----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:48:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.125940165704814 1.227412126950709 7.746642133333324 b -2.125940165704810 1.227412126950709 7.746642133333324 c 0.000000000000002 -2.454824253901422 7.746642133333324 Atomic positions (fractional): *1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 *2 Li 0.43049173637851 0.43049173637851 0.43049173637851 6.941 *3 Li 0.13767228761148 0.13767228761148 0.13767228761148 6.941 4 Li 0.56950826362149 0.56950826362149 0.56950826362149 6.941 5 Li 0.86232771238852 0.86232771238852 0.86232771238852 6.941 *6 P 0.75378999418623 0.75378999418623 0.75378999418623 30.974 7 P 0.24621000581377 0.24621000581377 0.24621000581377 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.251880331409624 0.000000000000000 0.000000000000000 b -2.125940165704812 3.682236380852132 0.000000000000000 c 0.000000000000000 0.000000000000000 23.239926399999998 Atomic positions (fractional): *1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.66666666666667 0.33333333333333 0.33333333333333 87.620 > 1 3 Sr 0.33333333333333 0.66666666666667 0.66666666666667 87.620 > 1 *4 Li 0.33333333333333 0.66666666666667 0.09715840304518 6.941 > 2 *5 Li 0.00000000000000 0.00000000000000 0.13767228761148 6.941 > 3 6 Li 0.33333333333333 0.66666666666667 0.23617493028816 6.941 > 4 7 Li 0.66666666666667 0.33333333333333 0.19566104572185 6.941 > 5 8 Li 0.00000000000000 0.00000000000000 0.43049173637851 6.941 > 2 9 Li 0.66666666666667 0.33333333333333 0.47100562094481 6.941 > 3 10 Li 0.00000000000000 0.00000000000000 0.56950826362149 6.941 > 4 11 Li 0.33333333333333 0.66666666666667 0.52899437905519 6.941 > 5 12 Li 0.66666666666667 0.33333333333333 0.76382506971184 6.941 > 2 13 Li 0.33333333333333 0.66666666666667 0.80433895427815 6.941 > 3 14 Li 0.66666666666667 0.33333333333333 0.90284159695482 6.941 > 4 15 Li 0.00000000000000 0.00000000000000 0.86232771238852 6.941 > 5 *16 P 0.66666666666667 0.33333333333333 0.08712332751956 30.974 > 6 17 P 0.00000000000000 0.00000000000000 0.24621000581377 30.974 > 7 18 P 0.33333333333333 0.66666666666667 0.42045666085289 30.974 > 6 19 P 0.66666666666667 0.33333333333333 0.57954333914711 30.974 > 7 20 P 0.00000000000000 0.00000000000000 0.75378999418623 30.974 > 6 21 P 0.33333333333333 0.66666666666667 0.91287667248044 30.974 > 7 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.503760662819248 0.000000000000000 0.000000000000000 b -4.251880331409624 7.364472761704264 0.000000000000000 c 0.000000000000000 0.000000000000000 23.239926399999998 Atomic positions (fractional): *1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 1 5 Sr 0.33333333333333 0.16666666666667 0.33333333333333 87.620 > 1 6 Sr 0.83333333333333 0.16666666666667 0.33333333333333 87.620 > 1 7 Sr 0.33333333333333 0.66666666666667 0.33333333333333 87.620 > 1 8 Sr 0.83333333333333 0.66666666666667 0.33333333333333 87.620 > 1 9 Sr 0.16666666666667 0.33333333333333 0.66666666666667 87.620 > 1 10 Sr 0.66666666666667 0.33333333333333 0.66666666666667 87.620 > 1 11 Sr 0.16666666666667 0.83333333333333 0.66666666666667 87.620 > 1 12 Sr 0.66666666666667 0.83333333333333 0.66666666666667 87.620 > 1 *13 Li 0.16666666666667 0.33333333333333 0.09715840304518 6.941 > 2 14 Li 0.66666666666667 0.33333333333333 0.09715840304518 6.941 > 2 15 Li 0.16666666666667 0.83333333333333 0.09715840304518 6.941 > 2 16 Li 0.66666666666667 0.83333333333333 0.09715840304518 6.941 > 2 *17 Li 0.00000000000000 0.00000000000000 0.13767228761148 6.941 > 3 18 Li 0.50000000000000 0.00000000000000 0.13767228761148 6.941 > 3 19 Li 0.00000000000000 0.50000000000000 0.13767228761148 6.941 > 3 20 Li 0.50000000000000 0.50000000000000 0.13767228761148 6.941 > 3 21 Li 0.16666666666667 0.33333333333333 0.23617493028816 6.941 > 4 22 Li 0.66666666666667 0.33333333333333 0.23617493028816 6.941 > 4 23 Li 0.16666666666667 0.83333333333333 0.23617493028816 6.941 > 4 24 Li 0.66666666666667 0.83333333333333 0.23617493028816 6.941 > 4 25 Li 0.33333333333333 0.16666666666667 0.19566104572185 6.941 > 5 26 Li 0.83333333333333 0.16666666666667 0.19566104572185 6.941 > 5 27 Li 0.33333333333333 0.66666666666667 0.19566104572185 6.941 > 5 28 Li 0.83333333333333 0.66666666666667 0.19566104572185 6.941 > 5 29 Li 0.00000000000000 0.00000000000000 0.43049173637851 6.941 > 2 30 Li 0.50000000000000 0.00000000000000 0.43049173637851 6.941 > 2 31 Li 0.00000000000000 0.50000000000000 0.43049173637851 6.941 > 2 32 Li 0.50000000000000 0.50000000000000 0.43049173637851 6.941 > 2 33 Li 0.33333333333333 0.16666666666667 0.47100562094481 6.941 > 3 34 Li 0.83333333333333 0.16666666666667 0.47100562094481 6.941 > 3 35 Li 0.33333333333333 0.66666666666667 0.47100562094481 6.941 > 3 36 Li 0.83333333333333 0.66666666666667 0.47100562094481 6.941 > 3 37 Li 0.00000000000000 0.00000000000000 0.56950826362149 6.941 > 4 38 Li 0.50000000000000 0.00000000000000 0.56950826362149 6.941 > 4 39 Li 0.00000000000000 0.50000000000000 0.56950826362149 6.941 > 4 40 Li 0.50000000000000 0.50000000000000 0.56950826362149 6.941 > 4 41 Li 0.16666666666667 0.33333333333333 0.52899437905519 6.941 > 5 42 Li 0.66666666666667 0.33333333333333 0.52899437905519 6.941 > 5 43 Li 0.16666666666667 0.83333333333333 0.52899437905519 6.941 > 5 44 Li 0.66666666666667 0.83333333333333 0.52899437905519 6.941 > 5 45 Li 0.33333333333333 0.16666666666667 0.76382506971184 6.941 > 2 46 Li 0.83333333333333 0.16666666666667 0.76382506971184 6.941 > 2 47 Li 0.33333333333333 0.66666666666667 0.76382506971184 6.941 > 2 48 Li 0.83333333333333 0.66666666666667 0.76382506971184 6.941 > 2 49 Li 0.16666666666667 0.33333333333333 0.80433895427815 6.941 > 3 50 Li 0.66666666666667 0.33333333333333 0.80433895427815 6.941 > 3 51 Li 0.16666666666667 0.83333333333333 0.80433895427815 6.941 > 3 52 Li 0.66666666666667 0.83333333333333 0.80433895427815 6.941 > 3 53 Li 0.33333333333333 0.16666666666667 0.90284159695482 6.941 > 4 54 Li 0.83333333333333 0.16666666666667 0.90284159695482 6.941 > 4 55 Li 0.33333333333333 0.66666666666667 0.90284159695482 6.941 > 4 56 Li 0.83333333333333 0.66666666666667 0.90284159695482 6.941 > 4 57 Li 0.00000000000000 0.00000000000000 0.86232771238852 6.941 > 5 58 Li 0.50000000000000 0.00000000000000 0.86232771238852 6.941 > 5 59 Li 0.00000000000000 0.50000000000000 0.86232771238852 6.941 > 5 60 Li 0.50000000000000 0.50000000000000 0.86232771238852 6.941 > 5 *61 P 0.33333333333333 0.16666666666667 0.08712332751956 30.974 > 6 62 P 0.83333333333333 0.16666666666667 0.08712332751956 30.974 > 6 63 P 0.33333333333333 0.66666666666667 0.08712332751956 30.974 > 6 64 P 0.83333333333333 0.66666666666667 0.08712332751956 30.974 > 6 65 P 0.00000000000000 0.00000000000000 0.24621000581377 30.974 > 7 66 P 0.50000000000000 0.00000000000000 0.24621000581377 30.974 > 7 67 P 0.00000000000000 0.50000000000000 0.24621000581377 30.974 > 7 68 P 0.50000000000000 0.50000000000000 0.24621000581377 30.974 > 7 69 P 0.16666666666667 0.33333333333333 0.42045666085289 30.974 > 6 70 P 0.66666666666667 0.33333333333333 0.42045666085289 30.974 > 6 71 P 0.16666666666667 0.83333333333333 0.42045666085289 30.974 > 6 72 P 0.66666666666667 0.83333333333333 0.42045666085289 30.974 > 6 73 P 0.33333333333333 0.16666666666667 0.57954333914711 30.974 > 7 74 P 0.83333333333333 0.16666666666667 0.57954333914711 30.974 > 7 75 P 0.33333333333333 0.66666666666667 0.57954333914711 30.974 > 7 76 P 0.83333333333333 0.66666666666667 0.57954333914711 30.974 > 7 77 P 0.00000000000000 0.00000000000000 0.75378999418623 30.974 > 6 78 P 0.50000000000000 0.00000000000000 0.75378999418623 30.974 > 6 79 P 0.00000000000000 0.50000000000000 0.75378999418623 30.974 > 6 80 P 0.50000000000000 0.50000000000000 0.75378999418623 30.974 > 6 81 P 0.16666666666667 0.33333333333333 0.91287667248044 30.974 > 7 82 P 0.66666666666667 0.33333333333333 0.91287667248044 30.974 > 7 83 P 0.16666666666667 0.83333333333333 0.91287667248044 30.974 > 7 84 P 0.66666666666667 0.83333333333333 0.91287667248044 30.974 > 7 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0909578 0.0000000 0.0000000 0.0000000 8.0909578 0.0000000 0.0000000 0.0000000 8.5546209 -------------------------- Born effective charges -------------------------- 1 Sr 2.3983216 0.0000000 0.0000000 0.0000000 2.3983216 0.0000000 0.0000000 0.0000000 2.9038486 2 Li 1.0004730 0.0000000 0.0000000 0.0000000 1.0004730 0.0000000 0.0000000 0.0000000 0.7051712 3 Li 0.8260392 0.0000000 0.0000000 0.0000000 0.8260392 0.0000000 0.0000000 0.0000000 0.9183128 4 Li 1.0004730 0.0000000 0.0000000 0.0000000 1.0004730 0.0000000 0.0000000 0.0000000 0.7051712 5 Li 0.8260392 0.0000000 0.0000000 0.0000000 0.8260392 0.0000000 0.0000000 0.0000000 0.9183128 6 P -3.0256730 -0.0000000 0.0000000 0.0000000 -3.0256730 0.0000000 0.0000000 0.0000000 -3.0754083 7 P -3.0256730 -0.0000000 0.0000000 0.0000000 -3.0256730 0.0000000 0.0000000 0.0000000 -3.0754083 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 3486/3486 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 294 Number of blocks in projector: 324 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 74 Use standard eigh solver. Tree of FC basis block matrices: - (294, 286), data: False |-- (74, 74), data: True |-- (88, 84), data: True |-- (132, 128), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 80 / 80 - Time: 0.149 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.154 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 3486/3486 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 294 Number of blocks in projector: 324 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 74 Use standard eigh solver. Tree of FC basis block matrices: - (294, 286), data: False |-- (74, 74), data: True |-- (88, 84), data: True |-- (132, 128), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:48:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:48:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.125940165704814 1.227412126950709 7.746642133333324 b -2.125940165704810 1.227412126950709 7.746642133333324 c 0.000000000000002 -2.454824253901422 7.746642133333324 Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 2 Li 0.43049173637851 0.43049173637851 0.43049173637851 6.941 3 Li 0.13767228761148 0.13767228761148 0.13767228761148 6.941 4 Li 0.56950826362149 0.56950826362149 0.56950826362149 6.941 5 Li 0.86232771238852 0.86232771238852 0.86232771238852 6.941 6 P 0.75378999418623 0.75378999418623 0.75378999418623 30.974 7 P 0.24621000581377 0.24621000581377 0.24621000581377 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.503760662819248 0.000000000000000 0.000000000000000 b -4.251880331409624 7.364472761704264 0.000000000000000 c 0.000000000000000 0.000000000000000 23.239926399999998 Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 1 5 Sr 0.33333333333333 0.16666666666667 0.33333333333333 87.620 > 1 6 Sr 0.83333333333333 0.16666666666667 0.33333333333333 87.620 > 1 7 Sr 0.33333333333333 0.66666666666667 0.33333333333333 87.620 > 1 8 Sr 0.83333333333333 0.66666666666667 0.33333333333333 87.620 > 1 9 Sr 0.16666666666667 0.33333333333333 0.66666666666667 87.620 > 1 10 Sr 0.66666666666667 0.33333333333333 0.66666666666667 87.620 > 1 11 Sr 0.16666666666667 0.83333333333333 0.66666666666667 87.620 > 1 12 Sr 0.66666666666667 0.83333333333333 0.66666666666667 87.620 > 1 13 Li 0.16666666666667 0.33333333333333 0.09715840304518 6.941 > 13 14 Li 0.66666666666667 0.33333333333333 0.09715840304518 6.941 > 13 15 Li 0.16666666666667 0.83333333333333 0.09715840304518 6.941 > 13 16 Li 0.66666666666667 0.83333333333333 0.09715840304518 6.941 > 13 17 Li 0.00000000000000 0.00000000000000 0.13767228761148 6.941 > 17 18 Li 0.50000000000000 0.00000000000000 0.13767228761148 6.941 > 17 19 Li 0.00000000000000 0.50000000000000 0.13767228761148 6.941 > 17 20 Li 0.50000000000000 0.50000000000000 0.13767228761148 6.941 > 17 21 Li 0.16666666666667 0.33333333333333 0.23617493028816 6.941 > 21 22 Li 0.66666666666667 0.33333333333333 0.23617493028816 6.941 > 21 23 Li 0.16666666666667 0.83333333333333 0.23617493028816 6.941 > 21 24 Li 0.66666666666667 0.83333333333333 0.23617493028816 6.941 > 21 25 Li 0.33333333333333 0.16666666666667 0.19566104572185 6.941 > 25 26 Li 0.83333333333333 0.16666666666667 0.19566104572185 6.941 > 25 27 Li 0.33333333333333 0.66666666666667 0.19566104572185 6.941 > 25 28 Li 0.83333333333333 0.66666666666667 0.19566104572185 6.941 > 25 29 Li 0.00000000000000 0.00000000000000 0.43049173637851 6.941 > 13 30 Li 0.50000000000000 0.00000000000000 0.43049173637851 6.941 > 13 31 Li 0.00000000000000 0.50000000000000 0.43049173637851 6.941 > 13 32 Li 0.50000000000000 0.50000000000000 0.43049173637851 6.941 > 13 33 Li 0.33333333333333 0.16666666666667 0.47100562094481 6.941 > 17 34 Li 0.83333333333333 0.16666666666667 0.47100562094481 6.941 > 17 35 Li 0.33333333333333 0.66666666666667 0.47100562094481 6.941 > 17 36 Li 0.83333333333333 0.66666666666667 0.47100562094481 6.941 > 17 37 Li 0.00000000000000 0.00000000000000 0.56950826362149 6.941 > 21 38 Li 0.50000000000000 0.00000000000000 0.56950826362149 6.941 > 21 39 Li 0.00000000000000 0.50000000000000 0.56950826362149 6.941 > 21 40 Li 0.50000000000000 0.50000000000000 0.56950826362149 6.941 > 21 41 Li 0.16666666666667 0.33333333333333 0.52899437905519 6.941 > 25 42 Li 0.66666666666667 0.33333333333333 0.52899437905519 6.941 > 25 43 Li 0.16666666666667 0.83333333333333 0.52899437905519 6.941 > 25 44 Li 0.66666666666667 0.83333333333333 0.52899437905519 6.941 > 25 45 Li 0.33333333333333 0.16666666666667 0.76382506971184 6.941 > 13 46 Li 0.83333333333333 0.16666666666667 0.76382506971184 6.941 > 13 47 Li 0.33333333333333 0.66666666666667 0.76382506971184 6.941 > 13 48 Li 0.83333333333333 0.66666666666667 0.76382506971184 6.941 > 13 49 Li 0.16666666666667 0.33333333333333 0.80433895427815 6.941 > 17 50 Li 0.66666666666667 0.33333333333333 0.80433895427815 6.941 > 17 51 Li 0.16666666666667 0.83333333333333 0.80433895427815 6.941 > 17 52 Li 0.66666666666667 0.83333333333333 0.80433895427815 6.941 > 17 53 Li 0.33333333333333 0.16666666666667 0.90284159695482 6.941 > 21 54 Li 0.83333333333333 0.16666666666667 0.90284159695482 6.941 > 21 55 Li 0.33333333333333 0.66666666666667 0.90284159695482 6.941 > 21 56 Li 0.83333333333333 0.66666666666667 0.90284159695482 6.941 > 21 57 Li 0.00000000000000 0.00000000000000 0.86232771238852 6.941 > 25 58 Li 0.50000000000000 0.00000000000000 0.86232771238852 6.941 > 25 59 Li 0.00000000000000 0.50000000000000 0.86232771238852 6.941 > 25 60 Li 0.50000000000000 0.50000000000000 0.86232771238852 6.941 > 25 61 P 0.33333333333333 0.16666666666667 0.08712332751956 30.974 > 61 62 P 0.83333333333333 0.16666666666667 0.08712332751956 30.974 > 61 63 P 0.33333333333333 0.66666666666667 0.08712332751956 30.974 > 61 64 P 0.83333333333333 0.66666666666667 0.08712332751956 30.974 > 61 65 P 0.00000000000000 0.00000000000000 0.24621000581377 30.974 > 65 66 P 0.50000000000000 0.00000000000000 0.24621000581377 30.974 > 65 67 P 0.00000000000000 0.50000000000000 0.24621000581377 30.974 > 65 68 P 0.50000000000000 0.50000000000000 0.24621000581377 30.974 > 65 69 P 0.16666666666667 0.33333333333333 0.42045666085289 30.974 > 61 70 P 0.66666666666667 0.33333333333333 0.42045666085289 30.974 > 61 71 P 0.16666666666667 0.83333333333333 0.42045666085289 30.974 > 61 72 P 0.66666666666667 0.83333333333333 0.42045666085289 30.974 > 61 73 P 0.33333333333333 0.16666666666667 0.57954333914711 30.974 > 65 74 P 0.83333333333333 0.16666666666667 0.57954333914711 30.974 > 65 75 P 0.33333333333333 0.66666666666667 0.57954333914711 30.974 > 65 76 P 0.83333333333333 0.66666666666667 0.57954333914711 30.974 > 65 77 P 0.00000000000000 0.00000000000000 0.75378999418623 30.974 > 61 78 P 0.50000000000000 0.00000000000000 0.75378999418623 30.974 > 61 79 P 0.00000000000000 0.50000000000000 0.75378999418623 30.974 > 61 80 P 0.50000000000000 0.50000000000000 0.75378999418623 30.974 > 61 81 P 0.16666666666667 0.33333333333333 0.91287667248044 30.974 > 65 82 P 0.66666666666667 0.33333333333333 0.91287667248044 30.974 > 65 83 P 0.16666666666667 0.83333333333333 0.91287667248044 30.974 > 65 84 P 0.66666666666667 0.83333333333333 0.91287667248044 30.974 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0909578 0.0000000 0.0000000 0.0000000 8.0909578 0.0000000 0.0000000 0.0000000 8.5546209 -------------------------- Born effective charges -------------------------- 1 Sr 2.3983216 0.0000000 0.0000000 0.0000000 2.3983216 0.0000000 0.0000000 0.0000000 2.9038486 2 Li 1.0004730 0.0000000 0.0000000 0.0000000 1.0004730 0.0000000 0.0000000 0.0000000 0.7051712 3 Li 0.8260392 0.0000000 0.0000000 0.0000000 0.8260392 0.0000000 0.0000000 0.0000000 0.9183128 4 Li 1.0004730 0.0000000 0.0000000 0.0000000 1.0004730 0.0000000 0.0000000 0.0000000 0.7051712 5 Li 0.8260392 0.0000000 0.0000000 0.0000000 0.8260392 0.0000000 0.0000000 0.0000000 0.9183128 6 P -3.0256730 -0.0000000 0.0000000 0.0000000 -3.0256730 0.0000000 0.0000000 0.0000000 -3.0754083 7 P -3.0256730 -0.0000000 0.0000000 0.0000000 -3.0256730 0.0000000 0.0000000 0.0000000 -3.0754083 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:48:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:48:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.125940165704814 1.227412126950709 7.746642133333324 b -2.125940165704810 1.227412126950709 7.746642133333324 c 0.000000000000002 -2.454824253901422 7.746642133333324 Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 2 Li 0.43049173637851 0.43049173637851 0.43049173637851 6.941 3 Li 0.13767228761148 0.13767228761148 0.13767228761148 6.941 4 Li 0.56950826362149 0.56950826362149 0.56950826362149 6.941 5 Li 0.86232771238852 0.86232771238852 0.86232771238852 6.941 6 P 0.75378999418623 0.75378999418623 0.75378999418623 30.974 7 P 0.24621000581377 0.24621000581377 0.24621000581377 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.503760662819248 0.000000000000000 0.000000000000000 b -4.251880331409624 7.364472761704264 0.000000000000000 c 0.000000000000000 0.000000000000000 23.239926399999998 Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 1 5 Sr 0.33333333333333 0.16666666666667 0.33333333333333 87.620 > 1 6 Sr 0.83333333333333 0.16666666666667 0.33333333333333 87.620 > 1 7 Sr 0.33333333333333 0.66666666666667 0.33333333333333 87.620 > 1 8 Sr 0.83333333333333 0.66666666666667 0.33333333333333 87.620 > 1 9 Sr 0.16666666666667 0.33333333333333 0.66666666666667 87.620 > 1 10 Sr 0.66666666666667 0.33333333333333 0.66666666666667 87.620 > 1 11 Sr 0.16666666666667 0.83333333333333 0.66666666666667 87.620 > 1 12 Sr 0.66666666666667 0.83333333333333 0.66666666666667 87.620 > 1 13 Li 0.16666666666667 0.33333333333333 0.09715840304518 6.941 > 13 14 Li 0.66666666666667 0.33333333333333 0.09715840304518 6.941 > 13 15 Li 0.16666666666667 0.83333333333333 0.09715840304518 6.941 > 13 16 Li 0.66666666666667 0.83333333333333 0.09715840304518 6.941 > 13 17 Li 0.00000000000000 0.00000000000000 0.13767228761148 6.941 > 17 18 Li 0.50000000000000 0.00000000000000 0.13767228761148 6.941 > 17 19 Li 0.00000000000000 0.50000000000000 0.13767228761148 6.941 > 17 20 Li 0.50000000000000 0.50000000000000 0.13767228761148 6.941 > 17 21 Li 0.16666666666667 0.33333333333333 0.23617493028816 6.941 > 21 22 Li 0.66666666666667 0.33333333333333 0.23617493028816 6.941 > 21 23 Li 0.16666666666667 0.83333333333333 0.23617493028816 6.941 > 21 24 Li 0.66666666666667 0.83333333333333 0.23617493028816 6.941 > 21 25 Li 0.33333333333333 0.16666666666667 0.19566104572185 6.941 > 25 26 Li 0.83333333333333 0.16666666666667 0.19566104572185 6.941 > 25 27 Li 0.33333333333333 0.66666666666667 0.19566104572185 6.941 > 25 28 Li 0.83333333333333 0.66666666666667 0.19566104572185 6.941 > 25 29 Li 0.00000000000000 0.00000000000000 0.43049173637851 6.941 > 13 30 Li 0.50000000000000 0.00000000000000 0.43049173637851 6.941 > 13 31 Li 0.00000000000000 0.50000000000000 0.43049173637851 6.941 > 13 32 Li 0.50000000000000 0.50000000000000 0.43049173637851 6.941 > 13 33 Li 0.33333333333333 0.16666666666667 0.47100562094481 6.941 > 17 34 Li 0.83333333333333 0.16666666666667 0.47100562094481 6.941 > 17 35 Li 0.33333333333333 0.66666666666667 0.47100562094481 6.941 > 17 36 Li 0.83333333333333 0.66666666666667 0.47100562094481 6.941 > 17 37 Li 0.00000000000000 0.00000000000000 0.56950826362149 6.941 > 21 38 Li 0.50000000000000 0.00000000000000 0.56950826362149 6.941 > 21 39 Li 0.00000000000000 0.50000000000000 0.56950826362149 6.941 > 21 40 Li 0.50000000000000 0.50000000000000 0.56950826362149 6.941 > 21 41 Li 0.16666666666667 0.33333333333333 0.52899437905519 6.941 > 25 42 Li 0.66666666666667 0.33333333333333 0.52899437905519 6.941 > 25 43 Li 0.16666666666667 0.83333333333333 0.52899437905519 6.941 > 25 44 Li 0.66666666666667 0.83333333333333 0.52899437905519 6.941 > 25 45 Li 0.33333333333333 0.16666666666667 0.76382506971184 6.941 > 13 46 Li 0.83333333333333 0.16666666666667 0.76382506971184 6.941 > 13 47 Li 0.33333333333333 0.66666666666667 0.76382506971184 6.941 > 13 48 Li 0.83333333333333 0.66666666666667 0.76382506971184 6.941 > 13 49 Li 0.16666666666667 0.33333333333333 0.80433895427815 6.941 > 17 50 Li 0.66666666666667 0.33333333333333 0.80433895427815 6.941 > 17 51 Li 0.16666666666667 0.83333333333333 0.80433895427815 6.941 > 17 52 Li 0.66666666666667 0.83333333333333 0.80433895427815 6.941 > 17 53 Li 0.33333333333333 0.16666666666667 0.90284159695482 6.941 > 21 54 Li 0.83333333333333 0.16666666666667 0.90284159695482 6.941 > 21 55 Li 0.33333333333333 0.66666666666667 0.90284159695482 6.941 > 21 56 Li 0.83333333333333 0.66666666666667 0.90284159695482 6.941 > 21 57 Li 0.00000000000000 0.00000000000000 0.86232771238852 6.941 > 25 58 Li 0.50000000000000 0.00000000000000 0.86232771238852 6.941 > 25 59 Li 0.00000000000000 0.50000000000000 0.86232771238852 6.941 > 25 60 Li 0.50000000000000 0.50000000000000 0.86232771238852 6.941 > 25 61 P 0.33333333333333 0.16666666666667 0.08712332751956 30.974 > 61 62 P 0.83333333333333 0.16666666666667 0.08712332751956 30.974 > 61 63 P 0.33333333333333 0.66666666666667 0.08712332751956 30.974 > 61 64 P 0.83333333333333 0.66666666666667 0.08712332751956 30.974 > 61 65 P 0.00000000000000 0.00000000000000 0.24621000581377 30.974 > 65 66 P 0.50000000000000 0.00000000000000 0.24621000581377 30.974 > 65 67 P 0.00000000000000 0.50000000000000 0.24621000581377 30.974 > 65 68 P 0.50000000000000 0.50000000000000 0.24621000581377 30.974 > 65 69 P 0.16666666666667 0.33333333333333 0.42045666085289 30.974 > 61 70 P 0.66666666666667 0.33333333333333 0.42045666085289 30.974 > 61 71 P 0.16666666666667 0.83333333333333 0.42045666085289 30.974 > 61 72 P 0.66666666666667 0.83333333333333 0.42045666085289 30.974 > 61 73 P 0.33333333333333 0.16666666666667 0.57954333914711 30.974 > 65 74 P 0.83333333333333 0.16666666666667 0.57954333914711 30.974 > 65 75 P 0.33333333333333 0.66666666666667 0.57954333914711 30.974 > 65 76 P 0.83333333333333 0.66666666666667 0.57954333914711 30.974 > 65 77 P 0.00000000000000 0.00000000000000 0.75378999418623 30.974 > 61 78 P 0.50000000000000 0.00000000000000 0.75378999418623 30.974 > 61 79 P 0.00000000000000 0.50000000000000 0.75378999418623 30.974 > 61 80 P 0.50000000000000 0.50000000000000 0.75378999418623 30.974 > 61 81 P 0.16666666666667 0.33333333333333 0.91287667248044 30.974 > 65 82 P 0.66666666666667 0.33333333333333 0.91287667248044 30.974 > 65 83 P 0.16666666666667 0.83333333333333 0.91287667248044 30.974 > 65 84 P 0.66666666666667 0.83333333333333 0.91287667248044 30.974 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.0909578 0.0000000 0.0000000 0.0000000 8.0909578 0.0000000 0.0000000 0.0000000 8.5546209 -------------------------- Born effective charges -------------------------- 1 Sr 2.3983216 0.0000000 0.0000000 0.0000000 2.3983216 0.0000000 0.0000000 0.0000000 2.9038486 2 Li 1.0004730 0.0000000 0.0000000 0.0000000 1.0004730 0.0000000 0.0000000 0.0000000 0.7051712 3 Li 0.8260392 0.0000000 0.0000000 0.0000000 0.8260392 0.0000000 0.0000000 0.0000000 0.9183128 4 Li 1.0004730 0.0000000 0.0000000 0.0000000 1.0004730 0.0000000 0.0000000 0.0000000 0.7051712 5 Li 0.8260392 0.0000000 0.0000000 0.0000000 0.8260392 0.0000000 0.0000000 0.0000000 0.9183128 6 P -3.0256730 -0.0000000 0.0000000 0.0000000 -3.0256730 0.0000000 0.0000000 0.0000000 -3.0754083 7 P -3.0256730 -0.0000000 0.0000000 0.0000000 -3.0256730 0.0000000 0.0000000 0.0000000 -3.0754083 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 14 ] 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: 0.84, Number of G-points: 313, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 288 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 3.557 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.748 ( 0.000 0.000 0.000) 0.000 6.168 ( 0.000 0.000 0.000) 0.000 7.223 ( 0.000 0.000 0.000) 0.000 8.459 ( 0.000 0.000 0.000) 0.000 8.459 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 0.000) 0.000 9.978 ( 0.000 0.000 0.000) 0.000 9.978 ( 0.000 0.000 0.000) 0.000 11.525 ( 0.000 0.000 0.000) 0.000 11.840 ( 0.000 0.000 0.000) 0.000 13.630 ( 0.000 0.000 0.000) 0.000 13.630 ( 0.000 0.000 0.000) 0.000 13.784 ( 0.000 0.000 0.000) 0.000 13.784 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 31.640 18.268 10.709) 38.072 0.799 ( 33.980 19.618 4.668) 39.513 1.276 ( 52.161 30.115 4.645) 60.409 3.592 ( 3.240 1.870 0.207) 3.746 3.948 ( 7.592 4.383 -16.709) 18.869 4.204 ( 5.033 2.906 -0.221) 5.816 4.379 ( 15.870 9.162 -7.866) 19.942 4.860 ( 0.427 0.247 43.544) 43.547 6.166 ( -0.261 -0.151 -0.479) 0.566 7.174 ( -4.476 -2.584 0.520) 5.194 8.409 ( -4.366 -2.520 -0.442) 5.060 8.706 ( -12.383 -7.150 -4.596) 15.020 9.697 ( -11.136 -6.429 -3.007) 13.206 9.955 ( -1.997 -1.153 0.526) 2.366 10.297 ( 13.077 7.550 -18.402) 23.804 11.533 ( 0.883 0.510 -2.053) 2.292 11.877 ( -1.960 -1.131 19.062) 19.195 13.628 ( -0.179 -0.103 0.137) 0.248 13.750 ( -1.850 -1.068 -2.585) 3.354 13.795 ( 0.997 0.575 0.026) 1.151 14.299 ( 1.516 0.875 -5.519) 5.790 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 28.733 16.589 10.029) 34.660 1.525 ( 29.049 16.772 4.102) 33.793 2.255 ( 32.389 18.700 1.154) 37.417 3.713 ( 7.803 4.505 0.109) 9.011 4.280 ( 25.462 14.701 -3.857) 29.653 4.356 ( 8.201 4.735 -0.173) 9.472 4.597 ( 5.470 3.158 -5.286) 8.236 5.227 ( 22.926 13.236 20.452) 33.453 6.148 ( -1.134 -0.655 -1.687) 2.136 7.028 ( -8.648 -4.993 0.423) 9.995 8.265 ( -8.223 -4.748 -0.600) 9.514 8.327 ( -18.240 -10.531 -6.224) 21.962 9.490 ( -7.524 -4.344 0.137) 8.688 9.898 ( -3.150 -1.819 0.764) 3.717 10.466 ( 6.098 3.521 -9.536) 11.854 11.541 ( 0.127 0.073 -2.485) 2.490 11.862 ( -3.979 -2.297 9.687) 10.722 13.623 ( -0.371 -0.214 0.088) 0.438 13.731 ( 1.453 0.839 -1.114) 2.014 13.825 ( 1.572 0.907 0.247) 1.832 14.297 ( -1.074 -0.620 -1.692) 2.098 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 23.899 13.798 8.911) 28.999 2.099 ( 20.773 11.993 3.106) 24.187 2.747 ( 13.828 7.983 -0.704) 15.982 3.955 ( 14.004 8.085 -0.050) 16.171 4.551 ( 8.854 5.112 -0.008) 10.224 4.602 ( 1.771 1.023 -0.243) 2.060 5.095 ( 39.910 23.042 -0.101) 46.084 5.835 ( 19.672 11.358 7.835) 24.029 6.137 ( 6.087 3.514 -1.823) 7.261 6.802 ( -11.112 -6.416 0.725) 12.852 7.919 ( -15.581 -8.996 -4.621) 18.576 8.044 ( -11.168 -6.448 -0.364) 12.901 9.334 ( -6.669 -3.850 -0.882) 7.751 9.828 ( -3.127 -1.806 0.633) 3.666 10.530 ( 1.864 1.076 -3.918) 4.470 11.501 ( -3.898 -2.251 -1.321) 4.691 11.761 ( -5.616 -3.242 2.578) 6.979 13.612 ( -0.592 -0.342 -0.057) 0.686 13.817 ( 5.798 3.348 1.153) 6.794 13.863 ( 1.633 0.943 0.545) 1.963 14.234 ( -3.961 -2.287 -1.498) 4.813 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 12.114 6.994 1.924) 14.120 2.581 ( 17.438 10.068 7.514) 21.492 2.964 ( 7.024 4.055 -0.410) 8.121 4.330 ( 18.866 10.892 -0.126) 21.785 4.640 ( 2.275 1.313 0.238) 2.638 4.737 ( 7.503 4.332 0.082) 8.665 5.827 ( -6.106 -3.526 -7.125) 10.024 6.014 ( 35.734 20.631 3.895) 41.445 6.569 ( -8.740 -5.046 0.692) 10.115 6.654 ( 27.476 15.863 4.744) 32.080 7.625 ( -9.714 -5.608 -1.666) 11.340 7.772 ( -12.852 -7.420 0.129) 14.841 9.178 ( -6.756 -3.901 -2.522) 8.199 9.768 ( -2.250 -1.299 0.301) 2.616 10.536 ( -0.802 -0.463 -0.366) 0.995 11.343 ( -9.009 -5.202 -0.776) 10.432 11.676 ( -2.254 -1.302 -0.227) 2.613 13.596 ( -0.755 -0.436 -0.161) 0.887 13.899 ( 1.330 0.768 0.720) 1.697 13.957 ( 4.758 2.747 -0.261) 5.500 14.129 ( -3.792 -2.189 0.022) 4.378 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 6.242 3.604 1.001) 7.277 2.912 ( 10.207 5.893 6.294) 13.361 3.089 ( 4.634 2.675 -0.968) 5.438 4.715 ( 4.231 2.443 1.229) 5.038 4.761 ( 18.712 10.803 -0.255) 21.608 4.880 ( 5.138 2.966 0.058) 5.933 5.576 ( -11.540 -6.663 -6.325) 14.750 6.407 ( -5.130 -2.962 0.120) 5.925 6.768 ( 27.234 15.723 2.762) 31.568 7.213 ( 18.354 10.597 2.527) 21.344 7.483 ( -12.644 -7.300 0.562) 14.611 7.489 ( -0.461 -0.266 0.452) 0.698 9.026 ( -5.632 -3.252 -3.067) 7.190 9.730 ( -1.182 -0.682 0.021) 1.365 10.486 ( -3.719 -2.147 0.641) 4.342 11.155 ( -6.563 -3.789 -0.273) 7.584 11.641 ( -1.025 -0.592 -0.289) 1.218 13.579 ( -0.728 -0.420 -0.172) 0.858 13.914 ( -5.435 -3.138 -3.831) 7.353 13.926 ( 0.876 0.506 0.667) 1.212 14.172 ( 4.690 2.708 2.941) 6.163 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 2.665 1.538 0.414) 3.105 3.080 ( 3.573 2.063 4.238) 5.915 3.175 ( 3.307 1.910 -1.454) 4.087 4.830 ( 5.233 3.021 1.869) 6.325 4.966 ( 2.528 1.459 0.057) 2.919 5.122 ( 12.482 7.206 -0.346) 14.417 5.317 ( -9.428 -5.443 -4.378) 11.733 6.323 ( -2.399 -1.385 -0.255) 2.781 7.191 ( 7.863 4.540 2.099) 9.319 7.235 ( -8.904 -5.141 0.574) 10.298 7.396 ( 5.781 3.338 0.551) 6.698 7.691 ( 10.828 6.251 0.550) 12.515 8.926 ( -2.451 -1.415 -1.749) 3.327 9.713 ( -0.421 -0.243 -0.066) 0.491 10.389 ( -4.233 -2.444 0.187) 4.892 11.061 ( -2.199 -1.269 0.378) 2.567 11.623 ( -0.536 -0.310 -0.128) 0.633 13.565 ( -0.451 -0.261 -0.106) 0.532 13.790 ( -4.076 -2.353 -2.323) 5.248 13.942 ( 0.419 0.242 0.398) 0.626 14.268 ( 2.901 1.675 1.456) 3.652 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 -0.000) 0.000 4.915 ( -0.000 -0.000 -0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.180 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 6.296 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 -0.000) 0.000 7.245 ( 0.000 0.000 -0.000) 0.000 7.497 ( 0.000 0.000 0.000) 0.000 7.816 ( 0.000 0.000 -0.000) 0.000 8.899 ( 0.000 0.000 0.000) 0.000 9.708 ( 0.000 0.000 -0.000) 0.000 10.336 ( 0.000 0.000 0.000) 0.000 11.040 ( 0.000 0.000 0.000) 0.000 11.617 ( 0.000 0.000 -0.000) 0.000 13.559 ( 0.000 0.000 0.000) 0.000 13.738 ( 0.000 0.000 -0.000) 0.000 13.947 ( 0.000 0.000 0.000) 0.000 14.303 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 16 (9/288) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -0.000 34.300 17.475) 38.495 0.817 ( -0.000 38.063 8.438) 38.987 1.312 ( -0.000 59.095 12.539) 60.410 3.565 ( 0.000 3.275 -5.500) 6.401 3.947 ( 0.000 13.526 -14.865) 20.097 4.217 ( -0.000 5.990 2.580) 6.522 4.360 ( 0.000 23.045 -7.786) 24.325 4.932 ( -0.000 -17.957 49.320) 52.488 6.165 ( 0.000 -0.318 -0.111) 0.337 7.180 ( -0.000 -5.146 1.781) 5.445 8.414 ( -0.000 -4.922 0.535) 4.951 8.690 ( 0.000 -13.512 -7.794) 15.599 9.669 ( 0.000 -9.127 -8.709) 12.615 9.950 ( 0.000 -2.494 -0.703) 2.591 10.297 ( 0.000 21.097 -16.069) 26.520 11.527 ( 0.000 0.986 -2.138) 2.354 11.911 ( -0.000 -9.052 23.226) 24.928 13.628 ( -0.000 -0.197 -0.003) 0.197 13.771 ( -0.000 -1.608 2.050) 2.605 13.795 ( 0.000 1.087 -0.039) 1.088 14.249 ( 0.000 4.525 -14.954) 15.623 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 16.723 27.652 13.943) 35.196 1.374 ( 18.066 30.327 7.453) 36.078 2.071 ( 20.309 38.597 7.582) 44.267 3.657 ( 6.341 6.733 -4.005) 10.079 4.051 ( 6.163 14.872 -1.819) 16.200 4.491 ( 12.819 9.292 -5.477) 16.753 4.556 ( -2.724 26.597 -3.786) 27.003 5.021 ( 14.678 -2.223 23.742) 28.001 6.154 ( -0.825 -0.647 -0.828) 1.336 7.084 ( -4.788 -7.247 1.840) 8.879 8.335 ( -3.363 -6.292 -1.654) 7.323 8.415 ( -10.976 -15.859 -6.869) 20.474 9.499 ( -5.328 -10.211 -0.860) 11.549 9.872 ( -2.747 -5.254 -0.267) 5.934 10.503 ( 3.962 15.801 -8.797) 18.514 11.534 ( 0.292 0.972 -2.612) 2.802 11.886 ( -0.914 -7.222 12.779) 14.707 13.658 ( 2.419 1.960 0.282) 3.126 13.715 ( -3.973 -0.383 -0.145) 3.994 13.797 ( 0.460 -0.480 0.511) 0.838 14.280 ( 2.186 0.823 -6.188) 6.614 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 18.751 19.257 9.112) 28.381 1.968 ( 18.396 22.629 7.046) 30.002 2.630 ( 12.589 16.401 2.054) 20.778 3.871 ( 9.182 12.525 -1.515) 15.604 4.427 ( 15.750 13.605 0.866) 20.830 4.607 ( 0.356 2.216 1.643) 2.782 4.927 ( 13.785 36.877 -4.750) 39.655 5.529 ( 29.960 9.756 9.807) 32.999 6.115 ( -1.778 -1.285 -2.314) 3.189 6.897 ( -8.531 -8.879 2.245) 12.516 7.996 ( -12.621 -17.976 -6.856) 23.010 8.208 ( -9.354 -1.094 -0.513) 9.432 9.323 ( -2.854 -11.597 -0.454) 11.952 9.770 ( -1.234 -8.737 0.148) 8.825 10.644 ( -1.976 14.415 -4.483) 15.225 11.529 ( -1.094 -0.105 -1.708) 2.031 11.792 ( -4.282 -9.096 5.595) 11.505 13.659 ( -3.187 2.417 0.265) 4.008 13.756 ( 5.331 2.880 0.888) 6.123 13.807 ( 2.420 -2.655 0.774) 3.675 14.272 ( -1.777 -0.556 -2.998) 3.529 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 13.769 10.635 3.649) 17.776 2.466 ( 15.347 16.726 7.761) 23.990 2.892 ( 6.876 6.561 0.465) 9.515 4.204 ( 13.189 17.485 -0.322) 21.904 4.621 ( 1.666 1.398 -0.286) 2.193 4.745 ( 4.588 15.085 0.108) 15.768 5.658 ( 28.432 29.643 -1.269) 41.094 5.922 ( -1.510 1.661 -1.160) 2.527 6.294 ( 28.695 9.252 2.390) 30.244 6.665 ( -8.929 -8.222 3.457) 12.621 7.637 ( -8.203 -15.682 -2.860) 17.927 8.011 ( -14.170 2.231 -1.399) 14.413 9.168 ( -1.741 -11.901 -2.018) 12.196 9.669 ( 1.019 -11.548 0.569) 11.607 10.700 ( -6.471 13.658 -1.186) 15.160 11.454 ( -7.501 -1.824 -0.345) 7.727 11.646 ( -1.264 -9.395 0.753) 9.510 13.639 ( -2.573 2.582 0.214) 3.651 13.824 ( 3.776 -4.289 1.138) 5.826 13.897 ( 5.890 3.773 0.813) 7.042 14.201 ( -4.565 -0.278 -1.521) 4.820 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 8.100 4.921 1.305) 9.567 2.843 ( 10.586 11.065 6.419) 16.604 3.030 ( 4.707 2.890 -0.428) 5.540 4.623 ( 14.638 18.330 -0.267) 23.460 4.681 ( 3.517 3.242 0.654) 4.828 4.929 ( 0.290 14.773 -0.509) 14.785 5.700 ( -11.196 -3.459 -6.770) 13.534 6.419 ( 7.857 2.577 0.635) 8.293 6.515 ( 15.210 12.769 4.648) 20.396 6.909 ( 26.821 8.143 2.238) 28.119 7.412 ( -1.716 -11.522 0.369) 11.655 7.775 ( -16.812 4.332 -1.544) 17.430 9.024 ( -1.535 -9.935 -3.088) 10.517 9.588 ( 3.900 -14.050 0.724) 14.599 10.676 ( -10.470 10.288 0.282) 14.682 11.281 ( -9.197 -0.018 -0.322) 9.203 11.581 ( 2.400 -8.091 0.258) 8.444 13.617 ( -2.701 1.949 0.044) 3.331 13.847 ( 3.607 -4.664 -0.014) 5.896 13.972 ( -1.449 0.483 -1.624) 2.229 14.165 ( 0.664 3.288 2.128) 3.972 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 4.350 1.665 0.392) 4.674 3.071 ( 4.015 5.973 5.955) 9.342 3.116 ( 4.499 1.239 -3.061) 5.580 4.783 ( 4.848 3.834 0.855) 6.239 5.022 ( 6.325 13.681 -0.642) 15.086 5.049 ( 2.939 15.121 -0.119) 15.404 5.454 ( -12.162 -1.115 -4.110) 12.886 6.325 ( -2.453 -5.776 0.998) 6.354 7.066 ( 17.293 12.542 2.690) 21.531 7.191 ( 4.963 -6.839 0.936) 8.502 7.496 ( 14.573 4.038 1.624) 15.209 7.540 ( -12.833 3.083 -2.407) 13.416 8.923 ( -0.217 -5.176 -2.311) 5.672 9.530 ( 6.737 -16.776 0.530) 18.086 10.553 ( -11.601 4.440 0.000) 12.422 11.186 ( -6.735 7.613 0.288) 10.169 11.553 ( 3.335 -8.167 0.524) 8.837 13.588 ( -2.077 0.536 -0.170) 2.152 13.837 ( -1.534 -1.233 -1.971) 2.785 13.920 ( -1.069 -1.546 0.440) 1.931 14.250 ( 2.874 3.124 2.027) 4.704 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 1.754 -0.307 0.052) 1.782 3.131 ( -0.019 1.249 -0.121) 1.255 3.196 ( 2.329 1.152 0.150) 2.603 4.900 ( 3.454 3.295 0.050) 4.774 5.067 ( -3.880 6.202 -0.694) 7.348 5.284 ( -8.961 6.454 -0.377) 11.050 5.303 ( 2.530 11.294 -0.187) 11.576 6.257 ( 0.686 -5.326 0.796) 5.429 7.173 ( -0.296 1.475 0.379) 1.551 7.275 ( -4.226 2.255 0.014) 4.790 7.453 ( 3.771 0.530 -0.384) 3.827 7.735 ( 8.544 -1.778 -0.320) 8.733 8.903 ( 0.470 0.079 -0.361) 0.598 9.492 ( 9.755 -19.423 0.123) 21.736 10.427 ( -6.595 3.652 -0.175) 7.541 11.174 ( -6.950 11.892 0.236) 13.776 11.538 ( 4.168 -8.242 0.545) 9.252 13.563 ( -0.667 -0.283 -0.035) 0.725 13.793 ( -3.596 3.935 -0.457) 5.350 13.910 ( 1.864 -3.601 0.469) 4.082 14.308 ( 0.656 1.473 0.763) 1.784 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( -0.739 -1.609 -0.106) 1.774 3.114 ( -2.428 0.421 -3.284) 4.106 3.202 ( -1.578 -1.388 1.038) 2.344 4.887 ( -4.863 -1.379 -2.645) 5.705 5.076 ( -3.818 7.450 1.192) 8.455 5.299 ( 0.274 10.242 2.624) 10.577 5.304 ( -10.663 3.770 0.189) 11.311 6.256 ( 4.140 -3.731 0.454) 5.591 7.165 ( -1.373 0.345 -1.244) 1.885 7.268 ( -0.706 4.554 -1.578) 4.871 7.455 ( -2.151 -2.247 0.088) 3.112 7.734 ( -2.784 -8.213 -0.428) 8.682 8.910 ( 0.267 0.033 1.280) 1.308 9.491 ( 11.922 -18.446 -0.285) 21.966 10.428 ( 0.154 7.602 -0.072) 7.604 11.172 ( -7.024 12.017 -0.123) 13.920 11.537 ( 4.970 -7.960 0.451) 9.395 13.565 ( 0.590 0.601 0.337) 0.907 13.803 ( -0.859 5.490 1.804) 5.842 13.906 ( 1.979 -3.798 -0.288) 4.293 14.302 ( -2.205 -0.125 -0.556) 2.277 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -3.959 -2.811 -0.391) 4.871 3.020 ( -7.847 -0.710 -5.396) 9.550 3.135 ( -3.759 -2.962 1.442) 4.998 4.770 ( -5.395 -1.863 -1.910) 6.019 5.028 ( -16.564 -0.005 0.701) 16.579 5.051 ( -13.576 6.873 0.192) 15.217 5.495 ( 8.453 9.521 4.643) 13.553 6.320 ( 6.250 -1.503 -0.034) 6.428 7.043 ( -19.842 -9.132 -2.266) 21.960 7.179 ( 3.773 -7.552 -1.574) 8.588 7.473 ( -10.247 -7.500 -3.117) 13.076 7.559 ( 2.139 10.327 1.423) 10.641 8.946 ( 5.076 -2.172 2.650) 6.124 9.525 ( 11.297 -14.661 -0.472) 18.514 10.551 ( 1.742 12.296 -0.404) 12.426 11.186 ( -3.145 9.956 0.283) 10.445 11.553 ( 5.488 -7.277 0.493) 9.128 13.590 ( 0.413 2.143 0.257) 2.197 13.856 ( 1.817 -1.330 1.973) 2.994 13.921 ( 2.451 1.957 0.864) 3.254 14.231 ( -4.766 -1.095 -1.927) 5.257 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -8.971 -4.601 -1.008) 10.132 2.788 ( -15.716 -2.987 -5.314) 16.857 3.035 ( -5.221 -2.996 0.540) 6.044 4.625 ( -23.679 -3.631 0.147) 23.956 4.674 ( -3.664 -1.205 -0.836) 3.946 4.934 ( -13.319 7.755 0.607) 15.424 5.755 ( 9.427 7.583 4.760) 13.001 6.417 ( -8.800 -7.107 0.325) 11.316 6.478 ( -16.249 -6.084 -3.180) 17.639 6.889 ( -22.060 -18.801 -2.199) 29.068 7.399 ( 12.290 -3.900 -2.354) 13.107 7.788 ( 4.555 17.217 1.128) 17.846 9.049 ( 9.296 -3.979 2.342) 10.379 9.582 ( 10.339 -10.648 -0.395) 14.847 10.673 ( -3.407 14.341 -0.483) 14.748 11.287 ( 4.593 8.009 1.032) 9.290 11.584 ( 5.864 -6.238 0.805) 8.599 13.617 ( -0.371 3.162 0.055) 3.185 13.844 ( 1.773 -5.856 -0.495) 6.138 13.993 ( -0.504 0.568 2.947) 3.043 14.145 ( -2.192 2.141 -2.273) 3.815 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -17.777 -7.119 -2.383) 19.298 2.411 ( -22.822 -3.923 -4.177) 23.530 2.893 ( -9.074 -3.207 0.560) 9.640 4.205 ( -21.548 -2.646 -0.123) 21.710 4.623 ( -1.623 -0.515 0.103) 1.706 4.747 ( -16.126 3.426 0.643) 16.499 5.665 ( -42.326 -9.145 0.523) 43.306 5.920 ( -1.237 -0.086 -2.261) 2.578 6.277 ( -21.740 -17.868 -0.976) 28.157 6.647 ( 12.348 3.072 -0.538) 12.736 7.650 ( 19.636 -0.234 0.008) 19.637 8.024 ( 5.006 13.458 1.394) 14.426 9.181 ( 10.795 -4.924 0.831) 11.894 9.665 ( 9.529 -6.583 -0.189) 11.583 10.711 ( -7.319 12.554 1.171) 14.579 11.459 ( 5.626 5.374 0.679) 7.810 11.644 ( 7.486 -3.978 0.465) 8.490 13.637 ( -0.908 3.295 -0.053) 3.418 13.812 ( 1.413 -5.460 -1.367) 5.803 13.895 ( -6.498 -3.275 0.201) 7.279 14.211 ( 3.284 4.070 0.675) 5.273 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -28.589 -6.461 -3.383) 29.505 1.928 ( -29.302 -4.179 -1.955) 29.663 2.624 ( -21.270 -4.091 0.603) 21.669 3.876 ( -15.083 -0.940 -0.372) 15.117 4.424 ( -20.637 -7.469 0.236) 21.948 4.596 ( -2.066 0.278 -0.354) 2.114 4.977 ( -35.917 9.174 5.923) 37.541 5.430 ( -27.589 -19.996 -11.028) 35.814 6.135 ( 1.518 0.089 1.701) 2.282 6.887 ( 12.127 2.304 0.005) 12.343 8.035 ( 23.656 2.555 1.303) 23.829 8.215 ( 5.505 6.545 1.205) 8.637 9.324 ( 11.168 -3.336 -0.148) 11.657 9.769 ( 8.182 -3.076 -0.077) 8.742 10.680 ( -9.240 7.829 3.032) 12.485 11.546 ( 1.204 1.146 1.471) 2.220 11.750 ( 7.062 -1.376 -2.782) 7.714 13.657 ( -0.598 3.855 -0.231) 3.908 13.753 ( -4.066 -2.944 0.246) 5.026 13.801 ( 0.719 -3.617 -0.505) 3.722 14.288 ( 1.873 1.764 0.455) 2.613 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -34.760 -0.000 0.000) 34.760 1.341 ( -36.601 -0.000 0.000) 36.601 2.037 ( -45.658 -0.000 0.000) 45.658 3.676 ( -8.344 -0.000 0.000) 8.344 4.059 ( -13.123 -0.000 0.000) 13.123 4.513 ( -10.613 -0.000 0.000) 10.613 4.603 ( -23.136 -0.000 0.000) 23.136 4.877 ( -15.184 -0.000 0.000) 15.184 6.160 ( 0.788 0.000 -0.000) 0.788 7.076 ( 8.694 0.000 -0.000) 8.694 8.341 ( 5.600 0.000 -0.000) 5.600 8.450 ( 21.861 0.000 -0.000) 21.861 9.504 ( 12.322 0.000 -0.000) 12.322 9.874 ( 5.987 0.000 -0.000) 5.987 10.548 ( -12.234 -0.000 0.000) 12.234 11.553 ( -0.888 -0.000 0.000) 0.888 11.816 ( 2.789 0.000 -0.000) 2.789 13.657 ( -2.916 -0.000 0.000) 2.916 13.716 ( 2.632 0.000 -0.000) 2.632 13.794 ( 0.241 0.000 -0.000) 0.241 14.311 ( 0.044 0.000 -0.000) 0.044 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -0.000 30.293 15.046) 33.823 1.551 ( -0.000 31.956 6.750) 32.661 2.331 ( -0.000 36.137 9.335) 37.323 3.651 ( 0.000 10.115 -6.023) 11.772 4.293 ( 0.000 28.438 -1.082) 28.458 4.383 ( -0.000 8.883 2.341) 9.186 4.787 ( -0.000 8.292 4.175) 9.284 4.974 ( 0.000 19.152 1.309) 19.197 6.156 ( 0.000 -0.312 -0.181) 0.361 7.054 ( -0.000 -9.159 3.084) 9.664 8.272 ( -0.000 -9.885 0.125) 9.886 8.304 ( 0.000 -19.521 -8.275) 21.202 9.477 ( 0.000 -8.212 -1.195) 8.299 9.884 ( 0.000 -3.477 -0.581) 3.525 10.534 ( 0.000 8.785 -2.930) 9.261 11.533 ( 0.000 0.857 -2.788) 2.917 11.865 ( -0.000 -6.000 9.612) 11.331 13.624 ( -0.000 -0.271 0.220) 0.349 13.766 ( -0.000 0.173 2.547) 2.552 13.821 ( 0.000 1.577 -0.216) 1.592 14.238 ( 0.000 1.234 -7.269) 7.373 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 8.108 24.230 9.583) 27.289 1.969 ( 11.381 25.419 7.378) 28.812 2.679 ( 4.490 19.221 5.536) 20.500 3.838 ( 8.944 14.874 -3.417) 17.690 4.444 ( 2.311 19.277 1.698) 19.489 4.629 ( 1.563 6.164 3.371) 7.198 5.056 ( 18.658 25.271 -1.110) 31.432 5.279 ( 8.413 25.766 -2.140) 27.189 6.140 ( -2.043 0.611 -0.531) 2.198 6.927 ( -4.839 -10.406 4.213) 12.226 7.967 ( -9.683 -20.090 -7.810) 23.630 8.234 ( 2.719 -8.246 0.159) 8.684 9.313 ( -8.243 -8.530 -0.969) 11.902 9.768 ( -6.410 -5.249 0.063) 8.285 10.691 ( 8.049 6.272 -1.871) 10.374 11.527 ( -0.049 -0.729 -2.018) 2.146 11.798 ( -4.118 -7.083 6.218) 10.285 13.655 ( 3.271 -0.921 0.106) 3.400 13.778 ( -0.556 2.095 2.288) 3.152 13.796 ( -3.131 2.909 0.048) 4.274 14.249 ( 1.809 -0.812 -4.273) 4.711 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 9.269 15.037 4.577) 18.248 2.416 ( 13.207 18.258 5.895) 23.293 2.888 ( 3.325 9.195 3.420) 10.358 4.184 ( 11.913 20.075 -0.419) 23.348 4.606 ( 1.713 2.272 -1.361) 3.155 4.815 ( 7.709 18.071 1.672) 19.717 5.615 ( 12.199 31.241 -5.587) 34.000 5.797 ( 26.255 15.801 2.014) 30.709 6.112 ( -1.632 5.987 -0.316) 6.213 6.731 ( -7.679 -10.136 5.603) 13.895 7.595 ( -8.418 -18.391 -5.374) 20.928 8.190 ( -3.129 -1.461 -0.074) 3.454 9.073 ( -6.511 -12.578 -2.029) 14.307 9.610 ( -4.760 -7.849 0.560) 9.196 10.856 ( 3.296 8.006 -1.134) 8.732 11.505 ( -0.210 -2.272 -0.596) 2.358 11.621 ( -8.443 -9.490 2.397) 12.926 13.689 ( 0.640 0.879 0.519) 1.205 13.752 ( -0.134 -2.989 0.723) 3.078 13.869 ( 2.818 7.003 1.854) 7.773 14.233 ( -0.916 -1.723 -2.425) 3.113 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 6.952 7.612 1.562) 10.427 2.780 ( 11.374 10.727 1.990) 15.761 3.016 ( 2.333 6.092 3.910) 7.605 4.596 ( 11.190 19.094 -0.681) 22.142 4.664 ( 4.245 6.259 0.829) 7.608 5.085 ( 2.228 18.179 -2.311) 18.461 5.829 ( -6.003 2.042 -6.279) 8.923 6.242 ( 17.969 12.661 1.892) 22.063 6.490 ( 10.432 12.621 1.556) 16.448 6.601 ( 10.963 3.735 5.829) 12.965 7.324 ( -3.248 -14.167 -1.961) 14.666 8.080 ( -12.206 4.891 -0.907) 13.180 8.864 ( 0.506 -17.281 -3.110) 17.565 9.462 ( -2.820 -9.844 1.033) 10.292 10.930 ( -5.346 9.112 -0.043) 10.565 11.388 ( -5.770 -10.694 -0.423) 12.159 11.478 ( -0.729 -1.497 1.020) 1.952 13.680 ( -2.544 0.079 0.289) 2.561 13.751 ( 2.816 -2.308 0.792) 3.726 13.983 ( 1.845 4.692 0.393) 5.057 14.193 ( -0.871 -0.235 -0.044) 0.903 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 4.447 2.721 0.025) 5.213 3.006 ( 7.984 2.906 -3.766) 9.293 3.120 ( 1.153 6.293 6.181) 8.896 4.741 ( 4.807 4.030 -0.799) 6.323 5.040 ( 10.457 22.348 1.505) 24.719 5.218 ( -2.849 12.202 -3.492) 13.007 5.684 ( -12.310 7.900 -2.682) 14.871 6.310 ( -2.385 -7.587 3.577) 8.721 6.871 ( 20.840 11.242 4.041) 24.022 7.037 ( 12.407 6.950 -0.350) 14.226 7.244 ( 10.127 -4.757 -1.111) 11.243 7.865 ( -18.338 5.184 -1.520) 19.117 8.756 ( 7.237 -15.653 -2.902) 17.488 9.328 ( -1.002 -12.342 1.256) 12.446 10.812 ( -14.353 2.913 -0.022) 14.646 11.288 ( 3.405 -6.270 -1.282) 7.249 11.463 ( -2.360 2.872 2.346) 4.395 13.627 ( -2.618 -1.509 -0.307) 3.037 13.783 ( 2.866 -1.982 0.628) 3.541 13.987 ( -4.185 2.670 -0.941) 5.053 14.234 ( 3.102 2.244 1.918) 4.282 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 2.756 -0.272 -0.479) 2.811 3.100 ( 3.938 0.057 -5.025) 6.385 3.203 ( 0.236 3.983 4.750) 6.204 4.868 ( 4.924 4.742 -0.846) 6.889 5.192 ( -5.306 3.229 -2.526) 6.706 5.395 ( 4.594 19.245 0.811) 19.802 5.596 ( -12.712 17.791 0.242) 21.867 6.210 ( -1.989 -6.775 3.374) 7.825 7.127 ( 6.430 0.524 0.259) 6.456 7.276 ( 10.420 7.002 2.472) 12.795 7.469 ( 8.966 -3.760 -5.145) 11.000 7.600 ( -11.109 1.342 0.553) 11.203 8.795 ( 11.547 -7.937 -1.556) 14.098 9.186 ( 0.393 -17.052 1.110) 17.093 10.598 ( -11.121 1.123 -0.288) 11.181 11.307 ( 6.298 -7.895 -1.106) 10.160 11.467 ( -5.939 10.133 2.427) 11.994 13.573 ( -1.501 -1.567 -0.055) 2.171 13.807 ( 2.945 -3.429 0.251) 4.527 13.938 ( -5.173 4.888 -0.007) 7.116 14.305 ( 1.980 1.443 1.197) 2.727 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 1.212 -1.625 -0.259) 2.043 3.126 ( 0.805 0.297 -4.563) 4.643 3.226 ( -1.654 0.654 2.708) 3.240 4.940 ( -1.856 1.735 -3.003) 3.934 5.153 ( 0.100 3.692 1.504) 3.988 5.541 ( -7.903 12.570 0.304) 14.851 5.580 ( -11.611 20.917 1.052) 23.946 6.151 ( 1.944 -5.693 2.138) 6.384 7.265 ( -9.963 -2.970 -3.297) 10.907 7.294 ( 4.965 9.907 -0.056) 11.082 7.422 ( 2.248 -2.075 0.458) 3.093 7.627 ( 4.955 -8.575 -0.373) 9.911 8.923 ( 1.339 1.463 0.515) 2.049 9.046 ( 12.646 -25.237 -0.209) 28.229 10.505 ( -2.725 4.961 -0.109) 5.661 11.327 ( 7.457 -11.445 -0.134) 13.661 11.462 ( -9.522 14.200 0.910) 17.121 13.556 ( 0.602 -0.418 0.888) 1.151 13.815 ( 2.963 -5.486 -0.173) 6.238 13.920 ( -4.079 7.621 0.869) 8.688 14.326 ( -0.631 -0.043 0.138) 0.648 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -1.345 -1.950 0.025) 2.369 3.104 ( -2.831 1.313 -5.381) 6.220 3.177 ( -4.102 -2.222 2.736) 5.409 4.849 ( -6.296 -0.824 -2.403) 6.789 5.244 ( -0.025 7.375 2.556) 7.806 5.389 ( -18.417 4.702 0.184) 19.009 5.609 ( -7.774 19.296 1.543) 20.860 6.183 ( 6.002 -3.493 0.377) 6.954 7.100 ( -2.894 -5.068 -2.321) 6.281 7.230 ( -12.173 -6.882 -2.456) 14.198 7.513 ( -6.324 -12.609 -0.418) 14.113 7.606 ( 8.214 15.759 1.271) 17.816 8.826 ( 2.054 -14.034 1.589) 14.273 9.168 ( 14.573 -8.967 -0.736) 17.126 10.600 ( 4.495 10.183 -0.138) 11.132 11.332 ( 6.256 -12.048 1.353) 13.643 11.434 ( -8.525 12.533 -0.758) 15.176 13.587 ( 1.928 1.074 1.314) 2.569 13.800 ( 1.911 -5.656 -0.565) 5.996 13.956 ( -1.111 7.526 1.864) 7.832 14.284 ( -3.288 -1.435 -0.996) 3.724 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( -5.526 -2.117 -0.101) 5.918 2.990 ( -10.957 0.741 -4.646) 11.924 3.087 ( -3.885 -2.802 1.884) 5.148 4.734 ( -5.276 -0.856 -1.136) 5.464 5.026 ( -24.675 0.822 0.090) 24.689 5.271 ( -10.930 10.820 1.942) 15.502 5.736 ( 2.892 13.184 2.246) 13.683 6.271 ( 8.375 -3.531 -0.528) 9.104 6.807 ( -21.792 -12.812 -2.621) 25.415 7.036 ( -9.741 -6.262 -0.350) 11.586 7.230 ( -4.042 -9.728 -2.225) 10.767 7.894 ( 4.644 18.353 1.346) 18.979 8.797 ( 10.640 -14.717 1.134) 18.196 9.312 ( 11.205 -5.169 -0.296) 12.344 10.805 ( 4.304 13.687 -0.657) 14.363 11.319 ( 3.655 -6.563 1.827) 7.731 11.436 ( -0.528 3.768 -0.443) 3.830 13.638 ( 1.604 2.077 0.832) 2.752 13.769 ( 0.844 -4.916 -0.871) 5.064 14.026 ( 0.181 4.866 3.107) 5.776 14.194 ( -3.920 -1.598 -2.272) 4.804 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -11.872 -2.069 -0.429) 12.058 2.730 ( -18.354 -0.760 -2.161) 18.496 2.993 ( -5.616 -1.330 0.325) 5.781 4.596 ( -25.632 -0.185 0.018) 25.633 4.656 ( -3.209 -0.351 -0.279) 3.240 5.117 ( -18.604 7.329 1.113) 20.026 5.911 ( 3.584 6.059 0.884) 7.095 6.212 ( -23.976 -7.560 -0.901) 25.156 6.460 ( 2.904 0.243 -0.321) 2.932 6.544 ( -25.840 -12.361 -0.799) 28.655 7.329 ( 15.625 -1.680 -1.224) 15.762 8.099 ( 1.807 11.440 1.100) 11.634 8.898 ( 14.443 -8.964 0.229) 17.000 9.452 ( 10.109 -2.525 -0.019) 10.419 10.927 ( -4.311 9.616 -0.365) 10.544 11.396 ( 9.946 -1.134 0.442) 10.021 11.477 ( 3.532 -0.974 0.884) 3.769 13.680 ( 0.224 2.621 0.252) 2.642 13.734 ( 0.995 -3.927 -0.865) 4.143 13.989 ( -7.016 -1.083 0.962) 7.164 14.189 ( 3.065 1.875 -0.402) 3.616 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -20.991 -0.000 0.000) 20.991 2.361 ( -24.273 -0.000 0.000) 24.273 2.861 ( -10.049 -0.000 0.000) 10.049 4.187 ( -22.083 -0.000 0.000) 22.083 4.618 ( -1.357 -0.000 0.000) 1.357 4.792 ( -23.556 -0.000 0.000) 23.556 5.699 ( -35.307 -0.000 0.000) 35.307 5.749 ( -28.148 -0.000 0.000) 28.148 6.120 ( -1.859 -0.000 0.000) 1.859 6.676 ( 13.679 0.000 -0.000) 13.679 7.647 ( 22.430 0.000 -0.000) 22.430 8.188 ( 2.626 0.000 -0.000) 2.626 9.094 ( 13.412 0.000 -0.000) 13.412 9.604 ( 9.469 0.000 -0.000) 9.469 10.867 ( -7.556 -0.000 0.000) 7.556 11.522 ( 2.713 0.000 -0.000) 2.713 11.588 ( 10.784 0.000 -0.000) 10.784 13.684 ( -0.830 -0.000 0.000) 0.830 13.744 ( 2.262 0.000 -0.000) 2.262 13.852 ( -7.676 -0.000 0.000) 7.676 14.257 ( 3.158 0.000 -0.000) 3.158 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -0.000 22.174 3.971) 22.527 2.131 ( -0.000 23.360 10.508) 25.615 2.830 ( -0.000 13.661 5.759) 14.825 3.903 ( 0.000 18.762 -3.192) 19.031 4.574 ( -0.000 9.398 1.285) 9.486 4.675 ( -0.000 -0.942 3.189) 3.325 5.156 ( -0.000 42.015 3.709) 42.178 5.509 ( 0.000 27.877 -11.467) 30.143 6.194 ( -0.000 7.107 0.860) 7.159 6.879 ( -0.000 -11.160 5.976) 12.660 7.880 ( 0.000 -18.392 -7.386) 19.819 8.036 ( -0.000 -13.920 -0.856) 13.946 9.321 ( 0.000 -7.114 -1.478) 7.266 9.818 ( -0.000 -3.017 0.074) 3.018 10.604 ( -0.000 -0.201 0.469) 0.510 11.503 ( 0.000 -3.290 -1.280) 3.531 11.804 ( -0.000 -4.628 5.114) 6.897 13.618 ( -0.000 -0.630 0.286) 0.692 13.823 ( -0.000 4.406 1.560) 4.674 13.852 ( 0.000 1.783 -0.130) 1.788 14.206 ( 0.000 -1.177 -3.005) 3.227 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 3.217 15.792 3.519) 16.496 2.429 ( 7.329 17.140 4.899) 19.274 2.962 ( 0.732 9.207 5.735) 10.872 4.189 ( 10.211 21.912 -0.842) 24.189 4.611 ( -0.853 1.627 -1.629) 2.455 4.799 ( 10.516 8.490 1.753) 13.629 5.661 ( 7.998 17.351 -5.086) 19.771 5.746 ( 7.584 33.837 -1.917) 34.730 6.295 ( -3.141 19.897 0.433) 20.148 6.754 ( -4.433 -10.544 7.858) 13.877 7.555 ( -10.087 -17.083 -6.398) 20.845 8.035 ( 10.904 -11.882 -1.002) 16.158 9.157 ( -10.681 -6.442 -2.033) 12.638 9.674 ( -9.905 -4.636 0.690) 10.958 10.728 ( 12.498 -1.325 -0.067) 12.568 11.462 ( 0.682 -5.247 -0.344) 5.302 11.710 ( -7.570 -4.751 3.320) 9.534 13.643 ( 3.371 -0.746 0.408) 3.477 13.790 ( -4.911 1.066 -0.052) 5.025 13.923 ( 1.602 6.925 1.623) 7.290 14.197 ( 1.131 -2.596 -1.527) 3.217 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 3.689 9.260 1.559) 10.089 2.702 ( 8.691 9.037 -0.922) 12.571 3.080 ( 1.000 8.269 7.151) 10.978 4.591 ( 7.568 13.330 -2.080) 15.469 4.656 ( 7.895 11.791 0.932) 14.221 5.112 ( 12.094 11.551 -1.939) 16.836 5.787 ( 7.714 -2.137 -6.423) 10.263 6.209 ( 3.599 23.172 0.186) 23.451 6.540 ( 5.841 26.555 1.822) 27.251 6.612 ( -4.381 -1.778 8.312) 9.563 7.251 ( -5.687 -13.402 -4.362) 15.198 8.113 ( 8.909 -7.182 -0.443) 11.452 8.846 ( -16.059 -8.046 -3.180) 18.241 9.471 ( -7.326 -7.113 1.107) 10.271 10.915 ( 10.480 -2.059 -0.356) 10.686 11.403 ( -5.664 -5.825 -0.068) 8.125 11.524 ( -5.622 -2.810 1.954) 6.582 13.697 ( 2.491 -1.719 0.701) 3.107 13.722 ( -3.030 0.962 0.177) 3.184 14.024 ( 1.074 7.375 1.287) 7.563 14.178 ( 0.561 -2.826 -0.376) 2.906 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 2.636 3.839 -0.337) 4.669 2.886 ( 7.614 2.963 -4.871) 9.512 3.194 ( 0.535 7.171 7.398) 10.317 4.693 ( 4.665 3.581 -2.631) 6.443 5.085 ( 12.507 23.454 2.838) 26.732 5.307 ( 1.311 5.522 -5.395) 7.830 5.894 ( 3.536 7.172 -2.881) 8.499 6.286 ( -3.304 -2.250 6.116) 7.307 6.691 ( 9.328 9.723 3.708) 13.975 6.971 ( 10.306 20.249 0.548) 22.727 7.093 ( 1.004 -6.581 -2.910) 7.266 8.160 ( -2.688 1.994 0.024) 3.347 8.491 ( -7.371 -16.881 -4.224) 18.898 9.296 ( -5.232 -8.359 1.233) 9.938 11.019 ( 4.212 -2.805 -0.045) 5.061 11.132 ( -12.250 -9.583 -0.607) 15.565 11.546 ( 2.233 5.183 1.955) 5.972 13.648 ( -2.794 -1.579 -0.833) 3.315 13.741 ( 1.168 -1.160 1.778) 2.423 14.077 ( -2.085 4.421 -0.921) 4.975 14.197 ( 3.310 0.631 1.952) 3.894 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 2.036 0.010 -1.411) 2.477 2.999 ( 5.930 0.678 -5.471) 8.096 3.269 ( -0.883 4.410 5.449) 7.065 4.819 ( 5.979 4.824 -2.108) 7.966 5.273 ( -3.827 -0.811 -4.139) 5.696 5.504 ( 8.408 22.733 2.980) 24.421 5.981 ( -8.298 19.272 -0.615) 20.991 6.214 ( -2.767 -4.999 6.281) 8.491 6.981 ( 12.075 3.028 0.851) 12.478 7.112 ( 11.487 -1.254 -0.349) 11.561 7.289 ( 7.334 8.462 -1.826) 11.346 7.936 ( -22.652 2.662 -1.745) 22.874 8.401 ( 15.574 -18.450 -1.974) 24.225 9.132 ( -4.954 -8.780 1.094) 10.140 10.818 ( -14.735 -1.515 -0.436) 14.819 11.067 ( 7.778 -11.657 -0.142) 14.014 11.655 ( -0.295 10.962 1.851) 11.121 13.585 ( -2.278 -1.700 -0.703) 2.928 13.738 ( 0.957 -3.616 1.444) 4.010 14.069 ( -3.581 5.518 -0.409) 6.591 14.274 ( 3.333 0.813 1.430) 3.717 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 2.112 -1.575 -1.098) 2.855 3.069 ( 3.891 0.093 -4.621) 6.042 3.284 ( -2.370 1.906 3.301) 4.489 4.952 ( 3.555 4.988 -2.665) 6.680 5.185 ( -2.524 -1.755 -0.911) 3.207 5.787 ( -1.907 19.081 2.482) 19.336 5.998 ( -10.910 18.226 1.509) 21.296 6.135 ( -4.307 -0.439 2.831) 5.173 7.192 ( 11.175 4.017 0.044) 11.875 7.296 ( 7.745 -8.773 -3.486) 12.211 7.395 ( 2.249 3.472 0.427) 4.159 7.603 ( -14.837 0.495 -0.906) 14.873 8.521 ( 18.645 -19.610 -0.997) 27.077 8.974 ( -4.801 -5.213 0.836) 7.136 10.627 ( -7.487 2.589 -0.288) 7.927 11.078 ( 7.453 -12.249 0.177) 14.339 11.731 ( -5.258 12.386 1.002) 13.493 13.547 ( -0.228 -1.103 0.486) 1.226 13.720 ( 1.665 -4.943 0.338) 5.227 14.067 ( -3.985 7.112 0.378) 8.161 14.318 ( 1.313 -0.653 0.483) 1.544 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 1.301 -1.456 -0.259) 1.970 3.103 ( 1.473 0.174 -3.489) 3.792 3.248 ( -4.134 0.179 1.900) 4.554 4.945 ( -5.842 0.798 -2.528) 6.415 5.226 ( 6.122 2.459 1.245) 6.714 5.758 ( -16.972 8.293 0.542) 18.898 5.987 ( -8.226 12.488 2.082) 15.098 6.129 ( -2.975 8.381 1.078) 8.959 7.132 ( -6.749 -7.275 -3.069) 10.387 7.305 ( -6.383 -9.290 -2.307) 11.505 7.437 ( 3.808 -4.079 2.010) 5.931 7.621 ( 7.873 16.718 0.200) 18.480 8.532 ( 9.204 -26.177 -0.318) 27.750 8.964 ( 5.778 1.625 0.268) 6.008 10.630 ( 1.712 7.974 -0.117) 8.156 11.083 ( 7.375 -12.739 0.444) 14.727 11.716 ( -9.524 10.098 0.111) 13.881 13.564 ( 2.144 0.485 1.685) 2.770 13.703 ( 2.229 -5.162 -0.868) 5.689 14.077 ( -3.323 7.199 1.012) 7.993 14.304 ( -1.394 -2.142 -0.387) 2.584 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -1.619 -0.815 0.071) 1.813 3.100 ( -1.374 0.959 -3.232) 3.641 3.156 ( -7.097 -1.308 2.091) 7.514 4.828 ( -6.803 -0.260 -0.948) 6.873 5.366 ( 4.466 3.334 1.353) 5.735 5.458 ( -22.794 1.740 -0.044) 22.860 5.992 ( -8.272 15.276 1.202) 17.413 6.138 ( -0.112 -1.191 -0.141) 1.205 6.939 ( -10.215 -9.219 -1.284) 13.820 7.078 ( -4.693 -4.482 -2.026) 6.798 7.332 ( -10.855 -4.606 0.594) 11.807 7.980 ( 8.414 20.898 1.083) 22.555 8.431 ( 10.324 -22.817 -0.270) 25.046 9.114 ( 9.594 -0.100 0.028) 9.594 10.818 ( 8.067 12.203 -0.393) 14.634 11.082 ( 7.331 -13.341 0.739) 15.241 11.623 ( -10.014 5.573 -0.121) 11.461 13.623 ( 2.277 1.749 1.917) 3.452 13.693 ( 2.604 -4.071 -1.595) 5.089 14.102 ( -1.611 5.731 1.664) 6.182 14.230 ( -3.859 -3.202 -1.268) 5.172 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -6.252 -0.000 0.000) 6.252 2.985 ( -12.597 -0.000 0.000) 12.597 3.062 ( -3.369 -0.000 0.000) 3.369 4.722 ( -5.188 -0.000 0.000) 5.188 5.039 ( -26.254 -0.000 0.000) 26.254 5.395 ( -6.923 -0.000 0.000) 6.923 5.953 ( -4.944 -0.000 0.000) 4.944 6.188 ( 8.017 0.000 -0.000) 8.017 6.630 ( -17.391 -0.000 0.000) 17.391 6.962 ( -21.881 -0.000 0.000) 21.881 7.131 ( 4.026 0.000 -0.000) 4.026 8.159 ( -0.193 -0.000 0.000) 0.193 8.561 ( 18.252 0.000 -0.000) 18.252 9.274 ( 9.795 0.000 -0.000) 9.795 11.021 ( 0.234 0.000 -0.000) 0.234 11.141 ( 14.442 0.000 -0.000) 14.442 11.513 ( -5.370 -0.000 0.000) 5.370 13.669 ( 1.807 0.000 -0.000) 1.807 13.705 ( 1.120 0.000 -0.000) 1.120 14.108 ( -6.689 -0.000 0.000) 6.689 14.148 ( 1.900 0.000 -0.000) 1.900 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -0.000 13.129 1.724) 13.242 2.530 ( -0.000 12.976 3.015) 13.322 3.064 ( -0.000 8.651 7.382) 11.372 4.313 ( 0.000 23.507 -0.759) 23.519 4.630 ( 0.000 -1.907 -2.280) 2.972 4.754 ( -0.000 8.410 0.722) 8.441 5.674 ( 0.000 1.525 -9.883) 9.999 6.070 ( -0.000 41.382 4.363) 41.612 6.556 ( 0.000 26.965 -1.955) 27.036 6.723 ( -0.000 -8.753 9.897) 13.213 7.524 ( 0.000 -13.147 -6.967) 14.879 7.739 ( -0.000 -15.582 -1.179) 15.627 9.184 ( 0.000 -5.870 -1.895) 6.168 9.770 ( -0.000 -2.195 0.368) 2.225 10.557 ( -0.000 -4.440 0.399) 4.457 11.386 ( -0.000 -7.984 0.557) 8.003 11.755 ( -0.000 -3.082 2.965) 4.277 13.601 ( -0.000 -1.184 0.005) 1.184 13.889 ( -0.000 1.872 0.328) 1.900 13.938 ( 0.000 6.252 -0.893) 6.315 14.164 ( -0.000 -2.078 1.384) 2.497 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 0.733 8.868 1.157) 8.974 2.671 ( 4.072 7.319 -1.475) 8.504 3.175 ( 0.365 8.445 8.444) 11.948 4.597 ( 1.418 4.821 -3.570) 6.165 4.646 ( 9.699 18.807 0.183) 21.162 4.955 ( 13.053 6.987 0.023) 14.806 5.642 ( 2.292 -5.050 -7.935) 9.681 6.466 ( 0.143 30.189 2.137) 30.265 6.629 ( -2.757 -4.125 9.947) 11.116 6.827 ( -0.906 27.762 -0.767) 27.788 7.249 ( -9.892 -9.920 -5.157) 14.928 7.776 ( 15.110 -13.371 -1.589) 20.240 9.043 ( -10.294 -3.838 -2.183) 11.200 9.596 ( -13.594 -3.962 0.828) 14.184 10.654 ( 13.255 -5.879 -0.236) 14.502 11.342 ( 3.733 -6.422 0.858) 7.477 11.653 ( -9.184 -2.961 2.038) 9.862 13.624 ( 3.687 -1.389 0.194) 3.945 13.826 ( -6.321 2.449 -0.182) 6.781 14.045 ( 3.898 3.344 -1.752) 5.427 14.155 ( -0.347 -0.224 3.465) 3.489 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 0.287 3.914 -0.692) 3.985 2.794 ( 5.293 3.694 -3.695) 7.437 3.281 ( 0.056 6.768 7.613) 10.186 4.641 ( 3.703 2.615 -3.848) 5.946 5.077 ( 14.544 20.921 1.893) 25.550 5.242 ( 10.191 3.676 -3.554) 11.402 5.676 ( 13.384 -4.110 -3.505) 14.433 6.450 ( -9.316 -1.521 8.898) 12.972 6.788 ( 0.376 19.801 1.473) 19.859 7.015 ( -2.250 -0.337 -1.207) 2.575 7.118 ( 0.218 18.623 -2.722) 18.822 7.894 ( 14.424 -14.077 -1.366) 20.201 8.753 ( -20.793 0.383 -2.524) 20.949 9.340 ( -9.606 -7.337 1.221) 12.149 10.777 ( 9.875 -10.340 -0.443) 14.305 11.350 ( -8.704 0.157 -0.551) 8.723 11.494 ( 2.496 -1.850 2.636) 4.075 13.665 ( 1.476 -1.463 0.026) 2.079 13.754 ( -4.237 1.595 0.535) 4.558 14.086 ( 2.157 -1.994 -1.739) 3.414 14.196 ( 0.605 4.871 3.278) 5.902 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 0.141 0.165 -2.198) 2.209 2.899 ( 5.340 1.844 -3.811) 6.814 3.345 ( -1.185 4.025 5.329) 6.782 4.749 ( 6.328 3.891 -2.930) 7.985 5.278 ( -0.936 -3.226 -4.385) 5.523 5.531 ( 14.731 19.821 3.067) 24.885 5.996 ( 20.003 3.830 -1.955) 20.460 6.312 ( -8.793 -0.721 9.066) 12.650 6.944 ( -1.072 13.715 0.837) 13.782 6.992 ( 3.112 0.619 -2.344) 3.945 7.313 ( 2.006 12.316 -1.040) 12.522 7.961 ( 13.194 -19.630 -2.085) 23.744 8.376 ( -25.070 5.275 -1.628) 25.670 9.142 ( -5.541 -8.366 0.993) 10.083 10.795 ( 6.325 -12.555 -0.488) 14.067 11.101 ( -15.533 0.505 -0.016) 15.541 11.665 ( 9.217 5.218 1.768) 10.738 13.629 ( -3.910 0.357 -1.398) 4.168 13.713 ( -1.128 -2.729 2.129) 3.641 14.115 ( 2.738 0.572 -0.917) 2.944 14.255 ( 0.457 3.335 1.962) 3.896 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 1.193 -1.243 -1.830) 2.514 2.985 ( 4.743 0.674 -3.127) 5.721 3.354 ( -2.442 1.818 2.984) 4.263 4.900 ( 7.192 4.774 -2.206) 8.910 5.195 ( -2.787 -4.207 -2.036) 5.441 5.943 ( 8.588 19.076 4.304) 21.358 6.183 ( -6.530 -1.920 6.421) 9.357 6.283 ( 4.634 9.900 -3.667) 11.530 7.049 ( 4.964 1.175 1.008) 5.200 7.104 ( 5.982 3.839 -2.349) 7.486 7.406 ( 1.325 4.565 -0.094) 4.754 7.887 ( -7.310 -9.183 -2.786) 12.064 8.110 ( -1.155 -6.835 0.023) 6.932 8.997 ( -3.734 -5.511 0.571) 6.682 10.750 ( -1.404 -4.603 -0.628) 4.853 10.912 ( -4.071 -3.964 0.409) 5.697 11.848 ( 3.770 7.151 1.094) 8.158 13.561 ( -3.066 -0.374 -0.611) 3.149 13.674 ( -0.448 -3.323 1.195) 3.559 14.166 ( 0.306 4.088 -0.123) 4.102 14.286 ( 0.838 -0.157 0.818) 1.181 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 2.302 -0.892 -0.619) 2.545 3.052 ( 3.565 0.122 -1.767) 3.981 3.321 ( -3.470 0.532 1.197) 3.709 5.030 ( -0.885 4.502 -2.354) 5.156 5.127 ( 3.934 -3.645 0.717) 5.410 6.056 ( -8.517 0.777 1.679) 8.715 6.123 ( -6.850 7.856 3.327) 10.941 6.394 ( -2.789 13.034 -1.676) 13.435 7.087 ( 1.543 -8.057 -1.484) 8.336 7.191 ( 6.129 -3.051 0.042) 6.847 7.487 ( -4.397 2.962 -0.246) 5.307 7.708 ( -3.400 13.060 0.052) 13.496 8.098 ( 12.568 -21.341 -0.662) 24.775 8.931 ( -0.101 -0.702 0.253) 0.753 10.707 ( -2.730 5.817 -0.283) 6.432 10.865 ( 5.024 -9.465 0.316) 10.720 11.911 ( -3.874 4.975 0.321) 6.313 13.537 ( 0.999 -0.246 0.467) 1.130 13.644 ( 0.033 -2.379 -0.049) 2.379 14.194 ( -2.689 5.242 0.449) 5.909 14.285 ( 0.653 -2.778 -0.107) 2.856 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 1.502 0.000 -0.000) 1.502 3.094 ( 1.596 0.000 -0.000) 1.596 3.256 ( -4.889 -0.000 0.000) 4.889 4.945 ( -7.120 -0.000 0.000) 7.120 5.254 ( 8.700 0.000 -0.000) 8.700 5.837 ( -19.210 -0.000 0.000) 19.210 6.055 ( -2.119 -0.000 0.000) 2.119 6.353 ( -11.112 -0.000 0.000) 11.112 7.017 ( -4.223 -0.000 0.000) 4.223 7.150 ( -7.459 -0.000 0.000) 7.459 7.412 ( -1.752 -0.000 0.000) 1.752 7.961 ( 13.890 0.000 -0.000) 13.890 8.107 ( 6.115 0.000 -0.000) 6.115 8.982 ( 5.925 0.000 -0.000) 5.925 10.769 ( 5.054 0.000 -0.000) 5.054 10.897 ( 5.526 0.000 -0.000) 5.526 11.820 ( -9.345 -0.000 0.000) 9.345 13.588 ( 4.255 0.000 -0.000) 4.255 13.632 ( 0.348 0.000 -0.000) 0.348 14.175 ( -2.844 -0.000 0.000) 2.844 14.259 ( -1.798 -0.000 0.000) 1.798 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -0.000 7.326 0.799) 7.369 2.690 ( 0.000 4.542 -2.077) 4.994 3.278 ( -0.000 7.631 8.442) 11.380 4.593 ( 0.000 0.245 -4.247) 4.254 4.754 ( 0.000 21.061 -0.346) 21.064 4.904 ( -0.000 6.528 0.554) 6.551 5.544 ( 0.000 -6.933 -6.988) 9.844 6.624 ( -0.000 -4.720 9.126) 10.274 6.746 ( 0.000 21.186 1.009) 21.210 7.093 ( 0.000 24.845 -2.389) 24.960 7.338 ( 0.000 0.965 -3.364) 3.500 7.440 ( -0.000 -14.053 -0.445) 14.060 9.075 ( 0.000 -4.100 -1.512) 4.370 9.735 ( -0.000 -1.529 0.144) 1.536 10.454 ( -0.000 -5.838 -0.144) 5.840 11.230 ( -0.000 -7.881 1.254) 7.980 11.719 ( -0.000 -2.034 1.681) 2.639 13.574 ( 0.000 -1.369 -0.271) 1.396 13.926 ( -0.000 1.620 0.672) 1.754 13.994 ( 0.000 0.156 -3.021) 3.025 14.187 ( -0.000 2.925 4.382) 5.268 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -1.194 2.786 -1.405) 3.341 2.758 ( 2.655 4.112 -1.285) 5.061 3.366 ( -0.237 5.702 6.941) 8.986 4.601 ( 1.963 1.580 -4.045) 4.766 5.044 ( 11.313 17.411 -0.066) 20.764 5.065 ( 11.129 4.463 -0.193) 11.992 5.476 ( 3.219 -6.728 -4.583) 8.754 6.567 ( -4.806 -3.765 9.532) 11.319 6.891 ( 2.039 6.030 -4.726) 7.928 7.164 ( -8.488 7.258 1.863) 11.323 7.315 ( -0.973 16.956 -2.831) 17.218 7.552 ( 11.113 -5.293 -0.231) 12.311 8.986 ( -6.705 -0.870 -1.433) 6.912 9.528 ( -17.846 -3.435 0.509) 18.181 10.517 ( 10.247 -7.296 -0.389) 12.585 11.249 ( 9.333 -3.547 0.963) 10.031 11.617 ( -9.952 -1.753 1.198) 10.176 13.597 ( 3.707 -1.233 -0.040) 3.907 13.872 ( -5.878 2.257 -0.174) 6.299 14.014 ( 2.277 -2.987 -0.966) 3.878 14.242 ( 0.825 4.337 2.981) 5.327 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -1.617 0.351 -2.071) 2.651 2.837 ( 3.480 2.344 -1.471) 4.446 3.416 ( -1.214 3.187 4.427) 5.588 4.671 ( 5.261 2.407 -2.859) 6.453 5.223 ( 3.125 -2.138 -2.801) 4.710 5.427 ( 16.279 13.186 1.034) 20.974 5.620 ( 21.190 -0.657 -1.013) 21.224 6.463 ( -7.294 -1.786 8.102) 11.047 6.951 ( 3.687 3.199 -3.617) 6.075 7.163 ( -4.985 10.892 1.015) 12.022 7.424 ( -0.510 9.175 -2.076) 9.421 7.617 ( 5.536 -10.408 -0.440) 11.796 8.820 ( -17.476 7.331 -1.489) 19.010 9.189 ( -12.674 -9.213 1.057) 15.704 10.579 ( 6.829 -8.294 -0.330) 10.748 11.365 ( -12.710 1.114 -0.820) 12.785 11.486 ( 12.736 -0.577 2.171) 12.933 13.643 ( 2.099 -0.774 -0.063) 2.238 13.783 ( -6.970 0.988 0.358) 7.049 14.032 ( 4.255 -2.184 -0.464) 4.805 14.299 ( 0.145 3.414 1.581) 3.766 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -0.824 -0.511 -1.372) 1.680 2.912 ( 4.026 0.830 -1.172) 4.275 3.416 ( -2.251 1.173 1.905) 3.174 4.799 ( 7.775 2.183 -1.383) 8.193 5.191 ( -1.479 -2.649 -1.449) 3.362 5.859 ( 19.458 11.447 2.742) 22.742 6.004 ( 22.712 -2.236 -2.252) 22.933 6.340 ( -8.061 -0.646 4.164) 9.096 7.080 ( 3.752 7.783 0.875) 8.685 7.153 ( -5.566 5.651 -1.853) 8.146 7.454 ( -3.150 3.345 -0.736) 4.653 7.587 ( 9.208 -14.393 -0.896) 17.110 8.495 ( -27.219 5.486 -0.539) 27.772 8.995 ( -2.593 -5.877 0.463) 6.440 10.615 ( 5.902 -5.000 -0.202) 7.738 11.107 ( -15.324 0.153 0.014) 15.325 11.748 ( 13.133 2.154 0.703) 13.327 13.640 ( -3.661 1.703 -1.833) 4.434 13.672 ( -3.714 -2.658 2.123) 5.037 14.113 ( 6.169 -0.117 -0.216) 6.174 14.316 ( -1.470 1.544 0.643) 2.227 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 1.104 0.000 -0.000) 1.104 2.983 ( 4.216 0.000 -0.000) 4.216 3.380 ( -2.933 -0.000 0.000) 2.933 4.952 ( 8.945 0.000 -0.000) 8.945 5.132 ( -3.543 -0.000 0.000) 3.543 6.169 ( -2.222 -0.000 0.000) 2.222 6.240 ( 0.363 0.000 -0.000) 0.363 6.301 ( 17.344 0.000 -0.000) 17.344 7.059 ( -3.956 -0.000 0.000) 3.956 7.152 ( -1.842 -0.000 0.000) 1.842 7.490 ( 4.986 0.000 -0.000) 4.986 7.700 ( 13.783 0.000 -0.000) 13.783 8.073 ( -23.802 -0.000 0.000) 23.802 8.941 ( -1.495 -0.000 0.000) 1.495 10.693 ( 6.272 0.000 -0.000) 6.272 10.882 ( -11.009 -0.000 0.000) 11.009 11.923 ( 5.386 0.000 -0.000) 5.386 13.557 ( -3.777 -0.000 0.000) 3.777 13.642 ( -0.733 -0.000 0.000) 0.733 14.210 ( 4.679 0.000 -0.000) 4.679 14.284 ( -2.968 -0.000 0.000) 2.968 ======================= Grid point 92 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 0.000 1.342 -2.033) 2.436 2.773 ( -0.000 3.364 0.389) 3.386 3.436 ( -0.000 3.975 5.170) 6.522 4.585 ( 0.000 1.180 -3.263) 3.469 4.995 ( -0.000 3.630 0.594) 3.678 5.099 ( 0.000 12.707 -0.817) 12.733 5.378 ( 0.000 -5.785 -3.411) 6.716 6.603 ( -0.000 -2.620 7.536) 7.978 6.879 ( 0.000 0.003 -5.722) 5.722 7.212 ( -0.000 -8.822 0.329) 8.828 7.420 ( 0.000 12.038 0.093) 12.038 7.576 ( 0.000 14.694 0.261) 14.697 9.009 ( 0.000 -2.042 -0.677) 2.151 9.712 ( 0.000 -0.850 -0.075) 0.854 10.347 ( -0.000 -4.476 -0.249) 4.482 11.118 ( -0.000 -4.178 0.881) 4.270 11.697 ( -0.000 -1.072 0.761) 1.315 13.549 ( 0.000 -0.910 -0.254) 0.944 13.956 ( 0.000 -1.630 -1.082) 1.957 13.956 ( -0.000 0.837 0.463) 0.957 14.276 ( -0.000 3.094 2.218) 3.807 ======================= Grid point 93 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -1.813 0.421 -1.114) 2.169 2.812 ( 1.639 1.533 -0.126) 2.248 3.470 ( -0.846 1.840 2.584) 3.283 4.611 ( 2.825 1.005 -1.766) 3.480 5.110 ( 8.243 0.868 -0.295) 8.294 5.289 ( 10.935 6.946 -0.261) 12.957 5.363 ( 6.198 -2.655 -1.187) 6.847 6.566 ( -4.191 -1.211 4.553) 6.306 6.893 ( 3.981 0.873 -3.248) 5.212 7.180 ( 3.475 -4.267 0.087) 5.504 7.486 ( -2.727 5.429 -0.013) 6.076 7.656 ( -3.727 6.352 0.054) 7.365 8.983 ( -1.348 0.559 -0.428) 1.521 9.476 ( -22.580 -1.795 0.144) 22.651 10.403 ( 7.413 -3.394 -0.180) 8.155 11.213 ( 13.439 -0.873 0.384) 13.473 11.599 ( -10.232 -0.586 0.402) 10.257 13.580 ( 3.796 -0.472 -0.047) 3.825 13.907 ( -5.318 1.445 -0.314) 5.520 13.959 ( 1.539 -2.039 0.134) 2.558 14.316 ( 1.034 1.744 0.982) 2.253 ======================= Grid point 94 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -2.263 -0.000 0.000) 2.263 2.857 ( 2.856 0.000 -0.000) 2.856 3.460 ( -1.744 -0.000 0.000) 1.744 4.688 ( 5.966 0.000 -0.000) 5.966 5.184 ( 0.967 0.000 -0.000) 0.967 5.587 ( 20.811 0.000 -0.000) 20.811 5.590 ( 19.465 0.000 -0.000) 19.465 6.473 ( -6.897 -0.000 0.000) 6.897 7.011 ( 8.294 0.000 -0.000) 8.294 7.215 ( 1.852 0.000 -0.000) 1.852 7.453 ( -2.156 -0.000 0.000) 2.156 7.582 ( -7.489 -0.000 0.000) 7.489 8.979 ( -0.554 -0.000 0.000) 0.554 9.014 ( -28.960 -0.000 0.000) 28.960 10.493 ( 5.839 0.000 -0.000) 5.839 11.373 ( -15.445 -0.000 0.000) 15.445 11.489 ( 17.648 0.000 -0.000) 17.648 13.635 ( 2.340 0.000 -0.000) 2.340 13.794 ( -8.227 -0.000 0.000) 8.227 14.008 ( 5.277 0.000 -0.000) 5.277 14.338 ( 0.036 0.000 -0.000) 0.036 ======================= Grid point 109 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -0.000 0.000 0.000) 0.000 2.807 ( -0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 -0.000) 0.000 4.589 ( -0.000 0.000 0.000) 0.000 5.031 ( 0.000 0.000 0.000) 0.000 5.225 ( -0.000 0.000 0.000) 0.000 5.307 ( -0.000 0.000 0.000) 0.000 6.603 ( -0.000 0.000 0.000) 0.000 6.849 ( -0.000 0.000 0.000) 0.000 7.124 ( -0.000 0.000 0.000) 0.000 7.544 ( -0.000 0.000 0.000) 0.000 7.727 ( -0.000 0.000 0.000) 0.000 8.987 ( -0.000 0.000 0.000) 0.000 9.703 ( -0.000 0.000 0.000) 0.000 10.299 ( -0.000 0.000 0.000) 0.000 11.080 ( -0.000 0.000 0.000) 0.000 11.688 ( -0.000 0.000 0.000) 0.000 13.539 ( -0.000 0.000 0.000) 0.000 13.933 ( 0.000 0.000 -0.000) 0.000 13.967 ( 0.000 0.000 -0.000) 0.000 14.315 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 218 (58/288) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( -0.000 0.000 34.697) 34.697 0.322 ( -0.000 0.000 34.697) 34.697 0.585 ( -0.000 0.000 63.241) 63.241 3.527 ( 0.000 -0.000 -6.253) 6.253 3.527 ( 0.000 -0.000 -6.253) 6.253 4.160 ( -0.000 0.000 2.947) 2.947 4.160 ( -0.000 0.000 2.947) 2.947 6.087 ( 0.000 -0.000 -16.408) 16.408 6.704 ( -0.000 0.000 8.137) 8.137 7.411 ( -0.000 0.000 0.144) 0.144 8.460 ( -0.000 0.000 0.246) 0.246 8.460 ( -0.000 0.000 0.246) 0.246 8.855 ( 0.000 -0.000 -0.187) 0.187 9.976 ( 0.000 -0.000 -0.298) 0.298 9.976 ( 0.000 -0.000 -0.298) 0.298 11.530 ( -0.000 0.000 1.164) 1.164 12.737 ( 0.000 -0.000 -0.029) 0.029 13.631 ( -0.000 0.000 0.093) 0.093 13.631 ( -0.000 0.000 0.093) 0.093 13.784 ( -0.000 0.000 0.004) 0.004 13.784 ( -0.000 0.000 0.004) 0.004 ======================= Grid point 219 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 29.886 17.255 15.458) 37.813 0.946 ( 26.614 15.366 26.085) 40.309 1.404 ( 43.837 25.310 23.509) 55.812 3.568 ( 4.350 2.512 -5.319) 7.316 3.766 ( 16.012 9.245 -18.161) 25.917 4.214 ( 4.451 2.570 2.301) 5.631 4.348 ( 13.160 7.598 0.295) 15.198 5.344 ( -22.941 -13.245 45.175) 52.369 6.175 ( -2.615 -1.510 5.369) 6.160 7.190 ( -5.281 -3.049 2.770) 6.697 8.406 ( -4.568 -2.638 -0.265) 5.282 8.608 ( -10.981 -6.340 -15.753) 20.222 9.616 ( 2.885 1.666 -13.231) 13.644 9.959 ( -1.765 -1.019 0.249) 2.053 10.095 ( 18.001 10.393 -17.804) 27.369 11.522 ( -0.182 -0.105 0.272) 0.344 12.122 ( -14.171 -8.182 27.035) 31.602 13.630 ( -0.165 -0.095 0.243) 0.309 13.724 ( -1.536 -0.887 -2.841) 3.349 13.795 ( 1.041 0.601 0.007) 1.202 14.187 ( 10.617 6.129 -15.076) 19.431 ======================= Grid point 220 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 27.271 15.745 8.648) 32.656 1.608 ( 25.794 14.892 19.317) 35.500 2.293 ( 28.659 16.546 7.260) 33.879 3.697 ( 8.670 5.005 -3.473) 10.596 4.237 ( 30.608 17.671 -4.825) 35.670 4.361 ( 7.841 4.527 1.332) 9.152 4.575 ( 5.582 3.223 -0.505) 6.466 5.407 ( 15.382 8.881 16.796) 24.445 6.136 ( -2.153 -1.243 -0.009) 2.487 7.041 ( -8.835 -5.101 2.373) 10.475 8.239 ( -16.445 -9.494 -12.500) 22.734 8.259 ( -8.259 -4.768 -0.678) 9.561 9.488 ( -7.324 -4.229 -0.419) 8.468 9.904 ( -3.077 -1.776 0.628) 3.608 10.371 ( 9.754 5.632 -10.218) 15.208 11.524 ( 0.043 0.025 -0.813) 0.815 11.963 ( -8.424 -4.864 11.232) 14.858 13.624 ( -0.439 -0.254 0.225) 0.555 13.725 ( 2.522 1.456 -0.073) 2.913 13.827 ( 1.699 0.981 0.195) 1.971 14.262 ( 0.642 0.371 -5.480) 5.529 ======================= Grid point 221 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 19.630 11.333 4.814) 23.172 2.198 ( 21.904 12.647 13.986) 28.902 2.749 ( 13.040 7.529 1.408) 15.123 3.948 ( 14.531 8.390 -1.614) 16.857 4.554 ( 8.699 5.022 0.697) 10.069 4.602 ( 1.511 0.873 -0.139) 1.751 5.101 ( 40.967 23.653 1.372) 47.325 5.870 ( 11.807 6.817 -0.555) 13.645 6.142 ( 10.847 6.262 3.153) 12.916 6.819 ( -11.075 -6.394 3.134) 13.166 7.860 ( -13.585 -7.843 -8.137) 17.671 8.039 ( -11.001 -6.351 -0.738) 12.724 9.322 ( -7.293 -4.210 -1.692) 8.589 9.834 ( -3.218 -1.858 0.659) 3.774 10.497 ( 3.810 2.200 -3.217) 5.450 11.493 ( -3.575 -2.064 -0.402) 4.148 11.790 ( -7.955 -4.593 3.462) 9.816 13.612 ( -0.678 -0.391 0.064) 0.785 13.831 ( 6.034 3.483 2.004) 7.249 13.868 ( 1.756 1.014 0.493) 2.086 14.213 ( -3.377 -1.950 -3.084) 4.971 ======================= Grid point 222 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 11.444 6.607 2.293) 13.412 2.662 ( 16.076 9.282 9.738) 20.962 2.962 ( 6.736 3.889 0.095) 7.778 4.327 ( 19.013 10.977 -0.509) 21.960 4.641 ( 2.578 1.489 -0.231) 2.986 4.740 ( 7.435 4.293 0.441) 8.596 5.749 ( -4.568 -2.638 -9.337) 10.724 6.058 ( 33.569 19.381 5.318) 39.125 6.571 ( -4.195 -2.422 -0.279) 4.852 6.708 ( 21.944 12.669 6.804) 26.236 7.598 ( -8.131 -4.694 -4.198) 10.284 7.771 ( -12.572 -7.258 -0.413) 14.523 9.152 ( -7.095 -4.096 -3.032) 8.735 9.771 ( -2.405 -1.388 0.404) 2.806 10.534 ( -0.043 -0.025 -0.015) 0.052 11.339 ( -9.038 -5.218 -0.060) 10.436 11.680 ( -2.698 -1.558 1.012) 3.276 13.595 ( -0.808 -0.466 -0.116) 0.940 13.906 ( 1.373 0.793 0.713) 1.739 13.953 ( 2.217 1.280 -0.509) 2.610 14.131 ( -1.339 -0.773 0.456) 1.612 ======================= Grid point 223 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 5.911 3.413 0.993) 6.898 2.975 ( 9.595 5.540 7.035) 13.124 3.075 ( 3.851 2.223 -1.955) 4.857 4.722 ( 4.625 2.670 0.205) 5.345 4.758 ( 18.659 10.773 -0.402) 21.549 4.882 ( 5.082 2.934 0.395) 5.882 5.517 ( -10.537 -6.084 -6.223) 13.667 6.411 ( -5.262 -3.038 0.742) 6.121 6.799 ( 26.302 15.185 3.843) 30.613 7.234 ( 17.524 10.118 2.156) 20.350 7.480 ( 0.389 0.224 -2.498) 2.538 7.486 ( -12.426 -7.174 0.073) 14.348 8.999 ( -5.302 -3.061 -2.616) 6.658 9.731 ( -1.286 -0.743 0.093) 1.488 10.490 ( -3.811 -2.200 0.263) 4.408 11.157 ( -6.331 -3.655 0.554) 7.332 11.644 ( -1.140 -0.658 0.872) 1.579 13.577 ( -0.729 -0.421 -0.240) 0.876 13.884 ( -5.161 -2.980 -2.598) 6.501 13.933 ( 0.813 0.469 0.736) 1.193 14.198 ( 4.268 2.464 2.814) 5.675 ======================= Grid point 224 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 2.479 1.431 0.391) 2.889 3.112 ( 1.232 0.711 1.240) 1.888 3.159 ( 4.557 2.631 -0.397) 5.276 4.838 ( 5.209 3.008 -0.313) 6.023 4.968 ( 2.478 1.430 0.347) 2.882 5.118 ( 12.517 7.227 -0.569) 14.464 5.286 ( -8.199 -4.734 -2.130) 9.704 6.324 ( -2.512 -1.450 0.642) 2.971 7.205 ( 6.827 3.942 1.028) 7.950 7.239 ( -8.937 -5.160 0.323) 10.324 7.397 ( 5.850 3.377 -0.520) 6.775 7.690 ( 10.834 6.255 -0.737) 12.532 8.914 ( -1.761 -1.017 -0.620) 2.125 9.712 ( -0.432 -0.249 -0.073) 0.504 10.389 ( -4.322 -2.495 -0.284) 4.998 11.066 ( -2.310 -1.334 0.785) 2.781 11.627 ( -0.639 -0.369 0.903) 1.166 13.563 ( -0.406 -0.235 -0.276) 0.544 13.776 ( -3.388 -1.956 -0.538) 3.949 13.947 ( 0.266 0.154 0.550) 0.630 14.282 ( 2.295 1.325 1.578) 3.084 ======================= Grid point 225 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -0.157 -0.090 0.020) 0.182 3.108 ( -1.107 -0.639 -3.424) 3.655 3.216 ( 0.309 0.178 1.121) 1.176 4.899 ( -0.942 -0.544 -3.400) 3.570 4.996 ( -0.066 -0.038 0.329) 0.338 5.197 ( 1.879 1.085 3.559) 4.168 5.268 ( 0.243 0.140 -0.409) 0.496 6.300 ( 0.038 0.022 0.959) 0.960 7.128 ( -0.287 -0.166 -0.044) 0.334 7.232 ( -0.633 -0.366 -2.671) 2.769 7.497 ( -0.147 -0.085 0.030) 0.172 7.813 ( 0.011 0.007 -0.756) 0.757 8.904 ( 0.470 0.271 1.040) 1.173 9.708 ( 0.045 0.026 -0.051) 0.073 10.334 ( 0.037 0.022 -0.362) 0.364 11.041 ( -0.276 -0.159 0.200) 0.376 11.622 ( -0.087 -0.050 0.944) 0.949 13.558 ( 0.074 0.043 -0.220) 0.236 13.747 ( 0.732 0.423 1.947) 2.123 13.948 ( -0.196 -0.113 0.216) 0.313 14.304 ( -0.612 -0.353 0.220) 0.740 ======================= Grid point 226 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -2.858 -1.650 -0.353) 3.319 3.037 ( -4.366 -2.521 -5.386) 7.377 3.185 ( -3.146 -1.817 1.213) 3.830 4.806 ( -4.756 -2.746 -3.078) 6.296 4.967 ( -2.622 -1.514 0.222) 3.036 5.124 ( -12.317 -7.111 0.077) 14.223 5.362 ( 9.904 5.718 5.092) 12.519 6.329 ( 2.222 1.283 1.077) 2.783 7.167 ( -7.457 -4.305 -3.156) 9.171 7.229 ( 8.752 5.053 -0.713) 10.131 7.389 ( -6.479 -3.741 -0.766) 7.521 7.679 ( -11.234 -6.486 -1.928) 13.114 8.945 ( 3.005 1.735 2.425) 4.234 9.713 ( 0.443 0.256 0.047) 0.513 10.386 ( 4.099 2.366 -0.629) 4.774 11.060 ( 2.276 1.314 0.206) 2.636 11.629 ( 0.473 0.273 1.045) 1.179 13.565 ( 0.530 0.306 -0.090) 0.618 13.818 ( 4.564 2.635 3.786) 6.489 13.940 ( -0.600 -0.346 -0.161) 0.711 14.256 ( -3.553 -2.051 -1.177) 4.268 ======================= Grid point 227 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -6.521 -3.765 -0.805) 7.573 2.859 ( -10.440 -6.027 -5.347) 13.187 3.095 ( -4.894 -2.825 0.652) 5.688 4.702 ( -3.649 -2.107 -1.616) 4.513 4.763 ( -18.673 -10.781 0.049) 21.561 4.881 ( -5.270 -3.043 0.298) 6.093 5.628 ( 11.736 6.776 4.657) 14.330 6.409 ( 4.902 2.830 0.741) 5.709 6.749 ( -27.589 -15.929 -1.429) 31.889 7.189 ( -19.130 -11.045 -2.668) 22.250 7.474 ( 1.377 0.795 -2.557) 3.011 7.476 ( 12.768 7.372 -0.942) 14.774 9.054 ( 5.622 3.246 2.715) 7.036 9.730 ( 1.114 0.643 0.056) 1.287 10.479 ( 3.811 2.200 -0.869) 4.485 11.162 ( 6.821 3.938 1.169) 7.962 11.649 ( 0.982 0.567 1.263) 1.698 13.580 ( 0.780 0.450 0.065) 0.903 13.921 ( -0.987 -0.570 -0.461) 1.229 13.954 ( 5.624 3.247 4.654) 7.990 14.145 ( -5.375 -3.103 -2.820) 6.817 ======================= Grid point 228 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -12.479 -7.204 -1.165) 14.456 2.527 ( -17.896 -10.332 -4.146) 21.077 2.969 ( -6.827 -3.942 0.748) 7.919 4.329 ( -18.980 -10.958 -0.259) 21.918 4.639 ( -1.769 -1.022 0.104) 2.046 4.738 ( -7.510 -4.336 0.271) 8.676 5.867 ( 7.242 4.181 0.675) 8.389 5.992 ( -38.370 -22.153 -0.365) 44.308 6.564 ( 6.906 3.987 0.150) 7.975 6.620 ( -25.814 -14.904 -2.652) 29.926 7.629 ( 11.034 6.371 -0.626) 12.757 7.769 ( 13.134 7.583 -0.646) 15.180 9.196 ( 6.272 3.621 1.381) 7.373 9.766 ( 2.094 1.209 -0.135) 2.422 10.540 ( 1.777 1.026 0.608) 2.140 11.353 ( 8.848 5.109 1.342) 10.305 11.684 ( 1.888 1.090 1.414) 2.599 13.598 ( 0.754 0.435 0.175) 0.888 13.893 ( -1.338 -0.773 -0.585) 1.652 13.957 ( -6.671 -3.851 -0.151) 7.704 14.131 ( 5.270 3.043 0.524) 6.108 ======================= Grid point 229 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -24.476 -14.131 -1.875) 28.325 2.081 ( -21.111 -12.189 -0.774) 24.390 2.760 ( -13.684 -7.901 2.154) 15.947 3.949 ( -14.176 -8.185 -1.436) 16.432 4.554 ( -8.775 -5.066 0.665) 10.155 4.612 ( -1.828 -1.055 2.073) 2.959 5.103 ( -38.250 -22.084 1.692) 44.200 5.740 ( -23.949 -13.827 -12.017) 30.152 6.161 ( -4.618 -2.666 2.817) 6.031 6.806 ( 10.941 6.317 1.683) 12.746 7.944 ( 16.712 9.649 0.609) 19.307 8.046 ( 11.437 6.603 -0.084) 13.207 9.338 ( 6.234 3.599 -0.114) 7.199 9.822 ( 2.975 1.717 -0.478) 3.468 10.565 ( -0.224 -0.129 3.510) 3.520 11.513 ( 4.299 2.482 0.865) 5.038 11.748 ( 3.474 2.005 -0.043) 4.011 13.613 ( 0.534 0.308 0.174) 0.640 13.810 ( -5.323 -3.073 -0.227) 6.150 13.858 ( -1.546 -0.892 -0.495) 1.852 14.240 ( 3.761 2.172 -0.315) 4.355 ======================= Grid point 230 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -29.099 -16.800 3.375) 33.770 1.512 ( -29.220 -16.870 1.412) 33.770 2.269 ( -33.246 -19.195 4.158) 38.614 3.696 ( -7.856 -4.536 -3.483) 9.717 4.299 ( -22.500 -12.990 0.261) 25.982 4.364 ( -8.126 -4.692 1.548) 9.510 4.684 ( -3.126 -1.805 12.962) 13.455 5.056 ( -27.582 -15.924 -15.516) 35.427 6.158 ( 0.571 0.329 0.257) 0.707 7.033 ( 8.346 4.819 1.474) 9.749 8.270 ( 8.330 4.809 0.404) 9.627 8.349 ( 18.405 10.626 -1.367) 21.296 9.486 ( 7.490 4.324 -0.726) 8.679 9.891 ( 3.128 1.806 -0.748) 3.688 10.531 ( -4.728 -2.730 3.864) 6.688 11.554 ( -0.168 -0.097 -0.584) 0.616 11.812 ( 2.094 1.209 0.315) 2.438 13.623 ( 0.299 0.172 0.071) 0.352 13.745 ( -0.620 -0.358 1.961) 2.088 13.823 ( -1.454 -0.839 -0.255) 1.698 14.289 ( 1.036 0.598 -3.411) 3.614 ======================= Grid point 233 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -0.000 32.037 18.042) 36.768 1.013 ( -0.000 28.896 26.598) 39.274 1.510 ( -0.000 47.410 30.340) 56.287 3.495 ( 0.000 3.686 -9.378) 10.077 3.795 ( 0.000 23.034 -15.389) 27.702 4.248 ( -0.000 5.670 3.767) 6.807 4.333 ( 0.000 17.251 0.374) 17.255 5.358 ( -0.000 -39.272 31.749) 50.500 6.197 ( -0.000 -5.885 9.742) 11.381 7.205 ( -0.000 -5.892 3.469) 6.838 8.419 ( -0.000 -4.944 0.523) 4.971 8.573 ( 0.000 -10.549 -16.537) 19.615 9.557 ( 0.000 8.743 -13.433) 16.028 9.943 ( 0.000 -2.563 -0.741) 2.668 10.143 ( 0.000 25.287 -13.101) 28.479 11.522 ( -0.000 -0.854 0.910) 1.248 12.151 ( -0.000 -22.313 24.061) 32.815 13.628 ( -0.000 -0.164 0.133) 0.211 13.788 ( -0.000 -0.571 1.489) 1.595 13.795 ( 0.000 1.022 -0.046) 1.023 14.084 ( 0.000 13.942 -17.865) 22.661 ======================= Grid point 234 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 15.755 26.583 12.591) 33.368 1.508 ( 15.682 24.272 21.334) 35.919 2.178 ( 15.905 33.694 15.756) 40.454 3.605 ( 8.444 7.456 -6.959) 13.240 4.027 ( 8.361 21.655 -3.254) 23.440 4.443 ( 8.585 15.809 -3.646) 18.356 4.543 ( 1.764 16.552 -0.362) 16.650 5.224 ( 10.710 -11.559 17.178) 23.311 6.159 ( -1.894 -2.436 3.079) 4.359 7.109 ( -5.049 -6.984 3.430) 9.275 8.280 ( -8.417 -13.816 -11.761) 20.001 8.361 ( -5.765 -5.483 -2.804) 8.436 9.489 ( -3.988 -8.810 -1.298) 9.757 9.869 ( -2.530 -5.172 -0.394) 5.772 10.410 ( 4.716 21.228 -10.346) 24.081 11.521 ( 0.264 -0.007 -0.080) 0.276 12.013 ( -3.354 -12.508 13.629) 18.801 13.662 ( 3.347 1.349 0.529) 3.648 13.714 ( -5.705 1.605 -0.171) 5.929 13.803 ( 0.675 -0.345 0.921) 1.193 14.208 ( 4.909 3.182 -8.828) 10.590 ======================= Grid point 235 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 16.527 17.545 8.264) 25.480 2.069 ( 17.886 19.448 14.457) 30.119 2.664 ( 10.074 15.318 5.660) 19.187 3.849 ( 10.367 13.404 -3.182) 17.242 4.439 ( 14.223 12.324 1.649) 18.892 4.620 ( 0.052 3.242 0.777) 3.334 4.890 ( 17.901 36.740 -3.099) 40.986 5.599 ( 26.927 6.706 4.616) 28.131 6.103 ( -2.058 -2.069 0.185) 2.924 6.927 ( -8.758 -8.256 4.315) 12.786 7.914 ( -10.766 -15.670 -10.776) 21.853 8.204 ( -10.070 -0.933 -0.447) 10.124 9.316 ( -3.337 -11.974 -0.942) 12.466 9.771 ( -0.927 -8.729 0.261) 8.782 10.602 ( -0.798 16.686 -4.471) 17.293 11.520 ( -0.786 -0.214 -0.109) 0.822 11.844 ( -6.558 -11.356 5.508) 14.223 13.661 ( -3.113 2.391 0.272) 3.935 13.768 ( 5.813 3.351 1.596) 6.897 13.816 ( 2.029 -2.368 1.269) 3.366 14.235 ( -0.685 0.188 -4.802) 4.855 ======================= Grid point 236 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 12.302 9.651 3.827) 16.098 2.548 ( 15.095 13.968 9.432) 22.626 2.905 ( 5.736 6.838 2.856) 9.371 4.199 ( 13.512 18.125 -0.775) 22.621 4.615 ( 2.202 1.568 -1.206) 2.960 4.747 ( 3.998 14.186 0.220) 14.740 5.638 ( 23.882 23.973 -3.156) 33.986 5.911 ( 2.590 7.012 -0.739) 7.512 6.314 ( 27.700 6.988 1.648) 28.615 6.710 ( -8.314 -7.036 6.246) 12.555 7.597 ( -6.429 -13.717 -5.755) 16.205 7.999 ( -14.461 2.142 -1.186) 14.667 9.146 ( -2.301 -12.156 -2.656) 12.653 9.675 ( 1.087 -11.423 0.819) 11.503 10.690 ( -5.594 14.372 -0.911) 15.449 11.453 ( -7.558 -1.660 0.278) 7.743 11.657 ( -1.981 -10.319 1.602) 10.629 13.641 ( -2.770 2.782 0.337) 3.940 13.832 ( 3.514 -4.406 0.465) 5.655 13.911 ( 5.292 3.361 2.054) 6.597 14.184 ( -3.358 0.541 -2.202) 4.052 ======================= Grid point 237 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 7.581 4.361 1.377) 8.854 2.895 ( 10.789 8.152 3.635) 14.003 3.037 ( 3.211 3.849 2.883) 5.782 4.619 ( 13.949 17.132 -0.705) 22.104 4.684 ( 4.432 4.931 -0.059) 6.630 4.924 ( 0.718 13.886 -0.443) 13.912 5.636 ( -10.396 -1.952 -6.903) 12.631 6.429 ( 5.700 1.456 1.726) 6.131 6.560 ( 16.761 14.171 5.017) 22.515 6.930 ( 25.626 6.291 2.165) 26.476 7.403 ( -0.721 -10.283 -2.470) 10.600 7.761 ( -16.768 4.161 -1.552) 17.346 8.995 ( -1.422 -9.934 -3.025) 10.481 9.595 ( 3.627 -13.746 0.860) 14.242 10.678 ( -10.352 10.238 0.028) 14.559 11.281 ( -8.994 -0.159 0.322) 9.001 11.589 ( 2.329 -8.068 1.380) 8.510 13.618 ( -2.924 2.070 0.132) 3.585 13.844 ( 2.899 -4.752 -0.565) 5.595 13.964 ( -1.986 0.498 -0.237) 2.061 14.184 ( 1.908 3.404 1.869) 4.327 ======================= Grid point 238 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 4.254 1.294 0.379) 4.462 3.074 ( 5.038 1.059 -5.829) 7.777 3.133 ( 2.425 4.819 7.379) 9.141 4.782 ( 5.166 3.747 -1.240) 6.501 5.017 ( 4.740 13.004 -0.295) 13.845 5.048 ( 4.550 15.041 -0.145) 15.715 5.423 ( -11.223 0.672 -2.560) 11.530 6.339 ( -3.122 -5.089 2.305) 6.399 7.092 ( 15.905 11.902 2.797) 20.062 7.196 ( 5.646 -6.530 0.015) 8.632 7.484 ( 10.710 0.379 -4.567) 11.649 7.533 ( -8.770 5.882 0.995) 10.607 8.905 ( 0.608 -4.970 -1.406) 5.201 9.535 ( 6.335 -16.468 0.476) 17.651 10.551 ( -11.669 4.327 -0.402) 12.452 11.191 ( -6.505 7.257 0.736) 9.774 11.562 ( 3.093 -7.980 1.491) 8.687 13.587 ( -2.156 0.589 -0.029) 2.235 13.822 ( -1.742 -0.724 -1.044) 2.156 13.927 ( -0.551 -1.598 0.907) 1.918 14.268 ( 2.573 2.709 1.918) 4.200 ======================= Grid point 239 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 1.762 -0.499 0.035) 1.832 3.102 ( 0.643 0.200 -6.035) 6.072 3.216 ( 0.913 1.607 4.114) 4.511 4.885 ( 2.540 2.732 -3.464) 5.091 5.066 ( -2.898 6.276 0.427) 6.926 5.292 ( -7.328 7.365 1.697) 10.527 5.301 ( 1.892 11.497 -0.136) 11.652 6.272 ( 0.049 -4.862 2.375) 5.411 7.172 ( 0.000 1.457 -0.667) 1.603 7.266 ( -6.294 1.313 -2.019) 6.739 7.449 ( 5.101 0.656 -0.325) 5.153 7.729 ( 8.499 -1.660 -0.879) 8.704 8.904 ( 1.154 0.221 0.608) 1.323 9.493 ( 9.504 -19.390 -0.058) 21.594 10.424 ( -6.530 3.750 -0.391) 7.540 11.176 ( -7.007 11.505 0.364) 13.476 11.547 ( 3.912 -8.179 1.376) 9.171 13.565 ( -0.678 0.048 0.270) 0.731 13.795 ( -2.623 3.923 0.905) 4.805 13.915 ( 1.455 -3.572 0.601) 3.904 14.316 ( 0.171 1.114 0.859) 1.417 ======================= Grid point 240 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -0.823 -1.619 -0.120) 1.820 3.069 ( -2.511 0.116 -6.611) 7.073 3.219 ( -2.069 -1.088 2.867) 3.699 4.855 ( -4.382 -0.930 -4.251) 6.175 5.087 ( -4.602 8.239 1.091) 9.500 5.304 ( -10.659 3.606 -0.093) 11.253 5.331 ( 1.640 9.651 3.841) 10.516 6.267 ( 3.682 -3.935 1.978) 5.741 7.149 ( -1.847 -0.903 -2.348) 3.121 7.248 ( -0.514 5.500 -2.578) 6.096 7.456 ( -2.378 -2.085 0.162) 3.167 7.726 ( -3.074 -8.026 -1.262) 8.687 8.925 ( 0.804 0.238 1.897) 2.074 9.487 ( 11.984 -18.736 -0.396) 22.244 10.426 ( 0.071 7.713 -0.318) 7.720 11.172 ( -7.010 11.977 0.176) 13.879 11.545 ( 4.882 -8.131 1.212) 9.561 13.569 ( 0.325 1.054 0.479) 1.202 13.826 ( 0.069 5.486 2.996) 6.251 13.905 ( 1.784 -4.198 -0.092) 4.563 14.298 ( -2.780 -0.427 -0.297) 2.828 ======================= Grid point 241 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -4.206 -2.729 -0.332) 5.025 2.967 ( -7.565 -0.622 -6.264) 9.842 3.150 ( -4.460 -2.719 2.187) 5.663 4.749 ( -4.811 -1.345 -2.578) 5.622 5.034 ( -18.255 -1.360 0.605) 18.315 5.053 ( -12.264 8.747 0.340) 15.067 5.534 ( 9.047 8.830 3.529) 13.125 6.325 ( 6.029 -2.038 1.415) 6.520 7.024 ( -19.203 -8.924 -2.059) 21.276 7.164 ( 3.871 -7.721 -1.660) 8.795 7.442 ( -10.936 -7.737 -3.608) 13.874 7.567 ( 1.472 11.348 0.230) 11.446 8.970 ( 5.309 -2.370 2.329) 6.263 9.522 ( 11.483 -14.924 -0.297) 18.833 10.546 ( 1.495 12.353 -0.729) 12.465 11.192 ( -2.815 10.162 0.969) 10.589 11.561 ( 5.602 -7.537 1.242) 9.472 13.592 ( 0.146 2.377 0.270) 2.397 13.869 ( 1.336 -4.113 0.777) 4.393 13.939 ( 3.449 4.290 2.957) 6.249 14.215 ( -5.468 -1.368 -1.559) 5.849 ======================= Grid point 242 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( -9.351 -4.531 -0.540) 10.405 2.746 ( -15.396 -2.430 -3.901) 16.067 3.042 ( -5.576 -3.001 1.216) 6.448 4.627 ( -23.880 -3.622 0.214) 24.154 4.666 ( -3.080 -0.889 -0.964) 3.347 4.940 ( -13.461 8.174 0.705) 15.765 5.781 ( 8.906 6.738 0.740) 11.193 6.424 ( -15.641 -10.167 1.030) 18.683 6.462 ( -9.030 -3.701 0.048) 9.759 6.869 ( -23.191 -18.124 -2.016) 29.502 7.371 ( 13.439 -3.577 -3.520) 14.345 7.795 ( 4.483 18.001 0.434) 18.556 9.065 ( 9.097 -4.669 1.062) 10.281 9.581 ( 10.417 -10.676 0.045) 14.916 10.668 ( -2.956 14.433 -0.591) 14.744 11.299 ( 4.537 7.851 1.603) 9.208 11.595 ( 6.025 -6.363 1.608) 8.909 13.618 ( -0.429 3.149 0.144) 3.181 13.839 ( 1.422 -6.141 -0.668) 6.339 14.024 ( -2.338 -0.857 3.606) 4.382 14.124 ( -0.560 3.403 -2.111) 4.044 ======================= Grid point 243 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -18.365 -6.943 0.170) 19.634 2.388 ( -22.356 -3.261 -0.806) 22.607 2.902 ( -8.719 -3.431 1.498) 9.489 4.202 ( -21.951 -2.519 -0.475) 22.100 4.623 ( -1.409 -0.665 -0.003) 1.558 4.758 ( -15.817 3.612 1.774) 16.321 5.671 ( -41.527 -7.960 0.676) 42.288 5.877 ( -6.599 -3.228 -6.973) 10.128 6.278 ( -18.856 -15.042 0.900) 24.138 6.655 ( 12.561 2.532 2.487) 13.053 7.638 ( 20.622 0.002 -2.455) 20.767 8.035 ( 4.971 13.919 0.915) 14.808 9.183 ( 10.615 -5.409 -0.461) 11.922 9.665 ( 9.430 -6.469 0.197) 11.437 10.721 ( -6.144 12.389 0.884) 13.857 11.464 ( 5.609 4.788 0.370) 7.384 11.655 ( 6.771 -4.193 1.982) 8.207 13.638 ( -0.910 3.160 0.123) 3.291 13.801 ( 1.202 -5.340 -1.085) 5.580 13.900 ( -6.712 -3.115 0.831) 7.446 14.214 ( 3.369 3.903 -0.185) 5.159 ======================= Grid point 244 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -28.169 -5.796 4.761) 29.150 1.929 ( -28.963 -3.687 2.044) 29.268 2.640 ( -20.685 -5.116 2.944) 21.511 3.864 ( -15.784 -0.216 -2.111) 15.926 4.431 ( -20.044 -7.803 1.163) 21.540 4.604 ( -3.508 -0.480 1.921) 4.028 5.031 ( -32.197 9.753 5.345) 34.064 5.335 ( -29.504 -16.184 -9.092) 34.858 6.144 ( 0.914 -1.018 0.104) 1.372 6.897 ( 11.962 1.637 2.259) 12.283 8.022 ( 23.465 2.507 -3.932) 23.924 8.227 ( 5.832 6.115 1.204) 8.536 9.321 ( 11.204 -3.157 -0.661) 11.659 9.768 ( 8.019 -2.947 -0.025) 8.544 10.697 ( -8.445 5.954 0.561) 10.348 11.546 ( 1.268 0.652 -1.497) 2.067 11.751 ( 6.306 -0.790 3.166) 7.100 13.655 ( -0.732 3.576 -0.102) 3.651 13.761 ( -2.948 -2.464 1.406) 4.091 13.797 ( 0.172 -3.733 -0.279) 3.748 14.280 ( 1.291 2.031 -2.210) 3.268 ======================= Grid point 248 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -0.000 28.646 10.783) 30.608 1.695 ( -0.000 25.819 20.685) 33.083 2.442 ( -0.000 30.626 14.717) 33.978 3.588 ( 0.000 11.895 -7.519) 14.072 4.283 ( 0.000 34.469 -0.945) 34.482 4.405 ( -0.000 8.209 2.516) 8.586 4.752 ( 0.000 20.319 -7.499) 21.659 5.055 ( -0.000 -3.323 10.388) 10.906 6.164 ( -0.000 -1.720 2.595) 3.113 7.088 ( -0.000 -8.542 4.347) 9.584 8.203 ( 0.000 -16.865 -13.181) 21.405 8.272 ( -0.000 -10.244 -0.185) 10.246 9.465 ( 0.000 -7.555 -1.376) 7.679 9.880 ( 0.000 -3.261 -0.295) 3.274 10.488 ( 0.000 13.809 -6.439) 15.236 11.517 ( 0.000 0.028 -0.521) 0.522 11.964 ( -0.000 -10.399 10.876) 15.048 13.627 ( -0.000 -0.221 0.327) 0.395 13.791 ( -0.000 0.095 2.891) 2.893 13.819 ( 0.000 1.532 -0.136) 1.538 14.163 ( 0.000 4.401 -8.583) 9.646 ======================= Grid point 249 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 7.790 21.670 7.940) 24.358 2.075 ( 9.744 21.512 14.526) 27.726 2.744 ( 2.981 16.882 8.833) 19.285 3.803 ( 10.201 16.604 -4.134) 19.921 4.460 ( 1.311 16.361 1.692) 16.500 4.659 ( 1.190 8.360 2.684) 8.860 5.011 ( 13.691 32.446 -7.365) 35.978 5.290 ( 14.889 15.105 3.166) 21.445 6.140 ( -2.771 0.379 0.657) 2.873 6.974 ( -4.887 -9.413 5.796) 12.086 7.880 ( -9.591 -17.985 -10.758) 23.048 8.231 ( 3.343 -8.323 -0.883) 9.013 9.303 ( -8.193 -9.066 -1.055) 12.265 9.769 ( -6.318 -4.956 0.202) 8.032 10.666 ( 7.592 8.916 -3.411) 12.197 11.515 ( 0.290 -0.887 -0.443) 1.034 11.856 ( -5.227 -9.401 6.079) 12.355 13.657 ( 3.157 -0.758 0.300) 3.260 13.793 ( -2.115 -0.280 0.367) 2.164 13.807 ( -1.145 5.044 2.946) 5.953 14.204 ( 2.412 0.924 -5.430) 6.013 ======================= Grid point 250 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 8.264 13.213 4.599) 16.249 2.478 ( 12.263 14.597 7.022) 20.317 2.934 ( 2.388 9.460 6.839) 11.915 4.179 ( 12.547 21.163 -0.679) 24.613 4.589 ( 2.185 2.447 -2.458) 4.099 4.825 ( 5.858 16.207 0.324) 17.237 5.568 ( 13.679 29.218 -4.305) 32.547 5.808 ( 24.685 14.551 0.248) 28.656 6.114 ( -0.749 7.704 0.753) 7.777 6.792 ( -7.781 -8.953 7.548) 14.060 7.536 ( -6.932 -16.646 -7.483) 19.523 8.187 ( -3.264 -1.387 -0.516) 3.584 9.053 ( -6.927 -13.240 -2.361) 15.128 9.616 ( -4.619 -7.618 0.731) 8.939 10.844 ( 3.542 9.027 -1.390) 9.796 11.505 ( 0.348 -2.234 0.530) 2.322 11.641 ( -9.768 -10.340 1.854) 14.345 13.694 ( 0.738 1.105 0.693) 1.499 13.759 ( -0.043 -3.243 0.628) 3.304 13.890 ( 2.520 6.646 2.873) 7.666 14.207 ( -0.325 -0.629 -3.317) 3.392 ======================= Grid point 251 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 6.276 6.608 1.827) 9.294 2.786 ( 10.531 6.703 -0.732) 12.504 3.071 ( 1.749 7.573 7.917) 11.095 4.583 ( 9.248 14.558 -2.138) 17.379 4.673 ( 6.697 11.450 1.012) 13.303 5.062 ( 2.213 16.583 -2.796) 16.962 5.773 ( -5.659 3.998 -5.738) 8.997 6.258 ( 18.744 10.406 1.499) 21.491 6.503 ( 15.055 18.313 1.343) 23.745 6.664 ( 4.701 -0.666 7.658) 9.010 7.297 ( -1.929 -13.316 -4.015) 14.041 8.072 ( -12.777 5.193 -0.671) 13.809 8.833 ( 0.547 -17.637 -3.556) 18.000 9.473 ( -2.710 -9.750 1.206) 10.191 10.929 ( -5.087 9.338 -0.229) 10.637 11.385 ( -6.370 -11.126 -0.286) 12.824 11.491 ( -0.269 -1.207 1.760) 2.151 13.684 ( -2.641 -0.521 0.422) 2.725 13.757 ( 2.516 -1.662 0.531) 3.062 13.990 ( 0.742 3.894 1.198) 4.141 14.191 ( 0.534 0.781 -0.391) 1.024 ======================= Grid point 252 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 4.234 2.027 0.248) 4.701 2.960 ( 7.293 1.462 -6.085) 9.610 3.186 ( 0.762 6.093 7.969) 10.061 4.725 ( 5.379 4.027 -2.650) 7.223 5.056 ( 9.678 22.730 1.978) 24.783 5.186 ( -1.939 10.696 -3.447) 11.404 5.662 ( -11.400 10.008 -2.011) 15.303 6.350 ( -2.822 -6.244 5.188) 8.595 6.908 ( 20.206 9.512 3.860) 22.664 7.031 ( 12.556 7.978 -0.763) 14.896 7.223 ( 9.711 -5.527 -3.498) 11.709 7.853 ( -18.514 5.195 -1.138) 19.263 8.730 ( 7.846 -15.476 -2.767) 17.571 9.340 ( -1.069 -12.288 1.291) 12.402 10.810 ( -14.495 2.882 -0.405) 14.785 11.279 ( 3.305 -6.361 -0.553) 7.190 11.487 ( -2.037 2.872 2.649) 4.406 13.625 ( -2.497 -1.902 0.023) 3.139 13.788 ( 2.292 -1.195 0.392) 2.614 13.984 ( -3.980 2.433 0.129) 4.667 14.250 ( 3.241 2.169 1.516) 4.185 ======================= Grid point 253 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 2.913 -0.698 -0.352) 3.016 3.041 ( 4.124 0.463 -7.634) 8.689 3.254 ( -0.641 2.972 6.116) 6.830 4.848 ( 4.703 4.546 -3.458) 7.398 5.173 ( -3.946 3.248 -1.431) 5.307 5.404 ( 3.964 19.994 1.198) 20.419 5.601 ( -12.178 17.958 0.657) 21.708 6.251 ( -3.019 -6.212 5.559) 8.866 7.121 ( 6.273 0.818 -1.566) 6.517 7.298 ( 9.760 6.596 2.458) 12.033 7.414 ( 6.614 -3.614 -6.502) 9.954 7.606 ( -8.196 0.655 0.576) 8.242 8.783 ( 12.361 -8.050 -1.013) 14.786 9.196 ( 0.028 -16.807 0.948) 16.833 10.595 ( -11.065 1.185 -0.448) 11.137 11.300 ( 5.816 -6.865 -0.421) 9.007 11.489 ( -5.650 8.810 2.406) 10.739 13.576 ( -1.175 -1.500 0.667) 2.019 13.809 ( 2.484 -2.947 0.058) 3.855 13.942 ( -4.668 4.559 0.854) 6.580 14.316 ( 1.707 1.124 1.053) 2.299 ======================= Grid point 254 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 1.432 -1.713 -0.311) 2.254 3.067 ( 0.956 1.038 -7.854) 7.980 3.261 ( -2.244 0.107 4.754) 5.258 4.903 ( -1.955 2.155 -4.994) 5.780 5.169 ( 1.201 3.837 1.753) 4.386 5.545 ( -8.661 12.798 0.668) 15.468 5.592 ( -10.908 20.662 1.318) 23.402 6.182 ( 0.699 -5.953 4.537) 7.518 7.227 ( -7.983 -2.895 -4.787) 9.748 7.288 ( 3.008 9.359 -1.211) 9.905 7.428 ( 2.346 -1.444 0.733) 2.851 7.622 ( 4.820 -8.346 -0.772) 9.669 8.930 ( 3.235 1.675 0.941) 3.762 9.043 ( 11.068 -25.634 -0.411) 27.924 10.504 ( -2.653 5.033 -0.212) 5.694 11.327 ( 7.195 -10.080 0.165) 12.385 11.473 ( -9.456 12.517 1.254) 15.737 13.568 ( 0.716 -0.125 1.584) 1.743 13.812 ( 2.818 -5.563 -0.329) 6.245 13.932 ( -3.586 7.320 1.609) 8.308 14.328 ( -1.013 -0.345 0.247) 1.099 ======================= Grid point 255 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -1.313 -1.867 -0.184) 2.289 3.042 ( -2.911 1.830 -7.682) 8.416 3.210 ( -4.307 -2.052 4.369) 6.469 4.822 ( -5.730 0.043 -3.278) 6.602 5.263 ( -0.238 7.487 1.510) 7.641 5.393 ( -18.288 4.712 0.542) 18.893 5.624 ( -7.418 18.751 1.542) 20.224 6.197 ( 5.164 -4.235 2.710) 7.207 7.076 ( -2.284 -4.233 -2.675) 5.504 7.208 ( -12.326 -7.864 -2.419) 14.819 7.502 ( -6.876 -9.912 -1.747) 12.189 7.618 ( 8.043 14.423 1.041) 16.547 8.838 ( 2.475 -14.975 0.974) 15.209 9.163 ( 14.534 -8.480 -0.204) 16.829 10.598 ( 4.341 10.165 -0.348) 11.059 11.344 ( 7.375 -12.716 1.172) 14.746 11.433 ( -9.417 12.956 0.324) 16.020 13.601 ( 1.516 1.408 1.622) 2.629 13.794 ( 2.053 -6.175 -0.630) 6.538 13.976 ( -0.517 7.317 2.430) 7.727 14.276 ( -3.798 -1.715 -0.624) 4.214 ======================= Grid point 256 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -5.641 -2.017 -0.194) 5.993 2.942 ( -9.392 1.843 -5.694) 11.137 3.112 ( -5.459 -2.950 3.583) 7.165 4.721 ( -4.871 -0.192 -1.639) 5.143 5.031 ( -24.788 0.650 0.875) 24.812 5.283 ( -11.147 10.998 0.710) 15.675 5.748 ( 2.938 12.526 0.170) 12.867 6.276 ( 8.262 -4.234 1.996) 9.496 6.788 ( -21.771 -12.866 -1.488) 25.333 7.032 ( -7.835 -5.275 -0.405) 9.454 7.206 ( -6.123 -8.923 -3.004) 11.231 7.904 ( 4.709 18.597 0.790) 19.200 8.801 ( 10.730 -15.607 -0.262) 18.941 9.312 ( 11.205 -4.999 0.390) 12.276 10.798 ( 4.121 13.641 -0.841) 14.275 11.335 ( 3.808 -6.997 1.538) 8.113 11.437 ( -0.154 3.804 0.775) 3.886 13.646 ( 1.050 2.347 0.965) 2.746 13.761 ( 0.988 -5.322 -0.792) 5.471 14.057 ( 0.911 4.656 3.570) 5.938 14.174 ( -4.638 -1.929 -2.015) 5.412 ======================= Grid point 257 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -11.826 -1.879 0.302) 11.978 2.716 ( -17.589 0.713 -0.979) 17.631 3.002 ( -5.972 -1.890 1.682) 6.486 4.599 ( -25.537 -0.302 0.418) 25.542 4.653 ( -3.266 -0.041 -0.350) 3.285 5.124 ( -18.432 6.760 0.400) 19.637 5.896 ( 2.056 6.237 -3.799) 7.587 6.208 ( -23.470 -7.437 -0.147) 24.621 6.473 ( 3.705 0.012 3.117) 4.842 6.543 ( -26.205 -11.936 0.518) 28.800 7.312 ( 15.721 -0.285 -2.343) 15.898 8.108 ( 1.828 10.968 0.836) 11.150 8.892 ( 14.500 -9.080 -1.396) 17.165 9.454 ( 10.079 -2.630 0.533) 10.430 10.923 ( -3.891 9.845 -0.472) 10.596 11.400 ( 8.857 -1.532 0.323) 8.994 11.489 ( 4.482 -1.835 1.596) 5.100 13.684 ( -0.125 2.839 0.576) 2.900 13.727 ( 1.117 -3.802 -0.661) 4.018 14.000 ( -7.572 -2.049 1.259) 7.944 14.185 ( 3.523 2.265 -0.430) 4.210 ======================= Grid point 258 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -19.956 0.337 3.081) 20.196 2.375 ( -23.961 1.110 3.029) 24.177 2.867 ( -9.913 -0.790 1.311) 10.030 4.187 ( -22.422 0.171 -0.190) 22.423 4.615 ( -1.914 0.111 -0.633) 2.019 4.799 ( -22.274 -1.236 1.471) 22.356 5.667 ( -33.992 -7.414 -5.290) 35.191 5.772 ( -28.475 13.034 3.267) 31.486 6.117 ( -2.570 -2.719 -0.591) 3.788 6.690 ( 13.383 -0.799 3.062) 13.752 7.633 ( 21.804 1.107 -2.842) 22.016 8.189 ( 2.705 -1.216 0.110) 2.968 9.088 ( 13.605 0.423 -1.174) 13.662 9.606 ( 9.388 -0.129 0.299) 9.394 10.864 ( -7.832 -0.628 -0.631) 7.883 11.515 ( 2.541 0.589 -1.207) 2.875 11.599 ( 11.220 -1.534 2.151) 11.527 13.685 ( -0.900 0.082 0.272) 0.944 13.746 ( 2.393 0.796 0.498) 2.571 13.856 ( -7.647 -0.634 0.878) 7.723 14.251 ( 2.835 0.054 -1.291) 3.116 ======================= Grid point 263 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -0.000 19.944 5.423) 20.669 2.240 ( -0.000 18.976 12.572) 22.763 2.896 ( -0.000 12.269 8.686) 15.032 3.873 ( 0.000 20.525 -3.278) 20.785 4.586 ( -0.000 8.970 1.234) 9.054 4.687 ( 0.000 -3.391 -1.305) 3.634 5.192 ( -0.000 45.086 3.976) 45.261 5.420 ( 0.000 23.881 -7.462) 25.020 6.202 ( -0.000 7.176 0.926) 7.236 6.941 ( -0.000 -9.847 7.479) 12.365 7.796 ( 0.000 -16.759 -10.662) 19.863 8.028 ( -0.000 -14.180 -1.025) 14.217 9.306 ( 0.000 -7.437 -1.668) 7.622 9.820 ( -0.000 -2.863 0.354) 2.885 10.601 ( 0.000 1.207 -1.103) 1.635 11.494 ( 0.000 -2.841 -0.624) 2.908 11.852 ( -0.000 -6.234 4.892) 7.924 13.620 ( -0.000 -0.715 0.251) 0.758 13.841 ( -0.000 3.386 2.284) 4.084 13.852 ( 0.000 1.889 0.122) 1.893 14.175 ( 0.000 1.061 -3.569) 3.723 ======================= Grid point 264 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 3.292 14.142 3.640) 14.969 2.480 ( 5.668 13.042 5.946) 15.413 3.030 ( 0.528 9.423 8.807) 12.908 4.181 ( 10.972 22.926 -0.871) 25.431 4.589 ( -1.333 1.089 -3.262) 3.688 4.806 ( 10.250 7.731 -0.170) 12.840 5.599 ( 5.605 9.390 -6.812) 12.884 5.756 ( 9.839 41.232 3.020) 42.497 6.297 ( -2.927 18.955 0.096) 19.180 6.835 ( -4.473 -9.181 9.478) 13.933 7.488 ( -9.427 -15.752 -8.207) 20.108 8.022 ( 11.357 -12.051 -1.711) 16.648 9.138 ( -10.914 -6.759 -2.181) 13.021 9.681 ( -9.727 -4.480 0.764) 10.736 10.726 ( 12.161 -0.776 -0.523) 12.197 11.460 ( 0.759 -4.815 -0.168) 4.877 11.738 ( -8.216 -5.454 2.658) 10.213 13.647 ( 3.657 -0.790 0.445) 3.768 13.792 ( -4.865 0.663 0.369) 4.924 13.940 ( 2.206 6.149 1.934) 6.814 14.181 ( 0.699 -0.698 -1.983) 2.216 ======================= Grid point 265 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 3.182 8.134 2.037) 8.969 2.692 ( 7.211 6.224 -1.191) 9.600 3.157 ( 0.832 8.465 9.184) 12.517 4.564 ( 5.136 8.528 -3.627) 10.596 4.666 ( 11.373 16.915 1.179) 20.417 5.088 ( 10.377 10.861 -3.176) 15.353 5.734 ( 9.298 -1.832 -4.892) 10.665 6.212 ( 2.659 23.915 0.555) 24.069 6.553 ( 6.938 29.198 1.177) 30.034 6.699 ( -5.381 -4.912 10.243) 12.570 7.205 ( -4.608 -12.647 -5.544) 14.557 8.106 ( 9.543 -7.390 -1.080) 12.118 8.817 ( -16.726 -8.079 -3.134) 18.837 9.481 ( -7.257 -6.990 1.084) 10.134 10.912 ( 10.509 -1.982 -0.176) 10.695 11.401 ( -5.751 -6.138 -0.273) 8.415 11.541 ( -5.894 -2.310 1.605) 6.531 13.702 ( 1.005 -2.354 0.241) 2.571 13.726 ( -1.285 1.309 0.835) 2.016 14.035 ( 0.920 5.944 1.154) 6.125 14.174 ( 0.660 -0.891 -0.421) 1.186 ======================= Grid point 266 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 2.216 2.769 0.221) 3.553 2.840 ( 6.742 2.558 -5.057) 8.808 3.265 ( 0.072 6.251 7.811) 10.005 4.664 ( 5.165 3.727 -3.490) 7.263 5.111 ( 12.621 23.589 2.779) 26.897 5.256 ( 1.321 5.198 -5.351) 7.576 5.869 ( 4.197 7.696 -2.465) 9.106 6.345 ( -1.966 1.160 6.468) 6.859 6.728 ( 7.377 7.104 4.435) 11.161 6.976 ( 10.249 20.632 0.498) 23.043 7.061 ( 1.354 -7.273 -4.135) 8.475 8.160 ( -2.646 2.182 -0.029) 3.430 8.452 ( -7.410 -16.982 -4.180) 18.994 9.307 ( -5.205 -8.415 1.170) 9.964 11.019 ( 4.593 -2.982 0.108) 5.477 11.125 ( -12.668 -9.427 -0.749) 15.808 11.564 ( 2.322 5.265 1.942) 6.073 13.641 ( -2.747 -1.982 -0.661) 3.452 13.757 ( 1.061 -0.856 1.626) 2.122 14.070 ( -1.857 3.563 -0.512) 4.050 14.214 ( 3.116 1.560 1.520) 3.802 ======================= Grid point 267 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 2.129 -0.674 -0.875) 2.398 2.944 ( 5.453 1.616 -6.310) 8.495 3.321 ( -1.354 3.176 5.816) 6.764 4.794 ( 6.043 4.974 -3.256) 8.477 5.238 ( -2.756 -0.347 -3.430) 4.414 5.533 ( 8.108 23.455 3.119) 25.012 5.972 ( -6.977 18.887 -1.262) 20.174 6.282 ( -4.309 -5.113 8.311) 10.667 6.983 ( 10.695 2.804 -0.439) 11.065 7.101 ( 12.828 -1.982 -2.136) 13.155 7.276 ( 6.624 9.405 -0.899) 11.539 7.921 ( -22.672 2.118 -1.459) 22.818 8.383 ( 16.138 -17.720 -1.864) 24.040 9.142 ( -4.939 -8.991 1.029) 10.309 10.813 ( -14.615 -1.625 -0.623) 14.719 11.067 ( 7.745 -11.397 0.221) 13.781 11.672 ( -0.403 10.645 1.767) 10.798 13.581 ( -1.745 -1.908 -0.182) 2.592 13.750 ( 0.440 -3.449 1.085) 3.642 14.068 ( -3.177 5.455 0.125) 6.314 14.285 ( 3.008 0.687 1.053) 3.260 ======================= Grid point 268 (99/288) ======================= q-point: ( 0.64 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 2.469 -1.690 -0.811) 3.100 3.016 ( 3.563 1.696 -6.589) 7.681 3.321 ( -2.578 0.672 4.548) 5.271 4.919 ( 2.901 5.346 -4.188) 7.384 5.179 ( -0.975 -1.268 -0.371) 1.642 5.813 ( -2.996 19.527 3.123) 20.001 6.004 ( -10.972 20.767 -0.369) 23.490 6.177 ( -4.232 -4.576 6.042) 8.681 7.181 ( 9.555 3.775 -2.389) 10.548 7.263 ( 7.586 -7.015 -3.421) 10.884 7.402 ( 3.164 3.244 1.002) 4.641 7.595 ( -14.035 0.183 -0.901) 14.066 8.511 ( 18.755 -19.397 -1.040) 27.001 8.982 ( -4.736 -5.530 0.879) 7.333 10.624 ( -7.347 2.628 -0.356) 7.811 11.081 ( 7.510 -12.206 0.442) 14.338 11.740 ( -5.555 12.021 1.001) 13.280 13.554 ( 0.467 -1.193 1.159) 1.728 13.722 ( 1.119 -5.024 0.021) 5.148 14.072 ( -3.686 7.039 0.788) 7.985 14.322 ( 1.072 -0.924 0.367) 1.462 ======================= Grid point 269 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 1.526 -1.341 -0.473) 2.086 3.054 ( 0.961 2.306 -6.565) 7.024 3.279 ( -3.875 -1.109 4.263) 5.867 4.918 ( -5.320 2.125 -3.362) 6.642 5.234 ( 6.354 2.014 0.342) 6.674 5.768 ( -17.574 8.175 1.468) 19.438 6.010 ( -9.629 14.498 2.517) 17.585 6.144 ( -2.040 4.823 2.495) 5.800 7.105 ( -5.967 -6.139 -2.632) 8.957 7.280 ( -6.944 -8.733 -3.052) 11.568 7.452 ( 3.247 -4.853 1.208) 5.963 7.621 ( 8.272 17.465 -0.272) 19.326 8.527 ( 9.544 -26.250 -0.755) 27.941 8.968 ( 5.598 1.399 0.635) 5.805 10.628 ( 1.707 7.956 -0.267) 8.141 11.088 ( 7.519 -12.840 0.615) 14.892 11.719 ( -9.685 9.891 0.497) 13.852 13.582 ( 2.488 0.396 2.170) 3.325 13.694 ( 1.878 -5.463 -1.020) 5.866 14.087 ( -2.965 6.980 1.206) 7.679 14.302 ( -1.667 -2.367 -0.155) 2.899 ======================= Grid point 270 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -1.566 -0.749 -0.420) 1.786 3.049 ( -2.729 3.305 -6.536) 7.816 3.195 ( -5.724 -2.504 5.070) 8.046 4.816 ( -6.569 0.819 -1.502) 6.788 5.368 ( 5.054 2.671 -0.768) 5.768 5.463 ( -23.345 1.546 1.147) 23.425 6.005 ( -9.272 15.465 1.484) 18.092 6.144 ( 0.366 -2.850 1.718) 3.348 6.930 ( -10.389 -8.750 -0.502) 13.592 7.059 ( -4.260 -2.543 -2.170) 5.415 7.334 ( -11.143 -4.670 -0.131) 12.083 7.987 ( 8.683 20.990 0.369) 22.718 8.424 ( 10.277 -23.191 -1.232) 25.396 9.116 ( 9.590 -0.257 0.542) 9.609 10.814 ( 7.865 12.126 -0.601) 14.466 11.088 ( 7.561 -13.527 0.732) 15.514 11.625 ( -9.957 5.445 0.670) 11.368 13.641 ( 1.733 1.465 1.802) 2.898 13.680 ( 2.991 -4.166 -1.185) 5.264 14.116 ( -0.996 5.011 1.268) 5.264 14.222 ( -4.388 -3.038 -0.371) 5.349 ======================= Grid point 271 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -6.095 0.072 -0.187) 6.098 2.966 ( -10.105 3.402 -3.442) 11.204 3.084 ( -5.441 -2.219 4.111) 7.172 4.720 ( -5.181 0.717 -0.488) 5.253 5.045 ( -26.313 -0.390 1.188) 26.343 5.384 ( -6.654 -0.857 -2.380) 7.119 5.943 ( -5.472 -0.670 -1.882) 5.826 6.201 ( 7.550 -0.076 2.628) 7.995 6.638 ( -16.874 1.429 1.672) 17.017 6.963 ( -22.004 -0.373 0.265) 22.009 7.127 ( 4.198 1.613 -0.874) 4.582 8.159 ( -0.209 -1.451 0.044) 1.466 8.552 ( 18.250 0.927 -1.905) 18.373 9.277 ( 9.803 -0.200 0.598) 9.823 11.021 ( 0.245 2.069 -0.082) 2.085 11.139 ( 14.440 -2.390 -0.219) 14.639 11.517 ( -5.402 -0.321 0.883) 5.483 13.664 ( 2.005 -1.315 -0.801) 2.528 13.711 ( 0.958 1.300 1.209) 2.017 14.100 ( -5.067 -3.520 -1.406) 6.328 14.159 ( 0.249 2.871 1.881) 3.441 ======================= Grid point 272 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -11.198 2.186 1.086) 11.461 2.755 ( -17.592 2.460 3.055) 18.024 2.996 ( -5.684 0.490 0.978) 5.788 4.598 ( -25.046 0.016 0.149) 25.047 4.659 ( -4.080 0.586 0.401) 4.142 5.104 ( -18.013 -7.478 -1.712) 19.578 5.882 ( 3.009 -5.984 -4.834) 8.260 6.225 ( -22.337 8.076 1.699) 23.813 6.473 ( -4.582 0.579 1.981) 5.025 6.560 ( -19.322 11.082 2.991) 22.474 7.334 ( 14.992 3.094 -0.190) 15.309 8.089 ( 1.820 -12.201 -1.087) 12.384 8.888 ( 14.521 8.976 -1.888) 17.175 9.455 ( 10.052 2.469 0.600) 10.368 10.930 ( -4.780 -9.379 0.175) 10.529 11.392 ( 11.130 0.731 -0.479) 11.164 11.473 ( 2.499 0.337 0.059) 2.523 13.679 ( 0.679 -2.431 0.056) 2.525 13.743 ( 0.840 3.891 0.918) 4.085 13.983 ( -6.106 0.076 -0.391) 6.119 14.192 ( 2.035 -1.298 0.242) 2.426 ======================= Grid point 278 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -0.000 12.127 2.227) 12.330 2.562 ( -0.000 9.175 3.820) 9.939 3.143 ( -0.000 8.865 9.495) 12.990 4.306 ( 0.000 24.086 -0.673) 24.096 4.598 ( 0.000 -2.255 -4.545) 5.073 4.761 ( 0.000 8.297 0.632) 8.321 5.589 ( 0.000 1.454 -8.444) 8.568 6.115 ( -0.000 41.271 5.219) 41.599 6.538 ( 0.000 25.122 -1.895) 25.193 6.821 ( -0.000 -7.633 11.209) 13.562 7.450 ( 0.000 -11.759 -8.879) 14.735 7.729 ( -0.000 -15.441 -0.891) 15.467 9.164 ( 0.000 -5.808 -2.293) 6.244 9.773 ( -0.000 -2.274 0.423) 2.313 10.559 ( -0.000 -4.426 0.178) 4.430 11.389 ( -0.000 -7.345 -0.008) 7.345 11.779 ( -0.000 -3.669 2.307) 4.334 13.601 ( -0.000 -1.317 -0.075) 1.320 13.893 ( -0.000 2.001 0.592) 2.086 13.931 ( 0.000 4.363 -0.670) 4.414 14.175 ( -0.000 0.361 1.010) 1.073 ======================= Grid point 279 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 0.657 8.005 1.796) 8.231 2.663 ( 2.882 5.314 -0.213) 6.049 3.256 ( 0.228 7.941 8.756) 11.822 4.560 ( 0.672 2.878 -4.192) 5.129 4.648 ( 11.187 20.776 0.202) 23.598 4.952 ( 12.025 7.063 -0.551) 13.956 5.573 ( 3.245 -4.193 -6.727) 8.565 6.486 ( -0.707 28.046 2.235) 28.143 6.717 ( -1.595 3.343 8.098) 8.905 6.830 ( -1.255 20.300 2.248) 20.463 7.199 ( -9.611 -8.258 -5.696) 13.893 7.761 ( 15.094 -13.157 -1.682) 20.094 9.021 ( -10.574 -3.606 -2.512) 11.451 9.604 ( -13.224 -4.034 0.765) 13.847 10.653 ( 13.093 -6.025 0.030) 14.413 11.346 ( 3.485 -5.972 0.047) 6.915 11.669 ( -9.268 -3.204 1.469) 9.916 13.625 ( 3.987 -1.533 0.127) 4.273 13.825 ( -6.285 2.345 -0.056) 6.708 14.029 ( 4.064 1.587 -1.618) 4.654 14.184 ( -0.601 2.018 2.817) 3.516 ======================= Grid point 280 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -0.241 2.534 0.395) 2.576 2.766 ( 4.354 4.050 -2.583) 6.483 3.348 ( -0.290 5.594 6.602) 8.658 4.608 ( 3.970 2.905 -3.247) 5.895 5.092 ( 15.404 20.729 1.450) 25.867 5.206 ( 8.140 3.632 -3.979) 9.762 5.648 ( 15.037 -2.881 -2.477) 15.509 6.527 ( -8.950 1.516 7.281) 11.637 6.809 ( 0.402 13.885 3.273) 14.272 7.002 ( -3.666 -1.236 -1.664) 4.211 7.096 ( 1.703 21.583 -2.090) 21.750 7.880 ( 14.380 -14.081 -1.643) 20.193 8.730 ( -20.891 0.865 -2.392) 21.045 9.351 ( -9.569 -7.341 1.028) 12.104 10.775 ( 9.877 -10.490 -0.055) 14.408 11.342 ( -8.552 0.067 -1.210) 8.637 11.517 ( 2.224 -1.581 2.267) 3.548 13.663 ( 0.622 -1.465 -0.518) 1.674 13.761 ( -3.049 1.410 0.968) 3.496 14.069 ( 2.318 -1.393 -1.975) 3.349 14.225 ( 0.222 4.401 2.836) 5.240 ======================= Grid point 281 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -0.013 -0.410 -0.735) 0.842 2.865 ( 4.535 2.916 -3.482) 6.418 3.390 ( -1.464 2.691 4.350) 5.320 4.724 ( 6.410 4.310 -2.247) 8.045 5.241 ( -0.552 -2.148 -3.665) 4.284 5.558 ( 15.521 19.823 2.612) 25.311 5.977 ( 19.174 4.001 -2.106) 19.700 6.393 ( -8.910 -1.857 8.129) 12.203 6.943 ( 1.677 9.688 -1.368) 9.927 6.981 ( 0.449 4.650 0.425) 4.691 7.303 ( 2.308 12.133 -1.053) 12.395 7.940 ( 12.676 -19.771 -2.197) 23.589 8.363 ( -24.517 5.961 -1.124) 25.257 9.150 ( -5.634 -8.509 0.767) 10.234 10.792 ( 6.191 -12.611 -0.182) 14.050 11.099 ( -15.248 0.686 -0.425) 15.269 11.680 ( 9.106 4.937 1.512) 10.468 13.617 ( -3.690 0.060 -1.353) 3.930 13.732 ( -1.270 -2.592 1.835) 3.420 14.106 ( 3.098 0.901 -1.052) 3.394 14.272 ( 0.109 2.904 1.662) 3.347 ======================= Grid point 282 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 1.318 -1.063 -0.542) 1.778 2.952 ( 4.171 2.276 -3.836) 6.107 3.382 ( -2.465 0.446 2.957) 3.875 4.880 ( 6.786 5.484 -2.079) 8.969 5.179 ( -2.089 -3.304 -1.373) 4.143 5.983 ( 9.019 19.396 4.193) 21.798 6.234 ( 1.228 0.551 1.364) 1.916 6.254 ( -3.540 4.335 0.457) 5.615 7.056 ( 4.499 1.465 0.649) 4.775 7.083 ( 5.395 4.351 -2.174) 7.264 7.405 ( 1.930 5.053 -0.031) 5.409 7.864 ( -6.392 -8.871 -2.225) 11.159 8.110 ( -1.852 -6.538 -0.002) 6.796 9.002 ( -3.741 -5.749 0.446) 6.874 10.745 ( -1.536 -4.401 -0.439) 4.682 10.915 ( -3.806 -4.078 0.251) 5.584 11.857 ( 3.632 6.751 0.886) 7.717 13.557 ( -2.358 -0.441 -0.391) 2.431 13.684 ( -1.012 -3.487 0.866) 3.732 14.166 ( 0.781 4.022 -0.030) 4.097 14.293 ( 0.422 -0.358 0.576) 0.799 ======================= Grid point 283 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 2.329 -0.497 -0.183) 2.389 3.025 ( 3.089 2.334 -3.684) 5.344 3.339 ( -3.206 -0.964 2.483) 4.168 5.007 ( -0.753 5.672 -2.632) 6.298 5.133 ( 3.819 -3.183 0.581) 5.006 6.079 ( -8.976 -0.457 3.284) 9.568 6.151 ( -7.872 4.597 2.554) 9.467 6.377 ( -0.936 14.164 -1.830) 14.312 7.074 ( 0.659 -6.296 -1.210) 6.445 7.189 ( 6.334 -3.124 -0.638) 7.091 7.485 ( -4.755 3.017 -0.121) 5.633 7.708 ( -2.784 13.571 -0.078) 13.854 8.091 ( 12.463 -21.133 -0.784) 24.546 8.934 ( -0.063 -0.968 0.304) 1.017 10.704 ( -2.625 5.824 -0.366) 6.399 10.869 ( 5.001 -9.519 0.428) 10.761 11.914 ( -3.946 4.663 0.384) 6.120 13.542 ( 1.532 -0.729 0.583) 1.794 13.644 ( -0.375 -2.323 -0.066) 2.354 14.198 ( -2.492 5.040 0.517) 5.646 14.284 ( 0.517 -2.937 -0.083) 2.983 ======================= Grid point 284 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 1.367 0.246 -0.398) 1.445 3.074 ( 0.958 2.866 -3.576) 4.682 3.272 ( -4.243 -1.822 2.920) 5.464 4.942 ( -7.105 1.518 -0.606) 7.291 5.249 ( 8.371 -0.202 -1.075) 8.442 5.846 ( -19.417 -0.976 1.869) 19.531 6.062 ( -1.442 -2.058 1.608) 2.984 6.349 ( -11.191 -0.313 -0.935) 11.234 7.020 ( -4.149 1.519 0.616) 4.461 7.147 ( -7.289 1.593 -0.571) 7.483 7.411 ( -2.005 -0.579 -0.194) 2.096 7.955 ( 13.690 -1.505 -1.300) 13.834 8.107 ( 6.163 1.783 0.090) 6.416 8.983 ( 5.987 -0.245 0.271) 5.999 10.767 ( 5.021 0.508 -0.371) 5.061 10.899 ( 5.525 -0.680 0.300) 5.575 11.822 ( -9.242 -0.169 0.472) 9.256 13.584 ( 3.703 -1.990 -0.768) 4.273 13.637 ( 0.928 1.451 1.017) 2.000 14.174 ( -2.946 -1.070 -0.246) 3.144 14.262 ( -1.638 0.650 0.572) 1.853 ======================= Grid point 285 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( -1.616 0.966 -0.592) 1.974 3.086 ( -2.080 3.758 -4.055) 5.906 3.177 ( -6.063 -2.311 4.591) 7.948 4.834 ( -6.955 1.260 0.311) 7.075 5.345 ( 4.030 -3.570 -3.034) 6.180 5.463 ( -22.973 -2.394 1.195) 23.128 5.985 ( -9.149 -16.311 -0.333) 18.705 6.146 ( 1.345 1.015 1.530) 2.276 6.953 ( -9.887 9.504 1.731) 13.822 7.095 ( -4.912 6.412 1.718) 8.258 7.322 ( -10.643 4.282 -1.384) 11.556 7.968 ( 8.407 -20.945 -1.548) 22.622 8.429 ( 9.909 22.642 -0.786) 24.728 9.116 ( 9.700 0.012 0.510) 9.714 10.821 ( 8.304 -12.215 0.125) 14.771 11.075 ( 6.971 13.108 -0.648) 14.860 11.627 ( -9.909 -5.693 0.917) 11.465 13.607 ( 2.518 -1.705 -1.634) 3.452 13.708 ( 2.524 3.651 1.681) 4.747 14.087 ( -2.231 -6.020 -1.473) 6.587 14.244 ( -3.263 3.021 1.640) 4.739 ======================= Grid point 286 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -5.169 2.285 0.019) 5.652 3.021 ( -10.361 2.582 1.231) 10.748 3.081 ( -3.666 0.323 1.517) 3.981 4.742 ( -5.597 1.485 0.509) 5.813 5.029 ( -24.629 -1.332 0.730) 24.676 5.248 ( -10.157 -9.928 -2.911) 14.498 5.711 ( 1.506 -13.978 -3.004) 14.377 6.283 ( 8.258 2.720 2.154) 8.957 6.836 ( -21.252 12.563 3.572) 24.945 7.038 ( -11.163 6.970 0.094) 13.161 7.245 ( -2.309 10.581 0.861) 10.864 7.880 ( 4.634 -18.329 -1.604) 18.974 8.781 ( 10.359 14.162 -2.312) 17.698 9.318 ( 11.199 5.287 0.907) 12.418 10.810 ( 4.496 -13.774 0.354) 14.494 11.302 ( 3.639 6.252 -1.739) 7.440 11.445 ( -0.957 -3.668 1.561) 4.099 13.631 ( 2.158 -1.798 -0.599) 2.872 13.776 ( 0.616 4.293 0.804) 4.411 14.001 ( -0.150 -5.032 -2.111) 5.459 14.215 ( -3.603 1.509 2.188) 4.478 ======================= Grid point 293 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -0.000 6.958 0.985) 7.027 2.683 ( -0.000 3.134 0.664) 3.204 3.351 ( -0.000 6.591 6.955) 9.582 4.557 ( 0.000 0.478 -3.338) 3.372 4.751 ( 0.000 21.050 -0.313) 21.052 4.908 ( 0.000 6.406 0.324) 6.414 5.482 ( 0.000 -5.577 -6.139) 8.294 6.675 ( -0.000 4.066 0.719) 4.129 6.786 ( -0.000 7.375 8.545) 11.288 7.072 ( 0.000 24.436 -2.046) 24.522 7.311 ( 0.000 5.327 -2.473) 5.873 7.439 ( -0.000 -13.733 0.070) 13.733 9.058 ( 0.000 -3.604 -2.144) 4.193 9.737 ( -0.000 -1.666 0.090) 1.668 10.454 ( -0.000 -6.060 0.230) 6.064 11.238 ( -0.000 -7.542 0.296) 7.547 11.732 ( -0.000 -2.329 1.020) 2.542 13.572 ( 0.000 -1.415 -0.234) 1.434 13.933 ( -0.000 1.600 0.731) 1.759 13.965 ( 0.000 0.417 -3.228) 3.255 14.223 ( -0.000 2.906 3.465) 4.522 ======================= Grid point 294 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -1.318 1.650 0.842) 2.274 2.753 ( 1.879 4.489 -0.202) 4.871 3.420 ( -0.380 4.385 4.277) 6.137 4.573 ( 1.984 1.997 -1.803) 3.343 5.043 ( 11.651 17.128 -0.142) 20.716 5.061 ( 10.121 4.562 -0.656) 11.121 5.438 ( 4.222 -5.294 -3.528) 7.636 6.636 ( -3.881 -3.710 4.093) 6.751 6.863 ( 1.298 2.606 -0.029) 2.912 7.184 ( -7.831 8.297 2.562) 11.693 7.290 ( -0.934 16.780 -2.601) 17.006 7.551 ( 10.364 -3.813 0.057) 11.043 8.970 ( -6.953 -0.260 -1.980) 7.235 9.533 ( -17.394 -3.586 0.493) 17.766 10.515 ( 10.164 -7.412 0.008) 12.579 11.254 ( 9.023 -3.384 0.054) 9.636 11.626 ( -9.748 -1.973 0.712) 9.971 13.596 ( 3.829 -1.262 -0.117) 4.033 13.869 ( -5.655 2.203 -0.541) 6.093 14.001 ( 2.349 -2.103 -1.685) 3.575 14.269 ( 0.524 3.522 2.665) 4.447 ======================= Grid point 295 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -1.938 0.170 0.658) 2.054 2.826 ( 2.847 2.913 -0.982) 4.190 3.445 ( -1.277 1.834 1.856) 2.905 4.656 ( 5.242 2.965 -0.324) 6.032 5.199 ( 2.604 -1.108 -2.402) 3.712 5.435 ( 17.222 13.091 0.700) 21.644 5.612 ( 21.051 -0.419 -0.734) 21.068 6.519 ( -6.827 -3.771 3.399) 8.508 6.929 ( 4.072 4.511 -0.635) 6.110 7.179 ( -5.255 9.052 2.319) 10.720 7.405 ( -0.124 9.267 -2.057) 9.494 7.614 ( 4.595 -9.230 -0.270) 10.314 8.806 ( -17.280 7.685 -1.511) 18.972 9.198 ( -12.683 -9.216 0.860) 15.701 10.578 ( 6.814 -8.291 -0.073) 10.732 11.354 ( -10.934 1.416 -1.528) 11.131 11.505 ( 10.986 -1.090 1.907) 11.204 13.639 ( 1.514 -0.564 -0.838) 1.820 13.788 ( -6.133 0.724 0.679) 6.213 14.023 ( 4.298 -1.612 -1.385) 4.795 14.313 ( -0.042 2.704 1.408) 3.049 ======================= Grid point 296 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -0.999 -0.047 1.095) 1.483 2.900 ( 3.595 1.942 -1.215) 4.263 3.427 ( -2.077 -0.183 0.435) 2.130 4.795 ( 7.516 2.943 0.479) 8.086 5.180 ( -1.306 -1.491 -0.793) 2.135 5.881 ( 20.608 11.377 1.971) 23.622 5.983 ( 21.690 -2.394 -2.159) 21.929 6.363 ( -7.958 -3.498 0.582) 8.713 7.087 ( 4.853 9.337 0.749) 10.550 7.150 ( -6.892 4.151 1.143) 8.127 7.446 ( -2.252 3.780 -1.016) 4.515 7.581 ( 8.240 -13.310 -0.439) 15.660 8.492 ( -26.935 5.828 -0.190) 27.559 8.998 ( -2.743 -6.160 0.156) 6.744 10.614 ( 5.887 -4.898 0.004) 7.658 11.106 ( -15.186 0.274 -0.399) 15.194 11.753 ( 13.070 1.606 0.429) 13.176 13.622 ( -3.549 1.538 -2.032) 4.369 13.690 ( -3.746 -2.626 1.791) 4.913 14.109 ( 6.326 0.231 -0.679) 6.367 14.321 ( -1.540 0.986 0.500) 1.896 ======================= Grid point 297 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 0.807 0.597 1.388) 1.713 2.979 ( 3.923 1.767 -0.717) 4.362 3.380 ( -2.537 -1.424 -0.067) 2.911 4.956 ( 8.580 1.222 0.708) 8.695 5.134 ( -3.592 0.598 0.295) 3.653 6.170 ( -2.372 -2.519 0.149) 3.463 6.212 ( 4.023 -7.622 -4.761) 9.846 6.319 ( 14.600 7.158 2.799) 16.499 7.059 ( -3.883 -0.901 0.048) 3.987 7.157 ( -2.424 1.530 0.884) 3.000 7.489 ( 5.013 -0.919 -0.211) 5.101 7.701 ( 13.719 1.911 0.239) 13.853 8.074 ( -23.863 0.056 0.297) 23.865 8.941 ( -1.443 -0.230 -0.126) 1.467 10.694 ( 6.280 0.238 0.209) 6.288 10.880 ( -10.983 -0.133 -0.255) 10.987 11.923 ( 5.431 -0.489 -0.153) 5.456 13.556 ( -3.564 0.484 -0.250) 3.606 13.642 ( -0.844 -0.721 0.025) 1.110 14.209 ( 4.759 0.140 -0.171) 4.764 14.284 ( -2.957 -0.427 -0.032) 2.988 ======================= Grid point 298 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 1.784 1.261 0.745) 2.308 3.058 ( 3.140 2.143 -0.178) 3.806 3.317 ( -2.872 -2.078 0.135) 3.548 5.048 ( -1.280 -3.525 1.408) 4.005 5.121 ( 3.595 4.169 -0.487) 5.526 6.047 ( -6.801 -1.841 -0.171) 7.048 6.094 ( -5.770 -10.655 -2.760) 12.427 6.406 ( -4.766 -12.192 1.011) 13.130 7.099 ( 3.254 9.589 1.138) 10.189 7.189 ( 4.620 2.828 -0.346) 5.428 7.489 ( -3.464 -3.216 0.191) 4.731 7.708 ( -4.715 -12.226 -0.073) 13.104 8.103 ( 12.577 21.521 0.380) 24.930 8.929 ( -0.024 0.450 -0.144) 0.473 10.709 ( -2.954 -5.745 0.157) 6.462 10.863 ( 5.159 9.391 -0.168) 10.716 11.908 ( -3.624 -5.317 -0.183) 6.437 13.534 ( 0.477 0.023 -0.257) 0.543 13.645 ( 0.566 2.246 0.024) 2.316 14.190 ( -2.893 -5.334 -0.262) 6.074 14.286 ( 0.943 2.550 0.074) 2.720 ======================= Grid point 299 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 0.912 1.683 -0.175) 1.922 3.115 ( 0.984 2.418 -0.549) 2.667 3.246 ( -3.446 -2.019 1.069) 4.135 4.963 ( -6.188 0.244 1.270) 6.322 5.212 ( 5.363 -2.631 -1.730) 6.219 5.758 ( -16.427 -8.938 0.522) 18.708 5.976 ( -7.349 -12.937 -0.269) 14.881 6.122 ( -2.894 -8.916 -0.425) 9.384 7.160 ( -7.673 8.016 2.854) 11.458 7.321 ( -4.328 10.385 1.071) 11.302 7.416 ( 2.904 2.331 -2.393) 4.427 7.617 ( 7.471 -15.574 -0.555) 17.282 8.533 ( 8.683 26.094 -0.224) 27.501 8.963 ( 6.125 -1.739 0.185) 6.369 10.630 ( 1.674 -7.945 -0.038) 8.120 11.079 ( 7.202 12.669 -0.258) 14.575 11.717 ( -9.157 -10.358 0.346) 13.830 13.552 ( 1.772 -0.408 -1.030) 2.089 13.710 ( 2.628 4.779 0.729) 5.502 14.069 ( -3.676 -7.265 -0.617) 8.165 14.309 ( -0.990 1.874 0.514) 2.181 ======================= Grid point 300 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -1.311 2.176 -0.298) 2.558 3.130 ( -1.314 1.579 -0.795) 2.202 3.169 ( -5.040 -0.117 2.049) 5.441 4.866 ( -6.598 1.492 1.207) 6.871 5.218 ( 0.131 -6.962 -2.995) 7.580 5.390 ( -18.673 -4.998 0.302) 19.333 5.598 ( -8.425 -19.784 -0.723) 21.515 6.188 ( 6.587 2.666 1.482) 7.259 7.118 ( -3.374 5.374 1.563) 6.535 7.253 ( -11.792 6.086 2.453) 13.495 7.505 ( -4.030 12.777 -2.440) 13.618 7.598 ( 6.634 -14.548 -0.291) 15.992 8.810 ( 1.559 13.688 -1.790) 13.892 9.176 ( 14.583 9.087 1.052) 17.214 10.600 ( 4.584 -10.194 -0.083) 11.177 11.319 ( 4.819 10.731 -1.427) 11.850 11.447 ( -7.116 -11.418 1.832) 13.578 13.577 ( 2.131 -0.787 -0.761) 2.395 13.804 ( 1.727 5.005 0.428) 5.312 13.942 ( -1.509 -7.381 -0.974) 7.597 14.294 ( -2.743 1.174 1.181) 3.209 ======================= Grid point 308 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -0.000 0.977 1.736) 1.992 2.777 ( -0.000 3.152 0.407) 3.178 3.467 ( -0.000 2.635 1.309) 2.943 4.571 ( -0.000 1.657 0.314) 1.686 4.999 ( 0.000 3.413 0.214) 3.420 5.092 ( 0.000 12.906 -0.507) 12.916 5.350 ( 0.000 -4.335 -2.660) 5.086 6.634 ( 0.000 -3.190 -1.974) 3.752 6.865 ( -0.000 -0.778 3.655) 3.737 7.216 ( -0.000 -8.861 0.583) 8.880 7.416 ( 0.000 12.688 -0.866) 12.717 7.585 ( -0.000 14.188 1.573) 14.275 8.999 ( 0.000 -1.416 -1.449) 2.026 9.712 ( -0.000 -0.862 -0.069) 0.865 10.347 ( -0.000 -4.574 0.212) 4.579 11.122 ( -0.000 -4.217 0.078) 4.218 11.701 ( -0.000 -1.256 0.127) 1.262 13.548 ( 0.000 -0.859 -0.088) 0.864 13.937 ( 0.000 -0.676 -2.870) 2.948 13.960 ( -0.000 0.767 0.380) 0.856 14.296 ( -0.000 2.134 1.980) 2.911 ======================= Grid point 309 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -1.998 0.324 2.426) 3.159 2.813 ( 1.439 1.564 0.160) 2.132 3.476 ( -0.760 0.558 -1.239) 1.557 4.612 ( 2.720 1.529 2.091) 3.756 5.106 ( 7.629 1.163 -0.559) 7.737 5.288 ( 11.056 7.108 -0.063) 13.144 5.355 ( 6.784 -1.683 -0.553) 7.011 6.570 ( -3.265 -2.766 -3.773) 5.705 6.899 ( 3.372 1.446 4.425) 5.748 7.183 ( 3.415 -4.727 0.497) 5.853 7.483 ( -2.783 5.900 -0.620) 6.552 7.661 ( -3.958 5.944 0.998) 7.211 8.975 ( -1.471 1.193 -1.140) 2.210 9.478 ( -22.309 -1.959 0.306) 22.397 10.403 ( 7.360 -3.350 0.114) 8.088 11.213 ( 13.278 -0.964 -0.332) 13.317 11.601 ( -10.052 -0.820 -0.051) 10.085 13.579 ( 3.729 -0.413 -0.119) 3.753 13.902 ( -4.471 1.709 -1.057) 4.901 13.954 ( 0.947 -1.579 -0.975) 2.083 14.325 ( 0.915 0.870 0.830) 1.511 ======================= Grid point 310 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -2.391 0.251 2.935) 3.794 2.858 ( 2.792 0.536 0.454) 2.879 3.447 ( -1.410 -1.250 -2.649) 3.251 4.702 ( 5.686 0.519 2.977) 6.440 5.185 ( 1.078 1.277 0.342) 1.706 5.581 ( 19.229 -3.451 -0.898) 19.557 5.596 ( 20.858 3.431 0.742) 21.151 6.447 ( -6.351 -2.492 -5.229) 8.596 7.028 ( 7.299 0.017 3.567) 8.124 7.220 ( 2.316 0.781 1.097) 2.679 7.452 ( -2.119 0.319 -0.265) 2.159 7.585 ( -7.651 -0.028 0.551) 7.671 8.975 ( -1.896 4.852 -0.927) 5.292 9.017 ( -27.530 -4.624 0.685) 27.924 10.493 ( 5.831 0.122 0.167) 5.834 11.368 ( -14.530 0.803 -1.089) 14.593 11.490 ( 16.795 -1.209 0.242) 16.841 13.631 ( 2.043 0.318 -0.889) 2.251 13.795 ( -7.978 -0.275 0.318) 7.989 14.002 ( 5.465 0.492 -1.070) 5.591 14.337 ( 0.031 -0.693 -0.107) 0.702 ======================= Grid point 311 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( -1.061 0.767 3.103) 3.368 2.923 ( 4.098 0.372 1.558) 4.399 3.393 ( -1.701 -2.451 -3.040) 4.259 4.819 ( 7.384 -1.740 2.834) 8.098 5.206 ( -1.660 3.900 1.776) 4.596 5.833 ( 18.380 -11.543 -2.839) 21.889 6.022 ( 23.281 1.964 1.555) 23.415 6.291 ( -6.865 -1.524 -6.255) 9.411 7.073 ( 1.509 -6.493 -0.400) 6.678 7.179 ( -4.099 -7.562 3.519) 9.294 7.459 ( -4.033 -2.641 0.410) 4.838 7.596 ( 10.108 15.376 1.152) 18.438 8.502 ( -27.448 -5.169 0.821) 27.942 8.990 ( -2.373 5.631 -0.707) 6.152 10.618 ( 5.932 5.133 0.360) 7.852 11.105 ( -15.329 -0.031 -0.409) 15.335 11.741 ( 13.184 -2.713 -0.849) 13.487 13.649 ( -0.342 1.848 -1.826) 2.620 13.659 ( -6.993 -0.949 1.063) 7.137 14.113 ( 6.272 0.513 -0.319) 6.301 14.310 ( -1.395 -2.121 -0.626) 2.615 ======================= Grid point 312 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 0.666 1.239 2.217) 2.626 3.011 ( 4.611 0.955 2.737) 5.446 3.327 ( -1.743 -3.130 -2.799) 4.546 4.919 ( 6.895 -4.507 1.845) 8.442 5.215 ( -3.490 5.256 2.286) 6.710 5.904 ( 8.464 -18.754 -4.047) 20.970 6.127 ( -5.591 -0.044 -5.451) 7.809 6.314 ( 5.063 -10.187 2.924) 11.745 7.038 ( 4.934 -1.435 -1.172) 5.270 7.124 ( 6.166 -3.885 1.927) 7.538 7.407 ( 0.782 -3.781 0.202) 3.867 7.914 ( -8.152 9.628 2.812) 12.926 8.109 ( -0.683 6.982 -0.068) 7.016 8.992 ( -3.634 5.285 -0.587) 6.441 10.756 ( -1.457 4.718 0.712) 4.989 10.907 ( -4.072 3.998 -0.513) 5.730 11.837 ( 3.977 -7.564 -1.082) 8.614 13.568 ( -3.585 0.571 0.818) 3.722 13.662 ( 0.134 3.006 -1.393) 3.315 14.168 ( 0.039 -3.969 0.246) 3.976 14.278 ( 1.232 -0.160 -0.957) 1.568 ======================= Grid point 313 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 1.553 1.513 0.845) 2.327 3.101 ( 3.278 1.438 2.403) 4.311 3.261 ( -1.506 -3.203 -1.992) 4.062 4.967 ( 3.780 -5.014 0.563) 6.305 5.196 ( -4.048 2.483 1.562) 4.999 5.768 ( -0.674 -18.808 -1.582) 18.886 5.982 ( -9.252 -14.417 -1.551) 17.201 6.121 ( -5.479 -4.555 -0.459) 7.139 7.182 ( 11.408 -3.339 -1.885) 12.035 7.320 ( 9.967 6.260 1.436) 11.858 7.398 ( 0.589 -0.771 1.193) 1.538 7.611 ( -15.950 -0.923 0.786) 15.996 8.529 ( 18.467 20.034 0.708) 27.256 8.967 ( -4.748 4.814 -0.591) 6.787 10.629 ( -7.620 -2.552 0.178) 8.038 11.078 ( 7.410 12.389 0.059) 14.436 11.723 ( -4.849 -12.783 -0.759) 13.693 13.546 ( -0.812 1.150 0.275) 1.434 13.716 ( 2.246 4.815 -0.566) 5.343 14.066 ( -4.248 -7.034 0.120) 8.218 14.314 ( 1.679 0.356 -0.539) 1.799 ======================= Grid point 314 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 0.964 1.669 -0.000) 1.928 3.147 ( 0.242 0.419 -0.000) 0.484 3.213 ( -0.777 -1.345 0.000) 1.554 4.955 ( -1.128 -1.953 0.000) 2.255 5.145 ( -1.677 -2.904 -0.000) 3.353 5.539 ( -7.284 -12.616 -0.000) 14.568 5.575 ( -12.091 -20.942 -0.000) 24.182 6.141 ( 3.026 5.241 0.000) 6.051 7.286 ( -0.791 -1.370 0.000) 1.582 7.288 ( -3.581 -6.203 -0.000) 7.162 7.420 ( 1.592 2.758 -0.000) 3.185 7.629 ( 4.996 8.653 0.000) 9.991 8.920 ( -0.437 -0.757 -0.000) 0.874 9.047 ( 14.169 24.541 0.000) 28.338 10.506 ( -2.825 -4.893 -0.000) 5.650 11.328 ( 7.182 12.440 0.000) 14.365 11.458 ( -8.923 -15.455 0.000) 17.846 13.552 ( 0.360 0.623 0.000) 0.719 13.815 ( 3.132 5.424 -0.000) 6.263 13.916 ( -4.417 -7.650 0.000) 8.833 14.326 ( -0.153 -0.265 -0.000) 0.306 ======================= Grid point 324 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -0.000 -0.175 3.922) 3.926 2.807 ( 0.000 -0.178 -0.020) 0.180 3.472 ( 0.000 -1.170 -3.951) 4.121 4.608 ( -0.000 0.351 4.045) 4.060 5.029 ( 0.000 -0.144 -0.480) 0.501 5.228 ( -0.000 0.349 0.560) 0.660 5.309 ( -0.000 1.370 0.348) 1.414 6.562 ( 0.000 -0.740 -7.653) 7.689 6.891 ( -0.000 0.100 7.698) 7.699 7.124 ( -0.000 -0.334 0.043) 0.337 7.540 ( 0.000 0.126 -0.814) 0.824 7.733 ( -0.000 -0.524 1.145) 1.259 8.983 ( 0.000 0.523 -0.823) 0.975 9.704 ( -0.000 0.054 0.052) 0.075 10.301 ( -0.000 0.018 0.405) 0.406 11.077 ( 0.000 -0.242 -0.617) 0.663 11.686 ( 0.000 -0.153 -0.590) 0.609 13.540 ( -0.000 0.074 0.201) 0.214 13.923 ( 0.000 1.131 -2.214) 2.487 13.966 ( 0.000 -0.215 -0.197) 0.292 14.315 ( -0.000 -0.993 0.017) 0.993 ======================= Grid point 325 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( -1.954 -0.717 3.857) 4.382 2.817 ( 2.028 -1.393 1.014) 2.661 3.431 ( -0.562 -2.940 -5.489) 6.252 4.642 ( 2.629 -0.826 4.812) 5.545 5.111 ( 9.053 -0.646 -0.053) 9.077 5.292 ( 10.553 -6.887 0.380) 12.608 5.376 ( 5.610 3.817 1.446) 6.938 6.500 ( -4.029 0.021 -8.710) 9.597 6.945 ( 2.908 -0.802 6.999) 7.621 7.181 ( 3.878 4.065 0.430) 5.634 7.484 ( -2.389 -4.905 -0.611) 5.489 7.661 ( -3.761 -6.824 1.005) 7.856 8.983 ( -1.142 0.122 -0.385) 1.211 9.475 ( -22.759 1.562 0.053) 22.813 10.406 ( 7.378 3.480 0.438) 8.169 11.206 ( 13.523 0.714 -0.997) 13.579 11.594 ( -10.205 0.345 -0.804) 10.242 13.580 ( 3.566 0.532 -0.036) 3.606 13.909 ( -5.470 -1.269 -0.038) 5.616 13.950 ( 1.896 2.739 -1.754) 3.765 14.308 ( 1.104 -2.633 -0.847) 2.978 ======================= Grid point 326 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -1.514 -0.953 3.198) 3.664 2.857 ( 3.906 -1.579 3.083) 5.221 3.367 ( -0.657 -4.274 -5.860) 7.282 4.705 ( 4.824 -2.368 4.338) 6.906 5.248 ( 4.100 2.986 2.434) 5.626 5.417 ( 15.213 -13.372 -1.091) 20.284 5.630 ( 20.866 1.203 0.943) 20.922 6.380 ( -7.021 0.735 -9.320) 11.691 6.987 ( 2.069 -2.384 3.990) 5.088 7.160 ( -4.230 -12.817 0.346) 13.502 7.443 ( -1.096 -9.271 2.146) 9.579 7.622 ( 6.453 11.507 0.450) 13.201 8.832 ( -17.241 -6.854 1.207) 18.592 9.179 ( -12.881 9.122 -1.073) 15.820 10.583 ( 6.816 8.368 0.512) 10.805 11.368 ( -14.421 -0.550 -0.110) 14.432 11.466 ( 14.589 -0.281 -1.939) 14.720 13.640 ( 2.170 1.080 -0.741) 2.535 13.781 ( -7.325 -1.231 0.070) 7.428 14.031 ( 4.523 2.870 -0.705) 5.403 14.285 ( 0.302 -4.132 -1.299) 4.342 ======================= Grid point 327 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 0.124 -0.957 2.284) 2.479 2.938 ( 5.562 -0.873 4.799) 7.397 3.294 ( -0.475 -5.111 -5.543) 7.555 4.776 ( 5.733 -3.984 2.818) 7.529 5.318 ( -1.123 4.352 4.149) 6.117 5.503 ( 14.053 -19.865 -2.956) 24.512 6.011 ( 20.472 -3.147 1.118) 20.743 6.233 ( -7.865 0.014 -7.758) 11.047 6.936 ( -1.539 -13.382 -0.901) 13.500 7.015 ( 2.544 -1.867 2.567) 4.068 7.322 ( 1.823 -12.332 0.937) 12.501 7.977 ( 13.578 19.176 1.449) 23.541 8.392 ( -25.387 -4.345 1.917) 25.827 9.132 ( -5.395 8.243 -1.052) 9.907 10.801 ( 6.447 12.587 0.677) 14.158 11.099 ( -15.668 -0.336 -0.359) 15.676 11.649 ( 9.356 -5.519 -1.694) 10.994 13.642 ( -3.638 -0.487 1.293) 3.891 13.693 ( -1.381 2.842 -2.130) 3.811 14.122 ( 2.861 0.159 0.530) 2.914 14.238 ( 0.574 -4.075 -1.797) 4.490 ======================= Grid point 328 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 1.835 -0.607 1.212) 2.281 3.045 ( 5.579 -0.082 4.701) 7.296 3.221 ( -0.049 -5.487 -4.916) 7.367 4.832 ( 5.405 -5.022 0.741) 7.415 5.312 ( -4.676 1.297 4.034) 6.310 5.479 ( 8.897 -21.933 -2.271) 23.778 5.984 ( -9.403 -18.209 0.043) 20.494 6.168 ( -0.989 3.789 -3.584) 5.308 6.969 ( 12.869 -3.381 -1.610) 13.403 7.108 ( 9.758 -0.001 -1.006) 9.809 7.307 ( 8.321 -7.498 1.944) 11.368 7.953 ( -22.511 -3.031 1.768) 22.783 8.417 ( 15.029 19.228 1.606) 24.457 9.123 ( -4.924 8.565 -0.917) 9.922 10.820 ( -14.781 1.313 0.168) 14.840 11.070 ( 7.831 12.097 0.447) 14.417 11.639 ( -0.147 -11.247 -1.544) 11.353 13.594 ( -2.609 1.515 1.206) 3.249 13.724 ( 1.455 3.796 -1.635) 4.382 14.076 ( -3.890 -5.356 0.984) 6.692 14.259 ( 3.757 -1.016 -1.653) 4.229 ======================= Grid point 339 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -0.000 -1.921 5.403) 5.735 2.770 ( -0.000 -3.528 -0.294) 3.541 3.377 ( 0.000 -4.918 -7.207) 8.725 4.626 ( -0.000 -1.340 5.349) 5.515 4.989 ( 0.000 -3.669 -0.766) 3.748 5.107 ( -0.000 -12.784 0.875) 12.814 5.409 ( -0.000 7.433 3.121) 8.062 6.521 ( 0.000 2.085 -9.357) 9.587 6.946 ( -0.000 -1.045 7.898) 7.967 7.211 ( 0.000 8.934 -0.008) 8.934 7.414 ( 0.000 -11.390 -1.111) 11.444 7.582 ( -0.000 -15.019 1.403) 15.084 9.011 ( 0.000 2.712 -0.239) 2.722 9.713 ( 0.000 0.803 0.065) 0.806 10.351 ( -0.000 4.407 0.671) 4.458 11.106 ( 0.000 4.002 -1.495) 4.272 11.687 ( 0.000 0.866 -1.274) 1.540 13.552 ( -0.000 0.922 0.375) 0.995 13.951 ( 0.000 -1.059 -0.578) 1.206 13.956 ( 0.000 3.237 -1.074) 3.411 14.258 ( 0.000 -4.245 -1.736) 4.586 ======================= Grid point 340 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -0.922 -4.359 1.151) 4.601 2.783 ( 3.078 -3.615 4.357) 6.444 3.298 ( 0.062 -6.473 -7.593) 9.978 4.643 ( 1.807 -1.888 4.771) 5.440 5.044 ( 10.526 -17.896 -0.079) 20.762 5.065 ( 12.185 -4.248 -0.216) 12.906 5.518 ( 2.539 8.438 4.271) 9.793 6.477 ( -4.877 3.603 -9.419) 11.202 6.936 ( 1.908 -9.997 4.744) 11.228 7.150 ( -8.852 -5.684 -1.028) 10.570 7.343 ( -1.157 -16.679 3.190) 17.021 7.555 ( 11.494 6.508 0.499) 13.218 8.996 ( -6.268 1.631 0.602) 6.505 9.524 ( -18.293 3.194 -0.418) 18.575 10.522 ( 10.275 7.231 0.714) 12.584 11.236 ( 9.611 3.572 -1.640) 10.383 11.605 ( -9.961 1.493 -1.509) 10.185 13.597 ( 3.392 1.208 -0.048) 3.601 13.873 ( -5.776 -2.187 0.014) 6.176 14.016 ( 2.087 4.439 -0.611) 4.943 14.217 ( 1.201 -5.502 -2.265) 6.070 ======================= Grid point 341 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 0.731 -5.109 0.717) 5.210 2.835 ( 5.848 -4.008 5.165) 8.772 3.212 ( 0.475 -7.323 -7.072) 10.192 4.675 ( 3.237 -2.899 3.406) 5.521 5.059 ( 13.758 -21.106 -1.945) 25.269 5.269 ( 12.483 -3.875 2.304) 13.273 5.709 ( 11.402 5.763 3.645) 13.285 6.371 ( -8.906 3.384 -7.873) 12.359 6.779 ( 0.009 -22.978 -0.446) 22.982 7.024 ( -1.330 -3.155 0.635) 3.482 7.146 ( -1.371 -14.782 3.219) 15.190 7.904 ( 14.292 13.920 0.748) 19.964 8.775 ( -20.377 0.239 2.236) 20.501 9.329 ( -9.679 7.318 -1.207) 12.194 10.783 ( 9.857 10.263 0.733) 14.248 11.352 ( -8.691 -0.209 -0.214) 8.696 11.470 ( 2.858 1.986 -2.489) 4.278 13.662 ( 1.973 1.589 -0.592) 2.601 13.752 ( -5.056 -1.755 0.061) 5.352 14.098 ( 2.309 3.784 0.455) 4.456 14.168 ( 0.840 -6.375 -2.384) 6.858 ======================= Grid point 342 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 2.943 -4.730 0.376) 5.584 2.929 ( 7.982 -4.285 4.461) 10.098 3.132 ( 0.894 -7.241 -6.065) 9.488 4.712 ( 3.932 -3.770 1.432) 5.633 5.061 ( 12.591 -23.252 -2.241) 26.537 5.352 ( 1.766 -5.942 4.318) 7.555 5.921 ( 2.679 -6.213 2.813) 7.327 6.235 ( -3.723 4.908 -4.711) 7.755 6.660 ( 9.969 -12.034 -2.916) 15.897 6.967 ( 10.475 -19.723 -0.462) 22.337 7.115 ( 0.319 5.551 1.825) 5.852 8.160 ( -2.147 -1.547 -0.056) 2.647 8.527 ( -7.696 16.640 3.415) 18.649 9.285 ( -5.194 8.345 -1.039) 9.884 11.020 ( 3.187 2.166 0.112) 3.855 11.137 ( -11.058 10.277 0.422) 15.102 11.529 ( 2.263 -5.032 -1.580) 5.739 13.656 ( -2.643 1.226 0.934) 3.060 13.725 ( 1.088 1.411 -1.679) 2.448 14.087 ( -1.820 -5.256 1.328) 5.719 14.178 ( 3.253 0.431 -2.172) 3.935 ======================= Grid point 354 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -0.000 -7.611 -0.450) 7.624 2.719 ( -0.000 -6.533 4.146) 7.738 3.202 ( 0.000 -7.843 -7.613) 10.930 4.631 ( -0.000 -0.898 3.851) 3.955 4.757 ( -0.000 -21.128 0.334) 21.131 4.898 ( 0.000 -6.560 -0.693) 6.596 5.605 ( -0.000 8.788 6.004) 10.643 6.537 ( 0.000 5.676 -8.940) 10.589 6.743 ( -0.000 -26.510 -0.203) 26.511 7.116 ( -0.000 -24.585 2.546) 24.716 7.371 ( -0.000 1.792 3.908) 4.299 7.447 ( 0.000 14.369 0.868) 14.395 9.085 ( -0.000 4.757 0.586) 4.793 9.734 ( 0.000 1.401 -0.171) 1.411 10.457 ( -0.000 5.496 0.495) 5.518 11.215 ( 0.000 8.138 -1.963) 8.372 11.702 ( 0.000 1.689 -2.055) 2.660 13.577 ( -0.000 1.274 0.251) 1.299 13.921 ( 0.000 -1.568 -0.476) 1.639 14.019 ( -0.000 1.636 2.124) 2.681 14.146 ( 0.000 -4.086 -4.317) 5.944 ======================= Grid point 355 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 0.865 -9.739 -0.576) 9.794 2.689 ( 4.925 -9.919 2.411) 11.334 3.106 ( 0.423 -8.003 -6.242) 10.158 4.622 ( 4.836 -13.057 1.712) 14.029 4.646 ( 5.595 -11.133 0.499) 12.469 4.952 ( 13.687 -7.122 -0.489) 15.437 5.713 ( 1.611 6.691 7.142) 9.918 6.448 ( 0.869 -31.061 -1.722) 31.121 6.544 ( -2.557 4.718 -8.170) 9.774 6.837 ( -1.799 -29.090 1.394) 29.179 7.294 ( -10.032 10.617 4.650) 15.329 7.789 ( 14.760 13.402 1.100) 19.967 9.060 ( -9.817 4.286 1.448) 10.809 9.589 ( -13.976 3.876 -0.732) 14.522 10.657 ( 13.487 5.566 0.454) 14.597 11.331 ( 4.020 7.006 -1.517) 8.219 11.633 ( -8.998 2.596 -2.238) 9.629 13.622 ( 3.366 1.272 -0.222) 3.605 13.828 ( -6.251 -2.377 0.377) 6.698 14.060 ( 3.132 -6.355 1.098) 7.169 14.123 ( 0.465 3.870 -3.068) 4.961 ======================= Grid point 356 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 4.106 -10.410 -0.983) 11.233 2.709 ( 9.481 -12.252 0.606) 15.504 3.028 ( 1.147 -7.185 -4.139) 8.371 4.601 ( 11.155 -19.900 0.207) 22.814 4.651 ( 3.455 -5.165 -0.031) 6.214 5.124 ( 13.805 -12.227 0.608) 18.452 5.847 ( 5.962 3.173 6.377) 9.288 6.208 ( 4.463 -23.154 -0.030) 23.580 6.512 ( 1.045 -6.945 -4.488) 8.335 6.557 ( 0.194 -18.202 -3.139) 18.472 7.286 ( -6.875 13.702 3.331) 15.688 8.114 ( 8.547 7.048 -0.279) 11.082 8.873 ( -15.476 8.030 2.597) 17.628 9.461 ( -7.351 7.268 -0.925) 10.379 10.919 ( 10.470 1.903 0.465) 10.652 11.402 ( -5.658 6.100 -0.143) 8.322 11.506 ( -4.901 3.053 -1.961) 6.099 13.690 ( 2.784 1.321 -0.799) 3.183 13.723 ( -3.687 -0.810 0.340) 3.790 14.012 ( 1.466 -7.911 -1.336) 8.155 14.181 ( 0.385 3.960 0.391) 3.998 ======================= Grid point 369 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -0.000 -13.938 -0.870) 13.965 2.508 ( 0.000 -16.871 -1.575) 16.944 3.010 ( 0.000 -8.005 -4.395) 9.132 4.320 ( -0.000 -22.878 0.725) 22.889 4.642 ( -0.000 0.564 0.424) 0.705 4.748 ( -0.000 -8.522 -0.694) 8.550 5.764 ( -0.000 -0.587 9.288) 9.306 6.034 ( 0.000 -40.883 -3.446) 41.028 6.574 ( -0.000 -29.514 1.720) 29.564 6.642 ( 0.000 10.224 -7.249) 12.534 7.578 ( -0.000 13.803 4.869) 14.637 7.750 ( 0.000 15.578 1.231) 15.626 9.198 ( -0.000 6.162 1.108) 6.261 9.767 ( 0.000 2.194 -0.237) 2.207 10.552 ( 0.000 4.000 -0.581) 4.042 11.379 ( 0.000 8.897 -1.131) 8.968 11.727 ( 0.000 2.464 -2.985) 3.870 13.600 ( 0.000 1.044 -0.087) 1.048 13.887 ( -0.000 -1.732 0.003) 1.732 13.947 ( -0.000 -7.779 0.892) 7.830 14.151 ( 0.000 4.431 -1.413) 4.651 ======================= Grid point 370 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 3.229 -17.922 -2.550) 18.389 2.395 ( 8.225 -19.765 -2.252) 21.526 2.922 ( 1.038 -9.078 -3.120) 9.655 4.196 ( 9.421 -20.961 0.713) 22.992 4.621 ( -0.294 -1.719 0.557) 1.830 4.778 ( 10.806 -10.304 -2.463) 15.133 5.677 ( 13.116 -35.215 -0.403) 37.580 5.801 ( 2.039 -15.109 8.517) 17.464 6.288 ( -3.297 -21.213 -1.033) 21.492 6.692 ( -4.338 11.616 -5.464) 13.550 7.606 ( -10.354 17.861 4.526) 21.136 8.040 ( 10.223 11.598 -0.007) 15.460 9.174 ( -10.354 6.338 1.469) 12.228 9.669 ( -10.113 4.807 -0.499) 11.209 10.727 ( 13.072 1.368 -0.432) 13.151 11.465 ( 0.879 6.269 0.155) 6.333 11.679 ( -7.119 4.011 -3.121) 8.747 13.640 ( 3.208 0.748 -0.288) 3.307 13.793 ( -5.042 -1.438 0.575) 5.274 13.910 ( 1.073 -7.300 -1.266) 7.486 14.208 ( 1.458 4.061 0.933) 4.415 ======================= Grid point 384 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.000 -26.761 -5.223) 27.266 2.085 ( -0.000 -23.743 -1.753) 23.808 2.787 ( 0.000 -14.912 -3.659) 15.355 3.930 ( -0.000 -17.296 2.563) 17.485 4.563 ( 0.000 -9.821 -1.106) 9.883 4.640 ( 0.000 -1.204 -3.825) 4.010 5.125 ( -0.000 -42.313 -3.002) 42.419 5.623 ( -0.000 -28.950 12.945) 31.712 6.183 ( 0.000 -6.130 -1.739) 6.371 6.833 ( 0.000 12.116 -4.009) 12.762 7.930 ( -0.000 19.377 3.515) 19.694 8.043 ( 0.000 13.572 0.519) 13.582 9.332 ( -0.000 7.009 0.958) 7.074 9.819 ( 0.000 3.222 0.225) 3.230 10.592 ( 0.000 0.608 -2.177) 2.261 11.513 ( -0.000 4.427 0.718) 4.485 11.764 ( 0.000 3.427 -3.355) 4.796 13.615 ( 0.000 0.595 -0.258) 0.649 13.813 ( 0.000 -5.358 -0.701) 5.404 13.855 ( -0.000 -1.746 0.350) 1.781 14.229 ( -0.000 3.124 1.915) 3.664 ======================= Grid point 431 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -0.000 0.000 33.530) 33.530 0.637 ( -0.000 0.000 33.530) 33.530 1.164 ( -0.000 0.000 62.145) 62.145 3.447 ( 0.000 -0.000 -10.853) 10.853 3.447 ( 0.000 -0.000 -10.853) 10.853 4.195 ( -0.000 0.000 4.417) 4.417 4.195 ( -0.000 0.000 4.417) 4.417 5.890 ( 0.000 -0.000 -25.425) 25.425 6.787 ( -0.000 0.000 9.230) 9.230 7.413 ( -0.000 0.000 0.260) 0.260 8.464 ( -0.000 0.000 0.445) 0.445 8.464 ( -0.000 0.000 0.445) 0.445 8.853 ( 0.000 -0.000 -0.354) 0.354 9.973 ( 0.000 -0.000 -0.539) 0.539 9.973 ( 0.000 -0.000 -0.539) 0.539 11.545 ( -0.000 0.000 2.098) 2.098 12.736 ( 0.000 -0.000 -0.060) 0.060 13.632 ( -0.000 0.000 0.167) 0.167 13.632 ( -0.000 0.000 0.167) 0.167 13.784 ( -0.000 0.000 0.006) 0.006 13.784 ( -0.000 0.000 0.006) 0.006 ======================= Grid point 432 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 24.081 13.903 21.046) 34.873 1.184 ( 25.979 14.999 24.656) 38.831 1.703 ( 28.492 16.450 39.967) 51.766 3.498 ( 5.787 3.341 -9.654) 11.741 3.623 ( 18.390 10.617 -13.372) 25.094 4.243 ( 3.784 2.185 3.765) 5.768 4.362 ( 11.260 6.501 2.130) 13.176 5.549 ( -16.419 -9.480 0.179) 18.960 6.312 ( -14.980 -8.649 22.936) 28.728 7.223 ( -6.318 -3.648 4.414) 8.527 8.404 ( -4.832 -2.790 -0.041) 5.580 8.440 ( -9.250 -5.341 -19.371) 22.121 9.498 ( 17.119 9.883 -10.611) 22.435 9.960 ( -1.508 -0.871 -0.075) 1.743 9.993 ( 9.573 5.527 -6.091) 12.621 11.534 ( -0.966 -0.558 2.052) 2.335 12.326 ( -17.729 -10.236 17.036) 26.633 13.633 ( -0.134 -0.077 0.302) 0.339 13.700 ( -0.455 -0.263 -2.420) 2.477 13.795 ( 1.066 0.615 -0.013) 1.231 14.063 ( 14.031 8.101 -11.108) 19.644 ======================= Grid point 433 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 24.389 14.081 11.484) 30.413 1.802 ( 22.983 13.269 21.409) 34.097 2.393 ( 22.016 12.711 14.621) 29.327 3.650 ( 10.267 5.928 -6.447) 13.495 4.199 ( 34.767 20.073 -3.147) 40.269 4.379 ( 7.215 4.166 2.374) 8.663 4.573 ( 5.555 3.207 -0.552) 6.438 5.502 ( 11.551 6.669 2.653) 13.599 6.168 ( -5.090 -2.939 7.500) 9.529 7.071 ( -8.863 -5.117 4.302) 11.101 8.105 ( -14.046 -8.110 -16.022) 22.798 8.253 ( -8.429 -4.866 -0.628) 9.753 9.482 ( -7.094 -4.096 -0.864) 8.237 9.909 ( -2.925 -1.689 0.370) 3.398 10.289 ( 12.665 7.312 -7.341) 16.364 11.526 ( -0.430 -0.248 1.131) 1.236 12.058 ( -12.079 -6.974 9.139) 16.674 13.627 ( -0.492 -0.284 0.317) 0.650 13.730 ( 3.664 2.115 1.030) 4.354 13.829 ( 1.811 1.046 0.105) 2.094 14.203 ( 2.524 1.457 -6.968) 7.553 ======================= Grid point 434 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 17.891 10.329 5.608) 21.406 2.336 ( 19.358 11.176 15.016) 26.928 2.778 ( 11.151 6.438 5.361) 13.947 3.926 ( 15.682 9.054 -2.890) 18.338 4.563 ( 8.361 4.827 1.231) 9.732 4.593 ( 1.627 0.939 -2.186) 2.882 5.119 ( 40.983 23.662 2.495) 47.389 5.833 ( 7.961 4.596 -6.533) 11.278 6.187 ( 12.048 6.956 5.811) 15.077 6.860 ( -10.732 -6.196 5.718) 13.648 7.772 ( -11.204 -6.469 -10.781) 16.841 8.031 ( -10.966 -6.331 -0.969) 12.700 9.304 ( -7.935 -4.581 -2.008) 9.380 9.839 ( -3.230 -1.865 0.553) 3.770 10.473 ( 5.473 3.160 -1.785) 6.567 11.494 ( -3.670 -2.119 0.646) 4.286 11.823 ( -9.637 -5.564 3.501) 11.666 13.613 ( -0.774 -0.447 0.168) 0.909 13.853 ( 6.009 3.469 2.697) 7.444 13.872 ( 1.889 1.091 0.350) 2.209 14.179 ( -2.282 -1.318 -4.118) 4.889 ======================= Grid point 435 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 10.599 6.119 2.206) 12.436 2.748 ( 14.122 8.153 7.913) 18.125 2.975 ( 5.832 3.367 3.492) 7.585 4.321 ( 19.398 11.199 -0.782) 22.412 4.632 ( 2.961 1.710 -1.921) 3.922 4.745 ( 7.318 4.225 0.709) 8.480 5.662 ( -3.708 -2.141 -9.202) 10.149 6.110 ( 32.638 18.844 6.031) 38.167 6.564 ( 1.025 0.592 -1.301) 1.759 6.776 ( 15.457 8.924 7.970) 19.546 7.547 ( -6.607 -3.814 -6.808) 10.225 7.765 ( -12.348 -7.129 -0.876) 14.285 9.125 ( -7.214 -4.165 -2.704) 8.758 9.775 ( -2.527 -1.459 0.426) 2.948 10.535 ( 0.323 0.186 0.317) 0.490 11.341 ( -8.988 -5.189 0.509) 10.390 11.694 ( -3.054 -1.763 2.131) 4.120 13.594 ( -0.897 -0.518 -0.053) 1.037 13.912 ( 1.455 0.840 0.570) 1.775 13.948 ( -0.129 -0.074 -0.630) 0.647 14.137 ( 1.256 0.725 0.811) 1.662 ======================= Grid point 436 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 5.595 3.230 0.786) 6.508 3.007 ( 7.618 4.398 -2.699) 9.202 3.087 ( 3.670 2.119 7.087) 8.258 4.715 ( 4.840 2.794 -1.850) 5.887 4.754 ( 18.563 10.717 -0.437) 21.439 4.887 ( 5.073 2.929 0.626) 5.891 5.465 ( -8.926 -5.154 -4.927) 11.424 6.423 ( -5.296 -3.057 1.962) 6.422 6.837 ( 25.180 14.538 4.387) 29.405 7.252 ( 16.378 9.456 1.536) 18.974 7.442 ( 1.317 0.760 -5.776) 5.973 7.485 ( -12.154 -7.017 -0.431) 14.041 8.980 ( -4.725 -2.728 -1.483) 5.653 9.732 ( -1.406 -0.812 0.146) 1.630 10.491 ( -4.056 -2.342 -0.176) 4.686 11.165 ( -6.157 -3.555 1.197) 7.210 11.657 ( -1.313 -0.758 1.901) 2.431 13.574 ( -0.781 -0.451 -0.259) 0.938 13.867 ( -4.669 -2.696 -1.225) 5.529 13.939 ( 0.807 0.466 0.659) 1.141 14.223 ( 4.001 2.310 2.510) 5.257 ======================= Grid point 437 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 2.339 1.350 0.290) 2.716 3.076 ( 1.420 0.820 -7.350) 7.530 3.196 ( 2.960 1.709 6.645) 7.472 4.821 ( 4.654 2.687 -3.485) 6.404 4.972 ( 2.464 1.423 0.614) 2.911 5.112 ( 12.433 7.178 -0.726) 14.374 5.279 ( -6.293 -3.633 0.433) 7.279 6.337 ( -2.655 -1.533 2.257) 3.807 7.206 ( 4.138 2.389 -1.124) 4.909 7.241 ( -8.843 -5.106 0.011) 10.211 7.387 ( 7.267 4.196 -1.243) 8.483 7.679 ( 11.167 6.447 -1.536) 12.985 8.914 ( -1.125 -0.649 0.607) 1.433 9.711 ( -0.472 -0.273 -0.065) 0.549 10.384 ( -4.347 -2.510 -0.689) 5.066 11.075 ( -2.563 -1.480 1.079) 3.150 11.639 ( -0.779 -0.450 1.702) 1.925 13.560 ( -0.404 -0.233 -0.384) 0.604 13.780 ( -2.570 -1.484 1.254) 3.221 13.952 ( 0.173 0.100 0.587) 0.620 14.297 ( 1.790 1.034 1.494) 2.551 ======================= Grid point 438 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -0.282 -0.163 0.036) 0.327 3.055 ( -1.066 -0.615 -7.852) 7.948 3.241 ( -0.448 -0.259 4.325) 4.356 4.856 ( -0.989 -0.571 -5.741) 5.854 5.000 ( -0.130 -0.075 0.621) 0.639 5.238 ( 2.819 1.627 4.770) 5.775 5.263 ( 0.449 0.259 -0.765) 0.924 6.316 ( -0.058 -0.034 2.537) 2.537 7.127 ( -0.518 -0.299 -0.079) 0.603 7.195 ( -1.018 -0.588 -5.333) 5.461 7.499 ( -0.187 -0.108 0.466) 0.514 7.802 ( -0.116 -0.067 -1.464) 1.470 8.918 ( 0.842 0.486 1.802) 2.047 9.707 ( 0.082 0.047 -0.093) 0.133 10.329 ( 0.061 0.035 -0.668) 0.672 11.044 ( -0.477 -0.275 0.507) 0.748 11.634 ( -0.173 -0.100 1.575) 1.588 13.555 ( 0.131 0.076 -0.390) 0.418 13.773 ( 1.365 0.788 3.559) 3.893 13.951 ( -0.351 -0.202 0.383) 0.557 14.307 ( -1.148 -0.663 0.356) 1.373 ======================= Grid point 439 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -3.019 -1.743 -0.221) 3.494 2.977 ( -4.006 -2.313 -7.587) 8.886 3.205 ( -3.687 -2.129 3.361) 5.424 4.773 ( -3.906 -2.255 -4.124) 6.112 4.970 ( -2.759 -1.593 0.467) 3.220 5.123 ( -12.038 -6.950 -0.216) 13.902 5.405 ( 9.736 5.621 3.999) 11.932 6.345 ( 1.955 1.129 2.612) 3.453 7.131 ( -5.964 -3.443 -4.625) 8.296 7.222 ( 8.509 4.913 -0.713) 9.851 7.385 ( -7.567 -4.369 -0.005) 8.737 7.657 ( -11.871 -6.854 -2.896) 14.010 8.968 ( 3.274 1.890 2.486) 4.525 9.714 ( 0.492 0.284 0.019) 0.568 10.378 ( 3.956 2.284 -0.949) 4.666 11.065 ( 2.522 1.456 0.899) 3.048 11.642 ( 0.455 0.263 1.611) 1.695 13.563 ( 0.623 0.360 -0.269) 0.768 13.858 ( 4.787 2.764 4.599) 7.190 13.939 ( -0.771 -0.445 0.108) 0.897 14.247 ( -4.149 -2.396 -0.747) 4.849 ======================= Grid point 440 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -6.691 -3.863 -0.444) 7.738 2.811 ( -9.534 -5.505 -5.223) 12.185 3.108 ( -5.460 -3.152 2.359) 6.731 4.685 ( -2.814 -1.625 -2.077) 3.857 4.762 ( -18.551 -10.711 -0.141) 21.421 4.885 ( -5.452 -3.148 0.573) 6.322 5.656 ( 10.990 6.345 1.190) 12.745 6.425 ( 4.722 2.726 2.896) 6.174 6.741 ( -27.071 -15.630 -0.348) 31.261 7.164 ( -19.935 -11.510 -2.668) 23.174 7.445 ( 2.180 1.259 -3.700) 4.475 7.466 ( 12.774 7.375 -1.140) 14.794 9.075 ( 5.289 3.054 1.764) 6.357 9.731 ( 1.096 0.633 0.122) 1.271 10.471 ( 4.062 2.345 -0.907) 4.777 11.176 ( 7.034 4.061 1.896) 8.341 11.664 ( 1.036 0.598 1.883) 2.232 13.580 ( 0.875 0.505 -0.060) 1.012 13.918 ( -1.125 -0.649 -0.157) 1.308 13.997 ( 5.907 3.410 4.410) 8.122 14.122 ( -6.404 -3.698 -1.973) 7.654 ======================= Grid point 441 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -12.465 -7.196 -0.165) 14.394 2.504 ( -16.998 -9.814 -0.877) 19.647 2.981 ( -6.666 -3.849 1.982) 7.949 4.326 ( -19.322 -11.155 -0.557) 22.318 4.641 ( -0.821 -0.474 0.313) 0.999 4.742 ( -7.462 -4.308 0.543) 8.633 5.838 ( 2.218 1.281 -6.189) 6.698 6.006 ( -35.767 -20.650 2.646) 41.385 6.577 ( -8.654 -4.996 1.944) 10.180 6.604 ( -9.339 -5.392 -0.170) 10.785 7.613 ( 11.830 6.830 -2.759) 13.935 7.761 ( 13.362 7.714 -1.040) 15.464 9.203 ( 5.759 3.325 0.044) 6.650 9.765 ( 1.969 1.137 0.058) 2.275 10.546 ( 2.733 1.578 0.672) 3.227 11.366 ( 8.421 4.862 1.468) 9.834 11.701 ( 1.821 1.051 2.402) 3.192 13.599 ( 0.807 0.466 0.149) 0.943 13.889 ( -1.398 -0.807 -0.330) 1.648 13.954 ( -7.319 -4.225 -0.610) 8.473 14.139 ( 5.220 3.014 1.078) 6.123 ======================= Grid point 446 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -0.000 25.348 22.478) 33.879 1.250 ( -0.000 28.533 24.329) 37.497 1.855 ( -0.000 30.704 42.732) 52.618 3.397 ( 0.000 4.755 -11.705) 12.634 3.667 ( 0.000 25.545 -12.945) 28.638 4.283 ( -0.000 5.123 3.862) 6.415 4.348 ( -0.000 13.840 2.368) 14.041 5.459 ( 0.000 -24.979 -6.557) 25.825 6.357 ( -0.000 -20.963 22.203) 30.536 7.242 ( -0.000 -6.744 4.468) 8.089 8.408 ( 0.000 -8.598 -18.135) 20.070 8.423 ( -0.000 -5.105 0.406) 5.121 9.452 ( 0.000 19.523 -8.800) 21.415 9.936 ( 0.000 -2.495 -0.632) 2.574 10.061 ( 0.000 17.413 -5.746) 18.337 11.538 ( -0.000 -1.669 2.357) 2.889 12.330 ( -0.000 -23.794 15.037) 28.147 13.630 ( -0.000 -0.113 0.243) 0.268 13.794 ( 0.000 0.967 -0.045) 0.968 13.798 ( -0.000 0.982 0.707) 1.210 13.945 ( 0.000 15.525 -12.018) 19.633 ======================= Grid point 447 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 13.738 23.265 14.557) 30.690 1.713 ( 14.049 21.479 21.570) 33.526 2.361 ( 10.160 24.979 23.688) 35.893 3.532 ( 10.112 9.044 -8.650) 16.090 3.994 ( 11.792 28.711 -3.451) 31.229 4.426 ( 6.102 14.055 -0.376) 15.327 4.539 ( 3.050 12.069 -0.813) 12.475 5.304 ( 9.479 -10.171 -0.113) 13.904 6.224 ( -3.972 -8.406 10.730) 14.198 7.147 ( -5.015 -6.743 4.815) 9.684 8.145 ( -9.639 -12.773 -16.375) 22.896 8.348 ( -4.207 -4.075 -0.836) 5.917 9.477 ( -2.747 -7.311 -1.295) 7.917 9.866 ( -2.382 -4.973 -0.330) 5.524 10.325 ( 5.818 23.100 -7.866) 25.087 11.530 ( 0.018 -0.908 1.809) 2.024 12.126 ( -5.608 -15.552 10.504) 19.587 13.668 ( 4.118 0.638 0.690) 4.224 13.713 ( -6.332 3.406 -0.083) 7.191 13.813 ( 0.528 0.317 1.246) 1.390 14.127 ( 6.659 4.680 -8.497) 11.766 ======================= Grid point 448 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 14.706 16.040 7.855) 23.135 2.211 ( 16.165 15.609 15.160) 27.107 2.739 ( 7.005 13.055 10.833) 18.354 3.814 ( 11.682 15.050 -4.295) 19.531 4.455 ( 12.421 10.503 1.527) 16.338 4.615 ( -0.271 4.822 -2.056) 5.250 4.872 ( 21.958 35.718 -0.736) 41.935 5.606 ( 23.254 6.973 -2.936) 24.454 6.125 ( -1.746 -4.643 4.536) 6.722 6.976 ( -8.657 -7.634 6.310) 13.154 7.803 ( -9.100 -13.194 -12.970) 20.619 8.198 ( -10.300 -0.842 -0.672) 10.357 9.306 ( -3.987 -12.343 -1.160) 13.023 9.774 ( -0.604 -8.617 0.363) 8.646 10.565 ( 0.777 18.017 -3.404) 18.353 11.526 ( -0.862 -0.506 1.252) 1.603 11.890 ( -8.309 -13.131 4.430) 16.158 13.664 ( -2.929 2.418 0.281) 3.808 13.783 ( 5.797 2.539 1.445) 6.491 13.832 ( 1.921 -0.784 2.315) 3.108 14.186 ( 0.415 1.048 -5.730) 5.840 ======================= Grid point 449 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 11.001 8.816 3.465) 14.517 2.626 ( 13.801 10.108 6.658) 18.357 2.953 ( 4.288 7.182 7.965) 11.551 4.190 ( 13.987 19.070 -1.114) 23.675 4.596 ( 2.619 1.807 -3.118) 4.455 4.748 ( 3.912 13.296 0.023) 13.859 5.602 ( 16.701 17.497 -4.476) 24.599 5.912 ( 10.733 13.899 0.834) 17.580 6.323 ( 24.593 4.666 0.204) 25.033 6.779 ( -7.233 -6.202 8.600) 12.836 7.532 ( -4.791 -11.627 -8.234) 15.031 7.989 ( -14.789 2.176 -0.989) 14.981 9.121 ( -2.677 -12.525 -2.548) 13.059 9.683 ( 1.110 -11.213 0.865) 11.301 10.684 ( -4.777 14.613 -0.444) 15.380 11.458 ( -7.817 -1.731 0.643) 8.032 11.675 ( -2.138 -11.024 2.238) 11.450 13.645 ( -2.964 3.003 0.404) 4.238 13.833 ( 3.327 -4.374 -0.108) 5.497 13.934 ( 4.214 2.879 2.892) 5.866 14.162 ( -1.640 1.486 -2.588) 3.406 ======================= Grid point 450 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 7.020 3.964 1.222) 8.153 2.896 ( 9.280 3.990 -2.920) 10.515 3.095 ( 2.645 5.539 9.284) 11.130 4.609 ( 12.615 14.175 -1.673) 19.049 4.679 ( 5.926 8.578 -1.067) 10.480 4.921 ( 1.227 12.876 -0.314) 12.938 5.576 ( -9.277 -0.251 -5.809) 10.949 6.450 ( 4.430 0.835 2.715) 5.262 6.606 ( 18.520 15.477 4.858) 24.620 6.950 ( 23.446 4.094 2.180) 23.900 7.365 ( -0.123 -8.987 -5.704) 10.645 7.748 ( -16.889 4.181 -1.231) 17.442 8.970 ( -0.907 -10.060 -2.205) 10.339 9.603 ( 3.315 -13.445 0.805) 13.871 10.677 ( -10.397 9.986 -0.231) 14.418 11.286 ( -8.636 -0.332 0.830) 8.683 11.606 ( 2.265 -8.147 2.244) 8.749 13.619 ( -3.178 2.239 0.193) 3.893 13.838 ( 2.402 -4.679 -0.735) 5.310 13.966 ( -2.235 0.655 0.640) 2.415 14.199 ( 3.006 3.366 1.548) 4.771 ======================= Grid point 451 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 4.106 1.047 0.371) 4.254 3.009 ( 4.466 0.526 -8.159) 9.316 3.207 ( 1.574 3.854 8.584) 9.540 4.758 ( 5.110 3.526 -3.963) 7.366 5.017 ( 3.683 12.458 0.283) 12.994 5.047 ( 5.592 15.081 -0.201) 16.086 5.406 ( -9.778 2.327 -1.090) 10.109 6.369 ( -3.770 -4.207 4.267) 7.080 7.114 ( 12.652 9.463 1.674) 15.888 7.192 ( 7.794 -4.720 -0.471) 9.124 7.428 ( 6.226 -0.322 -6.975) 9.355 7.544 ( -3.911 6.250 1.123) 7.458 8.898 ( 1.604 -4.949 -0.238) 5.207 9.539 ( 5.931 -16.245 0.339) 17.297 10.546 ( -11.707 4.319 -0.721) 12.499 11.200 ( -6.394 6.772 1.129) 9.382 11.579 ( 2.872 -7.919 2.055) 8.671 13.587 ( -2.284 0.879 0.115) 2.450 13.818 ( -1.117 -0.647 0.068) 1.293 13.936 ( -0.612 -1.400 1.062) 1.861 14.285 ( 2.412 2.343 1.599) 3.724 ======================= Grid point 452 (160/288) ======================= q-point: ( 0.64 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 1.746 -0.664 0.055) 1.868 3.029 ( 1.082 0.125 -9.212) 9.276 3.266 ( -0.325 1.100 6.351) 6.454 4.839 ( 1.789 2.416 -6.158) 6.853 5.073 ( -2.297 6.760 1.014) 7.212 5.297 ( 1.890 11.678 -0.312) 11.834 5.315 ( -6.196 7.549 2.546) 10.093 6.303 ( -0.759 -4.221 4.569) 6.266 7.157 ( 1.319 1.321 -2.784) 3.352 7.240 ( -8.770 0.506 -3.292) 9.381 7.449 ( 6.221 0.982 0.343) 6.308 7.719 ( 8.271 -1.488 -1.312) 8.505 8.913 ( 1.755 0.194 1.382) 2.243 9.491 ( 9.300 -19.455 -0.226) 21.565 10.420 ( -6.482 3.935 -0.544) 7.602 11.181 ( -7.075 11.096 0.635) 13.175 11.562 ( 3.719 -8.189 1.737) 9.160 13.568 ( -0.882 0.691 0.423) 1.197 13.809 ( -1.427 3.434 2.133) 4.287 13.921 ( 1.062 -3.463 0.676) 3.685 14.323 ( -0.193 0.816 0.789) 1.152 ======================= Grid point 453 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -0.869 -1.689 -0.123) 1.903 2.996 ( -2.025 0.277 -8.981) 9.210 3.256 ( -2.851 -1.220 5.129) 5.994 4.809 ( -3.541 -0.196 -5.531) 6.570 5.096 ( -5.153 8.637 0.904) 10.098 5.302 ( -10.720 4.023 -0.237) 11.453 5.365 ( 2.321 8.598 3.098) 9.429 6.295 ( 2.939 -3.941 4.192) 6.461 7.120 ( -2.299 -1.841 -4.042) 5.001 7.223 ( 0.264 6.732 -2.645) 7.238 7.459 ( -2.675 -2.426 0.597) 3.660 7.711 ( -3.520 -7.771 -1.911) 8.742 8.944 ( 1.160 0.219 2.063) 2.377 9.483 ( 12.124 -18.973 -0.431) 22.520 10.422 ( -0.096 7.849 -0.519) 7.867 11.176 ( -6.835 11.924 0.663) 13.761 11.558 ( 4.856 -8.285 1.534) 9.725 13.573 ( -0.117 1.689 0.436) 1.748 13.858 ( 0.992 5.132 3.786) 6.454 13.905 ( 1.622 -4.591 0.076) 4.869 14.296 ( -3.240 -0.667 -0.025) 3.308 ======================= Grid point 454 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -4.314 -2.725 -0.251) 5.108 2.904 ( -6.418 -0.142 -7.320) 9.736 3.180 ( -5.360 -2.808 4.452) 7.512 4.721 ( -4.024 -0.689 -3.427) 5.330 5.039 ( -19.729 -1.809 0.441) 19.817 5.057 ( -10.981 9.712 0.465) 14.667 5.556 ( 8.757 7.970 0.869) 11.873 6.349 ( 5.729 -2.352 3.955) 7.348 7.003 ( -17.104 -7.757 -2.520) 18.949 7.151 ( 3.184 -8.423 -1.064) 9.067 7.407 ( -12.042 -8.512 -3.731) 15.211 7.565 ( 1.061 12.680 -0.422) 12.731 8.988 ( 5.250 -2.938 1.498) 6.200 9.520 ( 11.679 -14.934 -0.042) 18.958 10.538 ( 1.281 12.421 -0.906) 12.519 11.204 ( -2.373 10.253 1.582) 10.643 11.575 ( 5.770 -7.739 1.610) 9.787 13.595 ( -0.153 2.734 0.222) 2.747 13.872 ( 1.066 -5.295 0.132) 5.402 13.971 ( 4.057 4.871 3.654) 7.317 14.204 ( -6.091 -1.679 -0.752) 6.363 ======================= Grid point 455 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( -9.327 -4.364 0.013) 10.298 2.714 ( -13.696 -1.602 -3.040) 14.120 3.062 ( -6.283 -3.223 3.354) 7.817 4.628 ( -23.173 -3.365 0.031) 23.416 4.656 ( -3.374 -0.536 -1.236) 3.633 4.946 ( -13.343 8.376 0.704) 15.770 5.766 ( 7.125 5.607 -3.954) 9.891 6.434 ( -25.607 -13.817 1.223) 29.122 6.484 ( 2.170 -0.428 4.659) 5.157 6.852 ( -23.951 -17.212 -1.740) 29.546 7.335 ( 14.129 -3.389 -4.174) 15.118 7.796 ( 4.385 18.838 -0.364) 19.345 9.069 ( 8.846 -5.530 -0.316) 10.437 9.583 ( 10.418 -10.490 0.458) 14.792 10.662 ( -2.426 14.472 -0.581) 14.685 11.315 ( 4.367 7.491 1.799) 8.855 11.613 ( 6.330 -6.458 2.088) 9.281 13.620 ( -0.504 3.286 0.204) 3.330 13.833 ( 1.192 -6.396 -0.578) 6.531 14.055 ( -6.291 -2.578 2.453) 7.228 14.110 ( 2.919 4.814 -0.541) 5.656 ======================= Grid point 461 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -0.000 24.556 12.761) 27.674 1.886 ( -0.000 22.680 19.840) 30.133 2.602 ( -0.000 22.399 19.852) 29.930 3.516 ( 0.000 14.173 -7.908) 16.230 4.276 ( 0.000 41.668 -0.634) 41.673 4.428 ( -0.000 7.553 2.243) 7.879 4.680 ( 0.000 15.440 -7.921) 17.353 5.115 ( -0.000 -3.673 1.947) 4.158 6.210 ( -0.000 -6.194 7.242) 9.530 7.133 ( -0.000 -7.803 5.437) 9.510 8.068 ( 0.000 -14.509 -15.787) 21.442 8.269 ( -0.000 -10.623 -0.462) 10.633 9.452 ( 0.000 -6.986 -1.224) 7.092 9.879 ( -0.000 -3.007 0.052) 3.007 10.425 ( 0.000 17.166 -6.862) 18.487 11.522 ( -0.000 -1.182 1.503) 1.912 12.056 ( -0.000 -13.480 8.936) 16.173 13.630 ( -0.000 -0.209 0.366) 0.422 13.818 ( 0.000 1.554 -0.026) 1.554 13.819 ( -0.000 0.448 3.043) 3.076 14.085 ( 0.000 6.812 -8.066) 10.557 ======================= Grid point 462 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 7.138 19.106 7.819) 21.844 2.212 ( 7.884 17.467 14.277) 23.897 2.844 ( 1.628 13.681 12.767) 18.783 3.764 ( 11.272 18.687 -4.175) 22.219 4.473 ( 0.300 12.989 0.804) 13.017 4.668 ( 0.239 7.671 -1.481) 7.816 4.946 ( 14.614 38.082 -5.535) 41.164 5.316 ( 15.595 12.230 1.976) 19.917 6.156 ( -3.494 -1.727 2.871) 4.841 7.034 ( -4.720 -8.330 7.163) 11.957 7.771 ( -9.010 -15.723 -12.852) 22.216 8.219 ( 3.727 -8.532 -1.432) 9.420 9.294 ( -8.164 -9.609 -0.956) 12.645 9.772 ( -6.289 -4.668 0.341) 7.839 10.631 ( 7.855 11.199 -3.885) 14.220 11.519 ( 0.558 -1.587 1.087) 2.003 11.906 ( -6.457 -11.341 4.678) 13.863 13.660 ( 3.140 -0.660 0.405) 3.234 13.795 ( -2.453 1.053 0.173) 2.675 13.840 ( -0.319 3.708 3.889) 5.382 14.151 ( 2.739 2.552 -5.844) 6.940 ======================= Grid point 463 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 7.462 11.872 4.030) 14.590 2.537 ( 10.125 10.409 5.528) 15.538 3.015 ( 1.784 9.270 10.626) 14.214 4.171 ( 13.105 22.318 -0.916) 25.898 4.559 ( 2.442 2.365 -4.069) 5.302 4.820 ( 5.247 14.882 -1.413) 15.843 5.539 ( 13.971 27.478 -2.073) 30.896 5.803 ( 22.271 14.877 -1.155) 26.808 6.125 ( 0.744 8.105 1.701) 8.315 6.869 ( -7.738 -7.922 9.070) 14.314 7.458 ( -5.598 -14.651 -9.181) 18.174 8.180 ( -2.917 -1.432 -0.913) 3.375 9.031 ( -7.522 -13.882 -2.161) 15.936 9.623 ( -4.446 -7.423 0.758) 8.685 10.831 ( 4.047 9.899 -1.347) 10.779 11.514 ( 0.767 -2.374 1.404) 2.863 11.655 ( -10.667 -11.287 1.090) 15.568 13.701 ( 0.823 1.373 0.747) 1.767 13.763 ( -0.207 -3.215 0.382) 3.244 13.921 ( 2.346 5.912 3.749) 7.384 14.173 ( 0.313 0.602 -3.960) 4.017 ======================= Grid point 464 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 5.622 5.921 1.889) 8.380 2.769 ( 8.671 3.818 -2.758) 9.867 3.157 ( 1.477 7.469 10.106) 12.654 4.557 ( 7.736 10.603 -3.527) 13.591 4.682 ( 8.750 16.370 0.749) 18.577 5.035 ( 2.547 14.915 -2.779) 15.384 5.727 ( -5.811 5.765 -4.220) 9.209 6.268 ( 20.336 9.234 0.571) 22.342 6.516 ( 16.687 21.031 1.628) 26.896 6.740 ( 0.727 -2.814 8.704) 9.176 7.250 ( -1.038 -12.143 -6.163) 13.657 8.067 ( -13.062 5.430 -0.414) 14.152 8.801 ( 0.676 -18.116 -3.172) 18.404 9.484 ( -2.604 -9.670 1.110) 10.075 10.926 ( -5.013 9.454 -0.352) 10.707 11.383 ( -6.611 -11.265 -0.093) 13.062 11.510 ( 0.313 -1.445 2.105) 2.572 13.688 ( -2.704 -1.140 0.461) 2.970 13.760 ( 2.130 -0.808 0.220) 2.288 14.004 ( -0.201 2.958 1.774) 3.455 14.186 ( 1.996 1.803 -0.699) 2.779 ======================= Grid point 465 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 3.914 1.486 0.681) 4.241 2.897 ( 6.250 0.926 -7.327) 9.675 3.263 ( 0.355 4.974 8.395) 9.764 4.693 ( 5.503 4.194 -4.270) 8.131 5.075 ( 9.071 23.128 1.978) 24.921 5.157 ( -0.908 9.547 -2.673) 9.956 5.646 ( -10.469 11.543 -1.495) 15.655 6.405 ( -2.698 -4.631 6.628) 8.524 6.940 ( 19.296 6.015 2.766) 20.400 7.024 ( 12.193 10.205 -0.574) 15.910 7.180 ( 9.204 -5.433 -5.865) 12.191 7.845 ( -18.609 5.154 -0.586) 19.318 8.707 ( 8.744 -15.561 -2.032) 17.965 9.351 ( -1.188 -12.203 1.069) 12.307 10.804 ( -14.572 2.895 -0.718) 14.874 11.278 ( 3.309 -6.507 0.285) 7.305 11.511 ( -1.789 2.660 2.424) 4.019 13.627 ( -2.262 -2.106 0.362) 3.112 13.790 ( 1.816 -0.524 0.120) 1.894 13.989 ( -3.722 2.111 0.935) 4.380 14.262 ( 3.463 2.106 1.008) 4.176 ======================= Grid point 466 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 2.911 -1.113 -0.097) 3.118 2.964 ( 3.695 0.953 -8.806) 9.597 3.314 ( -1.046 1.999 6.693) 7.063 4.806 ( 4.032 4.617 -5.423) 8.184 5.165 ( -2.459 3.198 -0.451) 4.059 5.416 ( 3.289 20.835 1.330) 21.135 5.606 ( -11.485 17.753 0.393) 21.148 6.313 ( -3.906 -5.585 7.626) 10.228 7.097 ( 5.932 1.155 -3.742) 7.108 7.320 ( 8.771 5.397 1.827) 10.459 7.354 ( 6.508 -2.286 -6.070) 9.188 7.610 ( -7.153 0.008 0.317) 7.160 8.776 ( 13.290 -8.479 -0.333) 15.768 9.203 ( -0.411 -16.503 0.638) 16.521 10.590 ( -10.963 1.299 -0.535) 11.053 11.300 ( 5.543 -6.402 0.429) 8.479 11.509 ( -5.524 7.918 1.844) 9.829 13.585 ( -0.845 -1.265 1.257) 1.974 13.808 ( 2.223 -2.757 -0.159) 3.545 13.953 ( -4.209 4.211 1.519) 6.144 14.324 ( 1.579 0.868 0.750) 1.952 ======================= Grid point 467 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 1.555 -1.882 -0.510) 2.495 2.988 ( 0.815 1.732 -8.838) 9.043 3.310 ( -2.515 -0.414 5.773) 6.311 4.851 ( -1.720 2.958 -6.051) 6.952 5.183 ( 1.676 3.587 1.118) 4.114 5.553 ( -9.533 13.155 0.949) 16.274 5.602 ( -10.027 20.385 0.763) 22.731 6.235 ( -0.469 -6.126 6.913) 9.249 7.179 ( -5.921 -1.444 -5.699) 8.344 7.273 ( 1.432 7.955 -1.928) 8.310 7.435 ( 2.123 -1.182 0.800) 2.558 7.613 ( 4.590 -7.977 -1.091) 9.268 8.940 ( 5.025 1.484 1.224) 5.380 9.038 ( 9.585 -25.771 -0.598) 27.502 10.501 ( -2.625 5.095 -0.292) 5.739 11.331 ( 6.978 -9.312 0.788) 11.663 11.483 ( -9.268 11.436 1.017) 14.755 13.585 ( 0.632 0.282 1.956) 2.075 13.809 ( 2.793 -5.771 -0.458) 6.428 13.949 ( -3.037 6.841 2.097) 7.773 14.331 ( -1.242 -0.575 0.299) 1.401 ======================= Grid point 468 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -1.206 -1.907 -0.649) 2.348 2.968 ( -2.647 2.407 -8.161) 8.911 3.256 ( -4.532 -2.120 5.582) 7.497 4.788 ( -5.080 1.089 -4.124) 6.634 5.271 ( -0.107 7.178 0.152) 7.180 5.399 ( -18.432 4.979 0.773) 19.108 5.635 ( -7.645 18.459 0.678) 19.991 6.235 ( 4.338 -4.918 5.562) 8.599 7.051 ( -1.851 -2.826 -2.932) 4.473 7.186 ( -11.996 -8.906 -2.177) 15.098 7.484 ( -7.080 -7.825 -2.156) 10.771 7.624 ( 7.583 13.363 0.362) 15.369 8.844 ( 2.741 -16.247 0.141) 16.477 9.164 ( 14.469 -7.767 0.390) 16.427 10.594 ( 4.156 10.143 -0.507) 10.973 11.354 ( 7.819 -12.924 1.106) 15.146 11.439 ( -9.487 12.925 1.013) 16.065 13.616 ( 0.956 1.808 1.639) 2.621 13.788 ( 2.211 -6.602 -0.592) 6.988 13.999 ( 0.063 6.812 2.441) 7.236 14.273 ( -4.141 -1.919 -0.053) 4.565 ======================= Grid point 469 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -5.460 -1.980 -0.389) 5.821 2.887 ( -7.650 2.650 -6.000) 10.077 3.154 ( -6.471 -3.046 5.517) 9.032 4.703 ( -4.436 0.583 -2.467) 5.110 5.042 ( -24.960 0.833 1.559) 25.022 5.283 ( -10.674 10.330 -0.749) 14.873 5.738 ( 1.570 12.314 -2.283) 12.622 6.310 ( 8.003 -5.003 5.205) 10.778 6.779 ( -21.189 -12.490 -0.452) 24.600 7.028 ( -5.317 -4.065 -0.416) 6.705 7.176 ( -8.711 -8.468 -3.314) 12.592 7.908 ( 4.809 18.977 0.038) 19.577 8.793 ( 10.635 -16.611 -1.467) 19.779 9.319 ( 11.195 -4.840 0.931) 12.232 10.790 ( 3.995 13.638 -0.871) 14.238 11.346 ( 4.020 -7.413 0.957) 8.487 11.449 ( 0.112 3.728 1.829) 4.153 13.655 ( 0.601 2.550 0.918) 2.776 13.754 ( 1.062 -5.485 -0.534) 5.613 14.087 ( 2.271 4.708 2.623) 5.848 14.160 ( -6.027 -2.646 -0.683) 6.618 ======================= Grid point 476 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -0.000 17.471 5.794) 18.407 2.352 ( -0.000 14.878 11.225) 18.637 2.990 ( -0.000 10.598 11.705) 15.790 3.844 ( 0.000 22.307 -2.809) 22.483 4.596 ( -0.000 8.607 1.000) 8.665 4.644 ( 0.000 -3.628 -7.804) 8.606 5.229 ( 0.000 49.652 3.932) 49.808 5.375 ( 0.000 17.881 -2.136) 18.008 6.213 ( -0.000 6.008 1.665) 6.234 7.016 ( -0.000 -8.408 8.624) 12.044 7.686 ( 0.000 -14.962 -13.063) 19.862 8.018 ( -0.000 -14.299 -0.987) 14.333 9.291 ( 0.000 -7.899 -1.581) 8.056 9.825 ( -0.000 -2.791 0.561) 2.847 10.586 ( 0.000 3.072 -2.242) 3.803 11.492 ( -0.000 -3.273 0.324) 3.289 11.891 ( -0.000 -7.652 3.582) 8.449 13.622 ( -0.000 -0.832 0.161) 0.848 13.854 ( -0.000 2.043 0.356) 2.074 13.865 ( -0.000 2.377 2.819) 3.687 14.141 ( 0.000 3.209 -3.749) 4.935 ======================= Grid point 477 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 3.180 12.831 3.378) 13.644 2.534 ( 3.864 9.283 5.466) 11.445 3.121 ( 0.415 8.940 10.598) 13.871 4.173 ( 11.509 23.788 -0.809) 26.438 4.550 ( -1.201 0.792 -5.161) 5.357 4.797 ( 9.723 8.311 -1.691) 12.902 5.547 ( 6.180 7.568 -4.411) 10.720 5.792 ( 8.633 41.584 4.440) 42.702 6.297 ( -2.764 17.900 0.070) 18.112 6.927 ( -4.462 -7.854 10.506) 13.855 7.404 ( -8.394 -14.109 -9.902) 19.172 8.005 ( 11.435 -12.122 -1.876) 16.769 9.118 ( -11.012 -7.219 -2.003) 13.318 9.688 ( -9.600 -4.376 0.714) 10.575 10.719 ( 12.088 0.143 -0.866) 12.120 11.460 ( 1.006 -5.113 0.136) 5.213 11.757 ( -8.845 -5.941 1.485) 10.758 13.651 ( 4.000 -0.866 0.380) 4.110 13.796 ( -4.916 0.341 0.652) 4.970 13.959 ( 2.856 4.936 2.155) 6.096 14.161 ( 0.174 1.417 -2.312) 2.717 ======================= Grid point 478 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 2.804 7.521 2.339) 8.360 2.681 ( 5.235 4.109 -1.058) 6.739 3.242 ( 0.682 7.520 8.994) 11.743 4.527 ( 4.201 6.653 -4.191) 8.915 4.676 ( 13.308 19.590 0.952) 23.702 5.056 ( 9.085 10.348 -3.581) 14.228 5.698 ( 10.404 -1.971 -2.935) 10.988 6.219 ( 1.479 24.822 1.033) 24.888 6.562 ( 7.729 28.905 0.656) 29.928 6.798 ( -6.084 -5.206 11.085) 13.675 7.148 ( -3.679 -11.526 -6.860) 13.909 8.094 ( 10.241 -7.617 -1.388) 12.838 8.790 ( -17.277 -8.158 -2.573) 19.279 9.490 ( -7.175 -6.915 0.880) 10.004 10.912 ( 10.561 -1.675 0.026) 10.693 11.398 ( -5.895 -6.958 -0.431) 9.130 11.553 ( -5.711 -1.688 0.976) 6.035 13.702 ( -0.258 -2.785 -0.062) 2.797 13.736 ( 0.111 1.472 1.095) 1.838 14.045 ( 1.007 3.801 0.857) 4.025 14.170 ( 0.671 1.558 -0.435) 1.751 ======================= Grid point 479 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 1.661 1.866 1.298) 2.815 2.793 ( 5.459 2.671 -5.026) 7.887 3.334 ( -0.105 4.879 6.760) 8.337 4.631 ( 5.205 4.293 -3.459) 7.582 5.134 ( 12.885 23.642 2.164) 27.012 5.212 ( 1.706 5.075 -4.227) 6.821 5.849 ( 4.497 7.829 -1.786) 9.204 6.400 ( 0.460 4.792 5.335) 7.186 6.773 ( 4.012 4.311 5.481) 8.045 6.980 ( 10.387 20.519 0.144) 22.999 7.017 ( 1.432 -7.146 -5.226) 8.968 8.160 ( -1.998 2.067 -0.064) 2.875 8.417 ( -7.819 -16.930 -3.313) 18.940 9.316 ( -5.143 -8.489 0.898) 9.966 11.021 ( 4.173 -2.507 0.244) 4.874 11.118 ( -12.140 -10.003 -0.752) 15.748 11.580 ( 2.495 5.274 1.549) 6.036 13.636 ( -2.541 -2.381 -0.458) 3.512 13.770 ( 0.818 -0.531 1.245) 1.582 14.067 ( -1.287 2.664 -0.217) 2.966 14.225 ( 2.818 2.357 1.009) 3.810 ======================= Grid point 480 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 1.939 -1.223 -0.084) 2.294 2.886 ( 4.474 2.626 -6.152) 8.047 3.373 ( -1.305 1.955 5.174) 5.683 4.761 ( 5.481 5.509 -3.599) 8.564 5.212 ( -1.747 -0.022 -2.206) 2.815 5.560 ( 8.083 24.099 2.619) 25.553 5.960 ( -6.097 18.010 -1.322) 19.060 6.361 ( -4.855 -5.259 8.510) 11.120 6.972 ( 8.726 2.720 -1.935) 9.343 7.075 ( 13.357 -1.264 -3.262) 13.808 7.272 ( 6.733 9.574 0.125) 11.705 7.910 ( -22.614 1.511 -0.885) 22.681 8.367 ( 16.621 -17.185 -1.404) 23.949 9.151 ( -4.893 -9.155 0.774) 10.409 10.807 ( -14.463 -1.614 -0.696) 14.570 11.071 ( 7.779 -11.385 0.569) 13.800 11.686 ( -0.475 10.370 1.316) 10.464 13.581 ( -1.046 -2.150 0.303) 2.410 13.758 ( -0.070 -3.269 0.565) 3.318 14.071 ( -2.681 5.199 0.550) 5.876 14.293 ( 2.780 0.638 0.576) 2.910 ======================= Grid point 481 (178/288) ======================= q-point: ( 0.71 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 2.462 -1.722 -0.805) 3.110 2.955 ( 2.768 2.906 -6.340) 7.503 3.364 ( -2.298 -0.291 4.525) 5.083 4.878 ( 2.076 6.049 -4.608) 7.883 5.177 ( 0.026 -1.030 -0.173) 1.045 5.843 ( -3.709 20.323 3.371) 20.932 5.994 ( -10.182 20.521 -1.623) 22.966 6.240 ( -4.475 -6.470 7.324) 10.749 7.151 ( 7.667 3.351 -3.637) 9.123 7.233 ( 8.212 -4.148 -3.258) 9.760 7.413 ( 3.577 2.394 1.211) 4.472 7.587 ( -13.647 0.055 -0.753) 13.668 8.502 ( 18.787 -19.418 -0.871) 27.033 8.989 ( -4.586 -5.710 0.745) 7.361 10.621 ( -7.229 2.662 -0.372) 7.713 11.087 ( 7.595 -12.292 0.676) 14.465 11.749 ( -5.701 11.784 0.767) 13.113 13.567 ( 1.213 -1.403 1.667) 2.494 13.720 ( 0.630 -5.030 -0.387) 5.084 14.081 ( -3.381 6.812 1.048) 7.677 14.325 ( 0.981 -1.115 0.198) 1.498 ======================= Grid point 482 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 1.549 -1.220 -1.271) 2.346 2.993 ( 0.263 3.489 -6.282) 7.191 3.321 ( -3.377 -1.768 4.612) 5.984 4.884 ( -4.906 3.525 -3.794) 7.133 5.232 ( 6.044 1.499 -0.685) 6.265 5.785 ( -18.179 8.542 2.176) 20.203 6.028 ( -10.486 18.234 1.215) 21.069 6.178 ( -0.872 -0.789 4.833) 4.974 7.085 ( -5.471 -4.770 -1.723) 7.460 7.249 ( -6.725 -8.238 -3.606) 11.229 7.459 ( 2.164 -5.087 0.500) 5.551 7.616 ( 8.513 17.681 -0.760) 19.639 8.519 ( 9.647 -26.311 -0.982) 28.041 8.975 ( 5.612 1.137 0.831) 5.786 10.625 ( 1.660 7.896 -0.382) 8.078 11.094 ( 7.620 -12.983 0.714) 15.071 11.725 ( -9.625 9.808 0.752) 13.763 13.604 ( 2.772 0.208 2.450) 3.705 13.684 ( 1.600 -5.658 -1.204) 6.002 14.098 ( -2.686 6.610 1.137) 7.225 14.302 ( -1.735 -2.478 0.147) 3.029 ======================= Grid point 483 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -1.381 -0.656 -1.300) 2.007 2.989 ( -3.006 4.188 -6.173) 8.043 3.243 ( -5.140 -2.686 5.432) 7.947 4.799 ( -6.354 1.964 -2.200) 7.005 5.351 ( 5.063 1.849 -2.845) 6.095 5.479 ( -23.918 1.776 2.275) 24.091 6.015 ( -11.508 16.297 0.347) 19.953 6.174 ( 2.332 -5.336 4.820) 7.559 6.930 ( -10.532 -8.284 0.314) 13.403 7.038 ( -3.648 -0.582 -2.337) 4.372 7.330 ( -11.408 -4.650 -0.651) 12.336 7.987 ( 9.187 21.199 -0.536) 23.110 8.410 ( 9.771 -23.701 -1.815) 25.701 9.123 ( 9.681 -0.424 0.903) 9.733 10.807 ( 7.730 12.009 -0.710) 14.299 11.095 ( 7.630 -13.666 0.614) 15.664 11.634 ( -9.755 5.361 1.308) 11.208 13.650 ( 0.962 -1.317 -0.184) 1.642 13.677 ( 3.642 -1.684 0.981) 4.131 14.124 ( -0.847 3.738 0.302) 3.845 14.225 ( -4.406 -2.305 0.912) 5.056 ======================= Grid point 491 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -0.000 11.133 2.282) 11.364 2.600 ( -0.000 6.540 4.431) 7.900 3.231 ( -0.000 8.010 9.055) 12.089 4.301 ( 0.000 24.512 -0.482) 24.517 4.550 ( 0.000 -1.102 -5.669) 5.775 4.766 ( 0.000 8.195 0.436) 8.206 5.522 ( 0.000 0.683 -5.756) 5.797 6.164 ( -0.000 40.619 5.450) 40.983 6.522 ( 0.000 23.345 -1.701) 23.407 6.927 ( -0.000 -6.711 11.744) 13.526 7.362 ( 0.000 -9.728 -10.287) 14.158 7.723 ( -0.000 -15.181 -0.423) 15.187 9.142 ( 0.000 -5.966 -2.343) 6.410 9.777 ( -0.000 -2.416 0.396) 2.448 10.560 ( -0.000 -3.983 -0.051) 3.984 11.387 ( -0.000 -7.202 -0.446) 7.216 11.796 ( -0.000 -4.051 1.160) 4.214 13.600 ( 0.000 -1.416 -0.134) 1.422 13.899 ( -0.000 2.091 0.731) 2.215 13.926 ( 0.000 2.385 -0.341) 2.409 14.182 ( -0.000 2.520 0.416) 2.554 ======================= Grid point 492 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 1.012 7.875 1.997) 8.187 2.668 ( 1.126 3.563 1.532) 4.038 3.328 ( 0.189 6.555 6.401) 9.164 4.524 ( 0.569 3.244 -3.261) 4.635 4.649 ( 11.918 21.306 0.148) 24.413 4.945 ( 10.762 7.273 -0.968) 13.025 5.521 ( 4.287 -3.949 -4.399) 7.302 6.505 ( -1.404 24.622 1.829) 24.730 6.755 ( 1.529 22.305 0.468) 22.362 6.889 ( -3.617 1.661 10.047) 10.807 7.145 ( -9.317 -5.381 -6.027) 12.333 7.746 ( 14.731 -12.862 -1.366) 19.604 8.998 ( -10.629 -3.599 -2.471) 11.490 9.610 ( -12.922 -4.089 0.580) 13.566 10.655 ( 13.025 -5.979 0.289) 14.334 11.343 ( 3.311 -5.801 -0.694) 6.715 11.679 ( -9.230 -3.244 0.576) 9.800 13.626 ( 4.197 -1.672 0.036) 4.518 13.825 ( -6.109 2.034 -0.001) 6.438 14.016 ( 3.966 0.351 -1.379) 4.213 14.206 ( -0.642 3.548 1.888) 4.070 ======================= Grid point 493 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -0.928 1.493 2.344) 2.930 2.745 ( 3.238 4.628 -1.990) 5.989 3.397 ( -0.209 4.080 3.797) 5.577 4.586 ( 3.857 3.793 -1.375) 5.582 5.103 ( 16.142 20.543 0.769) 26.138 5.171 ( 6.827 3.767 -3.401) 8.507 5.630 ( 15.931 -2.142 -1.251) 16.123 6.574 ( -6.810 4.440 2.565) 8.524 6.852 ( -0.971 5.492 5.980) 8.176 6.989 ( -5.412 2.778 -0.907) 6.150 7.078 ( 2.902 22.386 -1.833) 22.647 7.865 ( 14.192 -13.962 -1.533) 19.968 8.710 ( -20.663 1.142 -1.916) 20.783 9.359 ( -9.570 -7.332 0.688) 12.075 10.776 ( 9.872 -10.680 0.351) 14.548 11.329 ( -8.311 -0.054 -1.650) 8.474 11.534 ( 2.125 -1.227 1.474) 2.863 13.656 ( -0.140 -1.642 -0.846) 1.852 13.771 ( -1.965 1.284 1.066) 2.578 14.050 ( 2.559 -1.386 -1.989) 3.525 14.247 ( -0.068 4.347 2.030) 4.798 ======================= Grid point 494 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -0.527 -0.588 1.045) 1.310 2.836 ( 3.500 3.820 -2.758) 5.869 3.421 ( -1.096 1.373 2.318) 2.908 4.710 ( 5.835 5.128 -0.758) 7.804 5.213 ( -0.118 -1.290 -2.343) 2.678 5.578 ( 16.320 19.857 1.578) 25.751 5.959 ( 18.340 3.878 -1.578) 18.812 6.453 ( -7.929 -3.622 4.433) 9.780 6.929 ( 2.847 5.970 -1.119) 6.708 6.994 ( -2.184 9.467 2.082) 9.936 7.294 ( 2.789 11.811 -1.036) 12.180 7.922 ( 12.219 -19.637 -1.743) 23.194 8.355 ( -23.908 6.337 -0.531) 24.740 9.156 ( -5.674 -8.643 0.424) 10.348 10.792 ( 6.061 -12.744 0.160) 14.113 11.093 ( -14.846 0.844 -0.746) 14.888 11.692 ( 9.033 4.733 0.961) 10.243 13.605 ( -3.228 -0.356 -1.229) 3.472 13.747 ( -1.572 -2.442 1.353) 3.204 14.096 ( 3.726 0.936 -1.073) 3.989 14.285 ( -0.255 2.686 1.142) 2.930 ======================= Grid point 495 (185/288) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 0.881 -0.659 0.357) 1.157 2.919 ( 3.285 3.455 -2.979) 5.622 3.405 ( -1.864 -0.688 1.908) 2.755 4.864 ( 5.740 6.439 -1.290) 8.722 5.170 ( -1.590 -2.668 -0.643) 3.172 6.018 ( 10.154 20.123 3.130) 22.756 6.209 ( 4.909 6.925 -3.051) 9.020 6.289 ( -6.940 -5.803 3.409) 9.668 7.060 ( 4.472 3.884 -0.040) 5.923 7.067 ( 3.517 3.564 -0.995) 5.105 7.405 ( 2.487 5.220 -0.013) 5.782 7.848 ( -5.629 -8.722 -1.233) 10.454 8.110 ( -2.602 -6.177 -0.006) 6.703 9.005 ( -3.664 -5.954 0.242) 6.995 10.742 ( -1.833 -4.146 -0.218) 4.538 10.916 ( -3.316 -4.330 0.109) 5.455 11.863 ( 3.583 6.448 0.494) 7.393 13.554 ( -1.529 -0.715 -0.188) 1.698 13.690 ( -1.518 -3.505 0.453) 3.846 14.166 ( 1.376 3.807 0.006) 4.048 14.297 ( 0.060 -0.435 0.293) 0.528 ======================= Grid point 496 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 1.832 -0.004 -0.528) 1.907 2.992 ( 2.171 3.727 -2.954) 5.228 3.362 ( -2.418 -1.963 2.154) 3.787 4.984 ( -1.111 6.800 -2.276) 7.257 5.137 ( 3.423 -2.840 0.168) 4.451 6.115 ( -8.572 -1.736 4.589) 9.877 6.168 ( -7.863 1.708 1.155) 8.129 6.361 ( 0.182 15.331 -1.788) 15.436 7.065 ( 0.371 -4.959 -0.704) 5.022 7.180 ( 5.600 -2.685 -1.223) 6.329 7.485 ( -4.572 3.236 0.099) 5.602 7.707 ( -2.939 13.706 -0.246) 14.020 8.084 ( 12.296 -20.928 -0.737) 24.284 8.937 ( 0.076 -1.191 0.294) 1.229 10.700 ( -2.645 5.775 -0.397) 6.364 10.873 ( 5.085 -9.560 0.479) 10.839 11.918 ( -3.829 4.450 0.368) 5.882 13.548 ( 1.976 -1.407 0.580) 2.494 13.643 ( -0.584 -2.059 -0.067) 2.141 14.203 ( -2.340 4.756 0.466) 5.321 14.284 ( 0.566 -2.988 -0.024) 3.041 ======================= Grid point 497 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 1.054 0.635 -1.378) 1.847 3.040 ( -0.120 4.229 -3.546) 5.520 3.301 ( -3.167 -2.642 3.089) 5.153 4.933 ( -7.140 2.851 -1.250) 7.789 5.235 ( 7.488 -0.352 -1.925) 7.740 5.870 ( -19.941 -1.694 3.297) 20.283 6.086 ( 0.388 -3.806 3.520) 5.199 6.336 ( -11.342 -0.559 -1.930) 11.519 7.028 ( -3.955 2.775 1.043) 4.943 7.139 ( -6.869 2.816 -1.240) 7.527 7.409 ( -2.706 -1.021 -0.267) 2.904 7.938 ( 13.155 -2.280 -2.295) 13.547 8.108 ( 6.270 2.789 0.107) 6.863 8.987 ( 6.158 -0.426 0.481) 6.192 10.762 ( 4.934 0.897 -0.629) 5.054 10.902 ( 5.517 -1.222 0.487) 5.672 11.828 ( -8.955 -0.291 0.858) 9.001 13.576 ( 2.893 -2.760 -0.936) 4.107 13.649 ( 1.814 1.793 1.390) 2.905 14.171 ( -3.187 -1.744 -0.321) 3.647 14.269 ( -1.242 0.981 0.902) 1.822 ======================= Grid point 506 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -0.000 6.580 0.979) 6.653 2.702 ( -0.000 2.397 3.537) 4.273 3.398 ( -0.000 5.000 2.946) 5.804 4.537 ( 0.000 1.649 -0.725) 1.801 4.749 ( 0.000 21.078 -0.237) 21.080 4.910 ( 0.000 6.240 0.043) 6.240 5.434 ( 0.000 -4.777 -4.191) 6.355 6.654 ( 0.000 4.764 -4.197) 6.349 6.880 ( -0.000 3.432 10.431) 10.981 7.058 ( 0.000 21.806 -0.607) 21.814 7.293 ( 0.000 10.429 -1.408) 10.524 7.442 ( -0.000 -13.474 0.572) 13.486 9.037 ( 0.000 -3.328 -2.456) 4.136 9.737 ( -0.000 -1.785 0.018) 1.785 10.458 ( -0.000 -6.133 0.567) 6.159 11.236 ( 0.000 -7.226 -0.651) 7.256 11.737 ( -0.000 -2.487 0.115) 2.490 13.570 ( 0.000 -1.405 -0.153) 1.414 13.936 ( 0.000 -0.089 -3.151) 3.153 13.939 ( -0.000 1.516 0.648) 1.649 14.250 ( -0.000 3.222 2.211) 3.908 ======================= Grid point 507 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -1.727 1.112 3.628) 4.169 2.753 ( 1.270 4.654 0.303) 4.834 3.440 ( -0.163 2.907 0.040) 2.912 4.571 ( 1.761 2.991 1.555) 3.804 5.041 ( 11.651 17.250 -0.158) 20.816 5.053 ( 9.235 4.372 -0.964) 10.263 5.412 ( 5.303 -4.312 -1.955) 7.109 6.628 ( -1.300 -3.360 -5.091) 6.237 6.903 ( -1.335 -0.335 7.914) 8.033 7.211 ( -6.516 9.563 3.110) 11.983 7.267 ( -1.411 15.765 -2.358) 16.002 7.552 ( 9.463 -2.360 0.231) 9.755 8.951 ( -6.967 0.129 -2.214) 7.311 9.537 ( -17.016 -3.631 0.392) 17.404 10.517 ( 10.047 -7.556 0.402) 12.578 11.250 ( 8.726 -3.151 -0.799) 9.312 11.630 ( -9.384 -2.079 0.031) 9.611 13.595 ( 3.728 -1.290 -0.181) 3.949 13.862 ( -4.905 1.928 -1.073) 5.379 13.984 ( 2.049 -1.745 -1.749) 3.210 14.290 ( 0.356 3.112 1.781) 3.603 ======================= Grid point 508 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -2.511 0.289 3.057) 3.967 2.821 ( 2.177 3.347 -0.061) 3.993 3.448 ( -0.699 0.594 -1.323) 1.610 4.666 ( 4.674 3.787 2.590) 6.549 5.180 ( 2.512 -0.194 -1.618) 2.994 5.439 ( 17.825 13.107 0.094) 22.126 5.607 ( 20.666 -0.423 -0.270) 20.672 6.519 ( -4.920 -5.559 -3.333) 8.137 6.945 ( 2.454 5.422 4.053) 7.201 7.206 ( -5.229 7.412 3.514) 9.727 7.386 ( 0.131 9.564 -2.101) 9.793 7.612 ( 3.805 -8.109 -0.083) 8.957 8.792 ( -16.733 7.883 -1.305) 18.543 9.205 ( -12.866 -9.144 0.545) 15.794 10.578 ( 6.778 -8.362 0.194) 10.766 11.338 ( -9.589 1.524 -1.839) 9.882 11.519 ( 9.826 -1.290 1.181) 9.981 13.628 ( 0.725 -0.522 -1.393) 1.655 13.794 ( -5.119 0.530 0.765) 5.203 14.007 ( 4.552 -1.306 -1.937) 5.116 14.324 ( -0.182 2.171 0.910) 2.361 ======================= Grid point 509 (191/288) ======================= q-point: ( 0.71 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -1.596 0.485 2.547) 3.045 2.893 ( 2.985 2.835 0.066) 4.117 3.423 ( -1.259 -1.280 -1.423) 2.291 4.808 ( 6.647 3.744 2.403) 7.999 5.176 ( -1.175 -0.621 -0.211) 1.346 5.890 ( 21.347 10.282 -0.478) 23.699 5.970 ( 20.920 -1.493 -0.260) 20.975 6.350 ( -6.685 -5.920 -3.351) 9.538 7.097 ( 2.952 9.017 1.679) 9.635 7.170 ( -6.458 4.668 3.066) 8.538 7.436 ( -1.404 4.009 -1.207) 4.416 7.579 ( 7.438 -12.403 0.053) 14.462 8.492 ( -26.639 6.154 0.190) 27.342 8.998 ( -2.810 -6.437 -0.176) 7.026 10.615 ( 5.887 -4.847 0.193) 7.629 11.100 ( -14.945 0.368 -0.693) 14.965 11.756 ( 13.013 1.177 0.048) 13.067 13.603 ( -3.046 1.237 -2.085) 3.893 13.704 ( -4.058 -2.505 1.344) 4.955 14.101 ( 6.688 0.453 -0.994) 6.776 14.324 ( -1.573 0.558 0.268) 1.691 ======================= Grid point 510 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 0.012 1.142 1.480) 1.869 2.976 ( 3.217 3.061 0.522) 4.471 3.376 ( -1.606 -2.465 -0.938) 3.088 4.966 ( 7.638 2.105 1.525) 8.068 5.136 ( -3.788 1.143 0.230) 3.963 6.160 ( -2.337 -6.602 -4.407) 8.274 6.175 ( 7.048 -6.852 -0.985) 9.879 6.343 ( 13.652 8.172 2.184) 16.060 7.061 ( -3.917 -1.613 0.270) 4.245 7.167 ( -3.773 2.717 1.350) 4.841 7.486 ( 5.070 -1.730 -0.251) 5.363 7.704 ( 13.551 3.437 0.330) 13.984 8.078 ( -24.032 0.120 0.558) 24.039 8.939 ( -1.294 -0.419 -0.230) 1.380 10.697 ( 6.299 0.449 0.350) 6.325 10.877 ( -10.913 -0.265 -0.428) 10.925 11.921 ( 5.564 -0.878 -0.284) 5.640 13.553 ( -2.988 0.845 -0.458) 3.139 13.643 ( -1.130 -1.271 0.050) 1.701 14.206 ( 4.981 0.267 -0.336) 4.999 14.284 ( -2.924 -0.786 -0.026) 3.028 ======================= Grid point 511 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 0.981 1.699 -0.000) 1.962 3.055 ( 2.015 3.490 0.000) 4.030 3.319 ( -1.767 -3.061 -0.000) 3.535 5.055 ( -1.725 -2.988 -0.000) 3.450 5.119 ( 2.746 4.756 -0.000) 5.492 6.048 ( -1.986 -3.440 0.000) 3.973 6.079 ( -6.892 -11.938 -0.000) 13.785 6.411 ( -6.547 -11.340 -0.000) 13.094 7.105 ( 5.526 9.571 -0.000) 11.051 7.187 ( 2.039 3.531 0.000) 4.078 7.490 ( -2.205 -3.819 -0.000) 4.410 7.707 ( -6.465 -11.197 -0.000) 12.929 8.105 ( 12.492 21.637 0.000) 24.984 8.929 ( 0.156 0.270 -0.000) 0.312 10.710 ( -3.238 -5.608 -0.000) 6.475 10.862 ( 5.360 9.284 -0.000) 10.721 11.908 ( -3.240 -5.611 -0.000) 6.479 13.533 ( 0.050 0.087 -0.000) 0.100 13.645 ( 1.139 1.973 -0.000) 2.278 14.189 ( -3.064 -5.308 0.000) 6.129 14.287 ( 1.330 2.304 -0.000) 2.661 ======================= Grid point 522 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -0.000 0.840 5.321) 5.387 2.780 ( -0.000 2.934 0.347) 2.955 3.458 ( 0.000 1.399 -3.146) 3.443 4.592 ( -0.000 2.460 4.171) 4.843 4.999 ( 0.000 3.138 -0.294) 3.152 5.090 ( 0.000 13.265 -0.009) 13.265 5.330 ( 0.000 -3.307 -1.695) 3.717 6.580 ( 0.000 -3.358 -8.278) 8.933 6.934 ( -0.000 -1.676 9.769) 9.911 7.223 ( -0.000 -9.043 0.719) 9.071 7.406 ( 0.000 13.160 -1.363) 13.230 7.603 ( -0.000 13.818 2.175) 13.988 8.983 ( 0.000 -0.922 -2.000) 2.202 9.711 ( -0.000 -0.837 -0.048) 0.838 10.351 ( -0.000 -4.685 0.626) 4.726 11.119 ( 0.000 -4.133 -0.671) 4.187 11.699 ( 0.000 -1.365 -0.590) 1.487 13.548 ( -0.000 -0.780 0.091) 0.785 13.905 ( 0.000 -0.276 -3.897) 3.907 13.963 ( -0.000 0.569 0.160) 0.591 14.311 ( -0.000 1.561 1.229) 1.987 ======================= Grid point 523 (195/288) ======================= q-point: ( 0.64 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -2.480 0.334 4.523) 5.169 2.818 ( 1.457 1.573 1.545) 2.643 3.448 ( -0.307 -0.428 -4.658) 4.688 4.647 ( 2.334 2.044 5.404) 6.231 5.100 ( 7.346 1.458 -0.756) 7.527 5.288 ( 10.878 7.325 0.148) 13.115 5.352 ( 7.267 -1.040 -0.258) 7.345 6.510 ( -2.038 -3.391 -8.275) 9.172 6.962 ( 1.875 1.400 8.465) 8.782 7.189 ( 3.667 -5.437 0.836) 6.611 7.476 ( -2.655 6.223 -1.025) 6.843 7.673 ( -4.335 5.792 1.580) 7.406 8.962 ( -1.469 1.667 -1.656) 2.771 9.481 ( -22.012 -2.023 0.401) 22.108 10.405 ( 7.230 -3.355 0.375) 7.980 11.207 ( 13.080 -0.985 -0.879) 13.147 11.598 ( -9.711 -0.986 -0.584) 9.779 13.577 ( 3.362 -0.359 -0.202) 3.387 13.887 ( -2.384 1.906 -2.225) 3.778 13.944 ( -0.490 -1.418 -1.122) 1.874 14.331 ( 0.803 0.249 0.421) 0.940 ======================= Grid point 524 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -2.697 0.348 3.799) 4.672 2.871 ( 2.600 1.096 2.603) 3.839 3.413 ( -0.603 -2.140 -4.670) 5.173 4.741 ( 4.991 0.743 5.160) 7.217 5.189 ( 1.385 2.334 0.287) 2.729 5.572 ( 18.089 -2.957 -1.019) 18.358 5.602 ( 21.526 2.913 0.561) 21.729 6.384 ( -5.430 -3.882 -8.078) 10.479 7.071 ( 5.154 -1.086 5.456) 7.584 7.235 ( 3.530 1.864 1.893) 4.418 7.448 ( -2.036 0.646 -0.512) 2.197 7.592 ( -8.082 -0.041 0.982) 8.141 8.964 ( -2.736 6.296 -1.284) 6.984 9.024 ( -26.439 -5.884 0.834) 27.099 10.496 ( 5.806 0.220 0.285) 5.817 11.355 ( -12.857 1.260 -1.558) 13.012 11.492 ( 15.299 -1.993 0.051) 15.428 13.619 ( 1.335 0.560 -1.577) 2.140 13.799 ( -7.400 -0.459 0.505) 7.432 13.989 ( 5.978 0.818 -1.862) 6.314 14.336 ( 0.031 -1.204 -0.209) 1.222 ======================= Grid point 525 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -1.520 0.782 2.790) 3.272 2.946 ( 3.752 1.415 3.677) 5.440 3.361 ( -0.757 -3.354 -3.997) 5.272 4.849 ( 6.536 -1.826 3.658) 7.709 5.222 ( -1.774 5.067 1.498) 5.574 5.807 ( 17.372 -11.589 -2.634) 21.048 6.031 ( 23.008 1.310 0.404) 23.049 6.231 ( -4.403 -2.207 -6.447) 8.113 7.074 ( -0.148 -6.416 0.611) 6.447 7.214 ( -3.693 -8.976 3.883) 10.454 7.461 ( -4.834 -1.715 0.021) 5.129 7.607 ( 10.754 16.031 1.099) 19.335 8.510 ( -27.586 -4.922 0.988) 28.039 8.983 ( -2.104 5.467 -0.844) 5.918 10.621 ( 5.970 5.271 0.423) 7.975 11.100 ( -15.221 0.063 -0.659) 15.236 11.733 ( 13.234 -3.170 -0.867) 13.636 13.627 ( -1.425 2.560 -2.511) 3.859 13.672 ( -5.749 -1.624 1.408) 6.138 14.107 ( 6.607 0.835 -0.812) 6.709 14.304 ( -1.335 -2.562 -0.440) 2.922 ======================= Grid point 537 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( -0.000 -0.364 7.264) 7.273 2.806 ( 0.000 -0.322 -0.036) 0.324 3.422 ( 0.000 -1.889 -6.529) 6.797 4.659 ( -0.000 0.381 6.718) 6.729 5.023 ( 0.000 -0.232 -0.803) 0.836 5.235 ( -0.000 0.600 0.947) 1.122 5.311 ( 0.000 2.513 -0.120) 2.516 6.482 ( 0.000 -0.887 -8.867) 8.911 6.972 ( -0.000 -0.293 9.422) 9.426 7.125 ( -0.000 -0.601 0.077) 0.606 7.530 ( 0.000 0.115 -1.313) 1.318 7.747 ( -0.000 -0.776 1.914) 2.066 8.972 ( 0.000 0.947 -1.533) 1.802 9.704 ( -0.000 0.097 0.094) 0.135 10.307 ( -0.000 0.038 0.722) 0.723 11.070 ( 0.000 -0.456 -1.022) 1.119 11.678 ( 0.000 -0.263 -1.139) 1.169 13.543 ( -0.000 0.137 0.367) 0.391 13.894 ( 0.000 1.920 -3.881) 4.330 13.963 ( 0.000 -0.390 -0.360) 0.531 14.315 ( -0.000 -1.671 -0.072) 1.672 ======================= Grid point 538 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -1.982 -1.380 2.469) 3.453 2.842 ( 2.167 -0.987 5.292) 5.804 3.373 ( -0.113 -3.538 -6.790) 7.657 4.694 ( 2.274 -1.184 6.319) 6.819 5.109 ( 9.767 -0.488 -0.409) 9.787 5.296 ( 9.997 -6.939 0.402) 12.176 5.386 ( 5.310 4.952 0.678) 7.292 6.418 ( -4.039 -0.296 -8.737) 9.630 7.012 ( 1.460 -1.595 7.227) 7.544 7.188 ( 4.609 4.112 1.077) 6.270 7.476 ( -1.827 -4.432 -0.984) 4.894 7.674 ( -4.050 -7.115 1.812) 8.385 8.976 ( -0.895 0.711 -1.172) 1.637 9.477 ( -22.804 1.318 0.241) 22.843 10.411 ( 7.256 3.596 0.599) 8.120 11.195 ( 13.563 0.497 -1.268) 13.631 11.585 ( -10.022 0.155 -1.177) 10.092 13.579 ( 3.065 0.593 -0.151) 3.125 13.907 ( -5.365 -1.043 -0.184) 5.469 13.927 ( 2.441 3.229 -3.162) 5.136 14.301 ( 1.106 -3.235 -0.560) 3.464 ======================= Grid point 539 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -1.317 -1.688 1.967) 2.908 2.899 ( 3.831 -0.971 6.203) 7.355 3.311 ( 0.017 -4.880 -6.162) 7.860 4.747 ( 4.164 -2.901 4.649) 6.882 5.266 ( 5.314 3.424 1.306) 6.455 5.407 ( 14.226 -13.493 -0.962) 19.631 5.636 ( 20.244 1.944 0.359) 20.341 6.298 ( -6.679 0.650 -8.134) 10.545 7.022 ( 0.120 -2.309 3.412) 4.122 7.169 ( -3.016 -14.291 1.503) 14.683 7.463 ( -1.964 -9.542 2.211) 9.990 7.625 ( 7.201 12.434 0.188) 14.370 8.841 ( -16.536 -6.299 0.647) 17.707 9.170 ( -13.327 8.928 -0.852) 16.064 10.589 ( 6.773 8.502 0.572) 10.885 11.363 ( -15.189 0.063 -0.847) 15.213 11.451 ( 15.645 -1.215 -1.476) 15.762 13.630 ( 1.739 1.410 -1.344) 2.611 13.784 ( -7.196 -1.369 0.413) 7.337 14.019 ( 5.106 3.366 -1.805) 6.376 14.276 ( 0.384 -4.569 -0.659) 4.632 ======================= Grid point 552 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -0.000 -3.613 -0.140) 3.615 2.824 ( -0.000 -2.704 7.790) 8.246 3.309 ( 0.000 -5.253 -7.278) 8.976 4.679 ( -0.000 -2.123 5.820) 6.195 4.982 ( 0.000 -3.558 -0.770) 3.641 5.114 ( -0.000 -13.086 0.745) 13.107 5.431 ( -0.000 9.054 1.350) 9.154 6.440 ( 0.000 1.884 -7.815) 8.039 7.018 ( -0.000 -2.631 7.449) 7.900 7.212 ( 0.000 9.174 0.314) 9.180 7.402 ( 0.000 -10.773 -1.477) 10.874 7.601 ( -0.000 -14.915 2.656) 15.150 9.004 ( 0.000 3.311 -1.187) 3.518 9.713 ( 0.000 0.730 0.043) 0.731 10.359 ( -0.000 4.391 0.968) 4.496 11.091 ( 0.000 3.695 -1.719) 4.075 11.674 ( 0.000 0.688 -1.634) 1.773 13.556 ( -0.000 0.891 0.425) 0.987 13.936 ( 0.000 4.599 -3.188) 5.596 13.946 ( 0.000 -1.093 -0.516) 1.209 14.246 ( 0.000 -5.069 -0.789) 5.130 ======================= Grid point 553 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( -0.386 -5.018 0.370) 5.046 2.837 ( 3.006 -4.276 6.903) 8.659 3.232 ( 0.285 -6.572 -6.567) 9.295 4.685 ( 1.611 -2.744 4.350) 5.389 5.042 ( 9.372 -18.294 -0.257) 20.557 5.061 ( 13.218 -4.132 -0.445) 13.856 5.549 ( 2.306 10.177 2.233) 10.671 6.400 ( -4.901 3.583 -7.074) 9.322 6.975 ( 1.835 -14.571 3.622) 15.126 7.146 ( -8.993 -3.498 0.010) 9.650 7.374 ( -1.325 -15.902 3.550) 16.348 7.560 ( 11.303 7.192 0.610) 13.411 8.997 ( -5.723 2.423 -0.433) 6.230 9.521 ( -18.633 2.909 -0.221) 18.860 10.530 ( 10.232 7.235 0.900) 12.564 11.220 ( 9.853 3.410 -1.860) 10.591 11.590 ( -9.815 1.268 -1.663) 10.036 13.596 ( 2.943 1.202 -0.141) 3.182 13.873 ( -5.510 -2.028 -0.022) 5.871 14.001 ( 2.040 5.685 -2.591) 6.572 14.203 ( 1.495 -6.290 -0.674) 6.500 ======================= Grid point 567 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -0.000 -7.754 -0.006) 7.754 2.763 ( -0.000 -8.881 5.146) 10.264 3.142 ( 0.000 -7.262 -5.206) 8.935 4.662 ( -0.000 -2.047 2.913) 3.560 4.760 ( -0.000 -21.256 0.270) 21.258 4.891 ( 0.000 -6.476 -0.707) 6.515 5.648 ( -0.000 10.898 2.968) 11.295 6.466 ( 0.000 5.526 -6.140) 8.260 6.741 ( -0.000 -29.532 -0.171) 29.533 7.139 ( -0.000 -23.915 2.623) 24.058 7.409 ( -0.000 2.803 4.065) 4.937 7.456 ( 0.000 14.617 1.115) 14.659 9.085 ( 0.000 5.475 -0.564) 5.504 9.732 ( 0.000 1.306 -0.163) 1.317 10.463 ( -0.000 5.086 0.768) 5.144 11.196 ( 0.000 8.227 -2.201) 8.516 11.682 ( 0.000 1.388 -2.133) 2.545 13.579 ( -0.000 1.145 0.176) 1.159 13.918 ( 0.000 -1.453 -0.179) 1.464 14.026 ( 0.000 5.669 -1.203) 5.796 14.116 ( 0.000 -7.224 -1.369) 7.352 ======================= Grid point 644 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -0.000 0.000 31.422) 31.422 0.938 ( -0.000 0.000 31.422) 31.422 1.729 ( -0.000 0.000 60.155) 60.155 3.332 ( 0.000 -0.000 -13.642) 13.642 3.332 ( 0.000 -0.000 -13.642) 13.642 4.237 ( -0.000 0.000 4.510) 4.510 4.237 ( -0.000 0.000 4.510) 4.510 5.627 ( 0.000 -0.000 -31.162) 31.162 6.867 ( -0.000 0.000 7.763) 7.763 7.416 ( -0.000 0.000 0.325) 0.325 8.468 ( -0.000 0.000 0.559) 0.559 8.468 ( -0.000 0.000 0.559) 0.559 8.849 ( 0.000 -0.000 -0.469) 0.469 9.967 ( 0.000 -0.000 -0.675) 0.675 9.967 ( 0.000 -0.000 -0.675) 0.675 11.567 ( -0.000 0.000 2.619) 2.619 12.736 ( 0.000 -0.000 -0.090) 0.090 13.634 ( -0.000 0.000 0.209) 0.209 13.634 ( -0.000 0.000 0.209) 0.209 13.784 ( -0.000 0.000 0.008) 0.008 13.784 ( -0.000 0.000 0.008) 0.008 ======================= Grid point 645 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 18.845 10.880 22.455) 31.269 1.400 ( 24.514 14.153 22.337) 36.058 2.107 ( 15.819 9.133 45.871) 49.374 3.395 ( 7.258 4.190 -12.331) 14.909 3.512 ( 21.047 12.151 -10.806) 26.597 4.279 ( 3.286 1.897 4.019) 5.527 4.381 ( 9.532 5.503 1.853) 11.162 5.435 ( -5.241 -3.026 -21.005) 21.860 6.527 ( -19.902 -11.491 21.073) 31.180 7.269 ( -6.794 -3.922 5.377) 9.511 8.271 ( -10.660 -6.155 -16.700) 20.746 8.405 ( -5.108 -2.949 0.191) 5.901 9.425 ( 20.675 11.937 -5.533) 24.507 9.958 ( -1.276 -0.736 -0.383) 1.522 9.958 ( 4.913 2.836 -2.204) 6.086 11.557 ( -1.230 -0.710 2.696) 3.047 12.446 ( -16.712 -9.649 9.467) 21.494 13.636 ( -0.089 -0.052 0.302) 0.319 13.682 ( 0.848 0.490 -1.413) 1.719 13.795 ( 1.066 0.615 -0.031) 1.231 13.982 ( 12.552 7.247 -6.689) 15.963 ======================= Grid point 646 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 20.986 12.116 12.312) 27.181 1.984 ( 21.434 12.375 17.264) 30.176 2.563 ( 13.774 7.953 21.957) 27.112 3.582 ( 12.299 7.101 -8.250) 16.424 4.180 ( 37.420 21.604 -0.864) 43.217 4.403 ( 6.572 3.794 2.704) 8.056 4.559 ( 5.505 3.179 -2.489) 6.827 5.460 ( 12.875 7.433 -10.351) 18.115 6.264 ( -9.264 -5.348 12.087) 16.141 7.120 ( -8.640 -4.988 6.342) 11.822 7.952 ( -12.166 -7.024 -16.780) 21.884 8.248 ( -8.699 -5.022 -0.459) 10.055 9.473 ( -6.908 -3.988 -1.146) 8.058 9.911 ( -2.725 -1.573 0.044) 3.147 10.238 ( 14.234 8.218 -3.764) 16.861 11.542 ( -0.895 -0.516 2.072) 2.315 12.130 ( -14.301 -8.257 6.355) 17.694 13.630 ( -0.519 -0.300 0.349) 0.694 13.744 ( 4.748 2.741 2.060) 5.856 13.829 ( 1.889 1.091 -0.008) 2.181 14.138 ( 3.619 2.089 -6.887) 8.056 ======================= Grid point 647 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 15.851 9.151 5.354) 19.070 2.457 ( 16.830 9.717 10.386) 22.035 2.857 ( 8.472 4.891 12.019) 15.497 3.896 ( 17.250 9.959 -3.566) 20.235 4.558 ( 2.255 1.302 -5.331) 5.933 4.576 ( 7.950 4.590 1.443) 9.293 5.146 ( 39.703 22.923 3.216) 45.958 5.762 ( 9.653 5.573 -8.562) 14.055 6.237 ( 8.964 5.175 4.669) 11.355 6.926 ( -10.058 -5.807 8.502) 14.393 7.665 ( -8.996 -5.194 -12.302) 16.101 8.022 ( -11.070 -6.391 -1.014) 12.823 9.287 ( -8.413 -4.857 -1.785) 9.877 9.843 ( -3.162 -1.826 0.340) 3.667 10.464 ( 6.558 3.786 -0.203) 7.575 11.503 ( -4.046 -2.336 1.093) 4.798 11.854 ( -10.467 -6.043 3.250) 12.516 13.615 ( -0.863 -0.498 0.236) 1.024 13.874 ( 2.009 1.160 0.138) 2.324 13.880 ( 5.669 3.273 3.122) 7.252 14.139 ( -0.916 -0.529 -4.483) 4.607 ======================= Grid point 648 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 9.741 5.624 1.688) 11.373 2.790 ( 11.072 6.393 0.841) 12.813 3.040 ( 5.267 3.041 10.605) 12.225 4.313 ( 19.939 11.512 -0.867) 23.040 4.603 ( 3.528 2.037 -4.234) 5.876 4.752 ( 7.185 4.148 0.812) 8.336 5.583 ( -2.992 -1.728 -7.630) 8.376 6.166 ( 32.336 18.669 5.882) 37.798 6.548 ( 5.460 3.152 -2.041) 6.627 6.854 ( 9.722 5.613 8.852) 14.296 7.473 ( -5.422 -3.130 -9.105) 11.050 7.755 ( -12.224 -7.057 -1.169) 14.163 9.104 ( -7.096 -4.097 -1.720) 8.372 9.779 ( -2.592 -1.496 0.362) 3.015 10.539 ( 0.239 0.138 0.537) 0.604 11.348 ( -8.803 -5.082 0.825) 10.198 11.718 ( -3.287 -1.898 2.887) 4.769 13.594 ( -1.005 -0.580 0.014) 1.161 13.916 ( 1.560 0.900 0.319) 1.829 13.942 ( -1.705 -0.984 -0.677) 2.082 14.146 ( 3.345 1.931 1.099) 4.015 ======================= Grid point 649 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 5.355 3.091 0.427) 6.198 2.956 ( 4.979 2.875 -7.124) 9.155 3.174 ( 3.796 2.192 10.551) 11.425 4.687 ( 4.826 2.786 -4.311) 7.045 4.750 ( 18.472 10.665 -0.361) 21.333 4.893 ( 5.080 2.933 0.713) 5.909 5.427 ( -7.047 -4.069 -3.235) 8.757 6.449 ( -5.055 -2.919 3.763) 6.945 6.878 ( 24.050 13.885 4.391) 28.116 7.262 ( 13.947 8.052 0.575) 16.115 7.375 ( 3.271 1.889 -8.464) 9.269 7.479 ( -11.882 -6.860 -0.854) 13.747 8.973 ( -4.062 -2.345 -0.081) 4.692 9.733 ( -1.518 -0.876 0.169) 1.761 10.487 ( -4.390 -2.535 -0.568) 5.101 11.178 ( -6.042 -3.488 1.637) 7.166 11.678 ( -1.531 -0.884 2.475) 3.042 13.572 ( -0.869 -0.502 -0.230) 1.029 13.862 ( -3.927 -2.267 0.109) 4.536 13.944 ( 0.857 0.495 0.455) 1.089 14.244 ( 3.806 2.197 2.010) 4.833 ======================= Grid point 650 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 2.271 1.311 0.132) 2.625 2.995 ( 1.370 0.791 -9.603) 9.732 3.265 ( 1.587 0.917 8.187) 8.390 4.775 ( 3.926 2.267 -6.213) 7.692 4.979 ( 2.476 1.430 0.810) 2.972 5.105 ( 12.260 7.078 -0.789) 14.178 5.289 ( -4.341 -2.506 1.638) 5.274 6.369 ( -2.850 -1.646 4.656) 5.702 7.179 ( 0.631 0.364 -4.919) 4.973 7.239 ( -8.641 -4.989 -0.305) 9.983 7.379 ( 9.736 5.621 -0.390) 11.249 7.663 ( 11.514 6.648 -1.910) 13.432 8.925 ( -0.683 -0.395 1.586) 1.771 9.711 ( -0.535 -0.309 -0.045) 0.619 10.377 ( -4.315 -2.491 -0.956) 5.073 11.086 ( -2.876 -1.660 1.298) 3.565 11.657 ( -0.941 -0.543 2.024) 2.297 13.556 ( -0.442 -0.255 -0.415) 0.658 13.799 ( -1.715 -0.990 2.777) 3.411 13.957 ( 0.155 0.089 0.506) 0.537 14.309 ( 1.416 0.818 1.154) 2.002 ======================= Grid point 651 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -0.350 -0.202 0.045) 0.407 2.971 ( -0.750 -0.433 -9.839) 9.877 3.292 ( -1.283 -0.741 6.510) 6.677 4.796 ( -0.510 -0.294 -7.186) 7.210 5.007 ( -0.185 -0.107 0.832) 0.859 5.254 ( 0.582 0.336 -1.012) 1.215 5.278 ( 3.051 1.761 3.723) 5.126 6.349 ( -0.312 -0.180 4.886) 4.899 7.126 ( -0.647 -0.373 -0.098) 0.753 7.135 ( -1.019 -0.588 -7.564) 7.655 7.506 ( -0.125 -0.072 1.050) 1.060 7.786 ( -0.370 -0.213 -1.992) 2.037 8.936 ( 1.042 0.601 2.127) 2.444 9.706 ( 0.103 0.059 -0.116) 0.166 10.322 ( 0.065 0.037 -0.858) 0.862 11.050 ( -0.559 -0.323 0.867) 1.081 11.649 ( -0.240 -0.139 1.765) 1.786 13.551 ( 0.158 0.091 -0.476) 0.510 13.811 ( 1.797 1.038 4.542) 4.994 13.955 ( -0.432 -0.249 0.467) 0.683 14.311 ( -1.527 -0.881 0.357) 1.798 ======================= Grid point 652 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -3.116 -1.799 -0.044) 3.598 2.901 ( -3.167 -1.828 -8.634) 9.376 3.248 ( -4.312 -2.489 5.806) 7.648 4.730 ( -2.848 -1.644 -5.190) 6.144 4.975 ( -2.924 -1.688 0.658) 3.440 5.120 ( -11.687 -6.747 -0.504) 13.504 5.431 ( 9.007 5.200 1.459) 10.502 6.380 ( 1.707 0.986 5.114) 5.481 7.081 ( -4.045 -2.335 -6.206) 7.767 7.216 ( 8.221 4.746 -0.571) 9.510 7.390 ( -8.602 -4.967 0.997) 9.983 7.628 ( -12.495 -7.214 -3.165) 14.771 8.989 ( 3.211 1.854 2.007) 4.216 9.714 ( 0.560 0.323 -0.013) 0.646 10.369 ( 3.849 2.222 -1.070) 4.572 11.076 ( 2.861 1.652 1.483) 3.621 11.658 ( 0.494 0.285 1.781) 1.870 13.560 ( 0.710 0.410 -0.389) 0.907 13.900 ( 4.642 2.680 4.453) 6.968 13.941 ( -0.895 -0.517 0.350) 1.092 14.243 ( -4.511 -2.604 -0.108) 5.210 ======================= Grid point 659 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -0.000 19.791 22.893) 30.262 1.461 ( -0.000 26.739 21.584) 34.363 2.269 ( -0.000 17.548 45.881) 49.123 3.284 ( 0.000 6.317 -12.536) 14.038 3.554 ( 0.000 28.296 -11.349) 30.487 4.317 ( -0.000 4.557 3.293) 5.622 4.371 ( -0.000 11.521 2.364) 11.761 5.311 ( 0.000 -11.494 -22.724) 25.466 6.553 ( -0.000 -25.097 18.878) 31.404 7.286 ( -0.000 -7.043 4.998) 8.637 8.252 ( 0.000 -10.606 -15.456) 18.745 8.426 ( -0.000 -5.376 0.203) 5.380 9.393 ( 0.000 21.926 -4.462) 22.375 9.932 ( 0.000 -2.303 -0.393) 2.337 10.022 ( 0.000 12.090 -3.172) 12.499 11.563 ( -0.000 -1.854 2.775) 3.337 12.438 ( -0.000 -21.531 8.815) 23.266 13.633 ( -0.000 -0.053 0.305) 0.310 13.794 ( 0.000 0.934 -0.034) 0.934 13.795 ( 0.000 5.121 -1.908) 5.465 13.865 ( 0.000 10.716 -4.994) 11.822 ======================= Grid point 660 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 11.252 19.451 14.707) 26.856 1.892 ( 12.926 20.448 17.022) 29.580 2.604 ( 4.658 15.074 28.019) 32.156 3.450 ( 11.229 11.212 -9.070) 18.277 3.969 ( 15.341 34.150 -1.672) 37.475 4.430 ( 4.872 11.473 0.989) 12.504 4.523 ( 2.431 8.804 -2.758) 9.541 5.240 ( 10.703 -2.370 -12.196) 16.399 6.340 ( -6.043 -14.579 13.232) 20.594 7.197 ( -4.607 -6.481 6.157) 10.057 7.991 ( -9.556 -11.446 -16.552) 22.278 8.341 ( -4.112 -4.498 -0.588) 6.122 9.466 ( -1.995 -6.150 -1.060) 6.552 9.863 ( -2.300 -4.742 -0.151) 5.272 10.265 ( 6.812 22.644 -5.102) 24.191 11.551 ( -0.212 -1.353 2.475) 2.829 12.206 ( -7.179 -16.844 7.072) 19.628 13.675 ( 4.416 -0.151 0.706) 4.474 13.712 ( -5.796 4.855 0.047) 7.561 13.826 ( 0.248 1.474 1.554) 2.156 14.055 ( 7.171 4.833 -7.065) 11.167 ======================= Grid point 661 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 12.796 13.985 7.089) 20.238 2.332 ( 14.110 13.083 10.550) 21.944 2.865 ( 4.313 9.789 16.157) 19.377 3.772 ( 12.936 17.139 -4.604) 21.960 4.461 ( 9.704 7.775 -0.650) 12.452 4.585 ( 0.958 7.116 -3.853) 8.149 4.877 ( 24.866 34.376 1.634) 42.458 5.554 ( 20.768 10.008 -7.666) 24.295 6.177 ( -2.185 -7.841 6.029) 10.129 7.044 ( -8.169 -7.173 8.350) 13.708 7.679 ( -7.722 -11.104 -13.764) 19.297 8.192 ( -10.287 -0.911 -0.733) 10.353 9.296 ( -4.596 -12.594 -1.088) 13.450 9.778 ( -0.361 -8.437 0.373) 8.453 10.541 ( 2.382 18.371 -1.941) 18.626 11.540 ( -1.189 -0.738 1.724) 2.221 11.925 ( -9.318 -14.345 3.196) 17.401 13.666 ( -2.737 2.483 0.259) 3.705 13.793 ( 5.114 0.825 0.799) 5.242 13.859 ( 2.343 1.652 3.565) 4.575 14.131 ( 1.314 1.701 -5.989) 6.363 ======================= Grid point 662 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 9.867 8.091 2.644) 13.031 2.664 ( 11.352 6.826 1.818) 13.371 3.051 ( 3.373 6.671 12.613) 14.661 4.179 ( 14.529 20.068 -1.221) 24.806 4.556 ( 3.043 2.477 -5.314) 6.606 4.748 ( 4.228 12.382 0.086) 13.085 5.561 ( 10.457 13.170 -4.067) 17.301 5.922 ( 18.681 18.963 0.927) 26.635 6.320 ( 20.900 3.223 -0.712) 21.159 6.867 ( -6.414 -6.119 10.386) 13.655 7.447 ( -3.597 -9.817 -10.028) 14.486 7.981 ( -15.048 2.341 -0.783) 15.249 9.101 ( -2.789 -12.921 -1.845) 13.347 9.691 ( 1.092 -10.973 0.716) 11.051 10.682 ( -4.179 14.393 0.074) 14.988 11.464 ( -8.092 -1.931 0.567) 8.339 11.697 ( -1.848 -11.450 2.642) 11.895 13.649 ( -3.124 3.209 0.400) 4.497 13.831 ( 3.141 -4.416 -0.451) 5.438 13.962 ( 2.660 2.617 3.062) 4.827 14.137 ( 0.574 2.359 -2.546) 3.518 ======================= Grid point 663 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 6.505 3.859 0.882) 7.615 2.854 ( 7.184 1.951 -5.669) 9.357 3.192 ( 2.343 4.964 10.923) 12.225 4.586 ( 10.250 9.324 -3.332) 14.251 4.667 ( 8.316 14.252 -1.276) 16.550 4.919 ( 1.722 11.975 -0.007) 12.098 5.530 ( -8.186 1.248 -4.175) 9.273 6.477 ( 5.007 1.207 3.062) 5.991 6.649 ( 20.248 16.458 4.466) 26.473 6.971 ( 19.922 1.480 2.596) 20.145 7.299 ( -0.068 -7.835 -8.586) 11.623 7.738 ( -17.026 4.429 -0.809) 17.611 8.956 ( -0.142 -10.292 -0.964) 10.338 9.610 ( 3.038 -13.207 0.607) 13.566 10.674 ( -10.595 9.596 -0.446) 14.302 11.296 ( -8.152 -0.442 1.209) 8.253 11.629 ( 2.190 -8.357 2.582) 9.016 13.621 ( -3.419 2.428 0.215) 4.199 13.831 ( 2.386 -4.538 -0.570) 5.159 13.974 ( -2.458 0.995 0.990) 2.831 14.212 ( 3.882 3.176 1.153) 5.146 ======================= Grid point 664 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 3.896 1.021 0.333) 4.041 2.928 ( 3.738 0.134 -9.166) 9.900 3.288 ( 0.928 2.800 8.772) 9.255 4.711 ( 4.662 3.327 -5.972) 8.275 5.022 ( 3.263 12.306 0.776) 12.755 5.045 ( 5.966 15.137 -0.192) 16.271 5.400 ( -8.255 3.403 -0.379) 8.937 6.419 ( -4.185 -3.278 6.479) 8.380 7.112 ( 5.851 1.944 -2.618) 6.698 7.194 ( 13.065 2.236 1.200) 13.309 7.361 ( 6.537 -0.568 -7.263) 9.788 7.552 ( -3.493 6.450 0.577) 7.358 8.901 ( 2.535 -5.113 0.857) 5.771 9.541 ( 5.593 -16.141 0.156) 17.083 10.538 ( -11.711 4.401 -0.897) 12.542 11.212 ( -6.408 6.330 1.451) 9.123 11.599 ( 2.713 -8.053 2.051) 8.742 13.589 ( -2.458 1.339 0.212) 2.807 13.823 ( 0.016 -0.950 1.005) 1.383 13.946 ( -0.947 -0.994 1.128) 1.777 14.297 ( 2.351 2.045 1.049) 3.288 ======================= Grid point 665 (219/288) ======================= q-point: ( 0.71 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 1.699 -0.820 -0.080) 1.889 2.940 ( 1.046 0.320 -9.784) 9.845 3.329 ( -0.891 0.447 7.206) 7.275 4.776 ( 1.422 2.495 -7.422) 7.958 5.083 ( -2.153 7.073 1.057) 7.469 5.294 ( 1.718 12.331 -0.368) 12.455 5.336 ( -5.229 6.920 1.844) 8.867 6.357 ( -1.564 -3.613 6.985) 8.018 7.115 ( 1.642 1.120 -6.457) 6.756 7.214 ( -9.142 0.346 -2.226) 9.416 7.455 ( 6.687 1.132 0.952) 6.849 7.705 ( 7.890 -1.332 -1.638) 8.168 8.928 ( 2.167 0.037 1.824) 2.833 9.489 ( 9.177 -19.608 -0.353) 21.652 10.415 ( -6.463 4.166 -0.604) 7.713 11.188 ( -7.166 10.821 0.949) 13.014 11.577 ( 3.658 -8.339 1.605) 9.246 13.572 ( -1.239 1.470 0.405) 1.965 13.833 ( -0.062 2.478 2.960) 3.861 13.927 ( 0.612 -3.157 0.732) 3.298 14.330 ( -0.397 0.635 0.523) 0.913 ======================= Grid point 666 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( -0.785 -1.898 -0.447) 2.102 2.911 ( -1.688 0.708 -8.907) 9.093 3.311 ( -3.212 -1.554 6.564) 7.471 4.754 ( -2.712 0.634 -6.391) 6.972 5.104 ( -5.366 8.615 0.694) 10.173 5.300 ( -10.826 4.588 -0.345) 11.764 5.385 ( 2.291 7.696 1.148) 8.112 6.345 ( 2.175 -3.817 6.791) 8.088 7.074 ( -2.335 -1.215 -5.980) 6.533 7.202 ( 0.898 6.808 -1.890) 7.123 7.467 ( -2.849 -3.055 0.964) 4.287 7.692 ( -3.932 -7.451 -2.130) 8.690 8.962 ( 1.247 -0.014 1.784) 2.177 9.480 ( 12.323 -19.104 -0.377) 22.737 10.416 ( -0.307 7.982 -0.625) 8.012 11.184 ( -6.592 11.928 1.115) 13.674 11.572 ( 4.945 -8.451 1.467) 9.901 13.577 ( -0.599 2.365 0.297) 2.458 13.893 ( 1.834 4.468 3.862) 6.184 13.906 ( 1.346 -4.885 0.208) 5.071 14.298 ( -3.472 -0.765 0.257) 3.565 ======================= Grid point 674 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -0.000 20.411 12.306) 23.834 2.049 ( -0.000 20.948 14.996) 25.762 2.800 ( -0.000 13.560 22.442) 26.220 3.446 ( 0.000 16.699 -7.019) 18.114 4.273 ( 0.000 47.362 0.104) 47.362 4.446 ( -0.000 7.015 1.678) 7.213 4.603 ( 0.000 8.081 -9.034) 12.121 5.099 ( 0.000 4.625 -4.239) 6.274 6.290 ( -0.000 -11.716 9.553) 15.117 7.189 ( -0.000 -6.981 6.525) 9.556 7.918 ( 0.000 -13.226 -16.423) 21.086 8.264 ( -0.000 -10.943 -0.647) 10.962 9.443 ( 0.000 -6.690 -0.817) 6.740 9.881 ( -0.000 -2.770 0.386) 2.797 10.365 ( 0.000 18.556 -6.064) 19.522 11.541 ( -0.000 -1.965 2.310) 3.033 12.127 ( -0.000 -15.376 6.355) 16.637 13.633 ( -0.000 -0.240 0.328) 0.406 13.819 ( 0.000 1.643 0.094) 1.645 13.847 ( -0.000 1.239 2.926) 3.177 14.016 ( 0.000 8.002 -6.676) 10.421 ======================= Grid point 675 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 6.056 16.439 6.903) 18.830 2.326 ( 6.378 14.755 10.196) 19.035 2.976 ( 0.696 9.994 15.282) 18.273 3.728 ( 11.977 20.789 -3.482) 24.244 4.469 ( -0.938 8.767 -2.011) 9.043 4.630 ( 1.713 7.558 -5.875) 9.725 4.921 ( 15.071 41.975 -0.256) 44.600 5.326 ( 14.393 14.318 0.332) 20.305 6.190 ( -4.274 -5.023 4.212) 7.825 7.106 ( -4.347 -7.313 8.439) 11.983 7.647 ( -8.065 -13.839 -13.931) 21.229 8.206 ( 3.821 -8.843 -1.465) 9.744 9.286 ( -8.150 -10.091 -0.719) 12.991 9.776 ( -6.329 -4.435 0.407) 7.739 10.596 ( 8.616 12.659 -3.595) 15.729 11.533 ( 0.679 -2.255 1.796) 2.961 11.942 ( -7.474 -12.876 2.982) 15.184 13.664 ( 3.197 -0.617 0.397) 3.280 13.797 ( -2.485 1.546 0.197) 2.933 13.878 ( 0.235 3.380 4.404) 5.556 14.097 ( 2.731 3.800 -5.813) 7.462 ======================= Grid point 676 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 6.755 10.862 3.048) 13.149 2.577 ( 7.580 7.466 3.175) 11.103 3.122 ( 1.510 7.911 11.837) 14.317 4.162 ( 13.465 23.219 -1.038) 26.861 4.515 ( 2.794 2.883 -5.364) 6.700 4.803 ( 5.646 13.902 -1.919) 15.127 5.529 ( 13.403 25.933 -0.179) 29.192 5.789 ( 19.626 16.558 -1.661) 25.731 6.142 ( 1.996 7.574 1.824) 8.043 6.958 ( -7.611 -7.250 10.272) 14.697 7.368 ( -4.446 -12.808 -10.457) 17.122 8.171 ( -2.339 -1.563 -0.974) 2.977 9.014 ( -8.077 -14.420 -1.586) 16.604 9.629 ( -4.296 -7.282 0.624) 8.478 10.820 ( 4.708 10.452 -1.042) 11.511 11.529 ( 0.876 -2.358 1.648) 3.007 11.661 ( -10.923 -12.403 0.408) 16.532 13.708 ( 0.919 1.645 0.646) 1.992 13.766 ( -0.559 -3.069 0.158) 3.123 13.959 ( 2.196 4.985 4.334) 6.961 14.134 ( 0.968 1.824 -4.374) 4.837 ======================= Grid point 677 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 5.142 5.812 1.715) 7.947 2.739 ( 6.456 2.071 -3.583) 7.668 3.249 ( 1.346 6.123 9.339) 11.248 4.521 ( 6.745 8.255 -4.065) 11.408 4.687 ( 10.098 19.997 0.359) 22.405 5.013 ( 3.118 13.485 -1.937) 13.976 5.695 ( -6.333 7.067 -2.570) 9.832 6.268 ( 21.936 9.319 -0.533) 23.839 6.532 ( 17.317 22.012 1.826) 28.066 6.824 ( -2.151 -4.187 9.352) 10.470 7.184 ( -0.600 -10.891 -8.165) 13.625 8.065 ( -13.069 5.609 -0.092) 14.222 8.776 ( 0.899 -18.645 -2.166) 18.792 9.493 ( -2.524 -9.607 0.806) 9.966 10.923 ( -5.145 9.423 -0.409) 10.744 11.383 ( -6.426 -11.111 0.125) 12.836 11.529 ( 0.889 -2.090 1.994) 3.022 13.692 ( -2.702 -1.704 0.430) 3.223 13.761 ( 1.747 0.075 -0.093) 1.751 14.021 ( -0.998 2.047 1.916) 2.977 14.179 ( 3.397 2.701 -0.843) 4.421 ======================= Grid point 678 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 3.430 1.233 1.152) 3.823 2.828 ( 5.048 0.825 -7.457) 9.043 3.336 ( 0.303 3.642 7.259) 8.127 4.650 ( 5.054 4.565 -4.809) 8.337 5.091 ( 8.832 23.651 1.579) 25.296 5.138 ( -0.068 8.638 -1.330) 8.740 5.634 ( -9.837 12.470 -1.116) 15.922 6.469 ( -1.480 -2.993 7.123) 7.867 6.955 ( 15.756 0.424 0.368) 15.766 7.025 ( 12.960 13.792 0.857) 18.945 7.117 ( 9.270 -4.299 -7.549) 12.704 7.842 ( -18.650 5.106 0.008) 19.336 8.693 ( 9.706 -15.880 -0.965) 18.636 9.359 ( -1.321 -12.111 0.684) 12.202 10.797 ( -14.568 2.941 -0.890) 14.888 11.284 ( 3.417 -6.680 1.048) 7.576 11.530 ( -1.663 2.299 1.735) 3.325 13.632 ( -1.946 -2.109 0.663) 2.945 13.790 ( 1.536 -0.141 -0.197) 1.555 14.000 ( -3.445 1.854 1.456) 4.174 14.268 ( 3.691 2.045 0.397) 4.238 ======================= Grid point 679 (226/288) ======================= q-point: ( 0.71 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 2.669 -1.605 -0.493) 3.153 2.886 ( 3.029 1.752 -7.623) 8.388 3.374 ( -0.958 1.040 6.084) 6.246 4.753 ( 3.146 4.996 -5.950) 8.382 5.164 ( -1.433 2.960 0.215) 3.295 5.428 ( 2.745 21.600 1.132) 21.803 5.608 ( -10.927 17.475 -0.034) 20.610 6.389 ( -4.312 -5.303 8.647) 11.022 7.053 ( 5.375 1.755 -5.725) 8.046 7.291 ( 6.381 -2.200 -5.674) 8.818 7.346 ( 9.017 5.656 2.139) 10.857 7.612 ( -7.179 -0.461 0.086) 7.195 8.776 ( 14.143 -9.119 0.337) 16.831 9.207 ( -0.841 -16.196 0.250) 16.220 10.585 ( -10.839 1.439 -0.525) 10.947 11.307 ( 5.507 -6.395 1.207) 8.525 11.522 ( -5.558 7.436 0.913) 9.329 13.599 ( -0.618 -0.866 1.605) 1.926 13.806 ( 2.227 -2.938 -0.407) 3.709 13.969 ( -3.824 3.914 1.954) 5.810 14.329 ( 1.586 0.722 0.292) 1.767 ======================= Grid point 680 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 1.643 -2.144 -1.838) 3.267 2.913 ( 0.336 2.446 -6.739) 7.177 3.364 ( -2.307 -1.020 5.738) 6.268 4.794 ( -1.614 3.876 -6.170) 7.463 5.189 ( 1.705 3.076 0.277) 3.527 5.562 ( -10.532 13.619 1.062) 17.249 5.605 ( -9.104 20.209 -0.039) 22.165 6.306 ( -1.073 -6.344 8.402) 10.583 7.124 ( -4.327 1.030 -5.972) 7.447 7.254 ( 0.410 6.020 -2.180) 6.416 7.442 ( 1.837 -1.234 0.707) 2.323 7.602 ( 4.296 -7.507 -1.180) 8.729 8.952 ( 6.396 1.085 1.344) 6.625 9.032 ( 8.443 -25.764 -0.755) 27.122 10.498 ( -2.646 5.133 -0.325) 5.784 11.341 ( 7.089 -9.449 1.371) 11.892 11.490 ( -9.233 11.328 0.474) 14.622 13.603 ( 0.319 0.823 1.949) 2.140 13.804 ( 2.954 -6.151 -0.534) 6.845 13.970 ( -2.557 6.243 2.210) 7.099 14.333 ( -1.268 -0.665 0.283) 1.459 ======================= Grid point 689 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -0.000 15.253 4.980) 16.045 2.441 ( -0.000 12.233 8.053) 14.646 3.104 ( -0.000 8.314 12.217) 14.778 3.823 ( 0.000 23.782 -1.804) 23.850 4.552 ( 0.000 -1.252 -11.247) 11.317 4.604 ( 0.000 8.353 0.619) 8.376 5.257 ( 0.000 47.126 1.539) 47.151 5.382 ( -0.000 18.421 3.610) 18.772 6.232 ( -0.000 4.021 2.345) 4.655 7.099 ( -0.000 -7.085 9.465) 11.823 7.558 ( 0.000 -13.402 -14.343) 19.630 8.010 ( -0.000 -14.255 -0.750) 14.275 9.278 ( 0.000 -8.437 -1.276) 8.533 9.830 ( -0.000 -2.813 0.654) 2.888 10.562 ( 0.000 4.898 -2.864) 5.674 11.499 ( -0.000 -4.145 0.931) 4.249 11.917 ( -0.000 -8.835 1.885) 9.033 13.623 ( -0.000 -0.954 0.042) 0.955 13.859 ( -0.000 2.208 0.516) 2.268 13.892 ( -0.000 1.443 3.075) 3.397 14.107 ( 0.000 5.026 -3.612) 6.190 ======================= Grid point 690 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 2.894 11.787 2.646) 12.423 2.580 ( 2.305 7.173 4.547) 8.800 3.214 ( 0.412 7.353 8.895) 11.548 4.166 ( 11.655 24.288 -0.661) 26.948 4.499 ( -0.178 1.777 -5.532) 5.814 4.780 ( 8.765 9.139 -1.822) 12.793 5.518 ( 6.793 6.423 -2.038) 9.569 5.835 ( 7.150 41.089 4.845) 41.987 6.299 ( -2.885 16.664 0.164) 16.912 7.027 ( -4.349 -6.781 11.066) 13.687 7.307 ( -7.192 -12.417 -11.197) 18.201 7.989 ( 11.177 -12.120 -1.517) 16.556 9.101 ( -10.965 -7.746 -1.576) 13.518 9.694 ( -9.542 -4.336 0.541) 10.495 10.710 ( 12.273 1.224 -1.047) 12.378 11.462 ( 1.327 -5.925 0.348) 6.082 11.765 ( -9.315 -6.249 0.127) 11.218 13.654 ( 4.313 -0.954 0.226) 4.424 13.803 ( -5.036 0.150 0.802) 5.102 13.979 ( 3.500 3.292 2.129) 5.255 14.139 ( -0.394 3.594 -2.404) 4.342 ======================= Grid point 691 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 2.888 7.768 2.005) 8.526 2.675 ( 2.759 2.531 -0.215) 3.750 3.314 ( 0.836 5.861 5.925) 8.375 4.492 ( 3.877 6.671 -3.103) 8.316 4.683 ( 14.257 20.857 0.612) 25.272 5.026 ( 8.411 9.976 -2.842) 13.354 5.679 ( 10.903 -2.192 -1.281) 11.195 6.231 ( 0.069 25.445 1.446) 25.486 6.564 ( 8.551 28.117 -0.073) 29.388 6.901 ( -6.796 -5.103 11.255) 14.103 7.079 ( -2.932 -10.117 -8.113) 13.296 8.082 ( 10.822 -7.840 -1.275) 13.424 8.770 ( -17.551 -8.287 -1.642) 19.478 9.497 ( -7.108 -6.885 0.532) 9.910 10.913 ( 10.629 -1.191 0.208) 10.698 11.393 ( -6.062 -8.101 -0.501) 10.131 11.558 ( -5.137 -1.085 0.160) 5.253 13.701 ( -0.727 -3.097 -0.197) 3.188 13.745 ( 0.582 1.577 0.991) 1.952 14.050 ( 1.266 1.426 0.242) 1.923 14.167 ( 0.632 3.996 -0.227) 4.052 ======================= Grid point 692 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 0.825 1.175 2.431) 2.824 2.749 ( 4.195 3.309 -4.460) 6.959 3.385 ( 0.288 3.422 4.001) 5.273 4.604 ( 4.643 5.193 -2.213) 7.309 5.150 ( 13.188 23.529 1.225) 27.001 5.181 ( 2.290 5.094 -2.357) 6.062 5.837 ( 4.533 7.786 -0.940) 9.058 6.439 ( 3.157 7.612 2.927) 8.745 6.829 ( 0.086 1.854 6.571) 6.828 6.957 ( 3.082 -1.683 -6.068) 7.011 6.987 ( 8.942 15.646 -0.279) 18.023 8.159 ( -0.856 1.631 -0.052) 1.843 8.393 ( -8.533 -16.694 -1.820) 18.837 9.323 ( -5.065 -8.562 0.484) 9.960 11.023 ( 2.715 -1.283 0.220) 3.010 11.112 ( -10.448 -11.388 -0.499) 15.462 11.591 ( 2.715 5.217 0.856) 5.943 13.632 ( -2.201 -2.748 -0.234) 3.529 13.779 ( 0.469 -0.210 0.676) 0.849 14.066 ( -0.447 1.790 -0.062) 1.846 14.232 ( 2.442 2.983 0.494) 3.887 ======================= Grid point 693 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 1.298 -1.566 -0.216) 2.045 2.837 ( 3.491 3.680 -3.873) 6.381 3.413 ( -0.709 0.856 3.269) 3.452 4.731 ( 4.372 6.303 -2.838) 8.179 5.198 ( -1.070 0.059 -0.753) 1.310 5.579 ( 8.310 24.535 1.484) 25.947 5.950 ( -5.725 17.360 -0.651) 18.291 6.431 ( -4.102 -6.149 6.236) 9.671 6.950 ( 6.535 3.071 -2.673) 7.700 7.044 ( 12.986 0.467 -3.232) 13.390 7.277 ( 7.385 9.185 0.714) 11.808 7.906 ( -22.612 1.000 -0.053) 22.634 8.357 ( 16.997 -16.953 -0.774) 24.019 9.156 ( -4.826 -9.252 0.402) 10.443 10.800 ( -14.309 -1.497 -0.639) 14.401 11.078 ( 7.886 -11.606 0.816) 14.056 11.695 ( -0.508 10.189 0.606) 10.219 13.586 ( -0.248 -2.423 0.711) 2.538 13.760 ( -0.548 -3.058 -0.070) 3.108 14.078 ( -2.120 4.787 0.843) 5.303 14.296 ( 2.628 0.678 0.034) 2.715 ======================= Grid point 694 (233/288) ======================= q-point: ( 0.79 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 2.003 -1.547 -1.890) 3.159 2.908 ( 1.880 3.683 -3.387) 5.345 3.401 ( -1.594 -1.110 3.291) 3.821 4.838 ( 1.078 6.899 -3.924) 8.010 5.175 ( 0.331 -1.042 -0.079) 1.096 5.873 ( -3.524 21.776 2.815) 22.238 5.978 ( -10.156 19.114 -1.614) 21.704 6.304 ( -3.736 -7.828 6.271) 10.704 7.119 ( 6.771 4.617 -3.086) 8.756 7.201 ( 7.961 -2.900 -3.483) 9.160 7.424 ( 3.890 1.566 1.274) 4.383 7.581 ( -13.769 0.089 -0.465) 13.777 8.495 ( 18.746 -19.639 -0.563) 27.155 8.995 ( -4.386 -5.746 0.492) 7.245 10.617 ( -7.157 2.680 -0.321) 7.649 11.093 ( 7.699 -12.494 0.784) 14.696 11.754 ( -5.680 11.730 0.382) 13.038 13.584 ( 1.942 -1.694 1.975) 3.247 13.715 ( 0.208 -4.942 -0.858) 5.020 14.091 ( -3.114 6.454 1.121) 7.253 14.326 ( 1.050 -1.177 -0.019) 1.577 ======================= Grid point 704 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -0.000 10.348 1.890) 10.519 2.643 ( -0.000 5.444 4.937) 7.349 3.299 ( -0.000 6.242 4.909) 7.941 4.297 ( 0.000 24.705 -0.201) 24.706 4.502 ( 0.000 1.254 -4.005) 4.197 4.769 ( 0.000 8.115 0.153) 8.117 5.483 ( 0.000 -0.376 -2.713) 2.739 6.211 ( -0.000 39.830 4.495) 40.083 6.508 ( 0.000 21.065 -1.179) 21.098 7.035 ( -0.000 -5.923 11.259) 12.722 7.264 ( 0.000 -7.114 -10.428) 12.623 7.722 ( -0.000 -14.854 0.132) 14.855 9.122 ( 0.000 -6.310 -2.081) 6.644 9.780 ( -0.000 -2.591 0.292) 2.608 10.559 ( -0.000 -3.195 -0.266) 3.206 11.381 ( 0.000 -7.553 -0.735) 7.589 11.800 ( -0.000 -4.209 -0.223) 4.214 13.598 ( 0.000 -1.462 -0.161) 1.471 13.906 ( -0.000 2.127 0.721) 2.245 13.925 ( 0.000 0.493 0.002) 0.493 14.183 ( 0.000 4.219 -0.240) 4.226 ======================= Grid point 705 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 1.462 7.921 1.029) 8.121 2.694 ( -0.720 2.762 4.078) 4.978 3.366 ( 0.480 4.832 1.417) 5.058 4.506 ( 0.556 4.894 -0.542) 4.955 4.651 ( 12.198 21.194 0.171) 24.455 4.935 ( 9.612 7.448 -1.046) 12.205 5.493 ( 5.152 -4.082 -1.839) 6.825 6.518 ( -1.758 19.807 0.781) 19.900 6.745 ( 2.730 27.084 -2.076) 27.300 6.993 ( -4.131 -2.489 11.815) 12.761 7.090 ( -9.301 -1.231 -5.651) 10.953 7.736 ( 14.133 -12.606 -0.790) 18.954 8.977 ( -10.452 -3.799 -2.086) 11.315 9.614 ( -12.725 -4.120 0.311) 13.379 10.658 ( 13.057 -5.741 0.490) 14.271 11.334 ( 3.234 -5.937 -1.218) 6.870 11.679 ( -9.075 -3.093 -0.500) 9.601 13.626 ( 4.278 -1.778 -0.060) 4.633 13.825 ( -5.815 1.518 0.034) 6.009 14.004 ( 3.654 -0.561 -1.187) 3.883 14.219 ( -0.509 4.575 0.921) 4.695 ======================= Grid point 706 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -1.793 0.541 2.991) 3.529 2.732 ( 2.214 5.738 -0.130) 6.152 3.414 ( 0.495 2.704 -0.307) 2.766 4.585 ( 3.255 4.989 1.342) 6.107 5.106 ( 16.597 20.352 0.016) 26.262 5.145 ( 6.311 3.925 -2.116) 7.727 5.624 ( 16.162 -1.810 -0.177) 16.264 6.573 ( -3.835 3.621 -2.663) 5.908 6.911 ( -3.604 -0.599 6.030) 7.051 6.993 ( -6.880 9.779 2.416) 12.198 7.061 ( 3.870 21.886 -1.882) 22.305 7.853 ( 13.962 -13.802 -1.132) 19.665 8.696 ( -20.148 1.175 -1.154) 20.215 9.363 ( -9.614 -7.306 0.256) 12.078 10.781 ( 9.865 -10.875 0.686) 14.699 11.312 ( -8.033 -0.188 -1.787) 8.232 11.543 ( 2.216 -0.851 0.412) 2.410 13.648 ( -0.626 -1.965 -0.951) 2.271 13.780 ( -1.212 1.231 0.883) 1.940 14.032 ( 2.803 -1.606 -1.918) 3.757 14.262 ( -0.205 4.367 1.149) 4.520 ======================= Grid point 707 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( -1.388 -0.369 1.431) 2.027 2.820 ( 2.556 4.517 -0.199) 5.194 3.430 ( -0.151 0.346 -0.491) 0.619 4.712 ( 4.680 6.093 1.171) 7.771 5.198 ( 0.269 -0.827 -0.795) 1.178 5.586 ( 16.916 19.775 0.077) 26.023 5.949 ( 17.819 3.728 -0.503) 18.211 6.468 ( -5.648 -5.515 -1.329) 8.006 6.929 ( 1.385 6.070 1.321) 6.365 7.017 ( -4.066 11.098 2.728) 12.130 7.284 ( 3.462 11.410 -0.959) 11.963 7.910 ( 12.021 -19.366 -0.901) 22.811 8.353 ( -23.426 6.423 0.108) 24.291 9.158 ( -5.663 -8.746 0.017) 10.420 10.795 ( 5.944 -12.932 0.453) 14.240 11.086 ( -14.396 0.959 -0.887) 14.455 11.697 ( 9.018 4.637 0.208) 10.142 13.594 ( -2.629 -0.866 -1.020) 2.949 13.756 ( -1.956 -2.252 0.739) 3.073 14.087 ( 4.469 0.794 -1.009) 4.650 14.293 ( -0.540 2.601 0.551) 2.713 ======================= Grid point 708 (238/288) ======================= q-point: ( 0.79 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -0.050 -0.087 -0.000) 0.101 2.904 ( 2.408 4.170 -0.000) 4.816 3.414 ( -0.870 -1.506 -0.000) 1.739 4.858 ( 4.279 7.411 -0.000) 8.558 5.167 ( -1.408 -2.438 -0.000) 2.816 6.034 ( 11.795 20.430 -0.000) 23.590 6.193 ( 3.657 6.334 -0.000) 7.314 6.305 ( -4.600 -7.968 -0.000) 9.200 7.057 ( 4.300 7.447 0.000) 8.600 7.064 ( 1.047 1.814 -0.000) 2.095 7.405 ( 2.950 5.109 -0.000) 5.899 7.842 ( -5.092 -8.820 -0.000) 10.184 8.110 ( -3.336 -5.779 -0.000) 6.673 9.006 ( -3.518 -6.093 -0.000) 7.036 10.741 ( -2.240 -3.880 -0.000) 4.481 10.917 ( -2.699 -4.675 -0.000) 5.398 11.866 ( 3.636 6.299 -0.000) 7.273 13.553 ( -0.662 -1.147 -0.000) 1.325 13.692 ( -1.943 -3.366 -0.000) 3.887 14.166 ( 2.011 3.484 -0.000) 4.023 14.298 ( -0.216 -0.374 -0.000) 0.432 ======================= Grid point 720 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -0.000 6.267 0.785) 6.316 2.747 ( -0.000 2.354 6.014) 6.459 3.400 ( 0.000 3.536 -2.525) 4.345 4.546 ( -0.000 3.242 2.800) 4.284 4.747 ( 0.000 21.127 -0.117) 21.128 4.909 ( 0.000 6.079 -0.244) 6.084 5.406 ( 0.000 -4.563 -1.949) 4.962 6.606 ( 0.000 0.845 -6.017) 6.076 6.950 ( -0.000 14.856 3.187) 15.194 7.080 ( -0.000 9.107 6.602) 11.248 7.284 ( 0.000 15.195 -0.509) 15.203 7.449 ( -0.000 -13.328 0.958) 13.363 9.014 ( 0.000 -3.300 -2.425) 4.095 9.737 ( -0.000 -1.863 -0.057) 1.864 10.465 ( -0.000 -6.048 0.810) 6.102 11.226 ( 0.000 -7.007 -1.379) 7.141 11.734 ( 0.000 -2.473 -0.911) 2.636 13.569 ( -0.000 -1.346 -0.046) 1.346 13.908 ( 0.000 -1.039 -2.817) 3.002 13.945 ( -0.000 1.388 0.442) 1.456 14.264 ( -0.000 3.594 0.900) 3.705 ======================= Grid point 721 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -0.933 2.835 0.771) 3.082 2.775 ( -0.528 2.995 5.898) 6.636 3.420 ( 0.433 1.862 -4.339) 4.742 4.601 ( 1.320 4.113 4.695) 6.380 5.039 ( 10.975 15.677 -0.577) 19.145 5.045 ( 9.078 5.967 -0.573) 10.878 5.401 ( 6.202 -3.930 -0.650) 7.371 6.563 ( -0.097 -4.006 -8.195) 9.122 6.987 ( -2.961 -1.258 9.422) 9.956 7.231 ( -1.310 17.281 -0.569) 17.340 7.258 ( -5.696 7.766 2.325) 9.908 7.554 ( 8.583 -1.137 0.190) 8.660 8.930 ( -6.735 0.258 -2.115) 7.064 9.540 ( -16.769 -3.575 0.234) 17.147 10.522 ( 9.914 -7.707 0.718) 12.577 11.240 ( 8.527 -2.899 -1.373) 9.111 11.626 ( -8.954 -2.043 -0.782) 9.217 13.593 ( 3.411 -1.326 -0.228) 3.667 13.850 ( -3.609 1.334 -1.514) 4.135 13.969 ( 1.309 -1.591 -1.493) 2.544 14.301 ( 0.326 2.959 0.725) 3.064 ======================= Grid point 722 (241/288) ======================= q-point: ( 0.71 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -2.985 0.736 2.611) 4.033 2.833 ( 1.357 3.563 3.367) 5.087 3.422 ( 0.312 -0.166 -4.207) 4.222 4.702 ( 3.736 4.576 4.917) 7.686 5.169 ( 2.761 0.325 -0.844) 2.905 5.436 ( 17.873 13.144 -0.607) 22.194 5.607 ( 20.428 -0.534 0.091) 20.435 6.466 ( -3.055 -6.271 -7.584) 10.304 6.995 ( 0.288 5.499 6.318) 8.381 7.243 ( -5.128 5.858 4.670) 9.078 7.366 ( 0.320 10.047 -2.187) 10.287 7.612 ( 3.302 -7.148 -0.002) 7.874 8.782 ( -15.927 7.893 -0.901) 17.799 9.208 ( -13.185 -9.011 0.160) 15.971 10.581 ( 6.727 -8.495 0.407) 10.843 11.321 ( -8.719 1.553 -1.718) 9.022 11.526 ( 9.267 -1.268 0.169) 9.355 13.614 ( 0.030 -0.666 -1.654) 1.783 13.801 ( -4.234 0.445 0.640) 4.305 13.988 ( 4.906 -1.250 -2.112) 5.485 14.329 ( -0.226 1.852 0.290) 1.888 ======================= Grid point 736 (242/288) ======================= q-point: ( 0.64 0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 0.000 2.752 0.220) 2.761 2.821 ( -0.000 0.934 8.157) 8.211 3.412 ( 0.000 0.780 -6.576) 6.622 4.644 ( -0.000 3.213 6.769) 7.493 4.994 ( 0.000 2.965 -0.703) 3.047 5.092 ( 0.000 13.607 0.451) 13.615 5.317 ( 0.000 -2.949 -1.254) 3.205 6.498 ( 0.000 -3.491 -8.815) 9.481 7.028 ( -0.000 -2.105 10.278) 10.492 7.229 ( -0.000 -9.330 0.711) 9.357 7.393 ( 0.000 13.359 -1.408) 13.433 7.624 ( -0.000 13.633 2.273) 13.821 8.963 ( 0.000 -0.623 -2.256) 2.340 9.711 ( -0.000 -0.779 -0.018) 0.780 10.358 ( -0.000 -4.797 0.919) 4.884 11.110 ( 0.000 -3.944 -1.178) 4.116 11.690 ( 0.000 -1.366 -1.300) 1.885 13.549 ( -0.000 -0.685 0.251) 0.729 13.867 ( 0.000 -0.468 -4.206) 4.232 13.963 ( 0.000 0.384 -0.091) 0.395 14.318 ( -0.000 1.336 0.303) 1.370 ======================= Grid point 738 (243/288) ======================= q-point: (-0.29 -0.36 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -2.074 0.774 1.358) 2.597 2.858 ( 0.597 1.226 7.311) 7.438 3.394 ( 0.303 -0.808 -6.706) 6.761 4.707 ( 1.853 2.339 7.226) 7.818 5.092 ( 7.279 1.654 -0.928) 7.522 5.290 ( 10.431 7.527 0.301) 12.867 5.348 ( 7.808 -0.814 -0.743) 7.886 6.430 ( -1.809 -3.419 -8.640) 9.467 7.043 ( 0.811 1.390 8.670) 8.818 7.198 ( 4.199 -6.467 1.255) 7.812 7.465 ( -2.487 6.393 -1.161) 6.957 7.689 ( -4.733 5.905 1.767) 7.771 8.946 ( -1.324 1.911 -1.904) 3.005 9.485 ( -21.750 -1.983 0.416) 21.844 10.409 ( 7.046 -3.411 0.548) 7.848 11.198 ( 12.943 -0.932 -1.085) 13.022 11.590 ( -9.333 -1.048 -1.150) 9.462 13.575 ( 2.722 -0.326 -0.306) 2.758 13.862 ( 0.150 1.711 -3.049) 3.499 13.935 ( -2.090 -1.256 -0.865) 2.587 14.333 ( 0.743 -0.042 -0.086) 0.749 ======================= Grid point 753 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 0.000 -0.403 -0.045) 0.406 2.881 ( -0.000 -0.585 9.436) 9.454 3.357 ( 0.000 -1.981 -7.313) 7.576 4.726 ( -0.000 0.022 7.653) 7.653 5.015 ( 0.000 -0.248 -0.912) 0.945 5.245 ( -0.000 0.708 1.092) 1.301 5.304 ( 0.000 3.256 -1.697) 3.672 6.406 ( 0.000 -0.699 -7.380) 7.413 7.058 ( -0.000 -0.810 9.005) 9.041 7.126 ( -0.000 -0.748 0.097) 0.755 7.518 ( 0.000 -0.008 -1.386) 1.386 7.767 ( -0.000 -0.704 2.182) 2.293 8.956 ( 0.000 1.192 -2.009) 2.336 9.705 ( -0.000 0.120 0.117) 0.167 10.314 ( -0.000 0.060 0.882) 0.884 11.060 ( 0.000 -0.604 -1.094) 1.250 11.665 ( 0.000 -0.306 -1.573) 1.602 13.547 ( -0.000 0.176 0.466) 0.498 13.854 ( 0.000 2.225 -4.681) 5.183 13.960 ( 0.000 -0.492 -0.457) 0.672 14.313 ( 0.000 -1.912 -0.234) 1.927 ======================= Grid point 860 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -0.000 0.000 27.995) 27.995 1.213 ( -0.000 0.000 27.995) 27.995 2.269 ( -0.000 0.000 56.847) 56.847 3.200 ( 0.000 -0.000 -14.725) 14.725 3.200 ( 0.000 -0.000 -14.725) 14.725 4.276 ( -0.000 0.000 3.806) 3.806 4.276 ( -0.000 0.000 3.806) 3.806 5.321 ( 0.000 -0.000 -35.098) 35.098 6.929 ( -0.000 0.000 5.774) 5.774 7.419 ( -0.000 0.000 0.328) 0.328 8.474 ( -0.000 0.000 0.562) 0.562 8.474 ( -0.000 0.000 0.562) 0.562 8.844 ( 0.000 -0.000 -0.497) 0.497 9.960 ( 0.000 -0.000 -0.679) 0.679 9.960 ( 0.000 -0.000 -0.679) 0.679 11.592 ( -0.000 0.000 2.623) 2.623 12.735 ( 0.000 -0.000 -0.108) 0.108 13.636 ( -0.000 0.000 0.210) 0.210 13.636 ( -0.000 0.000 0.210) 0.210 13.784 ( -0.000 0.000 0.008) 0.008 13.784 ( -0.000 0.000 0.008) 0.008 ======================= Grid point 861 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 14.620 8.441 20.783) 26.775 1.594 ( 21.227 12.256 19.462) 31.298 2.523 ( 6.617 3.820 43.119) 43.791 3.276 ( 8.672 5.007 -13.210) 16.576 3.429 ( 25.232 14.568 -6.456) 29.843 4.314 ( 2.993 1.728 3.468) 4.896 4.393 ( 7.489 4.324 0.427) 8.658 5.203 ( 1.446 0.835 -28.029) 28.079 6.686 ( -18.049 -10.420 13.496) 24.829 7.320 ( -6.075 -3.507 5.542) 8.940 8.136 ( -14.543 -8.397 -12.481) 20.923 8.408 ( -5.343 -3.085 0.389) 6.182 9.388 ( 20.836 12.030 -2.899) 24.234 9.946 ( 3.390 1.957 -0.639) 3.967 9.953 ( -1.111 -0.641 -0.618) 1.424 11.582 ( -1.289 -0.744 2.594) 2.990 12.510 ( -15.154 -8.749 5.002) 18.199 13.638 ( -0.040 -0.023 0.243) 0.248 13.674 ( 2.042 1.179 -0.294) 2.376 13.795 ( 1.040 0.600 -0.045) 1.201 13.934 ( 10.139 5.854 -4.132) 12.415 ======================= Grid point 862 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 17.568 10.143 11.027) 23.090 2.116 ( 19.718 11.384 11.427) 25.475 2.783 ( 7.147 4.126 24.733) 26.074 3.503 ( 14.492 8.367 -8.538) 18.786 4.184 ( 37.520 21.662 1.817) 43.362 4.427 ( 6.060 3.499 2.426) 7.406 4.524 ( 6.232 3.598 -5.193) 8.874 5.337 ( 16.306 9.415 -15.171) 24.180 6.369 ( -12.389 -7.153 9.868) 17.378 7.188 ( -8.008 -4.623 8.353) 12.461 7.802 ( -11.303 -6.526 -15.479) 20.247 8.245 ( -9.018 -5.207 -0.200) 10.415 9.462 ( -6.721 -3.880 -1.222) 7.856 9.910 ( -2.515 -1.452 -0.289) 2.918 10.218 ( 15.012 8.667 -0.817) 17.354 11.561 ( -1.257 -0.726 2.026) 2.493 12.176 ( -15.378 -8.879 3.855) 18.171 13.633 ( -0.517 -0.299 0.316) 0.675 13.767 ( 5.691 3.286 2.933) 7.196 13.829 ( 1.917 1.107 -0.125) 2.217 14.078 ( 3.897 2.250 -6.151) 7.621 ======================= Grid point 863 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 13.866 8.005 4.072) 16.521 2.523 ( 14.256 8.231 4.219) 16.993 2.993 ( 5.928 3.422 16.373) 17.746 3.863 ( 18.934 10.932 -3.476) 22.138 4.498 ( 3.118 1.800 -7.404) 8.233 4.589 ( 7.574 4.373 1.319) 8.844 5.177 ( 37.371 21.576 3.514) 43.296 5.680 ( 13.825 7.982 -9.114) 18.382 6.269 ( 5.128 2.961 2.342) 6.368 7.016 ( -9.299 -5.369 11.071) 15.423 7.549 ( -7.380 -4.261 -12.655) 15.257 8.013 ( -11.292 -6.519 -0.861) 13.067 9.273 ( -8.614 -4.973 -1.208) 10.019 9.845 ( -3.030 -1.749 0.063) 3.499 10.469 ( 7.034 4.061 1.149) 8.203 11.512 ( -4.489 -2.592 0.845) 5.251 11.882 ( -10.542 -6.086 2.844) 12.500 13.617 ( -0.931 -0.538 0.261) 1.107 13.875 ( 2.096 1.210 -0.105) 2.423 13.909 ( 4.842 2.796 3.049) 6.369 14.099 ( 0.711 0.411 -4.096) 4.177 ======================= Grid point 864 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 9.036 5.217 0.845) 10.468 2.775 ( 8.213 4.742 -3.310) 10.044 3.153 ( 4.458 2.574 12.654) 13.661 4.306 ( 20.518 11.846 -0.751) 23.704 4.556 ( 4.104 2.370 -5.625) 7.356 4.760 ( 7.072 4.083 0.730) 8.199 5.523 ( -2.368 -1.367 -5.333) 5.993 6.215 ( 32.623 18.835 4.463) 37.933 6.528 ( 9.254 5.343 -2.270) 10.924 6.940 ( 4.666 2.694 9.771) 11.158 7.381 ( -4.721 -2.726 -10.680) 11.991 7.744 ( -12.225 -7.058 -1.234) 14.170 9.094 ( -6.779 -3.914 -0.486) 7.842 9.781 ( -2.589 -1.494 0.228) 2.998 10.545 ( -0.244 -0.141 0.618) 0.680 11.356 ( -8.411 -4.856 0.949) 9.758 11.746 ( -3.441 -1.987 3.061) 5.016 13.594 ( -1.113 -0.643 0.077) 1.287 13.917 ( 1.667 0.963 0.008) 1.925 13.936 ( -2.292 -1.323 -0.650) 2.725 14.157 ( 4.599 2.655 1.243) 5.454 ======================= Grid point 865 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 5.237 3.023 -0.010) 6.047 2.884 ( 3.566 2.059 -8.111) 9.096 3.271 ( 2.935 1.694 10.110) 10.663 4.639 ( 4.553 2.629 -5.847) 7.863 4.748 ( 18.402 10.624 -0.213) 21.250 4.900 ( 5.104 2.947 0.661) 5.930 5.405 ( -5.398 -3.117 -1.653) 6.449 6.492 ( -4.161 -2.402 5.496) 7.300 6.917 ( 22.813 13.171 3.880) 26.626 7.252 ( 2.279 1.316 -4.804) 5.478 7.299 ( 14.253 8.229 -5.664) 17.405 7.469 ( -11.663 -6.733 -1.111) 13.513 8.978 ( -3.473 -2.005 1.159) 4.175 9.735 ( -1.598 -0.923 0.160) 1.853 10.481 ( -4.739 -2.736 -0.827) 5.535 11.195 ( -5.979 -3.452 1.852) 7.148 11.701 ( -1.775 -1.025 2.436) 3.183 13.570 ( -0.975 -0.563 -0.162) 1.137 13.868 ( -2.977 -1.719 1.278) 3.668 13.947 ( 0.952 0.550 0.166) 1.111 14.259 ( 3.619 2.090 1.278) 4.370 ======================= Grid point 866 (251/288) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 2.287 1.320 -0.049) 2.641 2.905 ( 1.059 0.611 -9.728) 9.805 3.342 ( 0.825 0.476 8.225) 8.280 4.711 ( 3.329 1.922 -7.428) 8.364 4.987 ( 2.505 1.446 0.866) 3.020 5.097 ( 12.036 6.949 -0.715) 13.917 5.305 ( -3.020 -1.744 1.495) 3.794 6.423 ( -3.007 -1.736 7.185) 7.980 7.116 ( -1.411 -0.815 -8.482) 8.637 7.235 ( -8.369 -4.832 -0.563) 9.680 7.381 ( 11.246 6.493 0.873) 13.015 7.644 ( 11.704 6.757 -2.133) 13.682 8.942 ( -0.491 -0.283 2.139) 2.213 9.711 ( -0.607 -0.350 -0.015) 0.701 10.367 ( -4.244 -2.451 -1.037) 5.010 11.098 ( -3.174 -1.833 1.370) 3.913 11.675 ( -1.091 -0.630 1.842) 2.232 13.552 ( -0.510 -0.294 -0.366) 0.694 13.830 ( -0.947 -0.547 3.810) 3.964 13.961 ( 0.212 0.123 0.328) 0.410 14.317 ( 1.195 0.690 0.540) 1.482 ======================= Grid point 875 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -0.000 15.450 19.955) 25.237 1.645 ( -0.000 23.246 17.921) 29.351 2.676 ( -0.000 7.452 40.574) 41.253 3.171 ( 0.000 8.272 -11.484) 14.153 3.466 ( 0.000 32.433 -6.609) 33.100 4.343 ( -0.000 4.071 2.361) 4.706 4.387 ( -0.000 9.208 0.839) 9.246 5.072 ( 0.000 -2.618 -27.790) 27.913 6.697 ( -0.000 -22.632 12.366) 25.790 7.333 ( -0.000 -6.265 4.985) 8.007 8.126 ( 0.000 -15.345 -11.731) 19.316 8.427 ( -0.000 -5.704 -0.043) 5.705 9.364 ( 0.000 22.132 -2.017) 22.223 9.929 ( -0.000 -2.025 -0.073) 2.026 9.997 ( 0.000 9.059 -2.302) 9.347 11.587 ( -0.000 -1.806 2.489) 3.075 12.500 ( -0.000 -19.081 5.095) 19.749 13.636 ( -0.000 0.002 0.306) 0.306 13.763 ( 0.000 9.262 -4.094) 10.126 13.794 ( 0.000 0.929 -0.016) 0.929 13.847 ( 0.000 5.165 0.025) 5.165 ======================= Grid point 876 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 8.971 15.948 12.242) 22.016 2.024 ( 11.554 19.008 11.644) 25.107 2.856 ( 1.103 7.544 25.394) 26.514 3.370 ( 11.683 13.728 -7.968) 19.709 3.972 ( 18.036 36.822 2.712) 41.092 4.440 ( 4.492 9.470 1.078) 10.537 4.482 ( 1.113 5.809 -6.647) 8.898 5.109 ( 12.593 6.543 -14.592) 20.355 6.451 ( -7.619 -17.490 10.290) 21.675 7.260 ( -3.770 -6.006 7.217) 10.118 7.845 ( -9.607 -11.690 -14.688) 21.087 8.337 ( -4.040 -5.065 -0.432) 6.493 9.458 ( -1.790 -5.330 -0.736) 5.671 9.863 ( -2.285 -4.545 0.005) 5.087 10.229 ( 7.956 21.447 -3.002) 23.071 11.573 ( -0.403 -1.479 2.198) 2.680 12.258 ( -8.271 -17.215 4.231) 19.562 13.680 ( 3.794 -0.748 0.556) 3.907 13.713 ( -3.967 5.646 0.137) 6.902 13.842 ( 0.145 3.044 1.854) 3.567 13.997 ( 6.679 4.078 -5.463) 9.543 ======================= Grid point 877 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 11.016 12.060 5.148) 17.126 2.404 ( 11.935 11.535 5.408) 17.457 3.022 ( 2.706 6.372 16.779) 18.151 3.732 ( 13.953 19.263 -3.943) 24.110 4.434 ( 5.143 4.558 -5.081) 8.546 4.560 ( 4.793 9.296 -1.194) 10.526 4.898 ( 26.727 33.602 2.690) 43.019 5.477 ( 19.299 13.802 -8.618) 25.243 6.226 ( -3.494 -9.970 4.373) 11.433 7.130 ( -7.305 -6.936 10.189) 14.328 7.553 ( -6.730 -9.828 -13.303) 17.856 8.186 ( -10.197 -1.103 -0.503) 10.269 9.287 ( -5.020 -12.685 -0.810) 13.666 9.781 ( -0.246 -8.224 0.258) 8.231 10.529 ( 3.863 18.022 -0.491) 18.437 11.555 ( -1.654 -0.849 1.318) 2.279 11.950 ( -9.623 -15.024 2.070) 17.961 13.668 ( -2.567 2.552 0.179) 3.624 13.798 ( 4.377 -0.307 0.335) 4.401 13.896 ( 2.665 3.450 4.379) 6.180 14.077 ( 2.015 2.002 -5.828) 6.484 ======================= Grid point 878 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 8.978 7.612 1.426) 11.857 2.666 ( 8.773 5.017 -1.165) 10.173 3.169 ( 2.813 5.073 11.985) 13.315 4.168 ( 15.020 20.895 -0.995) 25.753 4.503 ( 3.526 3.447 -5.737) 7.565 4.750 ( 4.515 11.605 0.406) 12.459 5.530 ( 6.096 10.891 -2.705) 12.771 5.924 ( 24.949 22.032 -0.546) 33.290 6.312 ( 17.670 2.910 -0.874) 17.929 6.969 ( -6.129 -6.721 11.592) 14.735 7.350 ( -2.913 -8.576 -11.064) 14.298 7.975 ( -15.277 2.597 -0.427) 15.502 9.088 ( -2.631 -13.246 -0.869) 13.533 9.696 ( 1.058 -10.747 0.430) 10.807 10.685 ( -3.898 13.816 0.534) 14.366 11.468 ( -8.086 -2.104 0.220) 8.358 11.722 ( -1.403 -11.641 2.643) 12.020 13.652 ( -3.225 3.366 0.319) 4.672 13.825 ( 2.951 -4.488 -0.664) 5.412 13.988 ( 0.537 2.674 2.350) 3.600 14.117 ( 3.301 2.905 -1.777) 4.742 ======================= Grid point 879 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 6.120 4.111 0.410) 7.384 2.797 ( 5.373 0.899 -6.364) 8.378 3.286 ( 2.107 3.745 9.116) 10.078 4.550 ( 7.793 5.623 -4.214) 10.493 4.658 ( 10.512 18.681 -0.753) 21.449 4.921 ( 2.041 11.459 0.420) 11.647 5.500 ( -7.330 2.243 -2.394) 8.031 6.503 ( 8.049 2.843 2.341) 8.852 6.688 ( 21.581 16.908 3.917) 27.694 6.999 ( 14.945 -1.523 3.579) 15.443 7.209 ( -0.386 -7.016 -10.629) 12.742 7.733 ( -17.211 4.874 -0.362) 17.892 8.953 ( 0.685 -10.562 0.311) 10.589 9.614 ( 2.848 -13.061 0.323) 13.372 10.669 ( -10.894 9.152 -0.576) 14.240 11.308 ( -7.607 -0.434 1.441) 7.754 11.652 ( 2.091 -8.684 2.313) 9.227 13.623 ( -3.603 2.606 0.197) 4.451 13.827 ( 2.811 -4.404 -0.316) 5.234 13.983 ( -2.625 1.514 1.068) 3.213 14.220 ( 4.428 2.843 0.634) 5.301 ======================= Grid point 880 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 3.599 1.162 0.194) 3.787 2.845 ( 3.033 0.016 -8.607) 9.126 3.364 ( 0.813 1.872 7.437) 7.712 4.653 ( 3.923 3.248 -6.311) 8.110 5.031 ( 3.778 13.016 1.012) 13.590 5.043 ( 5.278 14.672 -0.066) 15.592 5.398 ( -7.110 3.753 -0.041) 8.040 6.487 ( -4.109 -2.480 8.090) 9.407 7.066 ( 1.700 -2.894 -7.155) 7.903 7.212 ( 15.655 7.295 2.391) 17.436 7.300 ( 7.927 -1.219 -5.870) 9.939 7.555 ( -4.133 6.664 0.094) 7.842 8.913 ( 3.228 -5.395 1.664) 6.504 9.542 ( 5.369 -16.165 -0.044) 17.034 10.530 ( -11.683 4.549 -0.894) 12.569 11.226 ( -6.539 6.042 1.575) 9.041 11.615 ( 2.650 -8.366 1.555) 8.913 13.591 ( -2.663 1.849 0.244) 3.251 13.835 ( 1.467 -1.592 1.529) 2.651 13.957 ( -1.454 -0.386 1.247) 1.954 14.303 ( 2.353 1.839 0.260) 2.997 ======================= Grid point 890 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -0.000 16.905 9.285) 19.287 2.160 ( -0.000 19.551 9.235) 21.622 2.997 ( -0.000 7.014 19.032) 20.284 3.391 ( 0.000 19.054 -4.597) 19.600 4.282 ( 0.000 47.991 2.105) 48.037 4.458 ( -0.000 6.639 0.923) 6.703 4.508 ( 0.000 4.503 -11.607) 12.450 5.058 ( 0.000 14.204 -3.513) 14.632 6.375 ( -0.000 -15.556 8.297) 17.630 7.253 ( -0.000 -6.045 7.356) 9.521 7.770 ( 0.000 -13.263 -15.272) 20.227 8.258 ( -0.000 -11.140 -0.699) 11.162 9.438 ( -0.000 -6.680 -0.280) 6.686 9.886 ( -0.000 -2.598 0.639) 2.675 10.314 ( 0.000 18.819 -5.050) 19.485 11.562 ( -0.000 -2.281 2.097) 3.098 12.174 ( -0.000 -16.575 3.966) 17.043 13.636 ( -0.000 -0.308 0.221) 0.379 13.820 ( -0.000 1.781 0.199) 1.792 13.869 ( -0.000 3.035 1.602) 3.432 13.965 ( 0.000 7.504 -4.012) 8.509 ======================= Grid point 891 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 5.071 14.350 4.654) 15.916 2.399 ( 5.211 13.396 5.672) 15.453 3.109 ( 0.342 6.536 12.555) 14.158 3.702 ( 12.157 22.494 -2.074) 25.653 4.430 ( -1.128 4.356 -6.061) 7.549 4.584 ( 4.074 10.330 -3.295) 11.583 4.928 ( 14.276 42.797 1.225) 45.132 5.330 ( 12.396 18.080 1.044) 21.947 6.228 ( -5.186 -7.924 3.667) 10.155 7.188 ( -3.735 -6.418 9.302) 11.902 7.518 ( -7.080 -12.809 -13.591) 19.973 8.194 ( 3.793 -9.132 -1.120) 9.951 9.281 ( -8.167 -10.478 -0.384) 13.290 9.779 ( -6.439 -4.282 0.353) 7.741 10.566 ( 9.704 13.337 -2.882) 16.743 11.549 ( 0.665 -2.605 1.623) 3.140 11.962 ( -8.157 -14.112 1.406) 16.360 13.667 ( 3.290 -0.628 0.292) 3.362 13.798 ( -2.549 1.927 0.179) 3.200 13.920 ( 0.940 3.258 4.688) 5.786 14.045 ( 2.311 4.596 -5.465) 7.505 ======================= Grid point 892 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 6.180 10.241 1.655) 12.076 2.598 ( 5.338 6.208 1.350) 8.297 3.218 ( 1.600 5.822 8.133) 10.129 4.153 ( 13.601 23.621 -0.824) 27.269 4.468 ( 3.250 4.280 -4.208) 6.825 4.788 ( 6.337 12.988 -1.156) 14.498 5.531 ( 13.032 24.514 0.448) 27.766 5.776 ( 16.486 19.045 -1.185) 25.217 6.156 ( 2.867 6.823 1.134) 7.487 7.057 ( -7.491 -7.049 11.095) 15.129 7.267 ( -3.528 -11.435 -11.227) 16.409 8.164 ( -1.732 -1.765 -0.621) 2.550 9.003 ( -8.446 -14.778 -0.824) 17.041 9.634 ( -4.196 -7.203 0.351) 8.343 10.812 ( 5.410 10.635 -0.562) 11.946 11.542 ( 0.447 -1.889 1.124) 2.243 11.663 ( -10.305 -13.771 0.032) 17.200 13.713 ( 1.031 1.859 0.382) 2.160 13.767 ( -1.028 -2.893 0.034) 3.071 14.000 ( 1.921 3.888 4.485) 6.239 14.093 ( 1.692 3.042 -4.468) 5.664 ======================= Grid point 893 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 5.025 6.353 1.107) 8.176 2.706 ( 4.107 1.077 -3.337) 5.400 3.319 ( 1.727 4.532 5.526) 7.352 4.488 ( 5.877 7.303 -2.765) 9.774 4.688 ( 10.832 22.182 0.017) 24.685 5.002 ( 3.719 12.502 -0.424) 13.051 5.678 ( -6.949 7.867 -1.183) 10.564 6.259 ( 22.812 10.280 -1.324) 25.056 6.548 ( 17.995 22.060 1.560) 28.511 6.911 ( -4.317 -5.358 9.514) 11.741 7.100 ( -0.556 -9.761 -9.761) 13.815 8.066 ( -12.885 5.704 0.345) 14.096 8.762 ( 1.180 -19.100 -0.863) 19.156 9.498 ( -2.471 -9.570 0.378) 9.891 10.919 ( -5.460 9.242 -0.404) 10.742 11.385 ( -5.842 -10.687 0.327) 12.183 11.545 ( 1.348 -2.995 1.486) 3.605 13.696 ( -2.622 -2.118 0.365) 3.390 13.759 ( 1.421 0.799 -0.409) 1.681 14.038 ( -1.447 1.379 1.526) 2.515 14.171 ( 4.426 3.292 -0.697) 5.560 ======================= Grid point 894 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 2.564 0.870 1.189) 2.957 2.764 ( 4.179 1.572 -6.145) 7.596 3.391 ( 0.870 2.452 4.409) 5.119 4.609 ( 4.062 5.026 -3.757) 7.475 5.103 ( 9.058 24.416 0.828) 26.056 5.134 ( 0.231 7.675 0.402) 7.689 5.626 ( -9.599 12.960 -0.613) 16.139 6.531 ( 1.251 -1.690 5.958) 6.318 6.947 ( 7.887 -3.338 -2.008) 8.797 7.032 ( 12.954 7.569 -2.181) 15.161 7.052 ( 13.465 5.165 -3.337) 14.803 7.845 ( -18.740 5.111 0.591) 19.434 8.690 ( 10.531 -16.348 0.160) 19.447 9.363 ( -1.438 -12.033 0.220) 12.121 10.789 ( -14.488 3.014 -0.880) 14.824 11.297 ( 3.610 -6.866 1.579) 7.916 11.542 ( -1.683 1.878 0.725) 2.624 13.639 ( -1.622 -1.913 0.875) 2.656 13.786 ( 1.487 -0.116 -0.554) 1.591 14.015 ( -3.135 1.708 1.758) 3.979 14.269 ( 3.849 2.000 -0.323) 4.350 ======================= Grid point 906 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -0.000 13.783 3.127) 14.134 2.501 ( -0.000 11.406 4.913) 12.419 3.198 ( -0.000 5.729 7.073) 9.102 3.812 ( 0.000 24.607 -0.373) 24.610 4.456 ( 0.000 1.747 -8.680) 8.854 4.607 ( 0.000 8.230 0.129) 8.231 5.256 ( 0.000 39.852 -1.312) 39.873 5.435 ( -0.000 24.260 7.501) 25.393 6.255 ( -0.000 2.198 2.371) 3.233 7.187 ( -0.000 -6.071 9.166) 10.994 7.427 ( 0.000 -12.343 -13.541) 18.322 8.005 ( -0.000 -14.057 -0.360) 14.061 9.268 ( 0.000 -8.993 -0.802) 9.028 9.836 ( -0.000 -2.923 0.619) 2.988 10.534 ( 0.000 6.400 -3.015) 7.075 11.508 ( -0.000 -4.982 0.986) 5.078 11.926 ( -0.000 -9.872 0.219) 9.874 13.623 ( -0.000 -1.053 -0.079) 1.056 13.864 ( -0.000 2.349 0.568) 2.417 13.920 ( -0.000 0.762 2.742) 2.846 14.077 ( 0.000 6.252 -2.901) 6.892 ======================= Grid point 907 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 2.556 11.157 1.467) 11.539 2.618 ( 1.123 6.842 3.674) 7.847 3.271 ( 0.751 5.362 2.627) 6.018 4.162 ( 11.379 24.323 -0.313) 26.855 4.460 ( 1.062 3.756 -2.356) 4.559 4.765 ( 7.857 9.498 -1.303) 12.395 5.507 ( 6.992 6.400 -0.275) 9.483 5.878 ( 6.206 39.808 4.217) 40.509 6.301 ( -3.519 15.595 0.328) 15.990 7.126 ( -3.458 -6.272 8.932) 11.449 7.204 ( -6.778 -10.741 -9.537) 15.883 7.978 ( 10.744 -12.068 -0.853) 16.180 9.090 ( -10.788 -8.260 -0.938) 13.620 9.698 ( -9.563 -4.347 0.263) 10.508 10.700 ( 12.681 2.256 -1.047) 12.923 11.465 ( 1.661 -6.896 0.355) 7.102 11.760 ( -9.564 -6.479 -1.151) 11.609 13.655 ( 4.526 -1.033 0.026) 4.642 13.811 ( -5.178 0.095 0.843) 5.247 13.996 ( 3.936 1.410 1.453) 4.426 14.118 ( -0.811 5.592 -1.863) 5.949 ======================= Grid point 908 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 3.312 8.066 0.390) 8.728 2.681 ( 0.186 2.271 1.769) 2.885 3.344 ( 1.635 4.329 0.377) 4.642 4.475 ( 3.608 7.642 -0.253) 8.455 4.687 ( 14.423 21.132 0.289) 25.586 5.006 ( 8.375 9.673 -1.326) 12.864 5.673 ( 10.840 -2.236 -0.003) 11.069 6.245 ( -1.372 25.512 1.603) 25.599 6.560 ( 9.387 27.300 -0.890) 28.882 6.992 ( -4.991 -7.123 -2.373) 9.016 7.011 ( -5.001 -6.403 4.108) 9.104 8.072 ( 11.202 -8.069 -0.856) 13.832 8.760 ( -17.488 -8.429 -0.461) 19.418 9.500 ( -7.067 -6.890 0.092) 9.870 10.915 ( 10.695 -0.628 0.338) 10.718 11.389 ( -6.216 -9.330 -0.464) 11.221 11.555 ( -4.278 -0.611 -0.713) 4.380 13.699 ( -0.754 -3.294 -0.287) 3.391 13.753 ( 0.479 1.641 0.725) 1.857 14.048 ( 1.591 -0.258 -0.681) 1.749 14.167 ( 0.614 5.516 0.249) 5.556 ======================= Grid point 909 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -0.296 -0.514 -0.000) 0.593 2.721 ( 3.297 5.710 -0.000) 6.594 3.404 ( 1.343 2.326 0.000) 2.686 4.594 ( 3.518 6.093 -0.000) 7.036 5.156 ( 13.758 23.829 -0.000) 27.515 5.169 ( 2.587 4.481 0.000) 5.175 5.832 ( 4.483 7.765 -0.000) 8.966 6.453 ( 4.838 8.379 -0.000) 9.675 6.885 ( -0.221 -0.383 0.000) 0.442 6.903 ( -1.037 -1.796 -0.000) 2.074 6.987 ( 10.442 18.086 -0.000) 20.884 8.159 ( 0.531 0.920 -0.000) 1.063 8.384 ( -9.394 -16.271 -0.000) 18.789 9.325 ( -4.978 -8.622 -0.000) 9.956 11.025 ( 0.215 0.372 -0.000) 0.430 11.110 ( -7.639 -13.231 -0.000) 15.277 11.595 ( 2.948 5.106 -0.000) 5.896 13.631 ( -1.765 -3.057 -0.000) 3.530 13.782 ( 0.044 0.077 -0.000) 0.089 14.065 ( 0.603 1.044 -0.000) 1.205 14.234 ( 1.965 3.403 -0.000) 3.930 ======================= Grid point 922 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -0.000 9.930 1.133) 9.994 2.690 ( -0.000 5.752 5.153) 7.722 3.312 ( 0.000 4.597 -2.292) 5.137 4.297 ( 0.000 24.621 0.139) 24.621 4.484 ( -0.000 3.647 0.330) 3.662 4.768 ( 0.000 8.075 -0.179) 8.077 5.472 ( -0.000 -1.333 0.164) 1.343 6.242 ( 0.000 39.187 1.939) 39.235 6.502 ( 0.000 18.011 0.021) 18.011 7.105 ( 0.000 -4.209 -1.081) 4.345 7.200 ( -0.000 -4.972 1.761) 5.274 7.725 ( -0.000 -14.526 0.660) 14.541 9.105 ( 0.000 -6.786 -1.518) 6.954 9.782 ( -0.000 -2.766 0.133) 2.769 10.555 ( 0.000 -2.199 -0.450) 2.244 11.374 ( 0.000 -8.238 -0.898) 8.286 11.792 ( 0.000 -4.203 -1.563) 4.484 13.597 ( 0.000 -1.451 -0.157) 1.460 13.912 ( -0.000 2.105 0.568) 2.180 13.926 ( -0.000 -1.138 0.302) 1.178 14.178 ( 0.000 5.340 -0.802) 5.400 ======================= Grid point 923 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 1.076 7.505 0.175) 7.584 2.740 ( -1.570 3.553 5.815) 6.994 3.351 ( 1.204 3.690 -4.564) 5.991 4.516 ( 0.524 7.023 2.677) 7.534 4.653 ( 11.991 20.427 0.348) 23.689 4.927 ( 8.931 7.509 -0.817) 11.697 5.487 ( 5.615 -4.479 0.445) 7.197 6.518 ( -1.744 13.946 -0.800) 14.077 6.721 ( 3.382 27.678 -3.162) 28.062 7.037 ( -8.300 5.867 -4.538) 11.131 7.106 ( -5.619 -4.124 11.442) 13.398 7.732 ( 13.453 -12.470 -0.170) 18.345 8.961 ( -10.058 -4.176 -1.361) 10.975 9.615 ( -12.658 -4.114 -0.003) 13.310 10.663 ( 13.179 -5.345 0.593) 14.234 11.322 ( 3.271 -6.313 -1.463) 7.259 11.670 ( -8.836 -2.826 -1.546) 9.405 13.625 ( 4.225 -1.829 -0.142) 4.606 13.825 ( -5.482 0.869 0.124) 5.552 13.993 ( 3.180 -1.177 -1.093) 3.563 14.223 ( -0.206 5.141 0.058) 5.146 ======================= Grid point 939 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 0.000 6.077 0.441) 6.093 2.811 ( -0.000 2.963 7.650) 8.204 3.354 ( 0.000 2.944 -7.354) 7.921 4.585 ( -0.000 4.531 5.393) 7.043 4.746 ( 0.000 21.185 0.041) 21.185 4.905 ( 0.000 5.960 -0.493) 5.980 5.397 ( -0.000 -5.017 0.029) 5.017 6.548 ( 0.000 -2.611 -6.398) 6.910 6.947 ( 0.000 23.907 -2.451) 24.033 7.168 ( -0.000 -0.556 10.846) 10.860 7.282 ( 0.000 19.287 0.200) 19.288 7.459 ( -0.000 -13.326 1.150) 13.376 8.993 ( 0.000 -3.531 -2.007) 4.061 9.736 ( -0.000 -1.885 -0.120) 1.889 10.473 ( -0.000 -5.817 0.908) 5.887 11.212 ( 0.000 -6.905 -1.783) 7.132 11.721 ( 0.000 -2.307 -1.845) 2.954 13.569 ( -0.000 -1.247 0.065) 1.249 13.885 ( 0.000 -2.218 -2.194) 3.120 13.947 ( -0.000 1.240 0.153) 1.249 14.267 ( 0.000 3.920 -0.297) 3.931 ======================= Grid point 1078 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.000 0.000 22.403) 22.403 1.447 ( -0.000 0.000 22.403) 22.403 2.769 ( -0.000 0.000 50.840) 50.840 3.068 ( 0.000 -0.000 -13.545) 13.545 3.068 ( 0.000 -0.000 -13.545) 13.545 4.306 ( -0.000 0.000 2.697) 2.697 4.306 ( -0.000 0.000 2.697) 2.697 4.988 ( 0.000 -0.000 -36.298) 36.298 6.973 ( -0.000 0.000 3.773) 3.773 7.422 ( -0.000 0.000 0.265) 0.265 8.478 ( -0.000 0.000 0.454) 0.454 8.478 ( -0.000 0.000 0.454) 0.454 8.840 ( 0.000 -0.000 -0.417) 0.417 9.955 ( 0.000 -0.000 -0.547) 0.547 9.955 ( 0.000 -0.000 -0.547) 0.547 11.614 ( -0.000 0.000 2.107) 2.107 12.734 ( 0.000 -0.000 -0.101) 0.101 13.637 ( -0.000 0.000 0.168) 0.168 13.637 ( -0.000 0.000 0.168) 0.168 13.784 ( -0.000 0.000 0.006) 0.006 13.784 ( -0.000 0.000 0.006) 0.006 ======================= Grid point 1079 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 11.386 6.574 16.101) 20.787 1.752 ( 17.726 10.234 14.224) 24.925 2.865 ( 0.498 0.288 28.363) 28.369 3.159 ( 9.933 5.735 -11.710) 16.392 3.418 ( 29.087 16.793 5.889) 34.099 4.342 ( 2.868 1.656 2.476) 4.135 4.384 ( 4.519 2.609 -2.748) 5.898 4.941 ( 7.337 4.236 -27.149) 28.440 6.780 ( -15.797 -9.121 7.198) 19.610 7.367 ( -4.152 -2.397 4.487) 6.566 8.041 ( -18.939 -10.935 -7.998) 23.286 8.412 ( -5.491 -3.170 0.514) 6.362 9.368 ( 20.335 11.740 -1.645) 23.538 9.944 ( 3.284 1.896 0.308) 3.804 9.947 ( -1.046 -0.604 -0.734) 1.413 11.603 ( -1.293 -0.746 1.901) 2.417 12.543 ( -14.114 -8.149 2.309) 16.460 13.640 ( 0.005 0.003 0.136) 0.136 13.676 ( 3.191 1.842 0.676) 3.746 13.794 ( 0.992 0.573 -0.049) 1.146 13.902 ( 8.024 4.633 -2.759) 9.667 ======================= Grid point 1080 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 14.644 8.455 7.571) 18.527 2.197 ( 17.632 10.180 6.227) 21.290 2.995 ( 3.750 2.165 20.000) 20.464 3.430 ( 16.505 9.529 -7.013) 20.307 4.217 ( 33.272 19.209 5.361) 38.791 4.446 ( 5.725 3.306 1.753) 6.840 4.464 ( 9.886 5.707 -7.878) 13.869 5.200 ( 19.376 11.187 -13.738) 26.255 6.438 ( -14.214 -8.207 4.982) 17.153 7.270 ( -6.611 -3.817 9.010) 11.810 7.673 ( -11.638 -6.719 -11.959) 17.989 8.244 ( -9.325 -5.384 0.103) 10.768 9.451 ( -6.489 -3.746 -1.082) 7.570 9.906 ( -2.334 -1.348 -0.566) 2.754 10.220 ( 15.468 8.931 1.322) 17.910 11.577 ( -1.552 -0.896 1.242) 2.180 12.202 ( -15.695 -9.062 1.769) 18.209 13.635 ( -0.483 -0.279 0.224) 0.601 13.797 ( 6.423 3.708 3.599) 8.244 13.827 ( 1.887 1.089 -0.220) 2.190 14.025 ( 3.680 2.125 -5.225) 6.735 ======================= Grid point 1081 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 12.334 7.121 1.950) 14.375 2.543 ( 12.008 6.933 0.377) 13.870 3.136 ( 4.049 2.338 13.268) 14.067 3.834 ( 20.381 11.767 -2.630) 23.681 4.433 ( 3.729 2.153 -5.702) 7.146 4.600 ( 7.297 4.213 0.938) 8.477 5.209 ( 34.770 20.075 3.353) 40.289 5.595 ( 18.323 10.579 -9.171) 23.060 6.280 ( 2.384 1.377 0.107) 2.755 7.127 ( -8.630 -4.983 12.521) 16.003 7.435 ( -6.681 -3.858 -11.649) 13.972 8.007 ( -11.589 -6.691 -0.535) 13.392 9.265 ( -8.528 -4.924 -0.498) 9.860 9.845 ( -2.859 -1.651 -0.223) 3.309 10.484 ( 6.979 4.029 2.142) 8.339 11.517 ( -4.780 -2.760 0.171) 5.522 11.906 ( -10.095 -5.828 2.192) 11.861 13.620 ( -0.966 -0.558 0.241) 1.142 13.873 ( 2.133 1.232 -0.333) 2.486 13.933 ( 3.151 1.819 1.853) 4.083 14.067 ( 2.900 1.675 -2.487) 4.171 ======================= Grid point 1082 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 8.627 4.981 -0.159) 9.963 2.737 ( 6.209 3.585 -4.784) 8.619 3.257 ( 3.680 2.125 9.235) 10.166 4.300 ( 21.012 12.131 -0.482) 24.267 4.508 ( 4.189 2.419 -4.401) 6.540 4.765 ( 7.005 4.045 0.497) 8.104 5.486 ( -1.799 -1.038 -2.811) 3.495 6.244 ( 33.312 19.233 1.607) 38.499 6.509 ( 12.550 7.246 -1.548) 14.574 7.033 ( 0.283 0.164 10.163) 10.169 7.280 ( -4.472 -2.582 -11.033) 12.181 7.733 ( -12.352 -7.131 -1.054) 14.302 9.095 ( -6.342 -3.661 0.650) 7.352 9.783 ( -2.518 -1.454 0.052) 2.908 10.550 ( -1.009 -0.583 0.578) 1.301 11.365 ( -7.818 -4.514 0.964) 9.079 11.772 ( -3.558 -2.054 2.583) 4.853 13.595 ( -1.202 -0.694 0.127) 1.394 13.916 ( 1.760 1.016 -0.308) 2.056 13.930 ( -1.974 -1.140 -0.525) 2.339 14.168 ( 4.986 2.879 1.154) 5.872 ======================= Grid point 1094 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -0.000 12.210 13.376) 18.111 1.785 ( -0.000 19.598 12.061) 23.011 2.970 ( -0.000 2.077 20.150) 20.256 3.080 ( 0.000 10.393 -7.645) 12.902 3.466 ( -0.000 34.192 8.399) 35.208 4.360 ( -0.000 3.698 1.230) 3.897 4.378 ( 0.000 5.336 -3.544) 6.406 4.828 ( 0.000 6.182 -22.968) 23.785 6.784 ( -0.000 -19.492 6.728) 20.621 7.375 ( -0.000 -4.338 3.929) 5.852 8.037 ( 0.000 -20.831 -7.566) 22.162 8.425 ( -0.000 -6.022 -0.280) 6.028 9.352 ( 0.000 22.139 -0.630) 22.148 9.930 ( -0.000 -1.718 0.260) 1.738 9.978 ( 0.000 7.084 -1.888) 7.331 11.607 ( -0.000 -1.689 1.657) 2.366 12.536 ( -0.000 -17.266 2.752) 17.484 13.638 ( -0.000 0.042 0.245) 0.249 13.729 ( 0.000 8.361 -3.261) 8.974 13.793 ( 0.000 0.955 0.006) 0.955 13.853 ( -0.000 4.891 1.036) 5.000 ======================= Grid point 1095 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 7.407 13.268 7.102) 16.773 2.106 ( 10.274 17.394 5.980) 21.068 3.049 ( 0.518 4.138 15.154) 15.717 3.308 ( 11.354 16.180 -5.028) 20.396 4.023 ( 18.922 35.894 7.970) 41.351 4.397 ( 1.185 3.231 -10.684) 11.225 4.450 ( 4.043 8.511 0.634) 9.444 4.996 ( 13.073 14.332 -8.941) 21.360 6.524 ( -8.951 -18.074 5.353) 20.867 7.325 ( -2.564 -4.829 6.387) 8.407 7.728 ( -9.778 -13.503 -10.206) 19.547 8.334 ( -3.819 -5.582 -0.235) 6.767 9.453 ( -2.011 -4.741 -0.377) 5.164 9.863 ( -2.348 -4.396 0.050) 4.984 10.209 ( 9.373 20.197 -1.397) 22.310 11.589 ( -0.586 -1.443 1.269) 2.009 12.286 ( -9.089 -17.160 1.960) 19.517 13.684 ( 2.157 -0.712 0.295) 2.290 13.715 ( -1.020 5.385 0.120) 5.482 13.860 ( 0.752 4.789 1.824) 5.179 13.955 ( 5.126 2.982 -3.600) 6.937 ======================= Grid point 1096 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 9.758 10.794 2.138) 14.707 2.435 ( 10.210 10.644 1.496) 14.825 3.151 ( 2.270 3.765 9.751) 10.696 3.702 ( 14.517 20.970 -2.266) 25.605 4.387 ( 2.833 3.104 -3.741) 5.626 4.558 ( 6.868 9.530 0.505) 11.758 4.922 ( 28.239 33.387 2.154) 43.781 5.403 ( 17.301 17.050 -7.017) 25.284 6.253 ( -4.719 -10.642 1.418) 11.727 7.227 ( -5.882 -6.399 10.057) 13.293 7.440 ( -6.553 -10.059 -10.429) 15.902 8.183 ( -10.091 -1.292 -0.029) 10.174 9.281 ( -5.210 -12.636 -0.426) 13.675 9.782 ( -0.250 -8.009 0.047) 8.013 10.531 ( 5.141 17.248 0.807) 18.016 11.563 ( -2.145 -0.871 0.335) 2.339 11.964 ( -9.387 -15.197 1.029) 17.892 13.670 ( -2.418 2.592 0.041) 3.545 13.800 ( 3.802 -0.849 0.061) 3.896 13.938 ( 2.479 4.678 4.537) 6.972 14.025 ( 2.741 1.851 -5.157) 6.126 ======================= Grid point 1097 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 8.456 7.503 -0.025) 11.305 2.647 ( 6.701 4.254 -2.703) 8.385 3.255 ( 2.949 3.635 5.956) 7.575 4.162 ( 15.322 21.502 -0.379) 26.405 4.461 ( 3.564 3.867 -2.736) 5.928 4.756 ( 4.571 11.292 0.805) 12.208 5.512 ( 3.348 9.768 -1.207) 10.396 5.910 ( 29.182 23.883 -2.604) 37.798 6.305 ( 15.708 3.587 -0.609) 16.124 7.078 ( -6.275 -7.606 11.803) 15.380 7.246 ( -2.699 -8.235 -11.106) 14.087 7.974 ( -15.534 2.912 0.142) 15.805 9.085 ( -2.258 -13.435 0.106) 13.624 9.698 ( 1.029 -10.566 0.080) 10.617 10.691 ( -3.972 13.012 0.870) 13.633 11.468 ( -7.639 -2.135 -0.143) 7.933 11.744 ( -1.036 -11.661 2.129) 11.899 13.654 ( -3.240 3.438 0.169) 4.727 13.819 ( 2.784 -4.506 -0.793) 5.356 14.001 ( -1.305 3.254 0.422) 3.531 14.108 ( 5.593 2.761 0.103) 6.239 ======================= Grid point 1110 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -0.000 14.831 4.031) 15.369 2.220 ( -0.000 18.569 3.792) 18.952 3.127 ( -0.000 4.090 7.897) 8.893 3.366 ( 0.000 20.552 -0.716) 20.565 4.316 ( -0.000 42.749 5.394) 43.088 4.394 ( 0.000 7.379 -12.377) 14.409 4.462 ( 0.000 6.442 0.046) 6.442 5.049 ( -0.000 20.538 1.843) 20.621 6.437 ( -0.000 -17.261 4.796) 17.915 7.318 ( -0.000 -4.787 5.897) 7.595 7.646 ( 0.000 -14.617 -10.785) 18.165 8.251 ( -0.000 -11.173 -0.606) 11.190 9.438 ( -0.000 -6.877 0.272) 6.882 9.893 ( -0.000 -2.524 0.762) 2.636 10.272 ( 0.000 18.617 -4.020) 19.046 11.577 ( -0.000 -2.272 1.194) 2.567 12.201 ( -0.000 -17.397 1.910) 17.501 13.637 ( -0.000 -0.398 0.072) 0.404 13.822 ( -0.000 1.938 0.264) 1.956 13.865 ( 0.000 6.742 -2.644) 7.242 13.954 ( -0.000 4.586 1.528) 4.834 ======================= Grid point 1111 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 4.495 13.393 1.399) 14.196 2.433 ( 4.473 13.227 1.910) 14.093 3.185 ( 0.760 4.194 2.715) 5.053 3.692 ( 11.762 23.358 -0.042) 26.152 4.382 ( 0.382 3.285 -2.950) 4.432 4.566 ( 4.452 11.073 -1.146) 11.989 4.934 ( 14.212 42.279 -0.337) 44.605 5.352 ( 9.581 21.554 3.927) 23.913 6.253 ( -6.141 -9.449 1.545) 11.375 7.265 ( -2.574 -5.459 4.967) 7.816 7.411 ( -6.675 -13.054 -7.203) 16.335 8.186 ( 3.803 -9.316 -0.565) 10.078 9.279 ( -8.229 -10.740 0.011) 13.530 9.782 ( -6.610 -4.210 0.184) 7.839 10.544 ( 10.993 13.425 -1.932) 17.459 11.561 ( 0.534 -2.589 0.793) 2.759 11.968 ( -8.479 -15.090 0.081) 17.309 13.669 ( 3.384 -0.689 0.130) 3.456 13.800 ( -2.624 2.339 0.099) 3.516 13.959 ( 2.835 3.344 2.528) 5.060 14.002 ( 0.459 4.748 -2.635) 5.450 ======================= Grid point 1112 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 5.834 10.104 -0.000) 11.668 2.604 ( 3.670 6.356 -0.000) 7.340 3.258 ( 2.490 4.313 0.000) 4.980 4.149 ( 13.652 23.645 -0.000) 27.303 4.447 ( 3.098 5.366 -0.000) 6.196 4.783 ( 7.107 12.311 0.000) 14.215 5.534 ( 13.584 23.528 -0.000) 27.168 5.770 ( 12.523 21.691 -0.000) 25.047 6.162 ( 3.609 6.251 -0.000) 7.218 7.155 ( -4.026 -6.974 0.000) 8.053 7.168 ( -6.402 -11.088 -0.000) 12.803 8.161 ( -1.175 -2.035 -0.000) 2.350 8.999 ( -8.596 -14.889 -0.000) 17.193 9.635 ( -4.148 -7.185 -0.000) 8.296 10.810 ( 6.044 10.469 -0.000) 12.088 11.548 ( -0.637 -1.104 -0.000) 1.275 11.663 ( -8.728 -15.117 -0.000) 17.456 13.714 ( 1.113 1.927 -0.000) 2.226 13.767 ( -1.533 -2.656 -0.000) 3.067 14.032 ( 1.222 2.116 -0.000) 2.444 14.062 ( 2.740 4.745 0.000) 5.479 ======================= Grid point 1126 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 0.000 13.421 0.631) 13.436 2.533 ( -0.000 12.080 2.277) 12.293 3.217 ( 0.000 4.140 -3.529) 5.440 3.816 ( 0.000 24.531 1.230) 24.562 4.409 ( 0.000 3.866 -1.056) 4.008 4.606 ( 0.000 8.252 -0.418) 8.263 5.237 ( 0.000 38.246 -2.694) 38.341 5.512 ( -0.000 24.683 8.826) 26.214 6.273 ( -0.000 1.555 1.533) 2.183 7.227 ( 0.000 -7.672 -5.574) 9.483 7.353 ( -0.000 -9.752 2.596) 10.092 8.004 ( -0.000 -13.745 0.099) 13.745 9.263 ( -0.000 -9.495 -0.197) 9.497 9.841 ( -0.000 -3.097 0.466) 3.132 10.507 ( 0.000 7.468 -2.764) 7.963 11.515 ( -0.000 -5.476 0.548) 5.503 11.922 ( 0.000 -10.827 -1.177) 10.891 13.622 ( 0.000 -1.109 -0.178) 1.123 13.869 ( -0.000 2.439 0.500) 2.490 13.938 ( -0.000 1.232 0.926) 1.541 14.058 ( 0.000 5.957 -0.702) 5.998 ======================= Grid point 1300 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -0.000 0.000 13.202) 13.202 1.615 ( -0.000 0.000 13.202) 13.202 2.961 ( 0.000 -0.000 -8.762) 8.762 2.961 ( 0.000 -0.000 -8.762) 8.762 3.183 ( -0.000 0.000 36.702) 36.702 4.325 ( -0.000 0.000 1.389) 1.389 4.325 ( -0.000 0.000 1.389) 1.389 4.675 ( 0.000 -0.000 -29.414) 29.414 6.999 ( -0.000 0.000 1.856) 1.856 7.423 ( -0.000 0.000 0.148) 0.148 8.482 ( -0.000 0.000 0.253) 0.253 8.482 ( -0.000 0.000 0.253) 0.253 8.837 ( 0.000 -0.000 -0.238) 0.238 9.951 ( 0.000 -0.000 -0.305) 0.305 9.951 ( 0.000 -0.000 -0.305) 0.305 11.630 ( -0.000 0.000 1.171) 1.171 12.733 ( 0.000 -0.000 -0.061) 0.061 13.639 ( -0.000 0.000 0.094) 0.094 13.639 ( -0.000 0.000 0.094) 0.094 13.784 ( -0.000 0.000 0.003) 0.003 13.784 ( -0.000 0.000 0.003) 0.003 ======================= Grid point 1301 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 9.350 5.398 7.857) 13.352 1.847 ( 15.259 8.810 6.095) 18.644 3.022 ( 4.372 2.524 7.499) 9.040 3.070 ( 10.707 6.182 -6.911) 14.164 3.535 ( 24.367 14.068 14.828) 31.805 4.339 ( 0.822 0.475 -5.981) 6.056 4.359 ( 2.871 1.658 1.275) 3.552 4.739 ( 12.810 7.396 -14.469) 20.692 6.823 ( -14.774 -8.530 2.293) 17.213 7.398 ( -2.226 -1.285 1.927) 3.212 7.990 ( -21.905 -12.647 -2.918) 25.461 8.417 ( -5.521 -3.187 0.540) 6.398 9.356 ( 19.785 11.423 -0.909) 22.864 9.940 ( -1.095 -0.632 -0.707) 1.449 9.951 ( 3.875 2.237 0.997) 4.585 11.615 ( -1.310 -0.756 0.798) 1.710 12.556 ( -13.746 -7.936 0.479) 15.879 13.641 ( 0.037 0.021 0.001) 0.042 13.686 ( 4.425 2.555 1.506) 5.326 13.794 ( 0.932 0.538 -0.043) 1.077 13.881 ( 6.356 3.669 -1.979) 7.601 ======================= Grid point 1302 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 12.863 7.426 2.183) 15.012 2.231 ( 16.236 9.374 1.295) 18.792 3.128 ( 3.005 1.735 7.707) 8.452 3.379 ( 17.793 10.273 -3.653) 20.868 4.286 ( 25.326 14.622 9.616) 30.784 4.386 ( 17.240 9.954 -8.334) 21.581 4.459 ( 5.568 3.215 0.880) 6.490 5.096 ( 20.071 11.588 -8.387) 24.647 6.460 ( -15.065 -8.698 -0.179) 17.396 7.335 ( -4.210 -2.431 3.365) 5.913 7.600 ( -13.196 -7.619 -2.176) 15.392 8.247 ( -9.561 -5.520 0.392) 11.047 9.443 ( -6.216 -3.589 -0.749) 7.217 9.900 ( -2.217 -1.280 -0.735) 2.663 10.240 ( 15.820 9.134 2.851) 18.489 11.583 ( -1.799 -1.039 0.045) 2.078 12.210 ( -15.533 -8.968 -0.071) 17.937 13.637 ( -0.422 -0.244 0.087) 0.495 13.825 ( 1.802 1.040 -0.271) 2.098 13.832 ( 6.768 3.907 3.903) 8.735 13.982 ( 3.371 1.946 -4.098) 5.652 ======================= Grid point 1316 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -0.000 10.441 3.186) 10.916 1.859 ( -0.000 17.292 3.586) 17.660 3.040 ( 0.000 12.029 -0.680) 12.049 3.050 ( -0.000 7.199 0.740) 7.237 3.576 ( -0.000 26.699 8.314) 27.963 4.327 ( 0.000 0.574 -4.825) 4.859 4.365 ( 0.000 3.447 -0.008) 3.447 4.694 ( 0.000 14.502 -4.781) 15.270 6.824 ( -0.000 -17.503 2.060) 17.623 7.400 ( -0.000 -2.431 1.406) 2.808 7.989 ( 0.000 -24.910 -2.597) 25.045 8.422 ( -0.000 -6.262 -0.458) 6.278 9.351 ( 0.000 22.368 0.244) 22.370 9.934 ( -0.000 -1.447 0.539) 1.544 9.962 ( 0.000 5.607 -1.505) 5.805 11.617 ( -0.000 -1.579 0.477) 1.649 12.553 ( -0.000 -16.199 1.058) 16.234 13.640 ( -0.000 0.056 0.135) 0.146 13.703 ( 0.000 6.698 -2.322) 7.089 13.794 ( 0.000 1.008 0.027) 1.008 13.865 ( -0.000 5.868 1.480) 6.052 ======================= Grid point 1317 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 7.001 12.127 0.000) 14.003 2.134 ( 9.665 16.740 -0.000) 19.329 3.121 ( 1.853 3.210 -0.000) 3.707 3.284 ( 10.305 17.849 -0.000) 20.610 4.078 ( 20.167 34.931 0.000) 40.335 4.328 ( 0.850 1.471 -0.000) 1.699 4.453 ( 4.556 7.892 -0.000) 9.113 4.954 ( 10.684 18.505 -0.000) 21.368 6.548 ( -10.187 -17.644 -0.000) 20.374 7.359 ( -1.981 -3.430 -0.000) 3.961 7.676 ( -9.089 -15.742 -0.000) 18.177 8.333 ( -3.433 -5.946 -0.000) 6.866 9.451 ( -2.497 -4.325 -0.000) 4.994 9.863 ( -2.476 -4.289 -0.000) 4.953 10.202 ( 11.025 19.095 -0.000) 22.049 11.595 ( -0.776 -1.344 -0.000) 1.551 12.295 ( -9.752 -16.891 -0.000) 19.504 13.686 ( 0.072 0.125 -0.000) 0.145 13.715 ( 2.310 4.000 0.000) 4.619 13.870 ( 2.990 5.179 -0.000) 5.980 13.936 ( 1.850 3.204 0.000) 3.700 ======================= Grid point 1527 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.000 -0.000 -0.000) 0.000 1.678 ( 0.000 -0.000 -0.000) 0.000 2.919 ( -0.000 0.000 0.000) 0.000 2.919 ( -0.000 0.000 0.000) 0.000 3.373 ( 0.000 -0.000 -0.000) 0.000 4.332 ( -0.000 0.000 0.000) 0.000 4.332 ( -0.000 0.000 0.000) 0.000 4.518 ( -0.000 0.000 0.000) 0.000 7.007 ( -0.000 0.000 0.000) 0.000 7.424 ( -0.000 0.000 0.000) 0.000 8.483 ( -0.000 0.000 0.000) 0.000 8.483 ( -0.000 0.000 0.000) 0.000 8.836 ( -0.000 0.000 0.000) 0.000 9.949 ( -0.000 0.000 0.000) 0.000 9.949 ( -0.000 0.000 0.000) 0.000 11.635 ( -0.000 0.000 0.000) 0.000 12.733 ( -0.000 0.000 0.000) 0.000 13.639 ( -0.000 0.000 0.000) 0.000 13.639 ( -0.000 0.000 0.000) 0.000 13.784 ( -0.000 0.000 0.000) 0.000 13.784 ( -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 3/57624 10.0 1589.956 1589.956 20805.701 0.000 -0.000 0.000 3/57624 20.0 755.971 755.971 1163.750 0.000 -0.000 0.000 3/57624 30.0 254.891 254.891 306.109 0.000 -0.000 0.000 3/57624 40.0 103.508 103.508 117.257 0.000 -0.000 0.000 3/57624 50.0 55.241 55.241 60.432 0.000 -0.000 0.000 3/57624 60.0 35.724 35.724 37.617 0.000 -0.000 0.000 3/57624 70.0 26.064 26.064 26.319 0.000 -0.000 0.000 3/57624 80.0 20.503 20.503 19.865 0.000 -0.000 0.000 3/57624 90.0 16.931 16.931 15.794 0.000 -0.000 0.000 3/57624 100.0 14.451 14.451 13.035 0.000 -0.000 0.000 3/57624 110.0 12.626 12.626 11.062 0.000 -0.000 0.000 3/57624 120.0 11.227 11.227 9.592 0.000 -0.000 0.000 3/57624 130.0 10.118 10.118 8.461 0.000 -0.000 0.000 3/57624 140.0 9.217 9.217 7.566 0.000 -0.000 0.000 3/57624 150.0 8.470 8.470 6.842 0.000 -0.000 0.000 3/57624 160.0 7.839 7.839 6.246 0.000 -0.000 0.000 3/57624 170.0 7.300 7.300 5.746 0.000 -0.000 0.000 3/57624 180.0 6.834 6.834 5.322 0.000 -0.000 0.000 3/57624 190.0 6.426 6.426 4.958 0.000 -0.000 0.000 3/57624 200.0 6.066 6.066 4.642 0.000 -0.000 0.000 3/57624 210.0 5.746 5.746 4.365 0.000 -0.000 0.000 3/57624 220.0 5.459 5.459 4.120 0.000 -0.000 0.000 3/57624 230.0 5.200 5.200 3.903 0.000 -0.000 0.000 3/57624 240.0 4.966 4.966 3.708 0.000 -0.000 0.000 3/57624 250.0 4.753 4.753 3.532 0.000 -0.000 0.000 3/57624 260.0 4.558 4.558 3.373 0.000 -0.000 0.000 3/57624 270.0 4.379 4.379 3.228 0.000 -0.000 0.000 3/57624 280.0 4.214 4.214 3.095 0.000 -0.000 0.000 3/57624 290.0 4.061 4.061 2.973 0.000 -0.000 0.000 3/57624 300.0 3.919 3.919 2.861 0.000 -0.000 0.000 3/57624 310.0 3.787 3.787 2.757 0.000 -0.000 0.000 3/57624 320.0 3.664 3.664 2.661 0.000 -0.000 0.000 3/57624 330.0 3.549 3.549 2.572 0.000 -0.000 0.000 3/57624 340.0 3.441 3.441 2.488 0.000 -0.000 0.000 3/57624 350.0 3.340 3.340 2.410 0.000 -0.000 0.000 3/57624 360.0 3.244 3.244 2.337 0.000 -0.000 0.000 3/57624 370.0 3.154 3.154 2.269 0.000 -0.000 0.000 3/57624 380.0 3.069 3.069 2.204 0.000 -0.000 0.000 3/57624 390.0 2.989 2.989 2.143 0.000 -0.000 0.000 3/57624 400.0 2.913 2.913 2.086 0.000 -0.000 0.000 3/57624 410.0 2.840 2.840 2.031 0.000 -0.000 0.000 3/57624 420.0 2.771 2.771 1.980 0.000 -0.000 0.000 3/57624 430.0 2.706 2.706 1.931 0.000 -0.000 0.000 3/57624 440.0 2.643 2.643 1.884 0.000 -0.000 0.000 3/57624 450.0 2.584 2.584 1.840 0.000 -0.000 0.000 3/57624 460.0 2.527 2.527 1.798 0.000 -0.000 0.000 3/57624 470.0 2.472 2.472 1.757 0.000 -0.000 0.000 3/57624 480.0 2.420 2.420 1.719 0.000 -0.000 0.000 3/57624 490.0 2.370 2.370 1.682 0.000 -0.000 0.000 3/57624 500.0 2.322 2.322 1.647 0.000 -0.000 0.000 3/57624 510.0 2.276 2.276 1.613 0.000 -0.000 0.000 3/57624 520.0 2.232 2.232 1.581 0.000 -0.000 0.000 3/57624 530.0 2.190 2.190 1.550 0.000 -0.000 0.000 3/57624 540.0 2.149 2.149 1.520 0.000 -0.000 0.000 3/57624 550.0 2.110 2.110 1.491 0.000 -0.000 0.000 3/57624 560.0 2.072 2.072 1.464 0.000 -0.000 0.000 3/57624 570.0 2.035 2.035 1.437 0.000 -0.000 0.000 3/57624 580.0 2.000 2.000 1.412 0.000 -0.000 0.000 3/57624 590.0 1.966 1.966 1.387 0.000 -0.000 0.000 3/57624 600.0 1.933 1.933 1.363 0.000 -0.000 0.000 3/57624 610.0 1.901 1.901 1.340 0.000 -0.000 0.000 3/57624 620.0 1.870 1.870 1.318 0.000 -0.000 0.000 3/57624 630.0 1.841 1.841 1.296 0.000 -0.000 0.000 3/57624 640.0 1.812 1.812 1.275 0.000 -0.000 0.000 3/57624 650.0 1.784 1.784 1.255 0.000 -0.000 0.000 3/57624 660.0 1.757 1.757 1.236 0.000 -0.000 0.000 3/57624 670.0 1.730 1.730 1.217 0.000 -0.000 0.000 3/57624 680.0 1.705 1.705 1.199 0.000 -0.000 0.000 3/57624 690.0 1.680 1.680 1.181 0.000 -0.000 0.000 3/57624 700.0 1.656 1.656 1.164 0.000 -0.000 0.000 3/57624 710.0 1.633 1.633 1.147 0.000 -0.000 0.000 3/57624 720.0 1.610 1.610 1.131 0.000 -0.000 0.000 3/57624 730.0 1.588 1.588 1.115 0.000 -0.000 0.000 3/57624 740.0 1.567 1.567 1.100 0.000 -0.000 0.000 3/57624 750.0 1.546 1.546 1.085 0.000 -0.000 0.000 3/57624 760.0 1.525 1.525 1.070 0.000 -0.000 0.000 3/57624 770.0 1.506 1.506 1.056 0.000 -0.000 0.000 3/57624 780.0 1.486 1.486 1.042 0.000 -0.000 0.000 3/57624 790.0 1.467 1.467 1.029 0.000 -0.000 0.000 3/57624 800.0 1.449 1.449 1.016 0.000 -0.000 0.000 3/57624 810.0 1.431 1.431 1.003 0.000 -0.000 0.000 3/57624 820.0 1.414 1.414 0.991 0.000 -0.000 0.000 3/57624 830.0 1.397 1.397 0.978 0.000 -0.000 0.000 3/57624 840.0 1.380 1.380 0.967 0.000 -0.000 0.000 3/57624 850.0 1.364 1.364 0.955 0.000 -0.000 0.000 3/57624 860.0 1.348 1.348 0.944 0.000 -0.000 0.000 3/57624 870.0 1.333 1.333 0.933 0.000 -0.000 0.000 3/57624 880.0 1.318 1.318 0.922 0.000 -0.000 0.000 3/57624 890.0 1.303 1.303 0.912 0.000 -0.000 0.000 3/57624 900.0 1.288 1.288 0.901 0.000 -0.000 0.000 3/57624 910.0 1.274 1.274 0.891 0.000 -0.000 0.000 3/57624 920.0 1.260 1.260 0.882 0.000 -0.000 0.000 3/57624 930.0 1.247 1.247 0.872 0.000 -0.000 0.000 3/57624 940.0 1.234 1.234 0.863 0.000 -0.000 0.000 3/57624 950.0 1.221 1.221 0.853 0.000 -0.000 0.000 3/57624 960.0 1.208 1.208 0.844 0.000 -0.000 0.000 3/57624 970.0 1.196 1.196 0.836 0.000 -0.000 0.000 3/57624 980.0 1.183 1.183 0.827 0.000 -0.000 0.000 3/57624 990.0 1.171 1.171 0.819 0.000 -0.000 0.000 3/57624 1000.0 1.160 1.160 0.810 0.000 -0.000 0.000 3/57624 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:50:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|