.123 -15.615) 18.889 3.312 ( -2.049 0.671 6.145) 6.512 3.728 ( 1.229 4.216 -8.565) 9.625 3.874 ( 0.799 -2.020 1.937) 2.911 4.234 ( 1.539 1.088 3.793) 4.235 4.444 ( 8.407 -8.749 -10.029) 15.741 4.855 ( 0.362 -4.114 -5.703) 7.041 5.078 ( 0.749 -1.645 -7.938) 8.141 5.372 ( 3.410 -8.404 3.012) 9.557 6.038 ( -7.758 10.938 2.940) 13.728 6.680 ( 0.960 -5.080 -4.196) 6.658 7.637 ( -2.827 10.880 11.554) 16.120 7.890 ( 3.139 -2.463 0.695) 4.050 19.746 ( 0.329 1.121 0.395) 1.233 19.884 ( 0.099 2.143 -0.233) 2.158 20.015 ( 0.543 -0.278 -0.291) 0.676 20.293 ( -1.287 -1.067 0.680) 1.804 24.801 ( -0.072 -0.257 0.321) 0.417 24.829 ( -0.051 -0.292 -0.180) 0.347 31.488 ( 0.356 -1.514 -1.884) 2.443 31.805 ( -0.222 0.429 1.579) 1.651 42.036 ( -2.685 2.615 4.624) 5.952 42.554 ( 11.485 6.879 6.209) 14.757 43.831 ( -2.243 2.589 -15.731) 16.099 44.110 ( 3.609 -8.699 2.710) 9.800 ======================= Grid point 301 (130/242) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -2.499 3.867 -7.416) 8.729 1.801 ( -11.405 13.815 4.222) 18.405 2.217 ( -4.451 5.260 2.215) 7.237 2.556 ( -11.257 5.712 -17.575) 21.639 2.738 ( -7.223 11.027 -5.824) 14.411 3.284 ( 6.929 -2.406 7.239) 10.306 3.326 ( 2.916 -3.157 10.620) 11.456 3.625 ( 4.916 6.279 -3.290) 8.626 3.953 ( 2.003 -5.576 -0.670) 5.963 4.269 ( 2.649 -0.243 4.676) 5.379 4.669 ( 8.435 -9.189 -3.035) 12.837 4.877 ( 0.430 -3.010 -7.688) 8.268 5.104 ( 1.414 -4.286 -3.298) 5.590 5.622 ( 4.392 -9.975 2.930) 11.286 5.744 ( -4.047 14.835 1.175) 15.422 6.733 ( -6.708 -8.197 -4.024) 11.331 7.457 ( -0.098 14.896 9.098) 17.455 7.985 ( 6.716 -2.767 -1.747) 7.471 19.745 ( 1.759 1.144 1.310) 2.474 19.844 ( 0.109 2.659 -1.742) 3.181 20.024 ( 0.968 0.304 1.287) 1.639 20.283 ( -3.335 -0.952 -0.275) 3.479 24.809 ( 0.014 -0.333 0.337) 0.473 24.834 ( -0.358 -0.819 -0.081) 0.897 31.521 ( 0.804 -2.585 -1.179) 2.952 31.800 ( -0.564 0.504 1.270) 1.478 41.967 ( -1.894 5.792 3.629) 7.093 42.649 ( 22.360 9.643 10.273) 26.429 43.511 ( -10.852 10.387 -26.257) 30.251 44.461 ( 10.322 -16.093 8.810) 21.051 ======================= Grid point 302 (131/242) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -6.946 5.513 -0.971) 8.921 1.390 ( -14.542 17.647 -4.814) 23.368 2.098 ( -2.938 5.531 -1.493) 6.438 2.235 ( -14.455 7.858 -3.420) 16.805 2.449 ( -7.229 13.601 -1.503) 15.476 3.205 ( 1.954 9.563 -6.694) 11.835 3.460 ( 1.681 1.260 6.282) 6.624 3.670 ( 4.049 -0.824 1.433) 4.373 4.097 ( 2.299 -10.522 -1.788) 10.917 4.360 ( 5.181 -1.768 9.443) 10.915 4.805 ( 4.356 3.093 -0.604) 5.376 4.939 ( 4.836 -7.150 -6.578) 10.853 5.210 ( 0.334 -5.938 4.248) 7.309 5.364 ( -3.036 15.840 -2.897) 16.386 5.918 ( 10.148 -5.880 1.347) 11.805 6.738 ( -15.969 -10.867 -4.771) 19.897 7.309 ( 3.278 8.797 5.841) 11.057 8.106 ( 9.123 -2.443 -2.715) 9.827 19.759 ( 2.460 1.044 0.655) 2.752 19.785 ( -0.547 2.958 -2.068) 3.650 20.044 ( 1.671 0.154 2.215) 2.779 20.247 ( -4.467 -0.476 -0.392) 4.510 24.811 ( -0.153 -0.016 -0.252) 0.295 24.850 ( -0.693 -1.775 0.520) 1.975 31.572 ( 0.858 -3.105 -0.706) 3.298 31.791 ( -0.754 0.400 1.133) 1.419 41.839 ( -1.876 9.007 0.770) 9.232 42.811 ( 30.758 24.654 -12.083) 41.229 43.084 ( -7.313 4.949 0.638) 8.853 44.883 ( 8.658 -17.758 7.326) 21.071 ======================= Grid point 303 (132/242) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -7.965 14.448 4.802) 17.183 1.097 ( -9.795 6.478 10.170) 15.534 1.932 ( -5.598 9.408 -7.229) 13.119 1.959 ( -8.589 12.637 12.823) 19.948 2.157 ( -6.231 9.461 -3.899) 11.981 3.020 ( 3.226 13.009 -5.013) 14.310 3.438 ( -2.149 3.888 2.399) 5.049 3.640 ( -4.614 1.041 -9.929) 10.998 4.269 ( 1.802 -6.663 -0.486) 6.920 4.554 ( 8.115 -6.410 11.582) 15.526 4.663 ( 2.074 17.099 -1.613) 17.299 5.056 ( -0.979 -6.418 -4.614) 7.965 5.140 ( -0.283 2.383 3.939) 4.613 5.446 ( 13.787 -6.165 -3.368) 15.474 6.027 ( 4.201 1.931 -2.421) 5.219 6.646 ( -25.442 -9.843 -4.769) 27.693 7.360 ( 8.411 -2.934 7.332) 11.538 8.241 ( 10.114 -2.308 -1.786) 10.526 19.722 ( -0.637 2.192 -2.058) 3.073 19.774 ( 1.678 0.799 -0.134) 1.863 20.074 ( 1.904 0.108 1.927) 2.712 20.200 ( -4.072 0.130 0.560) 4.112 24.805 ( -0.373 -0.045 -0.668) 0.766 24.874 ( -1.421 -2.231 0.485) 2.689 31.626 ( 0.457 -3.110 -0.520) 3.186 31.783 ( -0.711 0.206 1.059) 1.292 41.649 ( -2.789 10.755 -4.838) 12.119 42.163 ( -3.933 41.835 -30.821) 52.111 43.517 ( 46.174 -2.888 34.452) 57.683 45.260 ( 3.807 -15.968 5.379) 17.274 ======================= Grid point 304 (133/242) ======================= q-point: (-0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -5.419 7.601 20.012) 22.082 1.010 ( 1.921 4.598 22.868) 23.404 1.654 ( -3.627 9.224 5.050) 11.123 1.795 ( -0.575 10.429 10.721) 14.967 1.987 ( -3.197 3.531 -6.530) 8.083 2.844 ( 1.814 9.852 -0.115) 10.018 3.323 ( -4.539 3.849 -4.220) 7.295 3.468 ( -5.675 5.255 -13.637) 15.677 4.305 ( -0.629 3.872 -2.397) 4.597 4.430 ( 2.413 7.087 -4.379) 8.673 4.842 ( 10.913 -8.096 5.702) 14.736 5.092 ( -4.384 -4.338 1.170) 6.277 5.187 ( -1.642 -4.919 0.173) 5.189 5.546 ( 5.544 11.004 -9.920) 15.819 6.042 ( -3.024 -10.080 0.105) 10.525 6.456 ( -19.151 -0.828 2.490) 19.330 7.611 ( 11.697 -7.451 4.329) 14.528 8.381 ( 7.781 -2.394 -0.022) 8.141 19.685 ( -0.568 0.999 -0.608) 1.300 19.774 ( 0.466 -0.229 -0.828) 0.977 20.099 ( 1.593 0.309 1.175) 2.004 20.166 ( -1.801 0.410 0.757) 1.996 24.797 ( -0.662 -0.105 -0.931) 1.147 24.884 ( -2.165 -1.353 0.062) 2.554 31.668 ( -0.194 -2.123 -0.678) 2.237 31.780 ( -0.332 -0.015 0.894) 0.954 41.230 ( -5.444 31.208 -11.039) 33.547 41.534 ( -0.839 14.078 -2.892) 14.397 44.446 ( 67.092 -9.973 26.914) 72.974 45.491 ( -4.089 -9.803 3.264) 11.111 ======================= Grid point 306 (134/242) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 8.918 0.000 14.857) 17.328 1.447 ( 4.786 0.000 20.406) 20.959 1.619 ( 5.919 0.000 -12.676) 13.989 1.778 ( 1.918 0.000 -15.982) 16.097 2.636 ( 14.963 0.000 16.129) 22.001 2.828 ( -0.624 -0.000 -1.252) 1.399 2.838 ( 6.789 0.000 -14.227) 15.764 3.308 ( 1.242 0.000 -2.193) 2.520 4.201 ( 1.486 0.000 -1.301) 1.975 4.345 ( -4.447 -0.000 -1.580) 4.719 4.664 ( -13.256 -0.000 8.690) 15.850 5.125 ( -2.980 -0.000 6.566) 7.211 5.212 ( 0.295 0.000 -2.779) 2.794 5.280 ( -1.393 -0.000 -4.300) 4.520 6.124 ( -6.760 -0.000 1.694) 6.969 6.631 ( 16.751 0.000 6.098) 17.826 7.695 ( -8.842 -0.000 -7.083) 11.329 8.304 ( -11.750 -0.000 -1.278) 11.819 19.665 ( 0.458 0.000 0.162) 0.486 19.794 ( -0.150 -0.000 -0.172) 0.229 20.127 ( -0.087 -0.000 -1.197) 1.200 20.163 ( 1.873 0.000 0.924) 2.088 24.780 ( 0.448 0.000 0.146) 0.472 24.884 ( 0.576 0.000 1.068) 1.213 31.672 ( 0.182 0.000 0.021) 0.183 31.794 ( 0.243 0.000 0.492) 0.549 41.019 ( 3.563 0.000 3.488) 4.986 41.385 ( 2.225 0.000 -3.422) 4.082 44.780 ( -31.156 -0.000 -17.028) 35.505 45.826 ( -1.378 -0.000 -7.310) 7.439 ======================= Grid point 307 (135/242) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 5.932 -0.678 14.879) 16.032 1.559 ( 8.519 -1.122 -3.489) 9.274 1.675 ( 1.294 -3.248 -12.249) 12.738 1.720 ( 4.922 -2.561 1.650) 5.788 2.707 ( 10.280 -1.948 -14.892) 18.201 2.839 ( -1.914 -4.463 -1.406) 5.055 3.111 ( 14.978 -6.659 15.966) 22.882 3.404 ( 1.591 -8.153 -1.894) 8.520 4.266 ( -7.356 1.513 3.214) 8.169 4.312 ( 0.257 -12.082 -0.041) 12.085 4.601 ( -2.156 0.361 4.414) 4.926 5.082 ( -3.541 5.090 -4.054) 7.408 5.134 ( -6.241 1.689 4.474) 7.862 5.313 ( -1.778 -7.985 -5.188) 9.687 6.002 ( -7.517 4.071 0.373) 8.557 6.811 ( 14.988 5.912 8.427) 18.183 7.502 ( -12.942 3.290 -5.442) 14.420 8.139 ( -12.311 1.254 -2.981) 12.729 19.689 ( 0.732 -1.862 0.211) 2.012 19.766 ( 0.161 2.244 -0.557) 2.318 20.114 ( -0.716 0.136 -1.596) 1.754 20.211 ( 2.520 -1.140 1.863) 3.335 24.789 ( 0.675 -0.118 0.237) 0.725 24.890 ( 0.463 0.806 1.155) 1.483 31.665 ( 0.626 1.509 0.010) 1.634 31.795 ( 0.029 0.362 0.635) 0.731 41.174 ( 4.220 -11.235 2.811) 12.327 41.524 ( 2.113 -14.501 -1.012) 14.689 44.272 ( -28.587 6.402 -23.247) 37.399 45.614 ( -11.719 10.929 -4.297) 16.591 ======================= Grid point 308 (136/242) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 7.373 7.285 2.149) 10.586 1.530 ( 5.121 5.941 -6.508) 10.192 1.869 ( 6.140 -8.096 4.701) 11.196 1.937 ( 8.421 -11.825 6.087) 15.741 2.803 ( 4.876 -3.443 -9.905) 11.565 2.933 ( 5.703 -7.442 -1.937) 9.574 3.406 ( 3.583 -7.552 7.578) 11.282 3.537 ( 7.528 -3.127 3.316) 8.801 4.130 ( -10.319 4.927 2.667) 11.742 4.528 ( 0.988 -8.025 2.598) 8.492 4.656 ( -0.892 -6.820 -0.858) 6.932 4.877 ( -7.938 5.459 -6.747) 11.761 5.073 ( -4.041 1.213 3.094) 5.232 5.432 ( 0.002 -11.915 -4.673) 12.798 5.865 ( -8.353 1.786 -0.869) 8.586 6.854 ( 8.898 10.027 6.688) 14.982 7.294 ( -13.545 0.054 -1.846) 13.670 7.989 ( -7.264 1.406 -2.651) 7.859 19.726 ( 0.883 -0.594 -0.929) 1.413 19.754 ( 0.103 -1.982 -0.050) 1.985 20.092 ( -1.159 0.321 -1.681) 2.067 20.255 ( 2.720 0.820 2.756) 3.958 24.800 ( 0.627 -0.184 0.212) 0.687 24.879 ( 0.049 1.533 0.829) 1.743 31.637 ( 0.705 2.758 -0.760) 2.947 31.792 ( -0.227 0.339 1.050) 1.126 41.465 ( 3.266 -15.768 6.381) 17.321 41.825 ( -0.301 -20.600 1.347) 20.646 43.777 ( -17.030 7.014 -22.987) 29.455 45.240 ( -14.675 13.727 -3.234) 20.353 ======================= Grid point 309 (137/242) ======================= q-point: ( 0.33 0.08 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 14.616 -2.513 6.178) 16.066 1.514 ( 11.955 3.977 1.662) 12.709 2.045 ( 3.032 -3.095 12.634) 13.356 2.248 ( 9.208 -11.199 -0.013) 14.498 2.835 ( 1.453 -2.104 -4.938) 5.560 3.136 ( 8.218 -7.285 -0.729) 11.006 3.513 ( 0.345 -3.717 -0.223) 3.740 3.703 ( 5.342 -3.519 5.104) 8.184 3.892 ( -12.950 8.020 -4.152) 15.788 4.553 ( -4.695 6.645 -8.310) 11.630 4.625 ( 1.514 -0.901 4.838) 5.149 4.779 ( -4.401 1.535 -2.824) 5.450 5.058 ( -2.127 -1.804 1.208) 3.040 5.639 ( -1.958 -8.799 -3.677) 9.735 5.744 ( -6.612 -5.816 -2.018) 9.034 6.785 ( 1.121 8.023 1.859) 8.311 7.236 ( -10.326 -10.544 3.736) 15.224 7.905 ( -1.272 2.499 -0.410) 2.833 19.732 ( -0.096 -0.871 -1.166) 1.459 19.810 ( 0.321 -4.140 -0.749) 4.220 20.060 ( -1.442 0.883 -1.430) 2.215 20.277 ( 2.951 2.198 3.441) 5.038 24.810 ( 0.455 -0.226 0.116) 0.521 24.855 ( -0.207 1.717 0.415) 1.778 31.589 ( 0.519 3.295 -1.588) 3.694 31.792 ( -0.369 -0.021 1.374) 1.423 41.761 ( 0.691 -13.335 7.506) 15.318 42.134 ( -3.437 -18.505 3.417) 19.129 43.489 ( -2.046 2.694 -15.287) 15.657 44.843 ( -14.888 12.399 -5.172) 20.053 ======================= Grid point 310 (138/242) ======================= q-point: ( 0.42 0.08 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 11.035 1.778 -5.013) 12.250 1.839 ( 20.195 -8.414 20.210) 29.783 2.161 ( 0.550 -1.270 12.246) 12.324 2.485 ( 7.917 -6.708 -1.892) 10.547 2.872 ( 3.532 -1.605 -3.033) 4.924 3.313 ( 4.324 -4.400 4.213) 7.470 3.534 ( -9.183 3.915 -6.801) 12.079 3.592 ( -5.145 0.119 -8.222) 9.700 3.800 ( 1.238 -2.136 2.003) 3.179 4.361 ( -1.757 8.100 -5.346) 9.863 4.640 ( -2.053 6.935 -5.991) 9.391 4.683 ( 1.247 -1.757 2.037) 2.965 5.065 ( 1.040 -0.040 -1.370) 1.721 5.465 ( -10.861 6.074 -3.166) 12.840 5.983 ( 0.357 -15.495 -0.148) 15.500 6.667 ( -3.743 4.314 -1.517) 5.909 7.401 ( -8.472 -17.676 8.074) 21.199 7.869 ( 2.843 3.457 1.386) 4.686 19.739 ( -0.626 -1.244 -1.207) 1.843 19.877 ( 0.430 -4.293 -1.242) 4.490 20.018 ( -1.079 1.862 -0.499) 2.209 20.290 ( 2.194 1.911 3.056) 4.220 24.818 ( 0.209 -0.207 -0.130) 0.322 24.829 ( -0.157 1.395 0.331) 1.442 31.535 ( 0.552 3.003 -1.866) 3.579 31.797 ( -0.537 -0.391 1.386) 1.536 41.954 ( -2.449 -7.868 6.283) 10.362 42.358 ( -1.253 -12.479 1.970) 12.695 43.493 ( 7.895 -3.576 -3.545) 9.364 44.467 ( -14.518 9.680 -8.556) 19.434 ======================= Grid point 311 (139/242) ======================= q-point: ( 0.50 0.08 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 11.962 2.812 -5.211) 13.347 2.175 ( 0.440 2.817 18.617) 18.834 2.311 ( 8.346 -10.962 5.607) 14.875 2.606 ( 5.736 -0.698 -0.408) 5.793 2.928 ( 4.633 -0.677 -0.905) 4.769 3.222 ( -11.774 6.032 -10.909) 17.147 3.392 ( -1.614 0.981 4.686) 5.052 3.635 ( 1.449 -7.260 -9.577) 12.105 3.844 ( 2.027 -0.408 2.687) 3.390 4.222 ( 1.570 4.097 -5.935) 7.381 4.489 ( 0.849 6.436 -7.810) 10.156 4.730 ( 0.250 -2.449 -0.148) 2.467 5.076 ( 3.944 0.692 -5.521) 6.820 5.273 ( -7.945 1.983 1.172) 8.272 6.143 ( -4.433 -5.637 2.817) 7.705 6.573 ( -4.351 -0.832 -4.529) 6.335 7.610 ( -8.780 -13.498 10.739) 19.355 7.878 ( 6.096 2.628 2.075) 6.955 19.748 ( 0.039 -0.900 -0.501) 1.031 19.936 ( 0.261 -2.984 -0.733) 3.083 19.979 ( 0.007 1.806 -0.063) 1.807 20.292 ( 0.165 1.230 1.554) 1.989 24.809 ( -0.013 0.793 0.073) 0.797 24.823 ( 0.025 -0.115 0.005) 0.118 31.495 ( 1.022 1.955 -1.625) 2.740 31.803 ( -0.878 -0.503 1.172) 1.548 42.031 ( -3.174 -3.190 5.274) 6.933 42.549 ( 6.247 -7.592 1.115) 9.894 43.686 ( 8.747 -6.943 2.388) 11.421 44.129 ( -13.266 6.506 -10.301) 18.012 ======================= Grid point 312 (140/242) ======================= q-point: (-0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 9.945 6.205 -6.780) 13.542 2.133 ( -6.656 6.962 11.619) 15.092 2.373 ( -5.918 2.532 -2.070) 6.762 2.691 ( 3.113 0.296 -11.659) 12.071 2.992 ( -3.557 4.540 -9.794) 11.365 3.059 ( 8.100 -4.921 12.203) 15.452 3.303 ( -8.264 2.585 4.058) 9.563 3.732 ( 5.554 -3.534 -7.748) 10.167 3.884 ( 2.561 0.247 0.582) 2.638 4.257 ( 5.176 -4.783 -2.067) 7.344 4.397 ( 3.180 1.029 -7.955) 8.628 4.763 ( -0.594 -3.301 -4.161) 5.344 5.051 ( 1.538 1.086 -6.543) 6.808 5.290 ( 0.697 -6.513 4.824) 8.134 6.083 ( -8.121 4.787 2.731) 9.815 6.549 ( -5.469 -4.801 -4.128) 8.366 7.705 ( -7.765 -3.058 12.013) 14.627 7.945 ( 7.969 0.446 1.351) 8.095 19.766 ( 1.361 -0.280 0.950) 1.683 19.935 ( 0.541 2.857 1.748) 3.393 19.994 ( 0.692 -2.579 -1.933) 3.296 20.267 ( -2.310 0.679 -0.350) 2.433 24.803 ( 0.175 0.245 0.324) 0.443 24.824 ( -0.194 -0.120 -0.245) 0.334 31.484 ( 1.680 0.485 -1.163) 2.100 31.803 ( -1.301 -0.374 0.929) 1.642 42.055 ( -1.737 -0.266 5.294) 5.578 42.758 ( 14.389 -3.160 2.600) 14.959 43.712 ( -11.018 3.091 -17.233) 20.687 44.051 ( 5.130 -8.200 8.142) 12.643 ======================= Grid point 313 (141/242) ======================= q-point: (-0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 4.896 9.858 -6.298) 12.681 1.905 ( -9.920 13.141 0.299) 16.468 2.256 ( -3.539 4.324 1.346) 5.747 2.501 ( -5.665 9.629 -13.573) 17.579 2.822 ( -0.998 8.644 -6.202) 10.685 3.214 ( -5.997 -4.185 0.637) 7.340 3.385 ( 7.050 -8.492 13.079) 17.114 3.748 ( 4.738 4.683 -5.854) 8.869 3.893 ( 0.111 -1.513 -6.252) 6.434 4.335 ( 3.198 -0.123 7.452) 8.110 4.558 ( 8.267 -13.784 -7.533) 17.751 4.784 ( -0.131 -3.586 -6.915) 7.790 5.058 ( 2.298 -2.309 -2.511) 4.113 5.483 ( 1.818 -11.345 2.874) 11.844 5.885 ( -5.544 9.408 0.859) 10.954 6.528 ( -8.612 -4.043 -2.107) 9.745 7.656 ( -5.748 6.518 11.593) 14.489 8.048 ( 8.799 -0.922 -0.233) 8.850 19.794 ( 2.429 0.580 2.329) 3.415 19.896 ( 0.672 3.708 0.119) 3.770 20.032 ( 1.212 -1.611 -0.145) 2.021 20.219 ( -4.242 -0.268 -1.947) 4.675 24.807 ( 0.163 -0.147 0.459) 0.509 24.821 ( -0.319 -0.218 -0.324) 0.505 31.504 ( 2.076 -0.871 -0.821) 2.396 31.796 ( -1.563 -0.222 0.841) 1.789 42.047 ( -0.641 3.212 5.057) 6.024 43.019 ( 23.036 -0.923 7.040) 24.105 43.387 ( -13.467 6.536 -21.937) 26.558 44.346 ( 5.152 -14.367 8.128) 17.292 ======================= Grid point 314 (142/242) ======================= q-point: (-0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 1.247 10.929 1.740) 11.136 1.532 ( -6.163 18.227 -8.722) 21.125 2.154 ( -1.728 5.653 -1.357) 6.065 2.225 ( -6.459 9.365 -4.708) 12.312 2.622 ( -1.601 13.230 0.893) 13.357 3.226 ( -1.424 -3.232 -4.929) 6.064 3.546 ( 0.896 1.763 3.148) 3.717 3.646 ( -4.770 3.276 -7.133) 9.185 3.959 ( 3.703 -9.274 -2.404) 10.272 4.445 ( 4.787 -1.528 10.398) 11.548 4.797 ( 0.078 -6.017 -2.930) 6.692 4.848 ( 8.155 -9.900 -7.691) 14.956 5.142 ( 0.205 -5.207 3.861) 6.485 5.497 ( -5.911 8.179 -2.756) 10.461 5.887 ( 7.539 -9.542 0.655) 12.178 6.446 ( -12.325 -1.016 -2.134) 12.549 7.520 ( -2.048 9.947 9.581) 13.962 8.165 ( 8.115 -2.077 -1.168) 8.457 19.818 ( 2.758 1.721 1.571) 3.611 19.833 ( 0.039 4.307 -0.851) 4.390 20.070 ( 1.703 -0.672 1.229) 2.205 20.170 ( -4.771 -1.542 -1.931) 5.373 24.807 ( -0.366 0.110 -0.264) 0.464 24.828 ( -0.084 -0.830 0.448) 0.947 31.545 ( 1.974 -1.760 -0.762) 2.753 31.785 ( -1.521 -0.174 0.937) 1.795 41.974 ( -0.512 8.133 2.812) 8.620 42.974 ( -13.801 13.100 -21.515) 28.722 43.414 ( 33.174 -4.103 11.285) 35.280 44.677 ( 1.031 -18.364 5.045) 19.072 ======================= Grid point 315 (143/242) ======================= q-point: (-0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -2.638 14.316 -3.819) 15.050 1.256 ( 5.643 10.999 13.350) 18.195 1.995 ( -5.969 6.842 -5.418) 10.573 2.034 ( 0.889 9.236 -3.207) 9.818 2.393 ( -0.022 16.114 8.080) 18.026 3.182 ( -0.428 5.741 -6.472) 8.662 3.446 ( -3.904 6.495 -3.332) 8.278 3.511 ( -7.778 -2.436 -9.144) 12.250 4.171 ( 2.981 -9.567 2.170) 10.253 4.580 ( 3.428 -4.088 8.160) 9.749 4.852 ( 1.098 -2.365 -0.751) 2.714 4.998 ( 1.491 4.059 0.327) 4.337 5.129 ( -9.065 0.254 4.321) 10.045 5.458 ( 13.569 -7.335 -7.509) 17.155 6.113 ( 6.245 -0.185 -1.005) 6.328 6.246 ( -18.109 -2.591 -2.855) 18.515 7.461 ( 3.135 2.019 7.659) 8.519 8.281 ( 5.614 -3.275 -1.082) 6.589 19.758 ( 0.256 3.944 -1.845) 4.362 19.813 ( 0.882 2.344 -0.336) 2.527 20.098 ( 1.271 -0.216 0.315) 1.328 20.152 ( -2.848 -1.843 1.584) 3.744 24.797 ( -0.539 0.158 -0.491) 0.746 24.844 ( -0.263 -1.009 0.687) 1.249 31.592 ( 1.430 -2.156 -0.849) 2.723 31.778 ( -1.169 -0.213 1.060) 1.592 41.798 ( -1.571 13.041 -2.500) 13.371 42.435 ( -11.542 23.934 -18.192) 32.203 44.036 ( 40.558 -13.247 15.713) 45.468 44.979 ( -4.900 -19.828 1.798) 20.503 ======================= Grid point 316 (144/242) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -2.431 6.350 12.093) 13.873 1.291 ( 9.878 7.774 19.435) 23.146 1.747 ( -2.630 10.675 -11.537) 15.936 1.922 ( 3.043 5.545 -5.532) 8.403 2.246 ( 7.294 13.967 17.497) 23.546 2.993 ( -4.056 8.492 -5.410) 10.855 3.234 ( -6.192 7.803 -9.981) 14.101 3.472 ( -2.062 -0.999 -3.063) 3.825 4.298 ( 0.832 -3.175 -0.534) 3.326 4.670 ( -0.717 14.455 -2.093) 14.624 4.745 ( -4.716 -2.886 8.381) 10.040 4.972 ( 0.233 -6.148 1.891) 6.437 5.152 ( -0.789 -2.854 0.127) 2.964 5.749 ( 10.161 6.214 -5.087) 12.951 5.812 ( -9.843 -2.721 -5.673) 11.682 6.329 ( -0.785 -6.589 4.459) 7.995 7.590 ( 4.285 -7.504 2.617) 9.029 8.374 ( 0.654 -3.975 -0.417) 4.050 19.707 ( 0.502 2.239 -0.254) 2.309 19.770 ( -0.586 1.413 -2.779) 3.172 20.115 ( 0.867 -0.385 -0.107) 0.955 20.166 ( -0.617 -0.319 2.990) 3.070 24.786 ( -0.489 0.169 -0.419) 0.666 24.859 ( -0.305 -0.817 0.716) 1.129 31.634 ( 0.595 -2.066 -0.785) 2.289 31.778 ( -0.494 -0.335 0.997) 1.162 41.483 ( -4.276 19.261 -9.468) 21.884 41.858 ( -4.114 26.612 -4.044) 27.230 44.837 ( 32.040 -22.406 6.818) 39.687 45.197 ( -6.857 -17.409 0.326) 18.713 ======================= Grid point 319 (145/242) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 11.644 0.000 15.362) 19.276 1.580 ( 3.404 0.000 -14.948) 15.331 1.657 ( 9.253 0.000 -13.563) 16.418 1.799 ( 4.879 0.000 18.476) 19.109 2.754 ( -3.088 -0.000 -2.822) 4.183 2.755 ( 16.683 0.000 -17.801) 24.397 3.305 ( 1.146 0.000 -4.484) 4.628 3.307 ( 11.431 0.000 13.704) 17.845 4.204 ( -9.233 -0.000 5.364) 10.678 4.245 ( 2.315 0.000 -0.041) 2.315 4.623 ( 1.436 0.000 3.427) 3.715 5.023 ( -8.894 -0.000 -10.826) 14.011 5.110 ( -5.580 -0.000 7.183) 9.095 5.203 ( -0.745 -0.000 -3.960) 4.029 5.923 ( -11.821 -0.000 1.353) 11.898 7.040 ( 6.262 0.000 9.649) 11.503 7.329 ( -16.871 -0.000 -3.452) 17.220 8.014 ( -6.453 -0.000 -3.795) 7.487 19.687 ( 0.975 0.000 0.610) 1.150 19.781 ( -0.453 -0.000 -0.638) 0.783 20.094 ( -1.163 -0.000 -1.836) 2.173 20.247 ( 3.905 0.000 1.781) 4.292 24.797 ( 0.681 0.000 0.176) 0.703 24.909 ( 0.161 0.000 1.621) 1.629 31.689 ( 0.839 0.000 0.597) 1.030 31.800 ( -0.097 -0.000 0.386) 0.398 41.146 ( 6.012 0.000 -0.519) 6.035 41.442 ( 4.167 0.000 0.527) 4.200 43.901 ( -21.426 -0.000 -26.390) 33.993 45.489 ( -19.620 -0.000 -4.235) 20.072 ======================= Grid point 320 (146/242) ======================= q-point: ( 0.25 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 10.907 7.827 2.633) 13.681 1.658 ( 7.919 1.742 -4.850) 9.448 1.787 ( 13.343 -11.673 -0.463) 17.734 1.982 ( 5.154 -3.623 18.168) 19.229 2.744 ( -1.150 -3.506 -2.712) 4.579 2.924 ( 17.944 -4.713 -12.599) 22.426 3.328 ( -0.929 -4.909 -0.976) 5.091 3.530 ( 4.739 -8.253 3.930) 10.297 4.079 ( -12.522 3.417 3.027) 13.328 4.343 ( 0.902 -9.866 -1.005) 9.958 4.647 ( 1.617 0.860 -3.136) 3.632 4.841 ( -5.657 4.229 -5.033) 8.672 5.054 ( -6.291 0.978 2.757) 6.938 5.253 ( -0.348 -7.636 -1.564) 7.802 5.775 ( -11.941 1.656 0.715) 12.076 7.017 ( -9.193 4.407 4.585) 11.178 7.127 ( -14.341 0.738 -0.100) 14.360 7.983 ( 4.074 1.769 0.109) 4.443 19.713 ( 0.954 -1.482 0.386) 1.805 19.759 ( -0.114 1.528 -0.678) 1.675 20.071 ( -1.307 0.068 -1.694) 2.140 20.304 ( 3.436 -0.315 1.854) 3.917 24.805 ( 0.513 -0.087 0.037) 0.521 24.906 ( -0.338 1.143 1.403) 1.841 31.684 ( 0.696 1.983 0.133) 2.106 31.797 ( -0.357 0.289 0.451) 0.643 41.313 ( 5.144 -11.891 1.358) 13.027 41.585 ( 3.679 -10.585 0.943) 11.246 43.584 ( -8.510 2.106 -22.231) 23.897 45.177 ( -21.054 6.649 -3.722) 22.390 ======================= Grid point 321 (147/242) ======================= q-point: ( 0.33 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 13.176 3.477 2.896) 13.932 1.737 ( 15.406 1.020 2.248) 15.603 2.077 ( 4.931 -6.356 10.013) 12.844 2.222 ( 9.442 -7.753 8.973) 15.158 2.796 ( 1.336 -3.744 -0.842) 4.063 3.143 ( 14.498 -4.664 -6.000) 16.369 3.390 ( -4.674 -6.681 -1.616) 8.313 3.665 ( -2.822 -4.982 -7.511) 9.444 3.852 ( -12.098 5.984 4.357) 14.183 4.511 ( -2.325 -8.645 -6.404) 11.007 4.572 ( -0.964 0.802 -5.877) 6.009 4.795 ( 1.363 2.075 6.464) 6.924 4.993 ( -5.068 -2.041 0.926) 5.541 5.410 ( 0.617 -13.872 -3.089) 14.226 5.611 ( -11.551 2.556 -1.038) 11.876 6.818 ( -14.127 4.037 2.055) 14.835 7.007 ( -10.938 -4.321 0.815) 11.789 8.012 ( 7.768 4.795 2.967) 9.599 19.734 ( 0.408 1.100 -0.728) 1.381 19.757 ( 0.608 -2.763 -0.240) 2.840 20.047 ( -1.115 0.279 -1.253) 1.701 20.343 ( 2.218 0.758 1.945) 3.046 24.811 ( 0.295 -0.161 -0.108) 0.353 24.883 ( -0.490 1.750 0.852) 2.007 31.647 ( 0.699 3.391 -0.675) 3.528 31.790 ( -0.699 0.083 0.565) 0.903 41.590 ( 1.214 -14.450 5.560) 15.530 41.836 ( 2.333 -16.099 -0.868) 16.290 43.448 ( 3.474 0.218 -12.764) 13.230 44.796 ( -19.302 9.474 -4.285) 21.925 ======================= Grid point 322 (148/242) ======================= q-point: ( 0.42 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 13.085 2.932 -1.257) 13.468 1.998 ( 15.195 -6.232 7.189) 17.928 2.224 ( 0.320 -1.236 15.000) 15.054 2.477 ( 10.139 -6.582 0.475) 12.097 2.878 ( 3.888 -2.775 0.533) 4.806 3.310 ( 2.183 -2.908 -4.972) 6.160 3.383 ( -6.889 -2.079 -5.032) 8.781 3.471 ( -10.023 1.010 -7.653) 12.651 3.831 ( 1.933 -0.605 6.352) 6.667 4.439 ( 1.621 4.863 -9.147) 10.485 4.585 ( -3.933 -1.135 -3.388) 5.314 4.767 ( -0.154 4.267 4.120) 5.934 5.044 ( -0.408 -4.617 3.076) 5.562 5.416 ( -10.356 5.121 -2.085) 11.740 5.679 ( -0.472 -20.553 -2.716) 20.737 6.619 ( -12.224 2.518 -0.346) 12.486 7.049 ( -10.345 -15.020 3.169) 18.511 8.029 ( 8.088 6.200 3.180) 10.675 19.726 ( 0.611 0.084 -0.647) 0.894 19.811 ( 0.436 -3.609 -1.048) 3.783 20.027 ( -0.441 0.621 -0.211) 0.790 20.349 ( 0.708 1.733 1.635) 2.485 24.815 ( 0.096 -0.190 -0.243) 0.323 24.854 ( -0.312 1.689 0.521) 1.795 31.594 ( 1.079 3.790 -0.888) 4.039 31.785 ( -1.096 -0.395 0.474) 1.258 41.815 ( -1.803 -10.611 5.738) 12.197 42.124 ( 3.374 -17.056 -2.160) 17.520 43.513 ( 8.644 -3.515 -3.184) 9.860 44.413 ( -16.358 10.145 -5.139) 19.923 ======================= Grid point 323 (149/242) ======================= q-point: ( 0.50 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 14.614 3.636 -2.026) 15.196 2.257 ( 5.737 -7.369 -1.633) 9.480 2.270 ( -4.214 2.013 13.949) 14.710 2.646 ( 6.944 -2.555 -1.694) 7.591 2.970 ( 4.603 -1.961 2.058) 5.410 3.107 ( -8.435 2.310 -13.152) 15.794 3.360 ( -8.780 -0.323 1.672) 8.944 3.510 ( 4.138 -6.585 -1.046) 7.848 3.898 ( 4.059 0.077 4.174) 5.823 4.319 ( 2.490 7.877 -6.469) 10.492 4.504 ( -1.069 1.992 -9.630) 9.892 4.732 ( -1.584 1.593 3.406) 4.080 5.116 ( 4.317 -0.290 -0.517) 4.357 5.227 ( -7.813 3.423 1.185) 8.612 5.950 ( -3.321 -14.843 1.010) 15.244 6.462 ( -9.547 0.230 -3.551) 10.188 7.250 ( -11.237 -21.262 6.762) 24.982 8.041 ( 8.086 5.303 2.437) 9.972 19.740 ( 1.186 -0.789 -0.031) 1.425 19.868 ( 0.108 -4.035 -1.877) 4.452 20.015 ( 0.507 1.287 1.144) 1.795 20.321 ( -0.991 2.232 0.701) 2.541 24.817 ( 0.011 -0.088 -0.331) 0.342 24.830 ( -0.110 1.192 0.422) 1.270 31.549 ( 1.756 3.308 -0.639) 3.799 31.782 ( -1.579 -0.776 0.298) 1.784 41.951 ( -2.009 -6.459 5.167) 8.512 42.432 ( 7.507 -16.025 -3.190) 17.981 43.664 ( 3.943 -4.690 -1.274) 6.259 44.080 ( -10.327 8.300 -2.181) 13.428 ======================= Grid point 324 (150/242) ======================= q-point: (-0.42 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 13.052 7.836 -4.185) 15.788 2.185 ( -9.380 4.806 5.719) 11.991 2.327 ( 0.356 -0.460 -2.641) 2.704 2.704 ( 3.620 1.033 -5.364) 6.553 2.968 ( -2.481 2.168 -7.821) 8.487 3.092 ( 2.826 -3.991 5.512) 7.369 3.249 ( -9.345 0.632 3.932) 10.158 3.673 ( 6.979 -7.890 -6.597) 12.429 3.934 ( 1.204 2.289 0.644) 2.666 4.247 ( 5.668 0.594 -7.019) 9.041 4.415 ( -0.170 2.703 -6.892) 7.405 4.713 ( -1.218 -0.507 -0.261) 1.345 5.079 ( 1.439 3.472 -3.907) 5.421 5.248 ( 2.245 -4.061 6.075) 7.645 6.036 ( -6.817 -1.988 2.198) 7.434 6.383 ( -6.669 -4.467 -4.004) 8.970 7.483 ( -11.248 -17.545 10.204) 23.205 8.075 ( 7.824 2.985 1.402) 8.490 19.777 ( 1.785 -1.322 1.264) 2.556 19.922 ( -0.053 -4.011 -2.132) 4.543 20.005 ( 1.196 2.180 1.581) 2.947 20.264 ( -2.451 2.546 -0.559) 3.578 24.815 ( 0.345 0.479 0.108) 0.600 24.818 ( -0.355 0.154 -0.053) 0.391 31.526 ( 2.430 2.199 -0.377) 3.299 31.776 ( -2.025 -0.911 0.254) 2.235 42.038 ( -0.863 -3.481 5.618) 6.665 42.769 ( 12.488 -14.783 -4.878) 19.957 43.577 ( -10.682 5.801 -9.382) 15.355 44.038 ( 2.835 -4.478 8.006) 9.601 ======================= Grid point 325 (151/242) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 8.544 12.315 -3.987) 15.510 1.994 ( -7.494 9.821 2.272) 12.561 2.311 ( 2.707 3.424 -0.115) 4.366 2.577 ( -2.213 11.752 -8.364) 14.594 2.894 ( 1.109 1.957 -4.452) 4.988 3.082 ( -7.924 -1.193 1.314) 8.120 3.344 ( 1.989 -9.057 7.558) 11.963 3.800 ( 4.129 -0.360 -8.738) 9.671 3.844 ( -2.929 1.305 -8.250) 8.851 4.364 ( 5.178 -10.581 -6.784) 13.594 4.393 ( 2.200 -1.757 -0.046) 2.816 4.721 ( 1.071 -1.567 -3.318) 3.822 5.062 ( 3.028 0.376 -1.190) 3.275 5.394 ( 3.973 -5.911 4.328) 8.334 5.932 ( -5.387 4.481 -0.515) 7.026 6.377 ( -6.313 -4.227 -0.328) 7.604 7.622 ( -9.542 -7.536 12.153) 17.191 8.134 ( 6.616 0.535 0.322) 6.646 19.829 ( 1.779 -1.159 2.903) 3.596 19.960 ( 0.892 0.761 -0.337) 1.220 19.997 ( 0.346 -1.263 -0.776) 1.522 20.186 ( -2.885 2.563 -1.616) 4.184 24.811 ( -0.294 0.197 0.079) 0.363 24.816 ( 0.269 0.004 -0.005) 0.269 31.530 ( 2.692 0.892 -0.424) 2.867 31.768 ( -2.171 -0.899 0.486) 2.399 42.096 ( 0.059 -0.388 6.312) 6.324 43.089 ( 4.925 -11.559 -17.617) 21.638 43.336 ( 1.836 6.431 3.960) 7.772 44.218 ( 0.368 -9.995 6.562) 11.962 ======================= Grid point 326 (152/242) ======================= q-point: (-0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 7.006 13.685 5.625) 16.371 1.714 ( -3.275 15.469 -6.639) 17.149 2.247 ( 2.494 9.546 -8.619) 13.101 2.322 ( -3.288 9.236 3.492) 10.407 2.813 ( 2.321 9.986 -0.637) 10.272 3.086 ( -3.186 -7.359 -2.747) 8.477 3.459 ( -8.647 -2.781 -1.778) 9.256 3.660 ( -2.663 2.934 -6.637) 7.730 3.889 ( 5.994 -4.301 -4.704) 8.749 4.493 ( 2.668 -3.922 5.941) 7.602 4.579 ( -2.075 -15.549 -5.693) 16.688 4.762 ( 5.230 -4.004 -7.673) 10.112 5.112 ( 2.363 -2.053 1.573) 3.503 5.514 ( 2.995 -0.439 -0.565) 3.079 5.851 ( 0.575 -1.289 -0.851) 1.648 6.352 ( -5.651 -0.300 1.799) 5.938 7.629 ( -6.341 2.223 11.849) 13.622 8.203 ( 4.166 -1.345 -0.535) 4.410 19.870 ( 0.508 0.344 3.662) 3.713 19.915 ( 1.670 5.139 -1.082) 5.511 20.042 ( -1.179 -4.322 -0.753) 4.543 20.116 ( -1.201 1.582 -1.840) 2.708 24.803 ( -0.427 0.165 -0.211) 0.504 24.823 ( 0.302 -0.290 0.326) 0.531 31.551 ( 2.358 -0.245 -0.819) 2.508 31.762 ( -1.895 -0.834 0.936) 2.273 42.097 ( 0.170 4.732 5.338) 7.136 42.892 ( -12.507 6.763 -15.660) 21.152 43.652 ( 24.152 -11.063 5.634) 27.156 44.413 ( -3.942 -14.079 3.241) 14.975 ======================= Grid point 327 (153/242) ======================= q-point: (-0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -2.513 16.453 -7.030) 18.067 1.596 ( 10.112 11.062 9.086) 17.526 2.027 ( -5.809 8.591 -4.992) 11.510 2.211 ( 4.682 9.944 -2.119) 11.193 2.657 ( 1.827 12.002 4.032) 12.793 3.161 ( 0.480 -2.048 -2.437) 3.219 3.305 ( -9.749 -2.494 -10.255) 14.368 3.542 ( -1.911 7.887 -2.882) 8.612 4.063 ( 3.371 -9.585 1.166) 10.228 4.583 ( -2.212 -1.751 6.316) 6.918 4.711 ( -4.004 -10.596 0.055) 11.328 4.918 ( 4.190 -11.051 -9.598) 15.225 5.153 ( -1.550 2.329 6.844) 7.394 5.508 ( 10.670 2.727 -8.954) 14.193 5.973 ( -1.521 -10.702 1.356) 10.895 6.265 ( -1.525 6.801 0.817) 7.018 7.562 ( -2.599 4.785 8.962) 10.486 8.259 ( 0.432 -2.781 -0.967) 2.976 19.832 ( 0.813 5.371 -0.996) 5.523 19.858 ( -0.534 2.946 0.329) 3.012 20.087 ( -1.172 -2.867 0.382) 3.120 20.106 ( 0.639 -1.358 0.108) 1.505 24.795 ( -0.299 0.279 -0.202) 0.456 24.834 ( 0.136 -0.605 0.391) 0.733 31.579 ( 1.569 -1.090 -1.305) 2.314 31.762 ( -1.291 -0.732 1.360) 2.013 41.981 ( -1.003 11.828 0.908) 11.905 42.542 ( -9.896 13.637 -8.081) 18.687 44.170 ( 19.370 -18.651 2.860) 27.041 44.611 ( -4.838 -16.840 1.172) 17.560 ======================= Grid point 328 (154/242) ======================= q-point: (-0.08 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.150 7.377 -1.390) 7.508 1.603 ( 8.050 8.011 10.974) 15.793 1.793 ( -7.300 7.230 -7.047) 12.459 2.068 ( 3.777 11.180 -8.698) 14.660 2.582 ( 9.128 8.139 9.425) 15.440 3.044 ( 0.165 9.243 -4.704) 10.373 3.295 ( -7.447 0.914 -0.702) 7.535 3.397 ( 3.319 1.835 -3.238) 4.986 4.221 ( -1.079 -7.171 1.430) 7.391 4.579 ( -7.012 -2.041 4.846) 8.765 4.846 ( -2.478 -7.637 1.711) 8.209 4.984 ( -2.355 4.547 0.054) 5.121 5.099 ( 3.520 1.752 0.403) 3.952 5.629 ( 6.185 -6.966 -9.503) 13.308 5.967 ( -4.385 9.304 3.025) 10.721 6.262 ( 7.723 -5.448 -0.296) 9.456 7.540 ( -1.790 -1.280 3.257) 3.930 8.284 ( -4.627 -3.609 -1.069) 5.965 19.761 ( 0.922 3.586 -1.537) 4.009 19.793 ( -0.614 3.891 -0.722) 4.005 20.110 ( 0.396 -0.857 -0.482) 1.060 20.153 ( -0.338 -2.660 2.669) 3.784 24.787 ( -0.008 0.336 -0.060) 0.342 24.849 ( 0.101 -0.808 0.428) 0.920 31.607 ( 0.667 -1.647 -1.440) 2.287 31.770 ( -0.529 -0.662 1.465) 1.692 41.711 ( -2.429 18.155 -3.373) 18.625 42.171 ( -4.518 20.121 0.152) 20.623 44.537 ( -13.168 -21.004 -8.635) 26.251 44.956 ( 12.573 -20.891 4.565) 24.807 ======================= Grid point 332 (155/242) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 6.427 0.000 2.511) 6.900 1.717 ( 14.558 0.000 -3.428) 14.956 1.845 ( 13.425 0.000 -0.213) 13.426 2.105 ( 3.819 0.000 21.929) 22.259 2.673 ( -2.104 -0.000 -0.385) 2.139 3.060 ( 22.303 0.000 -13.199) 25.916 3.270 ( 0.719 0.000 -6.388) 6.428 3.483 ( -1.755 -0.000 0.699) 1.889 3.961 ( -15.274 -0.000 1.020) 15.308 4.270 ( 0.098 0.000 -2.204) 2.206 4.613 ( -0.762 -0.000 -13.529) 13.550 4.858 ( 1.309 0.000 5.669) 5.818 4.981 ( -7.337 -0.000 -1.054) 7.412 5.185 ( -2.009 -0.000 2.625) 3.306 5.664 ( -11.425 -0.000 3.478) 11.943 6.873 ( -18.492 -0.000 2.265) 18.630 6.990 ( -13.309 -0.000 -1.129) 13.357 8.102 ( 9.548 0.000 4.728) 10.654 19.713 ( 0.697 0.000 0.538) 0.881 19.768 ( -0.085 -0.000 -0.529) 0.535 20.050 ( -1.147 -0.000 -1.227) 1.680 20.345 ( 3.037 0.000 0.837) 3.150 24.809 ( 0.312 0.000 -0.141) 0.342 24.916 ( -0.875 -0.000 1.398) 1.649 31.706 ( 0.154 0.000 0.140) 0.208 31.797 ( -0.446 -0.000 0.153) 0.472 41.268 ( 6.835 0.000 -4.495) 8.181 41.577 ( 5.152 0.000 4.424) 6.791 43.460 ( 1.308 0.000 -16.291) 16.343 44.963 ( -21.782 -0.000 -3.435) 22.051 ======================= Grid point 333 (156/242) ======================= q-point: ( 0.33 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 9.852 3.318 -0.427) 10.404 1.885 ( 12.230 -1.996 -0.200) 12.393 2.066 ( 7.675 -8.411 4.766) 12.344 2.279 ( 3.441 -4.041 18.726) 19.464 2.718 ( -0.521 -6.511 1.830) 6.783 3.221 ( 4.440 -1.444 -9.511) 10.596 3.273 ( 7.190 -2.036 -3.985) 8.469 3.474 ( -3.460 -3.551 -13.140) 14.044 3.813 ( -8.378 0.168 7.720) 11.394 4.307 ( -1.661 -7.912 -4.488) 9.247 4.540 ( 0.921 0.082 -13.027) 13.060 4.892 ( -0.011 0.429 4.988) 5.007 4.897 ( -4.976 1.470 1.434) 5.383 5.217 ( -4.618 -7.108 0.673) 8.503 5.557 ( -6.974 2.690 4.213) 8.581 6.677 ( -16.552 0.794 2.364) 16.739 6.835 ( -12.338 -1.107 -2.009) 12.550 8.203 ( 8.299 3.570 5.334) 10.492 19.731 ( 0.332 -1.200 0.178) 1.258 19.757 ( 0.484 1.081 -0.383) 1.245 20.034 ( -0.808 0.049 -0.631) 1.026 20.376 ( 1.686 0.086 0.206) 1.701 24.811 ( 0.113 -0.087 -0.278) 0.312 24.902 ( -0.947 1.032 0.964) 1.701 31.692 ( 0.124 1.759 -0.375) 1.802 31.787 ( -0.713 0.408 0.050) 0.823 41.411 ( 4.628 -10.778 -3.109) 12.135 41.712 ( 4.939 -6.739 3.778) 9.170 43.457 ( 7.959 -0.534 -8.421) 11.600 44.673 ( -18.861 4.921 -3.053) 19.730 ======================= Grid point 334 (157/242) ======================= q-point: ( 0.42 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 10.742 1.931 0.597) 10.930 2.060 ( 8.836 -4.581 -0.259) 9.956 2.248 ( -0.119 -3.901 9.229) 10.021 2.487 ( 4.850 -7.225 7.857) 11.725 2.851 ( 1.554 -6.877 3.614) 7.923 3.129 ( -10.469 -0.366 -11.494) 15.552 3.326 ( -3.911 -1.765 -6.814) 8.052 3.435 ( 6.756 1.258 -2.507) 7.315 3.871 ( 3.972 -2.177 8.071) 9.256 4.397 ( 0.224 -5.804 -9.434) 11.078 4.524 ( -0.180 -2.738 -4.301) 5.102 4.802 ( -5.988 1.554 -0.564) 6.212 4.964 ( 1.272 -5.320 6.999) 8.883 5.277 ( -9.373 -8.762 -1.507) 12.919 5.488 ( 0.578 0.736 1.087) 1.435 6.501 ( -12.683 1.306 0.283) 12.753 6.758 ( -11.201 -7.336 -0.044) 13.390 8.234 ( 6.625 5.784 3.913) 9.626 19.741 ( 0.779 0.637 -0.521) 1.133 19.766 ( 0.301 -1.996 -0.288) 2.039 20.028 ( -0.102 -0.129 0.237) 0.289 20.378 ( 0.075 1.025 -0.095) 1.033 24.811 ( -0.043 -0.164 -0.371) 0.407 24.877 ( -0.606 1.435 0.624) 1.678 31.657 ( 0.780 2.825 -0.462) 2.967 31.771 ( -1.177 0.262 -0.129) 1.212 41.635 ( 1.361 -13.043 0.335) 13.118 41.928 ( 4.942 -12.139 0.297) 13.110 43.552 ( 8.647 -1.996 -2.457) 9.208 44.368 ( -13.960 8.006 -2.104) 16.230 ======================= Grid point 335 (158/242) ======================= q-point: ( 0.50 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 11.488 0.829 1.135) 11.573 2.182 ( 0.715 -3.645 -6.498) 7.485 2.303 ( -2.549 -1.042 11.279) 11.610 2.668 ( 5.939 -4.532 0.382) 7.480 2.944 ( -5.082 0.119 -5.755) 7.679 3.003 ( -0.415 -5.407 0.161) 5.425 3.260 ( -3.628 1.070 -4.744) 6.068 3.498 ( 2.363 -2.186 3.166) 4.515 3.975 ( 4.782 0.499 4.346) 6.481 4.392 ( 2.730 1.026 -11.174) 11.548 4.496 ( -1.037 3.749 -1.885) 4.322 4.729 ( -4.984 0.108 1.179) 5.123 5.131 ( 3.025 -5.439 8.299) 10.374 5.229 ( -4.502 2.520 0.626) 5.197 5.628 ( -1.595 -17.883 -3.027) 18.208 6.351 ( -9.003 1.319 -2.876) 9.542 6.827 ( -11.463 -16.888 2.711) 20.590 8.224 ( 5.664 5.791 2.408) 8.451 19.746 ( 1.325 -0.256 -0.566) 1.463 19.804 ( -0.155 -2.966 -0.808) 3.078 20.038 ( 0.724 -0.083 1.197) 1.401 20.344 ( -1.244 2.145 -0.286) 2.496 24.811 ( -0.157 -0.207 -0.422) 0.495 24.852 ( -0.185 1.369 0.496) 1.468 31.621 ( 1.627 3.177 -0.119) 3.571 31.753 ( -1.698 -0.255 -0.342) 1.751 41.834 ( -0.103 -9.722 3.649) 10.385 42.213 ( 5.878 -17.374 -4.266) 18.831 43.643 ( 2.318 -0.846 -1.942) 3.140 44.116 ( -6.182 7.462 1.727) 9.843 ======================= Grid point 336 (159/242) ======================= q-point: (-0.42 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 9.475 4.586 -4.182) 11.327 2.145 ( -5.318 -0.201 2.780) 6.004 2.360 ( 3.322 0.156 3.739) 5.004 2.735 ( 1.294 0.879 0.422) 1.620 2.903 ( -0.993 -4.240 -8.536) 9.582 3.102 ( 2.853 -0.074 0.352) 2.875 3.158 ( -6.952 -0.247 2.613) 7.431 3.596 ( 3.250 -5.794 -2.238) 7.010 3.971 ( -2.872 3.422 -1.203) 4.627 4.330 ( 4.826 5.176 -7.541) 10.342 4.421 ( 0.682 2.457 -4.951) 5.569 4.693 ( -2.497 -0.630 1.110) 2.804 5.156 ( 2.192 4.824 0.253) 5.305 5.271 ( 4.915 -2.642 7.055) 8.995 5.860 ( -5.184 -13.496 0.485) 14.466 6.241 ( -5.546 -1.298 -4.810) 7.455 7.049 ( -11.543 -23.865 6.497) 27.294 8.212 ( 4.725 4.195 1.359) 6.463 19.774 ( 1.261 -1.637 -0.110) 2.069 19.848 ( -0.326 -3.578 -1.188) 3.784 20.052 ( 1.212 0.813 1.519) 2.106 20.283 ( -1.831 3.054 -0.412) 3.584 24.810 ( -0.279 -0.180 -0.415) 0.531 24.835 ( 0.160 1.059 0.451) 1.162 31.595 ( 2.249 2.856 0.066) 3.636 31.738 ( -2.073 -0.757 -0.262) 2.222 41.981 ( -0.265 -6.526 5.741) 8.696 42.548 ( 5.650 -19.723 -9.117) 22.451 43.571 ( -3.017 5.949 -2.705) 7.198 44.054 ( 0.346 -0.012 6.028) 6.037 ======================= Grid point 337 (160/242) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 4.768 6.550 -6.794) 10.573 2.081 ( -5.390 7.805 10.941) 14.480 2.422 ( 8.103 1.836 1.270) 8.405 2.709 ( 1.594 7.512 -8.022) 11.105 2.841 ( -6.659 -0.533 1.334) 6.812 3.061 ( 2.406 2.300 -0.493) 3.365 3.236 ( -2.332 -7.502 3.849) 8.748 3.715 ( 0.421 -7.967 -8.698) 11.803 3.799 ( -5.467 5.673 -8.900) 11.886 4.291 ( 4.609 1.138 -8.634) 9.853 4.407 ( 2.266 -0.646 -0.811) 2.492 4.709 ( 1.480 -1.450 -0.441) 2.119 5.129 ( 4.650 3.351 -1.264) 5.869 5.410 ( 5.604 -3.189 6.467) 9.132 5.900 ( -4.949 -0.874 -1.537) 5.256 6.239 ( -3.392 -5.693 -1.383) 6.770 7.337 ( -9.828 -20.795 10.762) 25.394 8.212 ( 2.958 2.047 0.607) 3.648 19.821 ( 0.343 -2.631 1.087) 2.867 19.899 ( -0.312 -4.039 -1.397) 4.285 20.047 ( 1.313 2.543 0.846) 2.984 20.208 ( -1.382 3.546 -0.535) 3.843 24.806 ( -0.366 -0.032 -0.277) 0.460 24.827 ( 0.330 0.586 0.322) 0.746 31.582 ( 2.326 2.058 -0.292) 3.119 31.729 ( -2.037 -1.090 0.294) 2.329 42.096 ( -0.082 -4.023 7.480) 8.494 42.796 ( -2.931 -13.839 -15.883) 21.270 43.493 ( 7.240 2.729 3.226) 8.383 44.120 ( -1.382 -4.728 4.954) 6.986 ======================= Grid point 338 (161/242) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -6.738 9.887 -0.326) 11.970 1.937 ( 5.069 10.778 5.828) 13.260 2.414 ( -5.142 16.178 -9.061) 19.242 2.465 ( 7.106 5.564 1.981) 9.240 2.904 ( -1.663 -8.569 0.170) 8.730 3.008 ( 2.036 9.299 2.194) 9.769 3.315 ( -3.704 -4.249 -2.815) 6.301 3.607 ( -4.131 0.106 -5.080) 6.548 3.833 ( 2.808 -6.579 -9.589) 11.963 4.331 ( 2.888 -6.820 -9.545) 12.081 4.466 ( 0.117 -4.031 1.816) 4.423 4.753 ( 3.916 -1.247 -3.191) 5.203 5.138 ( 4.018 0.803 -2.407) 4.752 5.556 ( 5.991 -3.092 4.817) 8.285 5.834 ( -1.211 1.515 -4.055) 4.495 6.289 ( -2.082 -3.751 1.957) 4.715 7.551 ( -7.084 -10.209 13.104) 18.059 8.215 ( 0.061 0.131 -0.032) 0.148 19.869 ( -0.771 -2.351 2.748) 3.698 19.951 ( -0.901 -3.901 -1.257) 4.196 20.007 ( 1.476 4.224 -0.367) 4.489 20.142 ( -0.107 3.044 -1.028) 3.214 24.801 ( -0.284 0.100 -0.090) 0.314 24.826 ( 0.243 0.134 0.161) 0.321 31.577 ( 1.797 1.041 -1.096) 2.348 31.730 ( -1.548 -1.201 1.130) 2.262 42.169 ( -0.272 0.016 8.015) 8.020 42.742 ( -9.768 -0.861 -12.771) 16.101 43.696 ( 11.279 -9.817 0.450) 14.960 44.223 ( -0.394 -7.876 3.514) 8.634 ======================= Grid point 339 (162/242) ======================= q-point: (-0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -5.465 15.841 -3.508) 17.120 1.876 ( 4.173 8.547 5.582) 11.028 2.054 ( -10.825 11.497 -8.664) 18.012 2.415 ( 5.095 9.840 -1.873) 11.238 2.876 ( 2.470 9.902 5.220) 11.463 3.021 ( -3.536 -9.547 -2.831) 10.567 3.294 ( 8.477 5.250 -4.136) 10.795 3.573 ( -3.587 0.953 0.257) 3.720 3.937 ( 0.367 -9.065 -4.702) 10.218 4.458 ( -1.210 -10.167 -3.334) 10.768 4.541 ( -2.018 -6.112 2.398) 6.869 4.811 ( 4.670 -3.663 -7.625) 9.662 5.161 ( 1.161 -1.111 -2.108) 2.651 5.669 ( 9.912 2.382 -0.557) 10.210 5.822 ( -0.896 -4.597 -2.617) 5.365 6.324 ( 0.857 -0.149 2.743) 2.878 7.621 ( -4.756 0.556 12.036) 12.953 8.203 ( -3.708 -1.265 -0.585) 3.961 19.890 ( -1.121 0.977 2.550) 2.952 19.921 ( 0.279 4.819 -0.647) 4.870 20.019 ( -0.122 -4.022 -0.277) 4.034 20.106 ( 0.709 1.022 -1.459) 1.917 24.796 ( -0.066 0.200 0.062) 0.220 24.830 ( 0.060 -0.285 0.062) 0.298 31.577 ( 0.938 -0.014 -1.925) 2.142 31.742 ( -0.851 -1.085 1.840) 2.300 42.137 ( -1.732 7.497 4.385) 8.856 42.564 ( -7.353 4.909 -2.712) 9.248 43.932 ( -4.755 -15.289 -7.125) 17.526 44.439 ( 8.969 -11.805 3.448) 15.222 ======================= Grid point 340 (163/242) ======================= q-point: (-0.08 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -1.094 12.591 -6.230) 14.091 1.703 ( -14.102 5.177 -8.965) 17.494 1.849 ( 4.458 7.480 5.624) 10.367 2.266 ( 3.203 12.340 -3.066) 13.112 2.844 ( 9.761 7.261 4.790) 13.075 3.056 ( -6.044 -4.128 -5.167) 8.959 3.336 ( 12.634 5.395 5.031) 14.630 3.495 ( 0.342 5.143 0.020) 5.155 4.054 ( -4.473 -9.778 -1.455) 10.850 4.526 ( -2.429 -1.894 3.899) 4.969 4.666 ( -2.911 -10.787 -0.191) 11.175 4.887 ( 0.741 -5.852 -7.331) 9.409 5.164 ( -2.107 -0.190 -0.258) 2.131 5.704 ( 11.873 6.552 -6.026) 14.839 5.905 ( -4.491 -7.613 1.287) 8.933 6.357 ( 7.740 1.504 1.111) 7.963 7.562 ( -4.736 5.311 7.266) 10.170 8.161 ( -7.707 -2.026 -1.099) 8.044 19.817 ( -0.718 4.600 -1.833) 5.004 19.869 ( 0.798 4.443 1.438) 4.738 20.086 ( -0.399 -3.315 0.565) 3.386 20.112 ( 0.649 -1.992 0.101) 2.098 24.794 ( 0.249 0.279 0.201) 0.424 24.838 ( -0.045 -0.746 0.055) 0.749 31.581 ( 0.242 -1.065 -2.266) 2.516 31.761 ( -0.270 -0.830 2.080) 2.256 41.943 ( -2.441 14.448 1.242) 14.706 42.389 ( -3.647 11.435 5.475) 13.192 44.002 ( -16.391 -15.737 -13.008) 26.183 44.789 ( 7.852 -16.685 1.491) 18.500 ======================= Grid point 345 (164/242) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 9.279 0.000 -3.081) 9.777 1.984 ( 9.270 0.000 -1.177) 9.345 2.060 ( 3.070 0.000 2.334) 3.857 2.337 ( -4.418 -0.000 19.554) 20.047 2.663 ( 0.191 0.000 2.132) 2.141 3.170 ( -6.167 -0.000 -11.446) 13.002 3.237 ( 1.705 0.000 -3.868) 4.227 3.471 ( 9.288 0.000 -11.620) 14.876 3.818 ( 3.748 0.000 11.011) 11.632 4.188 ( -3.103 -0.000 -6.847) 7.517 4.479 ( 1.112 0.000 -14.413) 14.456 4.804 ( -5.717 -0.000 -3.184) 6.544 4.993 ( 2.425 0.000 9.789) 10.085 5.083 ( -9.138 -0.000 1.272) 9.226 5.561 ( -2.515 -0.000 8.113) 8.493 6.522 ( -13.348 -0.000 1.710) 13.457 6.675 ( -11.982 -0.000 -2.655) 12.272 8.336 ( 5.423 0.000 4.836) 7.266 19.726 ( 0.108 0.000 0.151) 0.186 19.770 ( 0.453 0.000 -0.046) 0.455 20.024 ( -0.668 -0.000 -0.003) 0.668 20.390 ( 1.048 0.000 -1.003) 1.451 24.809 ( -0.044 -0.000 -0.406) 0.409 24.903 ( -1.058 -0.000 0.800) 1.326 31.701 ( -0.293 -0.000 -0.575) 0.646 31.784 ( -0.632 -0.000 -0.131) 0.645 41.365 ( 6.001 0.000 -5.473) 8.123 41.740 ( 4.574 0.000 5.321) 7.017 43.525 ( 9.786 0.000 -4.130) 10.622 44.506 ( -15.112 -0.000 -1.701) 15.207 ======================= Grid point 346 (165/242) ======================= q-point: ( 0.42 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 8.978 0.776 -0.287) 9.016 2.077 ( 5.327 -2.113 -2.203) 6.139 2.171 ( -1.239 -8.740 1.728) 8.995 2.400 ( -6.915 -7.550 13.818) 17.197 2.738 ( -0.487 -7.317 2.449) 7.731 3.032 ( -4.813 3.035 -5.633) 8.007 3.267 ( 2.617 -1.182 -3.428) 4.472 3.495 ( 5.024 0.685 -5.455) 7.447 3.963 ( 9.054 -0.712 7.072) 11.511 4.201 ( -1.860 -10.522 -7.035) 12.794 4.434 ( 0.823 -1.945 -13.045) 13.215 4.732 ( -4.460 0.133 -2.573) 5.150 4.959 ( -6.641 0.430 2.026) 6.957 5.110 ( -0.491 -3.720 7.585) 8.463 5.563 ( 0.493 3.336 7.120) 7.879 6.391 ( -9.452 0.788 -0.416) 9.494 6.552 ( -11.010 -2.754 -1.389) 11.433 8.379 ( 3.318 3.019 3.219) 5.521 19.734 ( -0.091 -0.950 -0.145) 0.965 19.769 ( 0.704 0.710 -0.031) 1.000 20.023 ( -0.315 -0.485 0.618) 0.846 20.387 ( 0.124 0.567 -1.419) 1.534 24.806 ( -0.146 -0.099 -0.497) 0.528 24.889 ( -0.746 0.741 0.633) 1.227 31.688 ( 0.019 0.864 -0.620) 1.064 31.769 ( -0.749 0.852 -0.246) 1.160 41.475 ( 4.148 -8.933 -4.116) 10.674 41.854 ( 3.748 -5.211 3.921) 7.521 43.619 ( 7.864 -0.342 -1.664) 8.045 44.326 ( -9.670 4.094 0.095) 10.501 ======================= Grid point 347 (166/242) ======================= q-point: ( 0.50 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 5.919 -0.610 3.496) 6.901 2.121 ( 0.858 -0.775 -4.434) 4.582 2.284 ( -0.736 -5.311 6.695) 8.577 2.569 ( -1.172 -12.583 1.919) 12.782 2.857 ( -5.184 -5.655 2.748) 8.149 2.920 ( -1.775 1.208 -0.013) 2.147 3.295 ( 6.769 2.046 -5.052) 8.691 3.514 ( 2.358 0.533 1.071) 2.644 4.049 ( 1.744 1.537 1.257) 2.643 4.342 ( 3.070 -5.701 -7.433) 9.858 4.470 ( -0.176 -8.364 -4.307) 9.410 4.661 ( -4.472 1.668 -0.615) 4.813 4.972 ( -5.932 -14.486 -1.875) 15.765 5.207 ( 2.778 -1.403 9.816) 10.298 5.538 ( 1.831 3.935 1.759) 4.683 6.273 ( -6.625 1.635 -3.191) 7.532 6.517 ( -9.500 -8.340 0.458) 12.650 8.362 ( 2.309 4.386 1.894) 5.306 19.748 ( 0.214 -0.806 -0.740) 1.115 19.771 ( 0.393 -0.534 -0.229) 0.702 20.040 ( 0.304 -1.090 1.362) 1.771 20.359 ( -0.720 1.636 -1.211) 2.159 24.804 ( -0.190 -0.176 -0.532) 0.592 24.872 ( -0.320 1.056 0.560) 1.237 31.671 ( 0.663 1.350 -0.251) 1.525 31.741 ( -1.022 1.118 -0.460) 1.583 41.673 ( 1.791 -12.449 -0.700) 12.596 42.025 ( 3.127 -10.508 -0.165) 10.965 43.671 ( 3.185 1.292 -1.759) 3.861 44.177 ( -3.673 5.468 2.803) 7.159 ======================= Grid point 348 (167/242) ======================= q-point: ( 0.58 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -3.289 0.615 -1.228) 3.564 2.159 ( 4.468 -0.757 4.595) 6.454 2.396 ( 2.946 -3.799 4.346) 6.481 2.729 ( -4.363 -8.168 -5.538) 10.790 2.788 ( 1.931 2.825 2.620) 4.310 3.004 ( -2.666 -7.874 2.514) 8.685 3.273 ( 7.190 7.935 -4.971) 11.806 3.560 ( 1.706 -1.747 3.068) 3.921 3.958 ( -7.579 3.980 -4.085) 9.486 4.388 ( 4.989 0.074 -6.576) 8.255 4.492 ( 1.603 5.780 -1.625) 6.214 4.626 ( -3.268 -4.443 0.034) 5.516 5.224 ( 1.756 -10.280 2.496) 10.724 5.321 ( 3.742 -2.505 11.971) 12.789 5.549 ( -1.361 -10.002 -5.368) 11.433 6.165 ( -4.047 1.145 -5.264) 6.738 6.623 ( -7.652 -16.918 2.884) 18.790 8.320 ( 1.390 4.270 1.199) 4.648 19.758 ( 0.572 -0.899 -1.479) 1.823 19.795 ( -0.226 -2.379 -0.054) 2.390 20.071 ( 0.766 -0.786 1.676) 2.004 20.310 ( -1.096 2.626 -0.653) 2.920 24.802 ( -0.185 -0.187 -0.469) 0.538 24.856 ( -0.024 1.061 0.489) 1.168 31.657 ( 1.340 1.958 0.198) 2.381 31.710 ( -1.433 0.417 -0.603) 1.609 41.874 ( -0.135 -10.334 4.115) 11.124 42.253 ( 1.761 -16.115 -6.496) 17.464 43.636 ( 1.548 4.212 -1.716) 4.805 44.105 ( -0.542 3.181 4.533) 5.564 ======================= Grid point 349 (168/242) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -5.283 2.446 -0.901) 5.891 2.193 ( -1.545 3.238 7.582) 8.388 2.521 ( 5.452 -3.161 3.428) 7.174 2.688 ( -3.608 -1.334 -1.467) 4.117 2.820 ( 0.488 2.826 -6.724) 7.310 3.103 ( -3.474 -6.314 3.207) 7.888 3.215 ( 9.411 5.256 -1.738) 10.918 3.580 ( -4.222 0.546 -1.869) 4.650 3.785 ( -3.062 2.905 -6.004) 7.339 4.370 ( 4.675 5.125 -7.497) 10.214 4.422 ( 0.822 1.647 -1.774) 2.556 4.688 ( 1.930 -3.584 -0.310) 4.082 5.258 ( 5.573 6.285 -1.800) 8.590 5.457 ( 2.703 -2.734 9.218) 9.988 5.748 ( -2.492 -13.292 -1.658) 13.625 6.122 ( -1.033 -3.438 -4.666) 5.887 6.913 ( -5.390 -24.834 7.668) 26.544 8.272 ( -0.380 3.297 0.849) 3.425 19.778 ( -0.079 -2.209 -1.202) 2.516 19.838 ( -0.009 -3.137 0.057) 3.137 20.090 ( 0.727 0.677 1.092) 1.476 20.249 ( -0.861 3.203 -0.109) 3.319 24.801 ( -0.139 -0.107 -0.278) 0.329 24.843 ( 0.067 0.853 0.319) 0.913 31.638 ( 1.354 2.455 -0.311) 2.821 31.696 ( -1.326 -0.758 0.162) 1.536 42.037 ( -1.055 -7.572 7.901) 10.994 42.461 ( -2.992 -14.965 -11.420) 19.061 43.605 ( 4.782 2.386 -0.699) 5.390 44.099 ( 0.255 -0.055 4.201) 4.209 ======================= Grid point 350 (169/242) ======================= q-point: (-0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -10.157 4.527 0.476) 11.130 2.122 ( -1.940 6.442 6.054) 9.051 2.497 ( -11.608 10.008 0.824) 15.349 2.677 ( 8.603 8.992 -5.647) 13.666 2.743 ( -0.763 -8.260 -1.210) 8.383 3.100 ( -8.086 0.380 2.671) 8.525 3.334 ( 14.958 -1.048 -1.137) 15.038 3.498 ( -4.613 -2.165 -0.356) 5.108 3.754 ( 4.495 0.296 -9.151) 10.200 4.317 ( 5.510 2.380 -9.275) 11.048 4.413 ( -1.445 -1.476 -1.037) 2.311 4.759 ( 3.371 -1.801 -1.840) 4.242 5.203 ( 3.915 4.401 -6.029) 8.428 5.559 ( -1.528 -4.027 6.764) 8.019 5.850 ( 6.112 -0.937 -3.615) 7.163 6.198 ( 0.109 -6.874 0.040) 6.875 7.295 ( -3.498 -21.318 12.496) 24.957 8.214 ( -3.199 2.026 0.519) 3.822 19.816 ( -0.777 -3.466 0.348) 3.569 19.892 ( 0.437 -3.238 0.168) 3.272 20.068 ( -0.301 2.751 -0.512) 2.815 20.193 ( 0.221 3.341 0.151) 3.352 24.799 ( -0.055 0.015 -0.005) 0.058 24.833 ( 0.003 0.505 0.065) 0.509 31.609 ( 0.642 1.930 -1.469) 2.509 31.704 ( -0.626 -1.178 1.376) 1.917 42.165 ( -1.867 -4.639 9.845) 11.042 42.523 ( -6.840 -7.531 -10.021) 14.280 43.647 ( 1.644 -2.657 -3.745) 4.877 44.181 ( 5.592 -4.659 3.328) 8.003 ======================= Grid point 351 (170/242) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -11.706 7.712 0.717) 14.036 1.977 ( -10.134 9.861 -0.568) 14.151 2.155 ( -3.708 13.329 0.600) 13.848 2.599 ( 2.399 7.896 -2.562) 8.641 2.856 ( 0.516 -5.942 -2.900) 6.632 3.028 ( 0.023 2.665 5.513) 6.123 3.507 ( 6.344 -1.170 -0.331) 6.459 3.530 ( 7.317 0.115 4.114) 8.395 3.764 ( 1.584 -4.200 -11.294) 12.153 4.350 ( 5.314 -4.133 -7.332) 9.954 4.425 ( -3.763 -4.243 -0.520) 5.694 4.796 ( 2.754 -0.547 -4.645) 5.428 5.154 ( 1.380 1.567 -6.869) 7.179 5.622 ( -5.022 -6.239 2.638) 8.433 5.923 ( 13.658 3.469 -4.235) 14.714 6.309 ( 1.549 -4.955 2.391) 5.716 7.575 ( -2.932 -9.235 14.134) 17.136 8.138 ( -6.524 0.809 0.101) 6.575 19.870 ( -1.357 -3.418 2.549) 4.475 19.948 ( 1.017 -2.588 0.406) 2.810 19.996 ( -1.330 3.628 -2.320) 4.508 20.150 ( 1.279 3.273 -0.251) 3.523 24.799 ( 0.077 0.073 0.242) 0.264 24.827 ( -0.115 0.110 -0.163) 0.228 31.579 ( -0.092 0.967 -2.509) 2.690 31.729 ( -0.016 -1.177 2.261) 2.549 42.205 ( -3.854 1.593 6.095) 7.385 42.503 ( -5.151 -3.052 0.506) 6.009 43.654 ( -5.923 -5.170 -8.164) 11.334 44.393 ( 8.991 -9.081 0.287) 12.782 ======================= Grid point 352 (171/242) ======================= q-point: (-0.08 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -6.035 9.638 3.447) 11.883 1.623 ( -9.630 11.578 -8.118) 17.109 2.035 ( 1.942 7.239 7.186) 10.383 2.470 ( 2.628 9.712 -2.205) 10.300 2.905 ( -1.275 -3.281 -5.130) 6.222 3.069 ( 7.547 2.755 7.158) 10.761 3.511 ( -0.897 1.328 2.740) 3.174 3.648 ( 14.308 5.929 2.046) 15.623 3.820 ( -3.374 -9.802 -8.051) 13.126 4.460 ( -5.933 -7.274 1.169) 9.459 4.474 ( 3.323 -7.071 -3.577) 8.593 4.799 ( 0.883 -1.399 -7.332) 7.516 5.116 ( -0.847 -0.331 -5.375) 5.452 5.681 ( -6.277 -8.505 -0.336) 10.576 5.978 ( 13.220 7.462 -3.778) 15.643 6.422 ( 5.557 -3.628 1.739) 6.861 7.643 ( -4.189 3.815 12.150) 13.407 8.043 ( -9.058 -0.199 -0.405) 9.069 19.863 ( -2.212 3.179 -0.370) 3.891 19.933 ( -0.332 2.041 0.216) 2.079 20.015 ( 0.309 -4.346 0.385) 4.374 20.126 ( 2.248 1.460 0.245) 2.692 24.802 ( 0.303 0.073 0.406) 0.512 24.826 ( -0.228 -0.374 -0.269) 0.514 31.556 ( -0.468 -0.335 -2.985) 3.040 31.760 ( 0.263 -0.835 2.558) 2.704 42.100 ( -3.765 7.888 3.077) 9.266 42.495 ( -3.811 2.385 9.409) 10.428 43.611 ( -8.522 -6.367 -11.908) 15.968 44.628 ( 3.595 -11.485 -3.216) 12.457 ======================= Grid point 358 (172/242) ======================= q-point: ( 0.42 0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 2.575 0.000 -10.553) 10.862 2.077 ( 2.064 0.000 6.484) 6.805 2.091 ( 1.427 0.000 -1.456) 2.039 2.325 ( -7.043 -0.000 15.532) 17.054 2.684 ( -0.355 -0.000 0.752) 0.832 3.001 ( -3.590 -0.000 0.388) 3.611 3.298 ( 4.264 0.000 2.406) 4.896 3.549 ( 8.698 0.000 -6.673) 10.963 4.041 ( -1.753 -0.000 -9.071) 9.239 4.071 ( 4.470 0.000 1.802) 4.819 4.374 ( 2.382 0.000 -11.257) 11.506 4.680 ( -1.996 -0.000 -3.851) 4.338 4.851 ( -10.620 -0.000 0.049) 10.620 5.178 ( 4.768 0.000 11.593) 12.536 5.640 ( 0.459 0.000 9.020) 9.031 6.301 ( -6.990 -0.000 -2.679) 7.486 6.409 ( -8.895 -0.000 -0.735) 8.925 8.438 ( 1.075 0.000 2.064) 2.327 19.723 ( -0.175 -0.000 -0.246) 0.302 19.784 ( 0.537 0.000 0.439) 0.694 20.015 ( -0.478 -0.000 0.647) 0.805 20.385 ( 0.089 0.000 -1.942) 1.944 24.801 ( -0.159 -0.000 -0.590) 0.611 24.890 ( -0.611 -0.000 0.618) 0.869 31.688 ( -0.168 -0.000 -0.794) 0.812 31.769 ( -0.517 -0.000 -0.193) 0.551 41.425 ( 3.642 0.000 -4.758) 5.992 41.873 ( 2.541 0.000 4.562) 5.222 43.690 ( 5.907 0.000 -1.537) 6.104 44.278 ( -5.337 -0.000 1.864) 5.653 ======================= Grid point 359 (173/242) ======================= q-point: ( 0.50 0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -4.802 -1.566 4.835) 6.992 2.119 ( -2.613 -10.818 -1.076) 11.181 2.161 ( 8.061 -2.755 -2.655) 8.923 2.385 ( -4.030 -6.349 10.745) 13.115 2.724 ( -1.657 -5.713 0.608) 5.979 2.963 ( 0.172 3.020 2.877) 4.175 3.370 ( 5.364 -0.299 1.879) 5.691 3.601 ( 8.485 2.729 -3.988) 9.765 4.047 ( -5.660 1.473 -3.660) 6.900 4.116 ( 0.737 -15.637 -6.607) 16.992 4.384 ( 5.106 -1.262 -7.483) 9.147 4.663 ( 0.797 -0.644 -2.657) 2.848 4.740 ( -9.185 -1.599 -1.578) 9.456 5.297 ( 5.191 -0.460 11.232) 12.382 5.652 ( 0.467 4.242 6.695) 7.940 6.202 ( -6.236 0.363 -4.356) 7.615 6.352 ( -4.612 -2.528 0.155) 5.261 8.434 ( 0.056 2.180 1.331) 2.555 19.728 ( -0.141 -0.921 -0.258) 0.967 19.783 ( 0.395 0.921 -0.034) 1.002 20.026 ( -0.091 -1.372 1.017) 1.710 20.367 ( -0.301 0.951 -1.716) 1.985 24.797 ( -0.075 -0.095 -0.605) 0.616 24.883 ( -0.366 0.535 0.603) 0.886 31.681 ( -0.008 0.203 -0.687) 0.716 31.753 ( -0.397 1.170 -0.171) 1.248 41.506 ( 1.701 -8.677 -3.453) 9.492 41.947 ( 1.253 -4.086 3.066) 5.260 43.726 ( 3.781 1.448 -2.122) 4.571 44.225 ( -2.187 2.781 3.279) 4.824 ======================= Grid point 360 (174/242) ======================= q-point: (-0.42 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -6.892 0.136 4.808) 8.404 2.192 ( -0.756 -2.208 3.486) 4.195 2.340 ( 2.885 -8.268 -0.165) 8.759 2.512 ( -3.685 -10.015 1.779) 10.819 2.817 ( -1.658 -6.797 2.263) 7.353 2.948 ( 4.750 3.352 1.941) 6.129 3.411 ( 4.547 3.365 -4.315) 7.115 3.636 ( 6.826 2.262 2.678) 7.673 3.889 ( -10.423 3.273 -4.160) 11.690 4.393 ( 4.637 -7.579 -3.881) 9.695 4.447 ( 0.860 -10.887 -3.884) 11.591 4.599 ( -1.281 5.692 0.487) 5.855 4.841 ( -0.666 -21.765 -3.717) 22.090 5.414 ( 4.302 -0.660 9.708) 10.639 5.583 ( 0.453 7.356 1.334) 7.489 6.118 ( -2.944 0.726 -4.603) 5.512 6.395 ( -1.114 -7.376 0.865) 7.510 8.390 ( -0.756 3.472 1.166) 3.740 19.745 ( 0.195 -1.129 -0.176) 1.159 19.771 ( 0.082 0.087 -0.957) 0.964 20.062 ( 0.358 -1.919 1.445) 2.428 20.331 ( -0.804 1.891 -0.994) 2.283 24.796 ( 0.061 -0.140 -0.504) 0.526 24.872 ( -0.204 0.838 0.535) 1.015 31.676 ( 0.058 0.095 -0.277) 0.299 31.723 ( -0.225 1.994 -0.278) 2.026 41.685 ( -0.513 -13.521 -0.434) 13.537 42.055 ( -0.223 -7.874 -0.421) 7.889 43.714 ( 3.368 3.259 -2.634) 5.376 44.176 ( -0.663 3.561 3.807) 5.254 ======================= Grid point 361 (175/242) ======================= q-point: (-0.33 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -10.435 1.492 2.806) 10.908 2.212 ( -3.815 -0.733 4.040) 5.604 2.469 ( -1.024 -6.046 3.487) 7.054 2.590 ( -3.315 -4.687 -2.563) 6.287 2.896 ( 3.717 -0.003 0.956) 3.838 3.004 ( 3.560 -3.382 -0.428) 4.929 3.298 ( -3.891 5.854 -7.920) 10.589 3.687 ( 4.350 7.438 7.005) 11.105 3.752 ( -0.159 -1.859 -3.314) 3.803 4.408 ( 0.778 1.018 -5.575) 5.721 4.494 ( 0.650 5.058 -2.131) 5.527 4.642 ( 4.875 -5.995 -0.915) 7.781 5.280 ( -1.620 -25.906 5.001) 26.434 5.449 ( 1.010 7.870 -2.541) 8.331 5.532 ( 3.219 -6.184 2.474) 7.397 6.077 ( 1.769 0.310 -4.274) 4.636 6.594 ( 2.480 -15.952 3.838) 16.594 8.319 ( -2.337 4.118 1.214) 4.889 19.751 ( 0.127 -0.406 -1.320) 1.387 19.795 ( 0.386 -2.656 0.125) 2.687 20.096 ( 0.079 -0.860 0.861) 1.220 20.284 ( -0.933 2.349 0.060) 2.528 24.798 ( 0.177 -0.113 -0.287) 0.356 24.858 ( -0.184 0.931 0.366) 1.017 31.678 ( -0.404 -0.295 0.043) 0.503 31.684 ( 0.331 2.395 -0.296) 2.436 41.894 ( -2.261 -12.973 4.889) 14.046 42.175 ( -2.600 -10.635 -5.519) 12.261 43.687 ( 3.863 3.418 -3.127) 6.032 44.147 ( 1.242 1.967 3.215) 3.969 ======================= Grid point 362 (176/242) ======================= q-point: (-0.25 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -13.156 3.053 2.260) 13.693 2.157 ( -7.738 2.009 3.930) 8.908 2.500 ( -9.016 2.502 7.829) 12.200 2.595 ( -2.335 -4.873 -4.120) 6.795 2.892 ( 9.655 7.720 -7.793) 14.613 3.031 ( -4.164 -0.117 2.794) 5.016 3.239 ( -0.521 -8.541 -5.334) 10.083 3.643 ( 4.623 5.365 4.097) 8.182 3.823 ( 8.766 1.369 -0.863) 8.914 4.350 ( -1.693 1.757 -5.676) 6.178 4.423 ( 3.471 4.375 -4.855) 7.400 4.759 ( 4.742 -2.491 -1.797) 5.650 5.301 ( 2.100 7.639 -7.755) 11.086 5.470 ( -6.115 -5.183 4.580) 9.232 5.826 ( 6.686 -14.921 2.037) 16.477 6.119 ( 5.371 -2.782 -2.775) 6.655 6.981 ( 3.438 -23.061 9.125) 25.038 8.219 ( -4.903 4.136 1.113) 6.511 19.763 ( -0.344 -2.073 -0.726) 2.223 19.852 ( 1.032 -3.181 0.342) 3.362 20.087 ( -1.372 1.385 -0.674) 2.063 20.245 ( 0.104 2.313 1.177) 2.597 24.800 ( 0.210 -0.023 -0.004) 0.212 24.843 ( -0.229 0.807 0.103) 0.845 31.635 ( -0.672 2.268 -1.723) 2.926 31.696 ( 0.568 -0.692 1.571) 1.808 42.078 ( -3.433 -9.096 10.043) 13.978 42.265 ( -4.723 -10.423 -7.862) 13.884 43.651 ( 1.999 3.434 -4.132) 5.732 44.198 ( 5.195 -2.905 0.782) 6.003 ======================= Grid point 363 (177/242) ======================= q-point: (-0.17 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -11.899 4.786 5.257) 13.862 2.000 ( -11.370 6.640 2.361) 13.377 2.327 ( -3.460 10.523 6.766) 12.980 2.610 ( -4.839 -2.768 -1.786) 5.854 2.863 ( 6.478 2.661 -6.022) 9.236 3.054 ( 2.547 -1.902 4.581) 5.576 3.370 ( -1.224 -9.295 -2.022) 9.591 3.655 ( 4.953 1.418 -1.556) 5.382 3.875 ( 10.865 5.387 -1.970) 12.286 4.291 ( -2.960 -1.772 -3.348) 4.807 4.384 ( 3.957 2.028 -7.990) 9.144 4.807 ( 3.278 0.483 -3.347) 4.710 5.179 ( 1.442 4.739 -9.247) 10.490 5.482 ( -6.066 -4.185 1.102) 7.452 6.072 ( 9.530 -4.068 0.602) 10.380 6.249 ( 6.264 -5.639 -0.559) 8.447 7.410 ( 1.318 -18.403 13.228) 22.702 8.091 ( -7.691 3.442 0.829) 8.467 19.801 ( -1.214 -3.709 0.571) 3.944 19.914 ( 1.074 -2.868 -0.636) 3.128 20.026 ( -1.809 2.820 -0.774) 3.438 20.219 ( 1.289 2.924 1.231) 3.424 24.803 ( 0.119 0.045 0.250) 0.280 24.830 ( -0.186 0.496 -0.162) 0.554 31.581 ( -1.058 1.809 -2.731) 3.442 31.728 ( 0.846 -1.027 2.405) 2.749 42.165 ( -5.520 -2.967 5.429) 8.292 42.358 ( -3.531 -9.710 2.017) 10.527 43.583 ( 0.631 3.812 -4.882) 6.226 44.342 ( 5.596 -7.075 -3.938) 9.843 ======================= Grid point 364 (178/242) ======================= q-point: (-0.08 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -3.496 4.806 8.314) 10.220 1.758 ( -4.452 11.816 4.709) 13.476 2.203 ( 0.833 8.257 7.563) 11.228 2.569 ( -1.290 1.883 -1.252) 2.604 2.875 ( 3.396 0.316 -4.167) 5.385 3.172 ( 5.017 -2.793 6.730) 8.847 3.462 ( -3.530 -6.470 0.846) 7.419 3.674 ( 4.045 -0.471 -10.150) 10.937 3.885 ( 8.314 5.738 -1.655) 10.237 4.299 ( -5.402 -4.245 -0.289) 6.876 4.392 ( 4.332 -4.311 -8.850) 10.755 4.791 ( 1.686 2.223 -4.797) 5.550 5.097 ( 1.013 1.982 -7.735) 8.049 5.486 ( -6.702 -5.590 -1.396) 8.838 6.182 ( 6.974 2.362 0.164) 7.365 6.416 ( 8.587 -5.167 -0.872) 10.059 7.669 ( -1.937 -5.241 14.006) 15.080 7.954 ( -8.905 2.048 0.591) 9.157 19.836 ( -3.046 -2.062 -0.147) 3.681 19.932 ( -0.772 -0.411 -1.445) 1.688 19.994 ( 0.877 0.063 0.421) 0.975 20.198 ( 2.527 2.820 1.652) 4.131 24.805 ( -0.048 -0.147 0.331) 0.365 24.822 ( 0.007 0.218 -0.253) 0.334 31.533 ( -1.065 0.629 -3.248) 3.476 31.766 ( 0.781 -0.804 2.671) 2.897 42.134 ( -4.977 1.163 3.141) 5.999 42.473 ( -3.526 -5.064 8.739) 10.697 43.515 ( 2.329 3.381 -5.069) 6.523 44.469 ( 0.122 -7.955 -8.399) 11.569 ======================= Grid point 371 (179/242) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -5.885 -0.000 -3.181) 6.690 2.059 ( -6.714 -0.000 5.733) 8.829 2.223 ( 5.917 0.000 -0.449) 5.934 2.363 ( -2.683 -0.000 11.015) 11.337 2.662 ( -1.436 -0.000 -0.287) 1.464 3.040 ( 6.232 0.000 3.266) 7.036 3.433 ( 3.442 0.000 3.479) 4.893 3.701 ( 7.878 0.000 -7.778) 11.070 3.950 ( -9.468 -0.000 -2.342) 9.753 3.957 ( 2.291 0.000 -8.677) 8.975 4.405 ( 5.247 0.000 -6.538) 8.383 4.596 ( -3.269 -0.000 -4.883) 5.876 4.706 ( 0.177 0.000 1.862) 1.870 5.402 ( 4.135 0.000 9.524) 10.383 5.720 ( -0.949 -0.000 7.392) 7.453 6.117 ( -4.192 -0.000 -3.646) 5.556 6.312 ( -0.341 -0.000 -0.196) 0.393 8.451 ( -0.903 -0.000 1.182) 1.487 19.718 ( 0.050 0.000 -0.321) 0.325 19.796 ( -0.023 -0.000 0.504) 0.504 20.017 ( 0.265 0.000 0.567) 0.626 20.363 ( -0.472 -0.000 -1.669) 1.735 24.794 ( 0.150 0.000 -0.603) 0.621 24.887 ( -0.330 -0.000 0.627) 0.708 31.679 ( 0.162 0.000 -0.776) 0.793 31.758 ( -0.380 -0.000 -0.009) 0.381 41.428 ( 0.120 0.000 -3.523) 3.525 41.940 ( -0.127 -0.000 3.348) 3.350 43.770 ( 3.960 0.000 -2.976) 4.954 44.244 ( -1.424 -0.000 3.546) 3.821 ======================= Grid point 372 (180/242) ======================= q-point: (-0.42 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -9.596 -8.773 4.017) 13.609 2.009 ( -8.868 -7.291 2.667) 11.786 2.299 ( 5.363 -2.601 -1.595) 6.170 2.407 ( -2.869 -3.007 8.997) 9.911 2.691 ( -1.521 -5.764 0.601) 5.991 3.107 ( 8.436 4.659 2.014) 9.845 3.466 ( 1.755 1.553 -2.841) 3.683 3.666 ( -4.813 -1.089 -9.597) 10.791 3.866 ( 0.111 3.177 4.698) 5.672 4.102 ( 3.588 -17.770 -6.135) 19.139 4.421 ( 2.938 0.037 -6.918) 7.516 4.573 ( -3.057 -3.022 -0.985) 4.410 4.741 ( 7.339 0.281 -0.309) 7.351 5.473 ( 0.847 -0.501 5.686) 5.771 5.697 ( -1.610 4.960 4.869) 7.134 6.092 ( 1.473 -0.232 -1.282) 1.966 6.339 ( 2.940 -2.405 -0.137) 3.801 8.428 ( -1.441 2.084 1.471) 2.930 19.727 ( 0.325 -1.102 -0.090) 1.152 19.783 ( -0.245 1.336 -0.229) 1.378 20.042 ( 0.775 -1.749 0.727) 2.047 20.339 ( -1.045 1.004 -1.045) 1.787 24.794 ( 0.380 -0.061 -0.510) 0.639 24.882 ( -0.291 0.471 0.610) 0.824 31.677 ( 0.319 0.152 -0.592) 0.690 31.745 ( -0.344 1.109 0.076) 1.164 41.477 ( -1.797 -9.071 -2.285) 9.526 41.969 ( -1.502 -3.012 2.099) 3.967 43.784 ( 4.368 1.939 -4.059) 6.270 44.231 ( -0.796 2.059 3.394) 4.049 ======================= Grid point 373 (181/242) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -13.186 0.732 5.397) 14.267 2.098 ( -8.213 -7.776 0.989) 11.353 2.390 ( -0.435 -3.862 1.261) 4.086 2.484 ( -1.607 -4.996 5.108) 7.324 2.812 ( -0.509 -9.274 3.345) 9.872 3.107 ( 5.181 4.442 -0.095) 6.826 3.313 ( -4.599 8.667 -11.946) 15.459 3.665 ( -1.331 -5.353 -2.497) 6.055 3.877 ( 4.907 3.239 6.530) 8.787 4.391 ( -0.715 0.159 -6.453) 6.495 4.451 ( 3.236 -15.639 -2.869) 16.226 4.602 ( 1.030 -4.342 1.058) 4.586 4.916 ( 8.525 -13.268 -0.475) 15.778 5.491 ( -2.724 -0.959 0.293) 2.903 5.592 ( -0.216 7.267 0.481) 7.286 6.131 ( 6.980 1.275 0.620) 7.123 6.480 ( 7.036 -8.294 1.401) 10.966 8.364 ( -2.548 4.232 1.769) 5.247 19.752 ( 0.041 0.458 -0.237) 0.517 19.764 ( 0.559 -1.550 -0.616) 1.759 20.080 ( 0.265 -1.437 0.237) 1.481 20.302 ( -1.314 1.450 0.359) 1.990 24.798 ( 0.499 -0.062 -0.331) 0.602 24.871 ( -0.296 0.842 0.517) 1.032 31.675 ( 0.065 0.259 -0.415) 0.493 31.719 ( -0.054 1.782 0.221) 1.797 41.640 ( -3.160 -15.255 0.269) 15.581 42.015 ( -2.964 -5.053 0.084) 5.859 43.773 ( 5.168 3.261 -4.860) 7.808 44.205 ( 0.460 2.291 2.198) 3.208 ======================= Grid point 374 (182/242) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -11.281 2.306 7.938) 13.985 2.063 ( -10.460 -1.560 -0.130) 10.577 2.422 ( -6.115 -3.926 3.719) 8.163 2.538 ( -1.417 -0.489 4.103) 4.369 2.974 ( 1.823 -6.351 4.980) 8.274 3.069 ( -2.513 7.952 -10.086) 13.087 3.125 ( 4.445 -1.852 -3.773) 6.117 3.707 ( 1.040 -0.824 -0.867) 1.584 3.926 ( 3.073 0.194 3.705) 4.818 4.324 ( -2.137 1.679 -5.898) 6.494 4.515 ( 3.486 3.571 -2.935) 5.789 4.769 ( 6.257 -4.971 -0.968) 8.050 5.281 ( -0.629 -16.287 4.539) 16.919 5.395 ( -1.688 6.823 -5.392) 8.859 5.606 ( 2.110 -12.368 -2.783) 12.852 6.220 ( 12.459 1.710 0.904) 12.609 6.773 ( 8.048 -15.939 4.556) 18.428 8.251 ( -4.639 6.048 1.589) 7.786 19.738 ( -0.290 -0.151 -1.027) 1.078 19.817 ( 1.231 -3.055 -0.042) 3.294 20.079 ( -1.593 0.528 -0.953) 1.930 20.279 ( -0.211 1.068 2.120) 2.383 24.803 ( 0.431 -0.004 -0.102) 0.443 24.855 ( -0.304 1.016 0.324) 1.109 31.649 ( -1.127 1.914 -1.457) 2.656 31.710 ( 1.032 0.247 1.415) 1.769 41.872 ( -3.414 -16.642 4.684) 17.623 42.057 ( -4.058 -5.924 -2.102) 7.482 43.750 ( 5.931 4.904 -4.321) 8.827 44.207 ( 2.102 -0.737 -1.359) 2.610 ======================= Grid point 375 (183/242) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -4.359 4.429 12.884) 14.304 1.935 ( -11.727 0.772 1.058) 11.799 2.424 ( -6.895 -2.168 7.534) 10.440 2.517 ( 0.106 2.942 2.105) 3.619 2.928 ( 1.894 2.959 -8.925) 9.592 3.098 ( 4.068 -1.564 6.585) 7.897 3.221 ( 2.102 -7.158 -6.241) 9.726 3.716 ( 2.032 0.961 -0.227) 2.259 3.960 ( -0.687 -1.468 -0.280) 1.645 4.243 ( -2.364 1.638 -3.679) 4.670 4.465 ( 5.336 5.720 -6.952) 10.466 4.858 ( 5.504 0.738 -2.313) 6.016 5.244 ( 1.148 6.798 -9.015) 11.348 5.376 ( -3.307 -2.325 1.122) 4.196 5.917 ( -0.414 -18.864 1.644) 18.940 6.364 ( 16.175 1.165 -0.727) 16.233 7.184 ( 4.894 -20.741 9.223) 23.220 8.090 ( -6.831 6.462 1.014) 9.458 19.744 ( -0.871 -1.887 -0.472) 2.131 19.877 ( 1.110 -2.840 -1.351) 3.335 20.033 ( -2.219 1.395 -0.225) 2.631 20.276 ( 0.928 1.523 2.394) 2.985 24.806 ( 0.131 0.117 0.125) 0.215 24.838 ( -0.157 0.847 0.060) 0.863 31.587 ( -1.446 2.480 -2.381) 3.730 31.738 ( 1.231 -0.740 2.187) 2.616 42.063 ( -5.412 -5.212 5.605) 9.374 42.145 ( -1.206 -14.316 0.869) 14.393 43.710 ( 7.192 7.234 -1.998) 10.394 44.256 ( 1.517 -4.845 -7.302) 8.893 ======================= Grid point 376 (184/242) ======================= q-point: (-0.08 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -1.061 5.994 3.904) 7.232 1.865 ( -2.228 0.212 14.389) 14.562 2.403 ( 0.851 6.297 11.135) 12.820 2.509 ( -0.872 -2.105 0.039) 2.279 2.898 ( 2.396 0.067 -6.155) 6.605 3.207 ( 4.031 -2.281 6.630) 8.088 3.293 ( -2.501 -6.595 -8.955) 11.399 3.728 ( 4.596 1.569 -3.032) 5.726 3.946 ( -3.395 -0.511 -3.060) 4.599 4.209 ( -1.897 -1.641 0.930) 2.675 4.394 ( 5.777 4.615 -11.624) 13.776 4.855 ( 3.483 3.935 -3.461) 6.293 5.128 ( 2.607 4.493 -9.406) 10.745 5.360 ( -4.070 -1.033 0.116) 4.200 6.137 ( -3.180 -10.189 3.057) 11.103 6.518 ( 14.587 1.053 -3.050) 14.939 7.561 ( -0.262 -14.820 12.400) 19.325 7.924 ( -6.385 4.801 0.961) 8.046 19.766 ( -1.683 -2.538 -0.238) 3.055 19.902 ( -0.374 -1.184 -2.195) 2.522 20.008 ( -0.146 0.266 0.793) 0.849 20.271 ( 1.416 2.136 2.101) 3.313 24.804 ( -0.247 0.158 0.188) 0.349 24.828 ( 0.154 0.420 -0.072) 0.453 31.524 ( -1.154 1.790 -2.878) 3.580 31.776 ( 0.925 -0.833 2.393) 2.698 42.079 ( -4.653 -2.456 3.346) 6.235 42.367 ( 0.534 -10.281 6.359) 12.100 43.676 ( 9.183 8.204 0.920) 12.348 44.290 ( -2.919 -5.861 -12.637) 14.232 ======================= Grid point 384 (185/242) ======================= q-point: (-0.42 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -7.760 -0.000 1.351) 7.877 1.873 ( -14.047 -0.000 6.347) 15.415 2.320 ( 3.898 0.000 -2.449) 4.604 2.405 ( -2.591 -0.000 10.082) 10.410 2.631 ( -0.934 -0.000 0.523) 1.071 3.272 ( 8.216 0.000 1.963) 8.447 3.462 ( -1.785 -0.000 -1.813) 2.544 3.494 ( -8.800 -0.000 -14.948) 17.346 3.948 ( 2.425 0.000 5.451) 5.966 3.970 ( 5.698 0.000 -7.261) 9.230 4.416 ( 2.199 0.000 -8.282) 8.569 4.532 ( 0.068 0.000 1.058) 1.061 4.848 ( 10.275 0.000 0.764) 10.303 5.474 ( -2.626 -0.000 0.863) 2.764 5.737 ( -2.982 -0.000 4.935) 5.766 6.145 ( 7.570 0.000 2.427) 7.949 6.365 ( 5.331 0.000 0.026) 5.331 8.438 ( -1.338 -0.000 2.021) 2.424 19.722 ( 0.520 0.000 -0.173) 0.548 19.790 ( -0.875 -0.000 0.246) 0.908 20.043 ( 1.597 0.000 0.069) 1.598 20.328 ( -1.519 -0.000 -0.534) 1.610 24.797 ( 0.636 0.000 -0.480) 0.797 24.886 ( -0.268 -0.000 0.716) 0.765 31.681 ( 0.573 0.000 -0.666) 0.878 31.751 ( -0.417 -0.000 0.399) 0.577 41.360 ( -3.546 -0.000 -2.052) 4.097 41.934 ( -2.638 -0.000 1.957) 3.285 43.827 ( 5.036 0.000 -6.240) 8.018 44.256 ( -0.341 -0.000 3.251) 3.269 ======================= Grid point 385 (186/242) ======================= q-point: (-0.33 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -12.608 -2.415 6.770) 14.513 1.809 ( -10.664 -13.164 3.813) 17.365 2.352 ( 0.077 -0.875 -0.502) 1.012 2.451 ( -0.684 -2.577 9.797) 10.154 2.685 ( 0.311 -6.898 1.697) 7.111 3.192 ( -6.553 5.781 -2.239) 9.021 3.333 ( -0.632 5.661 -12.874) 14.078 3.536 ( 1.076 -8.292 -3.251) 8.971 3.968 ( 0.768 1.547 4.895) 5.190 4.156 ( 5.729 -16.567 -4.343) 18.060 4.377 ( 0.802 1.361 -8.803) 8.943 4.576 ( 1.874 -2.314 2.532) 3.908 4.982 ( 13.021 -0.089 0.258) 13.024 5.432 ( -4.064 -0.548 -2.936) 5.043 5.677 ( -3.160 5.077 2.297) 6.406 6.271 ( 12.438 0.750 3.717) 13.003 6.474 ( 7.719 -4.264 1.057) 8.882 8.411 ( -1.526 3.073 2.269) 4.113 19.739 ( 0.669 -1.408 -0.001) 1.559 19.768 ( -0.778 1.192 -0.329) 1.461 20.068 ( 1.006 -0.780 -0.704) 1.454 20.304 ( -1.596 0.578 0.975) 1.958 24.803 ( 0.698 -0.008 -0.404) 0.807 24.883 ( -0.180 0.569 0.800) 0.998 31.681 ( 0.371 0.419 -0.625) 0.839 31.741 ( -0.193 0.939 0.717) 1.197 41.387 ( -4.556 -10.169 -0.722) 11.166 41.924 ( -3.690 -2.325 1.002) 4.475 43.838 ( 5.288 1.043 -9.122) 10.595 44.260 ( 1.353 2.174 3.213) 4.108 ======================= Grid point 386 (187/242) ======================= q-point: (-0.25 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -8.985 -1.621 11.892) 14.992 1.876 ( -11.028 -6.738 -0.687) 12.942 2.330 ( -5.936 -0.330 3.633) 6.968 2.555 ( 1.909 -2.292 10.365) 10.786 2.852 ( -0.048 -10.311 1.009) 10.360 3.053 ( -3.520 1.079 -4.621) 5.908 3.185 ( 0.329 4.431 -7.711) 8.899 3.631 ( -2.379 -6.770 -5.693) 9.160 3.963 ( -0.776 2.292 5.869) 6.349 4.303 ( -0.052 1.682 -7.716) 7.897 4.507 ( 4.379 -14.156 -3.097) 15.138 4.676 ( 3.658 -7.419 3.179) 8.861 5.162 ( 11.321 -5.669 1.288) 12.726 5.376 ( -3.694 -0.579 -5.785) 6.888 5.559 ( -1.158 5.070 -2.045) 5.589 6.433 ( 17.007 2.202 2.802) 17.376 6.681 ( 7.593 -9.773 2.534) 12.633 8.319 ( -2.903 6.760 1.492) 7.507 19.737 ( -0.638 1.041 -0.654) 1.385 19.783 ( 1.079 -2.660 -0.488) 2.912 20.064 ( -1.246 0.524 -1.478) 2.003 20.296 ( -0.516 0.088 2.867) 2.914 24.808 ( 0.521 0.036 -0.265) 0.585 24.872 ( -0.113 1.110 0.742) 1.340 31.661 ( -0.662 1.717 -0.972) 2.081 31.734 ( 0.669 0.576 1.292) 1.565 41.570 ( -3.162 -17.866 1.833) 18.236 41.933 ( -4.287 -4.002 0.319) 5.873 43.834 ( 5.323 0.206 -11.754) 12.905 44.252 ( 3.489 4.085 2.603) 5.969 ======================= Grid point 387 (188/242) ======================= q-point: (-0.17 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -2.590 -1.365 15.375) 15.651 1.781 ( -12.421 -1.851 -2.233) 12.755 2.297 ( -7.046 -3.157 3.530) 8.489 2.657 ( 6.076 2.597 13.811) 15.311 2.880 ( -3.669 -1.921 -10.642) 11.419 3.089 ( 0.316 -5.696 -4.449) 7.234 3.167 ( 2.797 -1.535 3.163) 4.492 3.649 ( -6.159 -6.834 -7.365) 11.784 3.938 ( -1.230 3.041 5.822) 6.682 4.240 ( 0.379 2.116 -5.186) 5.614 4.588 ( 5.240 3.873 -2.752) 7.073 4.876 ( 4.114 -5.472 -1.746) 7.066 5.268 ( -3.694 2.899 -2.459) 5.301 5.414 ( 8.401 -0.026 0.111) 8.402 5.580 ( -1.236 -17.211 -3.219) 17.553 6.599 ( 18.110 3.620 0.371) 18.472 6.981 ( 5.319 -16.350 5.454) 18.038 8.150 ( -4.851 8.911 -0.150) 10.147 19.718 ( -0.501 -0.062 -0.668) 0.837 19.836 ( 0.987 -2.868 -1.751) 3.502 20.023 ( -2.180 0.884 -0.162) 2.358 20.309 ( 0.128 0.186 3.043) 3.051 24.810 ( 0.180 0.148 -0.044) 0.237 24.854 ( -0.081 1.275 0.456) 1.356 31.605 ( -1.173 2.906 -1.600) 3.518 31.752 ( 1.017 -0.437 1.812) 2.123 41.877 ( 0.458 -19.089 6.139) 20.057 41.960 ( -3.309 -5.330 -0.193) 6.277 43.840 ( 5.194 -1.168 -13.015) 14.061 44.234 ( 4.360 5.156 0.874) 6.808 ======================= Grid point 388 (189/242) ======================= q-point: (-0.08 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -6.449 3.316 -5.412) 9.048 1.860 ( -3.337 -7.234 16.350) 18.188 2.311 ( -6.321 -6.092 3.121) 9.317 2.744 ( 11.975 7.549 8.500) 16.512 2.848 ( -1.104 -2.956 -1.316) 3.418 3.093 ( -6.702 -6.278 -14.686) 17.321 3.263 ( 2.899 -0.621 7.846) 8.387 3.674 ( -3.229 -8.048 -7.619) 11.543 3.902 ( -1.092 2.889 4.248) 5.253 4.206 ( 1.039 1.003 -0.296) 1.474 4.536 ( 7.156 8.194 -6.270) 12.556 4.916 ( 2.208 1.607 -4.742) 5.472 5.160 ( -1.134 3.360 -7.095) 7.932 5.428 ( 6.837 7.017 1.180) 9.867 5.869 ( -5.269 -18.599 2.124) 19.448 6.704 ( 12.002 4.845 -2.422) 13.167 7.346 ( 1.439 -18.714 9.492) 21.033 7.964 ( -3.247 6.826 -0.847) 7.606 19.724 ( -0.306 -1.330 -0.016) 1.365 19.866 ( 0.036 -1.662 -2.697) 3.168 20.006 ( -0.575 -0.402 1.238) 1.423 20.313 ( -0.262 1.019 2.040) 2.296 24.807 ( -0.126 0.363 0.224) 0.445 24.838 ( -0.005 0.807 0.040) 0.808 31.537 ( -0.778 2.833 -2.047) 3.581 31.783 ( 0.671 -0.836 1.934) 2.212 41.994 ( -3.760 -4.449 3.470) 6.781 42.239 ( 7.194 -14.940 6.290) 17.735 43.852 ( 3.778 -1.753 -13.132) 13.777 44.189 ( 3.417 6.290 -0.675) 7.190 ======================= Grid point 397 (190/242) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -10.981 -0.000 4.718) 11.952 1.637 ( -13.266 -0.000 10.617) 16.991 2.347 ( 0.678 0.000 -3.387) 3.454 2.492 ( 1.507 0.000 14.849) 14.926 2.645 ( 1.674 0.000 0.918) 1.909 3.080 ( -12.266 -0.000 -9.421) 15.467 3.346 ( -4.346 -0.000 -5.858) 7.294 3.414 ( -1.361 -0.000 -8.334) 8.444 4.032 ( 1.439 0.000 6.673) 6.826 4.072 ( 8.349 0.000 -4.273) 9.379 4.358 ( 2.274 0.000 -11.623) 11.844 4.600 ( 2.977 0.000 4.612) 5.490 5.137 ( 13.565 0.000 -0.191) 13.567 5.361 ( -3.939 -0.000 -5.236) 6.552 5.695 ( -3.448 -0.000 2.757) 4.415 6.459 ( 15.650 0.000 2.834) 15.905 6.534 ( 8.228 0.000 2.970) 8.748 8.438 ( -0.509 -0.000 1.978) 2.043 19.734 ( 0.445 0.000 -0.079) 0.452 19.767 ( -1.075 -0.000 0.039) 1.076 20.069 ( 0.840 0.000 -1.749) 1.940 20.298 ( -1.454 -0.000 2.058) 2.520 24.809 ( 0.674 0.000 -0.455) 0.813 24.893 ( 0.143 0.000 1.133) 1.142 31.687 ( 0.432 0.000 -0.520) 0.676 31.751 ( -0.147 -0.000 1.092) 1.102 41.236 ( -6.090 -0.000 -0.309) 6.098 41.863 ( -4.464 -0.000 0.315) 4.475 43.823 ( 1.852 0.000 -15.662) 15.772 44.344 ( 6.215 0.000 5.793) 8.496 ======================= Grid point 398 (191/242) ======================= q-point: (-0.25 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -13.014 -7.216 7.149) 16.509 1.607 ( -12.408 -9.751 8.856) 18.096 2.309 ( -3.665 1.875 -0.229) 4.123 2.611 ( 1.753 -1.861 14.198) 14.426 2.733 ( 3.358 -5.095 1.946) 6.405 2.940 ( -6.105 -4.760 -7.186) 10.562 3.186 ( -6.079 4.382 -6.751) 10.087 3.394 ( -9.738 -8.009 -9.138) 15.572 4.061 ( 3.479 3.135 6.995) 8.418 4.261 ( 5.539 -9.929 -3.015) 11.763 4.330 ( 5.272 -2.021 -10.631) 12.037 4.687 ( 4.445 -2.334 5.186) 7.218 5.256 ( 7.726 1.122 -5.316) 9.445 5.310 ( 0.575 -0.679 -2.923) 3.055 5.634 ( -0.556 4.880 1.351) 5.094 6.621 ( 7.059 -4.047 2.497) 8.511 6.714 ( 18.382 0.066 3.359) 18.686 8.399 ( -1.076 5.068 -0.006) 5.181 19.740 ( -0.992 0.230 0.375) 1.085 19.757 ( 0.643 -0.961 -0.925) 1.481 20.056 ( -0.752 0.792 -1.920) 2.209 20.299 ( -0.868 -0.393 3.060) 3.205 24.813 ( 0.459 0.042 -0.405) 0.614 24.895 ( 0.386 0.936 1.271) 1.625 31.678 ( -0.056 1.370 -0.361) 1.418 31.753 ( 0.236 0.317 1.335) 1.393 41.278 ( -4.674 -13.642 1.442) 14.493 41.829 ( -4.803 -2.522 -0.369) 5.437 43.743 ( -2.301 -2.313 -21.134) 21.384 44.443 ( 11.353 4.680 7.483) 14.381 ======================= Grid point 399 (192/242) ======================= q-point: (-0.17 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -13.798 -8.561 5.386) 17.108 1.644 ( -10.323 -5.994 5.492) 13.140 2.226 ( -6.200 0.804 2.232) 6.639 2.669 ( -8.907 -7.866 -3.646) 12.430 2.859 ( 1.167 -1.531 9.305) 9.502 2.961 ( 0.587 0.296 -5.795) 5.833 3.137 ( -2.282 -8.782 5.599) 10.662 3.387 ( -4.213 -8.107 -7.614) 11.893 4.067 ( 2.873 5.721 8.170) 10.379 4.267 ( 3.979 2.401 -8.165) 9.395 4.578 ( 4.321 -12.618 -3.262) 13.731 4.825 ( 5.500 -4.653 5.064) 8.806 5.251 ( 0.439 -2.617 -10.491) 10.822 5.324 ( -0.531 -0.412 0.945) 1.160 5.607 ( 8.520 3.824 0.095) 9.339 6.795 ( 5.326 -6.254 4.415) 9.326 6.931 ( 17.785 0.297 1.067) 17.819 8.246 ( -3.456 9.556 -3.210) 10.656 19.720 ( -0.313 0.859 -0.159) 0.928 19.792 ( 0.512 -2.616 -1.823) 3.229 20.017 ( -1.452 1.171 -0.126) 1.869 20.315 ( -0.985 -0.690 2.903) 3.143 24.814 ( 0.199 0.109 -0.233) 0.326 24.882 ( 0.168 1.773 0.996) 2.041 31.637 ( -0.570 3.005 -0.623) 3.121 31.764 ( 0.502 -0.214 1.538) 1.632 41.590 ( 3.643 -23.852 5.411) 24.728 41.836 ( -4.015 -5.111 -0.259) 6.505 43.652 ( -5.740 -6.695 -24.687) 26.215 44.513 ( 14.096 9.960 8.381) 19.187 ======================= Grid point 400 (193/242) ======================= q-point: (-0.08 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -9.834 -2.334 -4.363) 11.008 1.694 ( -10.833 -11.142 8.378) 17.655 2.190 ( -5.036 -3.122 1.629) 6.145 2.666 ( -6.347 -6.236 -9.200) 12.799 2.752 ( -19.441 -8.137 -11.510) 24.013 3.105 ( 13.547 1.500 16.314) 21.258 3.281 ( -0.100 -4.978 5.144) 7.159 3.484 ( 3.996 -6.661 -3.324) 8.449 4.024 ( 2.179 7.532 6.012) 9.881 4.246 ( 3.259 1.645 -2.750) 4.571 4.692 ( 5.794 2.035 -1.711) 6.375 4.923 ( 2.616 0.158 -4.067) 4.839 5.188 ( 0.043 4.978 -3.245) 5.942 5.486 ( -5.050 -21.015 -0.038) 21.613 5.657 ( 11.160 6.119 0.962) 12.763 6.893 ( 4.216 5.624 0.093) 7.030 7.159 ( 6.728 -11.649 4.403) 14.154 8.045 ( -1.180 7.562 -4.081) 8.674 19.715 ( 0.670 -0.214 0.286) 0.759 19.821 ( -0.074 -2.258 -3.002) 3.757 20.003 ( -0.160 -0.158 1.817) 1.830 20.317 ( -1.969 -0.000 1.684) 2.591 24.812 ( 0.019 0.215 0.034) 0.218 24.857 ( -0.242 1.674 0.447) 1.749 31.574 ( -0.298 3.470 -1.094) 3.651 31.784 ( 0.232 -0.694 1.556) 1.719 41.882 ( -3.362 -6.606 2.323) 7.768 42.126 ( 16.297 -21.200 8.384) 28.024 43.582 ( -8.548 -10.453 -26.498) 29.740 44.523 ( 13.689 14.250 8.813) 21.636 ======================= Grid point 410 (194/242) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -14.478 -0.000 7.464) 16.289 1.425 ( -16.960 -0.000 12.338) 20.973 2.265 ( -4.423 -0.000 -5.434) 7.006 2.608 ( -17.630 -0.000 1.666) 17.709 2.707 ( 2.796 0.000 -1.094) 3.002 2.843 ( -4.806 -0.000 6.984) 8.478 3.108 ( -2.003 -0.000 -6.553) 6.852 3.195 ( -2.824 -0.000 -4.839) 5.603 4.172 ( 3.604 0.000 6.574) 7.497 4.231 ( 7.081 0.000 -1.965) 7.349 4.346 ( 7.694 0.000 -11.738) 14.035 4.750 ( 5.369 0.000 6.528) 8.452 5.243 ( -0.158 -0.000 -8.042) 8.044 5.372 ( 6.376 0.000 -3.006) 7.050 5.700 ( 3.651 0.000 2.592) 4.477 6.648 ( 2.241 0.000 6.996) 7.346 6.974 ( 22.669 0.000 0.761) 22.682 8.427 ( -0.856 -0.000 -3.811) 3.905 19.730 ( -0.813 -0.000 0.450) 0.929 19.754 ( 0.111 0.000 -0.527) 0.538 20.047 ( -0.693 -0.000 -1.626) 1.768 20.298 ( -1.291 -0.000 2.681) 2.976 24.816 ( 0.309 0.000 -0.447) 0.544 24.919 ( 0.988 0.000 1.610) 1.889 31.693 ( 0.261 0.000 0.300) 0.398 31.764 ( 0.066 0.000 1.381) 1.383 41.093 ( -6.792 -0.000 1.619) 6.982 41.746 ( -5.161 -0.000 -1.533) 5.384 43.539 ( -8.538 -0.000 -25.555) 26.944 44.686 ( 16.432 0.000 8.968) 18.720 ======================= Grid point 411 (195/242) ======================= q-point: (-0.17 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -16.795 -7.894 6.432) 19.640 1.389 ( -15.451 -11.108 9.678) 21.349 2.159 ( -8.255 0.878 -4.036) 9.231 2.371 ( -22.522 -5.405 -2.362) 23.282 2.662 ( -18.679 -0.533 -7.458) 20.119 2.849 ( -1.652 -12.993 -1.967) 13.244 3.183 ( 6.042 -1.879 7.526) 9.832 3.301 ( 12.968 -4.430 5.422) 14.737 4.219 ( 5.044 2.575 5.728) 8.055 4.326 ( 4.184 1.742 -3.790) 5.908 4.403 ( 5.984 -8.554 -6.812) 12.465 4.872 ( 6.145 -2.530 6.632) 9.389 5.196 ( 2.584 1.360 -11.595) 11.957 5.371 ( 0.190 3.448 -1.201) 3.656 5.759 ( 9.098 2.240 1.470) 9.484 6.758 ( 1.826 -4.927 11.310) 12.471 7.201 ( 20.430 3.135 -2.208) 20.787 8.316 ( -3.381 6.983 -8.656) 11.625 19.727 ( -0.471 -0.012 0.627) 0.784 19.755 ( 0.122 -0.832 -1.456) 1.681 20.025 ( -0.552 1.035 0.064) 1.174 20.297 ( -2.106 -0.778 1.975) 2.990 24.816 ( 0.142 0.053 -0.397) 0.425 24.923 ( 0.805 1.908 1.335) 2.464 31.678 ( 0.031 2.448 0.368) 2.476 31.771 ( 0.054 -0.105 1.383) 1.388 41.250 ( 1.244 -25.314 4.001) 25.659 41.709 ( -4.662 -3.738 -2.009) 6.304 43.325 ( -12.596 -4.356 -24.378) 27.784 44.878 ( 17.719 6.572 9.327) 21.074 ======================= Grid point 412 (196/242) ======================= q-point: (-0.08 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -13.879 -10.859 2.869) 17.854 1.396 ( -16.081 -7.966 0.757) 17.962 2.074 ( -6.901 -4.412 -1.829) 8.392 2.277 ( -23.413 -13.847 3.273) 27.398 2.455 ( -11.734 -2.790 -11.446) 16.627 3.026 ( 0.012 -13.111 -4.562) 13.882 3.356 ( 4.247 -4.022 9.697) 11.325 3.543 ( 12.791 -1.671 7.073) 14.712 4.229 ( 3.757 9.663 5.059) 11.536 4.301 ( 4.740 1.201 -1.081) 5.008 4.628 ( 2.837 -13.849 -2.675) 14.388 4.988 ( 5.254 1.937 1.728) 5.860 5.184 ( 1.214 -7.174 -9.233) 11.755 5.289 ( 0.437 6.126 1.427) 6.306 5.847 ( 10.430 1.776 0.534) 10.593 6.916 ( -1.052 -3.713 11.211) 11.856 7.248 ( 7.539 8.137 -6.559) 12.887 8.123 ( 0.755 6.067 -7.372) 9.577 19.729 ( 1.109 0.193 0.412) 1.199 19.767 ( -0.621 -2.047 -2.533) 3.315 20.018 ( 0.674 0.319 2.114) 2.242 20.287 ( -3.335 -0.712 1.014) 3.558 24.814 ( -0.004 0.070 -0.310) 0.318 24.891 ( -0.396 2.761 0.770) 2.893 31.626 ( -0.051 3.697 -0.277) 3.708 31.782 ( -0.180 -0.448 1.341) 1.425 41.737 ( -3.185 -7.393 -0.172) 8.051 41.960 ( 24.692 -37.367 3.487) 44.924 43.164 ( -13.925 -7.795 -18.182) 24.192 44.955 ( 14.931 13.153 8.849) 21.777 ======================= Grid point 423 (197/242) ======================= q-point: (-0.17 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -16.328 -0.000 11.711) 20.094 1.110 ( -20.165 -0.000 9.537) 22.306 1.983 ( -34.843 -0.000 7.292) 35.598 2.040 ( -7.747 -0.000 -10.436) 12.997 2.433 ( -14.646 -0.000 -7.911) 16.646 2.720 ( 0.226 0.000 -1.749) 1.763 3.170 ( 2.535 0.000 -0.589) 2.603 3.519 ( 14.288 0.000 10.305) 17.616 4.310 ( 1.701 0.000 -2.419) 2.957 4.335 ( 7.753 0.000 1.893) 7.981 4.426 ( 4.727 0.000 -1.771) 5.048 4.950 ( 5.722 0.000 6.034) 8.315 5.213 ( 7.655 0.000 -12.417) 14.586 5.392 ( 0.479 0.000 -3.362) 3.396 5.892 ( 8.900 0.000 2.308) 9.194 6.820 ( 2.850 0.000 18.775) 18.990 7.423 ( 15.409 0.000 -6.427) 16.696 8.275 ( -3.752 -0.000 -13.973) 14.468 19.715 ( -0.861 -0.000 0.099) 0.866 19.753 ( 0.285 0.000 -0.142) 0.318 20.033 ( 0.167 0.000 0.802) 0.820 20.267 ( -3.082 -0.000 0.757) 3.174 24.815 ( 0.052 0.000 -0.502) 0.505 24.961 ( 1.237 0.000 0.514) 1.339 31.706 ( 0.301 0.000 0.680) 0.743 31.776 ( -0.182 -0.000 1.190) 1.203 40.975 ( -5.647 -0.000 3.435) 6.609 41.610 ( -4.507 -0.000 -3.312) 5.593 43.056 ( -11.448 -0.000 -8.341) 14.164 45.180 ( 17.114 0.000 9.089) 19.378 ======================= Grid point 424 (198/242) ======================= q-point: (-0.08 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -18.173 -6.784 8.127) 21.032 1.100 ( -16.349 -9.724 7.908) 20.601 1.781 ( -24.571 -13.068 20.564) 34.603 1.940 ( -6.968 -4.836 -10.989) 13.882 2.245 ( -11.171 -0.520 -8.993) 14.351 2.817 ( 0.952 -10.851 -2.118) 11.096 3.295 ( 3.025 -9.525 2.386) 10.275 3.660 ( 4.644 -0.569 -0.587) 4.715 4.332 ( 0.621 0.467 -2.566) 2.681 4.424 ( 1.859 -8.027 -4.100) 9.203 4.487 ( 10.639 4.771 9.798) 15.230 5.054 ( 3.784 -2.365 5.077) 6.759 5.189 ( 6.161 7.181 -11.041) 14.541 5.392 ( 5.832 0.791 -2.786) 6.512 5.974 ( 7.439 2.084 0.947) 7.783 6.937 ( -4.497 0.591 13.481) 14.224 7.396 ( 0.771 8.559 -9.364) 12.709 8.185 ( 5.882 2.207 -7.008) 9.412 19.714 ( -0.862 -1.222 -1.222) 1.932 19.755 ( 0.865 0.337 0.301) 0.975 20.044 ( 1.210 0.163 2.055) 2.391 20.236 ( -3.897 -0.684 0.165) 3.960 24.812 ( -0.069 0.049 -0.588) 0.594 24.936 ( -0.795 3.179 -0.400) 3.302 31.680 ( -0.178 3.161 -0.120) 3.168 31.780 ( -0.419 -0.196 1.161) 1.250 41.406 ( 8.139 -50.143 -10.288) 51.831 41.589 ( -2.902 -5.760 -2.563) 6.941 43.049 ( 8.205 0.013 21.589) 23.095 45.328 ( 12.181 8.291 7.947) 16.742 ======================= Grid point 436 (199/242) ======================= q-point: (-0.08 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -14.661 -0.000 15.993) 21.696 0.853 ( -6.680 -0.000 20.988) 22.025 1.531 ( -18.358 -0.000 31.958) 36.856 1.777 ( -3.901 -0.000 -12.514) 13.108 2.088 ( -8.710 -0.000 -8.513) 12.180 2.728 ( 1.085 0.000 1.660) 1.983 3.243 ( 3.399 0.000 -0.373) 3.419 3.609 ( -6.113 -0.000 -12.734) 14.125 4.280 ( -1.153 -0.000 -3.423) 3.612 4.396 ( 1.881 0.000 -3.396) 3.882 4.720 ( 13.869 0.000 8.089) 16.056 5.088 ( 1.813 0.000 3.946) 4.343 5.352 ( 11.538 0.000 -13.212) 17.541 5.370 ( 0.511 0.000 -3.287) 3.326 6.090 ( 5.744 0.000 2.685) 6.341 6.799 ( -29.446 -0.000 -2.944) 29.593 7.505 ( 11.601 0.000 3.332) 12.070 8.282 ( 11.654 0.000 -1.576) 11.760 19.690 ( -0.963 -0.000 -0.701) 1.191 19.768 ( 0.654 0.000 0.705) 0.961 20.069 ( 1.522 0.000 1.848) 2.394 20.189 ( -3.037 -0.000 -0.368) 3.059 24.807 ( -0.191 -0.000 -0.862) 0.883 24.940 ( -2.659 -0.000 -2.317) 3.527 31.701 ( -0.708 -0.000 -1.077) 1.289 31.779 ( -0.378 -0.000 1.025) 1.093 40.915 ( -3.087 -0.000 4.729) 5.648 41.487 ( -2.695 -0.000 -4.607) 5.338 43.571 ( 52.397 0.000 45.801) 69.593 45.536 ( 5.392 0.000 6.398) 8.367 ======================= Grid point 437 (200/242) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -0.000 -0.000 0.000) 0.000 1.458 ( -0.000 -0.000 0.000) 0.000 1.523 ( -0.000 -0.000 0.000) 0.000 1.633 ( -0.000 -0.000 -0.000) 0.000 2.550 ( -0.000 -0.000 -0.000) 0.000 2.676 ( -0.000 -0.000 0.000) 0.000 2.826 ( -0.000 -0.000 0.000) 0.000 3.278 ( -0.000 -0.000 0.000) 0.000 4.180 ( -0.000 -0.000 0.000) 0.000 4.334 ( -0.000 -0.000 0.000) 0.000 5.094 ( -0.000 -0.000 -0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.201 ( -0.000 -0.000 0.000) 0.000 5.267 ( -0.000 -0.000 -0.000) 0.000 6.212 ( -0.000 -0.000 0.000) 0.000 6.393 ( -0.000 -0.000 0.000) 0.000 7.750 ( 0.000 0.000 0.000) 0.000 8.454 ( -0.000 -0.000 0.000) 0.000 19.661 ( -0.000 -0.000 0.000) 0.000 19.794 ( -0.000 -0.000 0.000) 0.000 20.121 ( -0.000 -0.000 0.000) 0.000 20.143 ( -0.000 -0.000 0.000) 0.000 24.778 ( -0.000 -0.000 0.000) 0.000 24.882 ( -0.000 -0.000 0.000) 0.000 31.672 ( -0.000 -0.000 0.000) 0.000 31.791 ( 0.000 0.000 0.000) 0.000 40.998 ( -0.000 -0.000 0.000) 0.000 41.340 ( -0.000 -0.000 0.000) 0.000 45.278 ( -0.000 -0.000 0.000) 0.000 45.534 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 439 (201/242) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 6.575 -16.244 -12.389) 21.462 1.376 ( -3.148 6.790 7.481) 10.582 1.490 ( 0.840 -4.185 -14.836) 15.438 1.727 ( 3.857 -1.906 13.127) 13.814 2.383 ( -3.470 -5.211 -25.834) 26.582 2.852 ( 1.908 -4.589 3.088) 5.851 2.991 ( 11.650 -7.321 18.305) 22.900 3.381 ( -0.266 -9.543 -0.128) 9.548 4.263 ( 1.033 -6.397 0.969) 6.552 4.366 ( -0.762 -7.623 0.731) 7.696 4.879 ( -11.493 6.842 2.358) 13.582 5.095 ( 2.118 5.673 -0.161) 6.057 5.229 ( -0.867 2.557 -2.005) 3.362 5.385 ( -3.504 -12.999 4.881) 14.320 6.059 ( 2.335 13.566 -0.947) 13.798 6.494 ( 11.095 0.887 -0.093) 11.131 7.663 ( -5.982 5.065 -2.075) 8.108 8.387 ( -7.445 2.665 -0.411) 7.918 19.679 ( 0.280 -1.757 0.083) 1.781 19.760 ( 0.160 2.903 0.294) 2.923 20.115 ( -0.528 0.126 -0.598) 0.808 20.177 ( 1.051 -2.366 -0.093) 2.591 24.782 ( 0.355 -0.102 0.452) 0.584 24.883 ( 0.774 0.687 0.282) 1.073 31.659 ( 0.083 1.735 0.180) 1.747 31.792 ( 0.305 0.051 -0.149) 0.343 41.126 ( 2.291 -14.364 1.832) 14.660 41.492 ( 0.712 -16.988 0.831) 17.023 44.845 ( -38.637 10.705 -13.945) 42.448 45.560 ( 10.597 11.534 -3.370) 16.022 ======================= Grid point 440 (202/242) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -0.155 6.840 -7.247) 9.966 1.363 ( -0.670 -2.077 -14.419) 14.584 1.750 ( 6.283 -17.802 5.643) 19.703 1.885 ( 6.463 -3.037 11.192) 13.276 2.432 ( 6.090 -10.826 -18.294) 22.113 2.966 ( -2.604 -8.886 1.146) 9.331 3.327 ( 13.200 -5.624 14.541) 20.428 3.481 ( 0.562 -2.222 1.710) 2.860 4.273 ( -1.759 3.693 -0.670) 4.145 4.616 ( -3.900 -11.438 2.626) 12.367 4.703 ( -5.392 -4.607 -1.556) 7.261 4.989 ( -3.535 6.322 0.376) 7.253 5.174 ( -0.617 1.420 0.791) 1.739 5.445 ( -8.289 -2.114 -2.809) 9.004 5.968 ( 1.248 0.352 2.316) 2.654 6.566 ( 17.843 11.164 2.811) 21.235 7.489 ( -8.087 2.564 -4.348) 9.533 8.227 ( -11.293 2.800 -0.359) 11.640 19.704 ( 0.300 -1.073 -0.282) 1.149 19.757 ( 0.204 -1.781 1.224) 2.171 20.100 ( -0.905 0.262 -0.922) 1.318 20.214 ( 2.030 -0.024 -0.228) 2.043 24.792 ( 0.484 -0.178 0.555) 0.758 24.876 ( 0.721 1.457 0.195) 1.637 31.623 ( 0.006 2.810 -0.174) 2.816 31.795 ( 0.428 0.006 -0.022) 0.429 41.472 ( 3.570 -18.499 8.620) 20.719 41.864 ( 0.566 -27.052 4.394) 27.412 44.115 ( -36.707 11.850 -23.574) 45.206 45.362 ( 0.413 17.474 -4.282) 17.995 ======================= Grid point 441 (203/242) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 7.828 -6.786 8.930) 13.677 1.333 ( 2.204 -1.239 -5.700) 6.236 2.067 ( 6.745 -4.602 6.801) 10.626 2.082 ( 5.734 -11.636 5.191) 13.972 2.606 ( 7.366 -9.458 -13.213) 17.841 3.087 ( -1.287 -7.921 4.541) 9.221 3.507 ( 1.241 -0.291 0.880) 1.549 3.594 ( 9.216 -3.938 8.334) 13.035 4.094 ( -6.839 11.016 -2.297) 13.168 4.555 ( -3.519 1.677 -5.755) 6.950 4.747 ( -5.607 2.615 3.542) 7.129 4.867 ( -5.196 4.544 -0.129) 6.904 5.163 ( -6.176 1.631 3.546) 7.306 5.481 ( 8.600 -13.022 -8.214) 17.635 5.934 ( -8.877 3.130 -0.115) 9.413 6.611 ( 16.343 9.808 5.477) 19.831 7.424 ( -6.016 -8.386 -3.458) 10.885 8.066 ( -10.693 1.492 0.658) 10.817 19.734 ( -0.324 -2.394 0.713) 2.519 19.801 ( -0.513 -3.524 -1.006) 3.700 20.077 ( -1.353 0.408 -1.164) 1.831 20.229 ( 3.591 2.130 1.372) 4.395 24.803 ( 0.440 -0.229 0.417) 0.648 24.856 ( 0.276 1.694 -0.081) 1.719 31.572 ( -0.284 3.019 -0.694) 3.111 31.801 ( 0.426 -0.099 0.240) 0.499 41.798 ( 1.988 -13.859 5.184) 14.930 42.347 ( -2.686 -25.786 15.883) 30.404 43.505 ( -21.145 7.037 -22.846) 31.915 45.021 ( -5.603 17.796 -5.668) 19.499 ======================= Grid point 442 (204/242) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.905 -2.148 0.809) 2.467 1.625 ( 16.043 -14.106 17.919) 27.883 2.227 ( 5.539 -2.481 6.831) 9.138 2.320 ( 4.571 -9.159 1.796) 10.392 2.734 ( 4.229 -4.700 -5.698) 8.511 3.243 ( 5.079 -5.899 4.421) 8.952 3.524 ( -1.412 -1.575 -1.378) 2.525 3.693 ( -3.767 2.984 -8.806) 10.032 3.838 ( -1.937 7.263 6.483) 9.926 4.415 ( -6.401 3.541 -6.539) 9.812 4.666 ( -5.223 11.645 -2.590) 13.023 4.708 ( -0.113 1.455 6.963) 7.114 5.065 ( -2.265 3.852 0.053) 4.469 5.688 ( -10.303 8.932 -1.676) 13.739 5.821 ( 10.803 -14.418 -6.125) 19.029 6.641 ( 7.122 6.972 4.088) 10.772 7.574 ( -2.889 -16.188 -1.161) 16.484 7.947 ( -7.907 0.882 1.326) 8.066 19.761 ( -2.061 -2.213 -0.332) 3.042 19.851 ( 0.195 -4.044 -1.854) 4.453 20.043 ( -1.541 1.269 -0.701) 2.116 20.250 ( 4.136 2.013 2.730) 5.349 24.812 ( 0.252 -0.190 0.056) 0.321 24.832 ( 0.042 1.350 -0.003) 1.350 31.518 ( -0.528 2.578 -0.900) 2.781 31.810 ( 0.390 -0.216 0.390) 0.592 42.006 ( 0.964 -8.622 0.795) 8.712 42.640 ( -15.898 -12.411 12.143) 23.543 43.286 ( 4.574 -3.207 -6.890) 8.870 44.642 ( -8.696 15.047 -8.301) 19.260 ======================= Grid point 443 (205/242) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.805 -2.094 1.966) 2.983 2.115 ( 14.225 -13.937 11.340) 22.917 2.332 ( 3.514 0.900 9.754) 10.407 2.493 ( 2.742 -6.392 0.463) 6.971 2.824 ( 3.834 -3.028 2.190) 5.354 3.322 ( -8.964 7.995 -14.259) 18.644 3.427 ( 6.019 -1.906 -3.369) 7.156 3.554 ( -5.231 -0.312 5.172) 7.363 3.847 ( 0.357 -0.132 2.329) 2.360 4.279 ( -5.585 3.855 1.999) 7.075 4.406 ( -2.453 9.619 -7.473) 12.425 4.734 ( 1.330 0.573 4.466) 4.695 5.007 ( 0.082 1.910 -0.203) 1.922 5.437 ( -6.610 7.024 -2.734) 10.025 6.110 ( 7.728 -10.381 -3.628) 13.441 6.599 ( 0.798 5.664 3.037) 6.476 7.773 ( -1.376 -10.203 -1.414) 10.392 7.879 ( -3.981 -0.651 1.886) 4.453 19.759 ( -1.725 -1.037 -0.939) 2.221 19.908 ( 0.280 -3.871 -2.050) 4.390 20.000 ( -0.962 2.330 0.909) 2.680 20.279 ( 2.638 0.860 1.921) 3.375 24.809 ( -0.113 0.459 -0.388) 0.612 24.823 ( 0.193 0.165 0.365) 0.445 31.475 ( -0.435 1.530 -0.627) 1.710 31.819 ( 0.260 -0.200 0.295) 0.441 42.104 ( 0.297 -3.332 -0.967) 3.482 42.609 ( -11.513 -4.003 2.024) 12.356 43.517 ( 11.474 -7.881 9.209) 16.691 44.279 ( -9.909 11.160 -10.591) 18.301 ======================= Grid point 444 (206/242) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -0.000 0.000 0.000) 0.000 2.339 ( -0.000 0.000 0.000) 0.000 2.410 ( 0.000 -0.000 -0.000) 0.000 2.561 ( -0.000 0.000 0.000) 0.000 2.966 ( -0.000 0.000 -0.000) 0.000 3.021 ( 0.000 -0.000 0.000) 0.000 3.515 ( -0.000 0.000 0.000) 0.000 3.522 ( 0.000 -0.000 -0.000) 0.000 3.853 ( -0.000 0.000 0.000) 0.000 4.197 ( -0.000 0.000 0.000) 0.000 4.305 ( -0.000 0.000 0.000) 0.000 4.750 ( -0.000 0.000 -0.000) 0.000 4.995 ( -0.000 0.000 0.000) 0.000 5.330 ( -0.000 0.000 0.000) 0.000 6.243 ( -0.000 0.000 0.000) 0.000 6.550 ( -0.000 -0.000 0.000) 0.000 7.816 ( -0.000 0.000 0.000) 0.000 7.897 ( -0.000 0.000 0.000) 0.000 19.754 ( -0.000 0.000 0.000) 0.000 19.953 ( -0.000 0.000 0.000) 0.000 19.960 ( -0.000 0.000 0.000) 0.000 20.293 ( -0.000 0.000 0.000) 0.000 24.803 ( -0.000 0.000 0.000) 0.000 24.825 ( -0.000 -0.000 -0.000) 0.000 31.458 ( -0.000 0.000 0.000) 0.000 31.823 ( -0.000 0.000 0.000) 0.000 42.126 ( -0.000 0.000 0.000) 0.000 42.580 ( -0.000 0.000 0.000) 0.000 43.741 ( 0.000 -0.000 0.000) 0.000 44.037 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 452 (207/242) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 13.584 0.000 -8.910) 16.245 1.333 ( -1.015 -0.000 -22.874) 22.896 1.513 ( 1.896 0.000 8.698) 8.902 1.845 ( 6.757 0.000 14.699) 16.178 2.194 ( 7.449 0.000 -30.290) 31.192 2.780 ( -2.068 -0.000 -2.884) 3.549 3.226 ( 13.666 0.000 22.564) 26.380 3.262 ( -0.743 -0.000 -1.921) 2.060 4.216 ( 1.616 0.000 2.330) 2.835 4.334 ( -0.943 -0.000 1.600) 1.858 4.802 ( -11.683 -0.000 2.023) 11.856 5.176 ( -0.677 -0.000 -4.300) 4.353 5.183 ( -7.909 -0.000 2.118) 8.187 5.270 ( -2.146 -0.000 5.830) 6.212 6.133 ( -6.318 -0.000 -1.007) 6.397 6.725 ( 24.642 0.000 3.403) 24.875 7.589 ( -11.505 -0.000 -3.785) 12.112 8.280 ( -13.750 -0.000 -0.857) 13.777 19.674 ( 0.781 0.000 0.686) 1.039 19.784 ( -0.486 -0.000 -0.701) 0.853 20.101 ( -1.002 -0.000 -1.322) 1.659 20.179 ( 2.849 0.000 0.641) 2.921 24.790 ( 0.466 0.000 0.738) 0.872 24.906 ( 1.454 0.000 1.147) 1.852 31.680 ( 0.568 0.000 0.763) 0.951 31.795 ( 0.422 0.000 -0.412) 0.589 41.015 ( 3.209 0.000 -3.782) 4.960 41.389 ( 2.581 0.000 3.725) 4.532 44.328 ( -44.752 -0.000 -27.613) 52.585 45.674 ( -1.773 -0.000 -6.977) 7.199 ======================= Grid point 453 (208/242) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 6.732 4.248 -17.037) 18.805 1.325 ( 10.859 -4.434 -12.550) 17.178 1.658 ( 7.067 -8.522 14.282) 18.071 2.007 ( 8.098 -0.606 13.854) 16.059 2.276 ( 15.607 -8.625 -24.085) 29.968 2.806 ( -1.918 -7.100 -0.928) 7.413 3.350 ( -1.637 -11.222 -2.318) 11.575 3.472 ( 8.573 -2.864 14.812) 17.352 4.295 ( -1.423 0.752 1.182) 1.996 4.345 ( -1.766 -10.356 2.790) 10.869 4.666 ( -7.019 3.159 -3.073) 8.288 5.014 ( -9.872 5.083 2.530) 11.388 5.156 ( -3.127 -0.737 -4.089) 5.200 5.308 ( -3.974 -3.655 4.702) 7.160 5.995 ( -7.090 4.677 -0.899) 8.542 6.968 ( 19.564 6.754 6.344) 21.648 7.393 ( -12.610 2.988 -5.335) 14.014 8.108 ( -13.050 0.820 0.563) 13.087 19.696 ( 0.931 -0.911 0.523) 1.404 19.760 ( -0.417 1.288 -0.148) 1.362 20.082 ( -1.287 -0.048 -1.587) 2.044 20.234 ( 3.671 -1.210 0.470) 3.894 24.798 ( 0.397 -0.061 0.630) 0.747 24.915 ( 0.968 1.573 1.233) 2.220 31.672 ( 0.668 2.479 0.526) 2.621 31.797 ( 0.323 -0.058 -0.428) 0.540 41.242 ( 3.769 -22.131 4.504) 22.897 41.537 ( 2.022 -12.499 2.073) 12.830 43.695 ( -30.384 3.712 -32.060) 44.326 45.487 ( -10.500 9.056 -7.209) 15.628 ======================= Grid point 454 (209/242) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 14.666 -2.736 1.499) 14.994 1.410 ( 12.205 1.165 -3.483) 12.746 1.981 ( 7.879 -11.159 6.453) 15.108 2.184 ( 8.221 -1.334 13.694) 16.028 2.507 ( 15.448 -8.923 -15.799) 23.830 2.941 ( 0.609 -10.541 2.579) 10.869 3.462 ( -2.567 -6.031 -1.531) 6.731 3.633 ( 1.807 -3.462 1.881) 4.335 4.157 ( -8.594 7.928 2.163) 11.891 4.498 ( -5.861 1.625 -9.863) 11.587 4.598 ( -2.695 -14.298 0.064) 14.550 4.885 ( -4.025 3.584 7.135) 8.941 5.115 ( -4.797 -1.802 0.672) 5.168 5.345 ( 1.195 -5.070 -3.519) 6.286 5.852 ( -9.764 1.612 -0.256) 9.899 6.989 ( 6.395 11.834 5.357) 14.479 7.222 ( -9.723 -2.581 -4.830) 11.159 7.995 ( -5.246 1.853 3.695) 6.679 19.721 ( 0.566 -0.241 0.563) 0.834 19.751 ( -0.408 -1.497 -0.270) 1.575 20.058 ( -1.323 0.118 -1.696) 2.154 20.291 ( 3.685 -0.132 0.709) 3.755 24.806 ( 0.277 -0.132 0.367) 0.478 24.894 ( 0.293 2.337 0.419) 2.393 31.627 ( 0.468 3.815 -0.280) 3.854 31.800 ( 0.046 -0.251 -0.284) 0.381 41.648 ( 2.893 -14.441 9.242) 17.387 41.871 ( -6.456 -30.161 4.485) 31.168 43.290 ( -7.570 1.858 -21.260) 22.644 45.124 ( -14.266 13.370 -7.259) 20.856 ======================= Grid point 455 (210/242) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 8.989 2.815 2.325) 9.702 1.702 ( 18.213 -10.293 8.620) 22.627 2.226 ( 7.792 -7.730 -1.591) 11.090 2.359 ( 6.082 -0.817 16.085) 17.216 2.709 ( 10.093 -4.760 -4.903) 12.189 3.170 ( 4.897 -11.043 3.587) 12.601 3.477 ( -2.593 -1.793 -3.574) 4.766 3.577 ( -11.235 0.894 -14.376) 18.267 3.964 ( -4.199 7.520 8.376) 12.014 4.355 ( -3.575 1.606 -9.883) 10.632 4.678 ( -5.579 0.238 -0.013) 5.584 4.814 ( -0.189 5.697 5.717) 8.073 5.099 ( -2.278 1.414 3.200) 4.175 5.558 ( 2.964 -17.088 -4.378) 17.887 5.691 ( -9.947 1.267 -2.429) 10.317 6.844 ( -3.220 9.979 3.467) 11.044 7.250 ( -6.616 -14.885 -2.682) 16.508 7.947 ( 0.664 4.064 4.229) 5.903 19.722 ( -0.763 -0.523 -0.112) 0.932 19.792 ( 0.533 -3.042 -0.315) 3.104 20.034 ( -0.906 0.262 -1.223) 1.544 20.325 ( 2.782 1.043 1.007) 3.137 24.812 ( 0.124 -0.133 0.048) 0.188 24.861 ( 0.057 2.035 0.072) 2.037 31.567 ( 0.470 3.904 -0.444) 3.957 31.804 ( -0.303 -0.549 -0.247) 0.674 41.888 ( 2.229 -9.618 2.851) 10.276 42.204 ( -14.704 -22.822 1.901) 27.216 43.285 ( 9.577 -5.231 -0.285) 10.917 44.700 ( -14.701 14.056 -8.026) 21.865 ======================= Grid point 456 (211/242) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 9.483 3.839 4.126) 11.031 2.069 ( 9.621 -10.908 -0.683) 14.560 2.409 ( 8.338 -6.546 -5.257) 11.832 2.491 ( 1.460 0.855 17.847) 17.927 2.861 ( 7.691 -2.777 4.879) 9.522 3.201 ( -13.182 3.987 -18.587) 23.133 3.418 ( 0.520 -1.423 -6.146) 6.330 3.499 ( -0.257 -5.698 6.901) 8.953 3.897 ( 0.120 3.274 4.350) 5.446 4.272 ( -1.720 1.331 -4.343) 4.857 4.488 ( -5.797 10.281 -3.610) 12.343 4.799 ( 0.209 2.151 6.250) 6.613 5.061 ( 1.043 3.503 1.832) 4.089 5.441 ( -9.633 5.869 -0.135) 11.281 5.937 ( 4.139 -18.172 -3.608) 18.983 6.664 ( -8.195 5.811 1.131) 10.110 7.470 ( -5.136 -20.688 -1.713) 21.385 7.919 ( 3.686 4.609 2.989) 6.616 19.728 ( -0.261 -1.125 -0.174) 1.168 19.845 ( 0.364 -3.316 -0.842) 3.441 20.018 ( -0.181 0.687 -0.007) 0.710 20.330 ( 1.070 1.637 0.557) 2.033 24.813 ( 0.055 0.142 -0.297) 0.334 24.836 ( 0.005 1.159 0.243) 1.184 31.515 ( 0.783 3.304 0.014) 3.396 31.807 ( -0.668 -0.802 -0.402) 1.119 42.033 ( 0.315 -5.943 0.574) 5.979 42.350 ( -6.821 -14.312 -3.178) 16.169 43.554 ( 9.246 -8.406 10.345) 16.222 44.291 ( -12.461 12.258 -7.710) 19.104 ======================= Grid point 457 (212/242) ======================= q-point: ( 0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 9.174 6.137 2.474) 11.311 2.216 ( -0.260 -5.579 -13.691) 14.787 2.479 ( -7.551 6.358 8.549) 13.058 2.553 ( 5.777 -2.981 -4.581) 7.953 2.929 ( -5.130 3.421 -11.745) 13.265 3.049 ( 6.945 -5.879 10.934) 14.225 3.408 ( -0.828 -4.234 -9.825) 10.731 3.585 ( -2.767 1.901 9.291) 9.879 3.898 ( 2.892 1.692 2.164) 3.988 4.206 ( -2.960 2.038 3.943) 5.335 4.312 ( 1.070 3.153 -7.104) 7.846 4.777 ( -1.826 2.796 3.633) 4.934 5.026 ( 0.622 3.164 0.998) 3.375 5.326 ( -1.864 -0.007 2.809) 3.371 6.174 ( -0.339 -8.676 -0.149) 8.684 6.500 ( -9.059 1.202 -1.678) 9.292 7.708 ( -3.768 -15.283 -1.391) 15.802 7.921 ( 5.744 3.211 1.409) 6.730 19.754 ( 1.171 -1.335 0.847) 1.967 19.896 ( 0.329 -3.407 -1.539) 3.753 20.004 ( 0.268 1.692 1.104) 2.038 20.301 ( -1.123 1.881 -0.632) 2.280 24.808 ( 0.242 0.357 -0.186) 0.469 24.825 ( -0.196 0.312 0.147) 0.397 31.485 ( 1.276 2.121 0.720) 2.578 31.808 ( -1.009 -0.823 -0.691) 1.475 42.104 ( -0.219 -2.982 1.179) 3.214 42.505 ( 3.563 -10.220 -5.290) 12.047 43.708 ( -6.141 1.602 -1.338) 6.486 44.067 ( 1.268 0.207 5.932) 6.070 ======================= Grid point 458 (213/242) ======================= q-point: (-0.42 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 7.783 8.453 -0.197) 11.492 2.062 ( -8.914 8.579 -19.355) 22.971 2.320 ( -2.058 5.217 -1.157) 5.726 2.559 ( -0.253 4.348 -0.848) 4.437 2.832 ( -1.068 2.142 -2.241) 3.279 3.283 ( -0.096 -7.918 3.154) 8.524 3.394 ( -3.125 -1.750 4.554) 5.794 3.572 ( 4.194 -1.625 -3.386) 5.630 3.866 ( -2.281 3.989 -0.487) 4.621 4.256 ( 2.462 -4.935 1.369) 5.682 4.324 ( 2.590 -5.211 0.153) 5.821 4.722 ( -1.886 2.105 0.903) 2.967 5.005 ( 0.903 0.698 1.334) 1.756 5.411 ( 3.595 -5.655 5.588) 8.725 6.140 ( -10.352 4.763 2.780) 11.730 6.462 ( -3.698 -5.856 -3.905) 7.951 7.826 ( -2.446 -4.266 -0.632) 4.959 7.961 ( 7.685 1.772 -0.050) 7.886 19.801 ( 2.826 -0.524 2.264) 3.658 19.943 ( 0.176 -2.252 -1.586) 2.760 19.982 ( 0.544 1.498 1.274) 2.040 20.240 ( -3.193 1.765 -2.040) 4.180 24.809 ( 0.369 -0.083 0.092) 0.389 24.819 ( -0.355 0.164 -0.092) 0.402 31.485 ( 1.597 0.649 1.256) 2.133 31.804 ( -1.178 -0.679 -0.913) 1.638 42.141 ( 0.692 0.009 2.261) 2.365 42.691 ( 11.044 -6.789 -9.171) 15.880 43.476 ( -9.966 7.472 -3.552) 12.953 44.259 ( 4.672 -8.888 10.886) 14.810 ======================= Grid point 459 (214/242) ======================= q-point: (-0.33 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 8.503 8.127 2.450) 12.014 1.656 ( -5.946 18.249 -16.936) 25.597 2.206 ( -2.483 4.859 -6.588) 8.555 2.427 ( -3.052 9.254 1.660) 9.885 2.797 ( 0.118 2.532 3.895) 4.647 3.192 ( -8.437 1.396 -3.161) 9.117 3.576 ( 3.429 -0.518 -0.413) 3.492 3.656 ( -0.792 -6.703 3.670) 7.683 3.737 ( -2.721 -0.708 -6.499) 7.081 4.414 ( 5.405 -8.917 0.005) 10.427 4.510 ( 2.725 -11.940 0.716) 12.268 4.690 ( -0.081 0.697 0.578) 0.909 5.045 ( 2.667 -2.439 1.477) 3.904 5.613 ( 3.321 -10.211 6.643) 12.626 5.904 ( -11.167 9.495 1.793) 14.767 6.478 ( -5.058 -3.345 -2.803) 6.680 7.779 ( -0.969 6.756 -0.268) 6.830 8.040 ( 8.940 0.190 -0.277) 8.946 19.838 ( 3.375 2.559 1.692) 4.560 19.917 ( -0.365 3.086 1.531) 3.464 20.025 ( 1.261 -3.579 -0.459) 3.823 20.164 ( -4.339 0.326 -2.902) 5.230 24.811 ( -0.450 0.173 -0.344) 0.592 24.819 ( 0.332 -0.566 0.334) 0.736 31.510 ( 1.463 -0.648 1.322) 2.075 31.796 ( -1.055 -0.542 -0.876) 1.474 42.122 ( 1.012 5.526 1.368) 5.782 42.796 ( 6.029 1.860 -18.724) 19.759 43.363 ( 5.159 0.088 11.046) 12.192 44.511 ( 1.091 -13.051 7.312) 14.999 ======================= Grid point 460 (215/242) ======================= q-point: (-0.25 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -1.588 15.941 -9.887) 18.825 1.482 ( 10.413 6.177 9.362) 15.305 2.038 ( -4.115 6.424 -8.988) 11.789 2.231 ( -3.068 12.209 1.368) 12.663 2.745 ( -2.783 7.881 9.692) 12.798 3.113 ( -0.915 -1.375 -6.196) 6.412 3.468 ( -12.027 1.989 -8.267) 14.729 3.537 ( -1.426 6.199 -2.836) 6.964 3.989 ( 5.612 -13.075 3.848) 14.740 4.587 ( 3.467 -2.700 1.247) 4.568 4.688 ( 4.344 -7.490 -4.032) 9.551 4.783 ( 1.578 -11.610 1.323) 11.791 5.163 ( 5.985 -5.905 -0.151) 8.409 5.574 ( -15.203 11.187 6.781) 20.056 5.900 ( 6.637 -11.221 0.766) 13.060 6.399 ( -8.640 2.752 -2.391) 9.378 7.634 ( 1.574 10.212 0.936) 10.375 8.148 ( 8.157 -1.664 -0.138) 8.327 19.799 ( 1.139 4.925 -0.275) 5.063 19.873 ( 0.109 4.073 1.231) 4.256 20.083 ( 1.072 -1.110 0.313) 1.575 20.134 ( -2.827 -4.033 -1.488) 5.145 24.800 ( -0.436 0.282 -0.353) 0.627 24.836 ( 0.101 -0.948 0.267) 0.990 31.547 ( 0.959 -1.557 0.929) 2.051 31.790 ( -0.738 -0.436 -0.575) 1.032 41.985 ( 0.218 12.771 -1.754) 12.893 42.581 ( -2.511 14.082 -13.682) 19.794 43.710 ( 23.168 -11.845 14.724) 29.898 44.765 ( -3.702 -17.546 3.165) 18.210 ======================= Grid point 461 (216/242) ======================= q-point: (-0.17 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.579 0.799 -1.245) 1.589 1.568 ( 9.054 5.986 14.617) 18.207 1.840 ( -3.794 6.222 -10.379) 12.681 1.976 ( -2.520 16.493 -0.265) 16.687 2.610 ( -2.658 8.672 8.852) 12.674 3.049 ( -4.486 5.589 -6.527) 9.694 3.311 ( -0.670 6.204 -3.778) 7.295 3.417 ( -4.656 -1.268 -3.235) 5.810 4.216 ( 1.818 -7.391 1.649) 7.788 4.647 ( 4.064 -2.508 -1.090) 4.898 4.851 ( 2.625 -7.180 0.661) 7.673 4.970 ( 4.975 -4.181 -0.606) 6.527 5.172 ( -5.746 12.448 -3.272) 14.095 5.446 ( 0.699 -12.200 6.824) 13.996 6.047 ( 1.920 11.170 -4.205) 12.089 6.241 ( -9.345 -8.837 1.181) 12.916 7.559 ( 2.773 2.498 1.701) 4.102 8.270 ( 5.412 -3.644 0.121) 6.526 19.738 ( 0.387 3.277 0.151) 3.303 19.799 ( -0.719 4.486 -0.834) 4.619 20.102 ( 0.325 -0.701 0.339) 0.843 20.179 ( -0.563 -2.977 0.238) 3.039 24.789 ( -0.301 0.326 -0.268) 0.518 24.852 ( -0.133 -1.019 0.108) 1.034 31.587 ( 0.390 -2.122 0.364) 2.188 31.787 ( -0.381 -0.302 -0.196) 0.524 41.712 ( -0.975 18.785 -3.556) 19.143 42.222 ( -1.562 21.774 -4.667) 22.323 44.323 ( 26.720 -19.227 11.923) 35.011 45.000 ( -9.721 -20.204 -0.140) 22.421 ======================= Grid point 462 (217/242) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -0.000 -10.552 0.000) 10.552 1.538 ( -0.000 13.703 0.000) 13.703 1.684 ( -0.000 14.981 0.000) 14.981 1.701 ( -0.000 3.446 -0.000) 3.446 2.547 ( -0.000 2.544 0.000) 2.544 2.850 ( -0.000 8.859 0.000) 8.859 3.120 ( -0.000 13.872 0.000) 13.872 3.449 ( -0.000 -1.599 0.000) 1.599 4.286 ( -0.000 -1.094 0.000) 1.094 4.647 ( -0.000 18.203 0.000) 18.203 4.833 ( 0.000 -0.704 -0.000) 0.704 4.989 ( -0.000 -6.419 0.000) 6.419 5.159 ( -0.000 -6.904 0.000) 6.904 5.692 ( 0.000 21.761 0.000) 21.761 5.756 ( -0.000 -18.684 0.000) 18.684 6.377 ( -0.000 -8.217 0.000) 8.217 7.611 ( -0.000 -4.952 0.000) 4.952 8.370 ( -0.000 -4.419 0.000) 4.419 19.720 ( 0.000 -0.704 0.000) 0.704 19.723 ( -0.000 3.672 -0.000) 3.672 20.115 ( -0.000 -0.452 0.000) 0.452 20.199 ( -0.000 0.284 0.000) 0.284 24.782 ( -0.000 0.260 0.000) 0.260 24.866 ( -0.000 -0.863 0.000) 0.863 31.626 ( -0.000 -2.286 0.000) 2.286 31.788 ( 0.000 -0.163 0.000) 0.163 41.379 ( -0.000 19.791 0.000) 19.791 41.832 ( -0.000 24.394 0.000) 24.394 44.899 ( -0.000 -20.806 0.000) 20.806 45.203 ( 0.000 -17.913 0.000) 17.913 ======================= Grid point 466 (218/242) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 15.243 0.000 -10.558) 18.542 1.336 ( 14.585 0.000 -14.860) 20.822 1.753 ( 7.621 0.000 15.969) 17.694 2.166 ( 8.751 0.000 13.061) 15.722 2.336 ( 24.783 0.000 -18.622) 30.999 2.711 ( -1.791 -0.000 -0.972) 2.038 3.209 ( -1.002 -0.000 -3.929) 4.055 3.551 ( -0.401 -0.000 7.360) 7.371 4.267 ( 0.302 0.000 1.722) 1.749 4.281 ( -7.897 -0.000 3.078) 8.476 4.575 ( -7.386 -0.000 -10.044) 12.468 4.972 ( -7.363 -0.000 8.283) 11.083 5.070 ( -4.452 -0.000 -5.498) 7.074 5.288 ( -1.760 -0.000 6.419) 6.656 5.928 ( -10.117 -0.000 -0.883) 10.156 7.134 ( -3.205 -0.000 -7.325) 7.996 7.283 ( -9.204 -0.000 4.333) 10.173 8.036 ( -1.608 -0.000 6.790) 6.978 19.703 ( 0.923 0.000 0.898) 1.288 19.765 ( -0.390 -0.000 -0.883) 0.965 20.060 ( -1.070 -0.000 -1.533) 1.869 20.270 ( 4.017 0.000 0.463) 4.044 24.804 ( 0.236 0.000 0.483) 0.538 24.944 ( -0.006 -0.000 1.597) 1.597 31.704 ( 0.431 0.000 0.682) 0.807 31.797 ( 0.186 0.000 -0.679) 0.704 41.070 ( 5.619 0.000 -5.194) 7.652 41.517 ( 4.551 0.000 5.080) 6.820 43.328 ( -11.493 -0.000 -26.033) 28.457 45.357 ( -17.183 -0.000 -7.794) 18.868 ======================= Grid point 467 (219/242) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 16.425 -0.649 -7.207) 17.949 1.530 ( 15.458 -4.517 -5.035) 16.873 1.979 ( 8.450 -6.721 12.044) 16.175 2.326 ( 8.607 -0.300 11.871) 14.666 2.573 ( 22.354 -1.858 -8.605) 24.025 2.807 ( 3.783 -10.989 0.890) 11.657 3.266 ( -2.624 -9.668 -3.701) 10.680 3.526 ( -8.882 -2.521 -7.449) 11.863 4.153 ( -11.638 2.933 5.806) 13.332 4.331 ( -2.956 -7.864 -0.408) 8.411 4.441 ( -3.444 -0.015 -10.030) 10.605 4.956 ( -0.344 2.332 10.624) 10.883 5.003 ( -5.939 -1.870 -5.548) 8.340 5.309 ( -1.261 -1.369 4.339) 4.721 5.779 ( -9.992 3.356 -0.394) 10.548 6.995 ( -9.653 -0.909 -9.047) 13.261 7.135 ( -14.937 3.524 3.405) 15.720 8.097 ( 6.814 3.941 10.003) 12.728 19.725 ( 0.831 -0.932 0.764) 1.464 19.746 ( -0.207 1.184 -0.514) 1.308 20.041 ( -0.739 0.238 -1.231) 1.456 20.321 ( 3.128 -0.820 -0.227) 3.242 24.809 ( 0.089 -0.058 0.277) 0.297 24.930 ( -0.611 1.735 0.635) 1.946 31.685 ( 0.194 2.702 -0.156) 2.714 31.794 ( -0.142 -0.043 -0.697) 0.712 41.309 ( 1.106 -22.909 -1.457) 22.982 41.643 ( 4.698 -5.683 3.758) 8.276 43.204 ( 4.769 -0.721 -10.485) 11.541 45.054 ( -18.918 6.641 -7.507) 21.409 ======================= Grid point 468 (220/242) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 12.510 0.354 -0.381) 12.521 1.773 ( 14.798 -6.561 -1.986) 16.308 2.213 ( 7.632 -5.776 3.351) 10.141 2.490 ( 6.436 -1.147 13.289) 14.810 2.772 ( 10.942 -2.479 1.184) 11.282 3.091 ( 9.326 -9.803 -0.267) 13.533 3.333 ( -9.133 -4.715 -5.288) 11.559 3.362 ( -7.837 -3.620 -14.802) 17.136 4.040 ( -6.809 3.595 10.640) 13.134 4.288 ( -1.902 0.363 -10.772) 10.945 4.545 ( -2.616 -11.471 0.199) 11.767 4.906 ( -3.668 3.761 -0.455) 5.273 5.035 ( -1.193 -6.841 7.299) 10.074 5.361 ( 1.029 -6.351 -1.816) 6.685 5.603 ( -10.241 4.372 0.152) 11.136 6.850 ( -14.709 3.069 0.161) 15.027 6.971 ( -9.891 -6.290 -3.130) 12.132 8.127 ( 7.061 7.399 6.977) 12.380 19.723 ( 0.167 1.053 -0.400) 1.138 19.761 ( 0.430 -1.992 0.839) 2.204 20.027 ( -0.067 0.247 -0.771) 0.812 20.355 ( 1.627 -0.239 -0.773) 1.817 24.811 ( -0.040 -0.100 0.063) 0.125 24.893 ( -0.433 2.081 0.016) 2.126 31.635 ( 0.637 3.695 -0.351) 3.766 31.788 ( -0.657 -0.238 -0.718) 1.002 41.667 ( -5.389 -23.589 -0.143) 24.197 41.822 ( 4.509 -8.876 0.356) 9.962 43.333 ( 11.092 -4.613 4.168) 12.716 44.675 ( -16.955 10.303 -7.033) 21.050 ======================= Grid point 469 (221/242) ======================= q-point: ( 0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 12.301 3.327 3.916) 13.332 1.996 ( 7.034 -7.299 -8.179) 13.025 2.377 ( 6.667 -5.163 -2.537) 8.806 2.607 ( 1.609 1.711 13.104) 13.313 2.929 ( 6.154 -3.185 5.838) 9.061 3.007 ( -11.096 1.224 -17.219) 20.521 3.323 ( -4.665 -2.917 -7.606) 9.387 3.471 ( 7.067 -7.152 8.350) 13.070 3.973 ( -1.043 3.703 5.080) 6.373 4.242 ( 0.871 -0.595 -7.493) 7.567 4.553 ( -4.693 5.391 0.225) 7.151 4.836 ( -2.684 0.511 2.353) 3.606 5.142 ( 1.960 0.661 6.495) 6.816 5.414 ( -9.649 4.719 1.099) 10.797 5.601 ( 1.284 -23.173 -4.028) 23.556 6.609 ( -14.932 4.348 -0.560) 15.562 7.063 ( -8.104 -18.063 -1.908) 19.890 8.107 ( 6.822 7.827 3.580) 10.983 19.718 ( 0.586 -0.180 -0.338) 0.700 19.804 ( 0.094 -2.477 0.739) 2.587 20.026 ( 0.797 0.140 -0.108) 0.817 20.354 ( -0.040 0.923 -1.065) 1.410 24.811 ( -0.102 -0.092 -0.136) 0.193 24.859 ( -0.143 1.696 0.007) 1.702 31.586 ( 1.308 3.727 0.211) 3.955 31.781 ( -1.197 -0.638 -0.876) 1.614 41.905 ( -3.444 -12.458 2.382) 13.143 42.040 ( 3.691 -14.797 -5.569) 16.236 43.573 ( 6.739 -6.304 9.298) 13.100 44.306 ( -11.701 10.716 -4.839) 16.588 ======================= Grid point 470 (222/242) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 11.268 6.715 1.307) 13.182 2.069 ( 1.338 -4.356 -13.127) 13.895 2.489 ( -1.150 -1.498 2.821) 3.395 2.593 ( 3.220 3.253 -1.150) 4.719 2.864 ( -2.217 0.087 -6.866) 7.216 3.070 ( 2.697 -4.107 6.233) 7.937 3.276 ( -3.841 -3.564 -7.739) 9.346 3.615 ( -1.257 -0.556 8.095) 8.211 3.965 ( 2.788 1.493 1.008) 3.319 4.226 ( 0.611 1.441 -2.484) 2.937 4.380 ( -1.869 8.003 -0.391) 8.228 4.802 ( -4.020 1.639 3.098) 5.334 5.121 ( 1.141 6.421 2.749) 7.077 5.320 ( -1.493 -0.599 5.132) 5.378 5.949 ( -1.077 -18.931 -1.050) 18.990 6.389 ( -12.463 2.261 -2.885) 12.991 7.304 ( -7.951 -23.902 -1.778) 25.253 8.086 ( 7.180 6.113 1.438) 9.539 19.743 ( 1.272 -1.907 -0.020) 2.292 19.847 ( -0.077 -2.688 0.488) 2.733 20.033 ( 1.243 0.742 0.309) 1.481 20.315 ( -1.490 2.149 -1.209) 2.881 24.810 ( -0.068 -0.051 -0.273) 0.286 24.837 ( 0.006 1.142 0.178) 1.156 31.552 ( 1.872 3.212 0.950) 3.837 31.773 ( -1.590 -1.012 -1.105) 2.185 42.041 ( -0.207 -6.358 3.329) 7.180 42.304 ( 5.387 -16.067 -8.649) 19.025 43.667 ( -5.538 1.914 1.605) 6.075 44.114 ( -0.486 1.688 5.068) 5.364 ======================= Grid point 471 (223/242) ======================= q-point: (-0.42 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 8.413 8.266 -4.953) 12.792 2.074 ( 6.015 4.017 -7.282) 10.264 2.392 ( -3.506 7.341 1.686) 8.308 2.622 ( 4.136 2.171 -2.293) 5.203 2.824 ( -1.239 -0.260 -3.631) 3.845 3.154 ( -3.148 -4.708 -1.840) 5.955 3.324 ( -0.237 -7.414 2.142) 7.721 3.588 ( -0.784 2.016 1.656) 2.724 3.892 ( -6.480 6.375 -3.145) 9.619 4.217 ( -0.024 -1.022 2.588) 2.783 4.322 ( 3.419 0.015 -1.340) 3.672 4.742 ( -2.766 1.791 2.608) 4.202 5.062 ( 1.499 3.642 2.329) 4.576 5.407 ( 3.355 -3.691 7.273) 8.819 6.064 ( -9.758 -1.079 0.685) 9.841 6.296 ( -4.138 -6.938 -3.901) 8.971 7.572 ( -6.121 -19.782 -1.846) 20.789 8.096 ( 7.322 3.588 0.443) 8.166 19.806 ( 1.883 -3.503 0.751) 4.048 19.892 ( -0.055 -2.821 0.044) 2.822 20.025 ( 0.978 2.204 0.120) 2.414 20.244 ( -2.257 3.271 -1.168) 4.143 24.809 ( -0.106 -0.081 -0.355) 0.379 24.824 ( 0.131 0.676 0.321) 0.760 31.537 ( 2.031 2.247 1.385) 3.331 31.766 ( -1.636 -1.196 -1.188) 2.349 42.145 ( 1.701 -3.293 4.244) 5.635 42.563 ( 6.566 -13.869 -13.025) 20.128 43.505 ( -4.693 6.835 1.542) 8.434 44.210 ( -0.061 -6.156 7.992) 10.088 ======================= Grid point 472 (224/242) ======================= q-point: (-0.33 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 9.772 7.381 -2.816) 12.566 1.934 ( 6.842 19.775 -1.660) 20.991 2.248 ( -1.185 6.588 -5.378) 8.587 2.550 ( -1.378 7.902 2.251) 8.331 2.833 ( 2.830 -1.645 -0.698) 3.347 3.114 ( -6.531 1.420 -0.459) 6.699 3.497 ( -3.928 -10.093 6.408) 12.584 3.594 ( -0.552 1.429 -5.973) 6.166 3.671 ( -3.513 0.004 -7.308) 8.108 4.267 ( -2.032 -7.294 0.069) 7.572 4.424 ( 4.586 -6.029 0.254) 7.579 4.716 ( -0.519 1.264 2.516) 2.863 5.064 ( 2.259 0.177 1.945) 2.986 5.559 ( 2.892 -5.462 8.277) 10.330 5.897 ( -9.544 4.853 -1.889) 10.873 6.359 ( -2.801 -5.417 -1.713) 6.334 7.739 ( -3.298 -8.462 -1.183) 9.159 8.138 ( 6.347 1.187 0.064) 6.457 19.896 ( 2.181 -3.267 2.571) 4.694 19.932 ( 0.153 -2.221 -1.294) 2.575 19.987 ( -0.180 2.635 -0.568) 2.702 20.157 ( -1.980 3.727 -0.929) 4.321 24.806 ( -0.302 0.025 -0.342) 0.457 24.822 ( 0.305 0.144 0.335) 0.475 31.539 ( 1.616 1.083 1.258) 2.317 31.763 ( -1.243 -1.202 -0.954) 1.975 42.211 ( 2.510 1.334 4.025) 4.927 42.701 ( 0.516 -6.015 -16.356) 17.434 43.482 ( 7.857 -1.174 8.080) 11.331 44.341 ( -4.232 -9.332 4.757) 11.297 ======================= Grid point 473 (225/242) ======================= q-point: (-0.25 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 1.522 20.741 -5.420) 21.492 1.806 ( 12.461 10.275 10.811) 19.436 2.075 ( -2.577 8.266 -9.172) 12.613 2.396 ( -1.671 10.437 1.960) 10.750 2.889 ( 2.378 5.882 6.271) 8.920 3.030 ( -0.741 -3.042 -3.692) 4.841 3.303 ( -15.079 3.070 -7.066) 16.933 3.611 ( 1.024 2.754 -2.079) 3.599 3.848 ( 3.977 -13.495 2.111) 14.226 4.439 ( 0.196 -16.622 -2.846) 16.865 4.588 ( 2.946 -9.057 -0.707) 9.550 4.698 ( -1.278 1.405 2.441) 3.093 5.128 ( 2.437 -4.146 0.891) 4.891 5.613 ( -6.948 6.938 6.363) 11.701 5.806 ( 2.147 -6.568 -2.270) 7.273 6.367 ( -2.563 0.090 -0.722) 2.664 7.753 ( -0.716 2.941 -0.231) 3.036 8.195 ( 3.921 -0.873 -0.027) 4.017 19.901 ( 1.183 5.812 -0.147) 5.933 19.929 ( -0.440 2.020 1.068) 2.327 20.018 ( -0.255 -6.353 -0.820) 6.411 20.093 ( -0.565 1.384 -0.273) 1.520 24.799 ( -0.228 0.226 -0.191) 0.374 24.828 ( 0.165 -0.376 0.179) 0.448 31.550 ( 0.814 -0.070 0.674) 1.059 31.767 ( -0.607 -1.029 -0.477) 1.287 42.170 ( 1.462 8.941 1.176) 9.136 42.630 ( -2.576 3.576 -8.528) 9.599 43.782 ( 14.634 -13.226 6.894) 20.896 44.462 ( -7.121 -12.645 1.012) 14.548 ======================= Grid point 474 (226/242) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -0.000 15.198 0.000) 15.198 1.838 ( 0.000 9.643 0.000) 9.643 1.849 ( -0.000 5.834 -0.000) 5.834 2.202 ( 0.000 13.509 -0.000) 13.509 2.751 ( -0.000 9.827 0.000) 9.827 3.096 ( 0.000 5.544 0.000) 5.544 3.198 ( -0.000 -10.553 0.000) 10.553 3.508 ( -0.000 9.319 0.000) 9.319 4.082 ( -0.000 -11.684 0.000) 11.684 4.663 ( 0.000 1.387 -0.000) 1.387 4.704 ( -0.000 -13.035 0.000) 13.035 4.790 ( -0.000 -15.340 0.000) 15.340 5.260 ( 0.000 -10.266 0.000) 10.266 5.394 ( -0.000 15.027 0.000) 15.027 5.984 ( -0.000 -12.595 0.000) 12.595 6.277 ( -0.000 9.522 0.000) 9.522 7.658 ( -0.000 7.147 0.000) 7.147 8.247 ( -0.000 -2.666 0.000) 2.666 19.814 ( 0.000 5.609 0.000) 5.609 19.867 ( -0.000 4.709 0.000) 4.709 20.091 ( -0.000 -0.804 0.000) 0.804 20.110 ( -0.000 -5.312 0.000) 5.312 24.792 ( -0.000 0.346 0.000) 0.346 24.839 ( -0.000 -0.727 0.000) 0.727 31.565 ( -0.000 -1.150 0.000) 1.150 31.776 ( 0.000 -0.693 0.000) 0.693 41.979 ( -0.000 15.657 0.000) 15.657 42.470 ( -0.000 12.500 0.000) 12.500 44.192 ( -0.000 -21.058 0.000) 21.058 44.627 ( 0.000 -15.883 0.000) 15.883 ======================= Grid point 480 (227/242) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 13.307 0.000 -11.669) 17.699 1.633 ( 17.368 0.000 -6.359) 18.495 2.069 ( 5.731 0.000 12.426) 13.684 2.497 ( 8.713 0.000 13.202) 15.818 2.684 ( -0.875 -0.000 1.149) 1.444 2.855 ( 26.680 0.000 -2.973) 26.845 3.167 ( 0.915 0.000 -2.432) 2.599 3.309 ( -14.206 -0.000 -16.065) 21.445 4.077 ( -10.390 -0.000 10.199) 14.560 4.231 ( -4.075 -0.000 -1.376) 4.301 4.358 ( -3.046 -0.000 -9.639) 10.109 4.884 ( -6.102 -0.000 -6.185) 8.688 5.044 ( 1.858 0.000 10.265) 10.432 5.287 ( -4.851 -0.000 5.079) 7.024 5.715 ( -6.870 -0.000 1.058) 6.951 6.828 ( -9.822 -0.000 -8.087) 12.723 6.964 ( -19.157 -0.000 1.005) 19.184 8.269 ( 6.764 0.000 9.705) 11.830 19.727 ( 0.331 0.000 0.654) 0.733 19.756 ( 0.324 0.000 -0.567) 0.653 20.034 ( -0.305 -0.000 -0.258) 0.399 20.340 ( 2.213 0.000 -1.259) 2.546 24.809 ( -0.090 -0.000 0.175) 0.196 24.934 ( -1.225 -0.000 0.183) 1.238 31.704 ( -0.409 -0.000 -0.455) 0.612 31.789 ( -0.208 -0.000 -0.900) 0.924 41.162 ( 6.677 0.000 -4.719) 8.176 41.680 ( 5.290 0.000 4.562) 6.986 43.265 ( 10.866 0.000 0.261) 10.869 44.851 ( -18.943 -0.000 -6.874) 20.152 ======================= Grid point 481 (228/242) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 12.997 -4.405 -6.227) 15.070 1.815 ( 12.567 -4.297 -7.599) 15.301 2.217 ( 3.053 -5.323 7.391) 9.606 2.620 ( 5.981 0.706 10.785) 12.352 2.777 ( -1.104 -7.865 5.255) 9.523 3.011 ( -5.795 0.022 -14.364) 15.489 3.171 ( 3.695 -2.742 -8.193) 9.397 3.252 ( 10.187 -6.042 2.760) 12.161 4.047 ( -5.523 0.125 13.114) 14.230 4.205 ( -3.659 -3.137 -5.741) 7.496 4.321 ( -2.104 -7.605 -6.946) 10.512 4.803 ( -5.854 -1.797 -5.631) 8.319 5.085 ( 0.998 2.893 9.401) 9.886 5.264 ( -6.776 -3.461 2.617) 8.046 5.626 ( -2.370 5.572 2.062) 6.397 6.687 ( -14.131 -0.407 -2.121) 14.295 6.771 ( -12.707 -1.801 -2.882) 13.154 8.332 ( 4.694 4.683 5.801) 8.810 19.740 ( -0.185 -0.831 0.664) 1.080 19.749 ( 0.822 0.923 -0.398) 1.299 20.031 ( 0.149 0.188 0.443) 0.504 20.355 ( 1.032 -0.440 -2.031) 2.320 24.808 ( -0.235 -0.063 0.053) 0.249 24.911 ( -0.908 1.155 -0.184) 1.481 31.682 ( -0.030 1.758 -0.496) 1.826 31.778 ( -0.527 0.306 -0.913) 1.098 41.334 ( 3.972 -14.244 -3.634) 15.227 41.792 ( 4.954 -3.895 3.156) 7.048 43.431 ( 10.760 -2.271 7.079) 13.079 44.580 ( -15.315 5.140 -5.658) 17.117 ======================= Grid point 482 (229/242) ======================= q-point: ( 0.42 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 11.697 -2.420 0.571) 11.958 1.939 ( 6.593 -2.592 -10.572) 12.726 2.353 ( 2.570 -5.137 1.442) 5.922 2.690 ( -4.162 0.329 7.295) 8.405 2.856 ( 1.821 -3.361 -8.573) 9.387 2.944 ( 1.013 -2.494 3.177) 4.164 3.185 ( -2.420 -2.084 -5.502) 6.362 3.491 ( 6.244 -5.883 6.320) 10.655 4.039 ( -0.268 2.557 4.781) 5.429 4.206 ( 1.943 -2.062 -4.772) 5.549 4.481 ( -2.800 -12.432 -0.482) 12.753 4.751 ( -5.332 -3.312 -3.604) 7.238 5.122 ( -3.670 -7.475 6.319) 10.454 5.273 ( -3.251 -3.525 1.879) 5.150 5.519 ( 0.963 7.209 1.779) 7.487 6.484 ( -14.831 2.525 -1.844) 15.158 6.734 ( -9.317 -9.708 -2.120) 13.622 8.308 ( 4.260 6.704 2.507) 8.329 19.732 ( 0.665 1.083 -0.167) 1.282 19.770 ( -0.217 -2.049 0.549) 2.133 20.040 ( 0.920 -0.094 0.866) 1.267 20.352 ( -0.168 0.239 -2.212) 2.231 24.807 ( -0.320 -0.131 -0.083) 0.355 24.882 ( -0.345 1.439 -0.147) 1.486 31.651 ( 0.884 2.434 -0.005) 2.590 31.759 ( -1.095 0.293 -0.959) 1.485 41.614 ( 1.520 -18.156 -2.050) 18.334 41.935 ( 4.566 -6.228 0.186) 7.724 43.609 ( 4.927 -2.826 7.853) 9.692 44.314 ( -8.815 7.399 -2.949) 11.880 ======================= Grid point 483 (230/242) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 5.399 3.666 -9.401) 11.444 2.023 ( 9.977 -3.605 0.378) 10.615 2.459 ( 1.330 -3.954 1.561) 4.454 2.652 ( 0.139 0.011 -3.636) 3.639 2.864 ( 0.809 4.418 3.329) 5.591 3.042 ( 0.883 -5.820 2.184) 6.279 3.147 ( -2.748 -1.255 -6.178) 6.877 3.616 ( -1.181 -2.368 6.857) 7.350 4.011 ( -0.038 2.476 -2.520) 3.533 4.246 ( 3.242 -0.398 -0.660) 3.332 4.480 ( -1.973 6.002 0.395) 6.330 4.750 ( -5.812 -2.801 0.885) 6.512 5.247 ( -1.009 0.436 4.168) 4.310 5.330 ( 2.877 -1.773 5.523) 6.475 5.567 ( -2.038 -19.562 -1.517) 19.726 6.277 ( -11.102 2.820 -3.777) 12.061 6.841 ( -9.664 -18.842 -1.468) 21.226 8.260 ( 4.620 6.236 0.773) 7.800 19.732 ( 0.751 -0.495 -0.423) 0.994 19.806 ( -0.518 -2.596 0.676) 2.732 20.060 ( 1.517 0.069 0.933) 1.782 20.322 ( -0.988 1.467 -1.762) 2.497 24.805 ( -0.334 -0.183 -0.201) 0.430 24.858 ( 0.056 1.313 0.049) 1.315 31.626 ( 1.635 2.758 0.671) 3.276 31.737 ( -1.579 -0.261 -1.101) 1.943 41.898 ( 0.938 -15.053 2.048) 15.221 42.101 ( 4.936 -10.269 -5.555) 12.676 43.661 ( -2.877 1.777 3.332) 4.747 44.163 ( -1.384 3.501 2.475) 4.505 ======================= Grid point 484 (231/242) ======================= q-point: ( 0.58 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 7.364 4.993 -7.031) 11.340 2.198 ( 11.540 -1.551 1.351) 11.722 2.471 ( -2.891 4.078 4.822) 6.945 2.695 ( 7.647 -2.816 -7.488) 11.067 2.776 ( -5.029 4.191 1.509) 6.718 3.095 ( 0.572 1.231 -1.443) 1.981 3.183 ( -1.083 -9.316 0.009) 9.378 3.620 ( -2.305 2.173 4.197) 5.258 3.883 ( -8.444 6.067 -5.812) 11.912 4.264 ( 1.959 3.258 1.241) 3.999 4.375 ( 1.126 3.867 0.208) 4.033 4.723 ( -3.817 -1.209 1.642) 4.327 5.182 ( 1.879 7.393 3.437) 8.367 5.440 ( 4.845 -2.629 6.512) 8.532 5.857 ( -6.237 -15.317 -0.821) 16.559 6.138 ( -5.410 -2.365 -4.151) 7.217 7.100 ( -7.411 -26.540 -1.778) 27.613 8.229 ( 4.439 4.443 0.177) 6.283 19.763 ( 0.586 -2.823 -0.609) 2.947 19.847 ( -0.567 -2.896 0.606) 3.013 20.072 ( 1.608 1.322 0.646) 2.179 20.269 ( -1.209 2.764 -0.957) 3.164 24.803 ( -0.283 -0.177 -0.246) 0.415 24.842 ( 0.222 1.019 0.181) 1.058 31.606 ( 1.705 2.778 1.010) 3.412 31.724 ( -1.523 -1.008 -1.059) 2.111 42.111 ( 1.741 -7.568 6.663) 10.232 42.317 ( 3.628 -15.117 -12.025) 19.655 43.577 ( -1.590 4.748 2.573) 5.630 44.162 ( -1.611 -1.767 3.915) 4.588 ======================= Grid point 485 (232/242) ======================= q-point: (-0.33 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 6.857 4.727 -2.404) 8.668 2.288 ( 9.438 9.245 1.749) 13.327 2.338 ( -1.824 9.165 0.230) 9.348 2.645 ( -3.999 5.560 0.402) 6.860 2.807 ( 5.205 -4.609 -4.209) 8.127 3.102 ( 2.558 -0.262 2.694) 3.724 3.313 ( -6.334 -7.414 1.862) 9.927 3.569 ( -2.720 -0.531 -4.376) 5.179 3.627 ( -5.362 7.206 -2.939) 9.451 4.212 ( -1.148 2.265 0.752) 2.649 4.400 ( 2.523 -2.469 0.183) 3.534 4.725 ( -0.828 -0.773 1.476) 1.860 5.122 ( 1.273 3.771 1.541) 4.268 5.575 ( 4.599 -3.311 6.395) 8.545 5.835 ( -7.451 1.355 -3.422) 8.310 6.216 ( -1.322 -8.931 -1.081) 9.093 7.440 ( -3.169 -22.905 -1.047) 23.147 8.219 ( 2.910 2.385 0.040) 3.762 19.827 ( 0.138 -4.927 -0.511) 4.955 19.890 ( -0.350 -2.863 0.348) 2.905 20.056 ( 1.258 3.257 0.358) 3.509 20.200 ( -0.902 3.831 -0.350) 3.951 24.801 ( -0.172 -0.079 -0.172) 0.256 24.832 ( 0.178 0.610 0.156) 0.654 31.586 ( 0.998 2.232 0.703) 2.544 31.726 ( -0.837 -1.426 -0.612) 1.763 42.253 ( 2.389 -2.999 6.021) 7.138 42.492 ( -0.323 -11.266 -11.271) 15.939 43.566 ( 3.901 -0.618 3.824) 5.498 44.195 ( -3.709 -4.560 1.798) 6.147 ======================= Grid point 486 (233/242) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 0.000 11.625 0.000) 11.625 2.132 ( 0.000 15.196 0.000) 15.196 2.164 ( -0.000 10.686 -0.000) 10.686 2.528 ( -0.000 7.002 0.000) 7.002 2.916 ( -0.000 -6.403 0.000) 6.403 3.107 ( -0.000 11.064 0.000) 11.064 3.204 ( 0.000 0.483 0.000) 0.483 3.602 ( -0.000 -2.838 0.000) 2.838 3.666 ( 0.000 -12.557 0.000) 12.557 4.227 ( -0.000 -6.588 0.000) 6.588 4.484 ( -0.000 -6.022 0.000) 6.022 4.724 ( -0.000 1.038 0.000) 1.038 5.107 ( -0.000 -0.357 0.000) 0.357 5.703 ( -0.000 -5.593 -0.000) 5.593 5.707 ( 0.000 5.752 0.000) 5.752 6.315 ( -0.000 -4.784 0.000) 4.784 7.690 ( -0.000 -10.322 0.000) 10.322 8.214 ( -0.000 0.563 0.000) 0.563 19.914 ( -0.000 -6.046 0.000) 6.046 19.927 ( 0.000 -1.632 -0.000) 1.632 19.999 ( 0.000 4.932 0.000) 4.932 20.131 ( -0.000 3.775 0.000) 3.775 24.800 ( -0.000 0.083 0.000) 0.083 24.828 ( -0.000 0.128 0.000) 0.128 31.566 ( -0.000 1.220 0.000) 1.220 31.742 ( 0.000 -1.402 0.000) 1.402 42.285 ( -0.000 3.176 0.000) 3.176 42.579 ( -0.000 -4.633 0.000) 4.633 43.694 ( -0.000 -9.225 0.000) 9.225 44.263 ( 0.000 -7.410 0.000) 7.410 ======================= Grid point 494 (234/242) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 11.404 0.000 -9.736) 14.995 1.870 ( 10.882 0.000 -9.759) 14.617 2.213 ( -1.593 -0.000 8.426) 8.576 2.671 ( -10.811 -0.000 7.044) 12.904 2.677 ( -0.045 -0.000 -1.111) 1.112 2.949 ( 8.345 0.000 -5.364) 9.920 3.233 ( 4.225 0.000 3.621) 5.564 3.317 ( 9.081 0.000 -1.044) 9.141 4.071 ( -6.677 -0.000 -3.578) 7.575 4.077 ( -1.103 -0.000 12.489) 12.537 4.224 ( 0.498 0.000 -9.495) 9.508 4.705 ( -4.330 -0.000 -5.289) 6.835 5.121 ( -11.801 -0.000 1.534) 11.901 5.200 ( 3.510 0.000 9.499) 10.127 5.687 ( 1.176 0.000 3.489) 3.682 6.514 ( -13.941 -0.000 -2.257) 14.123 6.607 ( -10.219 -0.000 -3.424) 10.778 8.427 ( 2.089 0.000 2.996) 3.652 19.730 ( -0.357 -0.000 0.242) 0.431 19.768 ( 0.968 0.000 -0.096) 0.972 20.036 ( -0.274 -0.000 1.155) 1.187 20.351 ( 0.762 0.000 -2.552) 2.663 24.804 ( -0.398 -0.000 0.001) 0.398 24.908 ( -0.806 -0.000 -0.292) 0.858 31.688 ( -0.418 -0.000 -0.479) 0.636 31.773 ( -0.303 -0.000 -0.900) 0.950 41.269 ( 6.025 0.000 -3.328) 6.884 41.833 ( 4.532 0.000 3.170) 5.531 43.562 ( 8.059 0.000 7.899) 11.285 44.446 ( -10.850 -0.000 -3.948) 11.546 ======================= Grid point 495 (235/242) ======================= q-point: ( 0.42 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 10.719 -8.182 -6.342) 14.901 1.950 ( 8.567 -2.128 -8.563) 12.298 2.271 ( -3.030 -5.890 5.874) 8.853 2.593 ( -7.048 -2.202 0.322) 7.391 2.735 ( 0.027 -8.133 -2.331) 8.461 3.037 ( 5.902 3.146 8.022) 10.444 3.219 ( 3.834 5.810 -0.886) 7.017 3.461 ( 2.562 -6.868 2.494) 7.743 4.064 ( -1.652 -3.448 -3.313) 5.059 4.132 ( -2.299 -8.747 2.892) 9.495 4.237 ( 2.061 -3.558 -1.960) 4.555 4.651 ( -3.010 -1.456 -4.314) 5.458 4.981 ( -11.995 0.107 0.452) 12.004 5.299 ( 4.217 -0.743 8.873) 9.852 5.672 ( 2.272 6.400 2.879) 7.377 6.348 ( -11.548 0.994 -3.295) 12.050 6.514 ( -9.076 -3.873 -2.215) 10.113 8.426 ( 1.489 3.219 0.922) 3.665 19.735 ( -0.540 -1.099 0.271) 1.254 19.767 ( 0.898 1.300 -0.139) 1.586 20.043 ( -0.172 -0.751 1.293) 1.505 20.344 ( 0.384 0.202 -2.377) 2.416 24.800 ( -0.461 -0.091 -0.081) 0.476 24.894 ( -0.368 0.725 -0.192) 0.835 31.677 ( -0.085 0.571 -0.248) 0.629 31.758 ( -0.388 0.932 -0.749) 1.257 41.404 ( 4.271 -10.632 -2.329) 11.693 41.916 ( 3.664 -2.897 1.798) 5.005 43.668 ( 3.089 -0.269 6.056) 6.804 44.310 ( -5.064 3.487 -1.575) 6.347 ======================= Grid point 496 (236/242) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 8.179 0.971 -7.211) 10.947 2.100 ( 9.262 -3.859 0.925) 10.076 2.380 ( -1.728 -8.254 2.316) 8.745 2.580 ( -2.557 -3.045 -2.468) 4.680 2.875 ( -1.459 -10.114 -1.856) 10.386 3.009 ( -3.581 6.481 8.825) 11.520 3.197 ( 8.557 4.662 -2.600) 10.085 3.587 ( 0.922 -4.252 4.683) 6.392 4.010 ( -3.836 2.645 -5.458) 7.177 4.279 ( 3.519 -1.537 2.658) 4.670 4.426 ( -1.354 -16.505 -0.349) 16.564 4.635 ( -2.355 -1.221 -1.744) 3.175 4.928 ( -9.121 -15.656 -1.642) 18.193 5.405 ( 4.782 -0.960 7.940) 9.318 5.573 ( 1.514 9.752 1.556) 9.991 6.191 ( -8.144 2.333 -4.174) 9.444 6.510 ( -8.113 -9.474 -1.128) 12.524 8.384 ( 1.819 4.467 0.068) 4.824 19.742 ( 0.215 0.740 0.266) 0.815 19.765 ( -0.324 -1.607 -0.319) 1.670 20.069 ( 0.451 -1.274 1.172) 1.789 20.327 ( -0.026 1.056 -1.686) 1.990 24.797 ( -0.387 -0.183 -0.137) 0.450 24.877 ( -0.013 1.028 -0.026) 1.028 31.669 ( 0.473 0.650 0.091) 0.809 31.729 ( -0.644 1.493 -0.614) 1.738 41.654 ( 2.442 -16.497 -0.959) 16.704 42.020 ( 2.806 -5.022 -0.328) 5.762 43.687 ( -0.993 2.000 2.949) 3.699 44.217 ( -0.913 3.812 0.868) 4.015 ======================= Grid point 497 (237/242) ======================= q-point: ( 0.58 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 5.543 3.559 -3.346) 7.389 2.266 ( 7.556 -4.553 1.756) 8.995 2.479 ( -1.417 -3.243 2.713) 4.460 2.603 ( -0.647 -4.789 -4.972) 6.933 2.863 ( -3.471 6.569 3.782) 8.337 3.021 ( -0.971 -8.594 -0.933) 8.699 3.204 ( 6.944 5.418 -0.053) 8.807 3.655 ( 1.052 0.528 5.230) 5.361 3.842 ( -8.464 5.339 -6.806) 12.102 4.329 ( 2.188 0.683 1.023) 2.511 4.474 ( 1.043 6.553 -0.023) 6.635 4.629 ( -4.317 -5.436 0.348) 6.950 5.299 ( 2.398 -18.714 3.993) 19.285 5.431 ( -0.193 -0.132 -4.042) 4.049 5.528 ( -0.003 -5.159 5.412) 7.476 6.064 ( -4.158 1.713 -3.282) 5.567 6.646 ( -5.028 -18.862 -0.818) 19.538 8.333 ( 1.605 4.334 -0.049) 4.622 19.739 ( 0.188 -0.432 -0.216) 0.518 19.796 ( -0.465 -2.780 0.033) 2.819 20.097 ( 0.696 -0.563 0.707) 1.141 20.294 ( -0.257 2.073 -0.760) 2.223 24.796 ( -0.209 -0.227 -0.114) 0.329 24.861 ( 0.096 1.074 0.054) 1.080 31.665 ( 1.172 1.677 0.589) 2.129 31.696 ( -1.172 0.416 -0.743) 1.448 41.950 ( 1.112 -17.605 1.601) 17.712 42.131 ( 1.728 -6.688 -3.267) 7.641 43.637 ( -0.743 3.392 1.467) 3.770 44.168 ( -0.631 2.313 1.185) 2.675 ======================= Grid point 498 (238/242) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -0.000 3.606 0.000) 3.606 2.400 ( 0.000 -3.180 -0.000) 3.180 2.454 ( -0.000 5.445 0.000) 5.445 2.637 ( -0.000 -1.015 -0.000) 1.015 2.792 ( 0.000 0.276 -0.000) 0.276 3.152 ( 0.000 -8.571 -0.000) 8.571 3.171 ( -0.000 3.592 0.000) 3.592 3.602 ( -0.000 8.573 -0.000) 8.573 3.678 ( 0.000 3.809 0.000) 3.809 4.288 ( -0.000 6.099 0.000) 6.099 4.403 ( -0.000 1.454 0.000) 1.454 4.686 ( -0.000 -3.726 0.000) 3.726 5.233 ( -0.000 8.764 0.000) 8.764 5.582 ( -0.000 -2.571 0.000) 2.571 5.721 ( 0.000 -11.781 0.000) 11.781 6.062 ( -0.000 -6.789 0.000) 6.789 6.996 ( -0.000 -27.946 0.000) 27.946 8.281 ( -0.000 3.509 0.000) 3.509 19.764 ( 0.000 -2.786 0.000) 2.786 19.840 ( -0.000 -3.080 0.000) 3.080 20.100 ( 0.000 1.165 0.000) 1.165 20.249 ( -0.000 3.059 0.000) 3.059 24.798 ( -0.000 -0.189 0.000) 0.189 24.846 ( -0.000 0.931 0.000) 0.931 31.634 ( 0.000 2.819 0.000) 2.819 31.697 ( -0.000 -1.240 0.000) 1.240 42.222 ( 0.000 -5.357 0.000) 5.357 42.238 ( -0.000 -16.065 -0.000) 16.065 43.598 ( 0.000 1.508 0.000) 1.508 44.145 ( 0.000 -0.114 0.000) 0.114 ======================= Grid point 508 (239/242) ======================= q-point: ( 0.42 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 6.166 0.000 -7.782) 9.928 2.007 ( 9.686 0.000 -5.969) 11.377 2.225 ( -2.741 -0.000 6.521) 7.074 2.521 ( -3.373 -0.000 1.203) 3.581 2.661 ( 0.143 0.000 -2.085) 2.090 3.141 ( -3.629 -0.000 12.554) 13.067 3.387 ( 4.453 0.000 4.964) 6.669 3.398 ( 8.972 0.000 -6.057) 10.826 3.915 ( -3.842 -0.000 -2.150) 4.403 4.069 ( -3.299 -0.000 -4.762) 5.793 4.271 ( 3.159 0.000 3.566) 4.764 4.587 ( -1.999 -0.000 -4.050) 4.516 4.858 ( -10.410 -0.000 0.007) 10.410 5.390 ( 4.850 0.000 7.985) 9.342 5.764 ( 1.939 0.000 2.453) 3.127 6.221 ( -8.817 -0.000 -4.270) 9.797 6.386 ( -6.542 -0.000 -1.472) 6.706 8.462 ( 0.419 0.000 -0.025) 0.420 19.720 ( -0.445 -0.000 -0.030) 0.446 19.791 ( 0.823 0.000 0.150) 0.836 20.033 ( -0.883 -0.000 0.877) 1.245 20.343 ( 0.629 0.000 -1.718) 1.829 24.793 ( -0.438 -0.000 -0.089) 0.447 24.895 ( -0.201 -0.000 -0.126) 0.238 31.676 ( -0.334 -0.000 -0.218) 0.399 31.761 ( -0.087 -0.000 -0.515) 0.523 41.356 ( 3.616 0.000 -1.659) 3.978 41.938 ( 2.561 0.000 1.558) 2.998 43.717 ( 1.044 0.000 3.809) 3.949 44.294 ( -1.836 -0.000 -0.423) 1.884 ======================= Grid point 509 (240/242) ======================= q-point: ( 0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 5.893 -16.937 -4.460) 18.479 2.077 ( 6.059 0.145 -2.581) 6.587 2.243 ( -3.081 -2.481 4.390) 5.909 2.514 ( -1.316 -1.593 0.163) 2.073 2.709 ( -0.227 -6.946 -1.265) 7.064 3.085 ( -5.196 4.588 6.170) 9.280 3.377 ( 6.607 5.557 0.673) 8.660 3.566 ( 5.601 -4.986 1.552) 7.658 3.960 ( -4.513 -0.451 -4.187) 6.173 4.050 ( -2.296 -16.682 -0.805) 16.859 4.318 ( 1.857 -0.655 1.714) 2.611 4.588 ( 0.450 -4.067 -2.650) 4.875 4.740 ( -7.549 2.105 0.183) 7.839 5.477 ( 3.568 -0.482 5.061) 6.211 5.737 ( 1.173 6.622 1.178) 6.828 6.116 ( -5.434 0.412 -3.308) 6.376 6.345 ( -3.626 -2.742 -0.580) 4.582 8.447 ( 0.361 2.151 -0.180) 2.188 19.726 ( -0.287 -1.247 0.047) 1.281 19.781 ( 0.331 1.934 -0.050) 1.963 20.045 ( -0.365 -1.931 0.523) 2.033 20.337 ( 0.340 0.693 -0.875) 1.167 24.790 ( -0.254 -0.113 -0.070) 0.287 24.889 ( -0.036 0.539 -0.034) 0.541 31.672 ( -0.158 0.008 -0.107) 0.191 31.749 ( -0.026 1.225 -0.236) 1.248 41.461 ( 1.746 -9.753 -0.771) 9.938 41.986 ( 1.343 -2.487 0.562) 2.882 43.722 ( -0.185 1.571 1.622) 2.266 44.264 ( -0.271 2.341 0.231) 2.367 ======================= Grid point 510 (241/242) ======================= q-point: ( 0.58 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -0.000 2.571 -0.000) 2.571 2.257 ( -0.000 -2.417 0.000) 2.417 2.330 ( 0.000 -14.294 0.000) 14.294 2.537 ( -0.000 -2.212 0.000) 2.212 2.840 ( -0.000 -8.908 0.000) 8.908 2.982 ( -0.000 5.776 0.000) 5.776 3.337 ( -0.000 5.220 0.000) 5.220 3.676 ( 0.000 -3.175 0.000) 3.175 3.847 ( -0.000 5.676 -0.000) 5.676 4.344 ( -0.000 -0.589 -0.000) 0.589 4.408 ( -0.000 -20.583 0.000) 20.583 4.605 ( -0.000 7.037 0.000) 7.037 4.797 ( 0.000 -25.263 0.000) 25.263 5.524 ( -0.000 -1.021 0.000) 1.021 5.600 ( -0.000 11.401 0.000) 11.401 6.060 ( -0.000 1.720 0.000) 1.720 6.404 ( -0.000 -8.518 0.000) 8.518 8.404 ( -0.000 3.510 0.000) 3.510 19.750 ( -0.000 1.615 -0.000) 1.615 19.753 ( 0.000 -2.234 0.000) 2.234 20.079 ( -0.000 -2.072 0.000) 2.072 20.319 ( -0.000 1.458 0.000) 1.458 24.791 ( -0.000 -0.203 0.000) 0.203 24.878 ( -0.000 0.896 0.000) 0.896 31.673 ( -0.000 -0.296 0.000) 0.296 31.720 ( -0.000 2.238 0.000) 2.238 41.680 ( -0.000 -16.359 0.000) 16.359 42.050 ( -0.000 -4.486 -0.000) 4.486 43.687 ( -0.000 2.953 -0.000) 2.953 44.216 ( -0.000 3.385 0.000) 3.385 ======================= Grid point 523 (242/242) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -0.000 -0.000 0.000) 0.000 2.120 ( -0.000 -0.000 0.000) 0.000 2.230 ( -0.000 -0.000 -0.000) 0.000 2.496 ( -0.000 -0.000 0.000) 0.000 2.650 ( -0.000 -0.000 0.000) 0.000 3.105 ( -0.000 -0.000 0.000) 0.000 3.475 ( -0.000 -0.000 0.000) 0.000 3.559 ( -0.000 -0.000 -0.000) 0.000 3.862 ( -0.000 -0.000 0.000) 0.000 3.952 ( -0.000 -0.000 0.000) 0.000 4.327 ( -0.000 -0.000 -0.000) 0.000 4.541 ( -0.000 -0.000 0.000) 0.000 4.727 ( 0.000 0.000 0.000) 0.000 5.508 ( -0.000 -0.000 0.000) 0.000 5.800 ( -0.000 -0.000 0.000) 0.000 6.074 ( -0.000 -0.000 0.000) 0.000 6.308 ( -0.000 -0.000 -0.000) 0.000 8.464 ( -0.000 -0.000 0.000) 0.000 19.714 ( -0.000 -0.000 -0.000) 0.000 19.802 ( -0.000 -0.000 0.000) 0.000 20.024 ( -0.000 -0.000 0.000) 0.000 20.343 ( -0.000 -0.000 0.000) 0.000 24.787 ( -0.000 -0.000 0.000) 0.000 24.893 ( -0.000 -0.000 0.000) 0.000 31.671 ( -0.000 -0.000 0.000) 0.000 31.758 ( -0.000 -0.000 0.000) 0.000 41.390 ( -0.000 -0.000 0.000) 0.000 41.975 ( -0.000 -0.000 0.000) 0.000 43.739 ( -0.000 -0.000 -0.000) 0.000 44.282 ( -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 3/25920 10.0 279.716 317.384 250.771 0.000 -1.127 0.000 3/25920 20.0 53.831 51.705 51.749 0.000 5.452 0.000 3/25920 30.0 22.066 19.993 21.194 0.000 2.509 0.000 3/25920 40.0 12.605 11.303 11.981 0.000 1.486 0.000 3/25920 50.0 8.546 7.665 8.065 0.000 1.029 0.000 3/25920 60.0 6.412 5.768 6.026 0.000 0.777 0.000 3/25920 70.0 5.130 4.633 4.808 0.000 0.620 0.000 3/25920 80.0 4.286 3.883 4.008 0.000 0.513 0.000 3/25920 90.0 3.690 3.353 3.443 0.000 0.437 0.000 3/25920 100.0 3.247 2.958 3.025 0.000 0.380 0.000 3/25920 110.0 2.905 2.651 2.701 0.000 0.336 0.000 3/25920 120.0 2.631 2.406 2.444 0.000 0.301 0.000 3/25920 130.0 2.408 2.205 2.233 0.000 0.273 0.000 3/25920 140.0 2.221 2.038 2.058 0.000 0.250 0.000 3/25920 150.0 2.063 1.896 1.910 0.000 0.231 0.000 3/25920 160.0 1.927 1.774 1.784 0.000 0.214 0.000 3/25920 170.0 1.809 1.668 1.674 0.000 0.200 0.000 3/25920 180.0 1.705 1.575 1.578 0.000 0.188 0.000 3/25920 190.0 1.613 1.493 1.493 0.000 0.178 0.000 3/25920 200.0 1.532 1.420 1.418 0.000 0.168 0.000 3/25920 210.0 1.458 1.355 1.350 0.000 0.160 0.000 3/25920 220.0 1.392 1.296 1.290 0.000 0.153 0.000 3/25920 230.0 1.333 1.242 1.235 0.000 0.147 0.000 3/25920 240.0 1.278 1.194 1.186 0.000 0.141 0.000 3/25920 250.0 1.229 1.149 1.140 0.000 0.136 0.000 3/25920 260.0 1.183 1.109 1.099 0.000 0.131 0.000 3/25920 270.0 1.141 1.071 1.061 0.000 0.127 0.000 3/25920 280.0 1.102 1.037 1.026 0.000 0.123 0.000 3/25920 290.0 1.067 1.005 0.994 0.000 0.120 0.000 3/25920 300.0 1.034 0.975 0.964 0.000 0.117 0.000 3/25920 310.0 1.003 0.948 0.937 0.000 0.114 0.000 3/25920 320.0 0.974 0.922 0.911 0.000 0.111 0.000 3/25920 330.0 0.947 0.898 0.887 0.000 0.109 0.000 3/25920 340.0 0.922 0.876 0.865 0.000 0.107 0.000 3/25920 350.0 0.899 0.855 0.844 0.000 0.105 0.000 3/25920 360.0 0.877 0.835 0.824 0.000 0.103 0.000 3/25920 370.0 0.856 0.816 0.806 0.000 0.101 0.000 3/25920 380.0 0.836 0.798 0.788 0.000 0.100 0.000 3/25920 390.0 0.817 0.782 0.772 0.000 0.098 0.000 3/25920 400.0 0.800 0.766 0.756 0.000 0.097 0.000 3/25920 410.0 0.783 0.751 0.741 0.000 0.096 0.000 3/25920 420.0 0.767 0.736 0.727 0.000 0.094 0.000 3/25920 430.0 0.752 0.722 0.714 0.000 0.093 0.000 3/25920 440.0 0.738 0.709 0.701 0.000 0.092 0.000 3/25920 450.0 0.724 0.697 0.689 0.000 0.091 0.000 3/25920 460.0 0.711 0.685 0.678 0.000 0.090 0.000 3/25920 470.0 0.698 0.673 0.667 0.000 0.089 0.000 3/25920 480.0 0.686 0.662 0.656 0.000 0.089 0.000 3/25920 490.0 0.675 0.652 0.646 0.000 0.088 0.000 3/25920 500.0 0.664 0.641 0.636 0.000 0.087 0.000 3/25920 510.0 0.653 0.632 0.627 0.000 0.086 0.000 3/25920 520.0 0.643 0.622 0.617 0.000 0.085 0.000 3/25920 530.0 0.633 0.613 0.609 0.000 0.085 0.000 3/25920 540.0 0.623 0.604 0.600 0.000 0.084 0.000 3/25920 550.0 0.614 0.595 0.592 0.000 0.083 0.000 3/25920 560.0 0.605 0.587 0.584 0.000 0.083 0.000 3/25920 570.0 0.596 0.579 0.576 0.000 0.082 0.000 3/25920 580.0 0.588 0.571 0.569 0.000 0.081 0.000 3/25920 590.0 0.580 0.564 0.562 0.000 0.080 0.000 3/25920 600.0 0.572 0.556 0.555 0.000 0.080 0.000 3/25920 610.0 0.564 0.549 0.548 0.000 0.079 0.000 3/25920 620.0 0.557 0.542 0.541 0.000 0.079 0.000 3/25920 630.0 0.550 0.535 0.535 0.000 0.078 0.000 3/25920 640.0 0.543 0.529 0.528 0.000 0.077 0.000 3/25920 650.0 0.536 0.522 0.522 0.000 0.077 0.000 3/25920 660.0 0.529 0.516 0.516 0.000 0.076 0.000 3/25920 670.0 0.523 0.510 0.511 0.000 0.076 0.000 3/25920 680.0 0.516 0.504 0.505 0.000 0.075 0.000 3/25920 690.0 0.510 0.498 0.499 0.000 0.074 0.000 3/25920 700.0 0.504 0.493 0.494 0.000 0.074 0.000 3/25920 710.0 0.498 0.487 0.489 0.000 0.073 0.000 3/25920 720.0 0.493 0.482 0.483 0.000 0.073 0.000 3/25920 730.0 0.487 0.476 0.478 0.000 0.072 0.000 3/25920 740.0 0.482 0.471 0.473 0.000 0.072 0.000 3/25920 750.0 0.476 0.466 0.469 0.000 0.071 0.000 3/25920 760.0 0.471 0.461 0.464 0.000 0.071 0.000 3/25920 770.0 0.466 0.457 0.459 0.000 0.070 0.000 3/25920 780.0 0.461 0.452 0.455 0.000 0.070 0.000 3/25920 790.0 0.456 0.447 0.450 0.000 0.069 0.000 3/25920 800.0 0.452 0.443 0.446 0.000 0.068 0.000 3/25920 810.0 0.447 0.438 0.442 0.000 0.068 0.000 3/25920 820.0 0.442 0.434 0.437 0.000 0.067 0.000 3/25920 830.0 0.438 0.430 0.433 0.000 0.067 0.000 3/25920 840.0 0.434 0.425 0.429 0.000 0.066 0.000 3/25920 850.0 0.429 0.421 0.425 0.000 0.066 0.000 3/25920 860.0 0.425 0.417 0.421 0.000 0.065 0.000 3/25920 870.0 0.421 0.413 0.418 0.000 0.065 0.000 3/25920 880.0 0.417 0.410 0.414 0.000 0.065 0.000 3/25920 890.0 0.413 0.406 0.410 0.000 0.064 0.000 3/25920 900.0 0.409 0.402 0.407 0.000 0.064 0.000 3/25920 910.0 0.405 0.398 0.403 0.000 0.063 0.000 3/25920 920.0 0.402 0.395 0.400 0.000 0.063 0.000 3/25920 930.0 0.398 0.391 0.396 0.000 0.062 0.000 3/25920 940.0 0.394 0.388 0.393 0.000 0.062 0.000 3/25920 950.0 0.391 0.384 0.389 0.000 0.061 0.000 3/25920 960.0 0.387 0.381 0.386 0.000 0.061 0.000 3/25920 970.0 0.384 0.378 0.383 0.000 0.060 0.000 3/25920 980.0 0.381 0.374 0.380 0.000 0.060 0.000 3/25920 990.0 0.377 0.371 0.377 0.000 0.060 0.000 3/25920 1000.0 0.374 0.368 0.374 0.000 0.059 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m12126.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:42:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|