----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:16:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.811663134650801 2.778015006040432 3.661997253333328 b -4.811663134650792 2.778015006040432 3.661997253333328 c 0.000000000000005 -5.556030012080874 3.661997253333328 Atomic positions (fractional): *1 O 0.79192113543877 0.59815751367481 0.46533788211210 15.999 2 O 0.59815751367481 0.46533788211210 0.79192113543877 15.999 3 O 0.46533788211210 0.79192113543878 0.59815751367481 15.999 4 O 0.03466211788790 0.90184248632519 0.70807886456123 15.999 5 O 0.90184248632519 0.70807886456123 0.03466211788790 15.999 6 O 0.70807886456123 0.03466211788790 0.90184248632519 15.999 7 O 0.20807886456123 0.40184248632519 0.53466211788790 15.999 8 O 0.40184248632519 0.53466211788790 0.20807886456123 15.999 9 O 0.53466211788790 0.20807886456123 0.40184248632519 15.999 10 O 0.96533788211210 0.09815751367481 0.29192113543877 15.999 11 O 0.29192113543877 0.96533788211210 0.09815751367481 15.999 12 O 0.09815751367481 0.29192113543877 0.96533788211210 15.999 *13 Sc 0.75000000000000 0.75000000000000 0.75000000000000 44.956 14 Sc 0.25000000000000 0.25000000000000 0.25000000000000 44.956 *15 Sr 0.11932429298006 0.75000000000000 0.38067570701994 87.620 16 Sr 0.75000000000000 0.38067570701994 0.11932429298006 87.620 17 Sr 0.38067570701994 0.11932429298007 0.75000000000000 87.620 18 Sr 0.88067570701994 0.25000000000000 0.61932429298006 87.620 19 Sr 0.25000000000000 0.61932429298006 0.88067570701994 87.620 20 Sr 0.61932429298006 0.88067570701994 0.25000000000000 87.620 *21 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 22 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.623326269301593 0.000000000000000 0.000000000000000 b -4.811663134650797 8.334045018121307 0.000000000000000 c 0.000000000000000 0.000000000000000 10.985991759999997 Atomic positions (fractional): *1 O 0.17344895836355 0.15313429496313 0.61847217707523 15.999 > 1 2 O 0.97968533659958 0.82655104163645 0.61847217707523 15.999 > 2 3 O 0.84686570503687 0.02031466340042 0.61847217707523 15.999 > 3 4 O 0.48646762829646 0.84011562503021 0.54819448959144 15.999 > 4 5 O 0.35364799673375 0.51353237170354 0.54819448959144 15.999 > 5 6 O 0.15988437496979 0.64635200326625 0.54819448959144 15.999 > 6 7 O 0.82655104163645 0.84686570503687 0.38152782292477 15.999 > 7 8 O 0.02031466340042 0.17344895836355 0.38152782292477 15.999 > 8 9 O 0.15313429496313 0.97968533659958 0.38152782292477 15.999 > 9 10 O 0.51353237170354 0.15988437496979 0.45180551040856 15.999 > 10 11 O 0.84011562503021 0.35364799673375 0.45180551040856 15.999 > 11 12 O 0.64635200326625 0.48646762829646 0.45180551040856 15.999 > 12 13 O 0.84011562503021 0.48646762829646 0.95180551040856 15.999 > 1 14 O 0.64635200326625 0.15988437496979 0.95180551040856 15.999 > 2 15 O 0.51353237170354 0.35364799673375 0.95180551040856 15.999 > 3 16 O 0.15313429496313 0.17344895836355 0.88152782292477 15.999 > 4 17 O 0.02031466340042 0.84686570503687 0.88152782292477 15.999 > 5 18 O 0.82655104163645 0.97968533659958 0.88152782292477 15.999 > 6 19 O 0.49321770830312 0.18019903837020 0.71486115625811 15.999 > 7 20 O 0.68698133006708 0.50678229169688 0.71486115625811 15.999 > 8 21 O 0.81980096162980 0.31301866993291 0.71486115625811 15.999 > 9 22 O 0.18019903837020 0.49321770830312 0.78513884374189 15.999 > 10 23 O 0.50678229169688 0.68698133006708 0.78513884374189 15.999 > 11 24 O 0.31301866993291 0.81980096162980 0.78513884374189 15.999 > 12 25 O 0.50678229169688 0.81980096162980 0.28513884374189 15.999 > 1 26 O 0.31301866993291 0.49321770830312 0.28513884374189 15.999 > 2 27 O 0.18019903837020 0.68698133006708 0.28513884374189 15.999 > 3 28 O 0.81980096162980 0.50678229169688 0.21486115625811 15.999 > 4 29 O 0.68698133006708 0.18019903837020 0.21486115625811 15.999 > 5 30 O 0.49321770830312 0.31301866993291 0.21486115625811 15.999 > 6 31 O 0.15988437496979 0.51353237170354 0.04819448959144 15.999 > 7 32 O 0.35364799673375 0.84011562503021 0.04819448959144 15.999 > 8 33 O 0.48646762829646 0.64635200326625 0.04819448959144 15.999 > 9 34 O 0.84686570503687 0.82655104163645 0.11847217707523 15.999 > 10 35 O 0.17344895836355 0.02031466340042 0.11847217707523 15.999 > 11 36 O 0.97968533659958 0.15313429496313 0.11847217707523 15.999 > 12 *37 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 13 38 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 14 39 Sc 0.66666666666667 0.33333333333333 0.08333333333333 44.956 > 13 40 Sc 0.66666666666667 0.33333333333333 0.58333333333333 44.956 > 14 41 Sc 0.33333333333333 0.66666666666667 0.41666666666667 44.956 > 13 42 Sc 0.33333333333333 0.66666666666667 0.91666666666667 44.956 > 14 *43 Sr 0.70265762631340 0.03599095964673 0.41666666666667 87.620 > 15 44 Sr 0.33333333333333 0.29734237368660 0.41666666666667 87.620 > 16 45 Sr 0.96400904035327 0.66666666666667 0.41666666666667 87.620 > 17 46 Sr 0.29734237368660 0.96400904035327 0.58333333333333 87.620 > 18 47 Sr 0.66666666666667 0.70265762631340 0.58333333333333 87.620 > 19 48 Sr 0.03599095964673 0.33333333333333 0.58333333333333 87.620 > 20 49 Sr 0.36932429298006 0.36932429298006 0.75000000000000 87.620 > 15 50 Sr 0.00000000000000 0.63067570701994 0.75000000000000 87.620 > 16 51 Sr 0.63067570701994 0.00000000000000 0.75000000000000 87.620 > 17 52 Sr 0.96400904035327 0.29734237368660 0.91666666666667 87.620 > 18 53 Sr 0.33333333333333 0.03599095964673 0.91666666666667 87.620 > 19 54 Sr 0.70265762631340 0.66666666666667 0.91666666666667 87.620 > 20 55 Sr 0.03599095964673 0.70265762631340 0.08333333333333 87.620 > 15 56 Sr 0.66666666666667 0.96400904035327 0.08333333333333 87.620 > 16 57 Sr 0.29734237368660 0.33333333333333 0.08333333333333 87.620 > 17 58 Sr 0.63067570701994 0.63067570701994 0.25000000000000 87.620 > 18 59 Sr 0.00000000000000 0.36932429298006 0.25000000000000 87.620 > 19 60 Sr 0.36932429298006 0.00000000000000 0.25000000000000 87.620 > 20 *61 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 21 62 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 22 63 Rh 0.66666666666667 0.33333333333333 0.83333333333333 102.906 > 21 64 Rh 0.66666666666667 0.33333333333333 0.33333333333333 102.906 > 22 65 Rh 0.33333333333333 0.66666666666667 0.16666666666667 102.906 > 21 66 Rh 0.33333333333333 0.66666666666667 0.66666666666667 102.906 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.623326269301593 0.000000000000000 0.000000000000000 b -4.811663134650797 8.334045018121307 0.000000000000000 c 0.000000000000000 0.000000000000000 10.985991759999997 Atomic positions (fractional): *1 O 0.17344895836355 0.15313429496313 0.61847217707523 15.999 > 1 2 O 0.97968533659958 0.82655104163645 0.61847217707523 15.999 > 2 3 O 0.84686570503687 0.02031466340042 0.61847217707523 15.999 > 3 4 O 0.48646762829646 0.84011562503021 0.54819448959144 15.999 > 4 5 O 0.35364799673375 0.51353237170354 0.54819448959144 15.999 > 5 6 O 0.15988437496979 0.64635200326625 0.54819448959144 15.999 > 6 7 O 0.82655104163645 0.84686570503687 0.38152782292477 15.999 > 7 8 O 0.02031466340042 0.17344895836355 0.38152782292477 15.999 > 8 9 O 0.15313429496313 0.97968533659958 0.38152782292477 15.999 > 9 10 O 0.51353237170354 0.15988437496979 0.45180551040856 15.999 > 10 11 O 0.84011562503021 0.35364799673375 0.45180551040856 15.999 > 11 12 O 0.64635200326625 0.48646762829646 0.45180551040856 15.999 > 12 13 O 0.84011562503021 0.48646762829646 0.95180551040856 15.999 > 1 14 O 0.64635200326625 0.15988437496979 0.95180551040856 15.999 > 2 15 O 0.51353237170354 0.35364799673375 0.95180551040856 15.999 > 3 16 O 0.15313429496313 0.17344895836355 0.88152782292477 15.999 > 4 17 O 0.02031466340042 0.84686570503687 0.88152782292477 15.999 > 5 18 O 0.82655104163645 0.97968533659958 0.88152782292477 15.999 > 6 19 O 0.49321770830312 0.18019903837020 0.71486115625811 15.999 > 7 20 O 0.68698133006708 0.50678229169688 0.71486115625811 15.999 > 8 21 O 0.81980096162980 0.31301866993291 0.71486115625811 15.999 > 9 22 O 0.18019903837020 0.49321770830312 0.78513884374189 15.999 > 10 23 O 0.50678229169688 0.68698133006708 0.78513884374189 15.999 > 11 24 O 0.31301866993291 0.81980096162980 0.78513884374189 15.999 > 12 25 O 0.50678229169688 0.81980096162980 0.28513884374189 15.999 > 1 26 O 0.31301866993291 0.49321770830312 0.28513884374189 15.999 > 2 27 O 0.18019903837020 0.68698133006708 0.28513884374189 15.999 > 3 28 O 0.81980096162980 0.50678229169688 0.21486115625811 15.999 > 4 29 O 0.68698133006708 0.18019903837020 0.21486115625811 15.999 > 5 30 O 0.49321770830312 0.31301866993291 0.21486115625811 15.999 > 6 31 O 0.15988437496979 0.51353237170354 0.04819448959144 15.999 > 7 32 O 0.35364799673375 0.84011562503021 0.04819448959144 15.999 > 8 33 O 0.48646762829646 0.64635200326625 0.04819448959144 15.999 > 9 34 O 0.84686570503687 0.82655104163645 0.11847217707523 15.999 > 10 35 O 0.17344895836355 0.02031466340042 0.11847217707523 15.999 > 11 36 O 0.97968533659958 0.15313429496313 0.11847217707523 15.999 > 12 *37 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 13 38 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 14 39 Sc 0.66666666666667 0.33333333333333 0.08333333333333 44.956 > 13 40 Sc 0.66666666666667 0.33333333333333 0.58333333333333 44.956 > 14 41 Sc 0.33333333333333 0.66666666666667 0.41666666666667 44.956 > 13 42 Sc 0.33333333333333 0.66666666666667 0.91666666666667 44.956 > 14 *43 Sr 0.70265762631340 0.03599095964673 0.41666666666667 87.620 > 15 44 Sr 0.33333333333333 0.29734237368660 0.41666666666667 87.620 > 16 45 Sr 0.96400904035327 0.66666666666667 0.41666666666667 87.620 > 17 46 Sr 0.29734237368660 0.96400904035327 0.58333333333333 87.620 > 18 47 Sr 0.66666666666667 0.70265762631340 0.58333333333333 87.620 > 19 48 Sr 0.03599095964673 0.33333333333333 0.58333333333333 87.620 > 20 49 Sr 0.36932429298006 0.36932429298006 0.75000000000000 87.620 > 15 50 Sr 0.00000000000000 0.63067570701994 0.75000000000000 87.620 > 16 51 Sr 0.63067570701994 0.00000000000000 0.75000000000000 87.620 > 17 52 Sr 0.96400904035327 0.29734237368660 0.91666666666667 87.620 > 18 53 Sr 0.33333333333333 0.03599095964673 0.91666666666667 87.620 > 19 54 Sr 0.70265762631340 0.66666666666667 0.91666666666667 87.620 > 20 55 Sr 0.03599095964673 0.70265762631340 0.08333333333333 87.620 > 15 56 Sr 0.66666666666667 0.96400904035327 0.08333333333333 87.620 > 16 57 Sr 0.29734237368660 0.33333333333333 0.08333333333333 87.620 > 17 58 Sr 0.63067570701994 0.63067570701994 0.25000000000000 87.620 > 18 59 Sr 0.00000000000000 0.36932429298006 0.25000000000000 87.620 > 19 60 Sr 0.36932429298006 0.00000000000000 0.25000000000000 87.620 > 20 *61 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 21 62 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 22 63 Rh 0.66666666666667 0.33333333333333 0.83333333333333 102.906 > 21 64 Rh 0.66666666666667 0.33333333333333 0.33333333333333 102.906 > 22 65 Rh 0.33333333333333 0.66666666666667 0.16666666666667 102.906 > 21 66 Rh 0.33333333333333 0.66666666666667 0.66666666666667 102.906 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6063286 0.0000000 0.0000000 0.0000000 4.6063286 0.0000000 0.0000000 0.0000000 5.8786282 -------------------------- Born effective charges -------------------------- 1 O -1.7230954 -0.4306821 -0.1734814 -0.4972109 -2.1033143 -0.2412207 -0.2434018 -0.4156007 -2.4160497 2 O -1.6064702 0.4298772 -0.1221625 0.3633485 -2.2199396 0.2708496 -0.2382199 0.4185925 -2.4160497 3 O -2.4100491 0.1005980 0.2956439 0.0340692 -1.4163607 -0.0296290 0.4816216 -0.0029918 -2.4160497 4 O -1.6064702 -0.4298772 0.1221625 -0.3633485 -2.2199396 0.2708496 0.2382199 0.4185925 -2.4160497 5 O -1.7230954 0.4306821 0.1734814 0.4972109 -2.1033143 -0.2412207 0.2434018 -0.4156007 -2.4160497 6 O -2.4100491 -0.1005980 -0.2956439 -0.0340692 -1.4163607 -0.0296290 -0.4816216 -0.0029918 -2.4160497 7 O -1.7230954 -0.4306821 -0.1734814 -0.4972109 -2.1033143 -0.2412207 -0.2434018 -0.4156007 -2.4160497 8 O -1.6064702 0.4298772 -0.1221625 0.3633485 -2.2199396 0.2708496 -0.2382199 0.4185925 -2.4160497 9 O -2.4100491 0.1005980 0.2956439 0.0340692 -1.4163607 -0.0296290 0.4816216 -0.0029918 -2.4160497 10 O -1.6064702 -0.4298772 0.1221625 -0.3633485 -2.2199396 0.2708496 0.2382199 0.4185925 -2.4160497 11 O -2.4100491 -0.1005980 -0.2956439 -0.0340692 -1.4163607 -0.0296290 -0.4816216 -0.0029918 -2.4160497 12 O -1.7230954 0.4306821 0.1734814 0.4972109 -2.1033143 -0.2412207 0.2434018 -0.4156007 -2.4160497 13 Sc 2.0093089 0.0000000 -0.0000000 -0.0000000 2.0093089 0.0000000 0.0000000 -0.0000000 6.3866591 14 Sc 2.0093089 0.0000000 -0.0000000 -0.0000000 2.0093089 0.0000000 0.0000000 -0.0000000 6.3866591 15 Sr 2.9277467 -0.0786359 0.2901318 -0.0786359 2.8369458 -0.1675077 0.2021577 -0.1167158 2.3291133 16 Sr 2.9277467 0.0786359 -0.2901318 0.0786359 2.8369458 -0.1675077 -0.2021577 -0.1167158 2.3291133 17 Sr 2.7915453 -0.0000000 -0.0000000 0.0000000 2.9731472 0.3350154 0.0000000 0.2334316 2.3291133 18 Sr 2.9277467 -0.0786359 0.2901318 -0.0786359 2.8369458 -0.1675077 0.2021577 -0.1167158 2.3291133 19 Sr 2.9277467 0.0786359 -0.2901318 0.0786359 2.8369458 -0.1675077 -0.2021577 -0.1167158 2.3291133 20 Sr 2.7915453 -0.0000000 -0.0000000 0.0000000 2.9731472 0.3350154 0.0000000 0.2334316 2.3291133 21 Rh 0.8228816 0.0571379 -0.0000000 -0.0571379 0.8228816 0.0000000 0.0000000 -0.0000000 1.1222992 22 Rh 0.8228816 -0.0571379 -0.0000000 0.0571379 0.8228816 0.0000000 0.0000000 -0.0000000 1.1222992 ---------------------------------------------------------------------------- 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: 198/198 Permutation basis: 8193/8193 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 300 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: 275 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 83 Use standard eigh solver. Tree of FC basis block matrices: - (592, 573), data: False |-- (83, 79), data: True |-- (234, 228), data: True |-- (275, 266), data: True ----- Solver_atoms: 1 -- 66 / 66 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 0.316 Solver_block: 200 / 240 - Time: 0.325 Solver_block: 240 / 240 - Time: 0.165 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.835 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 198/198 Permutation basis: 8193/8193 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 300 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: 275 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 83 Use standard eigh solver. Tree of FC basis block matrices: - (592, 573), data: False |-- (83, 79), data: True |-- (234, 228), data: True |-- (275, 266), 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 04:16:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:16:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.811663134650801 2.778015006040432 3.661997253333328 b -4.811663134650792 2.778015006040432 3.661997253333328 c 0.000000000000005 -5.556030012080874 3.661997253333328 Atomic positions (fractional): 1 O 0.79192113543877 0.59815751367481 0.46533788211210 15.999 2 O 0.59815751367481 0.46533788211210 0.79192113543877 15.999 3 O 0.46533788211210 0.79192113543878 0.59815751367481 15.999 4 O 0.03466211788790 0.90184248632519 0.70807886456123 15.999 5 O 0.90184248632519 0.70807886456123 0.03466211788790 15.999 6 O 0.70807886456123 0.03466211788790 0.90184248632519 15.999 7 O 0.20807886456123 0.40184248632519 0.53466211788790 15.999 8 O 0.40184248632519 0.53466211788790 0.20807886456123 15.999 9 O 0.53466211788790 0.20807886456123 0.40184248632519 15.999 10 O 0.96533788211210 0.09815751367481 0.29192113543877 15.999 11 O 0.29192113543877 0.96533788211210 0.09815751367481 15.999 12 O 0.09815751367481 0.29192113543877 0.96533788211210 15.999 13 Sc 0.75000000000000 0.75000000000000 0.75000000000000 44.956 14 Sc 0.25000000000000 0.25000000000000 0.25000000000000 44.956 15 Sr 0.11932429298006 0.75000000000000 0.38067570701994 87.620 16 Sr 0.75000000000000 0.38067570701994 0.11932429298006 87.620 17 Sr 0.38067570701994 0.11932429298007 0.75000000000000 87.620 18 Sr 0.88067570701994 0.25000000000000 0.61932429298006 87.620 19 Sr 0.25000000000000 0.61932429298006 0.88067570701994 87.620 20 Sr 0.61932429298006 0.88067570701994 0.25000000000000 87.620 21 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 22 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.623326269301593 0.000000000000000 0.000000000000000 b -4.811663134650797 8.334045018121307 0.000000000000000 c 0.000000000000000 0.000000000000000 10.985991759999997 Atomic positions (fractional): 1 O 0.17344895836355 0.15313429496313 0.61847217707523 15.999 > 1 2 O 0.97968533659958 0.82655104163645 0.61847217707523 15.999 > 2 3 O 0.84686570503687 0.02031466340042 0.61847217707523 15.999 > 3 4 O 0.48646762829646 0.84011562503021 0.54819448959144 15.999 > 4 5 O 0.35364799673375 0.51353237170354 0.54819448959144 15.999 > 5 6 O 0.15988437496979 0.64635200326625 0.54819448959144 15.999 > 6 7 O 0.82655104163645 0.84686570503687 0.38152782292477 15.999 > 7 8 O 0.02031466340042 0.17344895836355 0.38152782292477 15.999 > 8 9 O 0.15313429496313 0.97968533659958 0.38152782292477 15.999 > 9 10 O 0.51353237170354 0.15988437496979 0.45180551040856 15.999 > 10 11 O 0.84011562503021 0.35364799673375 0.45180551040856 15.999 > 11 12 O 0.64635200326625 0.48646762829646 0.45180551040856 15.999 > 12 13 O 0.84011562503021 0.48646762829646 0.95180551040856 15.999 > 1 14 O 0.64635200326625 0.15988437496979 0.95180551040856 15.999 > 2 15 O 0.51353237170354 0.35364799673375 0.95180551040856 15.999 > 3 16 O 0.15313429496313 0.17344895836355 0.88152782292477 15.999 > 4 17 O 0.02031466340042 0.84686570503687 0.88152782292477 15.999 > 5 18 O 0.82655104163645 0.97968533659958 0.88152782292477 15.999 > 6 19 O 0.49321770830312 0.18019903837020 0.71486115625811 15.999 > 7 20 O 0.68698133006708 0.50678229169688 0.71486115625811 15.999 > 8 21 O 0.81980096162980 0.31301866993291 0.71486115625811 15.999 > 9 22 O 0.18019903837020 0.49321770830312 0.78513884374189 15.999 > 10 23 O 0.50678229169688 0.68698133006708 0.78513884374189 15.999 > 11 24 O 0.31301866993291 0.81980096162980 0.78513884374189 15.999 > 12 25 O 0.50678229169688 0.81980096162980 0.28513884374189 15.999 > 1 26 O 0.31301866993291 0.49321770830312 0.28513884374189 15.999 > 2 27 O 0.18019903837020 0.68698133006708 0.28513884374189 15.999 > 3 28 O 0.81980096162980 0.50678229169688 0.21486115625811 15.999 > 4 29 O 0.68698133006708 0.18019903837020 0.21486115625811 15.999 > 5 30 O 0.49321770830312 0.31301866993291 0.21486115625811 15.999 > 6 31 O 0.15988437496979 0.51353237170354 0.04819448959144 15.999 > 7 32 O 0.35364799673375 0.84011562503021 0.04819448959144 15.999 > 8 33 O 0.48646762829646 0.64635200326625 0.04819448959144 15.999 > 9 34 O 0.84686570503687 0.82655104163645 0.11847217707523 15.999 > 10 35 O 0.17344895836355 0.02031466340042 0.11847217707523 15.999 > 11 36 O 0.97968533659958 0.15313429496313 0.11847217707523 15.999 > 12 37 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 37 38 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 38 39 Sc 0.66666666666667 0.33333333333333 0.08333333333333 44.956 > 37 40 Sc 0.66666666666667 0.33333333333333 0.58333333333333 44.956 > 38 41 Sc 0.33333333333333 0.66666666666667 0.41666666666667 44.956 > 37 42 Sc 0.33333333333333 0.66666666666667 0.91666666666667 44.956 > 38 43 Sr 0.70265762631340 0.03599095964673 0.41666666666667 87.620 > 43 44 Sr 0.33333333333333 0.29734237368660 0.41666666666667 87.620 > 44 45 Sr 0.96400904035327 0.66666666666667 0.41666666666667 87.620 > 45 46 Sr 0.29734237368660 0.96400904035327 0.58333333333333 87.620 > 46 47 Sr 0.66666666666667 0.70265762631340 0.58333333333333 87.620 > 47 48 Sr 0.03599095964673 0.33333333333333 0.58333333333333 87.620 > 48 49 Sr 0.36932429298006 0.36932429298006 0.75000000000000 87.620 > 43 50 Sr 0.00000000000000 0.63067570701994 0.75000000000000 87.620 > 44 51 Sr 0.63067570701994 0.00000000000000 0.75000000000000 87.620 > 45 52 Sr 0.96400904035327 0.29734237368660 0.91666666666667 87.620 > 46 53 Sr 0.33333333333333 0.03599095964673 0.91666666666667 87.620 > 47 54 Sr 0.70265762631340 0.66666666666667 0.91666666666667 87.620 > 48 55 Sr 0.03599095964673 0.70265762631340 0.08333333333333 87.620 > 43 56 Sr 0.66666666666667 0.96400904035327 0.08333333333333 87.620 > 44 57 Sr 0.29734237368660 0.33333333333333 0.08333333333333 87.620 > 45 58 Sr 0.63067570701994 0.63067570701994 0.25000000000000 87.620 > 46 59 Sr 0.00000000000000 0.36932429298006 0.25000000000000 87.620 > 47 60 Sr 0.36932429298006 0.00000000000000 0.25000000000000 87.620 > 48 61 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 61 62 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 62 63 Rh 0.66666666666667 0.33333333333333 0.83333333333333 102.906 > 61 64 Rh 0.66666666666667 0.33333333333333 0.33333333333333 102.906 > 62 65 Rh 0.33333333333333 0.66666666666667 0.16666666666667 102.906 > 61 66 Rh 0.33333333333333 0.66666666666667 0.66666666666667 102.906 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6063286 0.0000000 0.0000000 0.0000000 4.6063286 0.0000000 0.0000000 0.0000000 5.8786282 -------------------------- Born effective charges -------------------------- 1 O -1.7230954 -0.4306821 -0.1734814 -0.4972109 -2.1033143 -0.2412207 -0.2434018 -0.4156007 -2.4160497 2 O -1.6064702 0.4298772 -0.1221625 0.3633485 -2.2199396 0.2708496 -0.2382199 0.4185925 -2.4160497 3 O -2.4100491 0.1005980 0.2956439 0.0340692 -1.4163607 -0.0296290 0.4816216 -0.0029918 -2.4160497 4 O -1.6064702 -0.4298772 0.1221625 -0.3633485 -2.2199396 0.2708496 0.2382199 0.4185925 -2.4160497 5 O -1.7230954 0.4306821 0.1734814 0.4972109 -2.1033143 -0.2412207 0.2434018 -0.4156007 -2.4160497 6 O -2.4100491 -0.1005980 -0.2956439 -0.0340692 -1.4163607 -0.0296290 -0.4816216 -0.0029918 -2.4160497 7 O -1.7230954 -0.4306821 -0.1734814 -0.4972109 -2.1033143 -0.2412207 -0.2434018 -0.4156007 -2.4160497 8 O -1.6064702 0.4298772 -0.1221625 0.3633485 -2.2199396 0.2708496 -0.2382199 0.4185925 -2.4160497 9 O -2.4100491 0.1005980 0.2956439 0.0340692 -1.4163607 -0.0296290 0.4816216 -0.0029918 -2.4160497 10 O -1.6064702 -0.4298772 0.1221625 -0.3633485 -2.2199396 0.2708496 0.2382199 0.4185925 -2.4160497 11 O -2.4100491 -0.1005980 -0.2956439 -0.0340692 -1.4163607 -0.0296290 -0.4816216 -0.0029918 -2.4160497 12 O -1.7230954 0.4306821 0.1734814 0.4972109 -2.1033143 -0.2412207 0.2434018 -0.4156007 -2.4160497 13 Sc 2.0093089 0.0000000 -0.0000000 -0.0000000 2.0093089 0.0000000 0.0000000 -0.0000000 6.3866591 14 Sc 2.0093089 0.0000000 -0.0000000 -0.0000000 2.0093089 0.0000000 0.0000000 -0.0000000 6.3866591 15 Sr 2.9277467 -0.0786359 0.2901318 -0.0786359 2.8369458 -0.1675077 0.2021577 -0.1167158 2.3291133 16 Sr 2.9277467 0.0786359 -0.2901318 0.0786359 2.8369458 -0.1675077 -0.2021577 -0.1167158 2.3291133 17 Sr 2.7915453 -0.0000000 -0.0000000 0.0000000 2.9731472 0.3350154 0.0000000 0.2334316 2.3291133 18 Sr 2.9277467 -0.0786359 0.2901318 -0.0786359 2.8369458 -0.1675077 0.2021577 -0.1167158 2.3291133 19 Sr 2.9277467 0.0786359 -0.2901318 0.0786359 2.8369458 -0.1675077 -0.2021577 -0.1167158 2.3291133 20 Sr 2.7915453 -0.0000000 -0.0000000 0.0000000 2.9731472 0.3350154 0.0000000 0.2334316 2.3291133 21 Rh 0.8228816 0.0571379 -0.0000000 -0.0571379 0.8228816 0.0000000 0.0000000 -0.0000000 1.1222992 22 Rh 0.8228816 -0.0571379 -0.0000000 0.0571379 0.8228816 0.0000000 0.0000000 -0.0000000 1.1222992 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, 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[ 43, 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: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:16:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:16:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.811663134650801 2.778015006040432 3.661997253333328 b -4.811663134650792 2.778015006040432 3.661997253333328 c 0.000000000000005 -5.556030012080874 3.661997253333328 Atomic positions (fractional): 1 O 0.79192113543877 0.59815751367481 0.46533788211210 15.999 2 O 0.59815751367481 0.46533788211210 0.79192113543877 15.999 3 O 0.46533788211210 0.79192113543878 0.59815751367481 15.999 4 O 0.03466211788790 0.90184248632519 0.70807886456123 15.999 5 O 0.90184248632519 0.70807886456123 0.03466211788790 15.999 6 O 0.70807886456123 0.03466211788790 0.90184248632519 15.999 7 O 0.20807886456123 0.40184248632519 0.53466211788790 15.999 8 O 0.40184248632519 0.53466211788790 0.20807886456123 15.999 9 O 0.53466211788790 0.20807886456123 0.40184248632519 15.999 10 O 0.96533788211210 0.09815751367481 0.29192113543877 15.999 11 O 0.29192113543877 0.96533788211210 0.09815751367481 15.999 12 O 0.09815751367481 0.29192113543877 0.96533788211210 15.999 13 Sc 0.75000000000000 0.75000000000000 0.75000000000000 44.956 14 Sc 0.25000000000000 0.25000000000000 0.25000000000000 44.956 15 Sr 0.11932429298006 0.75000000000000 0.38067570701994 87.620 16 Sr 0.75000000000000 0.38067570701994 0.11932429298006 87.620 17 Sr 0.38067570701994 0.11932429298007 0.75000000000000 87.620 18 Sr 0.88067570701994 0.25000000000000 0.61932429298006 87.620 19 Sr 0.25000000000000 0.61932429298006 0.88067570701994 87.620 20 Sr 0.61932429298006 0.88067570701994 0.25000000000000 87.620 21 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 22 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.623326269301593 0.000000000000000 0.000000000000000 b -4.811663134650797 8.334045018121307 0.000000000000000 c 0.000000000000000 0.000000000000000 10.985991759999997 Atomic positions (fractional): 1 O 0.17344895836355 0.15313429496313 0.61847217707523 15.999 > 1 2 O 0.97968533659958 0.82655104163645 0.61847217707523 15.999 > 2 3 O 0.84686570503687 0.02031466340042 0.61847217707523 15.999 > 3 4 O 0.48646762829646 0.84011562503021 0.54819448959144 15.999 > 4 5 O 0.35364799673375 0.51353237170354 0.54819448959144 15.999 > 5 6 O 0.15988437496979 0.64635200326625 0.54819448959144 15.999 > 6 7 O 0.82655104163645 0.84686570503687 0.38152782292477 15.999 > 7 8 O 0.02031466340042 0.17344895836355 0.38152782292477 15.999 > 8 9 O 0.15313429496313 0.97968533659958 0.38152782292477 15.999 > 9 10 O 0.51353237170354 0.15988437496979 0.45180551040856 15.999 > 10 11 O 0.84011562503021 0.35364799673375 0.45180551040856 15.999 > 11 12 O 0.64635200326625 0.48646762829646 0.45180551040856 15.999 > 12 13 O 0.84011562503021 0.48646762829646 0.95180551040856 15.999 > 1 14 O 0.64635200326625 0.15988437496979 0.95180551040856 15.999 > 2 15 O 0.51353237170354 0.35364799673375 0.95180551040856 15.999 > 3 16 O 0.15313429496313 0.17344895836355 0.88152782292477 15.999 > 4 17 O 0.02031466340042 0.84686570503687 0.88152782292477 15.999 > 5 18 O 0.82655104163645 0.97968533659958 0.88152782292477 15.999 > 6 19 O 0.49321770830312 0.18019903837020 0.71486115625811 15.999 > 7 20 O 0.68698133006708 0.50678229169688 0.71486115625811 15.999 > 8 21 O 0.81980096162980 0.31301866993291 0.71486115625811 15.999 > 9 22 O 0.18019903837020 0.49321770830312 0.78513884374189 15.999 > 10 23 O 0.50678229169688 0.68698133006708 0.78513884374189 15.999 > 11 24 O 0.31301866993291 0.81980096162980 0.78513884374189 15.999 > 12 25 O 0.50678229169688 0.81980096162980 0.28513884374189 15.999 > 1 26 O 0.31301866993291 0.49321770830312 0.28513884374189 15.999 > 2 27 O 0.18019903837020 0.68698133006708 0.28513884374189 15.999 > 3 28 O 0.81980096162980 0.50678229169688 0.21486115625811 15.999 > 4 29 O 0.68698133006708 0.18019903837020 0.21486115625811 15.999 > 5 30 O 0.49321770830312 0.31301866993291 0.21486115625811 15.999 > 6 31 O 0.15988437496979 0.51353237170354 0.04819448959144 15.999 > 7 32 O 0.35364799673375 0.84011562503021 0.04819448959144 15.999 > 8 33 O 0.48646762829646 0.64635200326625 0.04819448959144 15.999 > 9 34 O 0.84686570503687 0.82655104163645 0.11847217707523 15.999 > 10 35 O 0.17344895836355 0.02031466340042 0.11847217707523 15.999 > 11 36 O 0.97968533659958 0.15313429496313 0.11847217707523 15.999 > 12 37 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 37 38 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 38 39 Sc 0.66666666666667 0.33333333333333 0.08333333333333 44.956 > 37 40 Sc 0.66666666666667 0.33333333333333 0.58333333333333 44.956 > 38 41 Sc 0.33333333333333 0.66666666666667 0.41666666666667 44.956 > 37 42 Sc 0.33333333333333 0.66666666666667 0.91666666666667 44.956 > 38 43 Sr 0.70265762631340 0.03599095964673 0.41666666666667 87.620 > 43 44 Sr 0.33333333333333 0.29734237368660 0.41666666666667 87.620 > 44 45 Sr 0.96400904035327 0.66666666666667 0.41666666666667 87.620 > 45 46 Sr 0.29734237368660 0.96400904035327 0.58333333333333 87.620 > 46 47 Sr 0.66666666666667 0.70265762631340 0.58333333333333 87.620 > 47 48 Sr 0.03599095964673 0.33333333333333 0.58333333333333 87.620 > 48 49 Sr 0.36932429298006 0.36932429298006 0.75000000000000 87.620 > 43 50 Sr 0.00000000000000 0.63067570701994 0.75000000000000 87.620 > 44 51 Sr 0.63067570701994 0.00000000000000 0.75000000000000 87.620 > 45 52 Sr 0.96400904035327 0.29734237368660 0.91666666666667 87.620 > 46 53 Sr 0.33333333333333 0.03599095964673 0.91666666666667 87.620 > 47 54 Sr 0.70265762631340 0.66666666666667 0.91666666666667 87.620 > 48 55 Sr 0.03599095964673 0.70265762631340 0.08333333333333 87.620 > 43 56 Sr 0.66666666666667 0.96400904035327 0.08333333333333 87.620 > 44 57 Sr 0.29734237368660 0.33333333333333 0.08333333333333 87.620 > 45 58 Sr 0.63067570701994 0.63067570701994 0.25000000000000 87.620 > 46 59 Sr 0.00000000000000 0.36932429298006 0.25000000000000 87.620 > 47 60 Sr 0.36932429298006 0.00000000000000 0.25000000000000 87.620 > 48 61 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 61 62 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 62 63 Rh 0.66666666666667 0.33333333333333 0.83333333333333 102.906 > 61 64 Rh 0.66666666666667 0.33333333333333 0.33333333333333 102.906 > 62 65 Rh 0.33333333333333 0.66666666666667 0.16666666666667 102.906 > 61 66 Rh 0.33333333333333 0.66666666666667 0.66666666666667 102.906 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6063286 0.0000000 0.0000000 0.0000000 4.6063286 0.0000000 0.0000000 0.0000000 5.8786282 -------------------------- Born effective charges -------------------------- 1 O -1.7230954 -0.4306821 -0.1734814 -0.4972109 -2.1033143 -0.2412207 -0.2434018 -0.4156007 -2.4160497 2 O -1.6064702 0.4298772 -0.1221625 0.3633485 -2.2199396 0.2708496 -0.2382199 0.4185925 -2.4160497 3 O -2.4100491 0.1005980 0.2956439 0.0340692 -1.4163607 -0.0296290 0.4816216 -0.0029918 -2.4160497 4 O -1.6064702 -0.4298772 0.1221625 -0.3633485 -2.2199396 0.2708496 0.2382199 0.4185925 -2.4160497 5 O -1.7230954 0.4306821 0.1734814 0.4972109 -2.1033143 -0.2412207 0.2434018 -0.4156007 -2.4160497 6 O -2.4100491 -0.1005980 -0.2956439 -0.0340692 -1.4163607 -0.0296290 -0.4816216 -0.0029918 -2.4160497 7 O -1.7230954 -0.4306821 -0.1734814 -0.4972109 -2.1033143 -0.2412207 -0.2434018 -0.4156007 -2.4160497 8 O -1.6064702 0.4298772 -0.1221625 0.3633485 -2.2199396 0.2708496 -0.2382199 0.4185925 -2.4160497 9 O -2.4100491 0.1005980 0.2956439 0.0340692 -1.4163607 -0.0296290 0.4816216 -0.0029918 -2.4160497 10 O -1.6064702 -0.4298772 0.1221625 -0.3633485 -2.2199396 0.2708496 0.2382199 0.4185925 -2.4160497 11 O -2.4100491 -0.1005980 -0.2956439 -0.0340692 -1.4163607 -0.0296290 -0.4816216 -0.0029918 -2.4160497 12 O -1.7230954 0.4306821 0.1734814 0.4972109 -2.1033143 -0.2412207 0.2434018 -0.4156007 -2.4160497 13 Sc 2.0093089 0.0000000 -0.0000000 -0.0000000 2.0093089 0.0000000 0.0000000 -0.0000000 6.3866591 14 Sc 2.0093089 0.0000000 -0.0000000 -0.0000000 2.0093089 0.0000000 0.0000000 -0.0000000 6.3866591 15 Sr 2.9277467 -0.0786359 0.2901318 -0.0786359 2.8369458 -0.1675077 0.2021577 -0.1167158 2.3291133 16 Sr 2.9277467 0.0786359 -0.2901318 0.0786359 2.8369458 -0.1675077 -0.2021577 -0.1167158 2.3291133 17 Sr 2.7915453 -0.0000000 -0.0000000 0.0000000 2.9731472 0.3350154 0.0000000 0.2334316 2.3291133 18 Sr 2.9277467 -0.0786359 0.2901318 -0.0786359 2.8369458 -0.1675077 0.2021577 -0.1167158 2.3291133 19 Sr 2.9277467 0.0786359 -0.2901318 0.0786359 2.8369458 -0.1675077 -0.2021577 -0.1167158 2.3291133 20 Sr 2.7915453 -0.0000000 -0.0000000 0.0000000 2.9731472 0.3350154 0.0000000 0.2334316 2.3291133 21 Rh 0.8228816 0.0571379 -0.0000000 -0.0571379 0.8228816 0.0000000 0.0000000 -0.0000000 1.1222992 22 Rh 0.8228816 -0.0571379 -0.0000000 0.0571379 0.8228816 0.0000000 0.0000000 -0.0000000 1.1222992 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] 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: 0.62, Number of G-points: 293, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/65) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 65 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 3.459 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.625 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 4.267 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 6.291 ( 0.000 0.000 0.000) 0.000 6.489 ( 0.000 0.000 0.000) 0.000 6.489 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.571 ( 0.000 0.000 0.000) 0.000 7.904 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.160 ( 0.000 0.000 0.000) 0.000 8.160 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.808 ( 0.000 0.000 0.000) 0.000 9.636 ( 0.000 0.000 0.000) 0.000 9.636 ( 0.000 0.000 0.000) 0.000 10.242 ( 0.000 0.000 0.000) 0.000 10.242 ( 0.000 0.000 0.000) 0.000 10.871 ( 0.000 0.000 0.000) 0.000 10.871 ( 0.000 0.000 0.000) 0.000 10.913 ( 0.000 0.000 0.000) 0.000 10.913 ( 0.000 0.000 0.000) 0.000 11.307 ( 0.000 0.000 0.000) 0.000 11.307 ( 0.000 0.000 0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 11.986 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 0.000) 0.000 12.487 ( 0.000 0.000 0.000) 0.000 14.205 ( 0.000 0.000 0.000) 0.000 15.179 ( 0.000 0.000 0.000) 0.000 15.288 ( 0.000 0.000 0.000) 0.000 15.632 ( 0.000 0.000 0.000) 0.000 15.632 ( 0.000 0.000 0.000) 0.000 16.344 ( 0.000 0.000 0.000) 0.000 16.501 ( 0.000 0.000 0.000) 0.000 16.501 ( 0.000 0.000 0.000) 0.000 16.777 ( 0.000 0.000 0.000) 0.000 16.777 ( 0.000 0.000 0.000) 0.000 17.230 ( 0.000 0.000 0.000) 0.000 17.230 ( 0.000 0.000 0.000) 0.000 17.427 ( 0.000 0.000 0.000) 0.000 18.183 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/65) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 0.578 ( 19.168 11.067 21.851) 31.102 0.651 ( 18.599 10.738 28.570) 35.742 1.149 ( 35.589 20.547 44.531) 60.595 3.421 ( -6.964 -4.021 2.599) 8.451 3.463 ( -2.519 -1.454 -2.163) 3.624 3.478 ( 0.400 0.231 -1.394) 1.469 3.584 ( -1.456 -0.840 -4.168) 4.494 3.773 ( 1.057 0.610 -4.229) 4.402 3.808 ( -0.362 -0.209 4.705) 4.723 3.823 ( 1.685 0.973 2.391) 3.083 4.228 ( -0.093 -0.054 -6.552) 6.552 4.250 ( 2.912 1.681 -9.633) 10.203 4.411 ( -8.656 -4.998 20.195) 22.533 4.538 ( 0.652 0.377 3.901) 3.973 4.549 ( -2.838 -1.638 3.896) 5.091 4.697 ( 3.943 2.277 -1.607) 4.829 5.019 ( -9.854 -5.689 4.727) 12.321 5.125 ( -1.084 -0.626 2.809) 3.075 5.295 ( -2.244 -1.296 -4.181) 4.919 5.404 ( 0.916 0.529 2.446) 2.665 5.485 ( 2.752 1.589 3.578) 4.786 5.526 ( 7.769 4.486 -0.313) 8.977 6.246 ( 0.362 0.209 -8.774) 8.784 6.261 ( 38.180 22.043 -63.652) 77.429 6.464 ( -2.384 -1.376 -7.160) 7.671 6.486 ( 0.322 0.186 -0.365) 0.521 6.545 ( 3.447 1.990 -2.709) 4.814 6.854 ( -0.135 -0.078 -29.363) 29.363 7.643 ( 4.899 2.828 2.596) 6.224 7.690 ( -3.735 -2.157 -24.798) 25.171 7.783 ( 0.288 0.166 -26.494) 26.496 8.056 ( -0.224 -0.129 20.155) 20.156 8.295 ( -6.506 -3.756 25.102) 26.202 8.478 ( 3.844 2.219 26.840) 27.205 8.583 ( -2.575 -1.487 14.162) 14.471 9.481 ( -21.774 -12.571 32.088) 40.764 9.562 ( -4.164 -2.404 -5.793) 7.528 9.817 ( 2.687 1.552 -0.070) 3.104 10.262 ( 2.882 1.664 -1.785) 3.776 10.264 ( 0.044 0.025 3.370) 3.370 10.804 ( -5.418 -3.128 -1.296) 6.389 10.819 ( -3.557 -2.054 0.645) 4.158 10.952 ( 2.458 1.419 -1.217) 3.089 10.991 ( 5.651 3.263 -1.419) 6.678 11.249 ( -3.700 -2.136 -1.873) 4.664 11.289 ( 1.200 0.693 -5.908) 6.068 11.527 ( -1.610 -0.929 3.982) 4.394 11.546 ( -0.607 -0.351 4.324) 4.381 12.090 ( -3.174 -1.833 -1.738) 4.057 12.112 ( -2.451 -1.415 -4.384) 5.218 12.574 ( 12.151 7.015 -5.566) 15.094 13.453 ( -52.653 -30.399 74.376) 96.063 14.234 ( 1.209 0.698 3.194) 3.486 15.134 ( -1.746 -1.008 -5.084) 5.469 15.498 ( -11.598 -6.696 23.071) 26.676 15.651 ( 0.385 0.222 2.643) 2.680 15.858 ( -13.006 -7.509 21.241) 26.013 16.305 ( 1.204 0.695 -7.862) 7.984 16.467 ( 0.384 0.222 -6.855) 6.870 16.479 ( -1.946 -1.124 -0.805) 2.387 16.772 ( -0.240 -0.138 1.297) 1.326 17.216 ( -0.739 -0.427 -1.293) 1.549 17.344 ( 5.123 2.958 10.052) 11.664 17.492 ( 0.187 0.108 10.455) 10.457 18.169 ( 0.548 0.316 -3.439) 3.496 18.638 ( 17.281 9.977 -30.373) 36.342 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 19.647 11.343 21.573) 31.306 1.289 ( 19.372 11.184 25.605) 34.000 2.215 ( 31.523 18.200 38.949) 53.310 3.242 ( -13.400 -7.736 -3.278) 15.816 3.249 ( -11.559 -6.673 -12.311) 18.157 3.476 ( -0.380 -0.220 1.686) 1.743 3.575 ( 0.970 0.560 2.750) 2.969 3.777 ( 4.087 2.360 -3.405) 5.819 3.860 ( 4.047 2.337 -1.119) 4.805 3.930 ( 2.598 1.500 8.817) 9.314 4.178 ( 1.180 0.681 -3.870) 4.103 4.208 ( 5.031 2.905 -9.555) 11.183 4.493 ( -3.265 -1.885 10.379) 11.043 4.493 ( -4.304 -2.485 -0.740) 5.024 4.629 ( -2.004 -1.157 16.040) 16.206 4.644 ( -6.188 -3.572 -5.131) 8.796 4.990 ( -3.006 -1.735 4.452) 5.645 5.107 ( -7.445 -4.298 -7.720) 11.554 5.127 ( -3.133 -1.809 3.439) 4.992 5.500 ( 3.729 2.153 6.163) 7.519 5.602 ( 3.863 2.231 6.105) 7.561 5.685 ( 9.539 5.507 -1.318) 11.093 6.104 ( 2.121 1.224 -19.342) 19.497 6.189 ( 10.457 6.037 -22.812) 25.810 6.302 ( -4.926 -2.844 -6.917) 8.955 6.473 ( -2.176 -1.256 -16.835) 17.022 6.525 ( 1.254 0.724 -9.034) 9.149 6.605 ( 4.971 2.870 -0.799) 5.796 7.356 ( -3.916 -2.261 -21.701) 22.167 7.446 ( -4.495 -2.595 -24.173) 24.724 7.794 ( 8.049 4.647 2.537) 9.634 8.233 ( -1.875 -1.083 11.614) 11.814 8.473 ( -5.769 -3.331 25.108) 25.977 8.683 ( -5.536 -3.196 23.551) 24.404 8.925 ( 6.162 3.558 26.891) 27.817 9.389 ( -5.689 -3.284 -7.668) 10.097 9.408 ( -12.768 -7.372 8.289) 16.914 9.915 ( 9.076 5.240 -2.306) 10.730 10.274 ( 2.235 1.290 -4.389) 5.092 10.303 ( 0.716 0.413 1.106) 1.381 10.658 ( -9.112 -5.261 -1.344) 10.608 10.797 ( -1.507 -0.870 3.164) 3.611 10.933 ( -0.926 -0.534 -4.164) 4.299 11.068 ( 5.393 3.113 -2.664) 6.773 11.197 ( -0.801 -0.463 0.846) 1.254 11.250 ( 1.407 0.812 -4.228) 4.530 11.554 ( -2.680 -1.548 7.469) 8.085 11.582 ( -1.276 -0.737 5.012) 5.224 11.983 ( -1.281 -0.740 -9.749) 9.860 12.003 ( -1.894 -1.094 -8.129) 8.418 12.743 ( 16.394 9.465 -8.953) 20.940 13.364 ( -28.257 -16.314 33.591) 46.829 14.317 ( 2.257 1.303 5.993) 6.535 15.008 ( -3.311 -1.912 -9.039) 9.815 15.581 ( -3.603 -2.080 13.997) 14.602 15.700 ( 0.559 0.323 3.988) 4.040 15.887 ( -5.535 -3.196 12.332) 13.890 16.231 ( 2.777 1.603 -10.326) 10.812 16.368 ( 0.350 0.202 -10.658) 10.666 16.420 ( -3.716 -2.145 -0.743) 4.355 16.815 ( 1.638 0.945 3.774) 4.221 17.174 ( -1.560 -0.900 -2.611) 3.171 17.577 ( 4.430 2.558 13.536) 14.470 17.662 ( 2.459 1.420 15.877) 16.129 18.123 ( 0.788 0.455 -6.686) 6.748 18.563 ( 5.500 3.175 -17.792) 18.891 ======================= Grid point 3 (4/65) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.746 ( 19.746 11.401 20.857) 30.902 1.896 ( 19.776 11.417 20.958) 30.995 2.826 ( -15.844 -9.147 -15.728) 24.126 2.900 ( -17.050 -9.844 -9.657) 21.929 3.080 ( 22.188 12.810 24.350) 35.346 3.505 ( -1.188 -0.686 5.218) 5.395 3.638 ( 0.276 0.159 4.794) 4.805 3.790 ( 1.592 0.919 -5.258) 5.570 3.944 ( 6.990 4.036 1.085) 8.144 4.093 ( 5.530 3.193 6.308) 8.976 4.177 ( 0.534 0.308 0.190) 0.645 4.214 ( 6.117 3.532 -5.058) 8.688 4.370 ( -4.634 -2.675 -8.967) 10.442 4.496 ( -4.505 -2.601 0.196) 5.205 4.524 ( -1.285 -0.742 2.220) 2.670 4.756 ( -14.370 -8.297 -8.190) 18.504 4.840 ( -4.120 -2.379 28.858) 29.248 5.054 ( 0.697 0.402 -2.293) 2.430 5.107 ( -3.993 -2.306 6.077) 7.628 5.573 ( 6.983 4.032 -21.884) 23.322 5.739 ( 2.911 1.681 6.835) 7.617 5.784 ( 4.171 2.408 0.858) 4.892 5.953 ( 1.956 1.129 -6.875) 7.236 6.108 ( 0.666 0.384 -7.651) 7.690 6.162 ( -1.825 -1.054 -7.908) 8.184 6.200 ( -2.146 -1.239 -14.177) 14.392 6.594 ( 3.831 2.212 5.900) 7.374 6.700 ( 3.808 2.199 4.552) 6.329 7.071 ( -3.639 -2.101 -16.571) 17.095 7.097 ( -6.801 -3.927 -19.062) 20.617 7.971 ( 9.738 5.622 0.995) 11.288 8.249 ( -6.509 -3.758 4.830) 8.935 8.668 ( -3.936 -2.273 23.982) 24.409 8.876 ( -3.477 -2.007 22.751) 23.103 9.098 ( 1.670 0.964 -17.227) 17.335 9.254 ( -6.766 -3.907 -4.828) 9.184 9.428 ( 0.700 0.404 30.777) 30.788 10.009 ( 8.354 4.823 -12.795) 16.024 10.249 ( 1.279 0.739 -4.671) 4.899 10.259 ( -3.169 -1.830 -5.200) 6.359 10.546 ( -5.533 -3.194 8.505) 10.637 10.758 ( -2.051 -1.184 -7.142) 7.525 10.927 ( 0.030 0.017 7.458) 7.458 11.097 ( 3.568 2.060 -6.792) 7.944 11.221 ( 0.648 0.374 2.233) 2.356 11.245 ( 1.373 0.793 -1.214) 1.997 11.605 ( -3.238 -1.869 10.494) 11.140 11.621 ( -0.351 -0.203 4.638) 4.656 11.841 ( -0.743 -0.429 -10.891) 10.925 11.866 ( -1.166 -0.673 -10.691) 10.775 12.926 ( 17.371 10.029 -10.644) 22.708 13.243 ( -20.616 -11.903 19.629) 30.855 14.449 ( 3.355 1.937 8.630) 9.459 14.825 ( -4.260 -2.459 -10.943) 11.998 15.676 ( -1.130 -0.652 9.171) 9.263 15.744 ( 0.203 0.117 1.829) 1.844 15.953 ( -2.028 -1.171 10.950) 11.197 16.167 ( 1.838 1.061 -9.310) 9.549 16.266 ( 3.234 1.867 -10.549) 11.190 16.341 ( -5.240 -3.026 0.793) 6.103 16.904 ( 2.759 1.593 4.659) 5.644 17.103 ( -2.391 -1.381 -3.814) 4.709 17.773 ( 0.668 0.386 13.892) 13.913 17.929 ( 5.397 3.116 16.962) 18.071 18.043 ( 0.651 0.376 -9.671) 9.700 18.419 ( -0.061 -0.035 -15.823) 15.823 ======================= Grid point 4 (5/65) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -18.381 -10.612 -18.863) 28.395 2.311 ( 18.381 10.612 18.863) 28.395 2.444 ( -18.634 -10.758 -14.799) 26.114 2.444 ( 18.634 10.758 14.799) 26.114 3.496 ( -7.671 -4.429 -0.256) 8.862 3.496 ( 7.671 4.429 0.256) 8.862 3.702 ( -0.893 -0.515 -7.861) 7.928 3.702 ( 0.893 0.515 7.861) 7.928 4.131 ( -6.221 -3.592 -6.286) 9.546 4.131 ( 6.221 3.592 6.286) 9.546 4.201 ( -2.951 -1.704 -2.590) 4.280 4.201 ( 2.951 1.704 2.590) 4.280 4.390 ( -11.820 -6.824 -6.619) 15.169 4.390 ( 11.820 6.824 6.619) 15.169 4.508 ( 1.315 0.759 -2.031) 2.536 4.508 ( -1.315 -0.759 2.031) 2.536 5.017 ( 2.381 1.374 -9.196) 9.598 5.017 ( -2.381 -1.374 9.196) 9.598 5.268 ( 3.796 2.192 -35.860) 36.127 5.268 ( -3.796 -2.192 35.860) 36.127 5.832 ( 0.475 0.274 -4.066) 4.103 5.832 ( -0.475 -0.274 4.066) 4.103 6.017 ( 2.534 1.463 -15.228) 15.506 6.017 ( -2.534 -1.463 15.228) 15.506 6.092 ( 4.445 2.566 -8.789) 10.178 6.092 ( -4.445 -2.566 8.789) 10.178 6.784 ( -4.823 -2.784 -10.615) 11.987 6.784 ( 4.823 2.784 10.615) 11.987 6.861 ( -1.885 -1.088 -8.521) 8.794 6.861 ( 1.885 1.088 8.521) 8.794 8.140 ( -9.615 -5.551 1.508) 11.204 8.140 ( 9.615 5.551 -1.508) 11.204 8.881 ( 1.436 0.829 -21.354) 21.418 8.881 ( -1.436 -0.829 21.354) 21.418 9.074 ( -1.682 -0.971 -13.691) 13.828 9.074 ( 1.682 0.971 13.691) 13.828 9.807 ( -0.588 -0.339 -29.658) 29.666 9.807 ( 0.588 0.339 29.658) 29.666 10.220 ( 1.307 0.754 -3.970) 4.247 10.220 ( -1.307 -0.754 3.970) 4.247 10.626 ( -0.731 -0.422 -9.972) 10.008 10.626 ( 0.731 0.422 9.972) 10.008 11.034 ( 0.557 0.322 -9.791) 9.812 11.034 ( -0.557 -0.322 9.791) 9.812 11.249 ( 0.517 0.299 -1.843) 1.937 11.249 ( -0.517 -0.299 1.843) 1.937 11.661 ( 1.831 1.057 -3.171) 3.811 11.661 ( -1.831 -1.057 3.171) 3.811 11.758 ( -0.175 -0.101 -1.671) 1.683 11.758 ( 0.175 0.101 1.671) 1.683 13.097 ( 17.961 10.370 -13.314) 24.645 13.097 ( -17.961 -10.370 13.314) 24.645 14.626 ( -4.229 -2.442 -10.613) 11.683 14.626 ( 4.229 2.442 10.613) 11.683 15.738 ( 0.277 0.160 -3.606) 3.620 15.738 ( -0.277 -0.160 3.606) 3.620 16.062 ( 0.144 0.083 -10.810) 10.811 16.062 ( -0.144 -0.083 10.810) 10.811 16.269 ( 6.074 3.507 -4.600) 8.388 16.269 ( -6.074 -3.507 4.600) 8.388 17.008 ( -2.924 -1.688 -4.592) 5.700 17.008 ( 2.924 1.688 4.592) 5.700 17.925 ( 0.229 0.132 -12.255) 12.258 17.925 ( -0.229 -0.132 12.255) 12.258 18.202 ( -3.691 -2.131 -16.378) 16.924 18.202 ( 3.691 2.131 16.378) 16.924 ======================= Grid point 10 (6/65) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -0.000 20.304 27.142) 33.896 0.951 ( -0.000 16.290 30.133) 34.255 1.733 ( -0.000 21.320 57.809) 61.615 3.434 ( 0.000 -5.905 1.028) 5.993 3.444 ( 0.000 -2.455 -1.932) 3.124 3.519 ( 0.000 -2.645 -5.838) 6.409 3.541 ( -0.000 2.470 4.280) 4.942 3.696 ( -0.000 -0.799 -5.442) 5.500 3.798 ( -0.000 3.198 -3.772) 4.946 3.909 ( 0.000 -0.982 9.905) 9.954 4.063 ( 0.000 -3.065 -11.734) 12.128 4.188 ( -0.000 5.951 -6.610) 8.894 4.531 ( 0.000 -4.190 2.294) 4.777 4.605 ( 0.000 -1.381 -5.373) 5.548 4.664 ( -0.000 3.313 2.499) 4.150 4.687 ( 0.000 -10.394 25.242) 27.298 5.128 ( 0.000 -7.868 7.703) 11.010 5.197 ( -0.000 1.631 5.228) 5.477 5.262 ( 0.000 -2.614 -3.509) 4.376 5.408 ( 0.000 -3.492 0.277) 3.503 5.473 ( -0.000 10.575 -1.176) 10.640 5.582 ( -0.000 5.149 3.268) 6.099 5.756 ( -0.000 30.355 -22.187) 37.599 6.073 ( -0.000 -0.689 -20.623) 20.635 6.418 ( 0.000 -5.553 -4.131) 6.922 6.507 ( 0.000 -2.566 -0.307) 2.585 6.513 ( -0.000 -0.856 -13.534) 13.561 6.545 ( -0.000 4.010 -8.921) 9.781 7.399 ( 0.000 -5.930 -22.977) 23.730 7.516 ( -0.000 2.715 -24.011) 24.164 7.691 ( -0.000 4.647 5.306) 7.053 8.257 ( 0.000 -1.283 14.562) 14.618 8.579 ( 0.000 -6.886 22.673) 23.696 8.767 ( -0.000 4.130 24.575) 24.920 8.806 ( 0.000 -2.398 24.325) 24.443 9.509 ( 0.000 -6.776 -3.820) 7.779 9.666 ( 0.000 -13.506 -7.409) 15.404 9.716 ( -0.000 5.867 0.698) 5.909 10.249 ( -0.000 1.583 -2.144) 2.665 10.285 ( -0.000 4.887 -0.905) 4.970 10.795 ( 0.000 -4.059 -3.122) 5.121 10.796 ( 0.000 -9.670 0.112) 9.671 10.958 ( -0.000 6.410 -1.314) 6.543 10.972 ( -0.000 3.995 -0.003) 3.995 11.191 ( 0.000 -3.072 -3.656) 4.775 11.254 ( -0.000 2.036 -3.912) 4.410 11.572 ( 0.000 -3.438 6.221) 7.108 11.643 ( 0.000 1.220 9.257) 9.337 12.016 ( 0.000 -2.868 -8.989) 9.436 12.046 ( -0.000 -1.071 -8.558) 8.625 12.469 ( -0.000 12.325 -10.600) 16.256 13.914 ( 0.000 -35.267 16.788) 39.059 14.285 ( -0.000 1.444 5.445) 5.633 15.052 ( 0.000 -1.687 -9.392) 9.543 15.651 ( 0.000 -5.624 8.574) 10.254 15.713 ( -0.000 1.535 5.373) 5.588 16.104 ( 0.000 -28.723 14.661) 32.248 16.189 ( -0.000 0.277 -10.523) 10.526 16.377 ( -0.000 1.164 -8.525) 8.604 16.542 ( 0.000 -7.297 8.525) 11.222 16.820 ( -0.000 1.742 0.705) 1.880 17.278 ( 0.000 -4.491 6.213) 7.666 17.376 ( -0.000 3.451 8.940) 9.583 17.643 ( 0.000 -0.036 15.295) 15.295 18.111 ( -0.000 1.599 -6.852) 7.036 18.348 ( -0.000 24.448 -19.032) 30.983 ======================= Grid point 11 (7/65) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 4.670 16.438 27.507) 32.383 1.497 ( 10.283 16.036 25.730) 32.015 2.583 ( 11.793 19.086 45.765) 50.969 3.242 ( -14.024 -7.002 -8.045) 17.619 3.320 ( -12.470 -4.951 -4.895) 14.282 3.493 ( 3.541 -2.861 3.155) 5.538 3.601 ( 1.378 3.343 2.631) 4.472 3.714 ( 5.159 1.598 -0.446) 5.420 3.773 ( 3.256 1.315 -6.587) 7.465 3.976 ( 5.895 -2.212 -5.475) 8.344 4.037 ( 2.003 -0.456 9.649) 9.865 4.168 ( 0.176 6.374 -5.245) 8.257 4.472 ( -2.390 -3.367 -6.333) 7.560 4.553 ( -0.791 -2.111 1.784) 2.874 4.660 ( -4.389 -0.632 -1.340) 4.632 4.932 ( -1.210 -5.684 29.681) 30.245 5.050 ( -7.352 -3.280 -6.970) 10.648 5.129 ( -7.947 -2.758 5.642) 10.129 5.243 ( -5.544 1.600 0.659) 5.807 5.402 ( 5.169 -1.449 -10.138) 11.471 5.577 ( 8.506 3.592 -2.338) 9.525 5.654 ( 4.723 4.042 -0.466) 6.234 5.832 ( 11.964 13.267 -15.877) 23.901 5.877 ( 1.887 3.768 -9.615) 10.498 6.273 ( -1.989 -4.296 -14.245) 15.012 6.295 ( -3.363 -7.043 -3.173) 8.425 6.503 ( 1.284 -1.700 2.963) 3.649 6.637 ( 2.075 6.491 5.045) 8.479 7.104 ( -0.567 -6.573 -19.544) 20.628 7.260 ( -3.537 2.234 -19.634) 20.075 7.810 ( 2.721 4.965 5.298) 7.754 8.368 ( -2.279 -2.065 9.760) 10.233 8.752 ( -1.736 -5.529 19.739) 20.572 8.982 ( -3.306 0.007 14.799) 15.163 9.067 ( 0.522 -0.591 9.264) 9.297 9.398 ( -1.641 -8.642 -0.328) 8.803 9.451 ( -3.644 -5.674 -2.268) 7.115 9.783 ( 6.566 4.711 -7.582) 11.081 10.219 ( -0.063 0.382 -3.989) 4.008 10.294 ( -0.499 1.489 -2.366) 2.840 10.689 ( -2.395 -7.573 2.376) 8.290 10.763 ( 3.257 -5.165 -4.941) 7.855 10.963 ( -3.112 3.549 1.801) 5.052 11.002 ( 0.058 4.716 -3.616) 5.943 11.170 ( 2.562 -0.577 -0.125) 2.629 11.242 ( 0.109 3.315 -1.110) 3.498 11.627 ( 0.013 -3.703 7.909) 8.733 11.737 ( -4.654 1.456 10.653) 11.716 11.880 ( -1.632 -1.165 -9.666) 9.871 11.909 ( -1.976 0.390 -11.628) 11.801 12.517 ( 11.667 12.090 -11.503) 20.362 13.741 ( -13.153 -22.806 11.509) 28.732 14.380 ( 1.537 2.414 6.997) 7.559 14.903 ( -1.563 -2.015 -12.048) 12.315 15.707 ( -0.548 -3.049 7.491) 8.106 15.775 ( -1.774 2.245 4.233) 5.109 16.036 ( -2.587 -11.105 7.266) 13.520 16.098 ( 2.233 0.142 -7.448) 7.777 16.278 ( -2.271 2.625 -8.580) 9.256 16.525 ( -8.931 -3.859 8.201) 12.724 16.848 ( 1.671 1.465 2.250) 3.162 17.217 ( -7.977 -2.146 2.655) 8.677 17.633 ( 11.839 -0.106 11.094) 16.225 17.827 ( 0.974 -0.071 15.716) 15.746 18.038 ( 0.055 2.203 -8.368) 8.653 18.341 ( 4.192 10.084 -14.373) 18.051 ======================= Grid point 12 (8/65) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 9.811 13.983 25.687) 30.847 2.026 ( 12.215 14.472 21.117) 28.365 2.834 ( -20.317 -8.890 -11.948) 25.191 2.957 ( -17.820 -7.327 -8.829) 21.195 3.276 ( 6.263 12.725 20.850) 25.217 3.573 ( 1.986 -0.919 5.725) 6.128 3.680 ( 1.767 0.566 2.023) 2.745 3.763 ( -2.231 0.809 1.480) 2.797 3.838 ( 13.650 3.995 1.606) 14.313 4.027 ( 9.121 0.996 -1.566) 9.308 4.163 ( 3.017 1.122 2.135) 3.863 4.187 ( 1.309 3.448 4.052) 5.479 4.290 ( -5.421 -2.925 -11.552) 13.092 4.548 ( -0.888 -2.596 1.141) 2.972 4.557 ( -6.287 -0.680 -2.011) 6.635 4.805 ( -10.843 -5.701 -6.635) 13.932 5.038 ( -3.838 2.564 -8.781) 9.920 5.138 ( -5.686 -2.677 7.041) 9.438 5.182 ( 0.100 0.574 -23.943) 23.950 5.339 ( -1.950 -3.178 35.347) 35.543 5.707 ( 11.159 0.179 0.094) 11.160 5.769 ( 5.822 2.094 -0.297) 6.194 5.852 ( 7.488 5.053 -14.675) 17.233 5.922 ( 3.283 5.644 -2.624) 7.037 6.105 ( -1.778 -5.048 -0.856) 5.419 6.192 ( -2.162 -5.886 0.977) 6.346 6.602 ( 5.638 -1.593 9.283) 10.977 6.796 ( 1.249 7.252 7.640) 10.607 6.852 ( 0.100 -6.852 -12.686) 14.419 7.025 ( -6.040 3.126 -13.667) 15.265 7.947 ( 4.597 5.140 3.588) 7.773 8.380 ( -7.356 -3.397 6.420) 10.337 8.869 ( -0.482 -1.874 -16.131) 16.247 8.921 ( -0.871 -2.610 10.738) 11.085 9.112 ( -4.733 -3.167 11.425) 12.766 9.159 ( -3.869 -3.876 -16.273) 17.170 9.669 ( 7.609 -3.228 16.669) 18.606 9.721 ( 5.223 -1.247 -15.459) 16.365 10.180 ( 1.231 -0.422 -3.543) 3.774 10.269 ( -1.952 -0.196 1.963) 2.775 10.671 ( 0.443 -1.270 -3.887) 4.113 10.696 ( -2.166 -1.711 1.869) 3.333 10.966 ( 0.048 -0.156 -3.590) 3.593 11.005 ( 0.219 1.002 4.149) 4.274 11.211 ( 2.578 1.332 -0.399) 2.929 11.272 ( -0.272 3.716 1.046) 3.870 11.670 ( -0.961 -0.912 -0.204) 1.341 11.736 ( -0.746 -0.385 -7.564) 7.610 11.776 ( -1.772 -0.256 -2.702) 3.241 11.817 ( -6.622 3.030 10.520) 12.795 12.656 ( 15.272 9.422 -10.661) 20.872 13.534 ( -14.041 -15.644 8.926) 22.838 14.520 ( 3.365 2.941 8.475) 9.581 14.718 ( -2.602 -1.929 -12.551) 12.962 15.746 ( -0.752 -0.543 2.062) 2.261 15.776 ( -2.352 0.853 -0.629) 2.580 16.042 ( 1.320 -4.732 1.097) 5.034 16.086 ( 1.902 -0.205 1.437) 2.393 16.189 ( -2.241 4.727 -3.820) 6.478 16.470 ( -9.885 -2.371 8.427) 13.204 16.931 ( 3.476 0.951 4.093) 5.453 17.120 ( -6.703 -1.936 0.025) 6.977 17.846 ( 7.430 -3.370 1.112) 8.234 17.935 ( -0.776 -0.034 0.555) 0.955 18.070 ( 5.364 3.411 10.213) 12.030 18.262 ( -1.299 4.523 -11.151) 12.104 ======================= Grid point 13 (9/65) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -23.104 -9.225 -13.479) 28.294 2.424 ( 3.733 7.016 11.398) 13.895 2.499 ( -13.034 -1.102 -2.356) 13.291 2.507 ( 9.557 11.371 14.138) 20.506 3.458 ( 1.920 1.828 -2.320) 3.523 3.625 ( -4.036 -0.260 3.490) 5.342 3.641 ( -11.412 -2.398 -5.793) 13.021 3.784 ( 1.817 0.782 7.403) 7.663 3.996 ( 4.186 -2.198 -6.936) 8.394 4.079 ( 2.304 2.941 -6.565) 7.554 4.182 ( 4.192 -3.778 1.408) 5.816 4.282 ( 1.711 1.170 7.293) 7.582 4.368 ( 12.832 9.323 10.550) 19.049 4.408 ( -6.271 -0.385 -8.593) 10.645 4.509 ( -2.258 -3.033 -2.069) 4.310 4.584 ( -10.175 -4.907 0.369) 11.302 4.791 ( -0.580 0.744 -20.293) 20.315 5.027 ( -0.984 1.086 -7.131) 7.280 5.126 ( -2.935 1.658 3.499) 4.859 5.723 ( -2.895 -5.093 8.366) 10.213 5.753 ( 2.697 0.947 -8.153) 8.639 5.787 ( 3.606 0.714 17.378) 17.763 5.885 ( 7.909 1.266 -0.683) 8.039 5.944 ( 3.317 4.241 -1.146) 5.505 6.148 ( 2.495 -4.950 8.641) 10.266 6.210 ( 0.261 -1.383 10.435) 10.530 6.646 ( -0.248 -8.477 -7.233) 11.146 6.835 ( 2.269 0.286 8.189) 8.502 6.852 ( 0.161 2.065 0.560) 2.146 7.032 ( 2.111 9.339 14.868) 17.684 8.079 ( 5.483 4.647 1.108) 7.272 8.274 ( -12.112 -4.556 3.089) 13.304 8.596 ( 0.970 -0.887 -24.791) 24.826 8.839 ( -0.540 -0.790 -24.319) 24.338 9.107 ( 2.044 -1.109 11.720) 11.948 9.148 ( 0.818 -0.138 1.391) 1.620 9.427 ( 0.361 -6.430 -27.106) 27.861 10.003 ( 10.380 -5.174 17.500) 20.995 10.157 ( 1.128 0.357 -4.172) 4.336 10.287 ( -2.798 -1.108 6.570) 7.226 10.559 ( -1.910 2.229 -9.687) 10.122 10.754 ( -1.333 3.698 6.414) 7.523 10.904 ( 0.067 -0.808 -5.697) 5.754 11.064 ( 2.932 -6.186 4.033) 7.945 11.241 ( 1.293 1.622 -0.269) 2.092 11.296 ( -2.365 3.003 0.987) 3.948 11.563 ( 0.039 3.312 -12.264) 12.703 11.676 ( -2.925 2.598 -2.269) 4.522 11.820 ( 0.332 -1.893 9.898) 10.083 11.899 ( -4.295 2.349 12.286) 13.225 12.781 ( 14.844 6.778 -13.336) 21.075 13.345 ( -13.840 -11.417 7.335) 19.383 14.534 ( -2.866 -1.426 -10.884) 11.345 14.699 ( 4.932 2.984 9.168) 10.829 15.691 ( -2.181 0.506 -6.109) 6.506 15.762 ( -0.853 0.443 -0.651) 1.161 15.957 ( -1.576 -1.473 -7.975) 8.261 16.174 ( 1.878 -1.208 8.166) 8.466 16.232 ( 1.823 3.963 3.506) 5.597 16.436 ( -9.107 -1.183 9.992) 13.572 16.986 ( -1.807 -2.665 -2.210) 3.905 17.064 ( -1.038 1.714 5.712) 6.053 17.768 ( 0.973 -0.877 -12.970) 13.036 17.970 ( 1.967 -5.392 -5.083) 7.667 18.118 ( -3.658 3.031 -0.828) 4.822 18.340 ( 4.619 3.211 13.108) 14.264 ======================= Grid point 14 (10/65) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -25.395 -8.664 -14.483) 30.492 1.904 ( -26.597 -5.175 -18.579) 32.854 2.887 ( 11.755 8.746 11.758) 18.786 2.918 ( 7.898 8.235 13.545) 17.711 3.154 ( -31.354 -6.128 -11.680) 34.015 3.452 ( 0.910 0.033 -2.389) 2.557 3.593 ( -0.653 0.735 -4.826) 4.925 3.856 ( -0.461 -3.936 2.675) 4.782 3.921 ( -0.915 -1.713 -3.338) 3.862 4.099 ( -4.496 -5.211 -0.132) 6.884 4.165 ( 1.018 2.878 -3.069) 4.329 4.240 ( 0.024 -4.748 0.023) 4.749 4.377 ( 3.925 1.439 -17.704) 18.191 4.394 ( 4.995 1.753 2.524) 5.865 4.515 ( -1.113 3.194 1.690) 3.781 4.676 ( -3.797 -1.792 2.326) 4.800 4.759 ( 11.911 7.335 10.914) 17.743 4.971 ( 2.822 -2.541 -4.751) 6.082 5.154 ( -2.214 4.973 2.000) 5.800 5.583 ( -1.256 -0.517 -11.236) 11.318 5.659 ( -0.270 -1.666 -9.181) 9.335 5.876 ( -3.406 -3.442 1.281) 5.009 6.004 ( 9.863 4.050 -2.927) 11.057 6.147 ( -0.084 -3.427 15.666) 16.037 6.336 ( 1.355 2.103 12.466) 12.714 6.396 ( 3.305 1.148 27.129) 27.354 6.548 ( -1.799 -6.617 2.649) 7.351 6.769 ( -3.821 -0.007 5.936) 7.059 7.166 ( 9.570 -1.513 20.611) 22.775 7.345 ( 3.292 9.620 21.538) 23.817 8.089 ( -13.577 -4.225 0.622) 14.233 8.161 ( 3.365 1.858 -3.422) 5.146 8.338 ( 3.953 0.575 -25.818) 26.125 8.553 ( 3.344 1.874 -27.309) 27.576 9.001 ( 2.065 -5.440 -34.686) 35.170 9.161 ( 5.501 2.684 -10.410) 12.076 9.303 ( 0.093 -1.313 15.718) 15.773 10.091 ( -3.143 -1.117 -5.049) 6.052 10.231 ( 8.333 -4.494 2.926) 9.910 10.306 ( 1.254 -9.696 7.988) 12.625 10.497 ( -1.807 10.671 -3.678) 11.431 10.792 ( -1.328 4.736 -3.575) 6.080 10.901 ( 1.715 1.398 4.767) 5.255 11.070 ( 3.439 -8.659 0.475) 9.329 11.262 ( -2.335 -1.115 0.480) 2.631 11.280 ( -1.953 3.340 1.547) 4.167 11.485 ( 2.187 3.799 -9.119) 10.118 11.629 ( -5.092 2.547 -0.710) 5.738 11.936 ( 2.048 -1.581 8.878) 9.248 12.015 ( -2.593 2.489 11.979) 12.506 12.823 ( 14.110 4.829 -20.528) 25.374 13.165 ( -14.540 -8.392 6.222) 17.904 14.384 ( -2.571 -0.774 -7.539) 8.002 14.889 ( 5.493 2.378 8.063) 10.041 15.580 ( -2.773 -0.235 -7.789) 8.271 15.732 ( -1.514 1.206 -2.788) 3.395 15.841 ( -0.863 -0.996 -7.162) 7.283 16.277 ( 0.755 -2.412 8.793) 9.149 16.333 ( 2.604 3.068 3.556) 5.371 16.450 ( -6.728 1.090 10.680) 12.670 16.886 ( -3.555 -2.237 -3.452) 5.437 17.156 ( 0.120 1.693 6.694) 6.906 17.615 ( -0.115 -0.547 -13.290) 13.301 17.770 ( -3.779 -4.660 -15.185) 16.328 18.155 ( -1.772 0.825 6.213) 6.513 18.558 ( 4.200 1.399 11.488) 12.311 ======================= Grid point 15 (11/65) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -26.222 -6.024 -14.815) 30.714 1.320 ( -29.848 -2.200 -12.921) 32.600 2.311 ( -47.620 -10.018 -16.317) 51.326 3.164 ( 10.193 5.153 2.624) 11.719 3.318 ( 8.205 5.969 11.187) 15.102 3.470 ( 1.106 0.294 2.781) 3.007 3.549 ( 0.866 1.320 -2.586) 3.030 3.775 ( 0.794 -4.938 -7.624) 9.118 3.864 ( -3.875 -1.575 0.976) 4.295 3.959 ( -9.301 -1.832 0.043) 9.480 4.196 ( 1.939 0.329 1.211) 2.310 4.248 ( 3.172 -1.376 -5.568) 6.554 4.292 ( 5.577 0.407 -5.286) 7.695 4.449 ( 2.186 0.257 -0.712) 2.313 4.641 ( -1.310 1.906 7.399) 7.752 4.682 ( 2.069 6.252 5.266) 8.432 4.904 ( -0.846 -1.552 -8.171) 8.360 4.952 ( 8.744 -5.921 -2.477) 10.847 5.241 ( 2.099 5.750 8.931) 10.828 5.479 ( -2.381 4.999 -6.538) 8.568 5.536 ( -1.345 -3.056 -6.250) 7.086 5.757 ( -7.803 -5.768 -1.170) 9.774 6.181 ( 13.284 3.844 0.920) 13.859 6.252 ( 0.955 -1.862 7.109) 7.410 6.431 ( 2.130 3.985 -1.408) 4.733 6.493 ( -2.604 -1.608 1.244) 3.303 6.819 ( 0.906 -2.065 34.390) 34.464 6.940 ( -3.527 -1.532 32.525) 32.751 7.528 ( 8.730 -1.617 24.050) 25.636 7.733 ( 2.962 7.607 25.519) 26.793 7.892 ( -12.265 -2.381 0.707) 12.514 8.050 ( 0.133 -1.423 -18.270) 18.326 8.122 ( 5.656 2.018 -25.457) 26.155 8.413 ( 6.526 2.666 -11.926) 13.854 8.574 ( 0.101 -5.208 -33.309) 33.713 9.070 ( 7.267 2.160 -25.792) 26.883 9.481 ( 2.548 1.599 11.048) 11.450 9.944 ( -5.499 -3.798 -6.175) 9.099 10.218 ( 2.162 -2.937 -3.776) 5.250 10.399 ( -1.626 2.011 5.240) 5.843 10.534 ( 7.552 -2.943 -1.486) 8.241 10.809 ( 0.233 9.778 -0.761) 9.810 10.977 ( 0.364 -3.085 3.279) 4.517 11.073 ( 4.222 -2.389 1.206) 4.999 11.190 ( -5.001 -0.750 -1.562) 5.293 11.325 ( -0.226 -0.131 5.142) 5.149 11.454 ( 3.150 2.256 -6.689) 7.730 11.569 ( -4.354 1.306 -1.193) 4.700 12.036 ( 2.778 -0.640 4.339) 5.192 12.109 ( -3.623 0.604 7.865) 8.681 12.748 ( 12.222 3.043 -27.433) 30.186 12.978 ( -15.872 -5.012 4.132) 17.150 14.285 ( -2.300 -0.355 -3.616) 4.300 15.046 ( 4.863 1.249 4.794) 6.942 15.447 ( -3.493 -0.557 -7.329) 8.138 15.685 ( -2.100 0.889 -2.319) 3.252 15.766 ( 0.605 -0.619 -4.623) 4.703 16.350 ( -1.250 -2.141 7.172) 7.588 16.418 ( 2.902 1.955 1.745) 3.910 16.505 ( -3.653 1.606 7.619) 8.601 16.801 ( -2.045 -0.697 -2.457) 3.272 17.233 ( -1.696 1.398 6.527) 6.887 17.462 ( -2.429 -1.634 -10.350) 10.757 17.521 ( -3.304 -2.721 -12.250) 12.977 18.194 ( -1.376 0.084 3.398) 3.667 18.730 ( 3.290 0.378 9.194) 9.773 ======================= Grid point 16 (12/65) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -28.143 -0.000 0.000) 28.143 0.832 ( -31.849 -0.000 0.000) 31.849 1.467 ( -55.498 -0.000 0.000) 55.498 3.312 ( 8.972 0.000 -0.000) 8.972 3.465 ( 3.207 0.000 -0.000) 3.207 3.490 ( -0.820 -0.000 0.000) 0.820 3.606 ( 2.076 0.000 -0.000) 2.076 3.716 ( 3.910 0.000 -0.000) 3.910 3.829 ( -2.223 -0.000 0.000) 2.223 3.847 ( -5.745 -0.000 0.000) 5.745 4.222 ( 2.694 0.000 -0.000) 2.694 4.249 ( 2.722 0.000 -0.000) 2.722 4.319 ( 0.403 0.000 -0.000) 0.403 4.474 ( 2.725 0.000 -0.000) 2.725 4.623 ( -7.548 -0.000 0.000) 7.548 4.745 ( -5.003 -0.000 0.000) 5.003 4.914 ( 10.858 0.000 -0.000) 10.858 4.982 ( 7.784 0.000 -0.000) 7.784 5.393 ( 2.037 0.000 -0.000) 2.037 5.400 ( -3.588 -0.000 0.000) 3.588 5.463 ( -2.370 -0.000 0.000) 2.370 5.609 ( -8.571 -0.000 0.000) 8.571 6.294 ( 0.217 0.000 -0.000) 0.217 6.389 ( 12.321 0.000 -0.000) 12.321 6.454 ( 1.983 0.000 -0.000) 1.983 6.478 ( 0.247 0.000 -0.000) 0.247 7.060 ( 0.142 0.000 -0.000) 0.142 7.283 ( 5.145 0.000 -0.000) 5.145 7.712 ( -9.959 -0.000 0.000) 9.959 7.879 ( 4.148 0.000 -0.000) 4.148 7.912 ( 4.412 0.000 -0.000) 4.412 7.940 ( 4.914 0.000 -0.000) 4.914 8.128 ( 0.591 0.000 -0.000) 0.591 8.178 ( 0.300 0.000 -0.000) 0.300 8.458 ( 5.567 0.000 -0.000) 5.567 8.836 ( -1.949 -0.000 0.000) 1.949 9.604 ( 2.456 0.000 -0.000) 2.456 9.805 ( -4.390 -0.000 0.000) 4.390 10.210 ( 2.095 0.000 -0.000) 2.095 10.355 ( -7.776 -0.000 0.000) 7.776 10.661 ( 12.673 0.000 -0.000) 12.673 10.870 ( 0.069 0.000 -0.000) 0.069 10.956 ( -0.619 -0.000 0.000) 0.619 11.073 ( -7.315 -0.000 0.000) 7.315 11.180 ( 7.159 0.000 -0.000) 7.159 11.362 ( -1.083 -0.000 0.000) 1.083 11.457 ( 3.762 0.000 -0.000) 3.762 11.523 ( -1.587 -0.000 0.000) 1.587 12.080 ( -5.953 -0.000 0.000) 5.953 12.097 ( 3.188 0.000 -0.000) 3.188 12.646 ( 4.551 0.000 -0.000) 4.551 12.771 ( -16.287 -0.000 0.000) 16.287 14.235 ( -2.030 -0.000 0.000) 2.030 15.134 ( 3.446 0.000 -0.000) 3.446 15.340 ( -3.899 -0.000 0.000) 3.899 15.650 ( -1.470 -0.000 0.000) 1.470 15.743 ( 0.675 0.000 -0.000) 0.675 16.367 ( -1.541 -0.000 0.000) 1.541 16.472 ( 2.285 0.000 -0.000) 2.285 16.521 ( -1.921 -0.000 0.000) 1.921 16.775 ( -0.169 -0.000 0.000) 0.169 17.281 ( -3.548 -0.000 0.000) 3.548 17.287 ( -3.838 -0.000 0.000) 3.838 17.431 ( -0.269 -0.000 0.000) 0.269 18.198 ( -1.053 -0.000 0.000) 1.053 18.845 ( 3.608 0.000 -0.000) 3.608 ======================= Grid point 19 (13/65) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -0.000 17.192 24.694) 30.089 1.836 ( -0.000 14.429 26.714) 30.362 3.087 ( -0.000 9.688 25.422) 27.205 3.321 ( 0.000 -8.388 -2.786) 8.839 3.326 ( 0.000 -2.436 -4.698) 5.292 3.440 ( -0.000 6.733 11.845) 13.625 3.519 ( 0.000 -3.450 -13.711) 14.139 3.649 ( -0.000 1.834 -0.389) 1.875 3.783 ( -0.000 2.081 6.179) 6.520 3.899 ( -0.000 1.502 0.103) 1.506 4.127 ( -0.000 0.991 1.034) 1.432 4.179 ( -0.000 3.159 5.640) 6.464 4.380 ( 0.000 -3.731 -7.751) 8.602 4.551 ( 0.000 -2.120 -1.327) 2.501 4.683 ( 0.000 -0.656 -0.245) 0.701 4.870 ( -0.000 2.190 -27.355) 27.443 5.155 ( -0.000 1.447 3.643) 3.920 5.236 ( 0.000 -5.557 4.436) 7.110 5.318 ( 0.000 -3.785 9.406) 10.139 5.399 ( 0.000 -1.170 -7.251) 7.345 5.434 ( 0.000 -3.794 21.704) 22.033 5.547 ( -0.000 3.931 -7.430) 8.406 5.760 ( -0.000 9.246 -5.979) 11.011 5.886 ( -0.000 6.992 -2.742) 7.510 6.133 ( 0.000 -6.923 -2.942) 7.522 6.214 ( 0.000 -7.454 -3.937) 8.430 6.534 ( 0.000 -1.069 6.974) 7.055 6.768 ( -0.000 9.436 9.419) 13.333 6.850 ( 0.000 -6.777 -16.377) 17.724 7.109 ( -0.000 2.569 -14.168) 14.399 7.894 ( -0.000 3.898 5.885) 7.059 8.478 ( 0.000 -1.951 8.836) 9.048 8.893 ( 0.000 -3.820 10.619) 11.285 8.914 ( -0.000 -2.491 -19.709) 19.866 9.219 ( 0.000 -5.137 -18.248) 18.957 9.227 ( 0.000 -4.527 10.923) 11.824 9.533 ( 0.000 -5.106 17.713) 18.434 9.636 ( -0.000 -1.935 -13.588) 13.725 10.176 ( -0.000 1.437 -4.771) 4.983 10.295 ( -0.000 2.536 -0.822) 2.666 10.599 ( 0.000 -7.505 -4.916) 8.972 10.710 ( 0.000 -5.692 4.909) 7.516 11.032 ( -0.000 8.236 -2.245) 8.536 11.039 ( -0.000 3.657 0.946) 3.778 11.147 ( 0.000 -0.727 1.028) 1.260 11.258 ( -0.000 2.451 0.855) 2.595 11.679 ( 0.000 -2.737 4.259) 5.062 11.741 ( -0.000 -1.263 -12.301) 12.366 11.814 ( -0.000 0.188 -1.529) 1.540 11.964 ( -0.000 3.645 11.190) 11.769 12.401 ( -0.000 11.405 -9.470) 14.824 13.732 ( 0.000 -19.171 3.784) 19.541 14.473 ( -0.000 3.157 7.536) 8.171 14.753 ( -0.000 -1.699 -13.290) 13.399 15.762 ( 0.000 -1.290 4.262) 4.453 15.818 ( -0.000 1.852 -2.609) 3.200 16.022 ( 0.000 -6.411 2.474) 6.872 16.033 ( -0.000 1.821 -1.343) 2.263 16.242 ( -0.000 1.923 -3.693) 4.163 16.685 ( 0.000 -5.253 12.589) 13.641 16.839 ( -0.000 1.765 -0.853) 1.960 17.323 ( 0.000 -7.542 4.886) 8.986 17.605 ( -0.000 1.997 3.541) 4.066 17.961 ( -0.000 2.829 -8.547) 9.003 17.988 ( 0.000 -0.441 13.744) 13.751 18.279 ( -0.000 8.533 -6.662) 10.826 ======================= Grid point 20 (14/65) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 3.345 13.409 24.319) 27.972 2.265 ( 5.358 13.965 21.304) 26.031 2.935 ( -22.184 -7.943 -9.718) 25.489 3.056 ( -18.195 -3.901 -6.823) 19.819 3.374 ( 6.135 -1.732 -5.717) 8.562 3.481 ( 14.344 -1.654 0.507) 14.448 3.647 ( 1.146 0.190 -1.096) 1.597 3.845 ( 1.342 4.492 7.237) 8.623 3.883 ( 3.542 9.085 15.540) 18.346 3.974 ( 4.883 4.775 4.207) 8.022 4.127 ( 0.918 2.407 -2.075) 3.308 4.226 ( -4.004 -2.617 -6.218) 7.845 4.286 ( -0.584 -0.568 8.341) 8.381 4.421 ( 1.404 0.357 -21.757) 21.806 4.611 ( -4.916 -0.852 -0.502) 5.014 4.720 ( 2.266 -1.843 -3.542) 4.591 5.036 ( -12.799 -1.808 -4.379) 13.648 5.162 ( -8.662 0.116 -6.304) 10.713 5.222 ( -5.101 -2.515 2.408) 6.176 5.517 ( 11.497 3.088 -3.811) 12.500 5.575 ( 10.262 1.576 -5.552) 11.774 5.741 ( 2.226 3.436 -8.362) 9.311 5.813 ( -0.864 -6.448 43.459) 43.943 5.850 ( 3.678 1.393 -6.071) 7.234 6.113 ( -0.192 -5.579 -0.167) 5.585 6.167 ( 2.037 -2.571 6.491) 7.273 6.614 ( 1.530 -4.261 -6.763) 8.139 6.697 ( 2.466 -2.100 8.982) 9.548 6.978 ( -2.944 3.666 -7.510) 8.860 6.983 ( 1.091 9.161 12.564) 15.588 7.991 ( 1.460 3.056 4.690) 5.785 8.516 ( -5.427 -2.378 4.916) 7.699 8.611 ( -0.972 -4.103 -23.878) 24.247 8.883 ( -2.595 -1.481 -20.131) 20.352 8.992 ( 5.334 -0.937 -10.622) 11.923 9.209 ( -4.045 -4.603 -0.587) 6.155 9.440 ( -1.342 -9.502 -9.199) 13.293 9.733 ( 8.382 -6.221 12.152) 16.019 10.147 ( -0.717 4.205 -3.128) 5.289 10.328 ( 0.709 4.389 2.042) 4.893 10.513 ( 2.264 -7.899 -4.578) 9.406 10.748 ( 1.355 -1.546 4.637) 5.072 11.021 ( -5.722 5.234 -1.855) 7.974 11.036 ( -1.091 -0.933 -0.829) 1.658 11.189 ( 2.362 1.100 1.643) 3.080 11.303 ( 1.463 2.401 1.695) 3.283 11.579 ( -0.789 0.965 -13.400) 13.458 11.701 ( 0.402 3.512 0.234) 3.543 11.848 ( -1.582 -2.225 8.780) 9.195 12.069 ( -6.934 3.355 11.506) 13.846 12.462 ( 9.210 7.019 -5.530) 12.832 13.600 ( -5.161 -14.092 2.201) 15.168 14.586 ( -1.050 -1.116 -12.404) 12.499 14.599 ( 2.241 3.269 7.668) 8.632 15.758 ( -2.107 1.017 -4.738) 5.284 15.782 ( -0.441 0.011 -0.459) 0.637 15.998 ( -1.701 -2.240 -1.282) 3.091 16.079 ( 3.804 2.369 1.476) 4.718 16.244 ( -0.880 1.079 3.944) 4.183 16.704 ( -10.123 -1.140 9.811) 14.143 16.915 ( 5.429 -0.027 3.999) 6.743 17.232 ( -8.924 -4.813 2.902) 10.546 17.676 ( 6.895 -1.773 -6.152) 9.409 17.890 ( 2.274 0.690 -8.329) 8.661 18.133 ( 1.327 0.028 9.031) 9.128 18.294 ( -0.748 6.009 2.217) 6.449 ======================= Grid point 21 (15/65) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -24.511 -7.028 -13.166) 28.697 2.529 ( -11.372 0.051 -3.618) 11.934 2.674 ( 6.303 12.060 17.843) 22.440 2.730 ( -7.598 5.816 12.482) 15.728 3.392 ( 4.618 -0.648 -2.960) 5.523 3.577 ( 1.339 -0.350 -4.708) 4.907 3.710 ( 11.050 -1.647 2.271) 11.401 3.905 ( -7.400 0.132 3.943) 8.386 3.914 ( -7.431 -2.771 -9.545) 12.410 4.011 ( 2.013 4.736 -1.433) 5.342 4.093 ( 3.217 -2.684 0.590) 4.231 4.217 ( 3.461 2.236 -18.634) 19.084 4.334 ( -1.130 -2.002 3.907) 4.533 4.467 ( 9.197 10.163 15.917) 21.005 4.531 ( -7.143 -2.265 -0.207) 7.497 4.719 ( -0.869 -3.413 4.398) 5.634 4.741 ( -18.096 -2.804 -3.164) 18.583 5.002 ( -4.651 1.254 -6.941) 8.449 5.197 ( -1.323 0.338 2.216) 2.603 5.520 ( 5.411 0.762 -12.774) 13.894 5.610 ( 4.265 0.141 -8.572) 9.575 5.702 ( 7.068 -0.006 -7.109) 10.024 5.988 ( 0.956 3.762 2.832) 4.805 6.047 ( 7.693 -3.386 6.425) 10.580 6.265 ( 3.395 -2.341 6.394) 7.608 6.326 ( 1.604 -1.755 40.487) 40.557 6.519 ( 3.042 -6.893 -0.818) 7.578 6.869 ( -4.438 2.565 -4.328) 6.709 6.940 ( 6.656 0.546 18.164) 19.353 7.269 ( 2.390 10.042 19.174) 21.776 8.079 ( 2.347 1.828 2.580) 3.938 8.277 ( 0.266 -2.501 -25.101) 25.227 8.440 ( -10.178 -3.714 -0.839) 10.867 8.538 ( -2.746 0.033 -26.836) 26.976 8.857 ( 7.092 -3.238 -29.514) 30.526 9.107 ( -0.993 -1.081 -7.075) 7.226 9.339 ( -1.659 -7.939 8.403) 11.679 9.915 ( 12.355 -5.608 4.260) 14.221 10.130 ( -1.777 4.421 -3.399) 5.853 10.383 ( -3.881 -11.565 4.067) 12.859 10.455 ( 5.429 10.234 -5.193) 12.696 10.819 ( 2.854 0.855 3.231) 4.395 10.944 ( -7.697 2.694 -0.786) 8.192 10.996 ( 1.698 -6.178 -1.555) 6.593 11.239 ( 1.215 -0.475 2.779) 3.070 11.353 ( -0.090 2.979 1.088) 3.173 11.448 ( 0.244 3.761 -11.409) 12.016 11.751 ( -2.470 7.040 2.411) 7.841 11.915 ( -0.945 -4.446 9.726) 10.736 12.129 ( -6.159 2.964 11.070) 13.010 12.550 ( 8.118 3.181 -7.399) 11.436 13.454 ( -7.360 -9.351 2.150) 12.092 14.438 ( -1.434 -0.476 -9.320) 9.441 14.750 ( 4.515 2.719 6.819) 8.619 15.672 ( -3.372 0.559 -4.740) 5.844 15.765 ( -0.970 0.973 -1.557) 2.077 15.909 ( -3.962 -1.039 -4.636) 6.186 16.182 ( 5.222 1.716 2.928) 6.228 16.310 ( 0.078 0.089 6.479) 6.480 16.682 ( -9.888 1.652 9.443) 13.772 16.974 ( -1.939 -4.118 1.336) 4.744 17.177 ( -2.710 0.815 6.811) 7.376 17.604 ( 1.242 -0.564 -11.559) 11.640 17.800 ( 1.594 -3.602 -11.735) 12.379 18.206 ( -1.553 0.910 4.913) 5.233 18.424 ( 4.484 3.131 8.032) 9.718 ======================= Grid point 22 (16/65) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -26.409 -4.329 -11.931) 29.301 2.091 ( -28.432 -2.565 -7.672) 29.561 2.955 ( 5.171 7.087 8.670) 12.334 3.061 ( 6.073 6.379 15.055) 17.442 3.426 ( 2.384 0.863 1.107) 2.767 3.466 ( -24.293 -0.892 -4.003) 24.637 3.545 ( -6.088 -1.879 -7.875) 10.129 3.780 ( -2.421 -4.114 -2.854) 5.562 3.935 ( 0.371 -1.576 1.449) 2.173 4.050 ( 8.936 0.921 -4.165) 9.902 4.103 ( 4.049 -1.492 -7.881) 8.985 4.114 ( 1.563 -1.687 0.162) 2.305 4.333 ( -8.174 2.104 -1.240) 8.531 4.386 ( -1.661 0.151 0.120) 1.673 4.589 ( -3.089 1.215 2.527) 4.172 4.709 ( 4.015 -4.947 3.513) 7.276 4.812 ( 2.074 3.472 7.774) 8.763 4.909 ( -1.708 2.053 -3.493) 4.396 5.228 ( -0.501 1.592 4.176) 4.497 5.445 ( 3.980 1.123 -10.954) 11.709 5.543 ( 1.291 -1.802 -5.830) 6.237 5.789 ( 11.956 1.146 -1.561) 12.112 5.925 ( -1.519 -4.222 -3.780) 5.867 6.213 ( 1.530 1.718 4.576) 5.122 6.373 ( 3.374 3.798 0.734) 5.132 6.573 ( 2.218 -3.698 6.023) 7.407 6.737 ( 3.937 -2.883 22.565) 23.087 6.896 ( 1.055 1.670 18.516) 18.621 7.265 ( 10.120 0.020 18.928) 21.464 7.631 ( 4.024 9.485 23.182) 25.369 8.011 ( 1.981 -0.905 -20.787) 20.900 8.064 ( -0.926 -2.610 -13.586) 13.865 8.239 ( -1.506 0.260 -6.700) 6.872 8.287 ( -8.177 0.414 -6.831) 10.663 8.517 ( 3.369 -6.187 -33.112) 33.853 8.997 ( -0.032 0.269 -10.712) 10.716 9.416 ( 2.495 -2.925 8.696) 9.508 10.060 ( 2.582 5.740 -4.493) 7.734 10.103 ( 5.941 -3.207 1.063) 6.834 10.241 ( -1.481 -11.053 -2.202) 11.367 10.576 ( 1.324 8.621 1.102) 8.791 10.855 ( -5.906 2.598 0.093) 6.453 10.912 ( 4.742 0.334 1.984) 5.151 10.960 ( 2.453 -6.458 -1.146) 7.003 11.284 ( 0.753 -2.699 4.840) 5.592 11.348 ( -3.464 2.359 -1.011) 4.311 11.391 ( 1.978 4.037 -7.022) 8.338 11.755 ( -7.992 4.118 2.022) 9.215 11.974 ( 1.617 -2.550 4.635) 5.531 12.214 ( -4.040 1.725 11.304) 12.128 12.538 ( 5.212 1.015 -11.821) 12.959 13.316 ( -9.537 -4.830 1.912) 10.860 14.337 ( -1.490 -0.088 -4.639) 4.874 14.900 ( 5.849 1.509 4.220) 7.369 15.572 ( -5.129 0.004 -3.261) 6.078 15.741 ( -1.488 1.434 -1.199) 2.390 15.798 ( -3.684 -1.216 -3.748) 5.394 16.294 ( 5.119 0.931 2.806) 5.911 16.374 ( 0.459 -0.735 4.031) 4.123 16.682 ( -9.075 3.486 7.957) 12.562 16.881 ( -4.240 -4.527 -1.738) 6.441 17.278 ( -1.149 2.697 9.803) 10.232 17.482 ( -0.198 0.278 -9.351) 9.358 17.617 ( -2.464 -4.424 -12.765) 13.733 18.236 ( -1.696 0.457 3.013) 3.488 18.592 ( 6.305 1.128 5.297) 8.312 ======================= Grid point 23 (17/65) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -28.084 -0.000 0.000) 28.084 1.648 ( -30.730 -0.000 0.000) 30.730 2.835 ( -47.270 -0.000 0.000) 47.270 3.100 ( 6.319 0.000 -0.000) 6.319 3.318 ( 5.990 0.000 -0.000) 5.990 3.507 ( 0.154 0.000 -0.000) 0.154 3.513 ( 4.520 0.000 -0.000) 4.520 3.661 ( -1.185 -0.000 0.000) 1.185 3.907 ( -3.176 -0.000 0.000) 3.176 4.089 ( -7.896 -0.000 0.000) 7.896 4.120 ( 5.467 0.000 -0.000) 5.467 4.173 ( 10.204 0.000 -0.000) 10.204 4.209 ( -3.486 -0.000 0.000) 3.486 4.424 ( 2.159 0.000 -0.000) 2.159 4.663 ( 5.966 0.000 -0.000) 5.966 4.764 ( 7.539 0.000 -0.000) 7.539 4.821 ( -6.491 -0.000 0.000) 6.491 4.868 ( -2.475 -0.000 0.000) 2.475 5.325 ( 1.983 0.000 -0.000) 1.983 5.391 ( 3.464 0.000 -0.000) 3.464 5.520 ( -0.079 -0.000 0.000) 0.079 5.815 ( -6.119 -0.000 0.000) 6.119 5.993 ( 16.216 0.000 -0.000) 16.216 6.263 ( 1.753 0.000 -0.000) 1.753 6.413 ( 1.362 0.000 -0.000) 1.362 6.547 ( -5.026 -0.000 0.000) 5.026 7.002 ( 10.033 0.000 -0.000) 10.033 7.097 ( 3.503 0.000 -0.000) 3.503 7.583 ( 13.860 0.000 -0.000) 13.860 7.821 ( 3.683 0.000 -0.000) 3.683 7.887 ( -1.069 -0.000 0.000) 1.069 8.040 ( -10.393 -0.000 0.000) 10.393 8.111 ( 4.742 0.000 -0.000) 4.742 8.155 ( -4.759 -0.000 0.000) 4.759 8.295 ( 6.176 0.000 -0.000) 6.176 8.896 ( -2.425 -0.000 0.000) 2.425 9.513 ( 4.343 0.000 -0.000) 4.343 9.968 ( -7.665 -0.000 0.000) 7.665 10.163 ( 1.134 0.000 -0.000) 1.134 10.291 ( 14.471 0.000 -0.000) 14.471 10.575 ( -7.026 -0.000 0.000) 7.026 10.846 ( 0.846 0.000 -0.000) 0.846 10.945 ( 1.404 0.000 -0.000) 1.404 11.001 ( 6.334 0.000 -0.000) 6.334 11.267 ( -6.202 -0.000 0.000) 6.202 11.362 ( 3.202 0.000 -0.000) 3.202 11.368 ( 0.172 0.000 -0.000) 0.172 11.665 ( -8.805 -0.000 0.000) 8.805 12.020 ( 2.665 0.000 -0.000) 2.665 12.241 ( -5.786 -0.000 0.000) 5.786 12.508 ( 5.191 0.000 -0.000) 5.191 13.167 ( -12.683 -0.000 0.000) 12.683 14.290 ( -1.829 -0.000 0.000) 1.829 15.008 ( 5.865 0.000 -0.000) 5.865 15.476 ( -6.063 -0.000 0.000) 6.063 15.714 ( -3.527 -0.000 0.000) 3.527 15.736 ( -0.278 -0.000 0.000) 0.278 16.382 ( 4.606 0.000 -0.000) 4.606 16.395 ( -0.262 -0.000 0.000) 0.262 16.641 ( -7.743 -0.000 0.000) 7.743 16.804 ( -2.239 -0.000 0.000) 2.239 17.380 ( -3.049 -0.000 0.000) 3.049 17.385 ( -2.798 -0.000 0.000) 2.798 17.450 ( -1.813 -0.000 0.000) 1.813 18.234 ( -1.617 -0.000 0.000) 1.617 18.712 ( 6.345 0.000 -0.000) 6.345 ======================= Grid point 28 (18/65) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -0.000 8.393 14.980) 17.171 2.577 ( -0.000 12.952 20.997) 24.670 2.929 ( 0.000 -7.565 -16.491) 18.144 3.183 ( 0.000 -3.052 -1.518) 3.408 3.228 ( -0.000 0.847 -0.648) 1.067 3.254 ( 0.000 -2.755 -0.956) 2.916 3.607 ( 0.000 -2.625 -4.242) 4.989 3.896 ( -0.000 0.477 -0.311) 0.569 3.976 ( -0.000 2.786 -4.889) 5.627 4.000 ( -0.000 5.270 -2.986) 6.057 4.086 ( -0.000 1.143 -16.158) 16.199 4.261 ( 0.000 -3.800 -0.568) 3.842 4.311 ( -0.000 11.305 19.911) 22.896 4.363 ( 0.000 -2.988 5.824) 6.546 4.638 ( 0.000 -1.396 -0.019) 1.396 4.700 ( 0.000 -0.768 3.774) 3.852 5.062 ( -0.000 0.848 -5.326) 5.393 5.145 ( 0.000 -2.538 -6.139) 6.642 5.386 ( -0.000 1.009 2.177) 2.400 5.421 ( -0.000 4.319 4.551) 6.274 5.424 ( -0.000 0.985 -5.529) 5.616 5.630 ( -0.000 0.606 -10.446) 10.463 5.728 ( 0.000 -1.466 -4.521) 4.752 6.002 ( 0.000 -8.516 -3.080) 9.056 6.241 ( 0.000 0.017 7.073) 7.073 6.288 ( 0.000 -2.862 32.905) 33.030 6.485 ( 0.000 -4.302 3.004) 5.247 6.849 ( 0.000 1.568 16.886) 16.959 6.939 ( -0.000 1.815 -4.774) 5.107 7.236 ( -0.000 10.151 18.377) 20.995 8.048 ( -0.000 1.062 3.942) 4.083 8.281 ( 0.000 -4.694 -26.062) 26.482 8.575 ( 0.000 -3.524 -4.254) 5.524 8.596 ( -0.000 -0.505 -32.074) 32.078 8.746 ( -0.000 -0.509 -15.979) 15.987 9.153 ( 0.000 -4.569 -6.526) 7.967 9.372 ( 0.000 -8.907 4.254) 9.871 9.703 ( 0.000 -6.571 3.662) 7.522 10.184 ( -0.000 9.120 -2.801) 9.540 10.341 ( -0.000 6.700 -3.183) 7.417 10.442 ( 0.000 -11.401 4.763) 12.356 10.768 ( 0.000 -1.136 3.047) 3.252 10.970 ( 0.000 -2.111 -5.727) 6.103 11.106 ( -0.000 2.116 0.740) 2.242 11.207 ( -0.000 3.050 1.131) 3.253 11.313 ( 0.000 -0.725 1.175) 1.381 11.459 ( -0.000 2.751 -9.962) 10.335 11.769 ( -0.000 8.176 3.516) 8.900 11.945 ( 0.000 -4.667 10.244) 11.257 12.266 ( -0.000 2.337 9.190) 9.483 12.400 ( -0.000 4.035 -1.974) 4.492 13.548 ( 0.000 -10.049 0.085) 10.050 14.456 ( -0.000 -0.396 -10.108) 10.116 14.686 ( -0.000 2.810 6.175) 6.784 15.719 ( -0.000 0.594 -4.558) 4.597 15.779 ( -0.000 0.646 -1.271) 1.426 16.034 ( 0.000 -2.009 2.895) 3.524 16.039 ( -0.000 3.129 -3.088) 4.396 16.310 ( 0.000 0.715 5.193) 5.242 16.865 ( -0.000 3.094 0.501) 3.134 16.956 ( 0.000 -1.251 14.962) 15.014 17.267 ( 0.000 -7.939 0.802) 7.980 17.557 ( -0.000 0.651 -6.286) 6.320 17.756 ( -0.000 -0.262 -11.597) 11.599 18.219 ( 0.000 -0.624 7.063) 7.091 18.372 ( -0.000 4.578 3.829) 5.969 ======================= Grid point 29 (19/65) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -13.899 -3.108 -12.576) 19.000 2.696 ( -15.459 -0.831 1.331) 15.539 2.901 ( 2.472 9.204 16.424) 18.988 3.021 ( -12.423 4.312 7.472) 15.125 3.264 ( 10.352 -1.705 -0.429) 10.500 3.466 ( 7.811 0.245 -3.381) 8.515 3.547 ( 10.256 -2.905 -1.162) 10.723 3.801 ( -1.226 -3.931 -10.713) 11.477 3.910 ( 3.911 0.795 -8.969) 9.817 3.985 ( -1.917 5.093 -1.230) 5.579 4.047 ( 1.745 -0.444 -0.581) 1.892 4.230 ( -5.212 -1.149 3.864) 6.589 4.358 ( -0.453 -3.944 1.414) 4.214 4.591 ( -1.678 2.490 6.956) 7.576 4.624 ( -0.578 1.725 4.594) 4.941 4.747 ( -0.017 2.335 4.373) 4.958 4.985 ( -5.682 0.514 -2.700) 6.312 5.009 ( -14.786 0.048 -2.131) 14.939 5.237 ( -7.909 -0.708 1.254) 8.039 5.381 ( 0.206 0.658 -5.169) 5.215 5.483 ( 1.806 0.058 -5.225) 5.528 5.546 ( 4.904 -0.483 -5.797) 7.609 5.913 ( 2.024 -6.166 -3.392) 7.323 5.981 ( 24.182 6.468 6.903) 25.966 6.271 ( -1.782 -1.323 1.112) 2.482 6.363 ( 4.833 -4.276 -1.048) 6.538 6.803 ( -3.199 -1.768 30.529) 30.747 6.907 ( -0.514 1.257 5.111) 5.289 7.075 ( 3.789 2.008 14.565) 15.183 7.552 ( 1.727 9.268 21.951) 23.890 7.980 ( 0.518 -2.587 -20.008) 20.182 8.085 ( 0.003 -3.047 -0.180) 3.053 8.210 ( -1.590 1.961 -26.677) 26.797 8.354 ( 4.405 -6.127 -27.569) 28.583 8.642 ( -7.776 -0.536 -0.152) 7.796 9.031 ( -2.006 -1.634 -6.576) 7.067 9.376 ( 0.124 -4.658 4.937) 6.789 9.755 ( 9.793 -3.286 0.808) 10.361 10.185 ( -3.193 6.657 -2.198) 7.703 10.321 ( -2.929 -3.356 -4.027) 6.005 10.466 ( 4.640 -0.057 4.141) 6.219 10.804 ( 2.390 -0.437 1.360) 2.784 10.910 ( 1.222 -2.889 -2.363) 3.927 11.064 ( -7.473 0.979 0.170) 7.539 11.253 ( 1.696 -0.712 2.805) 3.354 11.320 ( 3.066 1.714 -4.620) 5.804 11.405 ( -0.867 2.463 -2.237) 3.439 11.874 ( -0.781 9.811 2.803) 10.233 11.989 ( -2.233 -7.401 6.886) 10.353 12.323 ( -4.167 1.824 6.808) 8.188 12.436 ( 3.322 1.045 -3.084) 4.652 13.471 ( -2.748 -5.157 0.052) 5.843 14.361 ( -0.420 -0.017 -5.560) 5.576 14.778 ( 2.776 1.627 3.653) 4.868 15.670 ( -1.943 0.326 -2.467) 3.157 15.766 ( -0.566 0.672 -1.050) 1.369 15.944 ( -6.936 -0.009 -1.491) 7.095 16.133 ( 7.013 0.573 0.986) 7.105 16.365 ( 0.231 0.138 3.293) 3.303 16.877 ( -3.784 4.250 2.494) 6.213 17.044 ( -8.183 -4.850 6.964) 11.789 17.256 ( 3.400 -1.060 6.221) 7.168 17.484 ( 0.009 1.085 -8.431) 8.501 17.632 ( 0.608 -2.532 -9.453) 9.805 18.271 ( -0.735 -0.125 3.169) 3.256 18.458 ( 2.997 2.154 3.370) 4.998 ======================= Grid point 30 (20/65) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -23.505 -0.000 0.000) 23.505 2.398 ( -25.776 -0.000 0.000) 25.776 3.017 ( -1.073 -0.000 0.000) 1.073 3.122 ( 5.154 0.000 -0.000) 5.154 3.381 ( 7.265 0.000 -0.000) 7.265 3.447 ( 3.538 0.000 -0.000) 3.538 3.618 ( -7.434 -0.000 0.000) 7.434 3.798 ( 16.180 0.000 -0.000) 16.180 3.936 ( 6.960 0.000 -0.000) 6.960 3.958 ( -11.249 -0.000 0.000) 11.249 4.011 ( -2.008 -0.000 0.000) 2.008 4.163 ( -7.887 -0.000 0.000) 7.887 4.358 ( 1.431 0.000 -0.000) 1.431 4.511 ( -12.211 -0.000 0.000) 12.211 4.625 ( -1.032 -0.000 0.000) 1.032 4.751 ( -14.175 -0.000 0.000) 14.175 4.848 ( 3.046 0.000 -0.000) 3.046 4.930 ( -1.853 -0.000 0.000) 1.853 5.259 ( 5.035 0.000 -0.000) 5.035 5.328 ( -1.767 -0.000 0.000) 1.767 5.473 ( 2.766 0.000 -0.000) 2.766 5.626 ( 10.939 0.000 -0.000) 10.939 5.884 ( 0.767 0.000 -0.000) 0.767 6.247 ( -1.025 -0.000 0.000) 1.025 6.366 ( 2.172 0.000 -0.000) 2.172 6.418 ( 23.752 0.000 -0.000) 23.752 6.802 ( -4.685 -0.000 0.000) 4.685 7.097 ( -0.721 -0.000 0.000) 0.721 7.262 ( 9.432 0.000 -0.000) 9.432 7.765 ( 0.472 0.000 -0.000) 0.472 7.932 ( -2.344 -0.000 0.000) 2.344 7.958 ( 6.325 0.000 -0.000) 6.325 8.088 ( 1.387 0.000 -0.000) 1.387 8.165 ( 3.524 0.000 -0.000) 3.524 8.490 ( -14.045 -0.000 0.000) 14.045 8.956 ( -2.217 -0.000 0.000) 2.217 9.409 ( 2.782 0.000 -0.000) 2.782 9.907 ( 13.670 0.000 -0.000) 13.670 10.177 ( -7.968 -0.000 0.000) 7.968 10.185 ( -1.473 -0.000 0.000) 1.473 10.572 ( 5.610 0.000 -0.000) 5.610 10.853 ( 4.210 0.000 -0.000) 4.210 10.905 ( 1.848 0.000 -0.000) 1.848 10.961 ( -8.318 -0.000 0.000) 8.318 11.299 ( 1.565 0.000 -0.000) 1.565 11.318 ( 1.918 0.000 -0.000) 1.918 11.394 ( -1.368 -0.000 0.000) 1.368 11.902 ( -7.884 -0.000 0.000) 7.884 11.963 ( 1.609 0.000 -0.000) 1.609 12.361 ( -3.208 -0.000 0.000) 3.208 12.413 ( 1.837 0.000 -0.000) 1.837 13.401 ( -5.434 -0.000 0.000) 5.434 14.322 ( -0.703 -0.000 0.000) 0.703 14.858 ( 4.965 0.000 -0.000) 4.965 15.617 ( -4.058 -0.000 0.000) 4.058 15.753 ( -0.828 -0.000 0.000) 0.828 15.842 ( -6.508 -0.000 0.000) 6.508 16.234 ( 6.749 0.000 -0.000) 6.749 16.389 ( 0.426 0.000 -0.000) 0.426 16.879 ( -2.932 -0.000 0.000) 2.932 16.905 ( -11.823 -0.000 0.000) 11.823 17.389 ( 3.186 0.000 -0.000) 3.186 17.414 ( -0.295 -0.000 0.000) 0.295 17.528 ( -3.039 -0.000 0.000) 3.039 18.274 ( -1.321 -0.000 0.000) 1.321 18.546 ( 5.628 0.000 -0.000) 5.628 ======================= Grid point 38 (21/65) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 0.000 0.000 -0.000) 0.000 2.848 ( -0.000 -0.000 0.000) 0.000 3.048 ( 0.000 0.000 -0.000) 0.000 3.131 ( 0.000 0.000 -0.000) 0.000 3.221 ( 0.000 0.000 -0.000) 0.000 3.368 ( -0.000 -0.000 0.000) 0.000 3.426 ( 0.000 0.000 -0.000) 0.000 3.713 ( 0.000 0.000 -0.000) 0.000 3.831 ( 0.000 0.000 -0.000) 0.000 4.002 ( 0.000 0.000 -0.000) 0.000 4.055 ( 0.000 0.000 -0.000) 0.000 4.267 ( 0.000 0.000 -0.000) 0.000 4.343 ( 0.000 0.000 -0.000) 0.000 4.648 ( 0.000 0.000 -0.000) 0.000 4.684 ( 0.000 0.000 -0.000) 0.000 4.792 ( 0.000 0.000 -0.000) 0.000 5.021 ( -0.000 -0.000 0.000) 0.000 5.023 ( 0.000 0.000 -0.000) 0.000 5.363 ( 0.000 0.000 -0.000) 0.000 5.406 ( 0.000 0.000 -0.000) 0.000 5.452 ( -0.000 -0.000 0.000) 0.000 5.558 ( -0.000 -0.000 0.000) 0.000 5.716 ( 0.000 0.000 -0.000) 0.000 5.851 ( 0.000 0.000 -0.000) 0.000 6.285 ( -0.000 -0.000 0.000) 0.000 6.319 ( 0.000 0.000 -0.000) 0.000 6.902 ( 0.000 0.000 -0.000) 0.000 7.101 ( 0.000 0.000 -0.000) 0.000 7.136 ( 0.000 0.000 -0.000) 0.000 7.789 ( -0.000 -0.000 0.000) 0.000 7.837 ( 0.000 0.000 -0.000) 0.000 7.981 ( 0.000 0.000 -0.000) 0.000 8.051 ( 0.000 0.000 -0.000) 0.000 8.119 ( 0.000 0.000 -0.000) 0.000 8.702 ( 0.000 0.000 -0.000) 0.000 9.000 ( 0.000 0.000 -0.000) 0.000 9.387 ( 0.000 0.000 -0.000) 0.000 9.673 ( 0.000 0.000 -0.000) 0.000 10.212 ( 0.000 0.000 -0.000) 0.000 10.341 ( 0.000 0.000 -0.000) 0.000 10.431 ( 0.000 0.000 -0.000) 0.000 10.794 ( 0.000 0.000 -0.000) 0.000 10.878 ( 0.000 0.000 -0.000) 0.000 11.133 ( -0.000 -0.000 0.000) 0.000 11.238 ( 0.000 0.000 -0.000) 0.000 11.279 ( 0.000 0.000 -0.000) 0.000 11.408 ( 0.000 0.000 -0.000) 0.000 11.942 ( 0.000 0.000 -0.000) 0.000 12.013 ( 0.000 0.000 -0.000) 0.000 12.396 ( 0.000 0.000 -0.000) 0.000 12.403 ( 0.000 0.000 -0.000) 0.000 13.468 ( 0.000 0.000 -0.000) 0.000 14.330 ( 0.000 0.000 -0.000) 0.000 14.787 ( 0.000 0.000 -0.000) 0.000 15.670 ( 0.000 0.000 -0.000) 0.000 15.766 ( 0.000 0.000 -0.000) 0.000 16.023 ( -0.000 -0.000 0.000) 0.000 16.053 ( 0.000 0.000 -0.000) 0.000 16.382 ( 0.000 0.000 -0.000) 0.000 16.923 ( 0.000 0.000 -0.000) 0.000 17.187 ( 0.000 0.000 -0.000) 0.000 17.227 ( -0.000 -0.000 0.000) 0.000 17.416 ( 0.000 0.000 -0.000) 0.000 17.571 ( 0.000 0.000 -0.000) 0.000 18.293 ( -0.000 -0.000 0.000) 0.000 18.465 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 76 (22/65) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 -0.000 34.302) 34.302 1.194 ( 0.000 -0.000 34.302) 34.302 2.263 ( 0.000 -0.000 57.264) 57.264 3.464 ( 0.000 0.000 -0.183) 0.183 3.464 ( -0.000 -0.000 -0.183) 0.183 3.484 ( -0.000 0.000 -4.631) 4.631 3.625 ( 0.000 -0.000 8.668) 8.668 3.657 ( 0.000 0.000 -7.723) 7.723 3.657 ( -0.000 0.000 -7.723) 7.723 4.022 ( 0.000 0.000 -6.270) 6.270 4.022 ( -0.000 0.000 -6.270) 6.270 4.036 ( 0.000 -0.000 11.569) 11.569 4.535 ( -0.000 0.000 -6.644) 6.644 4.633 ( 0.000 0.000 1.502) 1.502 4.633 ( -0.000 -0.000 1.502) 1.502 5.111 ( 0.000 -0.000 29.230) 29.230 5.136 ( -0.000 0.000 -21.058) 21.058 5.242 ( 0.000 0.000 0.502) 0.502 5.242 ( -0.000 -0.000 0.502) 0.502 5.423 ( 0.000 0.000 4.386) 4.386 5.423 ( -0.000 -0.000 4.386) 4.386 5.506 ( 0.000 0.000 1.467) 1.467 5.506 ( -0.000 -0.000 1.467) 1.467 5.809 ( -0.000 0.000 -21.440) 21.440 6.345 ( -0.000 0.000 -11.406) 11.406 6.443 ( -0.000 0.000 -7.037) 7.037 6.502 ( 0.000 -0.000 2.407) 2.407 6.502 ( -0.000 -0.000 2.407) 2.407 7.221 ( -0.000 0.000 -20.229) 20.229 7.221 ( -0.000 0.000 -20.229) 20.229 7.747 ( 0.000 -0.000 9.043) 9.043 8.408 ( 0.000 -0.000 10.740) 10.740 8.898 ( 0.000 -0.000 13.529) 13.529 8.898 ( 0.000 -0.000 13.529) 13.529 9.105 ( 0.000 -0.000 23.271) 23.271 9.585 ( 0.000 0.000 -2.213) 2.213 9.585 ( -0.000 -0.000 -2.213) 2.213 9.592 ( -0.000 0.000 -20.446) 20.446 10.227 ( 0.000 0.000 -1.371) 1.371 10.227 ( -0.000 0.000 -1.371) 1.371 10.826 ( 0.000 0.000 -2.660) 2.660 10.826 ( -0.000 0.000 -2.660) 2.660 10.930 ( 0.000 0.000 0.986) 0.986 10.930 ( -0.000 -0.000 0.986) 0.986 11.177 ( 0.000 0.000 -3.041) 3.041 11.177 ( -0.000 0.000 -3.041) 3.041 11.732 ( 0.000 -0.000 11.446) 11.446 11.732 ( 0.000 -0.000 11.446) 11.446 11.922 ( -0.000 0.000 -12.503) 12.503 11.922 ( -0.000 0.000 -12.503) 12.503 12.236 ( -0.000 0.000 -10.926) 10.926 14.146 ( -0.000 0.000 -6.275) 6.275 14.340 ( 0.000 -0.000 6.207) 6.207 14.936 ( -0.000 0.000 -12.740) 12.740 15.757 ( 0.000 -0.000 4.998) 4.998 15.757 ( 0.000 -0.000 4.998) 4.998 16.069 ( -0.000 0.000 -9.325) 9.325 16.268 ( -0.000 0.000 -8.149) 8.149 16.268 ( -0.000 0.000 -8.149) 8.149 16.819 ( 0.000 -0.000 1.842) 1.842 16.819 ( 0.000 -0.000 1.842) 1.842 17.488 ( 0.000 -0.000 11.237) 11.237 17.488 ( 0.000 -0.000 11.237) 11.237 17.823 ( 0.000 -0.000 15.775) 15.775 17.877 ( -0.000 0.000 -5.204) 5.204 18.056 ( -0.000 0.000 -6.549) 6.549 ======================= Grid point 77 (23/65) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 5.386 3.110 32.800) 33.384 1.668 ( 8.336 4.813 30.246) 31.740 2.931 ( 7.887 4.553 43.042) 43.995 3.279 ( -14.357 -8.289 -4.337) 17.136 3.343 ( -11.223 -6.480 -6.149) 14.344 3.558 ( 6.731 3.886 2.252) 8.092 3.574 ( 0.366 0.212 1.869) 1.916 3.644 ( 5.824 3.363 -8.566) 10.891 3.743 ( 1.158 0.668 7.517) 7.635 3.941 ( 1.292 0.746 -4.015) 4.283 4.031 ( 3.971 2.293 -3.859) 5.993 4.172 ( -0.478 -0.276 12.544) 12.556 4.423 ( -3.321 -1.917 -8.935) 9.723 4.606 ( -1.668 -0.963 1.710) 2.576 4.643 ( -2.363 -1.364 -6.361) 6.921 4.847 ( 4.372 2.524 -26.741) 27.213 5.103 ( -5.914 -3.414 -3.664) 7.750 5.300 ( -2.783 -1.607 1.907) 3.736 5.337 ( -10.936 -6.314 -5.524) 13.783 5.381 ( -1.044 -0.603 22.562) 22.595 5.556 ( 7.871 4.545 11.520) 14.674 5.584 ( 6.106 3.525 0.714) 7.086 5.639 ( 6.873 3.968 0.946) 7.992 5.712 ( 6.439 3.718 -5.548) 9.277 6.221 ( -3.100 -1.790 -5.007) 6.155 6.320 ( -3.215 -1.856 -6.125) 7.162 6.546 ( 1.810 1.045 6.254) 6.594 6.622 ( 4.987 2.879 6.461) 8.655 6.973 ( -1.985 -1.146 -15.903) 16.067 7.032 ( -0.525 -0.303 -15.692) 15.704 7.863 ( 0.614 0.355 9.547) 9.574 8.501 ( -2.419 -1.397 8.954) 9.380 8.929 ( -2.186 -1.262 -12.749) 12.997 8.959 ( -0.068 -0.039 4.711) 4.711 9.273 ( -5.196 -3.000 12.003) 13.419 9.291 ( -3.642 -2.103 -24.291) 24.652 9.604 ( 2.686 1.551 13.524) 13.875 9.627 ( 3.106 1.793 -6.369) 7.310 10.168 ( -0.510 -0.294 -5.149) 5.183 10.248 ( 2.401 1.386 -2.416) 3.678 10.765 ( -1.145 -0.661 -1.739) 2.184 10.810 ( -3.178 -1.835 0.076) 3.671 10.896 ( 0.178 0.103 -2.277) 2.287 10.965 ( 0.279 0.161 2.302) 2.324 11.172 ( 1.752 1.011 0.288) 2.043 11.192 ( 1.965 1.134 0.804) 2.407 11.759 ( -1.889 -1.091 -12.929) 13.111 11.762 ( -0.751 -0.433 -10.238) 10.275 11.839 ( -4.077 -2.354 10.302) 11.327 11.843 ( -2.438 -1.408 12.455) 12.769 12.263 ( 12.627 7.290 -5.696) 15.653 13.972 ( -10.088 -5.825 -4.866) 12.624 14.435 ( 1.923 1.110 7.462) 7.786 14.772 ( -1.056 -0.610 -14.088) 14.141 15.784 ( -1.356 -0.783 1.198) 1.972 15.797 ( -0.794 -0.458 1.935) 2.142 16.004 ( 2.880 1.663 -4.913) 5.932 16.159 ( -2.328 -1.344 -6.234) 6.789 16.193 ( -1.884 -1.088 0.172) 2.182 16.728 ( -10.745 -6.204 6.736) 14.118 16.876 ( 2.199 1.270 4.170) 4.883 17.347 ( -14.466 -8.352 7.852) 18.457 17.773 ( 8.548 4.935 12.585) 15.994 17.883 ( 2.854 1.648 -11.147) 11.624 17.996 ( 0.563 0.325 13.831) 13.846 18.060 ( 8.565 4.945 -8.883) 13.293 ======================= Grid point 78 (24/65) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.102 ( 9.043 5.221 29.931) 31.700 2.140 ( 9.744 5.626 24.600) 27.051 2.891 ( -21.181 -12.229 -6.538) 25.316 2.978 ( -18.907 -10.916 -11.339) 24.600 3.375 ( 2.719 1.570 11.734) 12.147 3.613 ( 0.587 0.339 0.860) 1.095 3.683 ( 6.178 3.567 0.193) 7.137 3.800 ( 10.563 6.098 7.814) 14.486 3.826 ( -2.314 -1.336 8.334) 8.752 3.999 ( 8.700 5.023 5.281) 11.349 4.080 ( 4.625 2.670 -3.190) 6.221 4.218 ( -6.221 -3.592 -9.264) 11.723 4.286 ( -1.462 -0.844 9.680) 9.827 4.403 ( 1.402 0.810 -24.993) 25.045 4.607 ( -1.565 -0.904 2.426) 3.025 4.761 ( 0.810 0.468 -2.584) 2.748 4.951 ( -8.610 -4.971 -6.200) 11.718 5.063 ( -9.817 -5.668 -6.033) 12.841 5.227 ( -5.627 -3.249 0.659) 6.531 5.566 ( 10.147 5.859 -8.636) 14.556 5.646 ( 5.648 3.261 -6.560) 9.250 5.760 ( 5.673 3.275 -8.580) 10.794 5.768 ( 6.284 3.628 2.920) 7.822 5.890 ( -3.324 -1.919 40.859) 41.039 6.186 ( -0.009 -0.005 5.576) 5.576 6.225 ( -0.774 -0.447 -3.832) 3.935 6.709 ( 5.485 3.167 9.071) 11.063 6.800 ( 2.787 1.609 4.362) 5.421 6.810 ( -0.167 -0.097 -6.367) 6.370 6.870 ( -0.522 -0.301 -2.341) 2.417 7.977 ( 1.023 0.591 8.102) 8.188 8.508 ( -7.007 -4.045 5.170) 9.601 8.652 ( -3.665 -2.116 -21.965) 22.369 8.887 ( -1.820 -1.051 -25.453) 25.540 9.045 ( 4.234 2.444 -10.078) 11.201 9.226 ( -6.117 -3.531 -0.404) 7.074 9.541 ( -3.316 -1.915 -6.959) 7.943 9.868 ( 7.789 4.497 13.105) 15.894 10.111 ( 2.319 1.339 -7.732) 8.183 10.257 ( 2.066 1.193 -2.039) 3.138 10.708 ( -5.286 -3.052 0.670) 6.140 10.764 ( -2.744 -1.584 1.897) 3.693 10.873 ( 0.700 0.404 -3.400) 3.495 11.039 ( 3.874 2.237 4.293) 6.200 11.205 ( 0.885 0.511 0.423) 1.106 11.245 ( 1.586 0.915 2.285) 2.928 11.571 ( -2.016 -1.164 -13.115) 13.320 11.661 ( 0.442 0.255 -5.997) 6.019 11.894 ( -3.426 -1.978 12.464) 13.076 11.941 ( -3.616 -2.088 12.671) 13.341 12.445 ( 12.290 7.096 -3.456) 14.606 13.735 ( -11.774 -6.798 -2.534) 13.830 14.575 ( 3.960 2.286 8.080) 9.284 14.591 ( -1.581 -0.913 -13.073) 13.200 15.732 ( -2.447 -1.413 -3.294) 4.340 15.781 ( -0.986 -0.569 -1.235) 1.679 16.012 ( 0.488 0.282 -7.617) 7.638 16.090 ( 1.111 0.642 3.230) 3.476 16.221 ( -0.201 -0.116 6.816) 6.820 16.642 ( -9.469 -5.467 8.777) 14.021 16.982 ( 2.850 1.646 6.256) 7.069 17.196 ( -11.020 -6.363 4.045) 13.353 17.769 ( 0.467 0.270 -12.764) 12.775 18.027 ( 3.909 2.257 10.819) 11.723 18.040 ( 2.787 1.609 -12.436) 12.846 18.178 ( 4.829 2.788 11.529) 12.806 ======================= Grid point 79 (25/65) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -23.237 -13.416 -5.803) 27.452 2.424 ( -19.414 -11.209 -13.248) 26.039 2.570 ( 7.819 4.514 17.958) 20.100 2.620 ( 6.654 3.841 23.503) 24.726 3.428 ( 0.875 0.505 -1.458) 1.774 3.585 ( -2.019 -1.166 -4.093) 4.710 3.775 ( -18.944 -10.937 3.521) 22.156 3.844 ( 6.998 4.040 5.583) 9.821 3.934 ( 5.650 3.262 -2.155) 6.871 3.941 ( -0.424 -0.245 -8.354) 8.369 4.199 ( 6.068 3.503 -12.974) 14.745 4.222 ( 3.612 2.085 -5.993) 7.302 4.338 ( -0.935 -0.540 3.724) 3.877 4.397 ( 14.121 8.153 17.801) 24.140 4.585 ( -4.171 -2.408 2.431) 5.395 4.593 ( -18.540 -10.704 -8.812) 23.151 4.772 ( -2.469 -1.426 6.368) 6.978 4.939 ( 1.137 0.657 -5.585) 5.738 5.157 ( -3.163 -1.826 1.315) 3.882 5.541 ( 4.295 2.480 -15.242) 16.028 5.637 ( 3.501 2.021 -9.036) 9.899 5.762 ( 7.846 4.530 -8.069) 12.132 5.897 ( 4.021 2.322 1.723) 4.953 6.198 ( 0.545 0.315 2.035) 2.131 6.287 ( 1.919 1.108 4.777) 5.266 6.356 ( -0.519 -0.300 41.753) 41.757 6.689 ( -4.526 -2.613 -4.242) 6.731 6.746 ( 3.244 1.873 -0.103) 3.747 7.037 ( 8.335 4.812 19.328) 21.592 7.095 ( 5.811 3.355 17.453) 18.699 8.083 ( 1.640 0.947 6.113) 6.399 8.306 ( -2.006 -1.158 -22.804) 22.921 8.414 ( -11.583 -6.687 0.820) 13.400 8.522 ( -0.582 -0.336 -31.555) 31.562 8.942 ( 6.338 3.659 -29.473) 30.368 9.108 ( -1.351 -0.780 -7.844) 7.998 9.442 ( -6.524 -3.767 8.575) 11.414 10.051 ( 3.197 1.846 -11.146) 11.741 10.134 ( 9.739 5.623 5.056) 12.330 10.282 ( 2.820 1.628 -0.998) 3.406 10.605 ( -8.888 -5.132 3.719) 10.917 10.735 ( -0.659 -0.381 -3.425) 3.509 10.870 ( 0.593 0.343 2.440) 2.535 11.161 ( 3.709 2.142 3.693) 5.655 11.206 ( -0.411 -0.237 -0.600) 0.765 11.282 ( -0.000 -0.000 1.469) 1.469 11.421 ( 0.038 0.022 -8.446) 8.447 11.632 ( 0.099 0.057 -1.188) 1.194 11.999 ( -3.594 -2.075 8.826) 9.752 12.011 ( -1.754 -1.013 15.355) 15.488 12.567 ( 8.560 4.942 -7.736) 12.552 13.515 ( -11.313 -6.532 -1.183) 13.117 14.432 ( -1.563 -0.902 -9.581) 9.750 14.748 ( 5.476 3.161 7.531) 9.833 15.642 ( -3.103 -1.791 -3.790) 5.215 15.745 ( -0.927 -0.535 -1.908) 2.188 15.898 ( -2.897 -1.673 -6.068) 6.929 16.198 ( 4.424 2.554 4.243) 6.640 16.311 ( 0.585 0.338 7.363) 7.394 16.595 ( -7.805 -4.506 9.018) 12.750 17.056 ( -9.237 -5.333 2.243) 10.899 17.107 ( 2.154 1.243 7.712) 8.103 17.621 ( -0.026 -0.015 -13.368) 13.368 17.888 ( -2.367 -1.367 -14.044) 14.307 18.155 ( 0.087 0.050 7.274) 7.274 18.411 ( 7.343 4.240 9.018) 12.378 ======================= Grid point 80 (26/65) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.846 ( -24.806 -14.322 -12.911) 31.419 1.883 ( -27.231 -15.722 -3.967) 31.693 2.900 ( 8.876 5.125 11.397) 15.328 3.037 ( 4.805 2.774 18.590) 19.400 3.246 ( -29.042 -16.767 -3.811) 33.751 3.440 ( 1.546 0.893 1.086) 2.089 3.540 ( -1.605 -0.927 -4.931) 5.268 3.862 ( -2.258 -1.304 -6.754) 7.240 3.979 ( -2.303 -1.330 5.026) 5.687 4.015 ( 9.172 5.296 -3.194) 11.063 4.128 ( 2.763 1.595 -8.564) 9.139 4.209 ( -8.957 -5.172 -9.568) 14.090 4.290 ( 0.607 0.350 2.261) 2.367 4.375 ( 4.082 2.357 -0.347) 4.726 4.532 ( -2.846 -1.643 3.036) 4.474 4.784 ( 9.352 5.399 8.925) 14.009 4.785 ( -5.509 -3.181 7.589) 9.903 4.970 ( 5.295 3.057 -0.411) 6.128 5.147 ( -1.606 -0.927 5.479) 5.785 5.420 ( 1.423 0.821 -12.343) 12.452 5.567 ( 0.905 0.523 -9.271) 9.330 5.875 ( 12.079 6.974 -2.809) 14.227 5.921 ( -2.000 -1.155 -0.669) 2.405 6.239 ( 3.193 1.844 -0.993) 3.818 6.319 ( 1.976 1.141 -3.540) 4.211 6.581 ( -4.599 -2.655 1.920) 5.647 6.818 ( 0.400 0.231 33.983) 33.987 6.912 ( 6.188 3.573 12.972) 14.810 7.430 ( 6.302 3.638 22.862) 23.992 7.441 ( 10.849 6.264 21.064) 24.508 8.037 ( 1.248 0.720 -22.220) 22.267 8.092 ( -2.167 -1.251 -15.395) 15.597 8.198 ( -13.906 -8.029 0.835) 16.079 8.256 ( 5.394 3.114 -9.406) 11.281 8.621 ( 1.554 0.897 -35.810) 35.855 8.992 ( 0.430 0.248 -12.016) 12.026 9.501 ( -2.637 -1.522 13.512) 13.850 9.951 ( 2.573 1.486 -15.085) 15.375 10.277 ( 4.176 2.411 -4.774) 6.785 10.336 ( 3.939 2.274 0.413) 4.567 10.544 ( -3.390 -1.957 8.694) 9.534 10.662 ( -1.474 -0.851 -5.639) 5.891 10.943 ( 2.521 1.455 4.558) 5.408 11.185 ( -0.901 -0.520 -0.864) 1.352 11.200 ( -1.834 -1.059 0.058) 2.118 11.312 ( 2.307 1.332 1.004) 2.847 11.388 ( 0.839 0.484 0.069) 0.971 11.609 ( -2.578 -1.488 0.215) 2.985 12.029 ( -1.007 -0.581 3.747) 3.923 12.158 ( -2.032 -1.173 14.443) 14.632 12.562 ( 5.345 3.086 -13.375) 14.730 13.307 ( -11.491 -6.634 -1.199) 13.322 14.326 ( -1.444 -0.834 -4.492) 4.791 14.921 ( 5.759 3.325 5.005) 8.323 15.538 ( -4.440 -2.563 -2.910) 5.895 15.708 ( -1.399 -0.808 -0.992) 1.896 15.796 ( -2.175 -1.256 -3.600) 4.390 16.320 ( 4.121 2.379 3.684) 6.018 16.387 ( 0.384 0.222 3.270) 3.299 16.575 ( -5.501 -3.176 7.850) 10.098 16.931 ( -7.736 -4.466 1.907) 9.134 17.223 ( 0.473 0.273 8.365) 8.382 17.480 ( -0.076 -0.044 -10.346) 10.346 17.660 ( -5.071 -2.928 -13.565) 14.775 18.212 ( -0.704 -0.407 3.851) 3.936 18.615 ( 6.597 3.809 5.180) 9.212 ======================= Grid point 81 (27/65) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -25.816 -14.905 3.462) 30.010 1.393 ( -27.641 -15.958 2.708) 32.031 2.474 ( -43.543 -25.140 -2.191) 50.327 3.130 ( 7.626 4.403 4.657) 9.962 3.375 ( 4.125 2.382 7.208) 8.640 3.507 ( 1.520 0.877 4.730) 5.045 3.522 ( 3.536 2.042 2.830) 4.968 3.726 ( -1.858 -1.073 -8.297) 8.570 3.930 ( -5.219 -3.013 0.226) 6.030 3.954 ( -7.658 -4.421 -5.371) 10.346 4.117 ( 7.064 4.078 -3.802) 8.999 4.157 ( 3.839 2.216 -0.321) 4.444 4.336 ( 0.494 0.285 2.106) 2.181 4.430 ( 2.127 1.228 -0.750) 2.569 4.620 ( 7.931 4.579 3.114) 9.673 4.764 ( -5.725 -3.305 5.699) 8.728 4.831 ( -2.711 -1.565 -4.701) 5.648 5.060 ( 2.763 1.595 3.063) 4.423 5.294 ( 3.198 1.847 9.750) 10.426 5.346 ( 1.761 1.017 -1.954) 2.820 5.472 ( -0.272 -0.157 -7.746) 7.753 5.826 ( -6.697 -3.866 -1.694) 7.916 6.099 ( 14.060 8.118 1.135) 16.275 6.263 ( 2.774 1.602 -4.632) 5.632 6.316 ( 4.164 2.404 -5.634) 7.407 6.550 ( -2.918 -1.685 3.732) 5.028 7.066 ( -0.005 -0.003 2.489) 2.489 7.149 ( 8.166 4.715 -3.196) 9.956 7.725 ( 9.519 5.496 -19.551) 22.429 7.816 ( 5.470 3.158 24.061) 24.876 7.897 ( 0.317 0.183 -2.089) 2.120 7.928 ( -7.273 -4.199 4.283) 9.428 8.042 ( -0.948 -0.547 19.780) 19.811 8.229 ( -0.910 -0.525 -32.675) 32.692 8.347 ( 4.671 2.697 4.724) 7.170 8.879 ( -2.124 -1.227 1.220) 2.740 9.623 ( -0.980 -0.566 12.184) 12.236 9.800 ( 1.023 0.591 -16.542) 16.584 10.233 ( -1.034 -0.597 -2.058) 2.379 10.427 ( 2.415 1.394 4.428) 5.233 10.567 ( 1.056 0.609 -8.536) 8.622 10.659 ( 4.423 2.554 5.646) 7.614 11.041 ( 2.583 1.491 4.036) 5.018 11.141 ( -3.974 -2.294 -0.870) 4.670 11.154 ( -1.343 -0.776 -1.291) 2.018 11.336 ( 2.358 1.361 -4.245) 5.043 11.442 ( -0.304 -0.176 7.802) 7.810 11.552 ( -3.311 -1.912 -0.255) 3.832 12.050 ( 1.443 0.833 -0.996) 1.941 12.200 ( -5.329 -3.077 1.303) 6.290 12.542 ( 4.961 2.864 1.245) 5.862 13.076 ( -12.664 -7.312 -3.286) 14.988 14.275 ( -1.741 -1.005 0.158) 2.016 15.047 ( 4.787 2.764 0.571) 5.557 15.435 ( -5.098 -2.943 0.433) 5.903 15.681 ( -1.715 -0.990 1.411) 2.431 15.747 ( -0.821 -0.474 -0.271) 0.986 16.382 ( -0.279 -0.161 -3.986) 3.999 16.418 ( 3.054 1.763 2.359) 4.243 16.570 ( -3.387 -1.956 2.982) 4.918 16.841 ( -4.850 -2.800 2.460) 6.117 17.309 ( -1.600 -0.924 8.232) 8.437 17.384 ( -2.509 -1.448 -7.385) 7.933 17.454 ( -2.752 -1.589 -3.889) 5.022 18.220 ( -1.096 -0.633 0.404) 1.328 18.749 ( 5.527 3.191 -0.876) 6.441 ======================= Grid point 82 (28/65) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.031 ( -24.632 -14.221 15.700) 32.488 1.069 ( -23.497 -13.566 22.092) 34.989 1.788 ( -42.424 -24.493 22.214) 53.788 3.295 ( 7.225 4.171 2.633) 8.748 3.424 ( 2.466 1.424 -1.871) 3.407 3.555 ( -2.038 -1.177 3.298) 4.052 3.572 ( 0.388 0.224 -6.549) 6.564 3.727 ( 3.141 1.813 2.853) 4.614 3.813 ( -2.780 -1.605 0.259) 3.220 3.854 ( -2.319 -1.339 -1.049) 2.876 4.148 ( 4.207 2.429 -9.612) 10.769 4.264 ( 1.518 0.876 5.122) 5.414 4.365 ( 0.336 0.194 8.431) 8.440 4.461 ( 1.925 1.111 0.873) 2.388 4.655 ( 1.414 0.817 -8.491) 8.647 4.713 ( -5.344 -3.085 2.611) 6.700 4.898 ( 6.436 3.716 10.200) 12.620 5.138 ( 0.180 0.104 6.284) 6.288 5.280 ( 1.077 0.622 -5.024) 5.176 5.401 ( 0.690 0.398 -4.544) 4.613 5.507 ( 0.034 0.020 11.412) 11.412 5.672 ( -8.366 -4.830 -1.502) 9.776 6.220 ( 1.856 1.072 -10.286) 10.507 6.315 ( 6.407 3.699 -9.718) 12.214 6.354 ( 9.440 5.450 0.878) 10.936 6.547 ( -2.357 -1.361 2.921) 3.992 6.796 ( -12.965 -7.485 -51.782) 53.903 6.866 ( -0.847 -0.489 -28.897) 28.913 7.570 ( 6.534 3.772 -25.129) 26.238 7.772 ( -9.234 -5.331 1.774) 10.809 7.846 ( -1.868 -1.078 -26.903) 26.989 8.035 ( 1.591 0.919 17.703) 17.798 8.214 ( 5.182 2.992 24.657) 25.373 8.449 ( 3.102 1.791 30.777) 30.985 8.524 ( 3.711 2.143 14.675) 15.288 9.178 ( 11.363 6.560 33.303) 35.794 9.637 ( 2.073 1.197 -14.373) 14.571 9.721 ( -1.883 -1.087 8.220) 8.503 10.243 ( 1.288 0.743 2.307) 2.744 10.395 ( -7.058 -4.075 0.200) 8.153 10.629 ( 11.660 6.732 -3.300) 13.863 10.770 ( 3.736 2.157 -0.506) 4.344 11.052 ( -4.599 -2.655 -1.176) 5.439 11.060 ( -5.152 -2.974 1.248) 6.078 11.155 ( 4.054 2.341 -1.368) 4.877 11.309 ( 0.456 0.263 -4.206) 4.239 11.514 ( -0.712 -0.411 0.860) 1.190 11.542 ( 0.383 0.221 9.296) 9.307 12.051 ( 2.510 1.449 -5.044) 5.818 12.097 ( -1.955 -1.129 -2.503) 3.371 12.789 ( -13.425 -7.751 -7.186) 17.086 12.913 ( 17.412 10.053 41.635) 46.235 14.264 ( -1.999 -1.154 3.397) 4.107 15.093 ( 3.153 1.820 -4.666) 5.918 15.423 ( -0.912 -0.527 10.862) 10.913 15.684 ( -1.655 -0.955 4.119) 4.541 15.771 ( 1.342 0.775 5.358) 5.578 16.303 ( 0.073 0.042 -8.973) 8.974 16.476 ( 1.617 0.934 0.943) 2.092 16.496 ( -2.859 -1.651 -5.678) 6.568 16.827 ( -1.776 -1.025 3.376) 3.950 17.246 ( -2.021 -1.167 -3.748) 4.415 17.354 ( -3.518 -2.031 7.558) 8.580 17.492 ( -0.097 -0.056 10.177) 10.178 18.185 ( -1.153 -0.665 -3.071) 3.347 18.739 ( 0.134 0.077 -13.746) 13.747 ======================= Grid point 85 (29/65) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.987 ( -0.000 5.162 31.396) 31.818 2.010 ( -0.000 6.173 30.327) 30.949 3.253 ( 0.000 -2.435 8.373) 8.720 3.344 ( 0.000 -5.085 -2.571) 5.698 3.423 ( 0.000 -6.933 -12.219) 14.049 3.452 ( 0.000 -6.464 2.083) 6.791 3.515 ( -0.000 7.052 22.448) 23.530 3.633 ( -0.000 3.078 3.776) 4.872 3.839 ( 0.000 0.764 6.637) 6.681 3.889 ( -0.000 -0.083 -0.663) 0.668 4.010 ( -0.000 6.573 -2.891) 7.181 4.258 ( -0.000 2.719 -26.799) 26.937 4.322 ( 0.000 -1.641 13.438) 13.538 4.456 ( 0.000 -3.910 -12.796) 13.380 4.646 ( -0.000 1.265 -1.804) 2.203 4.681 ( -0.000 1.730 0.184) 1.740 5.096 ( -0.000 -0.351 -6.334) 6.344 5.258 ( -0.000 4.806 -7.141) 8.608 5.391 ( 0.000 -5.294 -0.942) 5.377 5.408 ( 0.000 -5.999 0.315) 6.008 5.463 ( 0.000 -1.713 -3.746) 4.119 5.610 ( -0.000 5.057 -1.432) 5.256 5.709 ( -0.000 9.603 -4.703) 10.693 5.926 ( 0.000 -2.564 41.377) 41.456 6.194 ( 0.000 -1.998 0.171) 2.005 6.233 ( 0.000 -3.022 -6.863) 7.499 6.617 ( 0.000 -0.471 7.633) 7.648 6.744 ( -0.000 8.925 11.159) 14.289 6.790 ( 0.000 -5.341 -9.294) 10.719 6.917 ( -0.000 4.217 -9.756) 10.628 7.978 ( 0.000 -1.107 10.606) 10.663 8.605 ( 0.000 -2.008 8.140) 8.384 8.732 ( 0.000 -5.277 -22.482) 23.093 8.882 ( -0.000 3.412 -14.287) 14.689 8.982 ( -0.000 -1.457 -30.215) 30.250 9.353 ( 0.000 -4.163 -0.616) 4.208 9.601 ( 0.000 -4.333 1.355) 4.540 9.721 ( -0.000 2.391 11.601) 11.845 10.078 ( -0.000 -0.806 -10.047) 10.079 10.207 ( -0.000 5.362 -5.576) 7.736 10.711 ( 0.000 -7.542 1.831) 7.761 10.848 ( 0.000 -0.390 0.990) 1.064 10.885 ( -0.000 0.769 -0.094) 0.775 11.007 ( -0.000 3.011 1.475) 3.353 11.173 ( 0.000 -0.556 2.531) 2.591 11.226 ( -0.000 3.658 2.740) 4.571 11.607 ( -0.000 -1.690 -13.280) 13.387 11.650 ( -0.000 1.279 -8.014) 8.116 11.945 ( 0.000 -5.778 12.429) 13.706 12.066 ( 0.000 2.117 13.339) 13.506 12.206 ( -0.000 8.203 1.819) 8.402 13.896 ( 0.000 -7.513 -8.307) 11.201 14.519 ( -0.000 2.036 7.608) 7.875 14.612 ( -0.000 -0.557 -13.902) 13.914 15.784 ( 0.000 -1.527 -2.879) 3.259 15.795 ( 0.000 -0.641 -0.965) 1.158 15.957 ( -0.000 3.543 -2.746) 4.482 16.116 ( 0.000 -4.644 0.633) 4.687 16.218 ( -0.000 2.146 2.134) 3.026 16.843 ( 0.000 -1.664 1.928) 2.547 16.882 ( 0.000 -2.314 8.030) 8.356 17.543 ( 0.000 -12.037 6.981) 13.915 17.641 ( 0.000 -3.719 -1.160) 3.896 17.831 ( -0.000 1.834 -6.126) 6.394 18.054 ( -0.000 15.030 -0.875) 15.056 18.130 ( 0.000 -0.038 10.349) 10.349 ======================= Grid point 86 (30/65) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 2.946 5.282 25.977) 26.671 2.403 ( 3.591 5.149 28.080) 28.773 2.994 ( -19.727 -13.065 -9.697) 25.571 3.067 ( -20.462 -6.825 -3.869) 21.914 3.375 ( 5.544 -3.908 -3.294) 7.540 3.536 ( 11.241 -4.216 1.396) 12.086 3.648 ( 0.433 0.360 0.934) 1.091 3.842 ( 1.187 3.393 3.416) 4.959 3.907 ( 1.327 2.228 1.125) 2.827 3.953 ( 7.146 3.501 -5.584) 9.721 4.036 ( 5.997 4.463 -8.211) 11.104 4.122 ( 4.898 8.214 9.830) 13.715 4.289 ( -9.861 -4.042 -0.554) 10.672 4.418 ( -3.468 -2.803 9.012) 10.054 4.634 ( -0.716 -0.913 1.136) 1.624 4.734 ( 3.509 0.613 1.094) 3.726 4.977 ( -6.062 2.115 -5.952) 8.754 5.147 ( -13.509 -6.258 -4.485) 15.549 5.225 ( -2.510 1.662 -5.664) 6.415 5.416 ( 2.399 0.554 -3.633) 4.389 5.496 ( 6.627 0.901 -5.888) 8.911 5.617 ( 3.489 1.752 -7.942) 8.849 5.744 ( 6.641 6.020 -1.595) 9.104 6.126 ( 2.401 -1.162 -7.275) 7.749 6.229 ( 1.953 1.347 3.894) 4.560 6.398 ( -0.799 -4.898 41.788) 42.082 6.600 ( 3.437 -4.622 -5.481) 7.951 6.825 ( -2.695 5.823 -5.044) 8.161 6.853 ( 3.844 0.423 14.632) 15.135 7.008 ( 1.686 9.128 16.733) 19.136 8.076 ( -0.417 -2.154 9.433) 9.684 8.382 ( -2.933 -4.985 -25.489) 26.136 8.569 ( -3.302 -0.543 -31.162) 31.341 8.645 ( -3.798 -3.536 3.398) 6.203 8.753 ( 6.483 3.224 -24.591) 25.635 9.217 ( -5.280 -4.071 -8.888) 11.110 9.559 ( -2.316 -7.445 3.347) 8.486 9.883 ( 7.211 -2.403 4.622) 8.896 9.982 ( 1.812 6.550 -10.109) 12.181 10.205 ( 2.808 7.140 -5.879) 9.666 10.679 ( -0.921 -9.763 3.068) 10.275 10.839 ( -1.790 -1.955 2.684) 3.773 10.895 ( -1.771 4.087 -0.806) 4.527 11.050 ( 1.487 1.928 2.011) 3.158 11.200 ( 1.051 -1.046 1.533) 2.133 11.290 ( -0.092 2.907 3.563) 4.600 11.446 ( -1.092 -1.904 -10.190) 10.424 11.619 ( 0.611 4.791 -2.280) 5.340 12.041 ( -1.401 -4.900 13.217) 14.166 12.158 ( -6.396 1.922 10.980) 12.852 12.363 ( 7.160 4.331 2.674) 8.785 13.718 ( -3.992 -6.543 -7.879) 10.992 14.460 ( -0.536 -0.321 -11.049) 11.067 14.637 ( 2.480 2.700 6.983) 7.887 15.721 ( -2.196 -1.729 -2.513) 3.758 15.768 ( -0.690 -0.044 -1.851) 1.976 15.957 ( -0.933 1.544 -2.854) 3.376 16.113 ( 1.506 -1.783 3.395) 4.120 16.282 ( 1.115 2.005 4.308) 4.880 16.801 ( -6.830 -2.198 5.057) 8.778 17.015 ( 4.062 -0.378 8.734) 9.639 17.377 ( -13.608 -8.263 5.211) 16.752 17.609 ( 1.633 -1.667 -11.057) 11.300 17.823 ( 7.202 -4.045 -6.802) 10.700 18.166 ( -1.028 8.676 4.453) 9.806 18.250 ( 3.630 3.215 6.461) 8.078 ======================= Grid point 87 (31/65) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( -21.218 -13.437 -9.254) 26.766 2.584 ( -20.367 -8.911 0.956) 22.252 2.772 ( -2.476 3.029 17.851) 18.275 2.860 ( 3.265 3.909 23.107) 23.661 3.391 ( 3.147 -0.990 -0.264) 3.310 3.555 ( -0.497 -2.908 -3.687) 4.722 3.739 ( 9.885 0.749 -0.536) 9.928 3.832 ( -5.079 -2.475 -11.107) 12.461 3.916 ( 6.269 1.673 -0.038) 6.488 3.934 ( 5.325 3.206 -5.027) 7.995 4.070 ( -7.685 -0.772 -0.100) 7.724 4.170 ( 0.391 -1.740 6.650) 6.885 4.397 ( -4.784 -2.618 1.169) 5.577 4.515 ( 8.580 8.610 16.714) 20.667 4.588 ( -5.868 -6.726 -1.287) 9.018 4.759 ( -18.317 -3.674 -1.772) 18.765 4.801 ( 3.091 -0.691 0.367) 3.188 4.918 ( -4.566 0.612 -2.548) 5.265 5.184 ( 0.914 3.298 -2.011) 3.970 5.377 ( 0.888 0.699 -7.245) 7.333 5.496 ( 4.245 2.002 -8.063) 9.330 5.606 ( 7.327 2.521 -5.946) 9.767 5.897 ( 4.427 8.475 0.404) 9.570 6.092 ( 6.291 -1.210 -5.914) 8.719 6.288 ( 1.752 0.526 -1.195) 2.185 6.590 ( 10.469 -3.951 -0.071) 11.190 6.767 ( -3.474 3.272 0.271) 4.780 6.853 ( -2.123 -0.251 34.335) 34.401 7.133 ( 9.115 0.198 17.136) 19.410 7.334 ( 3.179 11.216 21.069) 24.079 8.044 ( -1.367 -2.913 -21.549) 21.788 8.156 ( 2.192 0.573 -4.807) 5.314 8.168 ( -3.665 -2.592 -18.271) 18.814 8.502 ( 3.689 -2.089 -25.879) 26.224 8.573 ( -10.059 -3.524 -2.280) 10.900 9.030 ( -3.211 -1.559 -8.349) 9.080 9.534 ( 0.400 -7.083 4.405) 8.350 9.886 ( 4.059 4.814 -12.336) 13.850 10.054 ( 6.545 0.543 1.779) 6.804 10.254 ( 3.845 8.622 -4.599) 10.502 10.602 ( -2.472 -10.683 2.147) 11.173 10.830 ( -5.189 4.012 0.868) 6.617 10.890 ( 0.075 0.336 0.814) 0.884 11.095 ( 3.272 -5.657 1.124) 6.631 11.235 ( 2.043 3.541 -0.019) 4.088 11.316 ( -2.420 3.449 -2.333) 4.816 11.368 ( 0.687 -3.226 3.124) 4.543 11.661 ( -0.778 6.585 0.847) 6.685 12.100 ( -3.491 -5.385 7.393) 9.790 12.226 ( -3.826 1.388 12.334) 12.988 12.454 ( 3.570 1.546 -3.540) 5.260 13.530 ( -5.478 -4.623 -6.776) 9.864 14.353 ( -0.646 -0.097 -5.722) 5.759 14.776 ( 4.713 2.841 5.034) 7.458 15.651 ( -3.683 -1.818 -0.695) 4.166 15.743 ( -1.107 0.101 -0.448) 1.198 15.884 ( -4.491 -1.321 -2.206) 5.175 16.201 ( 4.918 0.794 3.626) 6.162 16.354 ( 1.558 1.549 2.082) 3.027 16.758 ( -7.460 -1.323 5.846) 9.569 17.128 ( -2.649 -7.274 7.309) 10.647 17.249 ( -6.524 -0.200 7.297) 9.790 17.479 ( 0.125 0.169 -10.841) 10.843 17.735 ( 0.337 -4.735 -10.566) 11.583 18.233 ( -1.087 1.890 3.265) 3.926 18.422 ( 7.214 5.630 3.535) 9.810 ======================= Grid point 88 (32/65) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -25.027 -13.806 2.329) 28.677 2.156 ( -29.022 -10.152 1.583) 30.787 2.988 ( 2.645 2.722 10.613) 11.272 3.204 ( 5.618 0.205 17.236) 18.129 3.444 ( 2.099 -0.052 2.809) 3.507 3.482 ( -6.655 -1.618 0.162) 6.851 3.510 ( -16.610 -6.012 -7.018) 19.008 3.810 ( -3.027 -3.617 -3.306) 5.760 3.911 ( -1.667 4.651 -6.071) 7.828 4.009 ( 6.428 1.355 0.470) 6.586 4.016 ( 3.292 -5.028 2.562) 6.533 4.264 ( 1.939 -0.149 4.563) 4.960 4.290 ( -8.127 -4.339 -2.806) 9.631 4.355 ( -5.573 1.567 -2.842) 6.449 4.601 ( -4.642 0.259 0.550) 4.682 4.770 ( 7.183 -1.794 -0.418) 7.416 4.848 ( 2.549 2.190 -0.940) 3.490 4.927 ( 0.603 -3.827 8.774) 9.592 5.252 ( 2.485 5.902 4.263) 7.693 5.319 ( -0.029 0.390 -2.771) 2.799 5.461 ( 1.580 2.599 -6.594) 7.262 5.729 ( 12.771 4.689 -0.942) 13.637 5.919 ( -1.276 0.135 -3.667) 3.885 6.141 ( 5.772 5.269 -4.984) 9.270 6.282 ( 0.759 4.219 -4.399) 6.142 6.642 ( -2.159 -1.715 1.488) 3.133 6.842 ( 13.018 1.651 -3.707) 13.636 7.079 ( -1.100 0.180 2.654) 2.879 7.416 ( 12.149 -0.152 0.121) 12.150 7.691 ( 3.856 8.324 15.299) 17.839 7.901 ( -0.345 0.291 -4.180) 4.204 7.916 ( 1.853 3.061 6.460) 7.385 8.184 ( 3.157 -1.447 -25.007) 25.246 8.268 ( 1.337 -3.328 5.602) 6.652 8.358 ( -15.213 -5.337 0.676) 16.136 8.936 ( -2.127 -0.760 0.218) 2.270 9.548 ( 5.156 -7.064 -0.512) 8.760 9.843 ( -1.485 11.485 -7.963) 14.054 10.147 ( 7.547 -2.712 -0.089) 8.020 10.280 ( 2.430 1.028 -5.532) 6.130 10.562 ( -0.039 -2.839 4.461) 5.288 10.778 ( -8.138 6.085 -0.348) 10.168 10.936 ( 4.347 -0.081 1.338) 4.549 11.082 ( 3.231 -9.377 0.013) 9.918 11.260 ( 1.348 2.283 -4.169) 4.941 11.306 ( -2.917 5.457 0.383) 6.200 11.424 ( 1.115 -4.747 8.949) 10.191 11.687 ( -4.595 5.595 0.933) 7.300 12.059 ( -2.800 -3.961 0.503) 4.877 12.322 ( -3.642 -0.965 5.251) 6.462 12.432 ( 2.810 1.172 -1.352) 3.331 13.345 ( -7.425 -2.871 -6.711) 10.412 14.312 ( -0.934 -0.183 0.081) 0.955 14.903 ( 5.745 2.286 1.332) 6.325 15.581 ( -5.441 -2.296 1.534) 6.101 15.732 ( -1.734 0.034 1.838) 2.527 15.800 ( -3.798 -1.883 -0.169) 4.243 16.310 ( 5.197 0.563 2.306) 5.713 16.376 ( 0.653 1.382 -3.026) 3.391 16.715 ( -7.376 -0.086 3.927) 8.357 17.004 ( -7.216 -9.606 0.514) 12.026 17.352 ( -1.366 3.009 10.765) 11.261 17.401 ( 0.147 0.342 -3.434) 3.454 17.557 ( -3.534 -4.347 -8.748) 10.388 18.248 ( -1.010 0.480 0.336) 1.168 18.573 ( 7.467 4.312 -1.029) 8.684 ======================= Grid point 89 (33/65) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -25.361 -13.272 15.145) 32.383 1.773 ( -28.742 -7.529 11.106) 31.719 2.954 ( -40.920 -10.606 6.989) 42.846 3.123 ( 4.305 -0.468 3.645) 5.660 3.345 ( 3.076 -4.560 -1.948) 5.835 3.528 ( 2.469 -2.312 -0.711) 3.457 3.550 ( 1.848 0.025 6.173) 6.444 3.673 ( -1.335 0.398 2.518) 2.878 3.894 ( -0.472 0.357 -5.769) 5.799 3.972 ( -0.706 2.512 -5.474) 6.064 4.113 ( -6.324 2.669 -0.074) 6.864 4.187 ( 1.893 1.617 9.789) 10.101 4.318 ( 3.662 -4.508 3.214) 6.638 4.398 ( 3.968 2.437 -0.149) 4.659 4.596 ( 0.924 4.660 -2.754) 5.491 4.764 ( 4.724 -5.260 -5.912) 9.216 4.846 ( -1.667 -1.040 3.082) 3.656 5.012 ( 3.698 -7.779 7.814) 11.629 5.271 ( 1.626 0.298 -5.069) 5.331 5.439 ( -1.595 7.012 -3.178) 7.862 5.465 ( 2.923 3.622 13.379) 14.165 5.834 ( -4.100 -2.891 -2.281) 5.511 5.961 ( 15.608 4.994 0.908) 16.413 6.155 ( 2.951 5.081 -10.080) 11.668 6.284 ( -0.325 8.686 -3.681) 9.440 6.602 ( -2.126 -2.286 -1.311) 3.386 6.819 ( 5.702 -3.218 -28.768) 29.504 6.914 ( 0.702 1.613 -22.756) 22.824 7.376 ( 8.263 1.600 -22.643) 24.157 7.818 ( 4.368 -1.903 -25.332) 25.776 7.985 ( 0.942 1.711 17.496) 17.605 8.070 ( -4.562 -1.995 10.618) 11.727 8.102 ( -4.550 -1.574 12.380) 13.283 8.333 ( 3.859 5.314 24.846) 25.699 8.434 ( 2.991 0.506 20.618) 20.840 9.019 ( 2.266 0.371 16.286) 16.447 9.508 ( 5.887 -5.215 -11.728) 14.121 9.853 ( -4.797 10.960 1.373) 12.042 10.195 ( 2.654 -1.597 -0.124) 3.100 10.283 ( 10.522 -2.365 -4.839) 11.820 10.589 ( -5.200 -0.042 3.475) 6.255 10.748 ( -2.420 8.109 -0.048) 8.462 11.015 ( 5.441 -0.712 0.744) 5.537 11.050 ( 3.208 -9.286 -0.305) 9.829 11.227 ( -2.893 1.627 -2.395) 4.093 11.299 ( -1.721 3.283 -1.508) 4.001 11.509 ( 0.740 -4.952 9.300) 10.562 11.646 ( -7.033 2.268 1.430) 7.526 12.004 ( 0.615 -1.215 -4.050) 4.272 12.196 ( -4.593 -1.931 -8.585) 9.926 12.617 ( 7.488 2.076 17.347) 19.008 13.127 ( -10.968 -1.285 -8.543) 13.962 14.318 ( -1.822 -0.504 4.095) 4.510 14.978 ( 5.380 1.278 -3.555) 6.574 15.524 ( -5.632 -2.081 5.208) 7.948 15.742 ( -2.767 -0.218 4.747) 5.498 15.767 ( -0.886 -1.675 2.798) 3.380 16.308 ( -0.111 1.572 -9.139) 9.274 16.403 ( 3.653 -0.288 1.623) 4.008 16.621 ( -6.934 -1.364 -4.330) 8.288 16.885 ( -3.064 -5.925 2.262) 7.043 17.315 ( -2.557 -2.761 -8.231) 9.051 17.460 ( -3.465 2.173 9.973) 10.779 17.506 ( -1.332 0.350 9.654) 9.751 18.221 ( -1.413 -0.260 -2.622) 2.990 18.645 ( 5.931 2.840 -7.058) 9.647 ======================= Grid point 90 (34/65) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -23.573 -8.902 19.274) 31.724 1.563 ( -25.733 -6.357 20.515) 33.518 2.549 ( -38.803 -5.551 30.125) 49.437 3.206 ( 9.917 -4.664 -2.434) 11.226 3.325 ( 7.049 -6.936 -5.354) 11.245 3.460 ( 0.400 -1.332 -2.458) 2.824 3.610 ( -1.533 -1.456 3.863) 4.404 3.747 ( -1.740 3.421 -0.120) 3.840 3.849 ( -1.203 2.531 -3.865) 4.775 3.915 ( -3.175 2.650 5.059) 6.534 4.051 ( -2.349 6.174 -7.272) 9.824 4.272 ( -0.174 -2.298 -1.198) 2.597 4.451 ( 3.035 0.666 0.415) 3.135 4.484 ( 5.626 -1.408 14.665) 15.770 4.587 ( -0.101 3.493 2.385) 4.230 4.707 ( 2.528 -4.894 -3.906) 6.753 4.952 ( 5.982 -0.044 8.566) 10.449 5.061 ( 5.237 -8.802 1.520) 10.354 5.258 ( 1.970 -3.044 0.289) 3.638 5.431 ( -3.931 9.677 -2.487) 10.737 5.635 ( -1.043 -0.096 7.829) 7.898 5.724 ( -7.477 -0.011 -0.631) 7.503 6.055 ( 0.646 3.372 -17.172) 17.512 6.166 ( 8.657 5.286 -5.959) 11.764 6.285 ( -2.920 5.237 -14.674) 15.852 6.446 ( 2.985 -0.228 -24.016) 24.202 6.468 ( -0.721 -4.425 -12.652) 13.423 6.702 ( -6.872 -0.843 -1.776) 7.148 7.234 ( 7.396 2.503 -22.116) 23.454 7.532 ( 1.192 -3.728 -23.985) 24.302 7.899 ( -11.504 -2.341 1.209) 11.802 8.210 ( 2.053 0.538 13.431) 13.597 8.414 ( 6.098 0.759 22.930) 23.739 8.678 ( 5.986 -2.732 24.863) 25.720 8.830 ( 0.430 7.938 29.559) 30.609 9.299 ( 9.560 1.533 10.634) 14.381 9.387 ( 6.158 -2.339 -14.820) 16.218 9.873 ( -5.691 6.650 0.435) 8.764 10.230 ( 2.649 0.279 0.006) 2.664 10.338 ( 7.100 -1.595 -7.519) 10.464 10.565 ( -1.005 0.422 5.409) 5.518 10.774 ( -0.629 7.961 -5.292) 9.580 11.003 ( 0.850 -7.613 -0.106) 7.661 11.071 ( 3.543 -3.727 -1.442) 5.341 11.173 ( -4.746 2.737 0.596) 5.511 11.285 ( -0.899 1.048 -1.422) 1.982 11.552 ( -1.852 -0.757 4.111) 4.572 11.645 ( -0.697 -2.856 9.045) 9.511 11.955 ( 1.969 0.134 -7.437) 7.695 12.041 ( -1.509 -1.915 -8.783) 9.115 12.841 ( -14.965 0.817 -11.332) 18.789 13.103 ( 22.765 4.122 29.533) 37.516 14.343 ( -2.724 -0.502 6.180) 6.772 14.978 ( 4.116 0.300 -8.340) 9.305 15.559 ( -0.740 -0.176 10.919) 10.946 15.758 ( -2.187 -2.320 5.665) 6.501 15.829 ( 2.052 0.841 7.642) 7.957 16.200 ( -0.626 2.550 -10.684) 11.002 16.433 ( -1.674 -3.072 -5.771) 6.748 16.462 ( 0.442 -2.520 -1.943) 3.213 16.860 ( -1.919 -2.600 2.590) 4.141 17.205 ( 0.479 -2.796 -3.073) 4.182 17.538 ( -5.638 4.369 10.227) 12.469 17.647 ( -0.712 1.149 15.007) 15.068 18.149 ( -1.799 -0.764 -5.609) 5.940 18.585 ( 0.021 0.528 -13.640) 13.650 ======================= Grid point 94 (35/65) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.651 ( 0.000 -2.043 14.318) 14.463 2.719 ( -0.000 4.042 25.349) 25.670 2.952 ( 0.000 -10.872 -4.694) 11.842 3.223 ( 0.000 -1.679 -0.346) 1.715 3.246 ( 0.000 -3.768 0.827) 3.858 3.369 ( 0.000 -9.892 4.244) 10.764 3.620 ( 0.000 -4.488 -3.464) 5.670 3.792 ( -0.000 6.802 -11.559) 13.412 3.869 ( -0.000 0.382 -4.015) 4.033 3.929 ( -0.000 2.309 1.188) 2.597 3.939 ( -0.000 2.835 -4.211) 5.077 4.371 ( 0.000 -4.942 6.076) 7.832 4.376 ( -0.000 10.220 20.051) 22.505 4.484 ( 0.000 -6.023 2.522) 6.529 4.639 ( -0.000 0.583 -0.770) 0.966 4.728 ( -0.000 1.191 1.156) 1.660 4.980 ( -0.000 3.526 -3.016) 4.640 5.060 ( -0.000 1.384 -11.029) 11.116 5.351 ( -0.000 0.886 -0.799) 1.193 5.388 ( -0.000 3.665 1.946) 4.149 5.411 ( 0.000 -0.653 -1.034) 1.223 5.520 ( -0.000 0.797 -6.976) 7.021 5.654 ( -0.000 3.786 -4.683) 6.022 6.004 ( 0.000 -1.453 -8.693) 8.813 6.264 ( -0.000 3.272 1.239) 3.498 6.403 ( 0.000 -5.900 -6.813) 9.012 6.837 ( -0.000 5.847 -3.484) 6.806 6.889 ( 0.000 -3.421 38.028) 38.182 7.011 ( 0.000 0.717 15.185) 15.202 7.288 ( -0.000 11.477 20.087) 23.134 8.069 ( 0.000 -5.092 -22.936) 23.494 8.130 ( -0.000 -0.441 -6.238) 6.254 8.254 ( 0.000 -4.319 -17.576) 18.098 8.387 ( -0.000 0.644 -27.081) 27.089 8.736 ( 0.000 -3.135 5.320) 6.175 9.111 ( 0.000 -3.318 -9.801) 10.348 9.524 ( 0.000 -7.326 -1.023) 7.397 9.756 ( 0.000 -2.521 -8.311) 8.685 10.008 ( -0.000 8.879 0.636) 8.902 10.189 ( -0.000 8.287 -2.869) 8.769 10.651 ( 0.000 -9.343 1.277) 9.430 10.845 ( 0.000 -4.067 2.264) 4.655 10.919 ( -0.000 2.347 -1.391) 2.728 11.082 ( -0.000 2.713 1.182) 2.960 11.197 ( 0.000 -0.484 0.685) 0.839 11.341 ( -0.000 1.398 -6.094) 6.253 11.361 ( 0.000 -1.987 5.293) 5.653 11.666 ( -0.000 8.315 1.373) 8.428 12.151 ( 0.000 -5.582 10.364) 11.771 12.332 ( -0.000 1.105 6.845) 6.933 12.364 ( -0.000 1.937 2.970) 3.546 13.599 ( 0.000 -4.140 -9.285) 10.166 14.361 ( -0.000 0.152 -6.316) 6.318 14.709 ( -0.000 2.553 4.966) 5.584 15.703 ( 0.000 -1.991 -0.497) 2.052 15.759 ( -0.000 0.316 -0.687) 0.756 15.981 ( -0.000 2.286 0.810) 2.426 16.101 ( 0.000 -3.310 1.494) 3.631 16.330 ( -0.000 2.678 2.074) 3.388 16.883 ( 0.000 -1.880 4.490) 4.868 17.111 ( 0.000 1.297 11.460) 11.534 17.443 ( 0.000 -13.325 1.403) 13.399 17.472 ( -0.000 0.168 -8.909) 8.911 17.668 ( 0.000 -2.378 -6.101) 6.548 18.276 ( 0.000 0.248 2.395) 2.408 18.293 ( -0.000 10.287 2.144) 10.508 ======================= Grid point 95 (36/65) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -13.716 -12.008 1.871) 18.326 2.802 ( -17.342 -7.895 4.742) 19.636 3.042 ( 0.208 -0.249 19.227) 19.230 3.080 ( -7.757 0.246 8.572) 11.563 3.319 ( 8.511 -2.939 3.053) 9.508 3.458 ( 2.096 -3.893 -3.729) 5.784 3.606 ( 12.315 -3.895 2.723) 13.200 3.749 ( -1.098 -3.814 -8.795) 9.649 3.798 ( 4.329 4.947 -1.951) 6.857 3.917 ( -1.284 4.072 0.911) 4.366 4.047 ( 5.986 1.572 2.732) 6.765 4.326 ( -6.547 -5.612 2.280) 8.920 4.409 ( -2.734 -4.680 -3.547) 6.478 4.624 ( -1.984 0.825 -0.214) 2.159 4.633 ( 0.685 2.044 5.263) 5.688 4.747 ( 1.463 3.263 2.419) 4.317 4.940 ( -2.233 2.125 -0.388) 3.107 5.016 ( -12.320 -0.685 1.205) 12.398 5.181 ( -10.166 4.784 -3.820) 11.867 5.365 ( -2.375 -0.937 0.862) 2.695 5.410 ( 0.792 2.652 -2.974) 4.063 5.485 ( 5.475 1.854 -2.842) 6.441 5.861 ( 12.399 8.508 -2.596) 15.260 5.934 ( 8.193 0.909 -4.982) 9.632 6.253 ( -0.970 0.436 -2.969) 3.154 6.387 ( 10.003 -2.282 -4.193) 11.083 6.827 ( -3.301 4.251 -1.556) 5.602 7.104 ( 0.426 -0.915 -4.102) 4.224 7.194 ( 3.390 -1.675 9.251) 9.994 7.613 ( 1.901 11.776 15.515) 19.570 7.870 ( 0.933 -1.312 -3.268) 3.643 7.930 ( -0.965 1.666 -6.531) 6.809 8.111 ( 1.904 -1.375 -20.561) 20.694 8.245 ( 0.429 -7.329 9.112) 11.702 8.703 ( -8.571 -4.916 2.709) 10.245 8.993 ( -2.294 -0.726 -2.860) 3.738 9.449 ( 1.617 -4.640 -5.660) 7.495 9.714 ( 7.894 3.636 -9.129) 12.605 10.077 ( -0.579 5.247 2.615) 5.891 10.252 ( 0.302 5.944 1.476) 6.132 10.569 ( -0.282 -7.144 -1.663) 7.340 10.846 ( 1.528 -2.820 1.038) 3.371 10.912 ( -0.169 0.221 -1.120) 1.154 11.077 ( -3.757 -1.481 1.049) 4.173 11.216 ( 1.290 2.935 -2.270) 3.928 11.310 ( 2.242 1.033 -0.433) 2.506 11.420 ( -0.523 -2.574 7.286) 7.745 11.746 ( -0.634 8.761 1.222) 8.868 12.160 ( -3.139 -7.143 2.489) 8.190 12.381 ( -1.106 0.698 6.806) 6.931 12.402 ( 0.158 -0.133 -2.220) 2.229 13.462 ( -1.952 -0.745 -9.072) 9.310 14.325 ( -0.184 0.271 -0.117) 0.348 14.784 ( 2.723 1.805 1.836) 3.748 15.683 ( -2.058 -2.110 1.999) 3.561 15.760 ( -0.469 0.096 1.213) 1.304 15.947 ( -6.766 -0.841 1.266) 6.935 16.152 ( 6.644 -1.037 1.339) 6.856 16.360 ( 0.435 2.163 -1.010) 2.427 16.895 ( -4.806 -0.848 5.214) 7.141 17.180 ( -5.131 -5.869 -0.972) 7.856 17.357 ( 0.880 -4.926 3.908) 6.349 17.401 ( -0.193 1.755 -0.544) 1.848 17.601 ( -0.049 -3.798 -4.079) 5.573 18.276 ( -1.114 1.244 -0.820) 1.860 18.404 ( 4.494 6.815 -0.755) 8.198 ======================= Grid point 96 (37/65) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -22.559 -9.953 13.797) 28.255 2.493 ( -25.275 -7.349 6.174) 27.036 3.054 ( -1.190 -4.474 0.814) 4.701 3.191 ( 4.440 -10.199 -2.262) 11.351 3.408 ( 5.647 -2.361 0.954) 6.195 3.475 ( 4.262 0.459 5.714) 7.143 3.631 ( -5.350 1.122 3.290) 6.380 3.810 ( 7.858 3.781 2.612) 9.103 3.879 ( 0.659 0.410 0.241) 0.813 3.981 ( 1.258 -0.024 2.551) 2.844 4.084 ( -5.791 -3.865 6.891) 9.796 4.223 ( -1.724 -5.747 -0.945) 6.074 4.315 ( -0.379 2.010 -2.066) 2.907 4.538 ( -10.675 -1.682 0.786) 10.835 4.614 ( 1.319 -0.256 -2.330) 2.690 4.696 ( -16.658 1.852 -6.389) 17.937 4.850 ( 1.928 -0.772 0.037) 2.077 4.966 ( 0.369 -1.057 3.861) 4.020 5.210 ( 4.152 2.174 -2.350) 5.243 5.386 ( 0.716 1.195 7.057) 7.193 5.444 ( 1.075 4.663 2.738) 5.513 5.607 ( 10.340 3.497 1.416) 11.007 5.865 ( 2.358 0.570 -3.813) 4.520 6.106 ( 2.729 12.923 -6.096) 14.547 6.257 ( 4.046 4.914 -2.059) 6.690 6.445 ( 14.428 -5.801 -10.358) 18.685 6.733 ( -3.803 0.746 -17.758) 18.176 6.908 ( 0.500 0.835 -16.789) 16.817 7.176 ( 5.956 -1.186 -17.039) 18.089 7.688 ( 4.083 1.044 -18.822) 19.288 7.967 ( 1.926 0.325 13.255) 13.398 8.035 ( -0.791 0.468 19.061) 19.083 8.174 ( 2.679 6.737 20.154) 21.418 8.361 ( 1.909 -4.197 19.729) 20.261 8.528 ( -13.473 -3.381 1.210) 13.944 9.001 ( -0.259 0.146 7.099) 7.105 9.371 ( 3.831 -2.142 -10.205) 11.109 9.780 ( 10.105 9.612 -9.794) 17.042 10.132 ( -1.368 1.824 4.568) 5.105 10.247 ( -3.751 -2.856 0.211) 4.719 10.579 ( 4.215 1.098 2.726) 5.139 10.871 ( 3.526 -1.582 0.287) 3.875 10.890 ( -2.070 1.443 -1.551) 2.962 11.008 ( -3.343 -5.319 0.760) 6.328 11.215 ( 1.152 2.413 -3.271) 4.225 11.359 ( 0.524 3.571 -0.559) 3.653 11.487 ( 0.522 -5.691 10.653) 12.090 11.788 ( -2.767 6.589 -0.824) 7.193 12.047 ( -3.606 -7.353 -3.151) 8.775 12.309 ( -3.978 -1.561 -7.762) 8.861 12.485 ( 3.162 0.412 8.960) 9.510 13.326 ( -4.525 2.698 -9.162) 10.569 14.351 ( -0.733 0.095 4.914) 4.969 14.840 ( 4.562 0.633 -2.287) 5.143 15.663 ( -4.095 -2.301 4.377) 6.421 15.776 ( -0.523 -0.729 3.055) 3.184 15.868 ( -6.197 -1.330 2.472) 6.803 16.239 ( 5.852 -0.757 -1.008) 5.987 16.348 ( 0.112 1.347 -3.078) 3.362 16.847 ( -9.317 0.980 -1.254) 9.452 16.982 ( -4.398 -9.129 -3.301) 10.658 17.336 ( 1.634 -3.343 -6.471) 7.464 17.511 ( -0.848 0.009 9.977) 10.013 17.560 ( -2.049 1.370 7.422) 7.821 18.250 ( -0.718 0.838 -3.048) 3.242 18.480 ( 5.675 4.392 -5.245) 8.888 ======================= Grid point 97 (38/65) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -25.403 -7.381 15.058) 30.439 2.245 ( -25.820 -4.017 15.977) 30.628 2.983 ( 5.875 -10.063 -8.205) 14.251 3.075 ( 5.630 -12.985 -9.415) 16.998 3.448 ( 0.709 -0.703 2.117) 2.341 3.567 ( -15.355 -4.428 8.084) 17.909 3.635 ( -10.688 -1.121 9.941) 14.639 3.748 ( 1.543 2.659 -1.172) 3.290 3.863 ( -2.838 5.833 -3.518) 7.379 3.979 ( -0.652 2.126 3.830) 4.429 4.199 ( 3.745 -5.711 0.780) 6.873 4.246 ( -3.598 1.752 8.604) 9.489 4.342 ( 4.860 0.525 2.211) 5.365 4.409 ( -7.672 1.278 7.169) 10.578 4.570 ( 4.073 -1.055 -5.602) 7.006 4.611 ( -0.149 1.980 -0.497) 2.047 4.817 ( 5.108 -6.961 -5.436) 10.202 4.995 ( -0.679 -2.845 4.582) 5.436 5.221 ( 1.545 -1.054 -1.194) 2.219 5.500 ( -0.602 7.000 3.159) 7.704 5.592 ( 3.111 3.431 11.837) 12.711 5.796 ( 9.505 2.103 0.928) 9.779 5.886 ( 3.014 4.176 -0.232) 5.155 6.062 ( -2.817 8.011 -13.674) 16.096 6.304 ( 2.892 6.675 -16.314) 17.862 6.383 ( 4.333 1.387 -25.107) 25.516 6.401 ( 4.691 -5.246 -12.785) 14.594 6.840 ( -4.062 -0.076 2.683) 4.868 7.035 ( 7.215 0.328 -20.508) 21.742 7.468 ( 3.206 -3.797 -22.113) 22.665 8.162 ( 0.799 -1.534 10.447) 10.589 8.248 ( -13.023 -1.448 -0.390) 13.109 8.281 ( 3.836 -0.132 23.439) 23.751 8.544 ( 2.871 -0.334 24.428) 24.598 8.763 ( 4.145 9.358 30.337) 32.017 9.129 ( 3.763 0.031 9.374) 10.101 9.266 ( 3.450 -0.482 -15.394) 15.783 9.869 ( 8.891 13.406 -12.909) 20.626 10.168 ( -1.283 -1.984 4.724) 5.282 10.197 ( -0.344 -1.689 0.926) 1.956 10.673 ( 0.168 0.621 3.842) 3.895 10.837 ( -5.111 3.406 -0.749) 6.188 10.923 ( 6.009 -2.469 0.133) 6.497 10.948 ( 0.791 -5.306 -1.947) 5.707 11.220 ( 1.124 1.734 -0.674) 2.174 11.348 ( -2.819 1.944 -1.726) 3.835 11.581 ( 0.355 -5.296 11.106) 12.309 11.748 ( -5.527 0.503 -0.301) 5.558 11.926 ( -0.085 -3.959 -5.675) 6.920 12.124 ( -4.776 -2.589 -10.823) 12.110 12.704 ( 10.089 0.469 15.262) 18.301 13.161 ( -9.023 5.767 -10.619) 15.081 14.407 ( -1.967 0.066 7.562) 7.814 14.853 ( 5.001 -0.510 -6.604) 8.300 15.648 ( -4.751 -1.905 6.723) 8.450 15.797 ( -0.431 -2.518 3.189) 4.086 15.848 ( -3.233 0.062 6.466) 7.230 16.217 ( -0.115 2.037 -9.118) 9.344 16.358 ( 3.451 -2.639 0.912) 4.439 16.619 ( -9.037 -3.278 -10.834) 14.484 16.922 ( -2.731 -3.035 4.418) 6.016 17.218 ( -0.686 -3.487 -8.113) 8.857 17.611 ( -0.563 -0.222 11.786) 11.802 17.697 ( -2.139 4.571 12.557) 13.533 18.197 ( -1.532 -0.080 -4.348) 4.610 18.492 ( 5.370 2.247 -9.967) 11.542 ======================= Grid point 98 (39/65) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -22.935 -3.026 19.040) 29.961 2.089 ( -24.921 -1.201 17.901) 30.708 2.887 ( 12.251 -13.014 -13.211) 22.226 2.976 ( 8.885 -12.111 -7.268) 16.686 3.326 ( -24.633 -4.970 17.317) 30.518 3.494 ( -0.481 1.319 5.473) 5.650 3.669 ( -0.574 -2.185 3.831) 4.447 3.782 ( -0.943 1.559 -1.966) 2.681 3.858 ( -3.384 9.348 -1.297) 10.026 4.022 ( -1.501 3.731 3.653) 5.433 4.153 ( -10.017 6.021 0.577) 11.701 4.227 ( 1.335 -2.478 -0.485) 2.856 4.362 ( 4.626 -1.563 -7.127) 8.639 4.502 ( 0.999 0.597 0.900) 1.471 4.567 ( 3.114 -5.645 -0.826) 6.499 4.784 ( 10.466 -7.428 0.964) 12.870 4.813 ( 5.601 -1.033 22.073) 22.796 5.038 ( 0.447 -1.804 6.510) 6.770 5.205 ( 1.543 -4.279 -2.122) 5.020 5.501 ( -4.354 8.190 -16.135) 18.611 5.695 ( -2.798 5.428 -2.746) 6.696 5.823 ( -4.370 0.927 1.664) 4.767 5.918 ( 2.022 3.483 -3.971) 5.656 6.042 ( 8.525 4.454 -1.823) 9.790 6.094 ( 1.495 -0.466 -14.287) 14.372 6.181 ( 0.938 1.309 -20.117) 20.182 6.462 ( 0.791 6.063 7.032) 9.318 6.821 ( -6.544 -2.163 6.989) 9.815 6.918 ( 7.773 1.841 -18.260) 19.931 7.237 ( 1.758 -5.677 -17.674) 18.646 8.052 ( -12.297 -0.033 -0.334) 12.301 8.268 ( 4.441 -4.428 6.644) 9.137 8.617 ( 4.430 1.410 23.264) 23.724 8.866 ( 4.262 -1.453 22.433) 22.880 9.084 ( 0.065 1.435 -14.556) 14.627 9.182 ( 6.747 3.358 2.083) 7.819 9.312 ( 4.963 4.921 19.432) 20.651 9.876 ( 3.360 11.566 -18.025) 21.679 10.190 ( 0.842 -0.253 0.260) 0.916 10.222 ( 3.143 -0.924 1.428) 3.574 10.662 ( -4.662 -2.694 4.813) 7.222 10.785 ( -4.707 4.727 -6.858) 9.568 10.922 ( 4.463 -4.087 0.867) 6.114 10.985 ( 4.871 -2.017 0.152) 5.274 11.243 ( -2.261 1.762 1.035) 3.047 11.301 ( -1.771 -0.132 -0.721) 1.917 11.639 ( -3.431 -0.853 5.837) 6.824 11.718 ( -0.640 -5.595 8.294) 10.025 11.841 ( 1.072 -2.035 -7.154) 7.515 11.923 ( -2.076 -3.444 -11.848) 12.512 12.930 ( -14.103 7.919 -12.429) 20.398 13.106 ( 19.825 -0.784 19.052) 27.506 14.467 ( -3.373 0.554 8.463) 9.127 14.811 ( 4.302 -1.191 -10.198) 11.132 15.681 ( -1.641 -0.592 8.014) 8.202 15.800 ( -0.383 -3.532 2.083) 4.118 15.920 ( -0.349 1.194 8.975) 9.061 16.120 ( -0.434 3.155 -8.731) 9.294 16.366 ( -4.999 -3.452 -8.350) 10.327 16.398 ( 2.828 -6.054 1.013) 6.758 16.921 ( -3.356 -0.048 3.815) 5.081 17.125 ( 1.862 -3.218 -4.148) 5.570 17.739 ( -1.862 3.211 10.699) 11.325 17.847 ( -0.759 4.392 10.912) 11.787 18.111 ( -3.712 -0.927 -3.529) 5.205 18.421 ( 2.499 -0.353 -12.808) 13.055 ======================= Grid point 103 (40/65) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.661 ( 0.000 -9.016 14.210) 16.829 2.951 ( -0.000 -10.660 2.549) 10.961 3.054 ( 0.000 -4.161 -0.801) 4.237 3.216 ( 0.000 -5.231 -0.316) 5.241 3.300 ( 0.000 -7.850 4.944) 9.277 3.418 ( -0.000 -7.830 -1.970) 8.074 3.427 ( 0.000 1.853 4.617) 4.975 3.732 ( 0.000 2.698 7.018) 7.519 3.846 ( 0.000 4.280 8.687) 9.684 4.002 ( -0.000 5.179 -0.146) 5.181 4.050 ( 0.000 0.162 7.141) 7.143 4.310 ( -0.000 -6.648 -3.117) 7.343 4.314 ( 0.000 -2.158 -6.911) 7.240 4.603 ( 0.000 2.111 -4.480) 4.953 4.652 ( 0.000 0.091 -5.521) 5.522 4.803 ( 0.000 -0.166 1.919) 1.926 5.014 ( -0.000 3.826 3.091) 4.919 5.036 ( 0.000 0.083 2.064) 2.065 5.361 ( -0.000 0.802 1.077) 1.343 5.413 ( 0.000 0.716 1.922) 2.051 5.463 ( 0.000 3.009 5.374) 6.159 5.495 ( -0.000 4.430 -3.418) 5.596 5.645 ( 0.000 5.215 -4.362) 6.799 5.821 ( 0.000 1.601 -4.760) 5.022 6.257 ( 0.000 3.363 -5.965) 6.848 6.270 ( -0.000 0.540 -0.161) 0.564 6.817 ( -0.000 -0.956 -37.033) 37.045 6.879 ( 0.000 3.869 0.807) 3.952 7.100 ( 0.000 -2.001 -15.538) 15.666 7.634 ( 0.000 2.119 -19.656) 19.770 7.929 ( 0.000 1.289 16.273) 16.324 8.068 ( 0.000 -1.171 16.739) 16.780 8.127 ( 0.000 8.026 20.521) 22.035 8.331 ( 0.000 -6.607 18.742) 19.872 8.745 ( 0.000 -4.645 0.202) 4.649 9.013 ( 0.000 0.912 3.613) 3.726 9.332 ( 0.000 -0.200 -9.895) 9.897 9.584 ( 0.000 6.050 -9.000) 10.845 10.156 ( 0.000 5.577 3.140) 6.400 10.362 ( 0.000 3.612 8.359) 9.106 10.460 ( 0.000 -6.569 -5.943) 8.858 10.819 ( 0.000 -2.924 0.025) 2.924 10.889 ( 0.000 -1.827 -0.403) 1.871 11.126 ( -0.000 0.986 0.131) 0.995 11.222 ( 0.000 3.069 -0.663) 3.140 11.281 ( 0.000 1.203 -0.792) 1.441 11.488 ( 0.000 -4.645 8.887) 10.028 11.815 ( 0.000 7.120 -0.801) 7.165 12.110 ( 0.000 -8.731 -4.089) 9.641 12.383 ( 0.000 -0.476 -3.044) 3.081 12.431 ( 0.000 -0.870 3.379) 3.490 13.381 ( 0.000 4.130 -9.314) 10.189 14.359 ( 0.000 0.333 5.301) 5.312 14.775 ( 0.000 0.327 -1.698) 1.730 15.716 ( 0.000 -2.470 4.484) 5.119 15.782 ( 0.000 -0.446 2.227) 2.271 16.056 ( -0.001 -0.791 4.325) 4.397 16.058 ( 0.001 -1.832 -1.697) 2.498 16.350 ( 0.000 1.447 -2.847) 3.194 16.973 ( 0.000 -2.833 4.916) 5.674 17.117 ( 0.000 -0.215 -14.080) 14.082 17.252 ( 0.000 -9.191 -1.505) 9.313 17.517 ( 0.000 0.718 12.612) 12.632 17.591 ( 0.000 -0.224 3.323) 3.330 18.258 ( -0.000 1.109 -4.646) 4.776 18.400 ( 0.000 5.742 -3.554) 6.753 ======================= Grid point 105 (41/65) ======================= q-point: (-0.38 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -13.222 -6.078 17.177) 22.512 2.757 ( -12.469 -8.759 1.096) 15.278 2.934 ( 2.506 -14.777 -10.675) 18.401 3.043 ( -15.364 -8.293 -5.274) 18.239 3.293 ( 10.627 -2.531 3.497) 11.470 3.528 ( 15.420 -3.123 -1.981) 15.857 3.563 ( 0.807 0.381 10.432) 10.470 3.868 ( 1.213 2.323 7.781) 8.210 3.975 ( -4.042 4.412 4.668) 7.588 4.048 ( -2.425 -0.289 8.997) 9.323 4.128 ( 1.971 -4.585 5.098) 7.134 4.230 ( -0.112 -1.031 3.048) 3.220 4.269 ( 1.727 2.097 -4.053) 4.879 4.541 ( -2.088 0.702 -4.463) 4.977 4.583 ( 1.238 -1.034 -5.889) 6.106 4.735 ( 0.762 -6.213 -7.733) 9.949 5.000 ( -17.492 0.060 0.133) 17.492 5.064 ( -7.872 0.772 6.072) 9.971 5.173 ( -3.945 3.423 -2.209) 5.670 5.459 ( 1.823 1.142 7.205) 7.520 5.510 ( 3.904 3.811 4.870) 7.313 5.603 ( 2.000 4.009 8.974) 10.030 5.800 ( 5.482 6.738 -5.996) 10.555 5.907 ( 20.270 3.916 -10.210) 23.031 6.181 ( -2.526 2.547 -7.840) 8.621 6.259 ( 1.908 1.613 -22.768) 22.905 6.409 ( -0.546 1.443 -13.868) 13.954 6.898 ( 2.744 -1.125 -19.213) 19.441 6.918 ( -1.588 2.279 3.753) 4.669 7.399 ( 1.567 -2.721 -20.470) 20.709 8.135 ( 0.761 -3.619 7.808) 8.640 8.219 ( 1.060 -0.513 23.065) 23.095 8.443 ( -1.939 6.098 17.964) 19.069 8.600 ( -0.976 -1.148 21.542) 21.595 8.691 ( -2.701 2.613 11.981) 12.556 9.076 ( 0.661 1.458 3.518) 3.865 9.223 ( -0.238 3.079 -10.226) 10.682 9.595 ( 8.797 9.602 -11.290) 17.235 10.224 ( -1.402 5.091 2.482) 5.835 10.293 ( -5.984 -4.676 -1.175) 7.685 10.533 ( 7.669 -3.222 5.294) 9.860 10.809 ( 2.388 -2.426 -0.669) 3.469 10.890 ( -0.521 1.890 0.968) 2.187 11.090 ( -6.507 -0.573 0.951) 6.601 11.198 ( -0.905 2.717 -2.671) 3.916 11.333 ( 4.223 2.378 -2.030) 5.254 11.563 ( 0.353 -6.246 11.598) 13.178 11.832 ( -0.909 3.508 -2.165) 4.221 11.963 ( -1.855 -8.657 -6.614) 11.051 12.271 ( -5.383 -2.127 -8.013) 9.885 12.510 ( 5.272 -1.394 6.538) 8.514 13.308 ( -2.592 8.761 -9.557) 13.222 14.441 ( -0.641 0.508 8.742) 8.780 14.749 ( 2.378 -1.100 -5.122) 5.753 15.746 ( -2.099 -2.591 6.350) 7.173 15.802 ( 0.002 -1.587 2.492) 2.954 15.967 ( -5.568 -0.785 0.926) 5.699 16.146 ( 5.144 -1.234 -0.456) 5.310 16.318 ( -0.018 -0.446 -2.662) 2.699 16.874 ( -8.554 -2.100 -13.923) 16.475 16.980 ( -1.088 -4.052 3.536) 5.487 17.209 ( 1.533 -3.194 -4.114) 5.430 17.605 ( 0.715 -2.362 7.873) 8.251 17.721 ( -0.073 3.452 13.030) 13.480 18.203 ( 0.825 1.123 -6.636) 6.781 18.390 ( 1.578 3.444 -6.653) 7.656 ======================= Grid point 106 (42/65) ======================= q-point: (-0.25 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -20.266 -3.595 10.882) 23.282 2.634 ( -1.373 -12.834 -4.611) 13.706 2.735 ( 4.689 -16.292 -10.788) 20.095 2.749 ( -16.839 -5.158 2.184) 17.746 3.453 ( 5.313 -0.862 7.068) 8.884 3.629 ( 5.087 -1.268 -2.420) 5.774 3.678 ( 3.259 0.181 3.657) 4.902 3.841 ( -4.719 -0.173 -6.222) 7.811 3.989 ( -9.402 -0.367 7.315) 11.918 4.077 ( -1.987 0.509 0.429) 2.096 4.110 ( 5.036 -2.711 4.957) 7.569 4.260 ( 0.837 0.988 -3.609) 3.834 4.436 ( 5.322 -3.036 4.451) 7.572 4.480 ( 6.739 -6.935 -4.263) 10.568 4.534 ( -4.376 -1.372 4.753) 6.605 4.616 ( -9.370 1.089 -4.354) 10.389 4.791 ( -8.901 3.536 16.477) 19.058 5.090 ( -3.776 0.285 6.623) 7.629 5.166 ( 0.959 0.136 -3.301) 3.441 5.582 ( -1.308 8.758 -15.434) 17.794 5.689 ( 7.233 1.789 9.260) 11.886 5.702 ( 7.416 2.343 -5.983) 9.812 5.790 ( 2.345 3.424 1.076) 4.287 5.957 ( 8.606 3.607 -12.845) 15.877 6.028 ( 1.487 -2.487 -7.831) 8.350 6.088 ( 1.445 6.124 -11.340) 12.968 6.477 ( -1.082 6.276 9.378) 11.336 6.733 ( 5.286 0.257 -17.904) 18.670 6.961 ( -3.704 0.015 8.180) 8.979 7.184 ( 1.978 -5.142 -16.182) 17.094 8.161 ( 3.198 -8.027 3.281) 9.243 8.382 ( -11.190 -0.506 -3.550) 11.751 8.539 ( 1.451 2.363 25.098) 25.251 8.816 ( -0.547 2.158 21.789) 21.903 9.019 ( 5.135 2.892 -1.871) 6.183 9.080 ( 1.278 6.443 -0.029) 6.568 9.216 ( 1.146 6.525 11.880) 13.602 9.653 ( 10.507 12.180 -16.922) 23.347 10.196 ( -1.337 -2.941 -0.038) 3.231 10.250 ( -3.674 2.844 0.403) 4.663 10.662 ( 7.920 -6.881 7.091) 12.663 10.827 ( 4.542 -3.878 -1.269) 6.105 10.889 ( -4.225 4.726 -1.078) 6.431 10.987 ( -8.596 1.428 -1.512) 8.844 11.217 ( 2.562 1.037 1.997) 3.409 11.342 ( 0.448 1.453 -4.119) 4.391 11.668 ( 0.807 -5.265 12.568) 13.650 11.797 ( -3.795 -2.087 0.106) 4.332 11.820 ( 0.696 -5.155 -6.022) 7.958 12.052 ( -7.312 -3.457 -11.358) 13.943 12.710 ( 11.416 -2.435 12.381) 17.016 13.209 ( -7.136 12.065 -11.343) 18.032 14.539 ( -2.007 1.071 10.100) 10.353 14.702 ( 3.574 -2.023 -8.010) 9.002 15.764 ( -3.725 -2.126 6.464) 7.757 15.803 ( -0.136 -2.734 0.476) 2.778 15.950 ( -1.146 0.365 4.596) 4.750 16.132 ( 0.394 1.165 -7.928) 8.023 16.310 ( 1.884 -4.966 2.868) 6.036 16.585 ( -9.686 -2.304 -11.944) 15.549 16.987 ( -0.227 -2.595 3.896) 4.687 17.122 ( -2.484 -1.685 -5.699) 6.441 17.726 ( 3.084 -0.433 9.879) 10.359 17.865 ( -1.160 3.559 7.093) 8.020 18.166 ( 1.707 -0.041 -2.040) 2.661 18.334 ( 1.246 1.396 -9.807) 9.984 ======================= Grid point 107 (43/65) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 11.633 -17.598 -17.457) 27.382 2.430 ( -21.057 1.276 17.457) 27.382 2.581 ( 12.612 -18.412 -13.277) 25.969 2.581 ( -22.252 1.716 13.277) 25.969 3.560 ( -4.128 -0.495 -6.975) 8.121 3.560 ( 1.636 -3.823 6.975) 8.121 3.725 ( 0.411 -2.486 -6.808) 7.260 3.725 ( -2.358 -0.887 6.808) 7.260 4.034 ( 2.696 1.793 -6.856) 7.582 4.034 ( 0.205 3.231 6.856) 7.582 4.217 ( -0.051 0.083 -6.142) 6.143 4.217 ( 0.097 -0.002 6.142) 6.143 4.431 ( 14.032 -11.688 -5.748) 19.145 4.431 ( -17.138 6.308 5.748) 19.145 4.519 ( -2.025 -0.008 -1.601) 2.581 4.519 ( 1.005 -1.757 1.601) 2.581 5.080 ( -1.885 -1.783 -9.867) 10.202 5.080 ( -0.602 -2.524 9.867) 10.202 5.218 ( -0.869 4.458 -31.423) 31.749 5.218 ( 4.295 1.477 31.423) 31.749 5.831 ( 3.322 -0.244 -6.236) 7.070 5.831 ( -1.873 2.755 6.236) 7.070 5.939 ( -0.686 6.474 -10.424) 12.290 5.939 ( 5.950 2.643 10.424) 12.290 6.026 ( -1.038 5.258 -8.507) 10.055 6.026 ( 5.073 1.730 8.507) 10.055 6.642 ( 7.405 2.077 -13.666) 15.681 6.642 ( -1.903 7.451 13.666) 15.681 7.003 ( 1.447 -6.726 -11.933) 13.774 7.003 ( -6.548 -2.110 11.933) 13.774 8.195 ( -10.846 1.320 -2.907) 11.306 8.195 ( 6.567 -8.733 2.907) 11.306 8.846 ( 0.835 2.411 -21.594) 21.744 8.846 ( 1.671 1.929 21.594) 21.744 9.056 ( 1.986 0.627 -13.418) 13.579 9.056 ( -0.450 2.033 13.418) 13.579 9.620 ( 7.474 10.356 -25.763) 28.755 9.620 ( 5.231 11.651 25.763) 28.755 10.205 ( -2.358 1.323 -2.786) 3.883 10.205 ( 2.325 -1.381 2.786) 3.883 10.754 ( -3.636 -5.480 -7.577) 10.033 10.754 ( -2.928 -5.889 7.577) 10.033 10.914 ( 1.811 4.544 -4.001) 6.319 10.914 ( 3.029 3.841 4.001) 6.319 11.290 ( -1.503 0.461 -3.959) 4.260 11.290 ( 1.151 -1.071 3.959) 4.260 11.743 ( 0.856 -2.977 -4.824) 5.733 11.743 ( -3.007 -0.747 4.824) 5.733 11.794 ( -5.681 -3.490 -12.851) 14.478 11.794 ( -0.182 -6.665 12.851) 14.478 13.031 ( -12.325 12.558 -13.997) 22.484 13.031 ( 17.038 -4.395 13.997) 22.484 14.629 ( 3.535 -2.229 -10.063) 10.897 14.629 ( -3.698 1.947 10.063) 10.897 15.768 ( 0.134 -2.682 -3.558) 4.458 15.768 ( -2.390 -1.225 3.558) 4.458 16.037 ( 0.178 1.272 -9.157) 9.247 16.037 ( 1.013 0.790 9.157) 9.247 16.346 ( -7.902 -1.283 -6.493) 10.307 16.346 ( 2.840 -7.485 6.493) 10.307 17.021 ( 0.799 -2.042 -5.568) 5.985 17.021 ( -2.168 -0.329 5.568) 5.985 17.874 ( 0.513 2.790 -7.916) 8.408 17.874 ( 2.159 1.839 7.916) 8.408 18.226 ( 2.521 -2.048 -11.660) 12.104 18.226 ( -3.034 1.159 11.660) 12.104 ======================= Grid point 114 (44/65) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.560 ( 0.000 -17.045 -13.902) 21.995 2.628 ( 0.000 -19.769 -14.236) 24.361 3.073 ( 0.000 -0.475 15.313) 15.320 3.201 ( 0.000 -2.033 2.749) 3.419 3.267 ( 0.000 -1.838 2.442) 3.056 3.296 ( 0.000 -1.571 6.769) 6.949 3.659 ( 0.000 -1.646 6.799) 6.996 3.871 ( -0.000 0.239 -4.652) 4.658 4.055 ( 0.000 -4.490 0.268) 4.498 4.097 ( 0.000 -3.671 -2.875) 4.663 4.176 ( -0.000 3.183 6.869) 7.571 4.249 ( 0.000 -1.884 -4.410) 4.796 4.322 ( 0.000 -12.656 -13.335) 18.385 4.358 ( -0.000 3.646 16.784) 17.175 4.635 ( -0.000 1.467 -3.994) 4.255 4.641 ( -0.000 2.741 10.988) 11.324 5.123 ( 0.000 0.407 4.554) 4.572 5.130 ( -0.000 3.998 -0.569) 4.038 5.372 ( 0.000 -1.827 -1.021) 2.092 5.398 ( -0.000 0.023 -4.810) 4.810 5.525 ( 0.000 -0.486 8.025) 8.040 5.627 ( -0.000 8.366 -33.276) 34.311 5.714 ( -0.000 8.222 6.443) 10.446 5.782 ( -0.000 3.254 5.305) 6.223 5.983 ( -0.000 2.823 -5.721) 6.379 6.114 ( -0.000 2.899 -10.588) 10.977 6.493 ( -0.000 4.871 11.386) 12.385 6.664 ( -0.000 -0.091 -17.322) 17.322 7.009 ( -0.000 1.711 7.533) 7.725 7.155 ( 0.000 -4.702 -15.854) 16.536 8.118 ( 0.000 -9.040 2.078) 9.276 8.522 ( 0.000 3.316 26.491) 26.698 8.542 ( 0.000 -1.049 -4.094) 4.226 8.877 ( -0.000 3.843 7.109) 8.081 8.895 ( 0.000 2.071 22.326) 22.421 9.073 ( -0.000 9.056 -1.205) 9.135 9.237 ( -0.000 6.945 3.048) 7.585 9.462 ( -0.000 11.187 -15.384) 19.021 10.225 ( -0.000 0.339 -5.304) 5.315 10.367 ( 0.000 0.814 8.034) 8.075 10.465 ( 0.000 -7.306 0.259) 7.311 10.756 ( 0.000 -3.160 -1.965) 3.720 10.980 ( -0.000 5.353 6.676) 8.557 11.130 ( 0.000 -1.342 0.377) 1.394 11.195 ( -0.000 2.049 -5.763) 6.116 11.279 ( -0.000 1.920 -1.893) 2.696 11.655 ( 0.000 -5.628 12.963) 14.132 11.804 ( 0.000 -4.472 -5.300) 6.934 11.859 ( 0.000 -3.396 -2.347) 4.128 12.190 ( 0.000 -2.566 -10.883) 11.181 12.531 ( 0.000 -4.195 9.530) 10.413 13.301 ( -0.000 13.983 -10.418) 17.438 14.566 ( 0.000 1.288 10.818) 10.894 14.651 ( 0.000 -2.354 -6.954) 7.342 15.804 ( 0.000 -1.941 -0.001) 1.941 15.822 ( 0.000 -3.067 8.129) 8.688 15.979 ( -0.000 0.200 -3.806) 3.811 16.098 ( 0.000 -1.058 -2.038) 2.296 16.296 ( 0.000 -3.285 2.205) 3.956 16.764 ( -0.000 0.711 -15.131) 15.147 16.950 ( 0.000 -7.043 1.306) 7.163 17.195 ( -0.000 1.382 0.468) 1.459 17.646 ( 0.000 -2.328 5.034) 5.546 17.892 ( 0.000 0.972 13.007) 13.043 18.102 ( -0.000 1.279 -10.707) 10.783 18.342 ( -0.000 2.250 -4.261) 4.819 ======================= Grid point 115 (45/65) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 2.644 -20.331 -18.592) 27.677 2.335 ( 5.636 -22.213 -15.556) 27.698 2.985 ( -20.295 1.107 9.948) 22.630 3.094 ( -14.870 -0.192 5.218) 15.760 3.449 ( 10.042 0.946 5.354) 11.419 3.481 ( 6.075 -3.310 2.344) 7.305 3.692 ( 0.213 -2.927 2.302) 3.730 3.800 ( -0.814 -0.194 -5.594) 5.656 3.866 ( 5.269 -15.269 -19.857) 25.597 4.019 ( 3.474 -5.144 -2.217) 6.591 4.133 ( 4.223 -2.907 -6.339) 8.153 4.243 ( -2.443 -0.582 3.035) 3.939 4.289 ( -1.873 1.329 7.357) 7.707 4.486 ( 0.676 3.403 0.559) 3.515 4.620 ( -3.733 2.006 1.222) 4.410 4.846 ( -7.989 1.573 14.680) 16.787 5.114 ( -4.626 -0.016 10.296) 11.287 5.123 ( -1.364 3.397 -4.615) 5.890 5.197 ( -1.193 4.164 -25.615) 25.979 5.277 ( -5.804 3.692 -1.769) 7.103 5.546 ( 14.804 -1.617 -2.072) 15.035 5.681 ( 8.504 0.357 8.087) 11.740 5.878 ( -0.693 5.235 7.619) 9.270 5.931 ( 3.021 4.181 12.623) 13.637 6.002 ( -0.961 1.793 -9.336) 9.555 6.038 ( -0.484 4.955 3.872) 6.307 6.507 ( 2.416 1.696 -12.709) 13.047 6.691 ( -1.177 6.621 15.546) 16.938 6.963 ( 1.104 -6.301 -11.658) 13.298 7.118 ( -2.221 0.313 12.617) 12.815 8.073 ( 2.393 -10.310 0.629) 10.603 8.424 ( -5.112 -0.281 -7.652) 9.207 8.807 ( 0.519 3.240 -9.461) 10.014 8.846 ( 0.302 3.680 16.617) 17.022 9.084 ( -3.708 4.676 -10.806) 12.344 9.096 ( -1.714 4.715 10.815) 11.922 9.401 ( 7.197 10.369 -16.871) 21.070 9.485 ( 4.089 12.702 18.476) 22.790 10.186 ( -0.487 -0.289 -0.214) 0.605 10.317 ( -6.332 -1.632 -2.213) 6.903 10.576 ( 9.898 -1.473 7.149) 12.299 10.722 ( 3.106 -4.012 -2.973) 5.881 11.005 ( -7.730 1.793 1.086) 8.009 11.082 ( -7.018 1.184 -2.296) 7.479 11.190 ( 5.409 -0.662 1.473) 5.645 11.291 ( 2.075 1.256 -2.392) 3.406 11.703 ( 1.108 -4.307 -5.458) 7.040 11.766 ( 0.331 -3.743 10.965) 11.591 11.831 ( -1.947 -2.942 2.828) 4.522 11.996 ( -6.254 -3.343 -9.894) 12.173 12.682 ( 8.722 -6.633 13.382) 17.296 13.259 ( -4.639 17.506 -13.638) 22.671 14.557 ( 1.617 -2.871 -8.044) 8.693 14.697 ( -1.392 2.264 11.201) 11.512 15.765 ( -0.006 -2.097 -4.315) 4.798 15.857 ( -3.638 -2.552 4.020) 5.992 15.963 ( 2.559 -0.146 -0.966) 2.739 16.050 ( 0.802 1.027 -4.979) 5.146 16.320 ( -0.275 -5.830 7.659) 9.630 16.565 ( -7.047 0.538 -10.392) 12.568 16.940 ( 2.782 -4.632 0.095) 5.404 17.168 ( -5.740 1.248 0.121) 5.875 17.713 ( 6.715 -1.256 0.566) 6.855 17.938 ( -3.242 1.417 -5.613) 6.635 18.069 ( 5.684 -2.122 0.930) 6.138 18.331 ( -2.191 1.951 3.503) 4.569 ======================= Grid point 123 (46/65) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.847 ( 0.000 -22.768 -20.160) 30.410 1.925 ( 0.000 -25.539 -17.502) 30.960 3.043 ( 0.000 -22.380 -22.503) 31.737 3.245 ( -0.000 4.545 0.197) 4.550 3.356 ( 0.000 -0.580 1.721) 1.816 3.449 ( 0.000 -7.983 -4.215) 9.027 3.613 ( -0.000 1.859 8.816) 9.010 3.703 ( 0.000 -2.905 2.040) 3.550 3.755 ( -0.000 1.441 -0.644) 1.578 3.952 ( 0.000 -4.240 2.348) 4.846 4.007 ( -0.000 0.284 -10.394) 10.398 4.275 ( 0.000 -3.199 3.554) 4.782 4.408 ( -0.000 2.957 6.059) 6.742 4.502 ( -0.000 3.261 -1.043) 3.423 4.684 ( -0.000 1.230 0.443) 1.308 4.826 ( -0.000 5.481 -29.710) 30.211 5.028 ( -0.000 4.020 -3.072) 5.059 5.147 ( -0.000 0.862 4.011) 4.103 5.240 ( -0.000 1.793 2.739) 3.274 5.343 ( -0.000 1.128 -3.091) 3.290 5.573 ( 0.000 0.196 20.090) 20.091 5.677 ( 0.000 -2.689 5.358) 5.995 5.921 ( -0.000 0.640 -3.190) 3.253 5.994 ( 0.000 0.052 9.368) 9.368 6.148 ( -0.000 6.575 20.389) 21.423 6.156 ( -0.000 3.590 7.770) 8.559 6.424 ( -0.000 2.847 -1.991) 3.474 6.793 ( 0.000 -6.900 -8.013) 10.575 6.952 ( -0.000 6.981 19.495) 20.708 7.313 ( 0.000 0.146 18.611) 18.612 7.973 ( 0.000 -11.116 -0.856) 11.149 8.346 ( -0.000 0.776 -11.010) 11.038 8.628 ( -0.000 5.448 -20.275) 20.994 8.980 ( -0.000 3.772 -20.607) 20.949 9.016 ( -0.000 3.970 -15.339) 15.844 9.183 ( -0.000 8.848 12.584) 15.383 9.310 ( -0.000 6.860 -0.696) 6.896 9.738 ( -0.000 7.241 13.151) 15.012 10.208 ( -0.000 1.797 1.686) 2.464 10.316 ( 0.000 -0.572 -1.259) 1.383 10.609 ( -0.000 3.121 8.519) 9.072 10.628 ( 0.000 -3.014 -4.815) 5.680 11.098 ( 0.000 -4.088 0.758) 4.158 11.105 ( -0.000 2.286 -2.332) 3.266 11.135 ( 0.000 -2.054 1.641) 2.629 11.262 ( -0.000 0.760 -0.689) 1.026 11.611 ( 0.000 -2.791 -4.622) 5.399 11.788 ( 0.000 -2.254 -6.262) 6.655 11.878 ( 0.000 -0.848 6.018) 6.077 11.972 ( 0.000 -2.642 5.427) 6.036 12.719 ( 0.000 -10.801 14.936) 18.432 13.258 ( -0.000 22.313 -19.587) 29.690 14.436 ( 0.000 -3.021 -7.405) 7.997 14.853 ( -0.000 3.227 10.601) 11.082 15.677 ( -0.000 -1.153 -8.618) 8.695 15.862 ( 0.000 -4.042 -5.219) 6.601 15.894 ( -0.000 2.165 -6.161) 6.530 16.066 ( 0.000 1.110 7.437) 7.519 16.380 ( 0.000 -5.583 9.209) 10.769 16.520 ( -0.000 1.916 -7.055) 7.311 16.899 ( 0.000 -4.029 0.916) 4.132 17.223 ( -0.000 1.410 -0.277) 1.437 17.601 ( 0.000 -3.772 -6.159) 7.222 17.813 ( -0.000 0.463 -15.249) 15.256 18.091 ( 0.000 -2.377 6.961) 7.356 18.439 ( 0.000 0.739 10.595) 10.621 ======================= Grid point 152 (47/65) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 0.000 -0.000 31.271) 31.271 2.320 ( 0.000 -0.000 31.271) 31.271 3.320 ( -0.000 0.000 -0.679) 0.679 3.360 ( 0.000 0.000 -5.096) 5.096 3.360 ( -0.000 -0.000 -5.096) 5.096 3.604 ( 0.000 -0.000 5.448) 5.448 3.604 ( -0.000 -0.000 5.448) 5.448 3.794 ( -0.000 0.000 -28.612) 28.612 3.811 ( 0.000 -0.000 30.534) 30.534 3.886 ( 0.000 0.000 -3.170) 3.170 3.886 ( -0.000 0.000 -3.170) 3.170 3.931 ( -0.000 0.000 -1.741) 1.741 4.456 ( 0.000 -0.000 0.827) 0.827 4.507 ( 0.000 -0.000 15.024) 15.024 4.638 ( 0.000 0.000 -1.078) 1.078 4.638 ( -0.000 -0.000 -1.078) 1.078 5.058 ( 0.000 0.000 -10.116) 10.116 5.058 ( -0.000 0.000 -10.116) 10.116 5.444 ( -0.000 0.000 -6.944) 6.944 5.449 ( 0.000 0.000 -1.481) 1.481 5.449 ( -0.000 0.000 -1.481) 1.481 5.554 ( 0.000 0.000 -1.950) 1.950 5.554 ( -0.000 -0.000 -1.950) 1.950 6.105 ( -0.000 0.000 -9.421) 9.421 6.194 ( -0.000 0.000 -1.244) 1.244 6.476 ( 0.000 -0.000 42.888) 42.888 6.686 ( 0.000 0.000 -5.188) 5.188 6.686 ( -0.000 0.000 -5.188) 5.188 6.862 ( 0.000 -0.000 12.937) 12.937 6.862 ( 0.000 -0.000 12.937) 12.937 8.118 ( 0.000 -0.000 10.466) 10.466 8.557 ( -0.000 0.000 -25.040) 25.040 8.557 ( -0.000 0.000 -25.040) 25.040 8.613 ( -0.000 0.000 -34.212) 34.212 8.715 ( 0.000 -0.000 7.895) 7.895 9.325 ( -0.000 0.000 -9.906) 9.906 9.736 ( 0.000 0.000 4.022) 4.022 9.736 ( -0.000 -0.000 4.022) 4.022 10.011 ( 0.000 0.000 -10.307) 10.307 10.011 ( -0.000 0.000 -10.307) 10.307 10.805 ( 0.000 -0.000 2.045) 2.045 10.805 ( 0.000 -0.000 2.045) 2.045 10.970 ( 0.000 0.000 1.029) 1.029 10.970 ( -0.000 -0.000 1.029) 1.029 11.229 ( 0.000 -0.000 4.077) 4.077 11.229 ( -0.000 -0.000 4.077) 4.077 11.521 ( 0.000 0.000 -7.272) 7.272 11.521 ( -0.000 0.000 -7.272) 7.272 12.182 ( 0.000 -0.000 9.161) 9.161 12.184 ( 0.000 -0.000 11.826) 11.826 12.184 ( 0.000 -0.000 11.826) 11.826 13.821 ( -0.000 0.000 -12.675) 12.675 14.467 ( -0.000 0.000 -11.741) 11.741 14.587 ( 0.000 -0.000 7.019) 7.019 15.775 ( -0.000 0.000 -2.373) 2.373 15.775 ( -0.000 0.000 -2.373) 2.373 15.910 ( 0.000 -0.000 0.450) 0.450 16.197 ( 0.000 0.000 2.197) 2.197 16.197 ( -0.000 -0.000 2.197) 2.197 16.933 ( 0.000 -0.000 5.696) 5.696 16.933 ( -0.000 -0.000 5.696) 5.696 17.593 ( -0.000 0.000 -10.684) 10.684 17.817 ( -0.000 0.000 -6.701) 6.701 17.820 ( 0.000 0.000 6.739) 6.739 17.820 ( -0.000 -0.000 6.739) 6.739 18.223 ( 0.000 -0.000 6.119) 6.119 ======================= Grid point 153 (48/65) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.659 ( 0.024 0.014 26.746) 26.746 2.691 ( 2.063 1.191 28.603) 28.702 3.073 ( -18.457 -10.656 -7.166) 22.485 3.175 ( -15.131 -8.736 -0.262) 17.473 3.371 ( 2.468 1.425 -2.617) 3.869 3.628 ( 0.034 0.019 4.735) 4.735 3.646 ( 1.894 1.094 -4.009) 4.567 3.657 ( 7.383 4.263 -9.158) 12.512 3.825 ( 1.945 1.123 -0.898) 2.419 3.886 ( -0.760 -0.439 -3.952) 4.048 3.994 ( 7.311 4.221 -0.597) 8.464 4.216 ( 8.351 4.821 23.301) 25.217 4.410 ( -9.745 -5.626 6.824) 13.160 4.544 ( -5.806 -3.352 2.575) 7.182 4.685 ( 0.168 0.097 6.498) 6.501 4.690 ( 5.150 2.974 -2.173) 6.332 4.889 ( -1.081 -0.624 -7.465) 7.569 5.033 ( 6.965 4.021 -11.936) 14.392 5.257 ( -15.418 -8.902 -1.327) 17.853 5.408 ( -2.355 -1.360 -1.308) 3.018 5.411 ( 1.561 0.902 -5.820) 6.093 5.506 ( 1.847 1.066 -6.898) 7.220 5.648 ( 8.717 5.033 -1.366) 10.158 6.006 ( 2.911 1.680 -10.854) 11.362 6.217 ( 4.325 2.497 -0.551) 5.024 6.563 ( -0.257 -0.148 -7.284) 7.290 6.686 ( 2.525 1.458 -3.871) 4.846 6.933 ( -2.317 -1.338 37.417) 37.513 7.042 ( 1.974 1.140 17.423) 17.571 7.114 ( 4.571 2.639 19.167) 19.881 8.120 ( 0.635 0.367 -21.780) 21.793 8.168 ( -5.398 -3.117 -23.830) 24.631 8.284 ( -3.222 -1.860 -5.363) 6.527 8.387 ( 5.616 3.242 -22.799) 23.704 8.772 ( -4.013 -2.317 7.253) 8.607 9.149 ( -4.855 -2.803 -11.299) 12.614 9.652 ( -2.723 -1.572 -3.304) 4.561 9.762 ( 2.882 1.664 -15.844) 16.190 9.941 ( 3.281 1.894 5.276) 6.495 10.039 ( 6.116 3.531 -3.234) 7.768 10.809 ( -2.301 -1.328 1.625) 3.114 10.809 ( -1.424 -0.822 -0.494) 1.717 10.930 ( -2.604 -1.503 1.031) 3.178 11.035 ( 3.546 2.047 1.757) 4.455 11.239 ( -0.688 -0.397 0.386) 0.883 11.275 ( 0.627 0.362 -1.475) 1.644 11.433 ( -2.260 -1.305 2.667) 3.732 11.542 ( 3.314 1.913 0.357) 3.843 12.251 ( -3.758 -2.170 7.516) 8.678 12.257 ( -2.342 -1.352 11.946) 12.248 12.365 ( 3.802 2.195 4.821) 6.520 13.647 ( -2.173 -1.255 -13.411) 13.644 14.359 ( -0.056 -0.032 -6.647) 6.647 14.678 ( 2.183 1.261 5.493) 6.044 15.735 ( -2.356 -1.360 -0.258) 2.733 15.754 ( -0.283 -0.164 -0.389) 0.508 15.938 ( -0.331 -0.191 2.010) 2.046 16.171 ( -1.225 -0.707 2.170) 2.591 16.277 ( 3.278 1.892 1.039) 3.925 16.914 ( -6.202 -3.581 6.665) 9.783 17.092 ( 4.434 2.560 9.044) 10.393 17.468 ( 0.056 0.032 -10.524) 10.525 17.585 ( -14.666 -8.468 2.123) 17.068 17.803 ( -0.206 -0.119 -5.888) 5.893 18.081 ( 10.258 5.923 4.306) 12.604 18.277 ( 1.323 0.764 1.887) 2.428 ======================= Grid point 154 (49/65) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -22.236 -12.838 1.793) 25.738 2.779 ( -20.229 -11.679 4.550) 23.797 2.971 ( -4.635 -2.676 16.789) 17.622 3.101 ( 3.641 2.102 24.688) 25.043 3.405 ( 1.941 1.120 2.767) 3.560 3.567 ( -4.120 -2.379 -3.356) 5.822 3.675 ( 4.059 2.344 -2.822) 5.471 3.747 ( -0.939 -0.542 -7.480) 7.558 3.793 ( 7.538 4.352 -2.761) 9.131 3.941 ( 7.622 4.401 5.164) 10.204 4.085 ( 0.898 0.518 -0.732) 1.269 4.319 ( -9.121 -5.266 8.543) 13.561 4.434 ( -6.257 -3.613 -2.631) 7.689 4.601 ( 8.388 4.843 16.175) 18.853 4.671 ( -3.109 -1.795 -2.787) 4.546 4.700 ( 0.548 0.317 -7.565) 7.591 4.842 ( -15.614 -9.015 -1.946) 18.134 4.933 ( -1.091 -0.630 1.055) 1.644 5.070 ( 6.689 3.862 -2.981) 8.279 5.358 ( -2.443 -1.411 0.537) 2.872 5.387 ( 2.455 1.418 -5.411) 6.109 5.504 ( 5.863 3.385 -3.636) 7.685 5.781 ( 7.981 4.608 -2.361) 9.514 5.967 ( 6.269 3.620 -10.159) 12.475 6.265 ( 0.635 0.367 -2.374) 2.484 6.560 ( 9.939 5.738 -6.838) 13.359 6.687 ( 0.340 0.196 -0.558) 0.682 7.126 ( -2.868 -1.656 -0.536) 3.354 7.264 ( 5.410 3.123 5.026) 8.017 7.449 ( 7.322 4.227 18.812) 20.625 7.900 ( 0.018 0.011 -3.984) 3.984 7.901 ( -1.646 -0.950 -6.650) 6.916 8.136 ( 3.013 1.739 -22.426) 22.694 8.347 ( -3.369 -1.945 9.663) 10.417 8.701 ( -12.207 -7.048 3.202) 14.455 8.984 ( -2.259 -1.304 -3.276) 4.187 9.601 ( 2.755 1.591 -5.034) 5.955 9.629 ( 4.050 2.338 -17.286) 17.908 10.077 ( 4.990 2.881 3.829) 6.919 10.132 ( 4.360 2.517 2.771) 5.747 10.728 ( -3.782 -2.183 -4.212) 6.067 10.777 ( -3.634 -2.098 2.061) 4.675 10.910 ( -0.419 -0.242 0.403) 0.630 11.130 ( 4.733 2.733 0.832) 5.528 11.222 ( -0.339 -0.196 -1.546) 1.595 11.240 ( -0.004 -0.003 -3.208) 3.208 11.493 ( -1.216 -0.702 10.593) 10.686 11.611 ( 1.911 1.103 2.707) 3.492 12.218 ( -6.111 -3.528 2.031) 7.343 12.361 ( -0.711 -0.411 10.750) 10.781 12.407 ( 0.085 0.049 -3.293) 3.294 13.457 ( -2.366 -1.366 -12.914) 13.200 14.320 ( -0.042 -0.024 -0.146) 0.153 14.780 ( 3.986 2.302 2.595) 5.284 15.696 ( -3.627 -2.094 2.497) 4.876 15.756 ( -0.744 -0.430 2.250) 2.408 15.909 ( -4.728 -2.730 1.530) 5.670 16.226 ( 3.324 1.919 3.405) 5.131 16.320 ( 2.438 1.408 -2.723) 3.917 16.869 ( -7.446 -4.299 5.763) 10.351 17.278 ( 3.265 1.885 11.245) 11.860 17.306 ( -5.908 -3.411 -10.969) 12.917 17.430 ( -6.542 -3.777 5.650) 9.433 17.686 ( -3.581 -2.067 -7.748) 8.782 18.226 ( 2.594 1.497 0.287) 3.009 18.351 ( 7.941 4.585 -1.729) 9.331 ======================= Grid point 155 (50/65) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.314 ( -23.374 -13.495 14.240) 30.516 2.397 ( -26.240 -15.150 5.844) 30.858 3.101 ( -1.036 -0.598 10.352) 10.421 3.401 ( 0.478 0.276 13.362) 13.374 3.458 ( -0.842 -0.486 -3.353) 3.491 3.506 ( 1.875 1.083 8.262) 8.541 3.561 ( -8.849 -5.109 -1.676) 10.354 3.713 ( 6.702 3.869 -7.113) 10.511 3.894 ( -8.436 -4.870 -1.931) 9.930 4.055 ( 2.070 1.195 11.964) 12.201 4.144 ( 4.338 2.505 6.644) 8.321 4.280 ( -14.208 -8.203 1.849) 16.510 4.281 ( -2.583 -1.491 -5.835) 6.553 4.372 ( -7.386 -4.264 -3.432) 9.193 4.571 ( -1.760 -1.016 -5.464) 5.830 4.743 ( 4.638 2.678 -6.892) 8.728 4.835 ( 2.785 1.608 5.959) 6.771 5.062 ( 3.907 2.255 7.435) 8.696 5.157 ( 4.478 2.585 -0.474) 5.192 5.358 ( 1.027 0.593 -4.825) 4.969 5.383 ( 0.773 0.446 8.869) 8.913 5.637 ( 11.269 6.506 0.188) 13.014 5.841 ( 3.625 2.093 -4.904) 6.448 5.976 ( 7.349 4.243 -10.576) 13.559 6.212 ( -1.469 -0.848 -2.658) 3.153 6.655 ( 11.322 6.537 -14.564) 19.571 6.656 ( -1.556 -0.898 -7.658) 7.866 6.899 ( 0.475 0.274 -23.518) 23.525 7.245 ( 4.431 2.558 -19.380) 20.044 7.674 ( 8.398 4.849 -11.828) 15.295 7.979 ( -0.781 -0.451 9.888) 9.929 8.057 ( 5.782 3.338 22.456) 23.427 8.082 ( -0.078 -0.045 19.003) 19.003 8.444 ( -1.534 -0.886 15.896) 15.994 8.473 ( -13.905 -8.028 0.420) 16.062 9.000 ( 0.264 0.152 8.158) 8.164 9.498 ( 3.800 2.194 -18.252) 18.772 9.634 ( 7.479 4.318 -5.376) 10.173 10.173 ( 2.605 1.504 0.596) 3.066 10.230 ( 0.988 0.570 5.634) 5.748 10.639 ( -0.749 -0.432 -2.421) 2.571 10.731 ( -4.733 -2.733 2.459) 5.993 10.935 ( 2.963 1.711 0.425) 3.448 11.193 ( 2.807 1.621 -2.441) 4.058 11.196 ( -0.149 -0.086 -2.141) 2.148 11.215 ( 0.100 0.058 -0.738) 0.747 11.605 ( -1.591 -0.919 12.736) 12.868 11.653 ( -0.659 -0.381 2.263) 2.388 12.104 ( -6.152 -3.552 -2.421) 7.505 12.298 ( -3.617 -2.089 -8.608) 9.568 12.501 ( 3.039 1.754 11.125) 11.665 13.263 ( -3.362 -1.941 -13.137) 13.699 14.344 ( -0.592 -0.342 4.701) 4.750 14.863 ( 4.608 2.661 -1.703) 5.587 15.662 ( -5.184 -2.993 4.890) 7.729 15.780 ( -1.330 -0.768 5.024) 5.254 15.846 ( -4.239 -2.447 2.411) 5.456 16.289 ( 0.624 0.360 -7.615) 7.649 16.333 ( 3.646 2.105 3.782) 5.659 16.774 ( -7.668 -4.427 -0.408) 8.864 17.089 ( -7.128 -4.115 -4.873) 9.565 17.400 ( -3.158 -1.824 -1.667) 4.010 17.446 ( 0.751 0.433 11.604) 11.636 17.564 ( -3.553 -2.051 2.741) 4.934 18.229 ( 0.378 0.218 -2.770) 2.804 18.458 ( 8.435 4.870 -6.006) 11.443 ======================= Grid point 156 (51/65) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -24.716 -14.270 12.335) 31.091 2.114 ( -22.848 -13.192 18.882) 32.444 3.180 ( 0.816 0.471 4.658) 4.752 3.241 ( -17.648 -10.189 3.335) 20.650 3.396 ( -4.683 -2.703 1.095) 5.517 3.576 ( -9.698 -5.599 4.585) 12.101 3.619 ( 0.599 0.346 5.691) 5.732 3.714 ( -2.022 -1.167 4.841) 5.374 3.734 ( 6.386 3.687 -9.076) 11.694 4.000 ( -8.937 -5.160 -0.379) 10.327 4.070 ( -5.779 -3.337 -3.681) 7.621 4.299 ( 0.954 0.551 8.607) 8.677 4.370 ( 5.622 3.246 2.231) 6.865 4.414 ( 4.396 2.538 13.934) 14.830 4.495 ( 0.867 0.501 -6.253) 6.333 4.734 ( 2.751 1.588 -6.064) 6.846 4.908 ( 1.085 0.626 5.973) 6.103 5.184 ( 0.907 0.524 -2.676) 2.874 5.198 ( 2.938 1.696 4.870) 5.935 5.322 ( 0.168 0.097 -2.403) 2.411 5.560 ( 3.949 2.280 10.194) 11.168 5.802 ( -0.516 -0.298 -7.088) 7.113 5.866 ( 13.370 7.719 0.085) 15.439 5.945 ( 4.941 2.853 -13.774) 14.909 6.190 ( 0.297 0.171 0.488) 0.596 6.384 ( 2.496 1.441 -32.376) 32.504 6.555 ( 2.238 1.292 -22.485) 22.633 6.798 ( -2.789 -1.610 3.487) 4.747 7.086 ( 5.308 3.064 -21.503) 22.360 7.526 ( 3.186 1.840 -23.377) 23.665 8.171 ( -12.094 -6.982 0.177) 13.966 8.180 ( 0.485 0.280 17.930) 17.939 8.327 ( 2.310 1.334 19.860) 20.038 8.572 ( 8.709 5.028 28.759) 30.466 8.676 ( 1.663 0.960 23.455) 23.533 9.156 ( 4.191 2.419 10.145) 11.240 9.338 ( 3.156 1.822 -20.370) 20.694 9.713 ( 9.366 5.408 -7.905) 13.396 10.193 ( 1.160 0.669 -0.903) 1.615 10.291 ( -0.687 -0.397 4.704) 4.771 10.637 ( 2.668 1.541 -3.633) 4.764 10.669 ( -5.758 -3.324 2.951) 7.274 11.017 ( 4.475 2.584 1.893) 5.503 11.164 ( -1.895 -1.094 -1.915) 2.908 11.169 ( -0.129 -0.074 -2.153) 2.158 11.234 ( 1.809 1.045 -0.320) 2.113 11.638 ( -3.697 -2.134 2.248) 4.825 11.715 ( -2.650 -1.530 12.516) 12.885 11.975 ( -3.285 -1.897 -5.102) 6.358 12.119 ( -3.647 -2.106 -10.049) 10.896 12.768 ( 9.984 5.764 18.038) 21.408 13.026 ( -6.146 -3.548 -14.558) 16.196 14.392 ( -1.683 -0.972 6.851) 7.121 14.892 ( 4.024 2.323 -6.496) 7.987 15.638 ( -4.958 -2.863 7.306) 9.282 15.825 ( -1.930 -1.114 7.611) 7.930 15.833 ( -1.677 -0.968 4.523) 4.920 16.179 ( -0.529 -0.305 -10.776) 10.794 16.430 ( 2.368 1.367 4.086) 4.917 16.589 ( -6.923 -3.997 -8.390) 11.589 16.968 ( -4.793 -2.767 0.580) 5.565 17.277 ( -3.126 -1.805 -5.736) 6.777 17.558 ( -1.898 -1.096 9.614) 9.860 17.644 ( -0.521 -0.301 13.682) 13.695 18.183 ( -0.775 -0.448 -4.818) 4.901 18.495 ( 6.090 3.516 -9.814) 12.073 ======================= Grid point 161 (52/65) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 0.000 -8.774 17.290) 19.389 2.994 ( 0.000 -0.648 25.318) 25.327 3.117 ( 0.000 -9.638 5.771) 11.234 3.251 ( 0.000 -2.161 0.293) 2.181 3.305 ( 0.000 -1.613 1.831) 2.441 3.541 ( -0.000 7.978 -1.528) 8.123 3.637 ( 0.000 -8.254 6.498) 10.505 3.655 ( 0.000 -4.884 -2.808) 5.634 3.810 ( -0.000 2.751 -2.876) 3.980 3.854 ( -0.000 0.344 -7.106) 7.115 3.935 ( -0.000 2.858 4.092) 4.992 4.465 ( -0.000 7.323 19.443) 20.777 4.514 ( 0.000 -5.227 2.493) 5.791 4.557 ( 0.000 -3.740 -5.962) 7.038 4.622 ( 0.000 -0.266 0.475) 0.545 4.711 ( 0.000 -2.046 -3.508) 4.061 4.869 ( -0.000 6.754 -10.010) 12.076 4.908 ( -0.000 5.741 4.933) 7.569 5.331 ( -0.000 0.681 -2.039) 2.150 5.384 ( 0.000 -1.618 0.266) 1.640 5.409 ( 0.000 -0.770 -0.920) 1.199 5.448 ( -0.000 -0.075 -4.482) 4.482 5.546 ( -0.000 2.924 -3.801) 4.796 5.871 ( -0.000 2.531 -11.303) 11.583 6.176 ( -0.000 5.538 -4.675) 7.247 6.443 ( 0.000 -8.225 -4.673) 9.460 6.688 ( -0.000 8.728 -2.697) 9.135 7.152 ( 0.000 -4.001 0.736) 4.068 7.217 ( 0.000 -0.842 5.219) 5.287 7.340 ( -0.000 9.370 14.565) 17.319 7.900 ( 0.000 -0.111 -0.334) 0.352 7.949 ( 0.000 -3.521 -12.815) 13.290 8.071 ( -0.000 3.247 -19.577) 19.844 8.401 ( 0.000 -4.826 10.959) 11.975 8.867 ( 0.000 -3.546 7.650) 8.432 9.049 ( 0.000 -2.403 -8.282) 8.624 9.524 ( 0.000 -2.506 -12.956) 13.196 9.578 ( -0.000 3.399 -16.986) 17.322 9.992 ( -0.000 1.163 6.964) 7.061 10.078 ( -0.000 7.121 5.760) 9.159 10.746 ( 0.000 -6.711 -3.963) 7.793 10.870 ( -0.000 3.257 0.734) 3.339 10.932 ( 0.000 -3.895 0.872) 3.991 11.048 ( -0.000 3.525 1.069) 3.684 11.202 ( 0.000 -1.358 -3.857) 4.089 11.253 ( -0.000 2.500 -4.459) 5.112 11.500 ( 0.000 -3.562 10.069) 10.680 11.597 ( -0.000 4.604 5.729) 7.350 12.312 ( 0.000 -4.272 3.708) 5.657 12.379 ( -0.000 0.589 2.968) 3.026 12.395 ( 0.000 0.244 5.002) 5.008 13.483 ( -0.000 -0.265 -15.528) 15.531 14.319 ( -0.000 0.222 -0.315) 0.385 14.724 ( -0.000 1.554 3.097) 3.465 15.750 ( 0.000 -1.992 2.472) 3.175 15.763 ( 0.000 -0.149 1.803) 1.809 15.998 ( 0.000 0.354 5.904) 5.914 16.161 ( 0.000 -3.762 -0.443) 3.788 16.282 ( -0.000 4.203 -0.935) 4.306 17.017 ( 0.000 -5.799 8.355) 10.170 17.185 ( -0.000 2.997 8.227) 8.756 17.341 ( -0.000 2.384 -10.046) 10.325 17.673 ( 0.000 -2.968 -1.910) 3.529 17.675 ( 0.000 -15.477 0.183) 15.478 18.122 ( -0.000 13.691 -0.198) 13.692 18.269 ( -0.000 0.608 -2.232) 2.314 ======================= Grid point 162 (53/65) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( -14.831 -14.548 11.991) 23.987 3.007 ( -17.249 -10.184 5.940) 20.893 3.185 ( -6.168 -2.080 7.385) 9.844 3.303 ( 4.837 -3.635 17.022) 18.066 3.408 ( 5.454 -0.388 7.299) 9.120 3.502 ( -2.950 -9.033 -3.682) 10.191 3.693 ( -0.336 0.318 5.658) 5.677 3.703 ( -0.794 -1.811 -7.255) 7.520 3.740 ( 6.243 6.759 8.429) 12.478 3.892 ( 7.504 1.893 3.626) 8.547 4.063 ( 5.152 1.902 4.319) 6.986 4.406 ( -2.643 -6.117 -7.614) 10.118 4.432 ( -5.517 -4.040 -2.186) 7.179 4.580 ( 2.323 0.231 -6.805) 7.194 4.621 ( -1.759 -0.274 -7.406) 7.617 4.739 ( 2.843 5.919 11.600) 13.329 4.914 ( 3.575 4.128 4.017) 6.779 5.041 ( 2.315 2.509 4.023) 5.276 5.099 ( -26.024 -2.986 -2.707) 26.334 5.347 ( 0.345 2.631 -1.041) 2.850 5.398 ( -1.111 -0.157 2.795) 3.012 5.434 ( 3.746 2.332 -0.523) 4.443 5.688 ( 10.928 7.863 -3.794) 13.988 5.800 ( 4.818 3.943 -10.384) 12.107 6.198 ( 5.366 2.937 -5.533) 8.249 6.368 ( 4.559 -4.461 -4.647) 7.892 6.716 ( -2.441 6.196 -4.716) 8.160 6.869 ( 1.638 -0.551 -33.527) 33.571 7.162 ( 1.610 -2.216 -14.066) 14.330 7.494 ( 4.125 9.251 -9.385) 13.809 7.936 ( 2.202 -0.394 12.357) 12.558 8.005 ( -0.260 3.070 9.078) 9.587 8.106 ( -0.969 -1.722 26.235) 26.309 8.483 ( -1.049 -5.501 13.175) 14.316 8.815 ( -9.825 -6.956 -0.624) 12.054 8.997 ( -0.046 0.307 3.619) 3.632 9.370 ( 3.195 -1.062 -15.300) 15.666 9.470 ( 5.702 7.550 -15.522) 18.178 10.095 ( 1.943 0.793 6.603) 6.928 10.226 ( 0.031 5.790 9.928) 11.494 10.631 ( 0.733 -7.346 -5.976) 9.499 10.875 ( -3.081 2.734 0.576) 4.159 10.905 ( -1.266 -2.219 0.178) 2.561 11.095 ( 2.218 0.703 0.049) 2.327 11.149 ( 1.155 0.509 -5.422) 5.567 11.239 ( 0.960 4.356 -3.295) 5.546 11.602 ( 0.239 -4.442 12.124) 12.915 11.693 ( -1.045 3.202 6.661) 7.464 12.250 ( -3.726 -5.472 -2.834) 7.201 12.373 ( -1.919 -0.504 -4.068) 4.526 12.452 ( 1.099 0.080 5.684) 5.790 13.306 ( -0.478 1.702 -15.761) 15.860 14.351 ( -0.056 0.254 5.131) 5.137 14.767 ( 2.188 1.502 -0.310) 2.672 15.760 ( -2.242 -2.183 4.764) 5.700 15.796 ( 0.130 -0.795 4.247) 4.323 15.999 ( -6.910 -2.321 3.415) 8.049 16.187 ( 6.164 -1.849 0.853) 6.491 16.294 ( 0.127 3.593 -1.986) 4.108 16.997 ( -8.219 -4.259 2.970) 9.722 17.165 ( 1.720 -3.663 -8.692) 9.587 17.419 ( 0.768 5.631 11.497) 12.824 17.515 ( -4.263 -11.489 0.037) 12.255 17.641 ( -1.602 -3.319 0.851) 3.782 18.207 ( 1.171 5.785 -3.639) 6.933 18.261 ( 4.914 5.384 -5.574) 9.177 ======================= Grid point 163 (54/65) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -21.317 -13.183 13.203) 28.329 2.726 ( -23.195 -9.740 10.828) 27.389 3.167 ( -0.283 -8.294 1.779) 8.488 3.330 ( 1.583 -12.768 -6.508) 14.418 3.455 ( 3.015 -1.963 0.358) 3.615 3.578 ( 2.635 -1.124 12.510) 12.834 3.614 ( -0.203 3.501 -3.392) 4.879 3.751 ( -7.036 6.705 7.535) 12.298 3.948 ( 0.951 -3.315 5.829) 6.773 4.095 ( 6.538 -3.670 8.835) 11.588 4.186 ( 3.563 2.667 5.906) 7.395 4.255 ( -1.597 -1.939 2.319) 3.418 4.329 ( -0.865 -4.097 -1.547) 4.464 4.516 ( 0.590 1.446 -8.805) 8.942 4.558 ( -3.368 2.365 -3.147) 5.180 4.646 ( -22.697 -4.310 -0.612) 23.110 4.879 ( 1.159 -0.799 2.910) 3.232 5.035 ( 4.077 -1.625 4.192) 6.069 5.153 ( 4.568 3.403 -0.403) 5.710 5.364 ( -1.869 4.926 1.052) 5.373 5.476 ( 2.374 2.329 8.210) 8.858 5.557 ( 8.556 5.561 2.017) 10.402 5.765 ( 5.392 4.235 -6.424) 9.396 5.814 ( 3.919 10.108 -11.537) 15.831 6.203 ( 2.119 -0.104 -3.868) 4.412 6.323 ( 5.622 -0.951 -29.908) 30.447 6.398 ( 2.302 0.669 -17.106) 17.273 6.826 ( 0.444 3.752 3.377) 5.068 6.971 ( 3.265 -1.029 -20.098) 20.388 7.406 ( 4.728 4.323 -20.786) 21.751 8.163 ( 1.553 0.301 20.458) 20.519 8.286 ( 2.150 2.645 23.121) 23.371 8.332 ( -0.279 -0.790 18.024) 18.044 8.594 ( -11.691 -4.831 0.078) 12.650 8.646 ( 0.726 -1.009 20.547) 20.584 9.079 ( 2.037 0.736 6.358) 6.717 9.231 ( 4.062 -0.396 -17.401) 17.873 9.464 ( 8.993 11.045 -15.640) 21.154 10.179 ( 0.146 0.217 3.961) 3.969 10.329 ( -2.057 -3.858 7.409) 8.603 10.586 ( 2.474 1.256 0.087) 2.776 10.846 ( -6.372 2.939 0.807) 7.063 10.896 ( 3.332 -1.099 -0.216) 3.515 11.070 ( 2.724 -4.610 -5.191) 7.458 11.157 ( 2.269 2.038 -0.601) 3.108 11.254 ( 0.223 6.357 -3.429) 7.226 11.694 ( -1.035 -4.106 9.285) 10.205 11.776 ( -1.574 -0.206 9.714) 9.843 12.096 ( -4.591 -6.262 -5.924) 9.767 12.238 ( -5.307 -1.496 -8.943) 10.506 12.577 ( 5.220 1.553 9.279) 10.759 13.132 ( -2.117 3.279 -15.854) 16.327 14.424 ( -0.732 0.066 7.770) 7.805 14.789 ( 3.444 1.064 -4.396) 5.685 15.766 ( -3.906 -2.641 6.238) 7.820 15.847 ( 0.012 -1.764 6.000) 6.254 15.925 ( -5.463 -1.901 2.560) 6.325 16.195 ( 0.588 -0.020 -7.260) 7.284 16.348 ( 3.087 0.174 5.221) 6.068 16.806 ( -8.968 -3.176 -9.726) 13.605 17.080 ( -3.183 -5.704 1.413) 6.683 17.355 ( -2.685 -7.783 -5.936) 10.150 17.606 ( -1.294 4.051 11.997) 12.728 17.665 ( -0.607 -1.782 9.882) 10.060 18.182 ( 0.770 1.785 -5.385) 5.725 18.312 ( 6.672 6.450 -8.878) 12.843 ======================= Grid point 164 (55/65) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -23.037 -11.030 13.190) 28.746 2.523 ( -22.886 -8.463 14.403) 28.335 3.091 ( 5.332 -14.434 -5.400) 16.307 3.189 ( 3.602 -13.111 -6.345) 15.004 3.455 ( -3.493 4.141 1.019) 5.512 3.596 ( -0.749 6.085 -10.053) 11.775 3.710 ( 0.371 -1.751 8.075) 8.271 3.769 ( -3.720 -0.296 3.419) 5.061 3.897 ( -12.606 -5.348 11.604) 17.949 4.044 ( -4.644 -4.378 3.292) 7.181 4.225 ( -15.786 1.308 1.377) 15.899 4.283 ( 4.199 -3.857 1.156) 5.818 4.323 ( 0.423 -0.237 -6.160) 6.179 4.455 ( -1.047 3.242 -0.063) 3.407 4.597 ( 5.387 -0.755 -3.379) 6.404 4.663 ( 5.737 4.309 31.421) 32.230 4.895 ( 5.692 -7.387 -1.051) 9.384 5.080 ( 1.308 -2.882 1.791) 3.636 5.204 ( 4.084 1.416 -3.849) 5.788 5.371 ( -2.756 6.253 -5.607) 8.839 5.593 ( -0.969 4.861 -4.942) 6.999 5.727 ( 0.846 8.538 -10.410) 13.490 5.755 ( 11.022 5.204 -0.458) 12.198 5.816 ( 5.409 4.394 0.238) 6.973 6.029 ( 3.392 2.732 -18.309) 18.820 6.171 ( 2.087 -0.897 -12.818) 13.018 6.376 ( 0.658 1.079 3.729) 3.937 6.801 ( 5.195 0.639 -18.736) 19.454 6.905 ( -2.227 0.715 8.628) 8.939 7.259 ( 3.460 1.016 -17.314) 17.685 8.279 ( -12.725 -4.993 -1.977) 13.812 8.343 ( -0.269 -4.451 11.221) 12.075 8.530 ( 2.545 1.199 21.274) 21.459 8.793 ( 7.604 3.770 23.469) 24.956 8.928 ( 3.316 6.299 19.178) 20.456 9.055 ( 3.534 0.469 -21.521) 21.814 9.183 ( 3.755 1.866 2.214) 4.741 9.492 ( 10.393 11.953 -17.827) 23.847 10.190 ( -1.337 0.320 0.508) 1.465 10.329 ( 0.850 -9.127 3.973) 9.990 10.632 ( -3.809 7.506 -0.243) 8.420 10.780 ( -7.310 1.785 0.686) 7.556 10.978 ( 6.965 -1.467 3.300) 7.845 11.018 ( 5.433 -6.891 -4.750) 9.978 11.201 ( 0.321 2.725 1.153) 2.976 11.254 ( -0.410 5.078 -2.899) 5.861 11.717 ( -4.174 -2.242 5.532) 7.283 11.860 ( -2.509 -4.689 10.012) 11.337 11.933 ( -2.656 -4.938 -5.085) 7.569 12.039 ( -4.512 -2.339 -9.870) 11.101 12.849 ( 12.050 3.819 15.469) 19.977 12.928 ( -5.948 4.034 -15.923) 17.470 14.499 ( -1.994 -0.098 8.298) 8.535 14.768 ( 3.483 0.448 -8.300) 9.012 15.759 ( -4.556 -2.445 6.159) 8.042 15.878 ( -0.220 -3.042 2.902) 4.210 15.935 ( -1.498 -0.466 7.993) 8.145 16.083 ( -2.100 1.073 -9.482) 9.771 16.451 ( 2.923 -3.034 7.257) 8.392 16.545 ( -7.481 -3.414 -11.144) 13.849 17.015 ( -5.109 -3.522 2.120) 6.557 17.212 ( -0.509 -5.583 -5.087) 7.570 17.705 ( -3.967 3.101 6.925) 8.562 17.797 ( 1.171 -0.269 12.345) 12.403 18.137 ( -1.206 1.711 -4.898) 5.327 18.329 ( 6.625 3.417 -9.132) 11.788 ======================= Grid point 170 (56/65) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( 0.000 -12.425 14.870) 19.378 3.158 ( -0.000 -8.840 1.002) 8.897 3.171 ( 0.000 -13.529 1.631) 13.627 3.278 ( -0.000 -2.101 2.392) 3.183 3.401 ( 0.000 -6.531 -5.155) 8.321 3.526 ( 0.000 -10.014 -5.304) 11.332 3.595 ( 0.000 -4.787 17.515) 18.157 3.789 ( 0.000 2.156 8.884) 9.142 3.900 ( 0.000 4.903 11.285) 12.304 3.979 ( 0.000 5.612 16.806) 17.718 4.110 ( 0.000 3.606 6.732) 7.637 4.277 ( -0.000 -4.947 -8.559) 9.886 4.363 ( 0.000 -7.133 -6.615) 9.728 4.489 ( 0.000 4.821 -6.478) 8.075 4.560 ( 0.000 1.316 -8.285) 8.389 4.844 ( 0.000 -0.997 3.712) 3.844 4.981 ( 0.000 4.874 3.937) 6.266 5.055 ( 0.000 0.678 1.753) 1.879 5.363 ( -0.000 2.106 2.571) 3.323 5.387 ( -0.000 2.765 -3.281) 4.290 5.423 ( 0.000 2.051 2.965) 3.605 5.473 ( 0.000 5.434 4.988) 7.376 5.512 ( 0.000 4.077 -3.934) 5.666 5.680 ( 0.000 4.670 -10.254) 11.267 6.097 ( 0.000 5.626 -9.754) 11.260 6.254 ( 0.000 -3.564 -18.890) 19.223 6.425 ( 0.000 -1.443 -19.356) 19.409 6.809 ( 0.000 7.599 2.776) 8.090 6.928 ( 0.000 -3.297 -19.375) 19.653 7.337 ( 0.000 6.568 -19.805) 20.866 8.128 ( 0.000 0.926 21.097) 21.117 8.253 ( 0.000 7.839 22.786) 24.097 8.352 ( 0.000 -7.417 18.299) 19.745 8.633 ( 0.000 -2.922 19.766) 19.981 8.810 ( 0.000 -5.752 -3.583) 6.777 9.048 ( 0.000 0.293 2.397) 2.415 9.180 ( 0.000 1.256 -13.793) 13.850 9.303 ( 0.000 10.079 -16.419) 19.266 10.172 ( 0.000 0.583 7.248) 7.271 10.414 ( 0.000 6.058 13.036) 14.375 10.484 ( 0.000 -6.998 -7.160) 10.012 10.868 ( 0.000 -3.284 -0.500) 3.322 10.922 ( 0.000 -2.478 0.004) 2.478 11.086 ( 0.000 7.326 -8.593) 11.293 11.106 ( 0.000 2.197 0.512) 2.256 11.220 ( 0.000 3.573 -2.817) 4.550 11.707 ( 0.000 -5.995 13.220) 14.516 11.794 ( 0.000 0.489 7.177) 7.194 12.161 ( 0.000 -7.288 -7.571) 10.509 12.336 ( 0.000 -0.364 -6.633) 6.642 12.493 ( 0.000 -0.221 5.598) 5.603 13.155 ( 0.000 5.673 -15.991) 16.968 14.433 ( 0.000 0.482 8.227) 8.241 14.739 ( 0.000 0.478 -3.426) 3.459 15.827 ( 0.000 -2.774 7.094) 7.616 15.833 ( -0.000 -1.381 4.367) 4.581 16.065 ( -0.000 -2.759 -3.530) 4.481 16.123 ( 0.000 -1.142 2.551) 2.795 16.311 ( 0.000 1.384 2.549) 2.901 16.955 ( 0.000 -1.141 -15.970) 16.011 17.117 ( 0.000 -6.675 7.836) 10.294 17.400 ( 0.000 -13.625 -3.783) 14.140 17.611 ( 0.000 6.533 13.590) 15.078 17.671 ( 0.000 -3.141 5.538) 6.366 18.162 ( -0.000 1.593 -8.202) 8.356 18.220 ( 0.000 10.320 -6.459) 12.174 ======================= Grid point 172 (57/65) ======================= q-point: (-0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -10.147 -13.494 2.885) 17.128 2.989 ( -6.285 -12.702 5.188) 15.092 3.066 ( -6.563 -10.924 -0.885) 12.775 3.143 ( -11.036 -11.685 -4.676) 16.739 3.393 ( 8.221 -2.939 5.115) 10.118 3.537 ( 7.919 -1.164 -3.091) 8.580 3.714 ( -2.184 -2.945 11.091) 11.682 3.880 ( 1.838 -2.111 -1.793) 3.324 4.020 ( -3.119 3.960 12.894) 13.844 4.141 ( 0.154 -1.340 -5.556) 5.717 4.177 ( -3.205 -2.330 5.361) 6.667 4.237 ( 1.445 -1.934 -1.593) 2.893 4.355 ( 7.267 0.738 9.320) 11.841 4.476 ( -0.668 2.533 -2.157) 3.394 4.542 ( 0.999 5.507 10.672) 12.051 4.783 ( 2.384 -10.870 -6.557) 12.916 4.986 ( -14.451 0.811 0.252) 14.476 5.103 ( 1.076 1.329 0.219) 1.724 5.127 ( -11.444 2.430 4.765) 12.632 5.426 ( -1.904 5.854 -12.167) 13.636 5.506 ( 5.067 5.001 -0.748) 7.158 5.549 ( 5.065 4.075 -0.841) 6.555 5.622 ( 5.086 5.482 -4.617) 8.788 5.691 ( 10.297 7.677 -5.559) 13.995 5.963 ( 1.296 1.617 -13.341) 13.501 6.036 ( 3.110 2.484 -10.863) 11.569 6.417 ( -2.094 0.626 9.411) 9.661 6.703 ( 2.034 -2.112 -18.270) 18.503 6.919 ( 0.432 5.517 7.191) 9.074 7.178 ( 2.008 3.423 -16.820) 17.282 8.332 ( 0.777 -6.782 11.645) 13.498 8.498 ( 0.227 -2.035 21.213) 21.312 8.529 ( -3.502 0.727 7.738) 8.525 8.726 ( -3.201 4.313 9.506) 10.918 8.861 ( 1.500 2.303 16.393) 16.622 8.971 ( 2.274 1.428 -16.599) 16.815 9.132 ( 0.035 2.331 -0.831) 2.475 9.254 ( 7.164 11.684 -15.719) 20.855 10.243 ( 0.286 -1.592 4.413) 4.700 10.339 ( -4.863 -3.779 -2.091) 6.504 10.636 ( 6.299 1.270 9.823) 11.739 10.841 ( 0.100 -1.693 -0.866) 1.904 10.890 ( 0.088 -2.189 -1.005) 2.410 11.014 ( -4.957 6.632 -7.243) 11.001 11.148 ( 2.362 1.886 1.333) 3.303 11.234 ( 2.043 4.674 -3.732) 6.320 11.796 ( -1.907 -5.673 11.270) 12.761 11.875 ( 0.747 -3.630 9.204) 9.923 11.995 ( -1.808 -7.451 -8.801) 11.673 12.195 ( -5.170 -1.451 -10.294) 11.610 12.618 ( 5.561 0.312 10.604) 11.978 13.023 ( -1.637 8.829 -15.438) 17.860 14.534 ( -0.691 0.873 9.126) 9.193 14.695 ( 1.667 -0.444 -6.409) 6.637 15.854 ( -1.559 -2.594 4.659) 5.556 15.889 ( -0.665 -3.525 5.835) 6.849 15.981 ( -2.344 -1.355 -1.009) 2.890 16.112 ( 0.451 0.247 -6.245) 6.266 16.386 ( 1.488 -3.174 9.128) 9.779 16.731 ( -4.983 -1.440 -15.019) 15.889 17.125 ( -2.206 -7.436 5.635) 9.587 17.252 ( -2.472 -8.474 -4.649) 9.976 17.729 ( 2.697 -2.920 6.750) 7.834 17.804 ( -2.439 5.029 11.737) 13.000 18.099 ( 3.967 1.745 -7.226) 8.426 18.215 ( 0.621 8.220 -7.954) 11.455 ======================= Grid point 173 (58/65) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 3.688 -20.658 -12.269) 24.308 2.777 ( -19.734 -7.135 12.269) 24.308 2.899 ( 5.473 -19.423 -10.549) 22.770 2.899 ( -19.557 -4.972 10.549) 22.770 3.540 ( 0.119 3.387 -7.148) 7.911 3.540 ( 2.874 1.797 7.148) 7.911 3.782 ( -3.272 -1.223 -6.743) 7.594 3.782 ( 0.577 -3.445 6.743) 7.594 4.078 ( 0.984 -5.005 -4.363) 6.713 4.078 ( -4.827 -1.650 4.363) 6.713 4.201 ( -2.033 1.983 -5.150) 5.881 4.201 ( 2.734 -0.769 5.150) 5.881 4.461 ( 4.539 -0.491 -2.809) 5.360 4.461 ( -2.694 3.685 2.809) 5.360 4.655 ( 6.418 -14.414 -7.625) 17.524 4.655 ( -15.692 -1.649 7.625) 17.524 5.048 ( 1.743 3.728 -29.493) 29.779 5.048 ( 2.357 3.373 29.493) 29.779 5.155 ( 3.442 -1.083 -12.969) 13.462 5.155 ( -2.659 2.440 12.969) 13.462 5.666 ( 3.858 8.431 -4.150) 10.158 5.666 ( 5.372 7.557 4.150) 10.158 5.761 ( 2.893 8.460 -7.855) 11.901 5.761 ( 5.880 6.735 7.855) 11.901 5.974 ( 2.635 -0.148 -6.062) 6.612 5.974 ( -1.446 2.208 6.062) 6.612 6.543 ( 4.382 -0.444 -14.977) 15.611 6.543 ( -2.576 3.573 14.977) 15.611 7.057 ( 2.672 0.057 -12.219) 12.508 7.057 ( -1.286 2.343 12.219) 12.508 8.362 ( -10.444 -3.540 -5.548) 12.345 8.362 ( 2.156 -10.815 5.548) 12.345 8.771 ( 2.229 1.956 -21.491) 21.695 8.771 ( 0.580 2.908 21.491) 21.695 8.979 ( 3.278 3.831 -10.250) 11.423 8.979 ( 1.678 4.754 10.250) 11.423 9.261 ( 6.903 10.257 -15.913) 20.152 9.261 ( 5.432 11.107 15.913) 20.152 10.250 ( 1.787 -4.721 -1.655) 5.312 10.250 ( -4.982 -0.813 1.655) 5.312 10.799 ( 2.556 -0.261 -6.710) 7.185 10.799 ( -1.504 2.083 6.710) 7.185 10.907 ( -5.390 1.884 -3.709) 6.809 10.907 ( 4.327 -3.726 3.709) 6.809 11.237 ( 0.573 4.087 -4.628) 6.201 11.237 ( 3.253 2.540 4.628) 6.201 11.827 ( -1.291 -5.404 -7.648) 9.453 11.827 ( -4.034 -3.820 7.648) 9.453 11.968 ( -6.727 -2.907 -11.678) 13.787 11.968 ( 0.846 -7.279 11.678) 13.787 12.881 ( -4.998 10.053 -14.766) 18.550 12.881 ( 11.205 0.698 14.766) 18.550 14.629 ( 2.273 -1.026 -8.823) 9.168 14.629 ( -2.025 1.456 8.823) 9.168 15.850 ( -0.240 -4.310 -2.686) 5.084 15.850 ( -3.612 -2.363 2.686) 5.084 16.021 ( -1.329 0.725 -7.511) 7.662 16.021 ( 1.292 -0.788 7.511) 7.662 16.487 ( -6.817 -1.804 -10.969) 13.040 16.487 ( 1.847 -6.806 10.969) 13.040 17.105 ( -1.696 -5.564 -5.798) 8.214 17.105 ( -3.971 -4.251 5.798) 8.214 17.828 ( -2.610 2.315 -3.964) 5.280 17.828 ( 3.310 -1.103 3.964) 5.280 18.180 ( 1.795 4.058 -7.002) 8.289 18.180 ( 2.617 3.584 7.002) 8.289 ======================= Grid point 181 (59/65) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 0.000 -22.541 -10.974) 25.070 2.807 ( 0.000 -21.268 -10.118) 23.552 3.230 ( 0.000 -4.030 5.017) 6.435 3.287 ( 0.000 -4.231 2.873) 5.114 3.342 ( 0.000 -2.729 5.079) 5.766 3.415 ( 0.000 -1.387 7.903) 8.024 3.793 ( 0.000 -5.423 4.159) 6.835 3.810 ( 0.000 -1.135 -5.746) 5.857 4.040 ( -0.000 -1.114 -7.354) 7.437 4.118 ( 0.000 -4.815 -1.178) 4.957 4.226 ( -0.000 3.618 8.493) 9.232 4.286 ( 0.000 -3.806 0.052) 3.807 4.373 ( -0.000 4.467 1.091) 4.598 4.422 ( 0.000 -9.901 -2.795) 10.288 4.587 ( 0.000 -4.194 -5.597) 6.995 4.844 ( 0.000 3.438 24.559) 24.798 5.041 ( -0.000 6.781 -41.028) 41.585 5.052 ( -0.000 3.087 0.308) 3.102 5.145 ( -0.000 1.787 -0.305) 1.813 5.339 ( -0.000 1.163 -2.504) 2.761 5.436 ( 0.000 -2.732 6.369) 6.931 5.574 ( -0.000 5.235 4.227) 6.728 5.668 ( -0.000 8.979 10.712) 13.978 5.687 ( -0.000 11.197 -1.999) 11.374 5.945 ( -0.000 4.305 -7.185) 8.376 6.017 ( -0.000 2.929 12.475) 12.814 6.485 ( -0.000 -1.494 -14.528) 14.604 6.590 ( -0.000 2.733 15.424) 15.664 7.016 ( -0.000 1.262 -12.658) 12.721 7.063 ( -0.000 5.334 11.621) 12.787 8.330 ( 0.000 -12.767 4.707) 13.607 8.519 ( 0.000 -4.511 -8.153) 9.317 8.735 ( -0.000 2.275 -18.179) 18.320 8.770 ( 0.000 2.899 23.764) 23.941 8.945 ( -0.000 9.266 -10.177) 13.764 8.974 ( -0.000 8.163 3.581) 8.914 9.148 ( -0.000 5.959 -1.863) 6.244 9.181 ( -0.000 9.113 7.319) 11.689 10.209 ( 0.000 -3.057 -1.818) 3.557 10.440 ( -0.000 1.766 7.607) 7.809 10.555 ( 0.000 -7.269 -4.958) 8.799 10.805 ( 0.000 -5.103 -1.230) 5.249 10.970 ( -0.000 7.654 6.960) 10.345 11.030 ( -0.000 6.531 -6.132) 8.958 11.149 ( -0.000 0.266 1.203) 1.232 11.215 ( -0.000 3.331 -2.017) 3.894 11.840 ( 0.000 -7.311 -7.397) 10.400 11.902 ( 0.000 -7.545 11.899) 14.089 11.930 ( 0.000 -4.544 5.487) 7.125 12.091 ( -0.000 -1.508 -11.759) 11.855 12.718 ( 0.000 -1.399 15.021) 15.086 12.944 ( -0.000 12.150 -14.905) 19.229 14.596 ( 0.000 -1.419 -7.720) 7.850 14.656 ( -0.000 2.050 9.189) 9.415 15.845 ( 0.000 -4.699 -1.801) 5.033 15.944 ( 0.000 -1.185 -3.332) 3.537 15.974 ( 0.000 -2.958 9.421) 9.875 16.034 ( -0.000 -0.002 -7.763) 7.763 16.463 ( 0.000 -6.370 11.621) 13.252 16.596 ( -0.000 0.466 -13.217) 13.226 17.087 ( 0.000 -9.600 -0.333) 9.606 17.233 ( 0.000 -4.040 2.797) 4.914 17.722 ( 0.000 -2.694 0.331) 2.714 17.950 ( -0.000 1.045 -12.295) 12.339 18.007 ( -0.000 2.992 11.862) 12.234 18.226 ( -0.000 8.176 -0.942) 8.230 ======================= Grid point 228 (60/65) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 0.000 -0.000 14.169) 14.169 3.239 ( 0.000 -0.000 14.169) 14.169 3.318 ( 0.000 -0.000 7.992) 7.992 3.318 ( 0.000 -0.000 7.992) 7.992 3.323 ( 0.000 -0.000 1.823) 1.823 3.450 ( 0.000 -0.000 18.172) 18.172 3.714 ( 0.000 0.000 -0.765) 0.765 3.714 ( -0.000 -0.000 -0.765) 0.765 3.757 ( -0.000 0.000 -9.022) 9.022 3.889 ( 0.000 0.000 6.318) 6.318 3.889 ( -0.000 -0.000 6.318) 6.318 4.488 ( -0.000 0.000 -9.295) 9.295 4.488 ( -0.000 0.000 -9.295) 9.295 4.618 ( 0.000 -0.000 17.078) 17.078 4.644 ( -0.000 0.000 -11.381) 11.381 4.644 ( -0.000 0.000 -11.381) 11.381 4.761 ( 0.000 -0.000 11.670) 11.670 4.966 ( 0.000 -0.000 10.036) 10.036 5.300 ( -0.000 0.000 -1.172) 1.172 5.404 ( -0.000 0.000 -0.765) 0.765 5.404 ( -0.000 0.000 -0.765) 0.765 5.459 ( 0.000 0.000 -2.079) 2.079 5.459 ( -0.000 -0.000 -2.079) 2.079 5.716 ( -0.000 0.000 -11.293) 11.293 6.035 ( -0.000 0.000 -8.773) 8.773 6.536 ( 0.000 0.000 -0.933) 0.933 6.536 ( 0.000 -0.000 -0.933) 0.933 6.879 ( -0.000 0.000 -41.902) 41.902 7.261 ( 0.000 0.000 -8.726) 8.726 7.261 ( -0.000 0.000 -8.726) 8.726 7.949 ( 0.000 -0.000 7.286) 7.286 7.949 ( 0.000 -0.000 7.286) 7.286 8.144 ( 0.000 -0.000 30.641) 30.641 8.566 ( 0.000 -0.000 11.300) 11.300 8.990 ( 0.000 -0.000 3.179) 3.179 8.993 ( -0.000 0.000 -0.647) 0.647 9.344 ( -0.000 0.000 -18.459) 18.459 9.344 ( -0.000 0.000 -18.459) 18.459 10.101 ( 0.000 -0.000 9.949) 9.949 10.101 ( -0.000 -0.000 9.949) 9.949 10.790 ( 0.000 0.000 -4.079) 4.079 10.790 ( -0.000 -0.000 -4.079) 4.079 11.000 ( 0.000 0.000 0.645) 0.645 11.000 ( 0.000 -0.000 0.645) 0.645 11.162 ( 0.000 0.000 -5.567) 5.567 11.162 ( -0.000 0.000 -5.567) 5.567 11.662 ( 0.000 -0.000 11.409) 11.409 11.662 ( 0.000 -0.000 11.409) 11.409 12.366 ( 0.000 0.000 -2.079) 2.079 12.366 ( -0.000 -0.000 -2.079) 2.079 12.447 ( 0.000 -0.000 3.436) 3.436 13.285 ( -0.000 0.000 -18.354) 18.354 14.347 ( 0.000 -0.000 5.213) 5.213 14.733 ( 0.000 -0.000 0.528) 0.528 15.803 ( 0.000 -0.000 4.483) 4.483 15.803 ( 0.000 -0.000 4.483) 4.483 16.099 ( 0.000 -0.000 10.550) 10.550 16.196 ( 0.000 0.000 -2.974) 2.974 16.196 ( -0.000 0.000 -2.974) 2.974 17.165 ( -0.000 0.000 -14.934) 14.934 17.234 ( 0.000 -0.000 11.426) 11.426 17.234 ( 0.000 -0.000 11.426) 11.426 17.691 ( 0.000 -0.000 1.161) 1.161 17.889 ( 0.000 0.000 -2.973) 2.973 17.889 ( -0.000 -0.000 -2.973) 2.973 18.215 ( -0.000 0.000 -6.013) 6.013 ======================= Grid point 229 (61/65) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( -14.296 -8.254 9.156) 18.877 3.208 ( -14.063 -8.119 4.029) 16.731 3.298 ( -2.527 -1.459 6.560) 7.179 3.448 ( 2.845 1.643 1.579) 3.645 3.455 ( -0.258 -0.149 1.835) 1.859 3.615 ( -4.553 -2.629 -5.613) 7.691 3.669 ( -1.782 -1.029 9.305) 9.530 3.783 ( -6.465 -3.733 10.417) 12.816 3.851 ( 7.608 4.392 26.824) 28.226 3.913 ( 6.812 3.933 6.452) 10.173 4.084 ( 5.384 3.109 6.214) 8.790 4.356 ( -2.459 -1.420 -10.585) 10.959 4.384 ( 1.611 0.930 -8.991) 9.181 4.505 ( -1.478 -0.853 -8.139) 8.316 4.510 ( -0.531 -0.307 -10.245) 10.263 4.816 ( 2.911 1.681 10.740) 11.254 4.922 ( 4.256 2.457 6.617) 8.242 5.062 ( 1.600 0.924 3.049) 3.565 5.205 ( -19.761 -11.409 -0.084) 22.818 5.315 ( 1.278 0.738 0.792) 1.675 5.401 ( 1.640 0.947 -0.494) 1.957 5.426 ( 1.659 0.958 2.784) 3.380 5.560 ( 7.607 4.392 -3.608) 9.496 5.628 ( 4.084 2.358 -10.223) 11.259 6.028 ( 9.805 5.661 -9.847) 15.005 6.360 ( -1.287 -0.743 -42.634) 42.660 6.429 ( -5.727 -3.306 2.069) 6.929 6.677 ( 7.016 4.051 2.386) 8.446 7.006 ( -3.187 -1.840 -18.758) 19.115 7.209 ( 7.269 4.197 -18.533) 20.344 8.139 ( 1.019 0.589 20.330) 20.364 8.143 ( 2.767 1.597 21.766) 21.999 8.446 ( -3.544 -2.046 24.009) 24.355 8.684 ( -1.382 -0.798 14.108) 14.198 8.867 ( -7.927 -4.577 -5.299) 10.577 9.055 ( -0.313 -0.181 3.572) 3.590 9.164 ( 3.276 1.891 -16.556) 16.983 9.187 ( 6.373 3.679 -18.491) 19.901 10.184 ( -1.137 -0.656 8.899) 8.995 10.300 ( 4.236 2.446 13.710) 14.556 10.636 ( -3.859 -2.228 -8.204) 9.336 10.813 ( 2.856 1.649 -3.242) 4.624 10.944 ( -3.438 -1.985 0.281) 3.980 11.069 ( 3.558 2.054 0.407) 4.129 11.075 ( 0.228 0.132 -7.389) 7.393 11.148 ( 2.361 1.363 -3.304) 4.284 11.778 ( -2.087 -1.205 10.811) 11.076 11.798 ( -0.374 -0.216 13.707) 13.714 12.263 ( -4.193 -2.421 -6.320) 7.961 12.317 ( -1.771 -1.023 -7.273) 7.555 12.500 ( 1.877 1.083 4.925) 5.381 13.085 ( 1.281 0.740 -18.498) 18.557 14.426 ( 0.027 0.016 8.026) 8.026 14.733 ( 1.280 0.739 -2.712) 3.088 15.844 ( -1.825 -1.054 5.927) 6.290 15.868 ( -0.031 -0.018 6.404) 6.404 16.070 ( -6.016 -3.473 -0.427) 6.959 16.183 ( 1.329 0.767 -5.782) 5.982 16.273 ( 3.143 1.814 9.660) 10.319 16.960 ( -3.343 -1.930 -15.104) 15.589 17.243 ( -6.504 -3.755 8.764) 11.542 17.487 ( 5.626 3.248 13.216) 14.726 17.628 ( -10.959 -6.327 -5.844) 13.939 17.719 ( -1.464 -0.845 6.624) 6.836 18.030 ( 10.147 5.859 -7.161) 13.732 18.145 ( 1.762 1.017 -8.312) 8.557 ======================= Grid point 230 (62/65) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.965 ( -19.937 -11.511 7.232) 24.130 3.005 ( -17.138 -9.895 10.169) 22.249 3.302 ( -3.593 -2.075 2.921) 5.074 3.384 ( -2.694 -1.555 -4.674) 5.615 3.465 ( -4.046 -2.336 -6.355) 7.888 3.475 ( 2.459 1.419 -4.455) 5.283 3.789 ( -5.921 -3.418 9.401) 11.624 3.798 ( -1.626 -0.939 12.359) 12.501 4.053 ( -3.505 -2.024 1.545) 4.332 4.132 ( 8.441 4.873 3.804) 10.463 4.206 ( -3.161 -1.825 -4.472) 5.772 4.332 ( 0.206 0.119 -2.209) 2.221 4.397 ( 0.399 0.231 -9.034) 9.046 4.423 ( 7.387 4.265 31.152) 32.299 4.452 ( 4.936 2.850 -6.796) 8.870 4.825 ( -21.573 -12.455 7.706) 26.075 4.920 ( 0.983 0.567 1.485) 1.869 5.080 ( 3.144 1.815 3.682) 5.171 5.087 ( 3.074 1.775 -6.990) 7.839 5.324 ( -0.440 -0.254 0.116) 0.521 5.498 ( 7.850 4.532 2.448) 9.389 5.503 ( 3.815 2.202 0.502) 4.433 5.582 ( 3.019 1.743 -13.119) 13.574 5.635 ( 7.032 4.060 -4.664) 9.364 5.947 ( 1.500 0.866 -22.812) 22.878 6.071 ( 8.260 4.769 -12.368) 15.619 6.399 ( -3.693 -2.132 7.711) 8.811 6.763 ( -0.255 -0.148 -18.080) 18.083 6.843 ( 4.832 2.790 8.148) 9.875 7.125 ( 6.580 3.799 -16.599) 18.255 8.402 ( 0.339 0.196 21.035) 21.039 8.475 ( 2.480 1.432 17.960) 18.187 8.560 ( -4.511 -2.604 13.213) 14.203 8.653 ( -5.955 -3.438 0.116) 6.877 8.851 ( 1.043 0.602 12.927) 12.983 8.991 ( 3.033 1.751 -19.566) 19.877 9.118 ( 1.433 0.827 -0.181) 1.664 9.144 ( 10.476 6.048 -15.290) 19.497 10.232 ( -2.950 -1.703 4.807) 5.891 10.506 ( 0.249 0.144 -8.263) 8.268 10.514 ( -0.288 -0.166 14.191) 14.195 10.831 ( 1.949 1.125 0.089) 2.252 10.894 ( -0.583 -0.336 -1.408) 1.560 11.011 ( 2.635 1.521 -7.769) 8.343 11.132 ( 2.690 1.553 0.857) 3.222 11.160 ( 2.352 1.358 -1.795) 3.255 11.836 ( -4.512 -2.605 9.531) 10.863 11.948 ( -1.104 -0.638 14.127) 14.185 12.095 ( -5.217 -3.012 -7.913) 9.945 12.151 ( -4.765 -2.751 -10.989) 12.290 12.651 ( 5.797 3.347 10.650) 12.579 12.904 ( 1.092 0.630 -17.463) 17.509 14.518 ( -0.421 -0.243 8.383) 8.397 14.711 ( 1.916 1.106 -6.207) 6.590 15.871 ( -3.340 -1.928 6.071) 7.192 15.946 ( -0.173 -0.100 7.538) 7.541 15.969 ( -4.091 -2.362 -0.793) 4.790 16.108 ( -0.853 -0.492 -8.155) 8.214 16.438 ( 1.617 0.933 11.697) 11.845 16.713 ( -5.292 -3.055 -14.693) 15.913 17.199 ( -8.116 -4.686 5.590) 10.912 17.388 ( -7.932 -4.580 -6.502) 11.232 17.689 ( 0.932 0.538 9.851) 9.910 17.807 ( -0.215 -0.124 11.009) 11.011 18.065 ( 4.886 2.821 -9.608) 11.142 18.126 ( 7.512 4.337 -7.333) 11.358 ======================= Grid point 237 (63/65) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 3.290 ( -0.000 -7.104 6.675) 9.748 3.307 ( -0.000 -6.153 2.974) 6.834 3.350 ( 0.000 -4.488 2.940) 5.366 3.354 ( -0.000 -10.682 -2.375) 10.943 3.429 ( -0.000 -2.519 -2.459) 3.521 3.538 ( 0.000 -1.696 -7.569) 7.757 3.855 ( -0.000 -3.074 15.597) 15.897 3.885 ( 0.000 -3.399 7.097) 7.869 3.993 ( 0.000 0.815 11.645) 11.673 4.095 ( 0.000 1.828 -1.696) 2.493 4.214 ( -0.000 0.942 25.007) 25.025 4.257 ( 0.000 -0.491 -1.854) 1.918 4.325 ( 0.000 3.438 -3.088) 4.622 4.373 ( 0.000 1.006 -0.296) 1.049 4.432 ( 0.000 2.320 -9.541) 9.819 4.893 ( 0.000 0.191 0.662) 0.689 4.976 ( 0.000 1.971 3.456) 3.979 5.032 ( 0.000 1.486 -5.941) 6.124 5.351 ( -0.000 2.973 3.801) 4.825 5.357 ( -0.000 -2.018 -1.713) 2.648 5.392 ( 0.000 0.624 -6.075) 6.107 5.427 ( 0.000 0.320 1.418) 1.454 5.456 ( 0.000 2.322 0.299) 2.341 5.513 ( -0.000 2.929 -7.840) 8.370 5.890 ( 0.000 6.166 -9.084) 10.979 5.940 ( 0.000 -0.314 -24.738) 24.740 6.494 ( -0.000 -5.585 8.205) 9.926 6.735 ( 0.000 8.924 6.928) 11.297 6.784 ( 0.000 -5.863 -17.400) 18.361 7.010 ( 0.000 8.632 -16.679) 18.780 8.373 ( 0.000 -0.207 22.711) 22.712 8.418 ( 0.000 4.693 22.985) 23.459 8.643 ( 0.000 -6.539 12.100) 13.754 8.823 ( 0.000 -4.353 -8.645) 9.679 8.843 ( -0.000 -0.939 8.075) 8.129 8.926 ( 0.000 1.562 -17.129) 17.201 8.974 ( 0.000 7.950 -11.258) 13.782 9.105 ( 0.000 0.409 -1.284) 1.348 10.293 ( 0.000 -3.362 10.343) 10.875 10.469 ( 0.000 7.256 13.902) 15.682 10.506 ( 0.000 -7.754 -8.822) 11.745 10.775 ( 0.000 10.015 -9.878) 14.067 10.954 ( 0.000 -3.233 0.670) 3.301 10.985 ( 0.000 -5.041 -3.868) 6.354 11.072 ( 0.000 3.455 1.038) 3.608 11.124 ( 0.000 4.505 -2.984) 5.404 11.923 ( 0.000 -2.013 11.626) 11.799 11.933 ( -0.000 -2.981 13.616) 13.939 12.160 ( 0.000 -5.502 -9.812) 11.249 12.239 ( 0.000 0.568 -10.196) 10.212 12.565 ( 0.000 1.122 8.830) 8.901 12.887 ( 0.000 3.534 -17.358) 17.714 14.523 ( 0.000 0.348 8.480) 8.488 14.684 ( 0.000 0.345 -5.264) 5.276 15.918 ( 0.000 -1.874 5.993) 6.280 15.940 ( 0.000 -0.798 7.507) 7.549 16.055 ( -0.000 -2.602 -5.339) 5.940 16.104 ( 0.000 0.197 -5.782) 5.786 16.408 ( 0.000 -0.012 14.438) 14.438 16.784 ( 0.000 -0.866 -16.994) 17.016 17.348 ( 0.000 -10.419 9.864) 14.348 17.549 ( 0.000 -13.792 -7.182) 15.550 17.651 ( 0.000 8.731 13.251) 15.869 17.775 ( 0.000 -1.916 5.150) 5.495 17.961 ( 0.000 13.029 -6.681) 14.642 18.034 ( 0.000 1.260 -9.969) 10.048 ======================= Grid point 239 (64/65) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( -2.595 -14.687 -5.382) 15.856 3.186 ( -11.422 -9.591 5.382) 15.856 3.253 ( -2.488 -11.454 -6.789) 13.545 3.253 ( -8.675 -7.882 6.789) 13.545 3.472 ( -1.085 2.525 -5.223) 5.902 3.472 ( 2.730 0.323 5.223) 5.902 3.894 ( -3.660 -4.875 -7.488) 9.656 3.894 ( -2.392 -5.607 7.488) 9.656 4.087 ( 1.877 2.307 -6.153) 6.834 4.087 ( 1.060 2.779 6.153) 6.834 4.234 ( 2.150 -4.229 -4.725) 6.696 4.234 ( -4.737 -0.253 4.725) 6.696 4.369 ( 0.878 4.671 -5.797) 7.496 4.369 ( 3.606 3.096 5.797) 7.496 4.753 ( 2.709 2.606 -26.950) 27.211 4.753 ( 0.902 3.649 26.950) 27.211 5.009 ( 0.616 0.335 -3.601) 3.669 5.009 ( -0.017 0.701 3.601) 3.669 5.218 ( 3.990 -11.274 -11.858) 16.842 5.218 ( -11.759 -2.181 11.858) 16.842 5.461 ( 1.414 5.318 -4.079) 6.850 5.461 ( 3.898 3.884 4.079) 6.850 5.541 ( 5.197 5.156 -3.238) 8.004 5.541 ( 1.867 7.078 3.238) 8.004 5.884 ( 5.343 3.099 -5.870) 8.521 5.884 ( 0.012 6.176 5.870) 8.521 6.563 ( 0.126 -4.037 -14.064) 14.633 6.563 ( -3.560 -1.909 14.064) 14.633 6.933 ( 3.779 6.539 -11.966) 14.150 6.933 ( 3.774 6.542 11.966) 14.150 8.574 ( -6.202 -3.646 -9.298) 11.757 8.574 ( -0.056 -7.194 9.298) 11.757 8.706 ( 1.875 2.267 -7.009) 7.602 8.706 ( 1.025 2.758 7.009) 7.602 8.814 ( 2.978 3.225 -5.949) 7.393 8.814 ( 1.304 4.191 5.949) 7.393 9.070 ( 1.473 2.892 -6.505) 7.269 9.070 ( 1.768 2.721 6.505) 7.269 10.350 ( 0.282 -5.382 -7.670) 9.374 10.350 ( -4.803 -2.447 7.670) 9.374 10.718 ( 3.522 5.994 -13.260) 14.972 10.718 ( 3.430 6.048 13.260) 14.972 10.924 ( 1.221 -3.722 -1.475) 4.185 10.924 ( -3.833 -0.804 1.475) 4.185 11.135 ( 1.091 3.787 -2.296) 4.561 11.135 ( 2.734 2.838 2.296) 4.561 11.987 ( -1.476 -5.973 -10.496) 12.166 11.987 ( -4.435 -4.265 10.496) 12.166 12.079 ( -4.349 -0.390 -12.473) 13.215 12.079 ( 1.837 -3.961 12.473) 13.215 12.739 ( -0.406 5.134 -14.296) 15.195 12.739 ( 4.649 2.216 14.296) 15.195 14.618 ( 0.889 0.043 -7.629) 7.680 14.618 ( -0.407 0.791 7.629) 7.680 15.951 ( -2.141 -2.872 -4.454) 5.716 15.951 ( -1.417 -3.291 4.454) 5.716 16.029 ( -0.672 0.131 -7.133) 7.165 16.029 ( 0.449 -0.516 7.133) 7.165 16.575 ( -2.462 -0.639 -15.234) 15.445 16.575 ( 0.677 -2.452 15.234) 15.445 17.328 ( -4.752 -10.045 -7.486) 13.398 17.328 ( -6.323 -9.138 7.486) 13.398 17.817 ( 5.766 -1.788 -2.937) 6.713 17.817 ( -4.432 4.099 2.937) 6.713 18.008 ( 7.914 4.388 -0.560) 9.067 18.008 ( -0.157 9.048 0.560) 9.067 ======================= Grid point 316 (65/65) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( -0.000 -0.069 -4.599) 4.600 3.398 ( -0.000 0.069 -4.599) 4.600 3.398 ( 0.000 -0.069 4.599) 4.600 3.398 ( 0.000 0.069 4.599) 4.600 3.464 ( -0.000 0.000 -6.530) 6.530 3.464 ( 0.000 0.000 6.530) 6.530 4.016 ( -0.000 -0.508 -9.131) 9.145 4.016 ( -0.000 0.508 -9.131) 9.145 4.016 ( 0.000 -0.508 9.131) 9.145 4.016 ( 0.000 0.508 9.131) 9.145 4.285 ( 0.000 -1.545 -8.638) 8.775 4.285 ( -0.000 1.545 -8.637) 8.775 4.285 ( 0.000 -1.545 8.637) 8.775 4.285 ( 0.000 1.545 8.637) 8.775 4.666 ( -0.000 0.000 -36.241) 36.241 4.666 ( 0.000 0.000 36.241) 36.241 4.979 ( -0.000 0.000 -0.223) 0.223 4.979 ( 0.000 0.000 0.223) 0.223 5.397 ( -0.000 0.000 -7.403) 7.403 5.397 ( 0.000 0.000 7.403) 7.403 5.409 ( 0.000 -3.591 -1.085) 3.751 5.409 ( 0.000 -3.591 1.085) 3.751 5.409 ( -0.000 3.591 -1.085) 3.751 5.409 ( -0.000 3.591 1.085) 3.751 5.784 ( -0.000 0.000 -2.142) 2.142 5.784 ( 0.000 0.000 2.142) 2.142 6.716 ( 0.000 -7.143 -12.538) 14.430 6.716 ( -0.000 7.143 -12.538) 14.430 6.716 ( 0.000 -7.143 12.538) 14.430 6.716 ( -0.000 7.143 12.538) 14.430 8.641 ( -0.000 -0.401 -22.763) 22.767 8.641 ( -0.000 0.401 -22.763) 22.767 8.641 ( 0.000 -0.401 22.763) 22.767 8.641 ( 0.000 0.401 22.763) 22.767 8.806 ( -0.000 0.000 -7.308) 7.308 8.806 ( 0.000 0.000 7.308) 7.308 9.034 ( -0.000 0.000 -10.707) 10.707 9.034 ( 0.000 0.000 10.707) 10.707 10.505 ( 0.000 -6.894 -11.937) 13.784 10.505 ( -0.000 6.894 -11.937) 13.784 10.505 ( 0.000 -6.894 11.937) 13.784 10.505 ( -0.000 6.894 11.937) 13.784 11.028 ( 0.000 -3.977 -1.780) 4.357 11.028 ( 0.000 -3.977 1.780) 4.357 11.028 ( -0.000 3.977 -1.780) 4.357 11.028 ( -0.000 3.977 1.780) 4.357 12.091 ( 0.000 -1.562 -12.213) 12.312 12.091 ( -0.000 1.562 -12.213) 12.312 12.091 ( 0.000 -1.562 12.213) 12.312 12.091 ( 0.000 1.562 12.213) 12.312 12.680 ( -0.000 0.000 -13.816) 13.816 12.680 ( 0.000 0.000 13.816) 13.816 14.610 ( -0.000 0.000 -7.133) 7.133 14.610 ( 0.000 0.000 7.133) 7.133 16.017 ( -0.000 -1.229 -6.771) 6.881 16.017 ( -0.000 1.229 -6.771) 6.881 16.017 ( 0.000 -1.229 6.771) 6.881 16.017 ( 0.000 1.229 6.771) 6.881 16.595 ( -0.000 0.000 -17.193) 17.193 16.595 ( 0.000 0.000 17.193) 17.193 17.638 ( 0.000 -10.387 -10.849) 15.020 17.638 ( -0.000 10.387 -10.849) 15.020 17.638 ( 0.000 -10.387 10.849) 15.020 17.638 ( -0.000 10.387 10.849) 15.020 17.908 ( -0.000 0.000 -9.911) 9.911 17.908 ( 0.000 -0.000 9.911) 9.911 =================== 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 3/33792 10.0 4807.733 4807.733 9148.554 0.000 -0.000 0.000 3/33792 20.0 841.029 841.029 1416.412 0.000 -0.000 0.000 3/33792 30.0 223.798 223.798 350.357 0.000 -0.000 0.000 3/33792 40.0 98.410 98.410 154.394 0.000 -0.000 0.000 3/33792 50.0 56.551 56.551 91.860 0.000 -0.000 0.000 3/33792 60.0 37.823 37.823 64.235 0.000 -0.000 0.000 3/33792 70.0 27.755 27.755 49.244 0.000 -0.000 0.000 3/33792 80.0 21.648 21.648 39.946 0.000 -0.000 0.000 3/33792 90.0 17.620 17.620 33.641 0.000 -0.000 0.000 3/33792 100.0 14.799 14.799 29.089 0.000 -0.000 0.000 3/33792 110.0 12.729 12.729 25.649 0.000 -0.000 0.000 3/33792 120.0 11.156 11.156 22.957 0.000 -0.000 0.000 3/33792 130.0 9.925 9.925 20.792 0.000 -0.000 0.000 3/33792 140.0 8.938 8.938 19.013 0.000 -0.000 0.000 3/33792 150.0 8.131 8.131 17.525 0.000 -0.000 0.000 3/33792 160.0 7.460 7.460 16.261 0.000 -0.000 0.000 3/33792 170.0 6.893 6.893 15.174 0.000 -0.000 0.000 3/33792 180.0 6.408 6.408 14.228 0.000 -0.000 0.000 3/33792 190.0 5.990 5.990 13.398 0.000 -0.000 0.000 3/33792 200.0 5.624 5.624 12.664 0.000 -0.000 0.000 3/33792 210.0 5.302 5.302 12.008 0.000 -0.000 0.000 3/33792 220.0 5.016 5.016 11.420 0.000 -0.000 0.000 3/33792 230.0 4.760 4.760 10.889 0.000 -0.000 0.000 3/33792 240.0 4.531 4.531 10.407 0.000 -0.000 0.000 3/33792 250.0 4.323 4.323 9.967 0.000 -0.000 0.000 3/33792 260.0 4.134 4.134 9.564 0.000 -0.000 0.000 3/33792 270.0 3.962 3.962 9.193 0.000 -0.000 0.000 3/33792 280.0 3.804 3.804 8.851 0.000 -0.000 0.000 3/33792 290.0 3.659 3.659 8.534 0.000 -0.000 0.000 3/33792 300.0 3.524 3.524 8.240 0.000 -0.000 0.000 3/33792 310.0 3.400 3.400 7.965 0.000 -0.000 0.000 3/33792 320.0 3.284 3.284 7.709 0.000 -0.000 0.000 3/33792 330.0 3.176 3.176 7.469 0.000 -0.000 0.000 3/33792 340.0 3.075 3.075 7.244 0.000 -0.000 0.000 3/33792 350.0 2.981 2.981 7.032 0.000 -0.000 0.000 3/33792 360.0 2.893 2.893 6.833 0.000 -0.000 0.000 3/33792 370.0 2.809 2.809 6.645 0.000 -0.000 0.000 3/33792 380.0 2.731 2.731 6.467 0.000 -0.000 0.000 3/33792 390.0 2.657 2.657 6.298 0.000 -0.000 0.000 3/33792 400.0 2.586 2.586 6.138 0.000 -0.000 0.000 3/33792 410.0 2.520 2.520 5.987 0.000 -0.000 0.000 3/33792 420.0 2.457 2.457 5.842 0.000 -0.000 0.000 3/33792 430.0 2.397 2.397 5.705 0.000 -0.000 0.000 3/33792 440.0 2.340 2.340 5.574 0.000 -0.000 0.000 3/33792 450.0 2.286 2.286 5.448 0.000 -0.000 0.000 3/33792 460.0 2.234 2.234 5.329 0.000 -0.000 0.000 3/33792 470.0 2.185 2.185 5.214 0.000 -0.000 0.000 3/33792 480.0 2.137 2.137 5.105 0.000 -0.000 0.000 3/33792 490.0 2.092 2.092 5.000 0.000 -0.000 0.000 3/33792 500.0 2.049 2.049 4.899 0.000 -0.000 0.000 3/33792 510.0 2.007 2.007 4.802 0.000 -0.000 0.000 3/33792 520.0 1.968 1.968 4.709 0.000 -0.000 0.000 3/33792 530.0 1.929 1.929 4.620 0.000 -0.000 0.000 3/33792 540.0 1.893 1.893 4.534 0.000 -0.000 0.000 3/33792 550.0 1.857 1.857 4.451 0.000 -0.000 0.000 3/33792 560.0 1.823 1.823 4.371 0.000 -0.000 0.000 3/33792 570.0 1.790 1.790 4.294 0.000 -0.000 0.000 3/33792 580.0 1.759 1.759 4.220 0.000 -0.000 0.000 3/33792 590.0 1.728 1.728 4.148 0.000 -0.000 0.000 3/33792 600.0 1.699 1.699 4.078 0.000 -0.000 0.000 3/33792 610.0 1.670 1.670 4.011 0.000 -0.000 0.000 3/33792 620.0 1.643 1.643 3.946 0.000 -0.000 0.000 3/33792 630.0 1.616 1.616 3.883 0.000 -0.000 0.000 3/33792 640.0 1.590 1.590 3.823 0.000 -0.000 0.000 3/33792 650.0 1.565 1.565 3.764 0.000 -0.000 0.000 3/33792 660.0 1.541 1.541 3.706 0.000 -0.000 0.000 3/33792 670.0 1.518 1.518 3.651 0.000 -0.000 0.000 3/33792 680.0 1.495 1.495 3.597 0.000 -0.000 0.000 3/33792 690.0 1.473 1.473 3.545 0.000 -0.000 0.000 3/33792 700.0 1.451 1.451 3.494 0.000 -0.000 0.000 3/33792 710.0 1.431 1.431 3.445 0.000 -0.000 0.000 3/33792 720.0 1.410 1.410 3.397 0.000 -0.000 0.000 3/33792 730.0 1.391 1.391 3.350 0.000 -0.000 0.000 3/33792 740.0 1.372 1.372 3.305 0.000 -0.000 0.000 3/33792 750.0 1.353 1.353 3.261 0.000 -0.000 0.000 3/33792 760.0 1.335 1.335 3.218 0.000 -0.000 0.000 3/33792 770.0 1.318 1.318 3.176 0.000 -0.000 0.000 3/33792 780.0 1.300 1.300 3.135 0.000 -0.000 0.000 3/33792 790.0 1.284 1.284 3.095 0.000 -0.000 0.000 3/33792 800.0 1.268 1.268 3.057 0.000 -0.000 0.000 3/33792 810.0 1.252 1.252 3.019 0.000 -0.000 0.000 3/33792 820.0 1.236 1.236 2.982 0.000 -0.000 0.000 3/33792 830.0 1.221 1.221 2.946 0.000 -0.000 0.000 3/33792 840.0 1.206 1.206 2.911 0.000 -0.000 0.000 3/33792 850.0 1.192 1.192 2.876 0.000 -0.000 0.000 3/33792 860.0 1.178 1.178 2.843 0.000 -0.000 0.000 3/33792 870.0 1.164 1.164 2.810 0.000 -0.000 0.000 3/33792 880.0 1.151 1.151 2.778 0.000 -0.000 0.000 3/33792 890.0 1.138 1.138 2.747 0.000 -0.000 0.000 3/33792 900.0 1.125 1.125 2.717 0.000 -0.000 0.000 3/33792 910.0 1.113 1.113 2.687 0.000 -0.000 0.000 3/33792 920.0 1.101 1.101 2.657 0.000 -0.000 0.000 3/33792 930.0 1.089 1.089 2.629 0.000 -0.000 0.000 3/33792 940.0 1.077 1.077 2.601 0.000 -0.000 0.000 3/33792 950.0 1.065 1.065 2.573 0.000 -0.000 0.000 3/33792 960.0 1.054 1.054 2.547 0.000 -0.000 0.000 3/33792 970.0 1.043 1.043 2.520 0.000 -0.000 0.000 3/33792 980.0 1.033 1.033 2.495 0.000 -0.000 0.000 3/33792 990.0 1.022 1.022 2.469 0.000 -0.000 0.000 3/33792 1000.0 1.012 1.012 2.445 0.000 -0.000 0.000 3/33792 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:19:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|