----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:04:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.349769060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.513977110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.845154910000000 Atomic positions (fractional): *1 Be 0.69590395174734 0.25000000000000 0.12556758272635 9.012 2 Be 0.30409604825266 0.75000000000000 0.87443241727365 9.012 3 Be 0.80409604825266 0.75000000000000 0.62556758272635 9.012 4 Be 0.19590395174734 0.25000000000000 0.37443241727365 9.012 *5 O 0.54656076478392 0.25000000000000 0.15045904150329 15.999 6 O 0.45343923521608 0.75000000000000 0.84954095849671 15.999 7 O 0.95343923521608 0.75000000000000 0.65045904150329 15.999 8 O 0.04656076478392 0.25000000000000 0.34954095849671 15.999 *9 O 0.28019092876085 0.25000000000000 0.24400331682678 15.999 10 O 0.71980907123915 0.75000000000000 0.75599668317322 15.999 11 O 0.21980907123915 0.75000000000000 0.74400331682678 15.999 12 O 0.78019092876085 0.25000000000000 0.25599668317322 15.999 *13 O 0.24910001611735 0.75000000000000 0.01903792644701 15.999 14 O 0.75089998388265 0.25000000000000 0.98096207355299 15.999 15 O 0.25089998388265 0.25000000000000 0.51903792644701 15.999 16 O 0.74910001611735 0.75000000000000 0.48096207355299 15.999 *17 O 0.98460020750413 0.75000000000000 0.11405779828940 15.999 18 O 0.01539979249587 0.25000000000000 0.88594220171060 15.999 19 O 0.51539979249587 0.25000000000000 0.61405779828940 15.999 20 O 0.48460020750413 0.75000000000000 0.38594220171060 15.999 *21 Y 0.61579169865153 0.25000000000000 0.40999492265564 88.906 22 Y 0.38420830134847 0.75000000000000 0.59000507734436 88.906 23 Y 0.88420830134847 0.75000000000000 0.90999492265564 88.906 24 Y 0.11579169865153 0.25000000000000 0.09000507734436 88.906 *25 Y 0.59041395925617 0.25000000000000 0.82260429732904 88.906 26 Y 0.40958604074383 0.75000000000000 0.17739570267096 88.906 27 Y 0.90958604074383 0.75000000000000 0.32260429732904 88.906 28 Y 0.09041395925616 0.25000000000000 0.67739570267096 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.349769060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.513977110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.845154910000000 Atomic positions (fractional): *1 Be 0.69590395174734 0.25000000000000 0.12556758272635 9.012 > 1 2 Be 0.30409604825266 0.75000000000000 0.87443241727365 9.012 > 2 3 Be 0.80409604825266 0.75000000000000 0.62556758272635 9.012 > 3 4 Be 0.19590395174734 0.25000000000000 0.37443241727365 9.012 > 4 *5 O 0.54656076478392 0.25000000000000 0.15045904150329 15.999 > 5 6 O 0.45343923521608 0.75000000000000 0.84954095849671 15.999 > 6 7 O 0.95343923521608 0.75000000000000 0.65045904150329 15.999 > 7 8 O 0.04656076478392 0.25000000000000 0.34954095849671 15.999 > 8 *9 O 0.28019092876085 0.25000000000000 0.24400331682678 15.999 > 9 10 O 0.71980907123915 0.75000000000000 0.75599668317322 15.999 > 10 11 O 0.21980907123915 0.75000000000000 0.74400331682678 15.999 > 11 12 O 0.78019092876085 0.25000000000000 0.25599668317322 15.999 > 12 *13 O 0.24910001611735 0.75000000000000 0.01903792644701 15.999 > 13 14 O 0.75089998388265 0.25000000000000 0.98096207355299 15.999 > 14 15 O 0.25089998388265 0.25000000000000 0.51903792644701 15.999 > 15 16 O 0.74910001611735 0.75000000000000 0.48096207355299 15.999 > 16 *17 O 0.98460020750413 0.75000000000000 0.11405779828940 15.999 > 17 18 O 0.01539979249587 0.25000000000000 0.88594220171060 15.999 > 18 19 O 0.51539979249587 0.25000000000000 0.61405779828940 15.999 > 19 20 O 0.48460020750413 0.75000000000000 0.38594220171060 15.999 > 20 *21 Y 0.61579169865153 0.25000000000000 0.40999492265564 88.906 > 21 22 Y 0.38420830134847 0.75000000000000 0.59000507734436 88.906 > 22 23 Y 0.88420830134847 0.75000000000000 0.90999492265564 88.906 > 23 24 Y 0.11579169865153 0.25000000000000 0.09000507734436 88.906 > 24 *25 Y 0.59041395925617 0.25000000000000 0.82260429732904 88.906 > 25 26 Y 0.40958604074383 0.75000000000000 0.17739570267096 88.906 > 26 27 Y 0.90958604074383 0.75000000000000 0.32260429732904 88.906 > 27 28 Y 0.09041395925616 0.25000000000000 0.67739570267096 88.906 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.349769060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.541931330000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.845154910000000 Atomic positions (fractional): *1 Be 0.69590395174734 0.08333333333333 0.12556758272635 9.012 > 1 2 Be 0.69590395174734 0.41666666666667 0.12556758272635 9.012 > 1 3 Be 0.69590395174734 0.75000000000000 0.12556758272635 9.012 > 1 4 Be 0.30409604825266 0.25000000000000 0.87443241727365 9.012 > 2 5 Be 0.30409604825266 0.58333333333333 0.87443241727365 9.012 > 2 6 Be 0.30409604825266 0.91666666666667 0.87443241727365 9.012 > 2 7 Be 0.80409604825266 0.25000000000000 0.62556758272635 9.012 > 3 8 Be 0.80409604825266 0.58333333333333 0.62556758272635 9.012 > 3 9 Be 0.80409604825266 0.91666666666667 0.62556758272635 9.012 > 3 10 Be 0.19590395174734 0.08333333333333 0.37443241727365 9.012 > 4 11 Be 0.19590395174734 0.41666666666667 0.37443241727365 9.012 > 4 12 Be 0.19590395174734 0.75000000000000 0.37443241727365 9.012 > 4 *13 O 0.54656076478392 0.08333333333333 0.15045904150329 15.999 > 5 14 O 0.54656076478392 0.41666666666667 0.15045904150329 15.999 > 5 15 O 0.54656076478392 0.75000000000000 0.15045904150329 15.999 > 5 16 O 0.45343923521608 0.25000000000000 0.84954095849671 15.999 > 6 17 O 0.45343923521608 0.58333333333333 0.84954095849671 15.999 > 6 18 O 0.45343923521608 0.91666666666667 0.84954095849671 15.999 > 6 19 O 0.95343923521608 0.25000000000000 0.65045904150329 15.999 > 7 20 O 0.95343923521608 0.58333333333333 0.65045904150329 15.999 > 7 21 O 0.95343923521608 0.91666666666667 0.65045904150329 15.999 > 7 22 O 0.04656076478392 0.08333333333333 0.34954095849671 15.999 > 8 23 O 0.04656076478392 0.41666666666667 0.34954095849671 15.999 > 8 24 O 0.04656076478392 0.75000000000000 0.34954095849671 15.999 > 8 *25 O 0.28019092876085 0.08333333333333 0.24400331682678 15.999 > 9 26 O 0.28019092876085 0.41666666666667 0.24400331682678 15.999 > 9 27 O 0.28019092876085 0.75000000000000 0.24400331682678 15.999 > 9 28 O 0.71980907123915 0.25000000000000 0.75599668317322 15.999 > 10 29 O 0.71980907123915 0.58333333333333 0.75599668317322 15.999 > 10 30 O 0.71980907123915 0.91666666666667 0.75599668317322 15.999 > 10 31 O 0.21980907123915 0.25000000000000 0.74400331682678 15.999 > 11 32 O 0.21980907123915 0.58333333333333 0.74400331682678 15.999 > 11 33 O 0.21980907123915 0.91666666666667 0.74400331682678 15.999 > 11 34 O 0.78019092876085 0.08333333333333 0.25599668317322 15.999 > 12 35 O 0.78019092876085 0.41666666666667 0.25599668317322 15.999 > 12 36 O 0.78019092876085 0.75000000000000 0.25599668317322 15.999 > 12 *37 O 0.24910001611735 0.25000000000000 0.01903792644701 15.999 > 13 38 O 0.24910001611735 0.58333333333333 0.01903792644701 15.999 > 13 39 O 0.24910001611735 0.91666666666667 0.01903792644701 15.999 > 13 40 O 0.75089998388265 0.08333333333333 0.98096207355299 15.999 > 14 41 O 0.75089998388265 0.41666666666667 0.98096207355299 15.999 > 14 42 O 0.75089998388265 0.75000000000000 0.98096207355299 15.999 > 14 43 O 0.25089998388265 0.08333333333333 0.51903792644701 15.999 > 15 44 O 0.25089998388265 0.41666666666667 0.51903792644701 15.999 > 15 45 O 0.25089998388265 0.75000000000000 0.51903792644701 15.999 > 15 46 O 0.74910001611735 0.25000000000000 0.48096207355299 15.999 > 16 47 O 0.74910001611735 0.58333333333333 0.48096207355299 15.999 > 16 48 O 0.74910001611735 0.91666666666667 0.48096207355299 15.999 > 16 *49 O 0.98460020750413 0.25000000000000 0.11405779828940 15.999 > 17 50 O 0.98460020750413 0.58333333333333 0.11405779828940 15.999 > 17 51 O 0.98460020750413 0.91666666666667 0.11405779828940 15.999 > 17 52 O 0.01539979249587 0.08333333333333 0.88594220171060 15.999 > 18 53 O 0.01539979249587 0.41666666666667 0.88594220171060 15.999 > 18 54 O 0.01539979249587 0.75000000000000 0.88594220171060 15.999 > 18 55 O 0.51539979249587 0.08333333333333 0.61405779828940 15.999 > 19 56 O 0.51539979249587 0.41666666666667 0.61405779828940 15.999 > 19 57 O 0.51539979249587 0.75000000000000 0.61405779828940 15.999 > 19 58 O 0.48460020750413 0.25000000000000 0.38594220171060 15.999 > 20 59 O 0.48460020750413 0.58333333333333 0.38594220171060 15.999 > 20 60 O 0.48460020750413 0.91666666666667 0.38594220171060 15.999 > 20 *61 Y 0.61579169865153 0.08333333333333 0.40999492265564 88.906 > 21 62 Y 0.61579169865153 0.41666666666667 0.40999492265564 88.906 > 21 63 Y 0.61579169865153 0.75000000000000 0.40999492265564 88.906 > 21 64 Y 0.38420830134847 0.25000000000000 0.59000507734436 88.906 > 22 65 Y 0.38420830134847 0.58333333333333 0.59000507734436 88.906 > 22 66 Y 0.38420830134847 0.91666666666667 0.59000507734436 88.906 > 22 67 Y 0.88420830134847 0.25000000000000 0.90999492265564 88.906 > 23 68 Y 0.88420830134847 0.58333333333333 0.90999492265564 88.906 > 23 69 Y 0.88420830134847 0.91666666666667 0.90999492265564 88.906 > 23 70 Y 0.11579169865153 0.08333333333333 0.09000507734436 88.906 > 24 71 Y 0.11579169865153 0.41666666666667 0.09000507734436 88.906 > 24 72 Y 0.11579169865153 0.75000000000000 0.09000507734436 88.906 > 24 *73 Y 0.59041395925617 0.08333333333333 0.82260429732904 88.906 > 25 74 Y 0.59041395925617 0.41666666666667 0.82260429732904 88.906 > 25 75 Y 0.59041395925617 0.75000000000000 0.82260429732904 88.906 > 25 76 Y 0.40958604074383 0.25000000000000 0.17739570267096 88.906 > 26 77 Y 0.40958604074383 0.58333333333333 0.17739570267096 88.906 > 26 78 Y 0.40958604074383 0.91666666666667 0.17739570267096 88.906 > 26 79 Y 0.90958604074383 0.25000000000000 0.32260429732904 88.906 > 27 80 Y 0.90958604074383 0.58333333333333 0.32260429732904 88.906 > 27 81 Y 0.90958604074383 0.91666666666667 0.32260429732904 88.906 > 27 82 Y 0.09041395925616 0.08333333333333 0.67739570267096 88.906 > 28 83 Y 0.09041395925616 0.41666666666667 0.67739570267096 88.906 > 28 84 Y 0.09041395925616 0.75000000000000 0.67739570267096 88.906 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8050680 0.0000000 0.0000000 0.0000000 3.8865975 0.0000000 0.0000000 0.0000000 3.7540358 -------------------------- Born effective charges -------------------------- 1 Be 2.1026519 0.0000000 -0.1538362 0.0000000 0.7323325 0.0000000 -0.1812156 0.0000000 2.2269793 2 Be 2.1026519 0.0000000 -0.1538362 0.0000000 0.7323325 0.0000000 -0.1812156 0.0000000 2.2269793 3 Be 2.1026519 0.0000000 0.1538362 0.0000000 0.7323325 0.0000000 0.1812156 0.0000000 2.2269793 4 Be 2.1026519 0.0000000 0.1538362 0.0000000 0.7323325 0.0000000 0.1812156 0.0000000 2.2269793 5 O -2.5435773 0.0000000 0.1625312 0.0000000 -2.1756357 0.0000000 0.1843072 0.0000000 -1.9202448 6 O -2.5435773 0.0000000 0.1625312 0.0000000 -2.1756357 0.0000000 0.1843072 0.0000000 -1.9202448 7 O -2.5435773 0.0000000 -0.1625312 0.0000000 -2.1756357 0.0000000 -0.1843072 0.0000000 -1.9202448 8 O -2.5435773 0.0000000 -0.1625312 0.0000000 -2.1756357 0.0000000 -0.1843072 0.0000000 -1.9202448 9 O -2.4554520 0.0000000 0.0700900 0.0000000 -2.1060778 0.0000000 -0.0233087 0.0000000 -2.0408778 10 O -2.4554520 0.0000000 0.0700900 0.0000000 -2.1060778 0.0000000 -0.0233087 0.0000000 -2.0408778 11 O -2.4554520 0.0000000 -0.0700900 0.0000000 -2.1060778 0.0000000 0.0233087 0.0000000 -2.0408778 12 O -2.4554520 0.0000000 -0.0700900 0.0000000 -2.1060778 0.0000000 0.0233087 0.0000000 -2.0408778 13 O -2.3053554 0.0000000 0.1206819 0.0000000 -2.0164865 0.0000000 0.0284794 0.0000000 -2.3241590 14 O -2.3053554 0.0000000 0.1206819 0.0000000 -2.0164865 0.0000000 0.0284794 0.0000000 -2.3241590 15 O -2.3053554 0.0000000 -0.1206819 0.0000000 -2.0164865 0.0000000 -0.0284794 0.0000000 -2.3241590 16 O -2.3053554 0.0000000 -0.1206819 0.0000000 -2.0164865 0.0000000 -0.0284794 0.0000000 -2.3241590 17 O -2.1416224 0.0000000 0.2035968 0.0000000 -2.4237112 0.0000000 0.0449419 0.0000000 -2.7534977 18 O -2.1416224 0.0000000 0.2035968 0.0000000 -2.4237112 0.0000000 0.0449419 0.0000000 -2.7534977 19 O -2.1416224 0.0000000 -0.2035968 0.0000000 -2.4237112 0.0000000 -0.0449419 0.0000000 -2.7534977 20 O -2.1416224 0.0000000 -0.2035968 0.0000000 -2.4237112 0.0000000 -0.0449419 0.0000000 -2.7534977 21 Y 3.6859343 0.0000000 -0.2993199 0.0000000 3.9500617 0.0000000 -0.4107819 0.0000000 3.3607642 22 Y 3.6859343 0.0000000 -0.2993199 0.0000000 3.9500617 0.0000000 -0.4107819 0.0000000 3.3607642 23 Y 3.6859343 0.0000000 0.2993199 0.0000000 3.9500617 0.0000000 0.4107819 0.0000000 3.3607642 24 Y 3.6859343 0.0000000 0.2993199 0.0000000 3.9500617 0.0000000 0.4107819 0.0000000 3.3607642 25 Y 3.6574209 0.0000000 0.5220491 0.0000000 4.0395169 0.0000000 0.5377441 0.0000000 3.4510359 26 Y 3.6574209 0.0000000 0.5220491 0.0000000 4.0395169 0.0000000 0.5377441 0.0000000 3.4510359 27 Y 3.6574209 0.0000000 -0.5220491 0.0000000 4.0395169 0.0000000 -0.5377441 0.0000000 3.4510359 28 Y 3.6574209 0.0000000 -0.5220491 0.0000000 4.0395169 0.0000000 -0.5377441 0.0000000 3.4510359 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.429 Solver_block: 200 / 480 - Time: 1.411 Solver_block: 300 / 480 - Time: 1.409 Solver_block: 400 / 480 - Time: 1.411 Solver_block: 480 / 480 - Time: 1.165 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.909 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:04:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:04:57]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.349769060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.513977110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.845154910000000 Atomic positions (fractional): 1 Be 0.69590395174734 0.25000000000000 0.12556758272635 9.012 2 Be 0.30409604825266 0.75000000000000 0.87443241727365 9.012 3 Be 0.80409604825266 0.75000000000000 0.62556758272635 9.012 4 Be 0.19590395174734 0.25000000000000 0.37443241727365 9.012 5 O 0.54656076478392 0.25000000000000 0.15045904150329 15.999 6 O 0.45343923521608 0.75000000000000 0.84954095849671 15.999 7 O 0.95343923521608 0.75000000000000 0.65045904150329 15.999 8 O 0.04656076478392 0.25000000000000 0.34954095849671 15.999 9 O 0.28019092876085 0.25000000000000 0.24400331682678 15.999 10 O 0.71980907123915 0.75000000000000 0.75599668317322 15.999 11 O 0.21980907123915 0.75000000000000 0.74400331682678 15.999 12 O 0.78019092876085 0.25000000000000 0.25599668317322 15.999 13 O 0.24910001611735 0.75000000000000 0.01903792644701 15.999 14 O 0.75089998388265 0.25000000000000 0.98096207355299 15.999 15 O 0.25089998388265 0.25000000000000 0.51903792644701 15.999 16 O 0.74910001611735 0.75000000000000 0.48096207355299 15.999 17 O 0.98460020750413 0.75000000000000 0.11405779828940 15.999 18 O 0.01539979249587 0.25000000000000 0.88594220171060 15.999 19 O 0.51539979249587 0.25000000000000 0.61405779828940 15.999 20 O 0.48460020750413 0.75000000000000 0.38594220171060 15.999 21 Y 0.61579169865153 0.25000000000000 0.40999492265564 88.906 22 Y 0.38420830134847 0.75000000000000 0.59000507734436 88.906 23 Y 0.88420830134847 0.75000000000000 0.90999492265564 88.906 24 Y 0.11579169865153 0.25000000000000 0.09000507734436 88.906 25 Y 0.59041395925617 0.25000000000000 0.82260429732904 88.906 26 Y 0.40958604074383 0.75000000000000 0.17739570267096 88.906 27 Y 0.90958604074383 0.75000000000000 0.32260429732904 88.906 28 Y 0.09041395925616 0.25000000000000 0.67739570267096 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.349769060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.541931330000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.845154910000000 Atomic positions (fractional): 1 Be 0.69590395174734 0.08333333333333 0.12556758272635 9.012 > 1 2 Be 0.69590395174734 0.41666666666667 0.12556758272635 9.012 > 1 3 Be 0.69590395174734 0.75000000000000 0.12556758272635 9.012 > 1 4 Be 0.30409604825266 0.25000000000000 0.87443241727365 9.012 > 4 5 Be 0.30409604825266 0.58333333333333 0.87443241727365 9.012 > 4 6 Be 0.30409604825266 0.91666666666667 0.87443241727365 9.012 > 4 7 Be 0.80409604825266 0.25000000000000 0.62556758272635 9.012 > 7 8 Be 0.80409604825266 0.58333333333333 0.62556758272635 9.012 > 7 9 Be 0.80409604825266 0.91666666666667 0.62556758272635 9.012 > 7 10 Be 0.19590395174734 0.08333333333333 0.37443241727365 9.012 > 10 11 Be 0.19590395174734 0.41666666666667 0.37443241727365 9.012 > 10 12 Be 0.19590395174734 0.75000000000000 0.37443241727365 9.012 > 10 13 O 0.54656076478392 0.08333333333333 0.15045904150329 15.999 > 13 14 O 0.54656076478392 0.41666666666667 0.15045904150329 15.999 > 13 15 O 0.54656076478392 0.75000000000000 0.15045904150329 15.999 > 13 16 O 0.45343923521608 0.25000000000000 0.84954095849671 15.999 > 16 17 O 0.45343923521608 0.58333333333333 0.84954095849671 15.999 > 16 18 O 0.45343923521608 0.91666666666667 0.84954095849671 15.999 > 16 19 O 0.95343923521608 0.25000000000000 0.65045904150329 15.999 > 19 20 O 0.95343923521608 0.58333333333333 0.65045904150329 15.999 > 19 21 O 0.95343923521608 0.91666666666667 0.65045904150329 15.999 > 19 22 O 0.04656076478392 0.08333333333333 0.34954095849671 15.999 > 22 23 O 0.04656076478392 0.41666666666667 0.34954095849671 15.999 > 22 24 O 0.04656076478392 0.75000000000000 0.34954095849671 15.999 > 22 25 O 0.28019092876085 0.08333333333333 0.24400331682678 15.999 > 25 26 O 0.28019092876085 0.41666666666667 0.24400331682678 15.999 > 25 27 O 0.28019092876085 0.75000000000000 0.24400331682678 15.999 > 25 28 O 0.71980907123915 0.25000000000000 0.75599668317322 15.999 > 28 29 O 0.71980907123915 0.58333333333333 0.75599668317322 15.999 > 28 30 O 0.71980907123915 0.91666666666667 0.75599668317322 15.999 > 28 31 O 0.21980907123915 0.25000000000000 0.74400331682678 15.999 > 31 32 O 0.21980907123915 0.58333333333333 0.74400331682678 15.999 > 31 33 O 0.21980907123915 0.91666666666667 0.74400331682678 15.999 > 31 34 O 0.78019092876085 0.08333333333333 0.25599668317322 15.999 > 34 35 O 0.78019092876085 0.41666666666667 0.25599668317322 15.999 > 34 36 O 0.78019092876085 0.75000000000000 0.25599668317322 15.999 > 34 37 O 0.24910001611735 0.25000000000000 0.01903792644701 15.999 > 37 38 O 0.24910001611735 0.58333333333333 0.01903792644701 15.999 > 37 39 O 0.24910001611735 0.91666666666667 0.01903792644701 15.999 > 37 40 O 0.75089998388265 0.08333333333333 0.98096207355299 15.999 > 40 41 O 0.75089998388265 0.41666666666667 0.98096207355299 15.999 > 40 42 O 0.75089998388265 0.75000000000000 0.98096207355299 15.999 > 40 43 O 0.25089998388265 0.08333333333333 0.51903792644701 15.999 > 43 44 O 0.25089998388265 0.41666666666667 0.51903792644701 15.999 > 43 45 O 0.25089998388265 0.75000000000000 0.51903792644701 15.999 > 43 46 O 0.74910001611735 0.25000000000000 0.48096207355299 15.999 > 46 47 O 0.74910001611735 0.58333333333333 0.48096207355299 15.999 > 46 48 O 0.74910001611735 0.91666666666667 0.48096207355299 15.999 > 46 49 O 0.98460020750413 0.25000000000000 0.11405779828940 15.999 > 49 50 O 0.98460020750413 0.58333333333333 0.11405779828940 15.999 > 49 51 O 0.98460020750413 0.91666666666667 0.11405779828940 15.999 > 49 52 O 0.01539979249587 0.08333333333333 0.88594220171060 15.999 > 52 53 O 0.01539979249587 0.41666666666667 0.88594220171060 15.999 > 52 54 O 0.01539979249587 0.75000000000000 0.88594220171060 15.999 > 52 55 O 0.51539979249587 0.08333333333333 0.61405779828940 15.999 > 55 56 O 0.51539979249587 0.41666666666667 0.61405779828940 15.999 > 55 57 O 0.51539979249587 0.75000000000000 0.61405779828940 15.999 > 55 58 O 0.48460020750413 0.25000000000000 0.38594220171060 15.999 > 58 59 O 0.48460020750413 0.58333333333333 0.38594220171060 15.999 > 58 60 O 0.48460020750413 0.91666666666667 0.38594220171060 15.999 > 58 61 Y 0.61579169865153 0.08333333333333 0.40999492265564 88.906 > 61 62 Y 0.61579169865153 0.41666666666667 0.40999492265564 88.906 > 61 63 Y 0.61579169865153 0.75000000000000 0.40999492265564 88.906 > 61 64 Y 0.38420830134847 0.25000000000000 0.59000507734436 88.906 > 64 65 Y 0.38420830134847 0.58333333333333 0.59000507734436 88.906 > 64 66 Y 0.38420830134847 0.91666666666667 0.59000507734436 88.906 > 64 67 Y 0.88420830134847 0.25000000000000 0.90999492265564 88.906 > 67 68 Y 0.88420830134847 0.58333333333333 0.90999492265564 88.906 > 67 69 Y 0.88420830134847 0.91666666666667 0.90999492265564 88.906 > 67 70 Y 0.11579169865153 0.08333333333333 0.09000507734436 88.906 > 70 71 Y 0.11579169865153 0.41666666666667 0.09000507734436 88.906 > 70 72 Y 0.11579169865153 0.75000000000000 0.09000507734436 88.906 > 70 73 Y 0.59041395925617 0.08333333333333 0.82260429732904 88.906 > 73 74 Y 0.59041395925617 0.41666666666667 0.82260429732904 88.906 > 73 75 Y 0.59041395925617 0.75000000000000 0.82260429732904 88.906 > 73 76 Y 0.40958604074383 0.25000000000000 0.17739570267096 88.906 > 76 77 Y 0.40958604074383 0.58333333333333 0.17739570267096 88.906 > 76 78 Y 0.40958604074383 0.91666666666667 0.17739570267096 88.906 > 76 79 Y 0.90958604074383 0.25000000000000 0.32260429732904 88.906 > 79 80 Y 0.90958604074383 0.58333333333333 0.32260429732904 88.906 > 79 81 Y 0.90958604074383 0.91666666666667 0.32260429732904 88.906 > 79 82 Y 0.09041395925616 0.08333333333333 0.67739570267096 88.906 > 82 83 Y 0.09041395925616 0.41666666666667 0.67739570267096 88.906 > 82 84 Y 0.09041395925616 0.75000000000000 0.67739570267096 88.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8050680 0.0000000 0.0000000 0.0000000 3.8865975 0.0000000 0.0000000 0.0000000 3.7540358 -------------------------- Born effective charges -------------------------- 1 Be 2.1026519 0.0000000 -0.1538362 0.0000000 0.7323325 0.0000000 -0.1812156 0.0000000 2.2269793 2 Be 2.1026519 0.0000000 -0.1538362 0.0000000 0.7323325 0.0000000 -0.1812156 0.0000000 2.2269793 3 Be 2.1026519 0.0000000 0.1538362 0.0000000 0.7323325 0.0000000 0.1812156 0.0000000 2.2269793 4 Be 2.1026519 0.0000000 0.1538362 0.0000000 0.7323325 0.0000000 0.1812156 0.0000000 2.2269793 5 O -2.5435773 0.0000000 0.1625312 0.0000000 -2.1756357 0.0000000 0.1843072 0.0000000 -1.9202448 6 O -2.5435773 0.0000000 0.1625312 0.0000000 -2.1756357 0.0000000 0.1843072 0.0000000 -1.9202448 7 O -2.5435773 0.0000000 -0.1625312 0.0000000 -2.1756357 0.0000000 -0.1843072 0.0000000 -1.9202448 8 O -2.5435773 0.0000000 -0.1625312 0.0000000 -2.1756357 0.0000000 -0.1843072 0.0000000 -1.9202448 9 O -2.4554520 0.0000000 0.0700900 0.0000000 -2.1060778 0.0000000 -0.0233087 0.0000000 -2.0408778 10 O -2.4554520 0.0000000 0.0700900 0.0000000 -2.1060778 0.0000000 -0.0233087 0.0000000 -2.0408778 11 O -2.4554520 0.0000000 -0.0700900 0.0000000 -2.1060778 0.0000000 0.0233087 0.0000000 -2.0408778 12 O -2.4554520 0.0000000 -0.0700900 0.0000000 -2.1060778 0.0000000 0.0233087 0.0000000 -2.0408778 13 O -2.3053554 0.0000000 0.1206819 0.0000000 -2.0164865 0.0000000 0.0284794 0.0000000 -2.3241590 14 O -2.3053554 0.0000000 0.1206819 0.0000000 -2.0164865 0.0000000 0.0284794 0.0000000 -2.3241590 15 O -2.3053554 0.0000000 -0.1206819 0.0000000 -2.0164865 0.0000000 -0.0284794 0.0000000 -2.3241590 16 O -2.3053554 0.0000000 -0.1206819 0.0000000 -2.0164865 0.0000000 -0.0284794 0.0000000 -2.3241590 17 O -2.1416224 0.0000000 0.2035968 0.0000000 -2.4237112 0.0000000 0.0449419 0.0000000 -2.7534977 18 O -2.1416224 0.0000000 0.2035968 0.0000000 -2.4237112 0.0000000 0.0449419 0.0000000 -2.7534977 19 O -2.1416224 0.0000000 -0.2035968 0.0000000 -2.4237112 0.0000000 -0.0449419 0.0000000 -2.7534977 20 O -2.1416224 0.0000000 -0.2035968 0.0000000 -2.4237112 0.0000000 -0.0449419 0.0000000 -2.7534977 21 Y 3.6859343 0.0000000 -0.2993199 0.0000000 3.9500617 0.0000000 -0.4107819 0.0000000 3.3607642 22 Y 3.6859343 0.0000000 -0.2993199 0.0000000 3.9500617 0.0000000 -0.4107819 0.0000000 3.3607642 23 Y 3.6859343 0.0000000 0.2993199 0.0000000 3.9500617 0.0000000 0.4107819 0.0000000 3.3607642 24 Y 3.6859343 0.0000000 0.2993199 0.0000000 3.9500617 0.0000000 0.4107819 0.0000000 3.3607642 25 Y 3.6574209 0.0000000 0.5220491 0.0000000 4.0395169 0.0000000 0.5377441 0.0000000 3.4510359 26 Y 3.6574209 0.0000000 0.5220491 0.0000000 4.0395169 0.0000000 0.5377441 0.0000000 3.4510359 27 Y 3.6574209 0.0000000 -0.5220491 0.0000000 4.0395169 0.0000000 -0.5377441 0.0000000 3.4510359 28 Y 3.6574209 0.0000000 -0.5220491 0.0000000 4.0395169 0.0000000 -0.5377441 0.0000000 3.4510359 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 2026-01-07 21:05:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:05:13]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.349769060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.513977110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.845154910000000 Atomic positions (fractional): 1 Be 0.69590395174734 0.25000000000000 0.12556758272635 9.012 2 Be 0.30409604825266 0.75000000000000 0.87443241727365 9.012 3 Be 0.80409604825266 0.75000000000000 0.62556758272635 9.012 4 Be 0.19590395174734 0.25000000000000 0.37443241727365 9.012 5 O 0.54656076478392 0.25000000000000 0.15045904150329 15.999 6 O 0.45343923521608 0.75000000000000 0.84954095849671 15.999 7 O 0.95343923521608 0.75000000000000 0.65045904150329 15.999 8 O 0.04656076478392 0.25000000000000 0.34954095849671 15.999 9 O 0.28019092876085 0.25000000000000 0.24400331682678 15.999 10 O 0.71980907123915 0.75000000000000 0.75599668317322 15.999 11 O 0.21980907123915 0.75000000000000 0.74400331682678 15.999 12 O 0.78019092876085 0.25000000000000 0.25599668317322 15.999 13 O 0.24910001611735 0.75000000000000 0.01903792644701 15.999 14 O 0.75089998388265 0.25000000000000 0.98096207355299 15.999 15 O 0.25089998388265 0.25000000000000 0.51903792644701 15.999 16 O 0.74910001611735 0.75000000000000 0.48096207355299 15.999 17 O 0.98460020750413 0.75000000000000 0.11405779828940 15.999 18 O 0.01539979249587 0.25000000000000 0.88594220171060 15.999 19 O 0.51539979249587 0.25000000000000 0.61405779828940 15.999 20 O 0.48460020750413 0.75000000000000 0.38594220171060 15.999 21 Y 0.61579169865153 0.25000000000000 0.40999492265564 88.906 22 Y 0.38420830134847 0.75000000000000 0.59000507734436 88.906 23 Y 0.88420830134847 0.75000000000000 0.90999492265564 88.906 24 Y 0.11579169865153 0.25000000000000 0.09000507734436 88.906 25 Y 0.59041395925617 0.25000000000000 0.82260429732904 88.906 26 Y 0.40958604074383 0.75000000000000 0.17739570267096 88.906 27 Y 0.90958604074383 0.75000000000000 0.32260429732904 88.906 28 Y 0.09041395925616 0.25000000000000 0.67739570267096 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.349769060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.541931330000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.845154910000000 Atomic positions (fractional): 1 Be 0.69590395174734 0.08333333333333 0.12556758272635 9.012 > 1 2 Be 0.69590395174734 0.41666666666667 0.12556758272635 9.012 > 1 3 Be 0.69590395174734 0.75000000000000 0.12556758272635 9.012 > 1 4 Be 0.30409604825266 0.25000000000000 0.87443241727365 9.012 > 4 5 Be 0.30409604825266 0.58333333333333 0.87443241727365 9.012 > 4 6 Be 0.30409604825266 0.91666666666667 0.87443241727365 9.012 > 4 7 Be 0.80409604825266 0.25000000000000 0.62556758272635 9.012 > 7 8 Be 0.80409604825266 0.58333333333333 0.62556758272635 9.012 > 7 9 Be 0.80409604825266 0.91666666666667 0.62556758272635 9.012 > 7 10 Be 0.19590395174734 0.08333333333333 0.37443241727365 9.012 > 10 11 Be 0.19590395174734 0.41666666666667 0.37443241727365 9.012 > 10 12 Be 0.19590395174734 0.75000000000000 0.37443241727365 9.012 > 10 13 O 0.54656076478392 0.08333333333333 0.15045904150329 15.999 > 13 14 O 0.54656076478392 0.41666666666667 0.15045904150329 15.999 > 13 15 O 0.54656076478392 0.75000000000000 0.15045904150329 15.999 > 13 16 O 0.45343923521608 0.25000000000000 0.84954095849671 15.999 > 16 17 O 0.45343923521608 0.58333333333333 0.84954095849671 15.999 > 16 18 O 0.45343923521608 0.91666666666667 0.84954095849671 15.999 > 16 19 O 0.95343923521608 0.25000000000000 0.65045904150329 15.999 > 19 20 O 0.95343923521608 0.58333333333333 0.65045904150329 15.999 > 19 21 O 0.95343923521608 0.91666666666667 0.65045904150329 15.999 > 19 22 O 0.04656076478392 0.08333333333333 0.34954095849671 15.999 > 22 23 O 0.04656076478392 0.41666666666667 0.34954095849671 15.999 > 22 24 O 0.04656076478392 0.75000000000000 0.34954095849671 15.999 > 22 25 O 0.28019092876085 0.08333333333333 0.24400331682678 15.999 > 25 26 O 0.28019092876085 0.41666666666667 0.24400331682678 15.999 > 25 27 O 0.28019092876085 0.75000000000000 0.24400331682678 15.999 > 25 28 O 0.71980907123915 0.25000000000000 0.75599668317322 15.999 > 28 29 O 0.71980907123915 0.58333333333333 0.75599668317322 15.999 > 28 30 O 0.71980907123915 0.91666666666667 0.75599668317322 15.999 > 28 31 O 0.21980907123915 0.25000000000000 0.74400331682678 15.999 > 31 32 O 0.21980907123915 0.58333333333333 0.74400331682678 15.999 > 31 33 O 0.21980907123915 0.91666666666667 0.74400331682678 15.999 > 31 34 O 0.78019092876085 0.08333333333333 0.25599668317322 15.999 > 34 35 O 0.78019092876085 0.41666666666667 0.25599668317322 15.999 > 34 36 O 0.78019092876085 0.75000000000000 0.25599668317322 15.999 > 34 37 O 0.24910001611735 0.25000000000000 0.01903792644701 15.999 > 37 38 O 0.24910001611735 0.58333333333333 0.01903792644701 15.999 > 37 39 O 0.24910001611735 0.91666666666667 0.01903792644701 15.999 > 37 40 O 0.75089998388265 0.08333333333333 0.98096207355299 15.999 > 40 41 O 0.75089998388265 0.41666666666667 0.98096207355299 15.999 > 40 42 O 0.75089998388265 0.75000000000000 0.98096207355299 15.999 > 40 43 O 0.25089998388265 0.08333333333333 0.51903792644701 15.999 > 43 44 O 0.25089998388265 0.41666666666667 0.51903792644701 15.999 > 43 45 O 0.25089998388265 0.75000000000000 0.51903792644701 15.999 > 43 46 O 0.74910001611735 0.25000000000000 0.48096207355299 15.999 > 46 47 O 0.74910001611735 0.58333333333333 0.48096207355299 15.999 > 46 48 O 0.74910001611735 0.91666666666667 0.48096207355299 15.999 > 46 49 O 0.98460020750413 0.25000000000000 0.11405779828940 15.999 > 49 50 O 0.98460020750413 0.58333333333333 0.11405779828940 15.999 > 49 51 O 0.98460020750413 0.91666666666667 0.11405779828940 15.999 > 49 52 O 0.01539979249587 0.08333333333333 0.88594220171060 15.999 > 52 53 O 0.01539979249587 0.41666666666667 0.88594220171060 15.999 > 52 54 O 0.01539979249587 0.75000000000000 0.88594220171060 15.999 > 52 55 O 0.51539979249587 0.08333333333333 0.61405779828940 15.999 > 55 56 O 0.51539979249587 0.41666666666667 0.61405779828940 15.999 > 55 57 O 0.51539979249587 0.75000000000000 0.61405779828940 15.999 > 55 58 O 0.48460020750413 0.25000000000000 0.38594220171060 15.999 > 58 59 O 0.48460020750413 0.58333333333333 0.38594220171060 15.999 > 58 60 O 0.48460020750413 0.91666666666667 0.38594220171060 15.999 > 58 61 Y 0.61579169865153 0.08333333333333 0.40999492265564 88.906 > 61 62 Y 0.61579169865153 0.41666666666667 0.40999492265564 88.906 > 61 63 Y 0.61579169865153 0.75000000000000 0.40999492265564 88.906 > 61 64 Y 0.38420830134847 0.25000000000000 0.59000507734436 88.906 > 64 65 Y 0.38420830134847 0.58333333333333 0.59000507734436 88.906 > 64 66 Y 0.38420830134847 0.91666666666667 0.59000507734436 88.906 > 64 67 Y 0.88420830134847 0.25000000000000 0.90999492265564 88.906 > 67 68 Y 0.88420830134847 0.58333333333333 0.90999492265564 88.906 > 67 69 Y 0.88420830134847 0.91666666666667 0.90999492265564 88.906 > 67 70 Y 0.11579169865153 0.08333333333333 0.09000507734436 88.906 > 70 71 Y 0.11579169865153 0.41666666666667 0.09000507734436 88.906 > 70 72 Y 0.11579169865153 0.75000000000000 0.09000507734436 88.906 > 70 73 Y 0.59041395925617 0.08333333333333 0.82260429732904 88.906 > 73 74 Y 0.59041395925617 0.41666666666667 0.82260429732904 88.906 > 73 75 Y 0.59041395925617 0.75000000000000 0.82260429732904 88.906 > 73 76 Y 0.40958604074383 0.25000000000000 0.17739570267096 88.906 > 76 77 Y 0.40958604074383 0.58333333333333 0.17739570267096 88.906 > 76 78 Y 0.40958604074383 0.91666666666667 0.17739570267096 88.906 > 76 79 Y 0.90958604074383 0.25000000000000 0.32260429732904 88.906 > 79 80 Y 0.90958604074383 0.58333333333333 0.32260429732904 88.906 > 79 81 Y 0.90958604074383 0.91666666666667 0.32260429732904 88.906 > 79 82 Y 0.09041395925616 0.08333333333333 0.67739570267096 88.906 > 82 83 Y 0.09041395925616 0.41666666666667 0.67739570267096 88.906 > 82 84 Y 0.09041395925616 0.75000000000000 0.67739570267096 88.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8050680 0.0000000 0.0000000 0.0000000 3.8865975 0.0000000 0.0000000 0.0000000 3.7540358 -------------------------- Born effective charges -------------------------- 1 Be 2.1026519 0.0000000 -0.1538362 0.0000000 0.7323325 0.0000000 -0.1812156 0.0000000 2.2269793 2 Be 2.1026519 0.0000000 -0.1538362 0.0000000 0.7323325 0.0000000 -0.1812156 0.0000000 2.2269793 3 Be 2.1026519 0.0000000 0.1538362 0.0000000 0.7323325 0.0000000 0.1812156 0.0000000 2.2269793 4 Be 2.1026519 0.0000000 0.1538362 0.0000000 0.7323325 0.0000000 0.1812156 0.0000000 2.2269793 5 O -2.5435773 0.0000000 0.1625312 0.0000000 -2.1756357 0.0000000 0.1843072 0.0000000 -1.9202448 6 O -2.5435773 0.0000000 0.1625312 0.0000000 -2.1756357 0.0000000 0.1843072 0.0000000 -1.9202448 7 O -2.5435773 0.0000000 -0.1625312 0.0000000 -2.1756357 0.0000000 -0.1843072 0.0000000 -1.9202448 8 O -2.5435773 0.0000000 -0.1625312 0.0000000 -2.1756357 0.0000000 -0.1843072 0.0000000 -1.9202448 9 O -2.4554520 0.0000000 0.0700900 0.0000000 -2.1060778 0.0000000 -0.0233087 0.0000000 -2.0408778 10 O -2.4554520 0.0000000 0.0700900 0.0000000 -2.1060778 0.0000000 -0.0233087 0.0000000 -2.0408778 11 O -2.4554520 0.0000000 -0.0700900 0.0000000 -2.1060778 0.0000000 0.0233087 0.0000000 -2.0408778 12 O -2.4554520 0.0000000 -0.0700900 0.0000000 -2.1060778 0.0000000 0.0233087 0.0000000 -2.0408778 13 O -2.3053554 0.0000000 0.1206819 0.0000000 -2.0164865 0.0000000 0.0284794 0.0000000 -2.3241590 14 O -2.3053554 0.0000000 0.1206819 0.0000000 -2.0164865 0.0000000 0.0284794 0.0000000 -2.3241590 15 O -2.3053554 0.0000000 -0.1206819 0.0000000 -2.0164865 0.0000000 -0.0284794 0.0000000 -2.3241590 16 O -2.3053554 0.0000000 -0.1206819 0.0000000 -2.0164865 0.0000000 -0.0284794 0.0000000 -2.3241590 17 O -2.1416224 0.0000000 0.2035968 0.0000000 -2.4237112 0.0000000 0.0449419 0.0000000 -2.7534977 18 O -2.1416224 0.0000000 0.2035968 0.0000000 -2.4237112 0.0000000 0.0449419 0.0000000 -2.7534977 19 O -2.1416224 0.0000000 -0.2035968 0.0000000 -2.4237112 0.0000000 -0.0449419 0.0000000 -2.7534977 20 O -2.1416224 0.0000000 -0.2035968 0.0000000 -2.4237112 0.0000000 -0.0449419 0.0000000 -2.7534977 21 Y 3.6859343 0.0000000 -0.2993199 0.0000000 3.9500617 0.0000000 -0.4107819 0.0000000 3.3607642 22 Y 3.6859343 0.0000000 -0.2993199 0.0000000 3.9500617 0.0000000 -0.4107819 0.0000000 3.3607642 23 Y 3.6859343 0.0000000 0.2993199 0.0000000 3.9500617 0.0000000 0.4107819 0.0000000 3.3607642 24 Y 3.6859343 0.0000000 0.2993199 0.0000000 3.9500617 0.0000000 0.4107819 0.0000000 3.3607642 25 Y 3.6574209 0.0000000 0.5220491 0.0000000 4.0395169 0.0000000 0.5377441 0.0000000 3.4510359 26 Y 3.6574209 0.0000000 0.5220491 0.0000000 4.0395169 0.0000000 0.5377441 0.0000000 3.4510359 27 Y 3.6574209 0.0000000 -0.5220491 0.0000000 4.0395169 0.0000000 -0.5377441 0.0000000 3.4510359 28 Y 3.6574209 0.0000000 -0.5220491 0.0000000 4.0395169 0.0000000 -0.5377441 0.0000000 3.4510359 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 5 ] 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: 0.58, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.407 ( 0.000 0.000 0.000) 0.000 4.475 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.209 ( 0.000 0.000 0.000) 0.000 6.271 ( 0.000 0.000 0.000) 0.000 6.882 ( 0.000 0.000 0.000) 0.000 7.011 ( 0.000 0.000 0.000) 0.000 7.169 ( 0.000 0.000 0.000) 0.000 7.272 ( 0.000 0.000 0.000) 0.000 7.674 ( 0.000 0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000 8.221 ( 0.000 0.000 0.000) 0.000 8.389 ( 0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 8.572 ( 0.000 0.000 0.000) 0.000 8.758 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 0.000 0.000) 0.000 9.230 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 9.748 ( 0.000 0.000 0.000) 0.000 10.052 ( 0.000 0.000 0.000) 0.000 10.080 ( 0.000 0.000 0.000) 0.000 10.198 ( 0.000 0.000 0.000) 0.000 10.228 ( 0.000 0.000 0.000) 0.000 10.472 ( 0.000 0.000 0.000) 0.000 10.878 ( 0.000 0.000 0.000) 0.000 11.297 ( 0.000 0.000 0.000) 0.000 11.315 ( 0.000 0.000 0.000) 0.000 11.744 ( 0.000 0.000 0.000) 0.000 11.839 ( 0.000 0.000 0.000) 0.000 11.886 ( 0.000 0.000 0.000) 0.000 11.935 ( 0.000 0.000 0.000) 0.000 12.297 ( 0.000 0.000 0.000) 0.000 12.525 ( 0.000 0.000 0.000) 0.000 12.790 ( 0.000 0.000 0.000) 0.000 12.791 ( 0.000 0.000 0.000) 0.000 13.627 ( 0.000 0.000 0.000) 0.000 14.147 ( 0.000 0.000 0.000) 0.000 14.417 ( 0.000 0.000 0.000) 0.000 14.842 ( 0.000 0.000 0.000) 0.000 14.922 ( 0.000 0.000 0.000) 0.000 15.023 ( 0.000 0.000 0.000) 0.000 15.096 ( 0.000 0.000 0.000) 0.000 15.109 ( 0.000 0.000 0.000) 0.000 15.155 ( 0.000 0.000 0.000) 0.000 15.161 ( 0.000 0.000 0.000) 0.000 15.299 ( 0.000 0.000 0.000) 0.000 15.805 ( 0.000 0.000 0.000) 0.000 16.585 ( 0.000 0.000 0.000) 0.000 16.639 ( 0.000 0.000 0.000) 0.000 17.294 ( 0.000 0.000 0.000) 0.000 17.464 ( 0.000 0.000 0.000) 0.000 21.099 ( 0.000 0.000 0.000) 0.000 21.155 ( 0.000 0.000 0.000) 0.000 21.432 ( 0.000 0.000 0.000) 0.000 21.511 ( 0.000 0.000 0.000) 0.000 26.261 ( 0.000 0.000 0.000) 0.000 26.678 ( 0.000 0.000 0.000) 0.000 28.502 ( 0.000 0.000 0.000) 0.000 28.845 ( 0.000 0.000 0.000) 0.000 29.717 ( 0.000 0.000 0.000) 0.000 29.777 ( 0.000 0.000 0.000) 0.000 31.272 ( 0.000 0.000 0.000) 0.000 32.064 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 34.533 0.000 0.000) 34.533 0.842 ( 42.852 0.000 0.000) 42.852 1.460 ( 74.584 0.000 0.000) 74.584 2.182 ( -12.550 0.000 0.000) 12.550 2.365 ( -10.052 0.000 0.000) 10.052 2.417 ( -20.863 0.000 0.000) 20.863 2.584 ( 3.184 0.000 0.000) 3.184 2.863 ( -12.830 0.000 0.000) 12.830 2.956 ( -8.354 0.000 0.000) 8.354 3.312 ( -7.769 0.000 0.000) 7.769 3.449 ( 14.705 0.000 0.000) 14.705 3.667 ( -12.657 0.000 0.000) 12.657 3.986 ( 5.775 0.000 0.000) 5.775 4.032 ( -4.556 0.000 0.000) 4.556 4.394 ( -6.011 0.000 0.000) 6.011 4.396 ( 19.465 0.000 0.000) 19.465 4.446 ( 3.702 0.000 0.000) 3.702 4.636 ( -1.081 0.000 0.000) 1.081 4.897 ( -13.399 0.000 0.000) 13.399 5.483 ( 19.256 0.000 0.000) 19.256 5.537 ( -36.876 0.000 0.000) 36.876 6.322 ( 13.511 0.000 0.000) 13.511 6.404 ( 12.695 0.000 0.000) 12.695 6.796 ( -6.355 0.000 0.000) 6.355 7.177 ( 0.837 0.000 0.000) 0.837 7.260 ( -1.160 0.000 0.000) 1.160 7.331 ( 14.699 0.000 0.000) 14.699 7.678 ( 0.457 0.000 0.000) 0.457 7.717 ( -0.461 0.000 0.000) 0.461 7.959 ( -20.798 0.000 0.000) 20.798 8.359 ( 0.515 0.000 0.000) 0.515 8.586 ( 1.410 0.000 0.000) 1.410 8.739 ( -2.028 0.000 0.000) 2.028 8.740 ( 10.137 0.000 0.000) 10.137 9.022 ( 1.351 0.000 0.000) 1.351 9.124 ( -0.263 0.000 0.000) 0.263 9.230 ( 0.984 0.000 0.000) 0.984 9.526 ( 6.908 0.000 0.000) 6.908 9.690 ( -5.644 0.000 0.000) 5.644 10.026 ( -5.514 0.000 0.000) 5.514 10.052 ( 0.136 0.000 0.000) 0.136 10.168 ( -2.775 0.000 0.000) 2.775 10.242 ( 1.528 0.000 0.000) 1.528 10.456 ( -1.788 0.000 0.000) 1.788 10.841 ( -3.213 0.000 0.000) 3.213 11.131 ( -10.227 0.000 0.000) 10.227 11.433 ( 6.093 0.000 0.000) 6.093 11.760 ( 1.508 0.000 0.000) 1.508 11.794 ( -6.595 0.000 0.000) 6.595 11.836 ( -0.405 0.000 0.000) 0.405 11.843 ( 5.270 0.000 0.000) 5.270 11.933 ( 0.470 0.000 0.000) 0.470 12.729 ( 16.343 0.000 0.000) 16.343 12.790 ( 0.033 0.000 0.000) 0.033 12.791 ( 0.003 0.000 0.000) 0.003 13.287 ( -5.097 0.000 0.000) 5.097 14.097 ( -3.907 0.000 0.000) 3.907 14.375 ( -5.115 0.000 0.000) 5.115 14.869 ( 2.360 0.000 0.000) 2.360 14.908 ( 0.431 0.000 0.000) 0.431 15.030 ( 0.749 0.000 0.000) 0.749 15.099 ( -0.901 0.000 0.000) 0.901 15.103 ( 0.663 0.000 0.000) 0.663 15.151 ( -0.441 0.000 0.000) 0.441 15.170 ( 1.022 0.000 0.000) 1.022 15.254 ( -2.136 0.000 0.000) 2.136 15.427 ( 7.332 0.000 0.000) 7.332 15.865 ( 5.870 0.000 0.000) 5.870 16.347 ( -19.287 0.000 0.000) 19.287 16.527 ( -13.590 0.000 0.000) 13.590 17.481 ( 14.018 0.000 0.000) 14.018 17.599 ( 10.236 0.000 0.000) 10.236 21.095 ( 0.826 0.000 0.000) 0.826 21.208 ( 4.192 0.000 0.000) 4.192 21.392 ( -4.406 0.000 0.000) 4.406 21.465 ( -4.032 0.000 0.000) 4.032 26.822 ( 14.328 0.000 0.000) 14.328 28.191 ( -23.927 0.000 0.000) 23.927 28.935 ( 4.521 0.000 0.000) 4.521 29.012 ( 9.349 0.000 0.000) 9.349 29.685 ( -2.787 0.000 0.000) 2.787 29.750 ( -2.661 0.000 0.000) 2.661 31.388 ( 11.327 0.000 0.000) 11.327 32.208 ( -8.659 0.000 0.000) 8.659 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 32.625 0.000 0.000) 32.625 1.643 ( 39.714 0.000 0.000) 39.714 1.924 ( -28.876 0.000 0.000) 28.876 2.048 ( -0.198 0.000 0.000) 0.198 2.156 ( -9.749 0.000 0.000) 9.749 2.363 ( -33.727 0.000 0.000) 33.727 2.673 ( 5.904 0.000 0.000) 5.904 2.805 ( -7.493 0.000 0.000) 7.493 2.861 ( 69.019 0.000 0.000) 69.019 3.281 ( 3.337 0.000 0.000) 3.337 3.408 ( -11.703 0.000 0.000) 11.703 3.708 ( 11.874 0.000 0.000) 11.874 3.905 ( -8.460 0.000 0.000) 8.460 4.113 ( -52.639 0.000 0.000) 52.639 4.140 ( 8.591 0.000 0.000) 8.591 4.305 ( -12.316 0.000 0.000) 12.316 4.529 ( 4.324 0.000 0.000) 4.324 4.599 ( -2.806 0.000 0.000) 2.806 4.764 ( 17.910 0.000 0.000) 17.910 5.076 ( -15.153 0.000 0.000) 15.153 5.969 ( 27.967 0.000 0.000) 27.967 6.421 ( -13.996 0.000 0.000) 13.996 6.694 ( 14.657 0.000 0.000) 14.657 6.769 ( 7.976 0.000 0.000) 7.976 7.200 ( 1.481 0.000 0.000) 1.481 7.232 ( -1.676 0.000 0.000) 1.676 7.367 ( -4.356 0.000 0.000) 4.356 7.538 ( -20.353 0.000 0.000) 20.353 7.690 ( 0.739 0.000 0.000) 0.739 7.705 ( -0.742 0.000 0.000) 0.742 8.529 ( 14.765 0.000 0.000) 14.765 8.626 ( 2.672 0.000 0.000) 2.672 8.685 ( -3.231 0.000 0.000) 3.231 8.774 ( -7.518 0.000 0.000) 7.518 9.065 ( 2.694 0.000 0.000) 2.694 9.108 ( -1.539 0.000 0.000) 1.539 9.339 ( 10.244 0.000 0.000) 10.244 9.543 ( -9.457 0.000 0.000) 9.457 9.692 ( 9.700 0.000 0.000) 9.700 9.879 ( -9.172 0.000 0.000) 9.172 10.065 ( 1.373 0.000 0.000) 1.373 10.108 ( -2.956 0.000 0.000) 2.956 10.292 ( 3.874 0.000 0.000) 3.874 10.388 ( -5.201 0.000 0.000) 5.201 10.818 ( 2.413 0.000 0.000) 2.413 10.937 ( -9.038 0.000 0.000) 9.038 11.552 ( 6.241 0.000 0.000) 6.241 11.672 ( -6.175 0.000 0.000) 6.175 11.794 ( 1.751 0.000 0.000) 1.751 11.822 ( -1.092 0.000 0.000) 1.092 11.938 ( 3.428 0.000 0.000) 3.428 11.956 ( 1.144 0.000 0.000) 1.144 12.791 ( 0.029 0.000 0.000) 0.029 12.791 ( -0.008 0.000 0.000) 0.008 13.015 ( 11.424 0.000 0.000) 11.424 13.174 ( -6.334 0.000 0.000) 6.334 14.072 ( 3.106 0.000 0.000) 3.106 14.217 ( -9.973 0.000 0.000) 9.973 14.912 ( 1.656 0.000 0.000) 1.656 14.923 ( 0.505 0.000 0.000) 0.505 15.051 ( 1.273 0.000 0.000) 1.273 15.077 ( -1.356 0.000 0.000) 1.356 15.120 ( 0.977 0.000 0.000) 0.977 15.138 ( -0.849 0.000 0.000) 0.849 15.197 ( 1.489 0.000 0.000) 1.489 15.223 ( -1.305 0.000 0.000) 1.305 15.625 ( 13.590 0.000 0.000) 13.590 15.936 ( -14.720 0.000 0.000) 14.720 16.045 ( 5.423 0.000 0.000) 5.423 16.258 ( -13.171 0.000 0.000) 13.171 17.706 ( 7.618 0.000 0.000) 7.618 17.747 ( 3.434 0.000 0.000) 3.434 21.149 ( 4.816 0.000 0.000) 4.816 21.271 ( -7.190 0.000 0.000) 7.190 21.295 ( 4.638 0.000 0.000) 4.638 21.383 ( -4.361 0.000 0.000) 4.361 27.198 ( 23.506 0.000 0.000) 23.506 27.691 ( -26.662 0.000 0.000) 26.662 29.043 ( 5.712 0.000 0.000) 5.712 29.109 ( 0.201 0.000 0.000) 0.201 29.648 ( -0.038 0.000 0.000) 0.038 29.687 ( -3.354 0.000 0.000) 3.354 31.667 ( 16.293 0.000 0.000) 16.293 31.976 ( -14.776 0.000 0.000) 14.776 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.000 30.424 0.000) 30.424 0.726 ( 0.000 36.420 0.000) 36.420 1.413 ( 0.000 68.667 0.000) 68.667 2.304 ( 0.000 -3.719 0.000) 3.719 2.415 ( 0.000 -5.043 0.000) 5.043 2.893 ( 0.000 28.682 0.000) 28.682 2.914 ( 0.000 23.833 0.000) 23.833 2.917 ( 0.000 2.780 0.000) 2.780 3.328 ( 0.000 15.790 0.000) 15.790 3.385 ( 0.000 18.290 0.000) 18.290 3.462 ( 0.000 -0.611 0.000) 0.611 3.830 ( 0.000 4.610 0.000) 4.610 4.040 ( 0.000 5.666 0.000) 5.666 4.072 ( 0.000 2.258 0.000) 2.258 4.362 ( 0.000 20.219 0.000) 20.219 4.482 ( 0.000 1.180 0.000) 1.180 4.533 ( 0.000 10.846 0.000) 10.846 4.866 ( 0.000 20.571 0.000) 20.571 5.007 ( 0.000 5.366 0.000) 5.366 5.274 ( 0.000 -0.844 0.000) 0.844 5.995 ( 0.000 -3.283 0.000) 3.283 6.189 ( 0.000 -1.755 0.000) 1.755 6.229 ( 0.000 -3.991 0.000) 3.991 6.803 ( 0.000 -6.490 0.000) 6.490 6.964 ( 0.000 -2.209 0.000) 2.209 7.436 ( 0.000 13.248 0.000) 13.248 7.776 ( 0.000 6.765 0.000) 6.765 7.899 ( 0.000 15.116 0.000) 15.116 8.152 ( 0.000 -6.207 0.000) 6.207 8.358 ( 0.000 -0.796 0.000) 0.796 8.516 ( 0.000 -1.958 0.000) 1.958 8.677 ( 0.000 10.239 0.000) 10.239 8.679 ( 0.000 -0.345 0.000) 0.345 8.923 ( 0.000 14.176 0.000) 14.176 9.102 ( 0.000 8.194 0.000) 8.194 9.154 ( 0.000 -5.392 0.000) 5.392 9.407 ( 0.000 -7.249 0.000) 7.249 9.453 ( 0.000 0.555 0.000) 0.555 9.714 ( 0.000 3.529 0.000) 3.529 9.743 ( 0.000 -0.446 0.000) 0.446 9.955 ( 0.000 -6.631 0.000) 6.631 10.225 ( 0.000 2.172 0.000) 2.172 10.247 ( 0.000 2.297 0.000) 2.297 10.473 ( 0.000 -0.569 0.000) 0.569 10.610 ( 0.000 11.082 0.000) 11.082 10.904 ( 0.000 2.685 0.000) 2.685 11.308 ( 0.000 -0.674 0.000) 0.674 11.332 ( 0.000 3.136 0.000) 3.136 11.628 ( 0.000 -12.463 0.000) 12.463 11.875 ( 0.000 -3.390 0.000) 3.390 12.072 ( 0.000 7.898 0.000) 7.898 12.258 ( 0.000 -3.781 0.000) 3.781 12.488 ( 0.000 -3.695 0.000) 3.695 12.753 ( 0.000 -2.818 0.000) 2.818 12.823 ( 0.000 3.219 0.000) 3.219 13.397 ( 0.000 1.913 0.000) 1.913 13.658 ( 0.000 2.567 0.000) 2.567 14.131 ( 0.000 -1.455 0.000) 1.455 14.392 ( 0.000 -2.455 0.000) 2.455 14.693 ( 0.000 -9.766 0.000) 9.766 14.955 ( 0.000 3.755 0.000) 3.755 15.086 ( 0.000 -3.227 0.000) 3.227 15.159 ( 0.000 5.102 0.000) 5.102 15.248 ( 0.000 8.859 0.000) 8.859 15.280 ( 0.000 -1.813 0.000) 1.813 15.333 ( 0.000 13.097 0.000) 13.097 15.803 ( 0.000 -0.297 0.000) 0.297 16.591 ( 0.000 0.744 0.000) 0.744 16.659 ( 0.000 2.196 0.000) 2.196 17.286 ( 0.000 -0.742 0.000) 0.742 17.435 ( 0.000 -2.883 0.000) 2.883 18.613 ( 0.000 -3.578 0.000) 3.578 21.064 ( 0.000 -3.349 0.000) 3.349 21.115 ( 0.000 -3.791 0.000) 3.791 21.402 ( 0.000 -2.948 0.000) 2.948 21.474 ( 0.000 -3.584 0.000) 3.584 26.266 ( 0.000 0.498 0.000) 0.498 26.671 ( 0.000 -0.713 0.000) 0.713 28.413 ( 0.000 -8.696 0.000) 8.696 28.712 ( 0.000 -12.675 0.000) 12.675 29.692 ( 0.000 -2.233 0.000) 2.233 29.763 ( 0.000 -1.354 0.000) 1.354 31.181 ( 0.000 -8.581 0.000) 8.581 31.939 ( 0.000 -11.896 0.000) 11.896 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 33.302 16.730 0.000) 37.268 1.184 ( 28.007 29.587 0.000) 40.740 1.881 ( 45.535 40.599 0.000) 61.005 2.170 ( -7.259 1.510 0.000) 7.414 2.316 ( -9.330 -3.566 0.000) 9.988 2.680 ( -19.970 22.253 0.000) 29.900 2.830 ( -8.634 7.720 0.000) 11.582 2.956 ( -1.040 22.103 0.000) 22.127 3.200 ( -5.887 21.466 0.000) 22.259 3.355 ( -5.022 4.376 0.000) 6.661 3.629 ( 13.831 16.377 0.000) 21.436 3.720 ( -10.514 5.969 0.000) 12.090 3.994 ( 3.707 1.784 0.000) 4.114 4.181 ( -0.700 10.444 0.000) 10.467 4.392 ( -6.746 0.304 0.000) 6.753 4.482 ( 13.256 10.641 0.000) 16.999 4.529 ( -1.956 7.502 0.000) 7.753 4.851 ( -1.382 20.102 0.000) 20.150 4.973 ( -7.170 7.333 0.000) 10.256 5.468 ( 19.419 -0.599 0.000) 19.428 5.566 ( -34.630 3.244 0.000) 34.782 6.304 ( 13.585 -1.653 0.000) 13.685 6.352 ( 11.644 -4.725 0.000) 12.566 6.721 ( -6.031 -6.134 0.000) 8.602 7.164 ( 7.668 -5.735 0.000) 9.575 7.484 ( 2.546 10.796 0.000) 11.092 7.805 ( 3.933 9.050 0.000) 9.868 7.841 ( -27.282 17.685 0.000) 32.513 7.891 ( -3.644 10.036 0.000) 10.677 7.956 ( -23.886 16.235 0.000) 28.881 8.338 ( 0.570 0.068 0.000) 0.574 8.649 ( 4.158 0.808 0.000) 4.236 8.732 ( 5.465 5.309 0.000) 7.620 8.881 ( -3.686 12.208 0.000) 12.753 9.136 ( 3.053 10.419 0.000) 10.857 9.165 ( 2.454 -5.683 0.000) 6.190 9.286 ( -1.323 12.027 0.000) 12.099 9.515 ( 5.873 -0.649 0.000) 5.909 9.683 ( -5.754 -0.575 0.000) 5.782 9.925 ( -0.964 -8.199 0.000) 8.256 9.969 ( 1.449 -5.516 0.000) 5.703 10.155 ( -4.197 0.133 0.000) 4.199 10.351 ( 1.902 8.157 0.000) 8.376 10.580 ( -3.292 9.887 0.000) 10.420 10.853 ( 17.375 -27.660 0.000) 32.664 10.868 ( -3.140 2.867 0.000) 4.252 11.236 ( 0.626 -2.124 0.000) 2.214 11.474 ( 8.855 -0.821 0.000) 8.893 11.576 ( -4.247 -13.139 0.000) 13.808 11.835 ( -3.605 -2.841 0.000) 4.590 12.067 ( 1.253 7.839 0.000) 7.939 12.203 ( -3.009 5.515 0.000) 6.282 12.646 ( 10.489 -5.469 0.000) 11.829 12.759 ( 0.628 -2.266 0.000) 2.352 12.867 ( 5.743 4.967 0.000) 7.593 13.381 ( -6.899 7.144 0.000) 9.931 13.770 ( 11.608 -24.229 0.000) 26.866 14.071 ( -5.211 -2.546 0.000) 5.800 14.501 ( 6.286 -3.938 0.000) 7.418 14.657 ( -3.401 -12.121 0.000) 12.589 14.965 ( 2.566 0.953 0.000) 2.737 15.099 ( 1.058 -2.919 0.000) 3.105 15.171 ( 1.243 5.426 0.000) 5.567 15.236 ( -0.857 8.046 0.000) 8.091 15.320 ( 4.042 0.179 0.000) 4.046 15.397 ( 5.778 16.175 0.000) 17.176 15.862 ( 5.748 -0.217 0.000) 5.752 16.375 ( -17.034 2.927 0.000) 17.284 16.477 ( -15.970 4.686 0.000) 16.643 17.187 ( -67.565 56.146 0.000) 87.849 17.464 ( 13.340 -1.691 0.000) 13.447 17.589 ( 6.040 1.245 0.000) 6.167 21.064 ( 1.115 -2.904 0.000) 3.111 21.164 ( 3.973 -4.152 0.000) 5.746 21.350 ( -4.160 -3.673 0.000) 5.549 21.427 ( -4.363 -3.549 0.000) 5.624 26.807 ( 13.708 -1.402 0.000) 13.780 27.726 ( 70.893 -63.245 0.000) 95.004 28.117 ( -22.747 -7.186 0.000) 23.855 28.847 ( 6.246 -15.604 0.000) 16.807 29.662 ( -2.435 -1.904 0.000) 3.091 29.737 ( -2.544 -1.231 0.000) 2.826 31.292 ( 10.718 -9.120 0.000) 14.073 31.953 ( -2.007 -16.394 0.000) 16.516 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 24.760 27.141 0.000) 36.738 1.714 ( 35.197 6.926 0.000) 35.872 2.052 ( 1.299 1.176 0.000) 1.752 2.097 ( -13.372 4.374 0.000) 14.069 2.262 ( -20.063 19.623 0.000) 28.064 2.395 ( -30.776 3.608 0.000) 30.987 2.897 ( 29.425 19.324 0.000) 35.203 3.088 ( -5.897 24.730 0.000) 25.423 3.110 ( 32.419 24.408 0.000) 40.580 3.357 ( 6.624 8.946 0.000) 11.131 3.469 ( -12.229 7.193 0.000) 14.188 3.877 ( 9.223 13.961 0.000) 16.733 4.064 ( -4.479 11.294 0.000) 12.149 4.137 ( -39.467 5.638 0.000) 39.868 4.147 ( 4.867 3.369 0.000) 5.920 4.286 ( -9.394 -0.115 0.000) 9.394 4.757 ( 9.576 7.340 0.000) 12.066 4.783 ( -2.954 20.897 0.000) 21.105 4.835 ( 3.899 14.866 0.000) 15.368 5.084 ( -15.649 1.255 0.000) 15.699 5.945 ( 26.839 -1.885 0.000) 26.905 6.377 ( -14.246 -4.056 0.000) 14.813 6.617 ( 13.672 -6.081 0.000) 14.964 6.718 ( 6.613 -3.924 0.000) 7.689 7.215 ( 3.052 -5.170 0.000) 6.004 7.459 ( -1.855 11.367 0.000) 11.517 7.485 ( -18.258 -2.849 0.000) 18.479 7.515 ( -11.715 20.641 0.000) 23.734 7.880 ( 1.881 15.187 0.000) 15.303 7.894 ( -0.321 16.535 0.000) 16.539 8.477 ( 12.406 -3.527 0.000) 12.898 8.668 ( -3.593 -2.308 0.000) 4.270 8.769 ( -0.711 6.668 0.000) 6.706 8.806 ( -3.562 10.869 0.000) 11.437 9.203 ( 3.448 12.096 0.000) 12.578 9.250 ( -0.396 9.793 0.000) 9.801 9.315 ( 9.750 -0.101 0.000) 9.750 9.525 ( -9.649 -1.716 0.000) 9.800 9.665 ( 8.244 -2.478 0.000) 8.609 9.827 ( -7.672 -4.967 0.000) 9.140 10.010 ( 2.743 -3.220 0.000) 4.230 10.074 ( -3.868 -1.413 0.000) 4.118 10.390 ( 2.969 7.722 0.000) 8.273 10.481 ( -6.085 7.386 0.000) 9.570 10.839 ( 1.160 2.261 0.000) 2.541 10.903 ( -4.241 -4.405 0.000) 6.115 11.359 ( 7.889 -14.600 0.000) 16.596 11.486 ( -5.329 -14.014 0.000) 14.993 11.637 ( 7.289 -3.477 0.000) 8.076 11.752 ( -4.917 -3.088 0.000) 5.806 12.120 ( 3.331 8.321 0.000) 8.963 12.168 ( -1.494 8.833 0.000) 8.958 12.756 ( 2.111 -2.716 0.000) 3.440 12.771 ( 0.244 -1.339 0.000) 1.361 13.048 ( 10.023 2.863 0.000) 10.424 13.217 ( -8.424 3.795 0.000) 9.239 13.941 ( 4.639 -21.308 0.000) 21.807 13.987 ( -2.441 -8.060 0.000) 8.421 14.545 ( 0.328 -8.259 0.000) 8.266 14.583 ( -3.581 -13.655 0.000) 14.117 15.057 ( 4.775 -3.180 0.000) 5.737 15.108 ( -0.679 -2.986 0.000) 3.062 15.201 ( 1.483 5.683 0.000) 5.873 15.221 ( -0.736 6.531 0.000) 6.572 15.443 ( 8.234 5.254 0.000) 9.767 15.513 ( 3.772 18.044 0.000) 18.434 15.963 ( 0.822 0.885 0.000) 1.208 16.116 ( -17.955 19.944 0.000) 26.835 16.141 ( 0.974 12.279 0.000) 12.317 16.381 ( -21.387 24.354 0.000) 32.412 17.678 ( 7.275 -2.685 0.000) 7.754 17.718 ( 3.196 -2.772 0.000) 4.231 21.122 ( 4.834 -2.595 0.000) 5.486 21.239 ( -6.718 -2.975 0.000) 7.347 21.249 ( 4.581 -4.379 0.000) 6.337 21.337 ( -4.582 -4.193 0.000) 6.211 27.167 ( 22.524 -2.942 0.000) 22.715 27.640 ( -25.513 -4.956 0.000) 25.989 28.562 ( 24.490 -38.800 0.000) 45.882 28.850 ( -6.774 -23.342 0.000) 24.305 29.636 ( 0.455 -1.005 0.000) 1.103 29.677 ( -3.189 -0.934 0.000) 3.323 31.551 ( 14.762 -10.904 0.000) 18.352 31.816 ( -11.500 -14.041 0.000) 18.149 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 0.000 29.097 0.000) 29.097 1.482 ( 0.000 37.779 0.000) 37.779 2.223 ( 0.000 -4.187 0.000) 4.187 2.285 ( 0.000 -7.322 0.000) 7.322 2.717 ( 0.000 47.302 0.000) 47.302 3.042 ( 0.000 20.403 0.000) 20.403 3.464 ( 0.000 26.394 0.000) 26.394 3.473 ( 0.000 2.709 0.000) 2.709 3.576 ( 0.000 35.068 0.000) 35.068 3.678 ( 0.000 8.363 0.000) 8.363 3.744 ( 0.000 23.653 0.000) 23.653 4.096 ( 0.000 17.697 0.000) 17.697 4.159 ( 0.000 5.883 0.000) 5.883 4.210 ( 0.000 10.974 0.000) 10.974 4.576 ( 0.000 11.280 0.000) 11.280 4.769 ( 0.000 10.852 0.000) 10.852 4.887 ( 0.000 30.002 0.000) 30.002 5.186 ( 0.000 12.481 0.000) 12.481 5.255 ( 0.000 7.316 0.000) 7.316 5.480 ( 0.000 31.329 0.000) 31.329 5.914 ( 0.000 -3.969 0.000) 3.969 6.121 ( 0.000 -6.245 0.000) 6.245 6.154 ( 0.000 -1.228 0.000) 1.228 6.665 ( 0.000 -6.309 0.000) 6.309 6.966 ( 0.000 2.783 0.000) 2.783 7.742 ( 0.000 16.038 0.000) 16.038 7.784 ( 0.000 -7.090 0.000) 7.090 7.931 ( 0.000 -12.566 0.000) 12.566 8.268 ( 0.000 15.923 0.000) 15.923 8.470 ( 0.000 12.096 0.000) 12.096 8.498 ( 0.000 -2.517 0.000) 2.517 8.571 ( 0.000 -7.276 0.000) 7.276 8.962 ( 0.000 13.830 0.000) 13.830 9.079 ( 0.000 -2.009 0.000) 2.009 9.177 ( 0.000 5.907 0.000) 5.907 9.254 ( 0.000 -3.463 0.000) 3.463 9.273 ( 0.000 5.723 0.000) 5.723 9.554 ( 0.000 11.979 0.000) 11.979 9.708 ( 0.000 -5.198 0.000) 5.198 9.727 ( 0.000 -1.241 0.000) 1.241 9.899 ( 0.000 3.870 0.000) 3.870 10.261 ( 0.000 0.845 0.000) 0.845 10.335 ( 0.000 5.405 0.000) 5.405 10.526 ( 0.000 7.750 0.000) 7.750 10.862 ( 0.000 13.187 0.000) 13.187 10.989 ( 0.000 5.561 0.000) 5.561 11.286 ( 0.000 -1.579 0.000) 1.579 11.383 ( 0.000 -10.622 0.000) 10.622 11.406 ( 0.000 3.698 0.000) 3.698 11.775 ( 0.000 -6.282 0.000) 6.282 12.150 ( 0.000 -6.331 0.000) 6.331 12.214 ( 0.000 6.258 0.000) 6.258 12.373 ( 0.000 -7.608 0.000) 7.608 12.712 ( 0.000 -0.680 0.000) 0.680 12.921 ( 0.000 6.293 0.000) 6.293 13.455 ( 0.000 3.716 0.000) 3.716 13.708 ( 0.000 2.029 0.000) 2.029 14.092 ( 0.000 -2.344 0.000) 2.344 14.316 ( 0.000 -5.037 0.000) 5.037 14.521 ( 0.000 -6.677 0.000) 6.677 14.988 ( 0.000 -6.185 0.000) 6.185 15.084 ( 0.000 8.441 0.000) 8.441 15.224 ( 0.000 -3.687 0.000) 3.687 15.259 ( 0.000 4.236 0.000) 4.236 15.493 ( 0.000 14.500 0.000) 14.500 15.604 ( 0.000 12.773 0.000) 12.773 15.794 ( 0.000 -0.493 0.000) 0.493 16.627 ( 0.000 3.207 0.000) 3.207 16.745 ( 0.000 6.732 0.000) 6.732 17.263 ( 0.000 -1.593 0.000) 1.593 17.350 ( 0.000 -5.319 0.000) 5.319 18.511 ( 0.000 -6.262 0.000) 6.262 20.971 ( 0.000 -5.473 0.000) 5.473 21.011 ( 0.000 -6.111 0.000) 6.111 21.316 ( 0.000 -5.363 0.000) 5.363 21.371 ( 0.000 -6.353 0.000) 6.353 26.281 ( 0.000 1.042 0.000) 1.042 26.651 ( 0.000 -1.170 0.000) 1.170 28.158 ( 0.000 -15.936 0.000) 15.936 28.362 ( 0.000 -20.809 0.000) 20.809 29.640 ( 0.000 -2.596 0.000) 2.596 29.724 ( 0.000 -2.365 0.000) 2.365 30.945 ( 0.000 -14.004 0.000) 14.004 31.606 ( 0.000 -20.093 0.000) 20.093 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 20.073 22.400 0.000) 30.078 1.756 ( 23.873 28.984 0.000) 37.550 2.117 ( -7.629 -1.190 0.000) 7.722 2.226 ( -5.523 -5.060 0.000) 7.491 2.813 ( -1.591 10.476 0.000) 10.596 3.061 ( 9.275 47.107 0.000) 48.012 3.178 ( -19.998 23.417 0.000) 30.794 3.472 ( 1.756 11.270 0.000) 11.406 3.635 ( 5.877 32.517 0.000) 33.044 3.671 ( -5.974 20.998 0.000) 21.831 3.865 ( 6.086 9.419 0.000) 11.214 4.085 ( 0.183 8.721 0.000) 8.723 4.091 ( 1.760 22.201 0.000) 22.271 4.349 ( 6.082 6.974 0.000) 9.254 4.463 ( -9.699 11.035 0.000) 14.691 4.749 ( -4.231 14.679 0.000) 15.277 4.872 ( -0.029 24.983 0.000) 24.983 5.162 ( -0.912 10.031 0.000) 10.072 5.349 ( 3.113 21.418 0.000) 21.643 5.554 ( 12.562 16.415 0.000) 20.670 5.681 ( -23.518 7.775 0.000) 24.770 6.230 ( 10.465 -6.766 0.000) 12.462 6.263 ( 11.705 -2.265 0.000) 11.922 6.600 ( -4.099 -4.579 0.000) 6.146 7.054 ( 3.684 -4.355 0.000) 5.704 7.684 ( -2.856 5.008 0.000) 5.765 7.748 ( -16.549 -9.334 0.000) 19.000 7.913 ( 10.349 3.746 0.000) 11.006 8.149 ( -13.683 7.287 0.000) 15.502 8.348 ( -10.561 13.504 0.000) 17.143 8.472 ( 0.466 12.951 0.000) 12.959 8.582 ( 4.223 -3.775 0.000) 5.664 8.971 ( 1.622 8.245 0.000) 8.403 9.065 ( 4.384 2.592 0.000) 5.093 9.123 ( -3.851 8.443 0.000) 9.280 9.326 ( 4.036 2.875 0.000) 4.955 9.444 ( 7.114 2.241 0.000) 7.458 9.576 ( 1.663 9.738 0.000) 9.879 9.670 ( -5.230 -0.041 0.000) 5.231 9.739 ( 1.322 -9.530 0.000) 9.621 9.936 ( 3.627 4.589 0.000) 5.849 10.196 ( -4.942 3.321 0.000) 5.954 10.483 ( 11.014 -7.893 0.000) 13.550 10.545 ( 3.499 11.069 0.000) 11.609 10.790 ( -7.241 9.868 0.000) 12.239 10.979 ( -1.313 8.724 0.000) 8.822 11.243 ( -3.058 0.705 0.000) 3.138 11.316 ( -5.205 -11.647 0.000) 12.757 11.470 ( 5.199 0.139 0.000) 5.201 11.745 ( -2.829 -5.795 0.000) 6.448 12.185 ( 0.101 3.018 0.000) 3.020 12.185 ( 2.976 -4.805 0.000) 5.652 12.536 ( 11.404 -4.598 0.000) 12.296 12.732 ( 2.010 0.082 0.000) 2.011 12.980 ( 5.828 6.200 0.000) 8.509 13.496 ( 3.518 0.692 0.000) 3.585 13.551 ( -12.218 1.086 0.000) 12.266 14.000 ( -8.704 -4.077 0.000) 9.612 14.411 ( 5.996 -5.483 0.000) 8.125 14.466 ( -4.393 -6.538 0.000) 7.877 14.996 ( -4.745 1.088 0.000) 4.868 15.003 ( 1.063 -6.284 0.000) 6.374 15.280 ( 2.065 4.655 0.000) 5.092 15.343 ( 8.912 2.756 0.000) 9.328 15.453 ( -3.428 12.211 0.000) 12.683 15.690 ( 8.275 11.486 0.000) 14.156 15.871 ( 5.568 1.969 0.000) 5.906 16.482 ( -9.261 7.913 0.000) 12.182 16.566 ( -14.907 5.988 0.000) 16.065 17.414 ( 11.521 -3.146 0.000) 11.942 17.459 ( 5.701 -3.990 0.000) 6.959 17.930 ( -44.902 14.536 0.000) 47.196 20.983 ( 1.815 -4.838 0.000) 5.167 21.051 ( 3.478 -6.611 0.000) 7.470 21.258 ( -4.615 -5.245 0.000) 6.986 21.327 ( -4.356 -6.091 0.000) 7.488 26.766 ( 12.746 -2.857 0.000) 13.062 26.922 ( 49.537 -21.775 0.000) 54.112 27.909 ( -19.361 -12.975 0.000) 23.306 28.425 ( 0.070 -24.508 0.000) 24.508 29.620 ( -1.405 -1.980 0.000) 2.428 29.702 ( -2.173 -2.113 0.000) 3.031 31.040 ( 9.090 -15.005 0.000) 17.544 31.578 ( -3.363 -20.726 0.000) 20.997 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 20.503 8.510 0.000) 22.199 1.999 ( -1.411 1.988 0.000) 2.438 2.136 ( 1.080 2.991 0.000) 3.180 2.271 ( 23.795 20.012 0.000) 31.091 2.504 ( -22.057 6.888 0.000) 23.107 2.761 ( -23.065 23.563 0.000) 32.973 3.376 ( 11.996 20.346 0.000) 23.619 3.537 ( -7.226 14.184 0.000) 15.918 3.617 ( 12.128 30.728 0.000) 33.035 3.807 ( -8.191 24.297 0.000) 25.641 3.840 ( 19.370 30.843 0.000) 36.421 4.161 ( 6.349 9.497 0.000) 11.423 4.186 ( 0.431 15.157 0.000) 15.164 4.266 ( -9.130 8.520 0.000) 12.488 4.401 ( -0.148 12.939 0.000) 12.940 4.521 ( -16.979 25.399 0.000) 30.551 4.941 ( 7.797 14.842 0.000) 16.765 5.146 ( -7.617 7.314 0.000) 10.560 5.281 ( -7.121 24.184 0.000) 25.211 5.321 ( -3.785 27.609 0.000) 27.867 5.930 ( 21.665 1.943 0.000) 21.752 6.278 ( -12.227 -4.883 0.000) 13.166 6.477 ( 13.507 -7.409 0.000) 15.405 6.635 ( 1.858 -4.274 0.000) 4.660 7.089 ( 6.134 -5.462 0.000) 8.213 7.382 ( -19.649 -5.465 0.000) 20.395 7.686 ( 4.003 8.202 0.000) 9.126 7.851 ( -13.033 9.729 0.000) 16.264 8.120 ( 9.284 4.574 0.000) 10.350 8.242 ( -4.077 12.419 0.000) 13.071 8.504 ( 3.252 9.218 0.000) 9.775 8.583 ( -3.535 -1.226 0.000) 3.741 9.009 ( 2.093 12.514 0.000) 12.688 9.056 ( -2.893 11.283 0.000) 11.648 9.243 ( 12.440 -1.482 0.000) 12.528 9.413 ( 4.467 1.798 0.000) 4.815 9.482 ( -10.407 -1.908 0.000) 10.581 9.487 ( -1.616 4.274 0.000) 4.569 9.660 ( 3.213 6.479 0.000) 7.232 9.720 ( -2.660 -2.345 0.000) 3.546 10.019 ( 4.416 5.584 0.000) 7.119 10.102 ( -4.428 4.520 0.000) 6.328 10.544 ( 1.781 5.209 0.000) 5.505 10.629 ( -7.447 6.570 0.000) 9.931 10.770 ( 11.707 -3.510 0.000) 12.221 10.926 ( -4.720 6.501 0.000) 8.034 11.201 ( -0.661 -1.360 0.000) 1.512 11.229 ( -3.352 -9.428 0.000) 10.006 11.577 ( 5.534 -3.090 0.000) 6.338 11.674 ( -4.401 -4.804 0.000) 6.515 12.216 ( 2.076 0.728 0.000) 2.200 12.231 ( 0.963 -1.843 0.000) 2.079 12.715 ( 6.270 -0.643 0.000) 6.303 12.768 ( 0.565 1.417 0.000) 1.526 13.123 ( 8.249 4.449 0.000) 9.373 13.303 ( -11.077 4.094 0.000) 11.809 13.617 ( 7.867 -9.329 0.000) 12.203 13.801 ( -10.736 -8.507 0.000) 13.698 14.412 ( -0.155 -4.755 0.000) 4.757 14.447 ( -2.026 -3.852 0.000) 4.352 14.970 ( 1.686 -5.292 0.000) 5.554 15.006 ( -1.082 -6.768 0.000) 6.854 15.330 ( 2.849 6.263 0.000) 6.881 15.387 ( -3.154 8.628 0.000) 9.187 15.545 ( 12.000 5.405 0.000) 13.161 15.765 ( -7.289 8.311 0.000) 11.055 15.983 ( 11.104 2.681 0.000) 11.423 16.259 ( -15.843 5.459 0.000) 16.757 16.511 ( 15.048 20.666 0.000) 25.564 17.013 ( -35.525 25.663 0.000) 43.825 17.600 ( 6.420 -4.774 0.000) 8.001 17.642 ( 1.708 -4.310 0.000) 4.636 21.049 ( 4.827 -4.441 0.000) 6.559 21.131 ( 4.632 -6.807 0.000) 8.233 21.156 ( -5.792 -4.974 0.000) 7.634 21.227 ( -5.318 -6.304 0.000) 8.248 27.083 ( 19.753 -5.217 0.000) 20.430 27.497 ( -22.255 -8.903 0.000) 23.970 27.788 ( 35.657 -33.527 0.000) 48.944 28.280 ( -15.875 -30.098 0.000) 34.029 29.612 ( 0.900 -1.266 0.000) 1.553 29.651 ( -2.735 -1.549 0.000) 3.144 31.254 ( 11.891 -17.486 0.000) 21.146 31.461 ( -8.790 -20.040 0.000) 21.883 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.000 25.302 0.000) 25.302 2.125 ( 0.000 -1.106 0.000) 1.106 2.138 ( 0.000 -6.636 0.000) 6.636 2.266 ( 0.000 35.004 0.000) 35.004 2.902 ( 0.000 -3.008 0.000) 3.008 3.599 ( 0.000 10.082 0.000) 10.082 3.830 ( 0.000 8.115 0.000) 8.115 3.911 ( 0.000 18.078 0.000) 18.078 4.131 ( 0.000 59.451 0.000) 59.451 4.166 ( 0.000 13.673 0.000) 13.673 4.175 ( 0.000 21.538 0.000) 21.538 4.283 ( 0.000 2.802 0.000) 2.802 4.298 ( 0.000 7.621 0.000) 7.621 4.485 ( 0.000 15.494 0.000) 15.494 4.796 ( 0.000 0.349 0.000) 0.349 5.105 ( 0.000 24.296 0.000) 24.296 5.497 ( 0.000 19.063 0.000) 19.063 5.512 ( 0.000 29.544 0.000) 29.544 5.525 ( 0.000 21.001 0.000) 21.001 5.887 ( 0.000 3.674 0.000) 3.674 5.997 ( 0.000 -5.027 0.000) 5.027 6.131 ( 0.000 -2.485 0.000) 2.485 6.211 ( 0.000 37.507 0.000) 37.507 6.581 ( 0.000 -1.154 0.000) 1.154 7.080 ( 0.000 8.182 0.000) 8.182 7.577 ( 0.000 -10.475 0.000) 10.475 7.617 ( 0.000 -17.723 0.000) 17.723 8.075 ( 0.000 16.613 0.000) 16.613 8.237 ( 0.000 -16.842 0.000) 16.842 8.534 ( 0.000 9.379 0.000) 9.379 8.611 ( 0.000 6.082 0.000) 6.082 8.764 ( 0.000 15.093 0.000) 15.093 8.947 ( 0.000 -7.119 0.000) 7.119 9.037 ( 0.000 -2.800 0.000) 2.800 9.177 ( 0.000 -3.260 0.000) 3.260 9.285 ( 0.000 -2.969 0.000) 2.969 9.527 ( 0.000 20.934 0.000) 20.934 9.529 ( 0.000 -11.059 0.000) 11.059 9.712 ( 0.000 0.006 0.000) 0.006 9.832 ( 0.000 10.972 0.000) 10.972 10.108 ( 0.000 13.767 0.000) 13.767 10.253 ( 0.000 -1.170 0.000) 1.170 10.426 ( 0.000 3.970 0.000) 3.970 10.796 ( 0.000 16.917 0.000) 16.917 11.063 ( 0.000 -1.779 0.000) 1.779 11.139 ( 0.000 14.037 0.000) 14.037 11.245 ( 0.000 -2.388 0.000) 2.388 11.300 ( 0.000 6.036 0.000) 6.036 11.468 ( 0.000 2.180 0.000) 2.180 11.632 ( 0.000 -7.051 0.000) 7.051 12.026 ( 0.000 -5.348 0.000) 5.348 12.185 ( 0.000 -10.674 0.000) 10.674 12.337 ( 0.000 6.068 0.000) 6.068 12.734 ( 0.000 2.870 0.000) 2.870 13.068 ( 0.000 7.739 0.000) 7.739 13.541 ( 0.000 4.501 0.000) 4.501 13.735 ( 0.000 0.667 0.000) 0.667 14.039 ( 0.000 -2.844 0.000) 2.844 14.190 ( 0.000 -7.198 0.000) 7.198 14.417 ( 0.000 -4.418 0.000) 4.418 14.861 ( 0.000 -5.006 0.000) 5.006 15.131 ( 0.000 -5.429 0.000) 5.429 15.192 ( 0.000 -0.739 0.000) 0.739 15.401 ( 0.000 12.124 0.000) 12.124 15.763 ( 0.000 3.129 0.000) 3.129 15.831 ( 0.000 12.430 0.000) 12.430 15.832 ( 0.000 9.456 0.000) 9.456 16.733 ( 0.000 7.271 0.000) 7.271 16.937 ( 0.000 11.887 0.000) 11.887 17.223 ( 0.000 -7.082 0.000) 7.082 17.223 ( 0.000 -2.152 0.000) 2.152 18.369 ( 0.000 -7.385 0.000) 7.385 20.852 ( 0.000 -5.950 0.000) 5.950 20.880 ( 0.000 -6.539 0.000) 6.539 21.190 ( 0.000 -6.823 0.000) 6.823 21.225 ( 0.000 -7.802 0.000) 7.802 26.308 ( 0.000 1.602 0.000) 1.602 26.625 ( 0.000 -1.351 0.000) 1.351 27.788 ( 0.000 -19.777 0.000) 19.777 27.905 ( 0.000 -23.318 0.000) 23.318 29.596 ( 0.000 -1.584 0.000) 1.584 29.672 ( 0.000 -2.692 0.000) 2.692 30.639 ( 0.000 -15.416 0.000) 15.416 31.157 ( 0.000 -23.240 0.000) 23.240 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 8.542 19.042 0.000) 20.870 2.083 ( -4.076 -1.800 0.000) 4.456 2.133 ( 0.647 -2.615 0.000) 2.694 2.376 ( 11.561 31.408 0.000) 33.469 2.833 ( -7.357 -1.838 0.000) 7.583 3.574 ( -18.838 15.750 0.000) 24.555 3.647 ( 3.968 12.077 0.000) 12.712 3.974 ( -10.837 8.561 0.000) 13.810 4.040 ( 3.198 7.482 0.000) 8.137 4.090 ( -4.808 12.836 0.000) 13.707 4.205 ( 6.899 47.882 0.000) 48.376 4.318 ( 2.583 5.012 0.000) 5.638 4.430 ( 9.521 16.133 0.000) 18.733 4.561 ( 8.841 22.169 0.000) 23.867 4.963 ( 3.778 25.532 0.000) 25.810 5.081 ( 3.888 15.659 0.000) 16.135 5.378 ( -4.886 24.441 0.000) 24.925 5.389 ( -7.681 15.869 0.000) 17.630 5.686 ( 9.375 19.460 0.000) 21.600 5.849 ( -8.807 8.426 0.000) 12.188 6.072 ( 6.205 -1.118 0.000) 6.305 6.197 ( 0.289 30.431 0.000) 30.432 6.209 ( 6.860 -2.852 0.000) 7.429 6.563 ( -0.805 0.076 0.000) 0.809 7.044 ( -2.782 5.078 0.000) 5.791 7.514 ( -9.805 -13.359 0.000) 16.571 7.618 ( 4.077 -6.845 0.000) 7.967 8.100 ( -10.668 -10.382 0.000) 14.885 8.106 ( 3.160 13.115 0.000) 13.490 8.527 ( -8.720 4.458 0.000) 9.793 8.613 ( 5.362 6.896 0.000) 8.735 8.767 ( -0.004 14.454 0.000) 14.454 8.929 ( 5.593 -2.691 0.000) 6.207 9.168 ( -0.408 -2.812 0.000) 2.842 9.188 ( 6.969 -2.938 0.000) 7.563 9.289 ( 0.581 -3.520 0.000) 3.568 9.468 ( -3.622 -6.363 0.000) 7.321 9.643 ( -6.966 -0.137 0.000) 6.967 9.645 ( 8.802 9.525 0.000) 12.970 9.839 ( 0.552 9.241 0.000) 9.257 10.153 ( 4.101 14.126 0.000) 14.710 10.225 ( -1.554 0.941 0.000) 1.817 10.492 ( 5.805 5.245 0.000) 7.823 10.811 ( 1.461 14.713 0.000) 14.785 10.989 ( -9.004 9.309 0.000) 12.951 11.114 ( -1.818 -3.461 0.000) 3.910 11.240 ( -3.979 13.032 0.000) 13.626 11.245 ( -0.119 -0.404 0.000) 0.421 11.476 ( 0.899 0.372 0.000) 0.973 11.607 ( -2.254 -7.390 0.000) 7.726 12.072 ( 4.065 -5.493 0.000) 6.833 12.158 ( -0.412 -5.623 0.000) 5.638 12.501 ( 12.738 1.587 0.000) 12.836 12.767 ( 3.179 3.264 0.000) 4.557 13.117 ( 4.621 7.094 0.000) 8.466 13.496 ( -4.374 1.297 0.000) 4.562 13.629 ( -8.330 3.642 0.000) 9.091 13.919 ( -11.154 -3.664 0.000) 11.740 14.274 ( 6.190 -7.960 0.000) 10.083 14.377 ( -3.195 -3.043 0.000) 4.413 14.862 ( -0.096 -6.580 0.000) 6.581 14.974 ( -9.017 -3.223 0.000) 9.575 15.305 ( 5.740 -2.217 0.000) 6.153 15.489 ( 8.198 11.203 0.000) 13.882 15.650 ( -7.848 4.955 0.000) 9.282 15.879 ( 9.687 9.421 0.000) 13.513 15.977 ( 3.451 8.051 0.000) 8.759 16.692 ( 0.846 12.189 0.000) 12.219 16.731 ( -15.445 9.616 0.000) 18.194 17.342 ( 9.166 -3.770 0.000) 9.911 17.361 ( 8.132 -4.755 0.000) 9.421 18.067 ( -27.416 1.397 0.000) 27.451 20.876 ( 2.546 -5.475 0.000) 6.038 20.910 ( 2.945 -6.952 0.000) 7.550 21.140 ( -4.363 -6.244 0.000) 7.617 21.187 ( -3.840 -7.468 0.000) 8.397 26.624 ( 27.432 -8.086 0.000) 28.599 26.724 ( 10.795 -3.176 0.000) 11.253 27.607 ( -14.507 -16.191 0.000) 21.739 27.904 ( -4.121 -25.706 0.000) 26.034 29.587 ( -0.576 -1.202 0.000) 1.332 29.655 ( -1.587 -2.357 0.000) 2.841 30.711 ( 6.852 -16.655 0.000) 18.010 31.127 ( -3.258 -23.031 0.000) 23.260 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 1.163 1.741 0.000) 2.094 2.012 ( -2.378 0.308 0.000) 2.398 2.272 ( 14.306 9.327 0.000) 17.078 2.556 ( -9.239 5.922 0.000) 10.974 2.746 ( 14.422 18.677 0.000) 23.597 3.155 ( -23.136 15.552 0.000) 27.877 3.720 ( 3.495 16.155 0.000) 16.529 3.804 ( -6.015 14.059 0.000) 15.291 4.044 ( 0.034 5.224 0.000) 5.224 4.062 ( -0.818 3.190 0.000) 3.293 4.339 ( 4.961 21.978 0.000) 22.531 4.367 ( 1.489 7.023 0.000) 7.179 4.587 ( 8.648 21.813 0.000) 23.465 4.798 ( -12.275 32.246 0.000) 34.503 4.867 ( 20.067 37.237 0.000) 42.300 5.168 ( -5.949 35.064 0.000) 35.565 5.316 ( -1.394 20.849 0.000) 20.895 5.334 ( -1.548 10.435 0.000) 10.549 5.686 ( -0.368 12.551 0.000) 12.557 5.776 ( -2.350 13.982 0.000) 14.178 6.136 ( 3.712 16.643 0.000) 17.052 6.235 ( -4.162 2.050 0.000) 4.639 6.347 ( 12.309 -1.416 0.000) 12.390 6.538 ( -5.071 -4.809 0.000) 6.989 7.062 ( 7.071 4.203 0.000) 8.226 7.281 ( -13.218 -4.136 0.000) 13.850 7.727 ( 7.129 -3.564 0.000) 7.970 7.894 ( -10.003 -5.017 0.000) 11.190 8.195 ( 6.121 6.387 0.000) 8.847 8.343 ( -9.086 3.186 0.000) 9.628 8.700 ( 3.530 8.679 0.000) 9.369 8.751 ( -1.756 12.037 0.000) 12.165 9.108 ( 9.510 -0.694 0.000) 9.535 9.175 ( 0.607 -0.032 0.000) 0.608 9.276 ( 4.406 0.746 0.000) 4.469 9.314 ( 2.256 -6.590 0.000) 6.965 9.384 ( -4.633 -9.629 0.000) 10.686 9.454 ( -11.723 -1.215 0.000) 11.786 9.803 ( 5.610 5.753 0.000) 8.036 9.849 ( -0.015 6.812 0.000) 6.812 10.223 ( 1.132 7.919 0.000) 8.000 10.224 ( 2.076 13.137 0.000) 13.300 10.626 ( 7.457 6.874 0.000) 10.142 10.785 ( -9.917 10.254 0.000) 14.265 10.865 ( 4.964 8.211 0.000) 9.595 11.007 ( -8.363 -1.316 0.000) 8.466 11.220 ( 0.909 10.333 0.000) 10.373 11.237 ( -0.671 4.486 0.000) 4.536 11.506 ( 2.208 -3.706 0.000) 4.314 11.556 ( -2.787 -6.647 0.000) 7.208 12.147 ( 2.777 -5.275 0.000) 5.962 12.166 ( 0.416 -4.757 0.000) 4.775 12.734 ( 9.656 2.231 0.000) 9.910 12.822 ( 0.718 3.643 0.000) 3.714 13.225 ( 6.395 5.524 0.000) 8.450 13.370 ( -8.261 2.715 0.000) 8.696 13.535 ( 1.043 -0.140 0.000) 1.053 13.675 ( -12.034 -3.871 0.000) 12.641 14.341 ( 0.103 -3.009 0.000) 3.010 14.351 ( 0.874 -6.012 0.000) 6.075 14.849 ( -1.160 -8.004 0.000) 8.088 14.851 ( -2.785 -5.946 0.000) 6.566 15.412 ( 5.495 0.923 0.000) 5.572 15.520 ( -5.870 3.523 0.000) 6.846 15.680 ( 10.996 8.411 0.000) 13.844 15.890 ( -9.472 5.220 0.000) 10.816 16.129 ( 14.118 11.246 0.000) 18.049 16.422 ( -15.908 10.296 0.000) 18.949 16.898 ( 19.879 16.742 0.000) 25.989 17.354 ( -19.093 7.332 0.000) 20.452 17.494 ( 5.606 -5.323 0.000) 7.730 17.581 ( -9.783 0.339 0.000) 9.789 20.948 ( 4.668 -5.269 0.000) 7.039 20.986 ( 4.829 -7.145 0.000) 8.624 21.045 ( -5.140 -5.776 0.000) 7.732 21.090 ( -5.646 -6.995 0.000) 8.990 26.962 ( 15.748 -6.486 0.000) 17.031 27.235 ( 29.460 -21.395 0.000) 36.409 27.290 ( -17.473 -11.144 0.000) 20.724 27.697 ( -17.549 -26.365 0.000) 31.671 29.588 ( 0.858 -1.003 0.000) 1.320 29.618 ( -2.005 -1.588 0.000) 2.557 30.872 ( 8.909 -19.366 0.000) 21.317 31.029 ( -6.839 -21.835 0.000) 22.881 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 0.000 -2.748 0.000) 2.748 2.069 ( 0.000 -2.119 0.000) 2.119 2.231 ( 0.000 17.527 0.000) 17.527 2.789 ( 0.000 -7.411 0.000) 7.411 3.010 ( 0.000 35.696 0.000) 35.696 3.858 ( 0.000 14.590 0.000) 14.590 4.020 ( 0.000 10.075 0.000) 10.075 4.228 ( 0.000 6.349 0.000) 6.349 4.237 ( 0.000 1.980 0.000) 1.980 4.302 ( 0.000 -0.661 0.000) 0.661 4.453 ( 0.000 7.708 0.000) 7.708 4.491 ( 0.000 11.685 0.000) 11.685 4.691 ( 0.000 -7.061 0.000) 7.061 4.777 ( 0.000 12.628 0.000) 12.628 5.222 ( 0.000 43.185 0.000) 43.185 5.406 ( 0.000 3.556 0.000) 3.556 5.885 ( 0.000 5.455 0.000) 5.455 5.973 ( 0.000 5.563 0.000) 5.563 5.986 ( 0.000 25.400 0.000) 25.400 6.022 ( 0.000 6.044 0.000) 6.044 6.105 ( 0.000 19.349 0.000) 19.349 6.177 ( 0.000 23.401 0.000) 23.401 6.565 ( 0.000 -2.748 0.000) 2.748 6.934 ( 0.000 31.551 0.000) 31.551 7.244 ( 0.000 -16.760 0.000) 16.760 7.277 ( 0.000 10.576 0.000) 10.576 7.485 ( 0.000 3.768 0.000) 3.768 7.898 ( 0.000 -15.206 0.000) 15.206 8.410 ( 0.000 16.053 0.000) 16.053 8.598 ( 0.000 -3.094 0.000) 3.094 8.762 ( 0.000 7.743 0.000) 7.743 8.904 ( 0.000 4.006 0.000) 4.006 8.959 ( 0.000 -4.670 0.000) 4.670 9.046 ( 0.000 9.920 0.000) 9.920 9.101 ( 0.000 -1.090 0.000) 1.090 9.226 ( 0.000 -1.728 0.000) 1.728 9.313 ( 0.000 -8.832 0.000) 8.832 9.727 ( 0.000 1.426 0.000) 1.426 9.820 ( 0.000 3.657 0.000) 3.657 9.936 ( 0.000 -0.088 0.000) 0.088 10.292 ( 0.000 8.084 0.000) 8.084 10.363 ( 0.000 10.283 0.000) 10.283 10.510 ( 0.000 4.357 0.000) 4.357 10.990 ( 0.000 -3.508 0.000) 3.508 11.147 ( 0.000 16.540 0.000) 16.540 11.193 ( 0.000 -2.592 0.000) 2.592 11.380 ( 0.000 -5.664 0.000) 5.664 11.419 ( 0.000 12.445 0.000) 12.445 11.490 ( 0.000 -0.112 0.000) 0.112 11.653 ( 0.000 13.392 0.000) 13.392 11.943 ( 0.000 -2.942 0.000) 2.942 11.959 ( 0.000 -10.498 0.000) 10.498 12.468 ( 0.000 6.960 0.000) 6.960 12.828 ( 0.000 6.336 0.000) 6.336 13.217 ( 0.000 6.412 0.000) 6.412 13.624 ( 0.000 3.189 0.000) 3.189 13.741 ( 0.000 0.058 0.000) 0.058 13.978 ( 0.000 -3.043 0.000) 3.043 14.033 ( 0.000 -7.978 0.000) 7.978 14.288 ( 0.000 -8.938 0.000) 8.938 14.850 ( 0.000 4.748 0.000) 4.748 15.008 ( 0.000 -6.464 0.000) 6.464 15.103 ( 0.000 -6.687 0.000) 6.687 15.695 ( 0.000 15.471 0.000) 15.471 15.766 ( 0.000 -0.297 0.000) 0.297 15.992 ( 0.000 6.524 0.000) 6.524 16.122 ( 0.000 12.787 0.000) 12.787 16.912 ( 0.000 9.770 0.000) 9.770 17.067 ( 0.000 -8.209 0.000) 8.209 17.185 ( 0.000 -1.177 0.000) 1.177 17.206 ( 0.000 13.912 0.000) 13.912 18.222 ( 0.000 -6.885 0.000) 6.885 20.738 ( 0.000 -5.133 0.000) 5.133 20.755 ( 0.000 -5.578 0.000) 5.578 21.047 ( 0.000 -7.052 0.000) 7.052 21.064 ( 0.000 -7.765 0.000) 7.765 26.346 ( 0.000 2.074 0.000) 2.074 26.597 ( 0.000 -1.444 0.000) 1.444 27.382 ( 0.000 -19.479 0.000) 19.479 27.443 ( 0.000 -21.468 0.000) 21.468 29.579 ( 0.000 -0.078 0.000) 0.078 29.622 ( 0.000 -2.002 0.000) 2.002 30.338 ( 0.000 -13.944 0.000) 13.944 30.690 ( 0.000 -22.119 0.000) 22.119 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -1.032 -0.573 0.000) 1.180 2.053 ( -1.416 -0.857 0.000) 1.655 2.296 ( 6.103 13.389 0.000) 14.714 2.733 ( -5.256 -4.754 0.000) 7.087 3.044 ( 3.588 30.645 0.000) 30.855 3.805 ( -21.566 5.290 0.000) 22.205 3.902 ( 4.167 12.824 0.000) 13.484 4.075 ( 0.297 3.950 0.000) 3.961 4.197 ( -3.605 9.005 0.000) 9.700 4.329 ( -6.564 12.076 0.000) 13.745 4.416 ( 3.651 5.334 0.000) 6.464 4.623 ( 2.903 8.003 0.000) 8.513 4.754 ( 3.334 12.255 0.000) 12.701 5.021 ( 24.414 -7.846 0.000) 25.644 5.326 ( 9.067 36.823 0.000) 37.923 5.383 ( -3.505 3.036 0.000) 4.637 5.875 ( -6.832 27.171 0.000) 28.017 5.903 ( 0.609 21.257 0.000) 21.266 5.984 ( -1.061 -1.820 0.000) 2.106 6.031 ( 4.570 9.783 0.000) 10.798 6.073 ( -2.523 14.441 0.000) 14.659 6.264 ( 4.158 14.912 0.000) 15.481 6.533 ( -3.030 -3.260 0.000) 4.451 6.874 ( -7.270 30.359 0.000) 31.217 7.227 ( -0.541 -13.769 0.000) 13.780 7.259 ( -0.782 13.661 0.000) 13.684 7.551 ( 5.591 2.344 0.000) 6.063 7.857 ( -3.736 -10.494 0.000) 11.139 8.390 ( -1.665 14.254 0.000) 14.351 8.601 ( -5.445 1.540 0.000) 5.659 8.712 ( 2.600 2.748 0.000) 3.783 8.947 ( 6.188 4.365 0.000) 7.573 9.038 ( -2.149 12.141 0.000) 12.330 9.076 ( -0.745 -5.087 0.000) 5.141 9.078 ( 7.723 -4.911 0.000) 9.152 9.230 ( 0.233 -1.622 0.000) 1.638 9.278 ( -3.380 -8.804 0.000) 9.431 9.648 ( -8.117 0.633 0.000) 8.141 9.809 ( -0.292 1.231 0.000) 1.265 9.917 ( -1.564 -0.646 0.000) 1.692 10.341 ( 4.799 10.456 0.000) 11.505 10.419 ( 4.829 10.946 0.000) 11.963 10.603 ( 8.503 5.509 0.000) 10.132 10.986 ( -0.738 -3.529 0.000) 3.605 11.077 ( -4.532 8.260 0.000) 9.422 11.260 ( -10.377 8.826 0.000) 13.623 11.264 ( 4.661 4.592 0.000) 6.543 11.421 ( -0.212 -2.494 0.000) 2.503 11.482 ( -0.712 0.365 0.000) 0.800 11.596 ( -4.751 13.923 0.000) 14.711 11.979 ( 3.354 -3.535 0.000) 4.873 12.004 ( 3.210 -8.057 0.000) 8.673 12.577 ( 10.245 5.333 0.000) 11.550 12.862 ( 3.186 6.042 0.000) 6.831 13.255 ( 3.625 6.084 0.000) 7.082 13.539 ( -6.346 2.563 0.000) 6.844 13.688 ( -6.222 2.213 0.000) 6.604 13.852 ( -11.152 -3.081 0.000) 11.570 14.093 ( 5.419 -9.666 0.000) 11.082 14.287 ( -0.924 -7.057 0.000) 7.117 14.801 ( -4.114 2.040 0.000) 4.591 14.885 ( -8.311 -5.000 0.000) 9.699 15.215 ( 7.722 -6.082 0.000) 9.830 15.684 ( -7.186 -0.196 0.000) 7.189 15.753 ( 5.497 14.006 0.000) 15.046 16.041 ( 3.474 6.110 0.000) 7.028 16.192 ( 5.807 11.560 0.000) 12.937 16.888 ( -12.700 3.386 0.000) 13.143 16.947 ( 6.201 12.229 0.000) 13.711 17.274 ( 7.114 -2.384 0.000) 7.503 17.320 ( 5.989 2.567 0.000) 6.516 18.048 ( -16.628 -2.355 0.000) 16.794 20.768 ( 2.951 -5.113 0.000) 5.904 20.779 ( 2.442 -5.740 0.000) 6.238 21.009 ( -3.522 -6.459 0.000) 7.357 21.033 ( -3.163 -7.450 0.000) 8.094 26.514 ( 15.825 -3.230 0.000) 16.151 26.663 ( 6.745 -2.905 0.000) 7.344 27.272 ( -9.403 -16.297 0.000) 18.816 27.411 ( -5.150 -22.250 0.000) 22.838 29.575 ( -0.263 0.035 0.000) 0.266 29.612 ( -0.898 -1.655 0.000) 1.883 30.384 ( 4.473 -15.136 0.000) 15.783 30.667 ( -2.436 -21.669 0.000) 21.805 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 0.013 1.196 0.000) 1.196 2.025 ( -1.261 1.060 0.000) 1.648 2.442 ( 8.445 6.254 0.000) 10.509 2.603 ( -7.865 -0.547 0.000) 7.884 3.164 ( 9.413 21.466 0.000) 23.439 3.420 ( -17.006 11.099 0.000) 20.307 3.999 ( 5.506 9.106 0.000) 10.641 4.096 ( -2.445 1.461 0.000) 2.849 4.130 ( 0.800 17.584 0.000) 17.602 4.211 ( -5.539 14.033 0.000) 15.087 4.485 ( 3.765 5.755 0.000) 6.877 4.566 ( -4.569 7.980 0.000) 9.196 4.961 ( 13.750 7.263 0.000) 15.550 5.221 ( -11.804 4.023 0.000) 12.471 5.431 ( 13.377 0.014 0.000) 13.377 5.491 ( 5.473 20.439 0.000) 21.159 5.839 ( 3.615 18.446 0.000) 18.796 5.910 ( 0.796 35.135 0.000) 35.144 5.953 ( -2.318 24.420 0.000) 24.529 5.964 ( -6.483 4.846 0.000) 8.094 6.183 ( 7.917 2.000 0.000) 8.166 6.292 ( -1.881 3.990 0.000) 4.412 6.492 ( 1.607 0.129 0.000) 1.612 6.657 ( -13.079 14.836 0.000) 19.778 7.244 ( 1.576 2.631 0.000) 3.067 7.259 ( 0.154 13.280 0.000) 13.281 7.666 ( 5.837 0.599 0.000) 5.868 7.771 ( -5.015 -3.312 0.000) 6.010 8.376 ( 1.152 10.454 0.000) 10.517 8.454 ( -6.780 7.007 0.000) 9.750 8.828 ( 6.805 2.747 0.000) 7.339 8.951 ( -5.806 6.503 0.000) 8.718 9.104 ( 2.872 -4.372 0.000) 5.231 9.116 ( 8.349 2.493 0.000) 8.713 9.191 ( 0.243 -7.044 0.000) 7.048 9.220 ( 3.564 -5.340 0.000) 6.420 9.225 ( -1.056 -1.570 0.000) 1.892 9.431 ( -13.340 -0.851 0.000) 13.367 9.833 ( 2.562 -1.580 0.000) 3.010 9.883 ( -2.160 -1.720 0.000) 2.761 10.449 ( 5.254 11.470 0.000) 12.616 10.494 ( 1.396 11.592 0.000) 11.676 10.801 ( 11.420 8.836 0.000) 14.439 10.963 ( -0.790 -1.730 0.000) 1.901 10.995 ( -3.522 4.369 0.000) 5.612 11.034 ( -12.102 11.901 0.000) 16.973 11.357 ( 4.845 3.316 0.000) 5.872 11.418 ( -0.553 -6.189 0.000) 6.213 11.467 ( -0.527 3.593 0.000) 3.632 11.498 ( -4.556 14.755 0.000) 15.442 12.043 ( 2.359 -4.702 0.000) 5.261 12.052 ( 1.344 -5.924 0.000) 6.074 12.798 ( 10.574 3.995 0.000) 11.304 12.910 ( -0.217 4.961 0.000) 4.966 13.340 ( 4.788 5.422 0.000) 7.233 13.432 ( -4.574 3.618 0.000) 5.832 13.558 ( -4.042 1.516 0.000) 4.317 13.627 ( -9.964 -1.369 0.000) 10.057 14.196 ( 4.293 -9.277 0.000) 10.222 14.253 ( -2.172 -6.617 0.000) 6.964 14.731 ( -2.189 -2.092 0.000) 3.028 14.750 ( -4.521 -3.487 0.000) 5.709 15.374 ( 8.431 -4.024 0.000) 9.342 15.533 ( -8.040 -1.556 0.000) 8.189 15.882 ( 7.256 10.909 0.000) 13.101 16.014 ( -5.601 6.927 0.000) 8.908 16.374 ( 12.327 11.271 0.000) 16.703 16.630 ( -13.646 8.502 0.000) 16.078 17.182 ( 16.345 10.985 0.000) 19.693 17.377 ( -1.099 -0.469 0.000) 1.195 17.407 ( 6.612 -2.333 0.000) 7.011 17.660 ( -20.712 4.744 0.000) 21.248 20.840 ( 4.195 -5.252 0.000) 6.721 20.850 ( 4.854 -6.111 0.000) 7.805 20.927 ( -4.622 -5.751 0.000) 7.378 20.950 ( -5.110 -6.652 0.000) 8.388 26.824 ( 12.019 -7.047 0.000) 13.933 26.893 ( 18.716 -12.583 0.000) 22.553 27.058 ( -12.102 -11.367 0.000) 16.603 27.225 ( -14.014 -19.965 0.000) 24.393 29.575 ( 0.461 -0.127 0.000) 0.478 29.592 ( -1.105 -0.845 0.000) 1.391 30.490 ( 5.946 -17.737 0.000) 18.707 30.597 ( -4.754 -20.190 0.000) 20.742 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 0.000 3.149 0.000) 3.149 2.055 ( 0.000 1.016 0.000) 1.016 2.473 ( 0.000 6.026 0.000) 6.026 2.617 ( 0.000 -9.226 0.000) 9.226 3.684 ( 0.000 29.571 0.000) 29.571 4.023 ( 0.000 -12.797 0.000) 12.797 4.078 ( 0.000 -9.549 0.000) 9.549 4.154 ( 0.000 13.294 0.000) 13.294 4.355 ( 0.000 11.202 0.000) 11.202 4.499 ( 0.000 12.415 0.000) 12.415 4.619 ( 0.000 9.181 0.000) 9.181 4.668 ( 0.000 6.357 0.000) 6.357 4.709 ( 0.000 11.026 0.000) 11.026 5.005 ( 0.000 9.863 0.000) 9.863 5.370 ( 0.000 -4.940 0.000) 4.940 5.614 ( 0.000 2.350 0.000) 2.350 5.729 ( 0.000 -15.315 0.000) 15.315 6.120 ( 0.000 -12.472 0.000) 12.472 6.131 ( 0.000 5.280 0.000) 5.280 6.307 ( 0.000 -0.450 0.000) 0.450 6.563 ( 0.000 30.359 0.000) 30.359 6.654 ( 0.000 20.802 0.000) 20.802 6.665 ( 0.000 15.437 0.000) 15.437 7.004 ( 0.000 1.819 0.000) 1.819 7.488 ( 0.000 9.711 0.000) 9.711 7.516 ( 0.000 21.653 0.000) 21.653 7.671 ( 0.000 10.785 0.000) 10.785 7.677 ( 0.000 -5.508 0.000) 5.508 8.514 ( 0.000 -3.380 0.000) 3.380 8.706 ( 0.000 12.544 0.000) 12.544 8.808 ( 0.000 -5.282 0.000) 5.282 8.912 ( 0.000 1.232 0.000) 1.232 9.011 ( 0.000 -2.592 0.000) 2.592 9.030 ( 0.000 6.877 0.000) 6.877 9.237 ( 0.000 2.345 0.000) 2.345 9.238 ( 0.000 3.120 0.000) 3.120 9.309 ( 0.000 11.162 0.000) 11.162 9.719 ( 0.000 -9.923 0.000) 9.923 9.764 ( 0.000 1.933 0.000) 1.933 9.875 ( 0.000 -4.991 0.000) 4.991 10.525 ( 0.000 6.254 0.000) 6.254 10.532 ( 0.000 12.214 0.000) 12.214 10.603 ( 0.000 4.678 0.000) 4.678 10.927 ( 0.000 -2.853 0.000) 2.853 11.146 ( 0.000 -1.735 0.000) 1.735 11.229 ( 0.000 -7.183 0.000) 7.183 11.404 ( 0.000 3.477 0.000) 3.477 11.501 ( 0.000 6.159 0.000) 6.159 11.526 ( 0.000 -4.968 0.000) 4.968 11.871 ( 0.000 4.766 0.000) 4.766 11.899 ( 0.000 -1.656 0.000) 1.656 11.949 ( 0.000 12.841 0.000) 12.841 12.626 ( 0.000 8.810 0.000) 8.810 12.988 ( 0.000 9.238 0.000) 9.238 13.306 ( 0.000 1.702 0.000) 1.702 13.652 ( 0.000 -0.893 0.000) 0.893 13.741 ( 0.000 0.022 0.000) 0.022 13.883 ( 0.000 -6.292 0.000) 6.292 13.918 ( 0.000 -2.776 0.000) 2.776 14.079 ( 0.000 -10.433 0.000) 10.433 14.879 ( 0.000 -5.946 0.000) 5.946 14.954 ( 0.000 -7.448 0.000) 7.448 15.031 ( 0.000 11.947 0.000) 11.947 15.752 ( 0.000 -1.461 0.000) 1.461 16.003 ( 0.000 14.527 0.000) 14.527 16.111 ( 0.000 5.469 0.000) 5.469 16.311 ( 0.000 5.464 0.000) 5.464 16.893 ( 0.000 -8.861 0.000) 8.861 17.105 ( 0.000 8.581 0.000) 8.581 17.192 ( 0.000 1.949 0.000) 1.949 17.479 ( 0.000 12.534 0.000) 12.534 18.094 ( 0.000 -5.673 0.000) 5.673 20.648 ( 0.000 -3.618 0.000) 3.618 20.657 ( 0.000 -3.927 0.000) 3.927 20.913 ( 0.000 -5.903 0.000) 5.903 20.919 ( 0.000 -6.278 0.000) 6.278 26.391 ( 0.000 2.354 0.000) 2.354 26.566 ( 0.000 -1.630 0.000) 1.630 27.022 ( 0.000 -15.429 0.000) 15.429 27.053 ( 0.000 -16.499 0.000) 16.499 29.594 ( 0.000 1.642 0.000) 1.642 29.599 ( 0.000 -0.023 0.000) 0.023 30.081 ( 0.000 -11.199 0.000) 11.199 30.277 ( 0.000 -18.270 0.000) 18.270 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 0.475 3.334 0.000) 3.367 2.058 ( 0.259 1.592 0.000) 1.613 2.481 ( 0.770 4.145 0.000) 4.216 2.595 ( -2.139 -8.075 0.000) 8.353 3.649 ( -3.104 27.391 0.000) 27.567 3.795 ( -12.616 -3.716 0.000) 13.152 4.115 ( 0.040 -2.555 0.000) 2.555 4.146 ( -0.807 10.519 0.000) 10.550 4.444 ( 4.254 14.612 0.000) 15.219 4.559 ( 3.973 9.146 0.000) 9.972 4.594 ( -1.724 13.571 0.000) 13.680 4.766 ( 3.873 6.984 0.000) 7.986 4.860 ( 18.973 -4.386 0.000) 19.473 4.958 ( -3.422 9.493 0.000) 10.091 5.306 ( -5.257 -7.294 0.000) 8.991 5.645 ( 2.391 0.519 0.000) 2.446 5.809 ( 6.182 -12.409 0.000) 13.864 6.031 ( -9.275 -4.912 0.000) 10.496 6.106 ( 0.268 -9.753 0.000) 9.757 6.322 ( 1.451 5.160 0.000) 5.360 6.582 ( 2.057 32.006 0.000) 32.072 6.593 ( -3.565 18.439 0.000) 18.780 6.707 ( 1.541 18.704 0.000) 18.767 6.993 ( -5.748 -2.252 0.000) 6.173 7.409 ( -3.168 18.953 0.000) 19.216 7.503 ( 1.274 9.895 0.000) 9.977 7.705 ( 3.205 9.743 0.000) 10.256 7.762 ( 4.346 1.617 0.000) 4.637 8.583 ( 5.609 -1.698 0.000) 5.860 8.661 ( -4.089 11.834 0.000) 12.521 8.751 ( -3.758 0.036 0.000) 3.758 8.941 ( 4.870 -3.231 0.000) 5.845 8.988 ( -1.980 -3.198 0.000) 3.761 9.114 ( 3.557 1.753 0.000) 3.965 9.184 ( -1.766 3.964 0.000) 4.339 9.204 ( -4.133 3.256 0.000) 5.261 9.300 ( -0.691 9.366 0.000) 9.392 9.662 ( -9.334 0.457 0.000) 9.345 9.749 ( 2.475 -5.050 0.000) 5.624 9.872 ( -0.699 -2.494 0.000) 2.590 10.538 ( 2.180 7.370 0.000) 7.686 10.588 ( 5.193 5.915 0.000) 7.871 10.729 ( 10.200 6.530 0.000) 12.111 10.921 ( -0.583 -2.996 0.000) 3.053 11.129 ( -1.798 0.297 0.000) 1.822 11.218 ( -0.974 -6.222 0.000) 6.297 11.384 ( -1.791 2.001 0.000) 2.685 11.477 ( -4.876 0.786 0.000) 4.939 11.538 ( 3.735 6.917 0.000) 7.861 11.862 ( -1.930 6.835 0.000) 7.103 11.923 ( 2.103 -2.285 0.000) 3.105 11.929 ( -0.842 5.832 0.000) 5.892 12.711 ( 8.147 7.821 0.000) 11.293 13.009 ( 1.865 8.293 0.000) 8.500 13.343 ( 3.598 1.844 0.000) 4.043 13.591 ( -4.248 2.348 0.000) 4.854 13.719 ( -6.135 0.820 0.000) 6.190 13.795 ( -10.001 -2.272 0.000) 10.256 13.888 ( 3.377 -10.224 0.000) 10.768 14.098 ( 0.133 -10.263 0.000) 10.264 14.793 ( -5.142 -3.513 0.000) 6.227 14.941 ( -8.009 10.570 0.000) 13.262 15.074 ( 8.893 -7.441 0.000) 11.596 15.660 ( -8.324 -2.271 0.000) 8.628 16.036 ( 3.091 13.438 0.000) 13.789 16.155 ( 2.704 5.416 0.000) 6.053 16.374 ( 6.163 5.461 0.000) 8.234 16.844 ( -4.884 -6.078 0.000) 7.797 17.167 ( 7.091 9.025 0.000) 11.478 17.264 ( 6.335 1.563 0.000) 6.525 17.469 ( -1.126 10.097 0.000) 10.159 17.990 ( -10.233 -3.153 0.000) 10.708 20.674 ( 2.510 -3.932 0.000) 4.665 20.681 ( 2.370 -3.932 0.000) 4.591 20.885 ( -2.706 -5.512 0.000) 6.141 20.894 ( -2.526 -6.016 0.000) 6.525 26.477 ( 8.287 -0.664 0.000) 8.313 26.606 ( 4.011 -2.740 0.000) 4.857 26.966 ( -5.151 -13.296 0.000) 14.259 27.017 ( -4.175 -16.207 0.000) 16.736 29.591 ( -0.265 1.643 0.000) 1.665 29.596 ( -0.279 0.239 0.000) 0.367 30.106 ( 2.393 -12.133 0.000) 12.366 30.263 ( -1.419 -17.796 0.000) 17.852 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.535 3.436 0.000) 3.478 2.062 ( -0.012 2.763 0.000) 2.763 2.504 ( 1.650 -0.286 0.000) 1.675 2.546 ( -2.591 -4.870 0.000) 5.517 3.595 ( -1.504 20.330 0.000) 20.385 3.622 ( -4.907 9.133 0.000) 10.368 4.114 ( 0.274 0.362 0.000) 0.454 4.127 ( -0.954 4.950 0.000) 5.041 4.514 ( 3.000 19.020 0.000) 19.255 4.560 ( -1.894 17.584 0.000) 17.685 4.641 ( 5.119 10.350 0.000) 11.547 4.752 ( -5.360 10.969 0.000) 12.209 4.983 ( 6.299 -1.478 0.000) 6.470 5.109 ( -3.417 -10.236 0.000) 10.791 5.340 ( 16.530 -6.633 0.000) 17.811 5.629 ( -8.090 -3.735 0.000) 8.910 5.861 ( -4.240 -10.015 0.000) 10.875 5.863 ( -0.958 -9.482 0.000) 9.530 6.223 ( 11.187 -10.229 0.000) 15.158 6.347 ( -0.090 0.326 0.000) 0.339 6.540 ( -0.560 22.475 0.000) 22.482 6.618 ( -1.046 29.119 0.000) 29.138 6.712 ( -0.960 20.771 0.000) 20.793 6.752 ( -12.281 6.814 0.000) 14.045 7.459 ( 4.849 14.696 0.000) 15.475 7.516 ( -0.653 11.063 0.000) 11.082 7.773 ( 3.141 7.585 0.000) 8.210 7.805 ( 0.120 4.885 0.000) 4.887 8.588 ( -2.258 9.775 0.000) 10.032 8.596 ( -2.605 6.440 0.000) 6.947 8.819 ( 8.847 -2.227 0.000) 9.123 8.945 ( -3.058 -3.990 0.000) 5.027 9.042 ( 0.271 -4.836 0.000) 4.844 9.090 ( -6.239 1.104 0.000) 6.336 9.117 ( 7.058 -4.541 0.000) 8.393 9.260 ( -4.491 2.692 0.000) 5.236 9.281 ( 7.046 10.188 0.000) 12.387 9.451 ( -11.054 4.461 0.000) 11.921 9.800 ( 2.663 -1.039 0.000) 2.858 9.846 ( -1.949 -1.089 0.000) 2.233 10.605 ( 4.000 4.145 0.000) 5.760 10.655 ( 0.181 4.171 0.000) 4.175 10.921 ( 6.732 1.213 0.000) 6.841 10.928 ( 1.959 -1.897 0.000) 2.727 11.095 ( 0.230 6.660 0.000) 6.664 11.177 ( -4.305 0.810 0.000) 4.380 11.352 ( -0.958 -0.197 0.000) 0.978 11.375 ( -3.980 2.977 0.000) 4.971 11.638 ( 6.359 8.905 0.000) 10.943 11.769 ( -6.626 10.919 0.000) 12.772 11.948 ( 1.622 -3.601 0.000) 3.949 11.958 ( 0.910 -3.705 0.000) 3.815 12.900 ( 9.986 6.179 0.000) 11.743 13.025 ( -1.817 6.494 0.000) 6.744 13.428 ( 4.700 2.551 0.000) 5.348 13.510 ( -4.052 3.638 0.000) 5.446 13.579 ( -4.932 0.463 0.000) 4.954 13.608 ( -7.480 -0.305 0.000) 7.486 13.982 ( 5.130 -11.311 0.000) 12.420 14.066 ( -3.285 -10.921 0.000) 11.405 14.727 ( -0.725 1.472 0.000) 1.641 14.786 ( -6.555 6.821 0.000) 9.460 15.266 ( 10.596 -6.356 0.000) 12.356 15.472 ( -10.507 -4.349 0.000) 11.372 16.106 ( 3.654 10.820 0.000) 11.420 16.162 ( -1.799 7.472 0.000) 7.686 16.535 ( 9.577 3.793 0.000) 10.301 16.713 ( -8.367 -0.606 0.000) 8.388 17.333 ( 7.190 4.811 0.000) 8.651 17.429 ( -3.269 5.738 0.000) 6.604 17.438 ( 13.060 4.659 0.000) 13.866 17.731 ( -15.563 2.092 0.000) 15.703 20.738 ( 3.918 -4.473 0.000) 5.946 20.745 ( 4.074 -4.302 0.000) 5.925 20.817 ( -4.067 -4.886 0.000) 6.357 20.827 ( -4.125 -5.240 0.000) 6.669 26.674 ( 10.809 -6.745 0.000) 12.741 26.714 ( 7.206 -6.136 0.000) 9.465 26.842 ( -7.314 -9.511 0.000) 11.998 26.888 ( -8.911 -13.152 0.000) 15.887 29.587 ( -0.038 1.421 0.000) 1.421 29.590 ( -0.273 0.852 0.000) 0.894 30.163 ( 3.263 -14.253 0.000) 14.622 30.223 ( -2.686 -16.384 0.000) 16.603 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 0.000 4.773 0.000) 4.773 2.159 ( 0.000 8.066 0.000) 8.066 2.424 ( 0.000 -9.444 0.000) 9.444 2.485 ( 0.000 -4.202 0.000) 4.202 3.786 ( 0.000 -9.044 0.000) 9.044 3.833 ( 0.000 -11.018 0.000) 11.018 4.158 ( 0.000 16.073 0.000) 16.073 4.343 ( 0.000 4.635 0.000) 4.635 4.648 ( 0.000 16.093 0.000) 16.093 4.738 ( 0.000 11.019 0.000) 11.019 4.852 ( 0.000 13.296 0.000) 13.296 4.891 ( 0.000 12.796 0.000) 12.796 4.972 ( 0.000 13.643 0.000) 13.643 5.189 ( 0.000 9.841 0.000) 9.841 5.256 ( 0.000 -4.582 0.000) 4.582 5.389 ( 0.000 -17.727 0.000) 17.727 5.630 ( 0.000 1.352 0.000) 1.352 5.762 ( 0.000 -19.713 0.000) 19.713 5.963 ( 0.000 -17.549 0.000) 17.549 6.049 ( 0.000 -17.973 0.000) 17.973 6.956 ( 0.000 10.798 0.000) 10.798 6.975 ( 0.000 10.454 0.000) 10.454 7.149 ( 0.000 21.657 0.000) 21.657 7.202 ( 0.000 11.279 0.000) 11.279 7.664 ( 0.000 7.620 0.000) 7.620 7.667 ( 0.000 3.802 0.000) 3.802 7.810 ( 0.000 6.784 0.000) 6.784 7.818 ( 0.000 2.753 0.000) 2.753 8.486 ( 0.000 0.778 0.000) 0.778 8.673 ( 0.000 -6.960 0.000) 6.960 8.905 ( 0.000 6.834 0.000) 6.834 8.953 ( 0.000 4.066 0.000) 4.066 8.989 ( 0.000 0.154 0.000) 0.154 9.141 ( 0.000 2.594 0.000) 2.594 9.337 ( 0.000 5.042 0.000) 5.042 9.345 ( 0.000 6.940 0.000) 6.940 9.498 ( 0.000 6.323 0.000) 6.323 9.507 ( 0.000 -9.163 0.000) 9.163 9.765 ( 0.000 -4.720 0.000) 4.720 9.787 ( 0.000 -0.123 0.000) 0.123 10.641 ( 0.000 5.546 0.000) 5.546 10.695 ( 0.000 4.165 0.000) 4.165 10.722 ( 0.000 5.669 0.000) 5.669 10.861 ( 0.000 -4.057 0.000) 4.057 11.131 ( 0.000 -1.549 0.000) 1.549 11.141 ( 0.000 1.852 0.000) 1.852 11.346 ( 0.000 -8.532 0.000) 8.532 11.346 ( 0.000 -6.561 0.000) 6.561 11.681 ( 0.000 7.807 0.000) 7.807 11.863 ( 0.000 -2.138 0.000) 2.138 12.026 ( 0.000 7.599 0.000) 7.599 12.128 ( 0.000 4.408 0.000) 4.408 12.833 ( 0.000 11.452 0.000) 11.452 13.193 ( 0.000 10.661 0.000) 10.661 13.262 ( 0.000 -6.207 0.000) 6.207 13.575 ( 0.000 -6.528 0.000) 6.528 13.743 ( 0.000 0.231 0.000) 0.231 13.791 ( 0.000 -2.820 0.000) 2.820 13.870 ( 0.000 -1.756 0.000) 1.756 13.910 ( 0.000 -5.483 0.000) 5.483 14.782 ( 0.000 -3.259 0.000) 3.259 14.821 ( 0.000 -5.134 0.000) 5.134 15.294 ( 0.000 13.011 0.000) 13.011 15.689 ( 0.000 -5.194 0.000) 5.194 16.217 ( 0.000 4.871 0.000) 4.871 16.277 ( 0.000 12.349 0.000) 12.349 16.352 ( 0.000 -0.790 0.000) 0.790 16.707 ( 0.000 -9.390 0.000) 9.390 17.242 ( 0.000 4.671 0.000) 4.671 17.251 ( 0.000 3.131 0.000) 3.131 17.704 ( 0.000 9.514 0.000) 9.514 17.985 ( 0.000 -5.274 0.000) 5.274 20.593 ( 0.000 -1.820 0.000) 1.820 20.597 ( 0.000 -2.033 0.000) 2.033 20.816 ( 0.000 -3.411 0.000) 3.411 20.817 ( 0.000 -3.526 0.000) 3.526 26.440 ( 0.000 2.398 0.000) 2.398 26.530 ( 0.000 -1.929 0.000) 1.929 26.775 ( 0.000 -8.423 0.000) 8.423 26.789 ( 0.000 -9.135 0.000) 9.135 29.630 ( 0.000 3.339 0.000) 3.339 29.647 ( 0.000 3.561 0.000) 3.561 29.883 ( 0.000 -8.313 0.000) 8.313 29.956 ( 0.000 -13.147 0.000) 13.147 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 0.848 4.807 0.000) 4.881 2.159 ( -0.065 7.492 0.000) 7.493 2.420 ( -0.335 -8.782 0.000) 8.789 2.470 ( -1.413 -4.599 0.000) 4.811 3.733 ( -0.074 -1.100 0.000) 1.103 3.963 ( 7.558 -10.341 0.000) 12.809 4.103 ( -5.540 16.088 0.000) 17.015 4.304 ( -3.902 4.338 0.000) 5.835 4.692 ( 5.057 8.968 0.000) 10.295 4.817 ( 6.724 15.412 0.000) 16.815 4.835 ( -1.295 10.971 0.000) 11.047 4.910 ( 1.449 6.427 0.000) 6.588 4.974 ( -0.111 11.313 0.000) 11.313 5.169 ( -2.305 12.514 0.000) 12.725 5.171 ( -2.956 -2.906 0.000) 4.146 5.522 ( 8.223 -15.173 0.000) 17.258 5.613 ( -1.965 -1.426 0.000) 2.428 5.778 ( 2.347 -18.955 0.000) 19.100 5.793 ( -11.688 -15.338 0.000) 19.284 6.111 ( 1.033 -19.921 0.000) 19.948 6.936 ( -0.829 12.843 0.000) 12.870 7.008 ( 2.243 9.746 0.000) 10.001 7.122 ( -2.229 17.466 0.000) 17.607 7.153 ( -5.361 12.490 0.000) 13.592 7.673 ( 1.597 8.859 0.000) 9.002 7.677 ( 1.226 7.425 0.000) 7.526 7.836 ( 1.743 2.183 0.000) 2.794 7.847 ( 2.588 3.411 0.000) 4.281 8.572 ( 8.246 1.085 0.000) 8.317 8.707 ( 2.516 -3.635 0.000) 4.421 8.854 ( -4.751 6.923 0.000) 8.396 8.917 ( -0.451 1.296 0.000) 1.372 8.954 ( -3.239 -0.354 0.000) 3.258 9.077 ( -6.918 -3.430 0.000) 7.722 9.286 ( -6.008 5.014 0.000) 7.825 9.359 ( 6.284 9.383 0.000) 11.293 9.443 ( -6.609 2.233 0.000) 6.976 9.646 ( 8.855 -4.899 0.000) 10.120 9.683 ( -3.792 3.106 0.000) 4.902 9.836 ( 1.305 -1.508 0.000) 1.994 10.658 ( -0.783 5.220 0.000) 5.278 10.677 ( 2.744 3.506 0.000) 4.452 10.809 ( 5.009 0.328 0.000) 5.020 10.851 ( -0.717 -4.265 0.000) 4.325 11.147 ( 1.960 0.254 0.000) 1.976 11.166 ( 2.804 3.926 0.000) 4.825 11.357 ( 0.784 -3.312 0.000) 3.404 11.380 ( 2.688 -7.817 0.000) 8.266 11.694 ( 1.926 6.916 0.000) 7.179 11.875 ( 1.007 -2.618 0.000) 2.805 11.983 ( -3.874 6.462 0.000) 7.534 12.074 ( -5.301 4.167 0.000) 6.743 12.898 ( 6.371 10.539 0.000) 12.315 13.195 ( 0.115 9.881 0.000) 9.882 13.304 ( 4.089 -5.937 0.000) 7.209 13.596 ( 1.401 -5.253 0.000) 5.437 13.699 ( -7.704 -2.160 0.000) 8.001 13.739 ( -0.701 -1.669 0.000) 1.810 13.773 ( -7.425 0.341 0.000) 7.432 13.914 ( -1.476 -7.191 0.000) 7.341 14.758 ( -0.065 0.299 0.000) 0.306 14.925 ( 8.359 -6.913 0.000) 10.848 15.184 ( -9.996 12.394 0.000) 15.923 15.580 ( -9.930 -5.867 0.000) 11.533 16.263 ( 3.472 5.164 0.000) 6.222 16.291 ( 1.246 11.548 0.000) 11.615 16.414 ( 5.598 -0.999 0.000) 5.686 16.691 ( -1.731 -8.450 0.000) 8.625 17.302 ( 5.803 4.371 0.000) 7.265 17.325 ( 7.292 3.363 0.000) 8.030 17.669 ( -3.588 8.876 0.000) 9.574 17.920 ( -6.609 -3.967 0.000) 7.708 20.613 ( 2.060 -1.964 0.000) 2.847 20.618 ( 2.160 -2.165 0.000) 3.058 20.794 ( -2.202 -3.234 0.000) 3.913 20.797 ( -2.068 -3.376 0.000) 3.959 26.480 ( 3.960 0.879 0.000) 4.056 26.553 ( 2.307 -2.423 0.000) 3.345 26.750 ( -2.490 -7.517 0.000) 7.919 26.763 ( -2.654 -8.548 0.000) 8.951 29.631 ( 0.074 3.422 0.000) 3.423 29.644 ( -0.265 3.627 0.000) 3.637 29.892 ( 0.892 -8.907 0.000) 8.952 29.951 ( -0.529 -12.792 0.000) 12.803 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 0.933 5.165 0.000) 5.249 2.155 ( -0.385 6.204 0.000) 6.215 2.419 ( 0.403 -7.220 0.000) 7.231 2.439 ( -1.548 -5.655 0.000) 5.863 3.802 ( 6.692 8.700 0.000) 10.976 3.960 ( -8.666 14.661 0.000) 17.031 4.092 ( 6.026 -3.254 0.000) 6.849 4.206 ( -5.780 2.025 0.000) 6.124 4.798 ( 3.561 8.238 0.000) 8.974 4.819 ( -0.244 7.388 0.000) 7.392 4.914 ( 1.488 -3.435 0.000) 3.743 4.956 ( -1.937 4.386 0.000) 4.795 4.970 ( 6.923 16.340 0.000) 17.746 5.095 ( -5.364 17.295 0.000) 18.108 5.237 ( 9.801 -0.986 0.000) 9.850 5.479 ( -12.795 -8.684 0.000) 15.464 5.620 ( 1.912 -13.040 0.000) 13.179 5.644 ( -2.131 -9.591 0.000) 9.825 5.890 ( 8.826 -19.514 0.000) 21.417 6.054 ( -6.648 -21.263 0.000) 22.279 6.942 ( 1.837 15.185 0.000) 15.295 7.019 ( -6.130 14.499 0.000) 15.741 7.052 ( 2.155 10.862 0.000) 11.074 7.090 ( -1.887 14.183 0.000) 14.308 7.704 ( 1.251 7.598 0.000) 7.700 7.709 ( 1.087 9.247 0.000) 9.311 7.874 ( 1.696 1.275 0.000) 2.122 7.884 ( 0.879 1.460 0.000) 1.704 8.705 ( 1.790 4.140 0.000) 4.510 8.756 ( -4.384 6.446 0.000) 7.796 8.781 ( 7.510 -1.115 0.000) 7.592 8.883 ( -3.885 -1.897 0.000) 4.324 8.979 ( 3.368 -1.425 0.000) 3.658 9.036 ( 7.909 -3.437 0.000) 8.624 9.125 ( -9.859 2.500 0.000) 10.171 9.252 ( -11.932 -2.601 0.000) 12.213 9.503 ( 7.235 10.792 0.000) 12.993 9.616 ( -4.229 9.560 0.000) 10.453 9.780 ( 4.748 -1.815 0.000) 5.083 9.836 ( -1.281 -0.748 0.000) 1.483 10.667 ( 1.413 3.107 0.000) 3.413 10.697 ( -1.009 1.394 0.000) 1.721 10.857 ( 1.301 -5.121 0.000) 5.284 10.869 ( 0.869 -5.033 0.000) 5.107 11.207 ( 3.726 3.900 0.000) 5.394 11.236 ( 2.442 6.408 0.000) 6.858 11.365 ( 0.920 0.488 0.000) 1.041 11.405 ( -1.034 -1.877 0.000) 2.144 11.777 ( 6.716 4.690 0.000) 8.191 11.892 ( 0.694 -2.746 0.000) 2.833 11.908 ( -3.763 2.827 0.000) 4.706 11.941 ( -7.148 2.621 0.000) 7.613 13.053 ( 8.702 8.858 0.000) 12.417 13.178 ( -3.043 8.641 0.000) 9.161 13.406 ( 5.881 -5.046 0.000) 7.750 13.526 ( -7.427 -4.004 0.000) 8.438 13.601 ( -1.342 2.637 0.000) 2.959 13.634 ( -5.494 2.894 0.000) 6.210 13.769 ( 3.763 -8.396 0.000) 9.200 13.854 ( -4.317 -9.013 0.000) 9.993 14.806 ( 5.508 6.033 0.000) 8.169 14.969 ( -10.789 10.386 0.000) 14.976 15.120 ( 11.474 -7.849 0.000) 13.902 15.355 ( -12.447 -7.228 0.000) 14.393 16.311 ( 1.223 7.024 0.000) 7.130 16.314 ( 0.780 9.548 0.000) 9.580 16.535 ( 6.247 -2.947 0.000) 6.907 16.636 ( -4.031 -5.981 0.000) 7.212 17.436 ( 7.400 5.107 0.000) 8.991 17.516 ( 11.709 2.167 0.000) 11.908 17.571 ( -6.311 7.147 0.000) 9.534 17.744 ( -11.074 -0.894 0.000) 11.110 20.668 ( 3.420 -2.321 0.000) 4.133 20.674 ( 3.424 -2.540 0.000) 4.263 20.737 ( -3.495 -2.795 0.000) 4.476 20.742 ( -3.378 -3.004 0.000) 4.520 26.579 ( 5.749 -2.638 0.000) 6.325 26.613 ( 3.756 -3.827 0.000) 5.362 26.684 ( -4.539 -5.719 0.000) 7.301 26.691 ( -4.276 -6.253 0.000) 7.575 29.633 ( 0.183 3.593 0.000) 3.598 29.638 ( -0.294 3.686 0.000) 3.697 29.914 ( 1.221 -10.302 0.000) 10.374 29.936 ( -1.004 -11.771 0.000) 11.813 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 0.000 -7.898 0.000) 7.898 2.245 ( 0.000 7.898 0.000) 7.898 2.341 ( 0.000 -8.962 0.000) 8.962 2.341 ( 0.000 8.962 0.000) 8.962 3.700 ( 0.000 -1.211 0.000) 1.211 3.700 ( 0.000 1.211 0.000) 1.211 4.350 ( 0.000 -3.887 0.000) 3.887 4.350 ( 0.000 3.887 0.000) 3.887 4.911 ( 0.000 -1.272 0.000) 1.272 4.911 ( 0.000 1.272 0.000) 1.272 5.044 ( 0.000 -12.275 0.000) 12.275 5.044 ( 0.000 12.275 0.000) 12.275 5.070 ( 0.000 -5.094 0.000) 5.094 5.070 ( 0.000 5.094 0.000) 5.094 5.376 ( 0.000 -16.634 0.000) 16.634 5.376 ( 0.000 16.634 0.000) 16.634 5.534 ( 0.000 -22.201 0.000) 22.201 5.534 ( 0.000 22.201 0.000) 22.201 5.736 ( 0.000 -10.539 0.000) 10.539 5.736 ( 0.000 10.539 0.000) 10.539 7.075 ( 0.000 -0.632 0.000) 0.632 7.075 ( 0.000 0.633 0.000) 0.633 7.344 ( 0.000 -1.052 0.000) 1.052 7.344 ( 0.000 1.052 0.000) 1.052 7.792 ( 0.000 -4.509 0.000) 4.509 7.792 ( 0.000 4.509 0.000) 4.509 7.800 ( 0.000 -6.462 0.000) 6.462 7.800 ( 0.000 6.462 0.000) 6.462 8.547 ( 0.000 -5.008 0.000) 5.008 8.547 ( 0.000 5.008 0.000) 5.008 8.986 ( 0.000 -1.423 0.000) 1.423 8.986 ( 0.000 1.423 0.000) 1.423 9.081 ( 0.000 -7.139 0.000) 7.139 9.081 ( 0.000 7.139 0.000) 7.139 9.404 ( 0.000 -2.156 0.000) 2.156 9.404 ( 0.000 2.156 0.000) 2.156 9.491 ( 0.000 -6.160 0.000) 6.160 9.491 ( 0.000 6.160 0.000) 6.160 9.753 ( 0.000 -2.650 0.000) 2.650 9.753 ( 0.000 2.650 0.000) 2.650 10.758 ( 0.000 -5.798 0.000) 5.798 10.758 ( 0.000 5.798 0.000) 5.798 10.758 ( 0.000 -1.459 0.000) 1.459 10.758 ( 0.000 1.459 0.000) 1.459 11.179 ( 0.000 -5.908 0.000) 5.908 11.179 ( 0.000 5.908 0.000) 5.908 11.226 ( 0.000 -5.829 0.000) 5.829 11.226 ( 0.000 5.829 0.000) 5.829 11.801 ( 0.000 -4.230 0.000) 4.230 11.801 ( 0.000 4.230 0.000) 4.230 12.138 ( 0.000 -2.953 0.000) 2.953 12.138 ( 0.000 2.953 0.000) 2.953 13.073 ( 0.000 -11.471 0.000) 11.471 13.073 ( 0.000 11.472 0.000) 11.472 13.405 ( 0.000 -9.769 0.000) 9.769 13.405 ( 0.000 9.770 0.000) 9.770 13.755 ( 0.000 -1.016 0.000) 1.016 13.755 ( 0.000 1.016 0.000) 1.016 13.855 ( 0.000 -0.498 0.000) 0.498 13.855 ( 0.000 0.498 0.000) 0.498 14.757 ( 0.000 -0.998 0.000) 0.998 14.757 ( 0.000 0.998 0.000) 0.998 15.533 ( 0.000 -10.037 0.000) 10.037 15.533 ( 0.000 10.037 0.000) 10.037 16.304 ( 0.000 -3.557 0.000) 3.557 16.304 ( 0.000 3.557 0.000) 3.557 16.507 ( 0.000 -10.434 0.000) 10.434 16.507 ( 0.000 10.434 0.000) 10.434 17.289 ( 0.000 -0.064 0.000) 0.064 17.289 ( 0.000 0.064 0.000) 0.064 17.867 ( 0.000 -6.658 0.000) 6.658 17.867 ( 0.000 6.658 0.000) 6.658 20.575 ( 0.000 -0.088 0.000) 0.088 20.575 ( 0.000 0.088 0.000) 0.088 20.781 ( 0.000 -0.009 0.000) 0.009 20.781 ( 0.000 0.009 0.000) 0.009 26.487 ( 0.000 -2.229 0.000) 2.229 26.487 ( 0.000 2.229 0.000) 2.229 26.691 ( 0.000 -0.316 0.000) 0.316 26.691 ( 0.000 0.316 0.000) 0.316 29.741 ( 0.000 -5.753 0.000) 5.753 29.741 ( 0.000 5.753 0.000) 5.753 29.743 ( 0.000 -7.897 0.000) 7.897 29.743 ( 0.000 7.897 0.000) 7.897 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.251 ( 0.600 -7.565 0.000) 7.589 2.251 ( 0.600 7.565 0.000) 7.589 2.328 ( -1.233 -8.474 0.000) 8.563 2.328 ( -1.233 8.474 0.000) 8.563 3.782 ( 7.920 -6.131 0.000) 10.015 3.782 ( 7.920 6.131 0.000) 10.016 4.303 ( -4.747 -4.495 0.000) 6.538 4.303 ( -4.747 4.495 0.000) 6.538 4.859 ( -2.302 -7.345 0.000) 7.697 4.859 ( -2.302 7.345 0.000) 7.697 5.041 ( -3.066 -5.813 0.000) 6.572 5.041 ( -3.066 5.813 0.000) 6.572 5.150 ( 7.528 -13.836 0.000) 15.751 5.150 ( 7.528 13.836 0.000) 15.751 5.407 ( 3.312 -14.807 0.000) 15.173 5.407 ( 3.312 14.807 0.000) 15.173 5.475 ( -5.085 -14.533 0.000) 15.397 5.475 ( -5.085 14.533 0.000) 15.397 5.717 ( -2.405 -13.915 0.000) 14.121 5.717 ( -2.406 13.915 0.000) 14.121 7.088 ( 1.430 -1.925 0.000) 2.398 7.088 ( 1.430 1.925 0.000) 2.398 7.295 ( -4.379 -1.525 0.000) 4.637 7.295 ( -4.379 1.526 0.000) 4.637 7.803 ( 1.119 -4.614 0.000) 4.747 7.803 ( 1.119 4.614 0.000) 4.748 7.825 ( 1.897 -5.439 0.000) 5.760 7.825 ( 1.897 5.439 0.000) 5.760 8.627 ( 7.365 -3.830 0.000) 8.302 8.627 ( 7.365 3.830 0.000) 8.302 8.941 ( -4.244 -1.885 0.000) 4.644 8.941 ( -4.244 1.885 0.000) 4.644 8.986 ( -5.683 -4.792 0.000) 7.434 8.986 ( -5.683 4.793 0.000) 7.434 9.395 ( -8.809 -5.078 0.000) 10.168 9.395 ( -8.809 5.079 0.000) 10.168 9.530 ( 9.375 -7.047 0.000) 11.728 9.530 ( 9.375 7.047 0.000) 11.728 9.779 ( 1.483 -4.492 0.000) 4.731 9.779 ( 1.483 4.492 0.000) 4.731 10.756 ( -0.181 -4.520 0.000) 4.524 10.756 ( -0.181 4.520 0.000) 4.524 10.758 ( -0.033 -4.369 0.000) 4.369 10.758 ( -0.033 4.369 0.000) 4.369 11.224 ( 4.293 -6.562 0.000) 7.841 11.224 ( 4.293 6.562 0.000) 7.841 11.268 ( 3.897 -5.241 0.000) 6.531 11.268 ( 3.897 5.241 0.000) 6.531 11.807 ( 0.716 -4.291 0.000) 4.350 11.807 ( 0.716 4.291 0.000) 4.350 12.084 ( -5.278 -2.801 0.000) 5.975 12.084 ( -5.278 2.801 0.000) 5.975 13.123 ( 4.926 -10.880 0.000) 11.943 13.123 ( 4.926 10.880 0.000) 11.943 13.405 ( -0.215 -10.632 0.000) 10.634 13.405 ( -0.215 10.632 0.000) 10.634 13.713 ( -3.682 -1.464 0.000) 3.962 13.713 ( -3.682 1.465 0.000) 3.962 13.810 ( -4.255 -3.318 0.000) 5.396 13.810 ( -4.255 3.318 0.000) 5.396 14.807 ( 5.163 -4.388 0.000) 6.776 14.807 ( 5.163 4.388 0.000) 6.776 15.417 ( -10.619 -10.055 0.000) 14.624 15.417 ( -10.619 10.055 0.000) 14.624 16.358 ( 4.550 -3.985 0.000) 6.048 16.358 ( 4.550 3.985 0.000) 6.049 16.507 ( -0.197 -9.756 0.000) 9.758 16.507 ( -0.197 9.756 0.000) 9.758 17.355 ( 6.492 -0.670 0.000) 6.526 17.355 ( 6.492 0.670 0.000) 6.526 17.820 ( -4.753 -6.020 0.000) 7.670 17.820 ( -4.753 6.021 0.000) 7.670 20.595 ( 1.957 -0.142 0.000) 1.962 20.595 ( 1.957 0.142 0.000) 1.962 20.761 ( -1.970 -0.064 0.000) 1.972 20.761 ( -1.970 0.064 0.000) 1.972 26.509 ( 2.129 -1.846 0.000) 2.818 26.509 ( 2.129 1.846 0.000) 2.818 26.674 ( -1.778 -0.231 0.000) 1.793 26.674 ( -1.778 0.231 0.000) 1.793 29.741 ( 0.042 -6.033 0.000) 6.033 29.741 ( 0.042 6.033 0.000) 6.033 29.743 ( 0.005 -7.751 0.000) 7.751 29.743 ( 0.005 7.751 0.000) 7.751 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.269 ( 1.281 -7.130 0.000) 7.244 2.269 ( 1.281 7.130 0.000) 7.244 2.298 ( -1.669 -7.516 0.000) 7.699 2.298 ( -1.669 7.516 0.000) 7.699 3.974 ( 10.951 -7.818 0.000) 13.455 3.974 ( 10.951 7.818 0.000) 13.455 4.171 ( -8.819 -5.991 0.000) 10.662 4.171 ( -8.819 5.991 0.000) 10.662 4.863 ( 2.862 -0.634 0.000) 2.932 4.863 ( 2.863 0.634 0.000) 2.932 4.953 ( -5.536 -5.600 0.000) 7.874 4.953 ( -5.536 5.601 0.000) 7.875 5.278 ( 5.453 -8.423 0.000) 10.034 5.278 ( 5.453 8.423 0.000) 10.034 5.374 ( -4.951 -3.637 0.000) 6.143 5.374 ( -4.951 3.637 0.000) 6.143 5.506 ( 6.639 -13.771 0.000) 15.288 5.506 ( 6.639 13.771 0.000) 15.288 5.635 ( -5.945 -15.629 0.000) 16.722 5.635 ( -5.945 15.629 0.000) 16.722 7.131 ( 3.051 -3.030 0.000) 4.300 7.131 ( 3.051 3.030 0.000) 4.300 7.205 ( -4.458 -2.625 0.000) 5.173 7.205 ( -4.458 2.625 0.000) 5.174 7.831 ( 1.518 -4.757 0.000) 4.993 7.831 ( 1.518 4.757 0.000) 4.993 7.848 ( 0.112 -4.607 0.000) 4.609 7.848 ( 0.112 4.608 0.000) 4.609 8.761 ( 4.801 -1.457 0.000) 5.017 8.761 ( 4.801 1.457 0.000) 5.017 8.846 ( -4.908 -2.558 0.000) 5.535 8.846 ( -4.908 2.558 0.000) 5.535 8.982 ( 6.950 -1.627 0.000) 7.138 8.982 ( 6.950 1.627 0.000) 7.138 9.187 ( -11.902 -3.400 0.000) 12.378 9.187 ( -11.902 3.400 0.000) 12.378 9.692 ( 6.681 -7.138 0.000) 9.777 9.692 ( 6.681 7.138 0.000) 9.777 9.777 ( -2.080 -5.558 0.000) 5.935 9.777 ( -2.080 5.559 0.000) 5.935 10.753 ( -0.067 -4.339 0.000) 4.339 10.753 ( -0.067 4.339 0.000) 4.340 10.755 ( -0.259 -5.456 0.000) 5.462 10.755 ( -0.259 5.456 0.000) 5.463 11.315 ( 4.024 -5.826 0.000) 7.080 11.315 ( 4.024 5.826 0.000) 7.080 11.339 ( 2.038 -3.349 0.000) 3.920 11.339 ( 2.038 3.349 0.000) 3.920 11.843 ( 3.654 -2.325 0.000) 4.331 11.843 ( 3.654 2.325 0.000) 4.331 11.955 ( -7.230 -1.453 0.000) 7.374 11.955 ( -7.230 1.453 0.000) 7.374 13.247 ( 7.322 -9.572 0.000) 12.052 13.247 ( 7.322 9.573 0.000) 12.052 13.370 ( -4.305 -9.726 0.000) 10.637 13.370 ( -4.305 9.726 0.000) 10.637 13.661 ( -0.235 -3.273 0.000) 3.282 13.661 ( -0.235 3.273 0.000) 3.282 13.714 ( -4.843 -5.023 0.000) 6.977 13.714 ( -4.843 5.023 0.000) 6.977 14.955 ( 9.996 -8.124 0.000) 12.881 14.955 ( 9.996 8.124 0.000) 12.881 15.180 ( -12.759 -9.830 0.000) 16.106 15.180 ( -12.759 9.830 0.000) 16.106 16.443 ( 3.648 -5.762 0.000) 6.820 16.443 ( 3.648 5.762 0.000) 6.820 16.492 ( -1.508 -8.010 0.000) 8.151 16.492 ( -1.508 8.010 0.000) 8.151 17.515 ( 9.348 -2.232 0.000) 9.610 17.515 ( 9.348 2.232 0.000) 9.611 17.691 ( -8.312 -4.332 0.000) 9.373 17.691 ( -8.312 4.332 0.000) 9.373 20.646 ( 3.174 -0.181 0.000) 3.179 20.646 ( 3.174 0.181 0.000) 3.179 20.709 ( -3.182 -0.143 0.000) 3.185 20.709 ( -3.182 0.143 0.000) 3.185 26.563 ( 3.258 -0.982 0.000) 3.403 26.563 ( 3.258 0.982 0.000) 3.403 26.626 ( -3.041 -0.200 0.000) 3.048 26.626 ( -3.041 0.200 0.000) 3.048 29.742 ( 0.045 -6.674 0.000) 6.674 29.742 ( 0.045 6.674 0.000) 6.674 29.743 ( -0.016 -7.321 0.000) 7.321 29.743 ( -0.016 7.321 0.000) 7.321 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 0.000 0.000 30.142) 30.142 0.846 ( 0.000 0.000 36.228) 36.228 0.894 ( 0.000 0.000 43.433) 43.433 1.929 ( 0.000 0.000 -18.440) 18.440 2.253 ( 0.000 0.000 -20.991) 20.991 2.753 ( 0.000 0.000 5.587) 5.587 3.053 ( 0.000 0.000 1.712) 1.712 3.086 ( 0.000 0.000 34.612) 34.612 3.126 ( 0.000 0.000 -3.982) 3.982 3.312 ( 0.000 0.000 -2.985) 2.985 3.322 ( 0.000 0.000 12.778) 12.778 3.733 ( 0.000 0.000 -5.890) 5.890 4.000 ( 0.000 0.000 -6.796) 6.796 4.007 ( 0.000 0.000 2.178) 2.178 4.295 ( 0.000 0.000 11.455) 11.455 4.451 ( 0.000 0.000 3.583) 3.583 4.632 ( 0.000 0.000 -1.356) 1.356 4.783 ( 0.000 0.000 -15.300) 15.300 5.180 ( 0.000 0.000 -11.526) 11.526 5.278 ( 0.000 0.000 -14.798) 14.798 6.076 ( 0.000 0.000 -4.094) 4.094 6.236 ( 0.000 0.000 1.577) 1.577 6.863 ( 0.000 0.000 18.463) 18.463 6.953 ( 0.000 0.000 6.385) 6.385 7.205 ( 0.000 0.000 3.463) 3.463 7.307 ( 0.000 0.000 3.338) 3.338 7.324 ( 0.000 0.000 3.810) 3.810 7.601 ( 0.000 0.000 -6.331) 6.331 7.667 ( 0.000 0.000 -5.122) 5.122 8.060 ( 0.000 0.000 -11.064) 11.064 8.371 ( 0.000 0.000 -4.713) 4.713 8.503 ( 0.000 0.000 -6.049) 6.049 8.638 ( 0.000 0.000 5.779) 5.779 8.813 ( 0.000 0.000 4.887) 4.887 8.984 ( 0.000 0.000 -2.771) 2.771 9.103 ( 0.000 0.000 -2.246) 2.246 9.263 ( 0.000 0.000 4.117) 4.117 9.487 ( 0.000 0.000 -0.115) 0.115 9.495 ( 0.000 0.000 4.115) 4.115 9.762 ( 0.000 0.000 -0.491) 0.491 9.945 ( 0.000 0.000 -7.175) 7.175 10.135 ( 0.000 0.000 2.144) 2.144 10.193 ( 0.000 0.000 -0.477) 0.477 10.371 ( 0.000 0.000 12.469) 12.469 10.627 ( 0.000 0.000 -21.546) 21.546 11.207 ( 0.000 0.000 -8.340) 8.340 11.323 ( 0.000 0.000 2.809) 2.809 11.718 ( 0.000 0.000 6.244) 6.244 11.757 ( 0.000 0.000 1.231) 1.231 11.795 ( 0.000 0.000 -9.548) 9.548 11.834 ( 0.000 0.000 -0.512) 0.512 11.950 ( 0.000 0.000 2.444) 2.444 12.574 ( 0.000 0.000 22.195) 22.195 12.788 ( 0.000 0.000 -0.117) 0.117 12.790 ( 0.000 0.000 -0.134) 0.134 13.707 ( 0.000 0.000 -7.463) 7.463 13.763 ( 0.000 0.000 11.941) 11.941 14.194 ( 0.000 0.000 5.350) 5.350 14.493 ( 0.000 0.000 6.502) 6.502 14.808 ( 0.000 0.000 -17.459) 17.459 14.882 ( 0.000 0.000 -3.613) 3.613 15.030 ( 0.000 0.000 0.669) 0.669 15.089 ( 0.000 0.000 -0.671) 0.671 15.114 ( 0.000 0.000 0.467) 0.467 15.134 ( 0.000 0.000 -14.217) 14.217 15.151 ( 0.000 0.000 -0.371) 0.371 15.946 ( 0.000 0.000 12.862) 12.862 16.276 ( 0.000 0.000 6.557) 6.557 16.621 ( 0.000 0.000 -1.893) 1.893 16.926 ( 0.000 0.000 -9.378) 9.378 17.321 ( 0.000 0.000 2.636) 2.636 17.471 ( 0.000 0.000 0.224) 0.224 21.108 ( 0.000 0.000 0.835) 0.835 21.159 ( 0.000 0.000 -0.267) 0.267 21.434 ( 0.000 0.000 0.206) 0.206 21.498 ( 0.000 0.000 -1.155) 1.155 26.303 ( 0.000 0.000 3.983) 3.983 26.642 ( 0.000 0.000 -3.512) 3.512 28.606 ( 0.000 0.000 -5.247) 5.247 28.780 ( 0.000 0.000 -5.916) 5.916 30.017 ( 0.000 0.000 20.322) 20.322 31.176 ( 0.000 0.000 -9.343) 9.343 31.952 ( 0.000 0.000 1.311) 1.311 32.055 ( 0.000 0.000 -0.923) 0.923 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 20.924 0.000 9.514) 22.986 0.905 ( 24.525 0.000 19.471) 31.314 1.781 ( 49.338 0.000 18.228) 52.597 1.949 ( 4.900 0.000 -13.822) 14.665 2.233 ( -4.781 0.000 -16.175) 16.867 2.622 ( -9.094 0.000 4.110) 9.979 2.779 ( -15.444 0.000 31.517) 35.098 2.960 ( -10.499 0.000 -1.484) 10.603 3.087 ( -9.528 0.000 -14.771) 17.577 3.224 ( -5.491 0.000 21.106) 21.809 3.523 ( 13.070 0.000 6.896) 14.778 3.767 ( -3.585 0.000 2.665) 4.467 3.947 ( -1.769 0.000 1.817) 2.536 3.986 ( -1.937 0.000 -4.366) 4.776 4.332 ( 6.452 0.000 5.456) 8.450 4.473 ( 2.240 0.000 2.351) 3.247 4.623 ( -1.021 0.000 -1.308) 1.659 4.686 ( -8.903 0.000 -8.142) 12.065 5.157 ( -18.218 0.000 17.645) 25.363 5.312 ( 3.852 0.000 -10.949) 11.607 5.731 ( -11.847 0.000 9.623) 15.262 5.988 ( -2.035 0.000 -7.448) 7.721 6.780 ( -8.726 0.000 -0.281) 8.731 6.910 ( 3.506 0.000 23.197) 23.460 7.213 ( 0.828 0.000 3.454) 3.552 7.285 ( 0.716 0.000 -4.490) 4.547 7.295 ( -1.146 0.000 3.353) 3.543 7.607 ( 0.589 0.000 -6.242) 6.270 7.660 ( -0.660 0.000 -5.270) 5.311 7.929 ( -10.317 0.000 1.011) 10.366 8.276 ( -1.149 0.000 -8.273) 8.352 8.651 ( 1.335 0.000 5.706) 5.860 8.664 ( 7.917 0.000 -7.787) 11.105 8.793 ( -2.054 0.000 4.616) 5.052 9.003 ( 1.994 0.000 -1.826) 2.704 9.103 ( -0.100 0.000 -2.084) 2.087 9.284 ( 3.833 0.000 5.861) 7.003 9.556 ( 5.872 0.000 3.020) 6.603 9.685 ( -1.445 0.000 -0.031) 1.445 9.932 ( -1.616 0.000 -6.325) 6.528 10.099 ( -3.161 0.000 1.859) 3.667 10.157 ( 20.838 0.000 -19.577) 28.592 10.161 ( -2.961 0.000 -0.633) 3.028 10.354 ( -0.934 0.000 7.471) 7.529 10.635 ( 1.575 0.000 -12.966) 13.061 11.080 ( -9.984 0.000 -4.185) 10.826 11.413 ( 6.704 0.000 -1.301) 6.829 11.701 ( -1.060 0.000 -10.579) 10.632 11.771 ( 1.317 0.000 1.045) 1.681 11.833 ( -0.227 0.000 -0.339) 0.408 11.911 ( 4.050 0.000 2.149) 4.584 12.024 ( 1.934 0.000 7.607) 7.849 12.498 ( 6.993 0.000 3.416) 7.782 12.789 ( 0.026 0.000 -0.125) 0.127 12.790 ( 0.000 0.000 -0.136) 0.136 13.532 ( -18.184 0.000 2.682) 18.381 14.007 ( 13.638 0.000 -3.554) 14.094 14.170 ( 2.266 0.000 -1.198) 2.563 14.642 ( 7.682 0.000 0.681) 7.712 14.792 ( -0.944 0.000 -11.776) 11.814 14.999 ( 9.804 0.000 -7.709) 12.472 15.037 ( 0.725 0.000 0.648) 0.973 15.094 ( 0.250 0.000 -0.615) 0.664 15.107 ( -0.433 0.000 0.464) 0.635 15.147 ( -0.471 0.000 -0.402) 0.619 15.186 ( 5.310 0.000 -11.194) 12.390 15.819 ( -14.837 0.000 13.798) 20.261 16.104 ( -4.111 0.000 13.958) 14.551 16.382 ( -17.756 0.000 -1.625) 17.830 16.722 ( -15.327 0.000 10.185) 18.402 17.484 ( 12.539 0.000 0.465) 12.548 17.607 ( 10.209 0.000 0.150) 10.210 21.111 ( 0.793 0.000 1.352) 1.568 21.200 ( 3.805 0.000 -0.758) 3.880 21.394 ( -4.026 0.000 0.269) 4.035 21.454 ( -3.862 0.000 -0.958) 3.979 26.798 ( 15.483 0.000 -2.176) 15.636 27.192 ( 55.262 0.000 -44.300) 70.827 28.313 ( -20.835 0.000 -1.090) 20.864 28.826 ( -2.698 0.000 -16.334) 16.555 30.054 ( 3.849 0.000 23.473) 23.787 30.930 ( -30.609 0.000 19.350) 36.212 31.511 ( -2.241 0.000 15.975) 16.131 32.139 ( -5.496 0.000 -5.707) 7.923 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 29.370 0.000 -11.688) 31.610 1.431 ( 28.154 0.000 9.624) 29.753 1.800 ( -16.667 0.000 -15.923) 23.050 1.944 ( -23.427 0.000 0.969) 23.447 2.433 ( 7.468 0.000 14.271) 16.107 2.596 ( 5.679 0.000 -5.804) 8.120 2.713 ( -18.588 0.000 6.494) 19.690 2.759 ( -10.039 0.000 -4.693) 11.082 3.056 ( 39.950 0.000 14.696) 42.567 3.319 ( 20.358 0.000 12.380) 23.827 3.503 ( -17.619 0.000 8.804) 19.696 3.752 ( 10.172 0.000 3.808) 10.862 3.910 ( -6.080 0.000 0.160) 6.083 3.992 ( -11.929 0.000 -4.398) 12.714 4.292 ( -10.211 0.000 2.354) 10.478 4.413 ( -19.079 0.000 20.001) 27.641 4.531 ( 3.375 0.000 0.228) 3.383 4.589 ( -2.472 0.000 -0.947) 2.647 4.895 ( 7.629 0.000 10.804) 13.226 5.140 ( -13.776 0.000 4.894) 14.619 5.952 ( 23.366 0.000 -3.144) 23.577 6.224 ( 9.131 0.000 -13.006) 15.891 6.580 ( -4.805 0.000 -12.424) 13.321 6.851 ( -16.925 0.000 -8.725) 19.042 7.236 ( 1.465 0.000 3.427) 3.727 7.267 ( -1.656 0.000 3.388) 3.772 7.315 ( 12.045 0.000 8.434) 14.705 7.623 ( 0.984 0.000 -5.987) 6.068 7.643 ( -1.028 0.000 -5.619) 5.712 7.644 ( -18.365 0.000 10.867) 21.340 8.448 ( 14.639 0.000 -8.154) 16.757 8.680 ( -6.901 0.000 -9.214) 11.512 8.688 ( 2.446 0.000 5.397) 5.925 8.742 ( -2.952 0.000 4.852) 5.679 9.052 ( 2.666 0.000 -1.262) 2.950 9.092 ( -1.258 0.000 -1.644) 2.070 9.424 ( 10.035 0.000 8.048) 12.863 9.604 ( -7.127 0.000 5.985) 9.306 9.700 ( 8.454 0.000 0.881) 8.499 9.855 ( -6.688 0.000 -2.321) 7.080 10.059 ( 0.095 0.000 -0.402) 0.413 10.097 ( -3.173 0.000 -1.053) 3.343 10.314 ( 2.130 0.000 -4.602) 5.071 10.346 ( -0.968 0.000 -3.689) 3.814 10.709 ( 6.198 0.000 -4.400) 7.600 10.873 ( -10.422 0.000 -3.184) 10.897 11.543 ( 6.371 0.000 -3.046) 7.061 11.651 ( -4.440 0.000 -7.129) 8.399 11.800 ( 1.475 0.000 0.601) 1.593 11.823 ( -0.822 0.000 0.088) 0.827 11.967 ( 2.158 0.000 3.400) 4.027 11.997 ( -1.342 0.000 8.307) 8.415 12.789 ( 0.026 0.000 -0.136) 0.139 12.789 ( -0.010 0.000 -0.139) 0.139 12.804 ( 18.743 0.000 -10.196) 21.337 13.167 ( -18.950 0.000 -5.634) 19.770 14.117 ( 4.919 0.000 3.207) 5.872 14.219 ( -2.946 0.000 -1.015) 3.116 14.752 ( 4.808 0.000 -7.587) 8.982 14.800 ( 0.103 0.000 -9.627) 9.628 15.057 ( 1.213 0.000 0.568) 1.339 15.081 ( -1.220 0.000 0.368) 1.274 15.115 ( 0.919 0.000 -0.394) 1.000 15.133 ( -0.868 0.000 -0.448) 0.976 15.146 ( 5.983 0.000 -3.054) 6.717 15.250 ( -2.794 0.000 -1.159) 3.025 15.685 ( 6.331 0.000 3.505) 7.236 15.947 ( -16.291 0.000 -1.394) 16.350 16.237 ( 5.940 0.000 14.914) 16.053 16.436 ( -13.318 0.000 15.939) 20.771 17.693 ( 7.644 0.000 -1.277) 7.750 17.745 ( 2.633 0.000 -0.722) 2.731 21.161 ( 4.329 0.000 1.092) 4.465 21.255 ( -2.296 0.000 -1.193) 2.588 21.311 ( 0.139 0.000 1.120) 1.128 21.377 ( -4.033 0.000 -0.591) 4.076 27.196 ( 24.200 0.000 0.066) 24.200 27.648 ( -16.534 0.000 -6.348) 17.711 28.219 ( 22.114 0.000 -34.656) 41.110 28.634 ( -16.657 0.000 -28.698) 33.182 30.172 ( 8.787 0.000 29.247) 30.539 30.425 ( -18.656 0.000 34.168) 38.930 31.675 ( 13.373 0.000 1.211) 13.428 31.943 ( -13.193 0.000 -3.134) 13.560 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.000 22.022 15.029) 26.661 1.140 ( 0.000 22.288 32.723) 39.592 1.668 ( 0.000 56.723 19.098) 59.851 1.839 ( 0.000 -5.476 -20.607) 21.322 2.616 ( 0.000 29.462 -15.960) 33.507 2.971 ( 0.000 10.326 17.310) 20.156 3.098 ( 0.000 5.530 4.019) 6.836 3.102 ( 0.000 11.003 22.185) 24.763 3.287 ( 0.000 -0.124 0.286) 0.312 3.365 ( 0.000 17.702 -4.268) 18.209 3.482 ( 0.000 14.621 11.710) 18.732 3.710 ( 0.000 1.900 -10.448) 10.620 4.053 ( 0.000 4.652 1.093) 4.779 4.146 ( 0.000 -1.315 3.558) 3.793 4.233 ( 0.000 13.250 2.721) 13.526 4.608 ( 0.000 12.990 5.560) 14.129 4.798 ( 0.000 10.706 -9.907) 14.586 4.886 ( 0.000 14.752 -6.973) 16.317 5.123 ( 0.000 -8.088 18.937) 20.592 5.172 ( 0.000 0.398 -10.832) 10.840 5.601 ( 0.000 -12.380 -8.973) 15.290 6.216 ( 0.000 -1.624 1.589) 2.272 6.701 ( 0.000 -6.731 26.432) 27.276 6.854 ( 0.000 -7.790 4.113) 8.810 6.946 ( 0.000 -2.746 -1.225) 3.007 7.462 ( 0.000 12.991 2.693) 13.267 7.685 ( 0.000 3.366 -7.804) 8.499 7.830 ( 0.000 13.885 -6.041) 15.142 8.060 ( 0.000 0.947 -5.851) 5.927 8.314 ( 0.000 -2.779 -5.668) 6.313 8.319 ( 0.000 20.977 -21.172) 29.804 8.474 ( 0.000 -2.094 -8.629) 8.879 8.751 ( 0.000 10.843 6.467) 12.625 8.983 ( 0.000 14.706 5.006) 15.535 9.089 ( 0.000 9.661 -1.609) 9.794 9.198 ( 0.000 -2.550 4.708) 5.354 9.405 ( 0.000 18.921 -12.714) 22.796 9.408 ( 0.000 -6.620 0.406) 6.633 9.499 ( 0.000 0.225 4.224) 4.230 9.766 ( 0.000 0.487 -0.273) 0.559 9.891 ( 0.000 -4.519 -4.437) 6.333 10.174 ( 0.000 2.731 -1.444) 3.089 10.213 ( 0.000 1.594 -1.137) 1.958 10.426 ( 0.000 5.159 8.856) 10.249 10.639 ( 0.000 1.294 -22.468) 22.505 11.175 ( 0.000 -14.660 22.597) 26.935 11.189 ( 0.000 -1.869 -8.219) 8.429 11.364 ( 0.000 2.010 3.494) 4.031 11.685 ( 0.000 -8.640 0.763) 8.674 11.782 ( 0.000 -2.590 -7.114) 7.571 12.044 ( 0.000 4.669 -0.089) 4.670 12.244 ( 0.000 12.278 -13.271) 18.079 12.525 ( 0.000 -4.061 18.071) 18.522 12.766 ( 0.000 -0.771 -1.682) 1.851 12.791 ( 0.000 0.204 5.081) 5.085 13.553 ( 0.000 -6.278 3.469) 7.172 13.759 ( 0.000 -0.305 9.123) 9.128 14.186 ( 0.000 -0.709 5.891) 5.933 14.404 ( 0.000 -5.829 2.435) 6.317 14.632 ( 0.000 -6.296 -8.217) 10.352 14.884 ( 0.000 1.278 -5.941) 6.077 15.014 ( 0.000 -4.679 -7.361) 8.722 15.155 ( 0.000 4.946 -0.419) 4.964 15.180 ( 0.000 0.425 -7.097) 7.110 15.260 ( 0.000 10.003 0.702) 10.028 15.308 ( 0.000 13.500 -1.669) 13.603 15.954 ( 0.000 0.775 13.768) 13.790 16.522 ( 0.000 5.083 -4.343) 6.686 16.655 ( 0.000 3.596 -0.317) 3.610 17.312 ( 0.000 -0.943 2.427) 2.604 17.439 ( 0.000 -1.337 -1.431) 1.958 17.579 ( 0.000 39.051 -46.309) 60.576 21.071 ( 0.000 -3.446 0.736) 3.524 21.116 ( 0.000 -4.007 -0.137) 4.010 21.396 ( 0.000 -3.370 0.051) 3.371 21.461 ( 0.000 -3.564 -1.144) 3.743 26.306 ( 0.000 0.349 3.837) 3.853 26.635 ( 0.000 -0.665 -3.443) 3.507 28.480 ( 0.000 -11.495 -1.797) 11.634 28.654 ( 0.000 -11.944 -5.194) 13.025 29.960 ( 0.000 -5.266 19.402) 20.104 30.874 ( 0.000 -54.497 56.823) 78.732 31.087 ( 0.000 -8.444 -9.203) 12.490 31.912 ( 0.000 -13.478 -2.854) 13.777 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 19.795 18.849 2.679) 27.465 1.392 ( 18.684 30.044 18.100) 39.741 1.829 ( 3.255 -2.211 -15.327) 15.824 2.104 ( 33.275 27.754 11.124) 44.736 2.580 ( -6.937 28.052 -9.835) 30.524 2.788 ( -10.850 3.565 28.983) 31.152 2.903 ( -8.356 22.943 3.372) 24.649 3.125 ( -11.386 3.607 -6.938) 13.812 3.214 ( -8.571 22.199 -0.885) 23.813 3.218 ( 0.188 1.535 15.431) 15.508 3.685 ( 10.300 14.378 5.174) 18.428 3.769 ( 2.340 1.585 -3.065) 4.169 3.947 ( -3.164 2.371 5.013) 6.385 4.186 ( -3.053 15.566 -0.967) 15.892 4.281 ( 6.666 -1.084 0.814) 6.803 4.573 ( -3.437 9.028 2.909) 10.089 4.740 ( -2.757 7.494 -2.482) 8.362 4.845 ( -1.622 18.284 -1.641) 18.429 5.085 ( -7.645 -1.792 16.248) 18.046 5.325 ( 4.044 2.134 -9.382) 10.437 5.621 ( 2.439 -4.611 -2.865) 5.951 5.986 ( -3.402 0.812 -3.902) 5.240 6.712 ( -8.058 -5.570 -0.900) 9.837 6.824 ( 7.629 -6.235 23.378) 25.369 7.063 ( 1.060 -7.899 -10.373) 13.081 7.469 ( -0.283 11.647 0.676) 11.670 7.743 ( 3.252 8.900 -5.663) 11.039 7.811 ( -10.480 16.061 -5.703) 20.008 7.859 ( -14.487 10.353 -6.378) 18.914 7.904 ( -11.231 14.082 4.311) 18.521 8.268 ( -0.974 1.224 -6.925) 7.099 8.595 ( 6.270 -4.596 -7.128) 10.548 8.774 ( 2.198 10.654 5.395) 12.143 8.938 ( -3.592 12.629 4.664) 13.933 9.127 ( 3.121 11.387 -0.883) 11.840 9.227 ( 4.146 -4.714 6.266) 8.870 9.262 ( -0.734 12.426 -2.132) 12.629 9.550 ( 5.233 -0.227 3.329) 6.206 9.672 ( -1.001 -1.215 -1.025) 1.878 9.884 ( -0.985 -4.068 -4.282) 5.988 9.955 ( 8.912 -7.906 -2.281) 12.130 10.153 ( -3.397 -0.092 -1.032) 3.551 10.256 ( 7.191 3.525 -13.771) 15.931 10.416 ( -0.513 5.719 5.001) 7.615 10.660 ( 2.385 2.333 -14.725) 15.098 11.044 ( -8.685 -3.750 1.803) 9.630 11.315 ( 7.654 -13.816 8.301) 17.843 11.430 ( 5.933 -1.377 0.369) 6.102 11.665 ( -2.492 -9.499 2.683) 10.180 11.737 ( -3.475 -1.983 -8.069) 9.007 12.061 ( 2.676 6.362 0.891) 6.959 12.351 ( -3.404 13.593 2.626) 14.257 12.440 ( 7.701 -4.736 -2.341) 9.339 12.759 ( -0.507 -1.978 -1.062) 2.302 12.818 ( 2.504 2.603 1.319) 3.846 13.534 ( -15.992 -0.609 -3.207) 16.322 13.792 ( 15.668 -12.086 12.427) 23.366 14.119 ( -3.893 -2.451 3.895) 6.028 14.521 ( 3.593 -8.640 0.214) 9.360 14.635 ( 0.750 -6.022 -2.327) 6.500 14.898 ( 3.114 -2.527 -7.222) 8.260 15.042 ( 1.316 -3.477 -3.762) 5.289 15.156 ( 0.035 3.849 -2.552) 4.618 15.194 ( 1.563 1.533 -7.032) 7.365 15.262 ( 1.662 10.040 1.054) 10.231 15.366 ( 5.551 15.784 -2.896) 16.981 16.008 ( 4.805 3.114 12.050) 13.341 16.284 ( -19.672 9.273 -4.358) 22.180 16.464 ( -15.387 6.116 -0.489) 16.566 17.087 ( -32.544 33.141 -7.951) 47.124 17.467 ( 11.894 -1.612 0.605) 12.018 17.587 ( 9.489 -1.476 -0.242) 9.606 21.078 ( 1.169 -3.151 1.182) 3.562 21.158 ( 3.684 -4.056 -0.662) 5.519 21.353 ( -3.936 -3.672 0.393) 5.397 21.416 ( -4.111 -3.558 -0.946) 5.518 26.784 ( 14.804 -1.384 -2.165) 15.025 27.028 ( 51.829 -13.239 -28.114) 60.431 28.204 ( -20.581 -9.859 1.738) 22.887 28.688 ( -3.252 -13.144 -13.791) 19.327 29.987 ( 2.825 -6.043 22.284) 23.261 30.559 ( -19.681 -28.065 41.143) 53.551 31.282 ( 12.255 -14.608 1.959) 19.168 31.911 ( -2.585 -16.664 -4.167) 17.370 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 23.982 9.642 -9.814) 27.648 1.778 ( 2.129 11.437 -4.958) 12.646 1.814 ( 10.311 19.087 0.796) 21.709 2.249 ( -21.173 24.769 1.524) 32.621 2.445 ( 4.622 3.323 14.859) 15.912 2.711 ( -17.658 2.307 7.133) 19.183 2.900 ( 3.228 22.824 -3.265) 23.281 3.014 ( -2.900 21.481 -4.390) 22.116 3.167 ( 23.321 11.422 4.637) 26.378 3.422 ( 25.336 12.073 13.186) 31.009 3.540 ( -15.399 5.915 6.083) 17.581 3.899 ( 3.297 6.814 0.351) 7.578 4.007 ( 1.729 10.890 0.692) 11.048 4.118 ( -7.513 14.784 0.177) 16.584 4.265 ( -5.579 0.451 1.693) 5.848 4.394 ( -16.661 0.982 18.089) 24.612 4.760 ( 1.641 16.457 -0.885) 16.562 4.794 ( -4.002 19.167 0.086) 19.580 4.922 ( 4.755 4.662 9.689) 11.757 5.133 ( -13.113 0.247 3.655) 13.616 5.928 ( 23.053 -1.627 -3.397) 23.359 6.196 ( 8.000 -2.148 -11.484) 14.159 6.520 ( -4.067 -4.909 -11.487) 13.137 6.777 ( -16.633 -5.838 -9.336) 19.947 7.161 ( 14.208 -6.498 5.698) 16.630 7.454 ( -9.301 8.262 -1.479) 12.528 7.496 ( -4.412 9.333 4.893) 11.424 7.595 ( -9.795 9.890 5.838) 15.094 7.826 ( 1.492 14.938 -4.694) 15.729 7.863 ( -1.961 16.252 -0.597) 16.381 8.401 ( 12.510 -3.354 -7.660) 15.047 8.603 ( -5.915 -5.405 -7.671) 11.092 8.815 ( 2.034 10.860 5.133) 12.183 8.868 ( -3.352 11.453 5.216) 13.023 9.192 ( 3.210 12.390 -1.075) 12.844 9.239 ( -1.495 12.342 -1.578) 12.532 9.389 ( 10.786 -2.902 7.425) 13.412 9.580 ( -7.345 -2.231 5.359) 9.362 9.685 ( 7.179 -1.350 1.803) 7.524 9.820 ( -5.822 -3.260 -0.946) 6.739 10.012 ( 1.926 -3.295 0.309) 3.829 10.072 ( -4.097 -1.351 -0.488) 4.342 10.354 ( 2.898 2.489 -10.629) 11.294 10.402 ( -1.695 4.986 -4.167) 6.715 10.733 ( 5.092 2.458 -4.553) 7.259 10.866 ( -8.702 -0.407 -0.734) 8.743 11.452 ( 6.338 -12.799 5.204) 15.201 11.539 ( 1.250 -11.444 2.948) 11.884 11.602 ( -0.344 -4.120 -2.925) 5.065 11.672 ( -3.691 -3.528 -6.679) 8.407 12.140 ( 4.830 8.288 2.592) 9.936 12.234 ( -5.108 10.293 6.216) 13.065 12.658 ( 8.059 -5.941 -8.508) 13.139 12.739 ( -1.824 -3.670 -2.927) 5.036 12.927 ( 10.328 5.974 -3.225) 12.360 13.204 ( -16.769 2.994 -4.775) 17.691 14.030 ( 6.765 -11.855 8.615) 16.141 14.080 ( -0.482 -7.841 3.798) 8.726 14.529 ( 1.202 -10.282 -1.752) 10.499 14.602 ( -4.571 -8.909 1.722) 10.160 14.992 ( 4.693 -4.404 -4.840) 8.052 15.046 ( -0.975 -3.262 -4.064) 5.301 15.166 ( 0.954 3.953 -3.082) 5.103 15.189 ( -1.267 3.875 -3.579) 5.425 15.383 ( 9.059 10.481 -2.156) 14.020 15.478 ( 2.829 17.315 -4.296) 18.063 15.953 ( -9.171 9.961 -3.023) 13.873 16.011 ( -8.511 10.306 -2.922) 13.682 16.313 ( 6.161 8.080 13.579) 16.959 16.582 ( -19.694 16.653 13.529) 29.124 17.667 ( 7.322 -2.565 -1.159) 7.844 17.717 ( 2.453 -2.693 -0.623) 3.695 21.132 ( 4.412 -2.724 0.970) 5.275 21.220 ( -0.698 -3.381 -1.227) 3.664 21.268 ( -1.129 -3.960 1.186) 4.285 21.332 ( -4.290 -4.143 -0.519) 5.987 27.164 ( 23.194 -3.017 -0.032) 23.389 27.589 ( -12.545 -5.848 -7.446) 15.717 28.036 ( 21.588 -16.476 -24.468) 36.554 28.481 ( -17.951 -14.584 -24.412) 33.628 30.074 ( 6.438 -8.310 27.727) 29.653 30.249 ( -12.145 -13.801 33.958) 38.615 31.534 ( 13.533 -12.834 -1.168) 18.687 31.777 ( -10.681 -14.767 -3.782) 18.613 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 0.000 28.387 6.583) 29.141 1.701 ( 0.000 25.386 12.209) 28.169 1.752 ( 0.000 3.119 -10.393) 10.851 2.797 ( 0.000 44.793 5.248) 45.099 2.919 ( 0.000 -5.369 32.811) 33.247 3.256 ( 0.000 -0.667 -2.313) 2.407 3.290 ( 0.000 31.884 -10.466) 33.557 3.342 ( 0.000 24.165 14.531) 28.198 3.619 ( 0.000 6.301 -10.000) 11.819 3.654 ( 0.000 31.387 4.307) 31.682 3.840 ( 0.000 18.324 6.817) 19.551 3.972 ( 0.000 13.750 -4.221) 14.383 4.170 ( 0.000 13.123 4.077) 13.742 4.202 ( 0.000 10.259 -0.741) 10.286 4.616 ( 0.000 16.333 -4.583) 16.963 4.904 ( 0.000 13.928 10.291) 17.318 5.016 ( 0.000 13.550 -11.385) 17.698 5.139 ( 0.000 12.456 18.700) 22.468 5.208 ( 0.000 9.583 -9.475) 13.476 5.431 ( 0.000 29.730 -4.478) 30.066 5.481 ( 0.000 -1.801 -19.249) 19.333 6.194 ( 0.000 0.365 2.621) 2.646 6.551 ( 0.000 -8.250 23.902) 25.285 6.691 ( 0.000 -7.551 1.634) 7.725 6.938 ( 0.000 2.212 -2.487) 3.329 7.635 ( 0.000 -7.414 -10.558) 12.901 7.763 ( 0.000 15.719 2.298) 15.886 7.890 ( 0.000 -10.684 -4.423) 11.563 8.213 ( 0.000 13.382 -5.456) 14.452 8.377 ( 0.000 -8.702 -11.732) 14.607 8.425 ( 0.000 13.254 -3.892) 13.814 8.487 ( 0.000 3.249 -5.603) 6.477 9.039 ( 0.000 13.407 7.223) 15.229 9.143 ( 0.000 -2.239 5.969) 6.375 9.231 ( 0.000 -1.723 3.053) 3.506 9.314 ( 0.000 7.785 6.431) 10.098 9.319 ( 0.000 10.057 3.091) 10.521 9.567 ( 0.000 9.369 1.557) 9.498 9.658 ( 0.000 4.650 -4.747) 6.645 9.759 ( 0.000 -4.897 1.401) 5.094 9.834 ( 0.000 4.264 -3.445) 5.482 10.240 ( 0.000 0.741 -1.881) 2.022 10.256 ( 0.000 6.660 -5.128) 8.405 10.562 ( 0.000 8.249 4.388) 9.343 10.688 ( 0.000 3.810 -24.612) 24.905 11.069 ( 0.000 2.529 15.372) 15.579 11.127 ( 0.000 -4.186 -7.010) 8.165 11.426 ( 0.000 3.297 1.889) 3.799 11.534 ( 0.000 -5.352 3.418) 6.351 11.707 ( 0.000 -4.773 -5.055) 6.952 12.089 ( 0.000 -0.495 -1.310) 1.401 12.303 ( 0.000 -4.207 -6.247) 7.532 12.455 ( 0.000 -1.612 13.377) 13.474 12.800 ( 0.000 0.926 10.470) 10.511 12.811 ( 0.000 5.130 -7.228) 8.863 13.510 ( 0.000 0.873 1.691) 1.903 13.752 ( 0.000 -0.404 4.643) 4.660 14.166 ( 0.000 -1.234 7.080) 7.186 14.286 ( 0.000 -5.302 -1.609) 5.540 14.542 ( 0.000 -3.201 -0.612) 3.259 14.889 ( 0.000 -7.554 -8.929) 11.695 14.952 ( 0.000 5.096 -10.215) 11.415 15.152 ( 0.000 -2.681 -4.742) 5.447 15.243 ( 0.000 3.029 -1.672) 3.460 15.518 ( 0.000 14.475 1.350) 14.538 15.593 ( 0.000 13.767 -1.003) 13.804 15.977 ( 0.000 1.658 15.622) 15.710 16.584 ( 0.000 3.019 -3.768) 4.828 16.779 ( 0.000 8.749 3.710) 9.502 17.283 ( 0.000 -1.874 1.933) 2.693 17.364 ( 0.000 -4.865 0.868) 4.942 18.062 ( 0.000 10.693 -34.748) 36.356 20.977 ( 0.000 -5.603 0.512) 5.627 21.010 ( 0.000 -6.156 -0.180) 6.159 21.305 ( 0.000 -5.440 -0.460) 5.460 21.359 ( 0.000 -6.277 -1.062) 6.366 26.318 ( 0.000 0.783 3.439) 3.528 26.617 ( 0.000 -1.026 -3.241) 3.400 28.179 ( 0.000 -17.434 0.267) 17.436 28.322 ( 0.000 -19.858 -3.564) 20.175 29.829 ( 0.000 -6.746 16.590) 17.909 30.198 ( 0.000 -18.588 37.654) 41.992 30.855 ( 0.000 -13.674 -8.737) 16.227 31.546 ( 0.000 -21.423 -6.142) 22.287 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 10.553 24.131 0.311) 26.339 1.786 ( 4.969 -0.288 -12.036) 13.025 1.938 ( 19.844 26.058 15.942) 36.427 2.657 ( -11.861 8.707 19.651) 24.549 3.049 ( 11.868 22.330 11.846) 27.925 3.116 ( -13.488 3.714 2.997) 14.307 3.187 ( -13.076 27.622 -0.348) 30.563 3.449 ( 6.720 25.797 9.805) 28.404 3.506 ( 1.560 28.913 -8.278) 30.115 3.681 ( -3.812 18.708 -3.422) 19.397 3.823 ( 4.266 5.580 -4.000) 8.083 4.064 ( -7.100 14.710 4.949) 17.067 4.125 ( 7.882 19.239 -0.533) 20.798 4.277 ( 5.099 7.379 3.109) 9.493 4.602 ( -2.507 20.499 0.014) 20.652 4.862 ( -6.223 15.787 9.551) 19.473 4.898 ( -1.193 12.215 -0.807) 12.299 5.156 ( -1.354 7.562 0.684) 7.713 5.309 ( 2.996 20.585 -1.628) 20.865 5.479 ( 3.092 17.823 -6.312) 19.159 5.605 ( 9.694 4.111 -9.423) 14.131 6.037 ( -5.359 4.507 0.520) 7.021 6.594 ( -8.392 -5.398 -0.569) 9.994 6.677 ( 9.872 -7.785 21.370) 24.794 6.930 ( -3.363 -4.403 -11.705) 12.950 7.638 ( 1.271 0.997 -2.944) 3.358 7.728 ( -14.640 -9.070 -2.079) 17.346 7.881 ( 9.958 7.930 -1.689) 12.841 8.097 ( -10.863 6.965 -4.833) 13.779 8.284 ( -7.286 12.503 -5.697) 15.552 8.401 ( -2.396 9.325 -5.861) 11.271 8.516 ( 4.106 0.210 -5.710) 7.036 9.037 ( 1.344 7.928 6.213) 10.162 9.139 ( 4.791 2.203 7.194) 8.920 9.209 ( -3.357 10.880 6.463) 13.093 9.371 ( 3.187 7.224 3.254) 8.540 9.447 ( 6.002 3.677 0.104) 7.040 9.588 ( 1.481 5.736 1.107) 6.026 9.663 ( -0.784 2.163 -0.538) 2.363 9.774 ( 0.787 -7.096 2.319) 7.506 9.884 ( 5.465 3.857 -3.278) 7.449 10.184 ( -4.406 3.153 -1.558) 5.638 10.299 ( 3.616 2.704 -10.640) 11.558 10.564 ( -0.050 8.518 0.234) 8.521 10.715 ( 2.619 3.278 -17.337) 17.837 11.014 ( -5.104 3.419 10.393) 12.073 11.148 ( 2.230 -5.389 -1.148) 5.944 11.412 ( -2.117 -1.372 2.849) 3.805 11.529 ( 0.300 -2.856 2.779) 3.996 11.677 ( -2.551 -3.939 -5.492) 7.224 12.128 ( 3.819 -0.182 -0.683) 3.883 12.300 ( 0.035 -7.443 1.915) 7.686 12.506 ( 4.625 2.508 1.038) 5.363 12.766 ( -1.826 3.002 -0.862) 3.617 12.890 ( 6.027 4.567 -0.179) 7.564 13.490 ( -7.045 -2.281 -4.846) 8.850 13.691 ( 0.775 -0.315 13.586) 13.612 14.062 ( -7.391 -3.111 6.034) 10.035 14.368 ( 2.410 -5.573 -2.983) 6.765 14.543 ( 0.906 -3.998 4.544) 6.119 14.857 ( -1.620 -3.296 -11.710) 12.272 14.962 ( 0.071 -3.444 -3.421) 4.855 15.194 ( 3.777 1.180 -9.572) 10.358 15.253 ( 0.871 2.733 -2.903) 4.081 15.517 ( 0.508 14.125 3.695) 14.609 15.665 ( 7.819 12.909 -2.063) 15.233 16.047 ( 3.771 2.009 13.456) 14.118 16.435 ( -10.319 7.634 -3.902) 13.416 16.600 ( -13.457 8.492 4.227) 16.464 17.413 ( 9.576 -2.860 -0.796) 10.026 17.466 ( 2.451 -1.457 -0.167) 2.856 17.708 ( -25.311 15.121 -16.967) 34.017 20.992 ( 1.901 -5.116 0.758) 5.510 21.047 ( 3.353 -6.489 -0.438) 7.318 21.258 ( -4.128 -5.473 0.182) 6.858 21.317 ( -4.135 -6.059 -0.936) 7.395 26.740 ( 17.208 -4.001 -2.819) 17.891 26.777 ( 34.019 -8.898 -8.143) 36.094 27.950 ( -18.098 -14.598 2.561) 23.392 28.324 ( -4.912 -21.636 -8.742) 23.847 29.843 ( 1.594 -7.122 18.513) 19.900 30.117 ( -6.638 -14.841 32.041) 35.929 30.976 ( 10.649 -15.975 -5.555) 19.987 31.517 ( -3.369 -21.764 -6.179) 22.874 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 13.070 13.294 -5.991) 19.581 1.854 ( -2.319 5.565 -5.136) 7.920 2.373 ( 23.474 23.174 9.028) 34.199 2.519 ( 2.944 6.583 18.395) 19.758 2.775 ( -19.214 4.091 12.204) 23.127 2.819 ( -21.878 24.994 6.564) 33.859 3.289 ( 11.054 14.530 -4.867) 18.894 3.482 ( -8.788 16.053 -6.416) 19.393 3.574 ( 8.719 29.592 -4.887) 31.234 3.739 ( -1.132 22.298 -1.657) 22.388 3.929 ( 4.307 14.742 -7.141) 16.938 3.971 ( 5.729 11.093 3.816) 13.055 4.221 ( 7.628 11.989 5.137) 15.110 4.424 ( 7.435 18.006 10.715) 22.233 4.539 ( -3.684 21.447 6.410) 22.686 4.597 ( -20.801 21.497 10.665) 31.758 4.984 ( 8.535 10.804 3.281) 14.155 5.157 ( -1.716 7.406 0.655) 7.630 5.282 ( -7.187 22.617 0.299) 23.733 5.288 ( -7.570 24.276 -1.897) 25.499 5.930 ( 19.845 3.332 -2.142) 20.236 6.161 ( 5.366 -0.417 -7.295) 9.065 6.423 ( -2.960 -3.853 -8.480) 9.773 6.643 ( -14.692 -6.818 -8.508) 18.295 7.033 ( 16.223 -5.471 3.836) 17.546 7.388 ( -19.084 -6.288 0.922) 20.114 7.702 ( 5.459 6.593 2.095) 8.812 7.858 ( -10.927 8.018 0.650) 13.569 8.078 ( 8.604 6.206 -3.480) 11.165 8.197 ( -4.166 12.566 -3.137) 13.605 8.410 ( 3.944 6.341 -8.399) 11.238 8.511 ( -4.331 -0.376 -6.589) 7.894 9.081 ( 2.751 11.894 6.087) 13.641 9.140 ( -3.274 12.651 6.593) 14.637 9.320 ( 11.903 -0.751 7.294) 13.980 9.434 ( 3.208 5.473 1.273) 6.471 9.483 ( -1.277 5.091 -0.491) 5.271 9.532 ( -7.677 -0.096 4.633) 8.967 9.688 ( 3.301 4.617 2.946) 6.395 9.751 ( -2.798 -1.485 2.558) 4.072 9.992 ( 4.972 2.862 -2.167) 6.133 10.087 ( -5.148 3.499 -1.725) 6.459 10.392 ( 6.031 2.288 -13.162) 14.658 10.517 ( -5.545 5.834 -9.146) 12.183 10.796 ( 5.471 3.629 -3.314) 7.354 10.904 ( -5.660 5.390 4.607) 9.072 11.220 ( 5.180 -7.797 3.294) 9.924 11.332 ( -5.671 -7.242 5.014) 10.476 11.563 ( 2.827 -1.181 -1.771) 3.539 11.622 ( -3.058 -2.560 -4.657) 6.131 12.219 ( 4.889 -1.041 1.405) 5.192 12.289 ( -1.918 -4.509 4.152) 6.422 12.612 ( 5.857 1.791 -6.902) 9.227 12.712 ( -4.072 2.225 -5.952) 7.546 13.044 ( 9.897 5.628 -2.326) 11.621 13.267 ( -12.738 2.913 -4.391) 13.785 13.795 ( 6.764 -8.545 13.777) 17.567 13.922 ( -6.742 -7.554 8.904) 13.483 14.395 ( 3.055 -3.517 -1.275) 4.830 14.499 ( -5.992 -3.040 3.228) 7.454 14.886 ( 4.040 -6.229 -6.617) 9.945 14.949 ( -1.805 -6.192 -3.816) 7.494 15.246 ( 1.449 3.723 -8.713) 9.585 15.263 ( -0.243 2.847 -7.416) 7.947 15.613 ( 9.823 11.819 4.746) 16.084 15.800 ( -1.688 14.489 0.790) 14.608 16.005 ( 1.347 1.234 1.668) 2.473 16.223 ( -14.547 8.024 -4.226) 17.143 16.581 ( 14.931 16.778 8.314) 23.949 17.016 ( -28.441 20.865 0.489) 35.277 17.593 ( 6.506 -4.570 -0.852) 7.997 17.642 ( 1.514 -4.408 -0.483) 4.686 21.055 ( 4.569 -4.644 0.650) 6.547 21.121 ( 3.145 -6.187 -0.884) 6.997 21.167 ( -4.152 -5.617 0.875) 7.040 21.222 ( -5.024 -6.308 -0.473) 8.078 27.078 ( 20.347 -5.333 -0.280) 21.036 27.408 ( 4.699 -12.090 -10.574) 16.735 27.654 ( 7.309 -18.410 -4.636) 20.343 28.086 ( -19.594 -22.685 -14.738) 33.403 29.895 ( 3.826 -8.239 22.063) 23.859 29.990 ( -5.959 -10.517 25.984) 28.658 31.203 ( 11.813 -18.682 -4.595) 22.577 31.403 ( -8.387 -20.931 -5.620) 23.239 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 0.000 1.131 -11.351) 11.407 1.891 ( 0.000 26.932 6.546) 27.716 2.391 ( 0.000 33.443 13.511) 36.069 2.796 ( 0.000 -5.573 33.520) 33.980 3.086 ( 0.000 -3.223 15.118) 15.458 3.410 ( 0.000 13.136 -10.646) 16.909 3.761 ( 0.000 8.509 -13.760) 16.179 3.837 ( 0.000 21.256 -6.543) 22.240 4.083 ( 0.000 5.744 -0.706) 5.787 4.116 ( 0.000 9.770 -5.174) 11.056 4.203 ( 0.000 17.643 2.541) 17.825 4.257 ( 0.000 49.457 11.966) 50.884 4.474 ( 0.000 15.381 -0.855) 15.405 4.510 ( 0.000 9.707 2.743) 10.087 4.785 ( 0.000 4.040 -2.203) 4.601 5.221 ( 0.000 17.339 12.689) 21.486 5.390 ( 0.000 23.556 -5.862) 24.275 5.509 ( 0.000 10.511 -13.161) 16.843 5.524 ( 0.000 21.961 -5.246) 22.579 5.626 ( 0.000 26.020 4.479) 26.403 5.996 ( 0.000 16.284 -8.993) 18.602 6.298 ( 0.000 12.925 2.298) 13.127 6.380 ( 0.000 -7.741 21.196) 22.565 6.596 ( 0.000 1.909 2.038) 2.792 7.045 ( 0.000 8.135 -3.535) 8.870 7.459 ( 0.000 -8.064 -8.661) 11.834 7.582 ( 0.000 -17.864 -3.293) 18.165 8.074 ( 0.000 8.157 -2.349) 8.489 8.130 ( 0.000 -7.459 -6.494) 9.889 8.452 ( 0.000 9.435 -6.583) 11.505 8.580 ( 0.000 6.209 -2.599) 6.731 8.700 ( 0.000 11.003 -5.911) 12.490 9.029 ( 0.000 -4.439 6.986) 8.278 9.085 ( 0.000 -3.843 5.364) 6.599 9.256 ( 0.000 -0.511 6.854) 6.873 9.410 ( 0.000 -0.698 8.817) 8.844 9.589 ( 0.000 -9.936 3.724) 10.611 9.605 ( 0.000 18.030 6.677) 19.226 9.689 ( 0.000 0.688 -0.343) 0.769 9.802 ( 0.000 9.100 -2.808) 9.524 10.050 ( 0.000 13.652 -3.247) 14.033 10.244 ( 0.000 0.323 -0.669) 0.743 10.420 ( 0.000 7.985 -2.537) 8.379 10.779 ( 0.000 13.094 -1.078) 13.139 10.805 ( 0.000 7.382 -24.693) 25.773 11.032 ( 0.000 -4.565 -4.671) 6.531 11.213 ( 0.000 10.512 7.180) 12.730 11.483 ( 0.000 2.075 1.272) 2.434 11.491 ( 0.000 1.484 3.803) 4.083 11.590 ( 0.000 -6.571 -1.183) 6.677 12.045 ( 0.000 -2.752 -0.694) 2.838 12.150 ( 0.000 -9.643 -3.243) 10.174 12.476 ( 0.000 3.384 9.671) 10.246 12.837 ( 0.000 2.822 12.052) 12.378 12.942 ( 0.000 7.095 -9.832) 12.125 13.553 ( 0.000 2.647 -1.131) 2.878 13.737 ( 0.000 -1.142 1.548) 1.924 14.138 ( 0.000 -1.480 8.554) 8.681 14.194 ( 0.000 -4.040 1.734) 4.397 14.489 ( 0.000 -2.443 3.940) 4.636 14.723 ( 0.000 -7.619 -11.663) 13.931 15.045 ( 0.000 2.145 -12.940) 13.117 15.080 ( 0.000 -4.270 -3.692) 5.645 15.294 ( 0.000 3.450 -6.073) 6.984 15.793 ( 0.000 10.531 1.648) 10.659 15.842 ( 0.000 10.335 0.686) 10.357 16.056 ( 0.000 7.895 16.788) 18.551 16.682 ( 0.000 6.997 -4.624) 8.387 17.002 ( 0.000 12.655 6.772) 14.353 17.238 ( 0.000 -2.436 1.374) 2.797 17.248 ( 0.000 -6.441 1.879) 6.709 18.147 ( 0.000 -0.233 -19.707) 19.708 20.855 ( 0.000 -6.062 0.284) 6.068 20.878 ( 0.000 -6.530 -0.184) 6.533 21.181 ( 0.000 -6.697 -0.609) 6.724 21.215 ( 0.000 -7.656 -0.849) 7.703 26.339 ( 0.000 1.281 2.876) 3.149 26.595 ( 0.000 -1.119 -2.868) 3.079 27.792 ( 0.000 -20.126 0.210) 20.127 27.883 ( 0.000 -22.588 -1.985) 22.675 29.713 ( 0.000 -4.486 11.789) 12.613 29.934 ( 0.000 -9.390 22.037) 23.954 30.559 ( 0.000 -14.798 -7.775) 16.716 31.082 ( 0.000 -23.402 -7.564) 24.594 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 4.178 4.669 -7.802) 10.006 1.980 ( 7.095 21.040 6.789) 23.218 2.494 ( 9.872 26.905 12.235) 31.162 2.695 ( -6.950 0.642 27.745) 28.609 3.050 ( -5.462 -3.070 16.975) 18.095 3.453 ( 3.991 14.503 -9.135) 17.599 3.632 ( -14.719 15.196 2.662) 21.323 3.885 ( 2.996 10.293 -16.490) 19.669 3.928 ( -10.426 8.803 -6.549) 15.136 4.026 ( -1.142 14.706 -3.552) 15.172 4.174 ( -2.988 5.208 -3.483) 6.941 4.278 ( -0.202 30.466 5.575) 30.973 4.603 ( 12.742 30.886 5.737) 33.900 4.634 ( 8.922 16.699 5.930) 19.840 4.977 ( 14.828 10.058 -3.012) 18.169 5.119 ( -7.552 19.218 8.804) 22.447 5.323 ( -3.807 21.371 -1.656) 21.770 5.409 ( -4.689 22.386 -2.516) 23.010 5.666 ( 6.799 16.902 -1.601) 18.289 5.766 ( 7.014 14.173 -5.121) 16.622 5.953 ( -1.979 13.976 -5.659) 15.208 6.212 ( -2.643 14.065 1.523) 14.392 6.506 ( 1.938 -1.330 17.310) 17.469 6.554 ( 0.747 -1.586 0.554) 1.838 6.947 ( -6.676 7.464 -8.323) 13.021 7.488 ( -9.086 -14.221 -3.176) 17.172 7.546 ( 7.121 -6.223 -4.721) 10.570 8.021 ( -7.560 -11.061 -7.178) 15.200 8.115 ( 2.289 13.092 1.171) 13.342 8.496 ( -2.560 8.186 -5.459) 10.167 8.503 ( -1.613 5.288 -5.244) 7.620 8.701 ( -1.075 10.910 -6.309) 12.649 8.991 ( 4.118 -3.579 6.147) 8.219 9.238 ( 5.708 -2.308 7.364) 9.598 9.278 ( 3.701 -1.659 6.102) 7.326 9.402 ( -0.732 -2.183 6.918) 7.291 9.508 ( -4.708 -1.695 2.712) 5.691 9.645 ( -2.232 -1.099 3.145) 4.010 9.717 ( 5.301 7.937 5.138) 10.840 9.821 ( 1.662 8.292 -1.347) 8.563 10.081 ( 2.772 12.588 -4.029) 13.504 10.235 ( -0.714 3.419 -0.447) 3.521 10.438 ( 2.113 9.172 -5.823) 11.068 10.752 ( -2.311 9.470 -10.309) 14.188 10.840 ( 2.380 9.498 -10.650) 14.467 11.045 ( 1.444 -4.335 -2.344) 5.135 11.167 ( -3.974 10.219 4.505) 11.854 11.414 ( -5.383 2.666 2.822) 6.637 11.517 ( 1.059 0.544 3.480) 3.678 11.579 ( -0.873 -5.508 -1.303) 5.727 12.071 ( 2.617 -4.251 -1.063) 5.104 12.138 ( -0.183 -8.450 -2.034) 8.694 12.560 ( 6.745 3.726 4.215) 8.783 12.842 ( -0.113 3.984 5.257) 6.597 13.004 ( 6.176 6.373 -5.325) 10.350 13.479 ( -6.968 1.023 -3.073) 7.684 13.691 ( -3.025 -0.368 5.710) 6.472 14.008 ( -9.781 -1.949 8.565) 13.147 14.283 ( 4.581 -3.760 0.869) 5.990 14.467 ( -1.045 -3.228 6.267) 7.126 14.733 ( 0.221 -7.542 -11.179) 13.487 14.908 ( -7.172 -2.989 -5.300) 9.406 15.207 ( 6.189 -1.375 -10.010) 11.848 15.305 ( 0.921 3.859 -8.677) 9.541 15.777 ( -2.403 9.470 5.689) 11.305 15.891 ( 9.323 10.428 0.703) 14.006 16.129 ( 1.392 6.933 12.224) 14.122 16.625 ( -3.249 11.287 -5.258) 12.869 16.809 ( -10.808 10.892 7.462) 17.063 17.342 ( 8.458 -3.774 -0.133) 9.263 17.392 ( 7.678 -3.866 2.441) 8.936 17.910 ( -21.648 5.030 -14.011) 26.272 20.880 ( 2.555 -5.672 0.329) 6.230 20.908 ( 2.934 -6.870 -0.219) 7.473 21.137 ( -3.949 -6.334 -0.135) 7.465 21.178 ( -3.707 -7.343 -0.786) 8.263 26.603 ( 23.902 -5.712 -1.277) 24.608 26.699 ( 10.665 -2.751 -2.237) 11.239 27.625 ( -13.777 -16.913 1.581) 21.871 27.853 ( -6.177 -23.755 -4.521) 24.958 29.722 ( 1.071 -4.644 12.846) 13.702 29.894 ( -3.526 -8.270 19.938) 21.872 30.641 ( 7.511 -16.503 -6.597) 19.295 31.053 ( -3.063 -23.155 -7.335) 24.481 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 9.061 7.221 -0.180) 11.588 2.036 ( -4.069 10.981 6.101) 13.204 2.626 ( 6.488 6.241 18.750) 20.799 2.773 ( 6.438 11.473 13.575) 18.904 2.898 ( -0.977 11.425 14.805) 18.727 3.233 ( -21.944 15.916 7.914) 28.240 3.578 ( 7.130 14.024 -7.629) 17.484 3.738 ( -9.249 12.126 -6.456) 16.560 3.962 ( 5.191 2.184 -11.189) 12.526 4.055 ( -2.119 3.784 -5.602) 7.084 4.134 ( 3.086 15.463 -9.478) 18.397 4.234 ( -4.514 19.216 -5.074) 20.381 4.785 ( 8.081 22.953 9.985) 26.303 4.931 ( 6.192 32.138 9.279) 34.019 4.949 ( 4.121 23.592 9.569) 25.790 5.201 ( -3.500 30.846 2.814) 31.172 5.300 ( 4.207 19.212 -2.207) 19.790 5.338 ( -0.787 14.832 0.604) 14.866 5.675 ( -5.500 14.110 0.121) 15.145 5.700 ( -5.153 13.034 -6.501) 15.450 6.104 ( 12.698 9.907 -1.945) 16.223 6.277 ( 4.660 15.801 0.275) 16.476 6.378 ( -5.058 -0.668 -1.025) 5.204 6.536 ( -9.441 -2.326 0.115) 9.724 6.986 ( 11.753 2.779 -3.083) 12.464 7.256 ( -14.066 -6.128 -1.339) 15.401 7.696 ( 8.082 -5.690 -2.879) 10.295 7.857 ( -8.628 -7.168 -3.702) 11.812 8.192 ( 5.549 7.688 0.304) 9.486 8.329 ( -8.501 4.800 -0.623) 9.782 8.574 ( 3.941 8.299 -9.542) 13.246 8.650 ( -3.698 9.037 -8.249) 12.782 9.147 ( 9.324 -2.070 3.934) 10.330 9.276 ( -2.544 0.938 6.362) 6.915 9.368 ( 6.124 -1.855 6.925) 9.429 9.399 ( 0.929 -4.878 4.952) 7.012 9.432 ( -2.356 -2.246 6.561) 7.324 9.537 ( -8.621 -1.666 7.590) 11.606 9.815 ( 3.970 3.282 0.662) 5.193 9.853 ( 0.452 6.731 0.908) 6.807 10.145 ( 3.750 11.856 -4.718) 13.300 10.210 ( -2.412 9.548 -3.102) 10.325 10.521 ( 6.583 10.168 -8.620) 14.867 10.663 ( -6.922 9.096 -10.407) 15.458 10.908 ( 5.057 6.628 -0.407) 8.347 11.019 ( -5.360 1.929 5.778) 8.114 11.162 ( 4.804 4.699 -4.269) 7.962 11.286 ( -7.209 3.078 1.481) 7.977 11.538 ( 1.149 -1.256 2.395) 2.938 11.560 ( -1.105 -3.384 0.322) 3.574 12.129 ( 2.537 -6.494 -1.650) 7.165 12.148 ( 0.450 -7.723 -1.683) 7.917 12.691 ( 6.587 5.288 -2.124) 8.710 12.802 ( -4.276 5.521 -2.908) 7.564 13.158 ( 8.816 5.608 -2.915) 10.848 13.323 ( -8.387 2.897 -4.174) 9.806 13.679 ( 2.707 -3.680 11.035) 11.943 13.806 ( -9.784 -3.589 11.428) 15.467 14.352 ( 3.882 -1.528 0.990) 4.288 14.439 ( -3.609 -3.273 5.732) 7.523 14.739 ( 1.979 -7.846 -8.002) 11.380 14.805 ( -4.014 -7.455 -3.852) 9.302 15.286 ( 2.369 -0.621 -10.911) 11.182 15.314 ( -0.463 2.582 -12.366) 12.641 15.826 ( 7.346 8.682 8.159) 13.997 16.009 ( -9.077 4.485 7.718) 12.731 16.134 ( 12.874 13.702 0.717) 18.815 16.419 ( -15.347 11.661 -1.119) 19.307 16.916 ( 18.194 15.208 3.227) 23.931 17.337 ( -20.502 9.775 -1.775) 22.782 17.491 ( 5.735 -5.137 -0.540) 7.719 17.563 ( -4.525 -1.955 -1.561) 5.171 20.951 ( 4.571 -5.452 0.271) 7.120 20.983 ( 4.607 -6.960 -0.335) 8.354 21.048 ( -4.865 -6.005 0.292) 7.734 21.086 ( -5.398 -6.959 -0.439) 8.818 26.955 ( 16.207 -6.581 -0.555) 17.501 27.121 ( 21.260 -14.533 -7.357) 26.783 27.334 ( -11.490 -13.737 2.174) 18.040 27.616 ( -18.109 -22.545 -6.743) 29.694 29.757 ( 2.614 -5.304 14.926) 16.054 29.820 ( -3.764 -6.552 17.119) 18.712 30.808 ( 8.887 -19.536 -6.038) 22.296 30.960 ( -6.512 -21.966 -6.667) 23.861 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 0.000 7.045 -0.107) 7.046 2.381 ( 0.000 20.266 11.032) 23.074 2.636 ( 0.000 -5.192 30.919) 31.352 2.979 ( 0.000 -6.306 15.311) 16.558 3.116 ( 0.000 32.570 10.464) 34.210 3.657 ( 0.000 10.696 -10.261) 14.822 3.976 ( 0.000 12.233 -10.194) 15.924 4.124 ( 0.000 1.120 -10.450) 10.509 4.182 ( 0.000 3.759 -4.543) 5.897 4.241 ( 0.000 9.745 -0.221) 9.747 4.443 ( 0.000 8.282 -3.240) 8.893 4.539 ( 0.000 -2.336 0.368) 2.364 4.703 ( 0.000 2.895 1.472) 3.247 4.757 ( 0.000 12.182 -2.333) 12.403 5.319 ( 0.000 21.716 4.460) 22.170 5.421 ( 0.000 17.787 7.878) 19.453 5.855 ( 0.000 11.693 -6.127) 13.201 5.856 ( 0.000 18.763 -1.447) 18.819 6.019 ( 0.000 15.129 -1.009) 15.162 6.080 ( 0.000 12.569 1.437) 12.651 6.155 ( 0.000 21.804 4.285) 22.221 6.323 ( 0.000 6.843 12.426) 14.185 6.432 ( 0.000 0.313 -9.113) 9.119 6.990 ( 0.000 28.166 3.273) 28.355 7.185 ( 0.000 -18.194 -6.637) 19.366 7.248 ( 0.000 11.148 -2.813) 11.497 7.430 ( 0.000 5.544 -2.686) 6.161 7.804 ( 0.000 -13.681 -8.173) 15.937 8.416 ( 0.000 15.697 0.697) 15.713 8.564 ( 0.000 0.780 -2.522) 2.640 8.724 ( 0.000 6.863 -3.020) 7.498 8.809 ( 0.000 2.741 -6.987) 7.506 8.993 ( 0.000 -4.614 4.626) 6.534 9.082 ( 0.000 7.799 1.573) 7.956 9.223 ( 0.000 -1.436 10.782) 10.877 9.318 ( 0.000 -7.131 5.235) 8.846 9.449 ( 0.000 -2.489 11.483) 11.750 9.707 ( 0.000 1.093 -0.218) 1.114 9.769 ( 0.000 -3.281 -5.425) 6.340 9.956 ( 0.000 5.032 1.629) 5.289 10.295 ( 0.000 9.596 -3.166) 10.105 10.321 ( 0.000 9.338 2.838) 9.759 10.562 ( 0.000 6.084 1.556) 6.280 10.919 ( 0.000 0.678 -13.578) 13.595 10.971 ( 0.000 0.407 -8.939) 8.948 11.062 ( 0.000 13.613 -7.560) 15.571 11.440 ( 0.000 -7.396 -0.052) 7.397 11.441 ( 0.000 8.293 2.429) 8.641 11.516 ( 0.000 3.225 2.512) 4.088 11.597 ( 0.000 7.324 2.765) 7.829 11.949 ( 0.000 -8.958 -1.236) 9.043 12.016 ( 0.000 0.622 -0.375) 0.726 12.578 ( 0.000 6.428 7.958) 10.230 12.920 ( 0.000 5.409 11.549) 12.753 13.082 ( 0.000 6.331 -10.926) 12.627 13.594 ( 0.000 0.920 -3.560) 3.677 13.706 ( 0.000 -1.904 -0.947) 2.127 14.101 ( 0.000 -5.746 6.388) 8.592 14.109 ( 0.000 -1.327 10.308) 10.394 14.386 ( 0.000 -7.907 7.235) 10.717 14.666 ( 0.000 2.484 -15.123) 15.325 14.991 ( 0.000 -3.859 -2.220) 4.452 15.002 ( 0.000 -5.469 -9.850) 11.267 15.401 ( 0.000 5.761 -14.997) 16.066 15.941 ( 0.000 6.231 5.588) 8.370 16.012 ( 0.000 6.800 1.670) 7.002 16.294 ( 0.000 12.830 14.012) 18.998 16.864 ( 0.000 10.302 -4.342) 11.180 17.107 ( 0.000 -7.365 3.164) 8.016 17.188 ( 0.000 -1.164 0.317) 1.207 17.275 ( 0.000 12.752 6.850) 14.476 18.104 ( 0.000 -3.204 -10.980) 11.438 20.739 ( 0.000 -5.217 0.105) 5.218 20.753 ( 0.000 -5.582 -0.169) 5.585 21.041 ( 0.000 -6.851 -0.442) 6.866 21.058 ( 0.000 -7.578 -0.528) 7.596 26.369 ( 0.000 1.722 2.225) 2.814 26.572 ( 0.000 -1.130 -2.332) 2.591 27.383 ( 0.000 -19.500 0.130) 19.500 27.433 ( 0.000 -21.056 -0.948) 21.078 29.647 ( 0.000 -2.042 7.520) 7.792 29.782 ( 0.000 -5.841 13.477) 14.689 30.273 ( 0.000 -13.071 -6.255) 14.490 30.621 ( 0.000 -21.391 -6.791) 22.443 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 6.065 7.137 2.579) 9.714 2.360 ( -3.617 13.162 14.486) 19.904 2.644 ( 2.120 0.863 25.850) 25.951 2.941 ( -3.266 -2.203 16.457) 16.922 3.151 ( 3.265 26.710 10.738) 28.972 3.697 ( 3.992 9.493 -10.947) 15.030 3.846 ( -17.575 4.899 2.376) 18.399 4.053 ( -2.775 3.511 -8.671) 9.758 4.097 ( -4.242 9.282 -8.798) 13.475 4.181 ( -1.103 10.043 -5.915) 11.708 4.362 ( -0.263 11.618 -7.426) 13.791 4.627 ( -5.845 9.544 -3.110) 11.616 4.827 ( 9.326 5.504 4.611) 11.770 4.958 ( 21.914 -2.191 -4.293) 22.438 5.345 ( -4.681 0.669 -0.708) 4.781 5.453 ( 9.086 32.429 9.806) 35.076 5.854 ( 2.197 26.533 -0.441) 26.628 5.946 ( -2.792 16.466 0.479) 16.708 5.971 ( 4.939 13.877 -1.712) 14.829 6.031 ( -4.500 11.441 -0.412) 12.301 6.110 ( -3.463 9.140 4.931) 10.948 6.341 ( 2.107 9.661 2.988) 10.330 6.495 ( 3.794 0.522 1.093) 3.983 6.915 ( -8.384 25.699 3.158) 27.216 7.147 ( -1.727 -6.018 -7.429) 9.716 7.233 ( -1.310 6.697 -2.415) 7.239 7.492 ( 5.262 2.740 -4.258) 7.302 7.775 ( -2.777 -10.267 -7.243) 12.867 8.395 ( -1.691 13.907 0.714) 14.027 8.591 ( -2.655 2.501 -0.929) 3.764 8.634 ( -1.555 5.091 -5.611) 7.734 8.854 ( 0.564 4.226 -9.100) 10.049 8.976 ( 2.441 1.713 2.700) 4.023 9.165 ( 5.710 -1.656 5.461) 8.073 9.237 ( 1.683 -2.049 10.063) 10.406 9.306 ( -1.239 -5.607 4.862) 7.524 9.434 ( -1.504 -1.888 11.694) 11.940 9.651 ( -5.362 0.582 1.919) 5.725 9.770 ( 0.041 -3.518 -4.117) 5.416 9.942 ( -1.528 1.968 2.045) 3.224 10.338 ( 4.489 13.165 -2.172) 14.078 10.378 ( 4.420 8.730 0.156) 9.786 10.605 ( 4.388 6.940 -1.785) 8.403 10.900 ( -2.062 2.686 -13.171) 13.599 10.962 ( -0.297 0.399 -4.454) 4.482 11.091 ( 1.773 10.662 -7.118) 12.942 11.370 ( -4.675 7.485 1.480) 8.949 11.456 ( -0.128 -2.975 0.629) 3.044 11.506 ( -0.517 0.896 2.760) 2.948 11.582 ( -1.802 8.335 3.661) 9.280 11.949 ( 0.723 -7.716 -1.880) 7.975 12.019 ( 0.146 -1.753 -2.283) 2.882 12.662 ( 7.380 6.179 5.376) 11.025 12.932 ( 0.826 5.085 7.186) 8.841 13.137 ( 5.427 6.367 -7.496) 11.233 13.511 ( -6.535 1.628 -3.153) 7.436 13.670 ( -3.893 -1.695 0.186) 4.250 13.981 ( -9.816 -0.916 10.849) 14.659 14.174 ( 4.996 -7.396 6.362) 10.961 14.390 ( -0.381 -5.760 8.272) 10.087 14.635 ( -2.436 -0.248 -13.369) 13.591 14.835 ( -8.566 -3.363 -5.650) 10.798 15.132 ( 6.100 -5.320 -7.571) 11.082 15.396 ( -1.145 3.839 -15.670) 16.174 15.923 ( -0.171 6.867 6.703) 9.598 16.076 ( 5.897 7.244 1.457) 9.454 16.330 ( 1.631 11.333 11.737) 16.397 16.867 ( -3.366 10.512 -4.381) 11.875 16.979 ( -2.200 5.038 5.752) 7.956 17.274 ( 6.924 -2.491 -0.212) 7.362 17.369 ( 5.038 3.334 4.483) 7.523 17.955 ( -14.392 0.228 -8.752) 16.845 20.768 ( 2.897 -5.197 0.058) 5.950 20.778 ( 2.502 -5.740 -0.108) 6.262 21.006 ( -3.310 -6.401 -0.213) 7.209 21.027 ( -3.096 -7.274 -0.496) 7.921 26.520 ( 14.281 -2.679 0.674) 14.546 26.643 ( 7.150 -2.676 -1.852) 7.856 27.280 ( -9.073 -16.643 0.765) 18.971 27.389 ( -5.848 -21.220 -1.940) 22.096 29.653 ( 0.703 -2.193 8.102) 8.422 29.760 ( -2.032 -5.155 12.473) 13.649 30.323 ( 4.707 -14.452 -5.827) 16.278 30.600 ( -2.267 -20.972 -6.596) 22.102 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 10.126 6.842 8.858) 15.093 2.220 ( -9.923 6.716 14.815) 19.054 2.737 ( 6.644 4.358 21.234) 22.672 2.859 ( -5.351 0.350 19.610) 20.330 3.256 ( 8.382 19.914 9.090) 23.441 3.494 ( -16.145 10.394 7.184) 20.502 3.802 ( 6.654 7.018 -11.841) 15.288 3.944 ( -7.563 3.978 -11.657) 14.454 4.101 ( 2.466 13.511 -8.194) 15.992 4.149 ( -2.205 12.117 -6.823) 14.079 4.402 ( 4.020 10.486 -7.023) 13.245 4.503 ( -6.171 9.777 -5.561) 12.829 5.017 ( 10.073 2.571 3.286) 10.903 5.204 ( -8.934 1.891 0.144) 9.133 5.351 ( 17.378 0.690 -5.476) 18.234 5.577 ( -2.708 12.099 2.406) 12.629 5.866 ( 2.448 25.933 2.610) 26.178 5.910 ( -0.815 16.401 -0.277) 16.424 5.956 ( -2.136 30.599 2.929) 30.813 6.003 ( -3.493 22.981 2.058) 23.336 6.185 ( 11.811 -0.089 3.224) 12.244 6.366 ( -2.574 2.179 2.740) 4.346 6.538 ( 2.761 2.359 4.762) 5.988 6.691 ( -12.367 13.327 3.521) 18.518 7.157 ( 2.220 7.325 -7.261) 10.550 7.202 ( -2.000 8.518 -4.494) 9.837 7.602 ( 5.723 -0.647 -5.650) 8.068 7.703 ( -4.575 -4.459 -6.173) 8.883 8.381 ( 1.048 10.155 0.694) 10.232 8.454 ( -6.460 7.112 0.191) 9.610 8.706 ( 4.752 4.457 -8.320) 10.567 8.798 ( -4.532 5.367 -9.689) 11.968 9.116 ( 8.941 -0.145 1.853) 9.132 9.232 ( -1.638 -4.718 3.871) 6.319 9.271 ( 2.569 -4.139 8.576) 9.862 9.301 ( 1.449 -2.459 7.062) 7.617 9.408 ( -0.106 -1.412 11.986) 12.069 9.502 ( -8.987 -1.928 7.543) 11.891 9.804 ( 3.842 -2.393 -2.488) 5.165 9.889 ( -4.000 -1.307 0.371) 4.224 10.429 ( 3.644 13.575 -3.018) 14.376 10.447 ( 1.869 10.732 -2.736) 11.232 10.720 ( 6.808 8.093 -6.775) 12.560 10.835 ( -4.700 5.901 -10.516) 12.942 10.979 ( 2.591 0.450 0.476) 2.672 11.064 ( -4.813 4.956 1.595) 7.090 11.340 ( 2.562 9.864 -3.709) 10.846 11.418 ( -3.912 4.726 -2.456) 6.608 11.511 ( 0.966 -0.019 4.843) 4.939 11.539 ( -2.023 4.280 5.472) 7.235 11.983 ( 2.276 -7.069 -4.062) 8.465 12.015 ( -0.792 -5.148 -4.301) 6.755 12.813 ( 7.332 6.461 0.872) 9.811 12.918 ( -3.049 5.836 0.502) 6.604 13.270 ( 7.186 5.233 -4.349) 9.897 13.389 ( -5.794 3.391 -4.165) 7.900 13.623 ( 1.648 -2.001 6.891) 7.362 13.764 ( -11.212 -0.996 11.967) 16.429 14.281 ( 5.349 -6.793 6.655) 10.911 14.361 ( -2.720 -5.066 8.999) 10.680 14.607 ( 0.616 -3.470 -9.967) 10.572 14.681 ( -6.677 -3.592 -6.588) 10.044 15.240 ( 5.401 -3.670 -11.209) 12.972 15.339 ( -4.489 -0.280 -14.391) 15.077 15.987 ( 6.304 7.964 7.081) 12.382 16.111 ( -4.303 6.003 5.656) 9.303 16.416 ( 9.655 12.343 4.439) 16.287 16.652 ( -13.312 9.472 1.435) 16.401 17.180 ( 16.179 10.390 0.773) 19.243 17.394 ( 0.882 -1.864 1.084) 2.329 17.417 ( 2.866 -0.027 0.822) 2.982 17.617 ( -17.822 5.166 -4.054) 18.993 20.840 ( 4.220 -5.322 0.005) 6.792 20.849 ( 4.738 -6.075 -0.104) 7.705 20.927 ( -4.530 -5.805 0.024) 7.364 20.946 ( -4.970 -6.568 -0.308) 8.243 26.816 ( 12.321 -7.049 -0.694) 14.212 26.862 ( 16.354 -10.462 -2.457) 19.569 27.071 ( -11.132 -12.163 1.144) 16.528 27.197 ( -13.745 -18.311 -2.436) 23.025 29.676 ( 1.647 -2.800 9.385) 9.931 29.715 ( -2.320 -3.887 10.847) 11.754 30.431 ( 5.875 -17.193 -5.670) 19.033 30.534 ( -4.516 -19.585 -6.105) 21.005 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.000 11.724 10.700) 15.873 2.543 ( 0.000 -3.277 29.707) 29.887 2.666 ( 0.000 6.678 17.131) 18.387 2.847 ( 0.000 -6.263 18.800) 19.816 3.732 ( 0.000 26.129 4.310) 26.482 3.855 ( 0.000 8.275 -17.153) 19.044 3.981 ( 0.000 -10.502 -5.183) 11.711 4.054 ( 0.000 -7.152 -9.283) 11.719 4.325 ( 0.000 14.555 -2.815) 14.825 4.479 ( 0.000 11.120 -0.584) 11.136 4.618 ( 0.000 9.940 1.783) 10.099 4.621 ( 0.000 10.768 -8.637) 13.803 4.772 ( 0.000 5.221 3.819) 6.468 4.983 ( 0.000 10.123 -2.625) 10.457 5.330 ( 0.000 -3.308 -1.311) 3.558 5.698 ( 0.000 -0.608 6.648) 6.676 5.715 ( 0.000 -13.862 -2.076) 14.016 6.013 ( 0.000 -13.217 -7.761) 15.327 6.178 ( 0.000 1.390 4.209) 4.433 6.367 ( 0.000 -2.552 1.957) 3.216 6.581 ( 0.000 30.106 2.122) 30.180 6.630 ( 0.000 17.316 -0.032) 17.316 6.687 ( 0.000 20.321 2.872) 20.523 6.963 ( 0.000 3.780 -4.781) 6.095 7.455 ( 0.000 7.053 -2.979) 7.656 7.497 ( 0.000 18.771 -2.888) 18.992 7.639 ( 0.000 0.207 -2.857) 2.865 7.655 ( 0.000 13.878 -0.554) 13.889 8.532 ( 0.000 -1.937 1.810) 2.652 8.709 ( 0.000 12.234 0.401) 12.241 8.770 ( 0.000 -3.214 -2.268) 3.933 8.888 ( 0.000 3.988 -6.043) 7.240 8.943 ( 0.000 -0.307 3.264) 3.279 9.184 ( 0.000 2.019 5.095) 5.481 9.245 ( 0.000 1.735 3.066) 3.523 9.274 ( 0.000 5.688 1.817) 5.971 9.448 ( 0.000 1.880 13.196) 13.329 9.629 ( 0.000 -7.851 -7.530) 10.878 9.730 ( 0.000 0.921 -1.760) 1.987 9.950 ( 0.000 -3.808 4.045) 5.555 10.449 ( 0.000 6.198 -3.114) 6.937 10.568 ( 0.000 12.238 3.192) 12.647 10.670 ( 0.000 4.611 2.471) 5.232 10.874 ( 0.000 -3.055 -5.173) 6.007 11.000 ( 0.000 0.851 -9.055) 9.094 11.282 ( 0.000 6.256 -11.093) 12.736 11.302 ( 0.000 -5.589 1.753) 5.858 11.454 ( 0.000 -2.441 -1.084) 2.671 11.606 ( 0.000 0.072 5.173) 5.173 11.720 ( 0.000 3.695 -2.933) 4.717 11.892 ( 0.000 5.420 0.885) 5.492 12.079 ( 0.000 4.825 -0.254) 4.831 12.732 ( 0.000 8.526 6.969) 11.011 13.056 ( 0.000 7.920 9.836) 12.628 13.186 ( 0.000 3.555 -10.335) 10.930 13.582 ( 0.000 -1.894 -4.808) 5.168 13.662 ( 0.000 -2.421 -3.527) 4.278 13.937 ( 0.000 -10.551 5.570) 11.931 14.088 ( 0.000 -0.609 12.249) 12.264 14.243 ( 0.000 -5.082 11.561) 12.628 14.717 ( 0.000 -0.272 -13.755) 13.757 14.866 ( 0.000 -7.159 -8.448) 11.073 14.988 ( 0.000 5.427 -4.021) 6.754 15.483 ( 0.000 1.886 -18.157) 18.255 16.089 ( 0.000 8.095 4.310) 9.171 16.135 ( 0.000 5.540 2.013) 5.894 16.503 ( 0.000 7.045 14.275) 15.918 16.953 ( 0.000 -7.650 4.808) 9.035 17.071 ( 0.000 9.406 -2.947) 9.857 17.189 ( 0.000 1.758 -0.446) 1.814 17.524 ( 0.000 11.219 4.554) 12.108 18.033 ( 0.000 -3.591 -5.837) 6.853 20.648 ( 0.000 -3.681 -0.029) 3.681 20.656 ( 0.000 -3.943 -0.176) 3.947 20.911 ( 0.000 -5.711 -0.153) 5.713 20.917 ( 0.000 -6.098 -0.179) 6.101 26.407 ( 0.000 1.985 1.527) 2.504 26.548 ( 0.000 -1.240 -1.647) 2.062 27.023 ( 0.000 -15.428 0.120) 15.429 27.048 ( 0.000 -16.307 -0.412) 16.313 29.628 ( 0.000 0.108 4.435) 4.436 29.696 ( 0.000 -2.511 7.748) 8.144 30.036 ( 0.000 -10.186 -4.367) 11.083 30.227 ( 0.000 -17.132 -4.808) 17.794 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 4.904 10.710 12.184) 16.946 2.467 ( -6.329 0.540 24.795) 25.596 2.715 ( 3.416 2.643 20.972) 21.412 2.840 ( -0.740 -5.791 20.242) 21.067 3.701 ( -2.839 24.152 4.637) 24.756 3.809 ( -8.172 -2.710 -1.480) 8.736 3.892 ( -0.714 6.869 -14.139) 15.735 4.025 ( -2.852 -3.580 -11.791) 12.649 4.378 ( 3.948 16.546 -5.771) 17.963 4.472 ( 0.392 15.096 -5.130) 15.949 4.601 ( -0.572 12.588 -6.276) 14.077 4.761 ( 0.778 3.947 -1.646) 4.346 4.879 ( 16.385 -0.769 1.971) 16.521 4.967 ( 0.609 7.259 0.512) 7.303 5.269 ( -5.512 -5.327 -1.252) 7.767 5.664 ( 0.108 -4.481 -0.561) 4.517 5.841 ( 5.038 -10.241 2.651) 11.717 5.980 ( -0.405 -11.406 -2.303) 11.644 6.147 ( -1.961 -4.670 3.900) 6.393 6.362 ( 0.199 5.541 2.178) 5.957 6.602 ( -1.237 23.491 1.186) 23.553 6.626 ( 1.754 23.494 3.773) 23.860 6.718 ( 2.296 17.841 1.334) 18.037 6.932 ( -4.649 1.532 -5.120) 7.083 7.395 ( -4.566 15.016 -1.590) 15.775 7.469 ( -0.007 10.476 -3.107) 10.927 7.660 ( 0.855 11.102 -3.546) 11.686 7.701 ( 3.277 4.133 -4.989) 7.261 8.589 ( 4.368 -0.827 0.771) 4.511 8.659 ( -3.906 10.897 0.018) 11.576 8.718 ( -3.832 2.252 -2.358) 5.032 8.892 ( 0.134 0.333 -4.921) 4.934 8.994 ( 5.223 -0.600 3.142) 6.125 9.176 ( -2.266 2.046 -0.051) 3.054 9.242 ( 2.571 -0.375 7.518) 7.954 9.265 ( -1.607 5.174 6.480) 8.447 9.445 ( -0.824 2.613 10.588) 10.936 9.631 ( -4.687 -3.479 -3.039) 6.581 9.696 ( 1.356 -0.968 -2.324) 2.860 9.925 ( -2.354 -2.442 3.297) 4.730 10.509 ( 5.028 5.398 -2.951) 7.945 10.593 ( 2.228 9.455 1.927) 9.903 10.725 ( 5.157 5.081 -1.798) 7.460 10.873 ( 0.265 -2.644 -4.462) 5.193 10.995 ( -0.316 1.302 -7.355) 7.476 11.240 ( -2.387 1.539 -3.578) 4.568 11.383 ( 4.435 0.352 -0.788) 4.518 11.471 ( 2.497 0.282 -3.380) 4.212 11.545 ( -4.544 1.184 4.937) 6.813 11.731 ( 0.411 3.606 -3.285) 4.895 11.878 ( -1.140 3.152 -0.068) 3.353 12.038 ( -4.005 3.255 -1.269) 5.315 12.806 ( 6.853 7.946 5.814) 11.996 13.051 ( -0.055 6.547 5.499) 8.550 13.250 ( 5.493 4.402 -6.368) 9.492 13.531 ( -4.090 0.194 -4.343) 5.969 13.626 ( -3.775 -2.423 -2.838) 5.308 13.937 ( -2.936 -7.064 9.180) 11.950 14.014 ( -2.753 -4.284 10.084) 11.297 14.252 ( -0.241 -6.671 12.051) 13.776 14.654 ( -4.489 -0.383 -12.164) 12.971 14.837 ( -4.962 4.023 -9.483) 11.434 15.019 ( 4.374 -4.445 -5.190) 8.113 15.436 ( -4.939 0.018 -16.845) 17.554 16.082 ( 1.439 8.424 4.150) 9.500 16.207 ( 5.063 6.077 1.894) 8.133 16.518 ( 1.273 6.174 11.884) 13.453 16.897 ( -5.749 -4.848 3.855) 8.451 17.144 ( 8.146 9.686 -1.577) 12.754 17.260 ( 6.266 1.405 -0.387) 6.433 17.514 ( -1.160 9.045 4.240) 10.056 17.940 ( -9.275 -1.481 -4.882) 10.585 20.673 ( 2.535 -3.956 -0.016) 4.698 20.679 ( 2.382 -3.967 -0.152) 4.630 20.884 ( -2.637 -5.386 -0.084) 5.997 20.892 ( -2.515 -5.856 -0.174) 6.375 26.487 ( 7.697 -0.707 0.946) 7.787 26.591 ( 4.275 -2.437 -1.365) 5.107 26.969 ( -5.068 -13.462 0.289) 14.388 27.010 ( -4.329 -15.768 -0.660) 16.364 29.631 ( 0.374 -0.011 4.730) 4.745 29.685 ( -1.016 -2.082 7.269) 7.629 30.061 ( 2.463 -11.184 -4.230) 12.208 30.214 ( -1.327 -16.696 -4.702) 17.396 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 7.813 7.936 15.820) 19.347 2.325 ( -8.062 4.257 20.189) 22.152 2.775 ( 2.681 -1.285 22.726) 22.920 2.817 ( -1.697 -4.254 22.468) 22.930 3.650 ( -1.504 17.793 5.000) 18.544 3.672 ( -4.243 7.643 4.477) 9.822 3.918 ( 2.178 5.351 -16.101) 17.106 3.967 ( -2.879 0.556 -14.165) 14.465 4.446 ( 2.799 18.359 -6.546) 19.691 4.479 ( -0.402 17.238 -6.725) 18.508 4.615 ( 2.661 11.389 -5.880) 13.091 4.699 ( -5.214 9.872 -6.394) 12.866 5.013 ( 5.163 -0.661 2.947) 5.981 5.120 ( -4.162 -7.536 2.435) 8.946 5.280 ( 15.757 -4.443 -5.214) 17.182 5.564 ( -11.435 -6.904 -7.036) 15.098 5.910 ( 4.527 -10.096 7.778) 13.525 5.988 ( -2.611 -10.226 8.879) 13.792 6.223 ( 10.404 -8.969 -0.239) 13.738 6.362 ( -1.616 -0.602 0.773) 1.890 6.564 ( -0.677 23.160 1.891) 23.247 6.640 ( -4.549 25.023 0.936) 25.451 6.733 ( 0.178 16.280 2.820) 16.523 6.783 ( -5.854 12.151 2.920) 13.800 7.396 ( 3.561 14.526 -4.918) 15.745 7.457 ( -1.835 11.339 -4.998) 12.527 7.687 ( 2.001 6.153 -7.368) 9.806 7.725 ( -1.005 5.406 -6.964) 8.873 8.575 ( -1.171 8.121 -1.046) 8.271 8.606 ( -3.631 7.591 0.345) 8.422 8.762 ( 6.896 1.776 -2.973) 7.717 8.868 ( -3.266 1.588 -4.246) 5.587 9.122 ( 5.215 -1.364 3.924) 6.667 9.145 ( -0.595 -1.851 4.886) 5.258 9.224 ( 1.629 -1.810 5.970) 6.447 9.314 ( 0.311 3.895 4.665) 6.085 9.405 ( -1.480 0.532 9.814) 9.939 9.482 ( -7.577 2.557 4.757) 9.305 9.771 ( 4.772 -0.486 -1.835) 5.135 9.861 ( -4.197 -0.939 1.154) 4.452 10.595 ( 3.336 4.285 -2.037) 5.800 10.628 ( 0.358 5.660 -2.310) 6.123 10.824 ( 4.362 1.808 -6.537) 8.064 10.884 ( -0.851 -0.165 -5.861) 5.925 11.023 ( 4.977 3.958 -1.827) 6.617 11.156 ( -6.644 3.835 -1.970) 7.920 11.429 ( 1.315 -0.256 4.760) 4.945 11.461 ( -2.371 1.071 4.771) 5.434 11.594 ( 7.293 7.350 -4.074) 11.127 11.708 ( -3.556 7.302 -2.961) 8.644 11.874 ( 1.498 -2.639 -3.545) 4.666 11.943 ( -5.101 -1.754 -4.420) 6.973 12.950 ( 6.925 7.053 2.716) 10.251 13.041 ( -2.040 6.310 2.003) 6.928 13.358 ( 4.812 2.922 -5.533) 7.894 13.443 ( -4.694 1.275 -5.326) 7.213 13.598 ( 3.436 -0.188 5.288) 6.309 13.757 ( -11.131 0.310 11.843) 16.256 14.089 ( 6.506 -10.984 8.612) 15.399 14.206 ( -4.689 -9.339 11.598) 15.612 14.610 ( 1.039 2.614 -10.157) 10.540 14.700 ( -7.389 5.476 -8.056) 12.227 15.143 ( 7.842 -5.755 -10.644) 14.419 15.303 ( -8.196 -3.249 -14.084) 16.616 16.158 ( 5.567 8.654 4.836) 11.370 16.247 ( -2.122 7.221 4.731) 8.890 16.588 ( 6.833 4.001 5.245) 9.498 16.750 ( -8.779 0.046 2.934) 9.256 17.340 ( 8.887 5.909 0.565) 10.687 17.403 ( 7.084 3.912 -0.776) 8.129 17.484 ( 0.667 5.461 2.796) 6.171 17.703 ( -14.236 2.927 -2.674) 14.778 20.738 ( 3.925 -4.452 0.019) 5.935 20.743 ( 4.081 -4.315 -0.134) 5.941 20.817 ( -4.025 -4.832 0.008) 6.288 20.826 ( -4.113 -5.165 -0.147) 6.604 26.671 ( 10.185 -6.317 -0.204) 11.986 26.704 ( 7.100 -5.842 -0.912) 9.240 26.846 ( -7.144 -9.799 0.335) 12.131 26.881 ( -8.583 -12.573 -0.597) 15.235 29.643 ( 0.835 -0.449 5.456) 5.538 29.663 ( -1.180 -1.220 6.356) 6.579 30.119 ( 3.209 -13.328 -4.209) 14.341 30.176 ( -2.559 -15.379 -4.442) 16.211 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 0.000 13.445 18.369) 22.764 2.516 ( 0.000 0.797 26.348) 26.360 2.655 ( 0.000 -5.368 20.610) 21.298 2.731 ( 0.000 -6.433 21.742) 22.674 3.765 ( 0.000 -8.334 -2.929) 8.834 3.789 ( 0.000 -9.058 -5.054) 10.373 4.111 ( 0.000 8.506 -19.551) 21.321 4.128 ( 0.000 11.015 -3.881) 11.679 4.640 ( 0.000 15.218 -0.494) 15.226 4.692 ( 0.000 10.076 -3.555) 10.685 4.820 ( 0.000 8.816 -2.513) 9.167 4.899 ( 0.000 14.345 -6.804) 15.876 4.951 ( 0.000 10.657 1.951) 10.834 5.168 ( 0.000 8.639 -2.760) 9.069 5.273 ( 0.000 -0.411 2.975) 3.004 5.417 ( 0.000 -14.034 2.575) 14.268 5.647 ( 0.000 -1.888 1.243) 2.261 5.676 ( 0.000 -16.982 -6.014) 18.016 5.969 ( 0.000 -17.882 0.631) 17.893 6.074 ( 0.000 -19.049 0.678) 19.061 6.934 ( 0.000 11.128 -0.475) 11.138 6.977 ( 0.000 9.926 0.458) 9.936 7.153 ( 0.000 18.213 -0.178) 18.213 7.181 ( 0.000 10.622 -2.494) 10.911 7.554 ( 0.000 6.860 -3.897) 7.890 7.734 ( 0.000 5.274 -4.545) 6.962 7.778 ( 0.000 8.788 4.526) 9.885 7.889 ( 0.000 7.004 3.505) 7.832 8.518 ( 0.000 0.612 2.349) 2.427 8.658 ( 0.000 -5.721 -1.213) 5.848 8.910 ( 0.000 6.126 0.165) 6.128 8.949 ( 0.000 2.034 -3.028) 3.648 8.952 ( 0.000 2.747 2.729) 3.873 9.219 ( 0.000 -2.787 7.632) 8.125 9.306 ( 0.000 0.480 -8.060) 8.075 9.338 ( 0.000 4.531 0.464) 4.555 9.520 ( 0.000 5.371 11.554) 12.742 9.576 ( 0.000 3.581 -3.970) 5.346 9.732 ( 0.000 -1.020 -3.982) 4.111 9.836 ( 0.000 -7.101 5.935) 9.255 10.568 ( 0.000 5.845 -2.998) 6.569 10.752 ( 0.000 3.372 2.142) 3.995 10.760 ( 0.000 5.751 2.238) 6.171 10.799 ( 0.000 -4.522 -3.985) 6.028 11.025 ( 0.000 2.740 -3.467) 4.419 11.238 ( 0.000 -0.362 1.449) 1.493 11.266 ( 0.000 -5.918 -5.332) 7.966 11.379 ( 0.000 -4.815 -0.833) 4.887 11.646 ( 0.000 4.343 -0.346) 4.356 11.753 ( 0.000 -0.050 -4.657) 4.657 12.045 ( 0.000 7.226 0.793) 7.269 12.160 ( 0.000 2.172 -0.730) 2.291 12.918 ( 0.000 9.482 4.460) 10.479 13.206 ( 0.000 -2.116 -6.507) 6.843 13.237 ( 0.000 9.776 7.642) 12.408 13.543 ( 0.000 -1.241 -4.764) 4.923 13.610 ( 0.000 -2.592 -6.045) 6.577 13.699 ( 0.000 -11.970 3.416) 12.447 14.088 ( 0.000 0.742 14.140) 14.160 14.169 ( 0.000 -2.824 15.086) 15.348 14.674 ( 0.000 -2.219 -10.070) 10.312 14.734 ( 0.000 -5.327 -8.347) 9.902 15.169 ( 0.000 10.341 -10.384) 14.655 15.472 ( 0.000 -3.037 -17.186) 17.452 16.238 ( 0.000 4.354 2.019) 4.800 16.240 ( 0.000 5.817 1.186) 5.936 16.592 ( 0.000 2.857 14.237) 14.520 16.801 ( 0.000 -7.207 7.224) 10.204 17.225 ( 0.000 5.379 -1.490) 5.582 17.247 ( 0.000 3.153 -0.388) 3.177 17.723 ( 0.000 8.287 1.874) 8.496 17.958 ( 0.000 -3.997 -2.702) 4.825 20.591 ( 0.000 -1.864 -0.127) 1.868 20.594 ( 0.000 -2.042 -0.191) 2.051 20.817 ( 0.000 -3.293 0.100) 3.295 20.818 ( 0.000 -3.412 0.096) 3.414 26.448 ( 0.000 2.019 0.799) 2.172 26.521 ( 0.000 -1.476 -0.832) 1.694 26.776 ( 0.000 -8.478 0.055) 8.478 26.787 ( 0.000 -9.061 -0.175) 9.062 29.653 ( 0.000 2.556 2.263) 3.414 29.683 ( 0.000 1.255 3.309) 3.539 29.859 ( 0.000 -7.205 -2.293) 7.561 29.932 ( 0.000 -11.876 -2.387) 12.113 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 2.440 12.170 18.881) 22.595 2.485 ( -2.868 2.122 24.484) 24.743 2.667 ( 0.891 -6.028 22.148) 22.971 2.722 ( -0.879 -6.674 22.141) 23.142 3.733 ( 0.723 -2.215 -0.895) 2.496 3.876 ( 4.906 -7.126 -8.751) 12.305 4.067 ( -4.234 9.602 -9.298) 14.020 4.101 ( -2.793 9.393 -12.376) 15.786 4.698 ( 5.178 10.320 0.090) 11.547 4.744 ( 3.491 13.307 -5.834) 14.943 4.817 ( 0.202 6.278 -3.304) 7.097 4.862 ( -0.891 9.008 -5.102) 10.390 4.981 ( 1.135 9.670 0.313) 9.741 5.136 ( -2.969 8.142 -2.066) 8.909 5.224 ( -1.475 4.014 4.390) 6.129 5.500 ( 3.056 -9.427 -1.896) 10.090 5.658 ( 1.606 -8.996 2.727) 9.537 5.661 ( -0.753 -14.694 -3.639) 15.156 5.892 ( -4.026 -16.939 4.259) 17.924 6.109 ( 0.460 -20.644 -1.036) 20.675 6.932 ( 0.226 12.271 0.552) 12.286 7.006 ( 2.525 9.824 0.304) 10.148 7.137 ( -2.071 15.967 -0.578) 16.111 7.145 ( -3.225 12.188 0.176) 12.609 7.564 ( 1.332 7.089 -5.081) 8.823 7.675 ( -2.360 6.728 -3.366) 7.885 7.836 ( -1.821 5.989 -1.829) 6.521 7.842 ( -0.325 5.308 0.312) 5.327 8.586 ( 6.494 0.988 1.334) 6.703 8.699 ( 3.157 -2.947 -0.195) 4.323 8.832 ( -4.965 5.884 -1.117) 7.780 8.931 ( -2.040 1.381 0.085) 2.465 8.978 ( 2.720 1.690 4.968) 5.911 9.159 ( -3.983 -3.828 4.488) 7.117 9.303 ( -0.463 4.553 0.130) 4.579 9.408 ( 2.099 7.739 3.631) 8.803 9.466 ( -3.501 -1.178 1.756) 4.090 9.640 ( 2.744 5.280 -0.519) 5.972 9.679 ( -0.385 -1.961 0.241) 2.013 9.862 ( 0.706 -3.734 2.792) 4.715 10.608 ( 3.295 4.700 -2.399) 6.221 10.719 ( -1.433 3.843 1.740) 4.455 10.784 ( 0.197 -1.178 -4.827) 4.972 10.821 ( 2.461 -1.702 0.421) 3.022 11.040 ( 2.167 4.214 -3.381) 5.820 11.240 ( 1.340 -0.010 -0.921) 1.626 11.336 ( 4.441 -4.423 0.312) 6.276 11.418 ( 3.434 -4.561 -0.617) 5.743 11.619 ( -1.028 5.586 -3.692) 6.774 11.755 ( 0.298 -0.545 -5.099) 5.137 11.999 ( -4.531 6.288 0.361) 7.759 12.103 ( -5.822 1.918 -1.119) 6.231 12.977 ( 5.535 8.584 3.889) 10.929 13.178 ( -0.410 4.124 -0.717) 4.206 13.311 ( 4.370 2.943 1.697) 5.535 13.528 ( -2.758 -0.099 -7.206) 7.716 13.581 ( -1.790 -1.897 -3.579) 4.429 13.713 ( 3.019 -11.841 7.064) 14.115 14.007 ( -7.654 1.295 13.204) 15.317 14.134 ( -3.786 -4.949 14.790) 16.049 14.649 ( -0.233 1.017 -10.044) 10.098 14.819 ( 6.634 -5.550 -10.031) 13.245 15.083 ( -8.084 9.132 -8.503) 14.868 15.395 ( -7.609 -4.145 -15.435) 17.701 16.242 ( 2.647 6.798 1.791) 7.512 16.318 ( 5.482 4.200 0.856) 6.959 16.587 ( -0.648 1.860 11.995) 12.156 16.773 ( -2.953 -6.543 6.216) 9.496 17.299 ( 7.151 5.186 -0.477) 8.847 17.317 ( 6.860 3.314 -0.350) 7.626 17.689 ( -3.411 7.674 1.968) 8.625 17.897 ( -6.158 -2.846 -2.258) 7.149 20.612 ( 2.117 -2.003 -0.072) 2.915 20.616 ( 2.186 -2.161 -0.174) 3.078 20.795 ( -2.200 -3.139 0.104) 3.835 20.797 ( -2.103 -3.277 0.065) 3.894 26.487 ( 3.758 0.630 0.603) 3.858 26.545 ( 2.423 -2.042 -0.711) 3.247 26.751 ( -2.501 -7.599 0.054) 8.000 26.761 ( -2.645 -8.428 -0.180) 8.835 29.655 ( 0.191 2.505 2.345) 3.437 29.679 ( -0.425 1.486 3.159) 3.517 29.869 ( 0.921 -7.814 -2.247) 8.182 29.927 ( -0.504 -11.548 -2.355) 11.797 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 3.851 8.988 20.214) 22.455 2.417 ( -3.925 5.238 22.079) 23.029 2.683 ( 0.838 -6.855 23.245) 24.249 2.702 ( -1.068 -7.009 22.936) 24.007 3.805 ( 6.349 5.959 -0.568) 8.726 3.943 ( -4.923 8.032 -5.038) 10.683 3.967 ( 1.380 1.501 -9.742) 9.953 4.036 ( -3.654 4.887 -14.859) 16.063 4.747 ( 0.566 9.580 -4.783) 10.723 4.767 ( -1.256 8.027 -5.239) 9.668 4.859 ( 4.437 9.570 -5.668) 11.975 4.906 ( 0.990 7.747 -5.486) 9.544 5.001 ( 2.847 3.450 2.845) 5.301 5.075 ( -3.550 7.197 -0.147) 8.026 5.264 ( 6.170 4.847 1.853) 8.062 5.426 ( -8.561 -3.809 -3.866) 10.136 5.670 ( 1.252 -12.055 3.445) 12.600 5.691 ( -0.150 -16.713 5.624) 17.635 5.912 ( 6.460 -18.110 1.650) 19.299 6.053 ( -6.093 -21.025 -0.680) 21.900 6.956 ( 2.642 14.543 1.742) 14.883 7.035 ( -4.347 14.538 1.218) 15.223 7.066 ( 1.520 10.681 1.373) 10.876 7.108 ( -1.982 13.071 1.316) 13.286 7.613 ( 3.256 7.383 -6.256) 10.210 7.656 ( -0.665 7.413 -4.945) 8.936 7.772 ( -0.775 2.236 -7.935) 8.281 7.822 ( -3.595 1.996 -6.204) 7.443 8.703 ( 3.350 4.665 -0.804) 5.799 8.737 ( 0.113 4.542 1.290) 4.723 8.809 ( 3.527 2.930 1.018) 4.697 8.879 ( -2.729 -0.046 1.790) 3.264 9.080 ( 5.726 -1.313 6.600) 8.836 9.126 ( 2.340 -1.810 5.780) 6.493 9.201 ( -5.965 0.595 5.278) 7.987 9.313 ( -10.394 -3.281 3.647) 11.493 9.518 ( 6.741 9.364 2.391) 11.783 9.619 ( -3.328 8.594 1.333) 9.311 9.767 ( 5.230 -0.981 -0.730) 5.372 9.843 ( -2.568 -1.506 0.990) 3.137 10.660 ( 1.932 2.968 -1.053) 3.694 10.693 ( -1.513 2.120 -0.696) 2.696 10.807 ( 2.153 -2.928 -3.983) 5.392 10.841 ( -0.747 -3.781 -2.342) 4.510 11.130 ( 6.655 6.347 -2.838) 9.625 11.242 ( -3.062 4.673 -2.081) 5.962 11.403 ( 2.314 -3.409 1.242) 4.303 11.432 ( -1.146 -2.941 2.500) 4.027 11.712 ( 9.674 3.894 -6.303) 12.186 11.778 ( 2.390 0.897 -4.630) 5.288 11.891 ( -5.648 2.718 -1.626) 6.475 11.944 ( -9.938 1.031 -2.855) 10.391 13.097 ( 6.046 7.277 1.777) 9.626 13.176 ( -1.319 6.785 0.807) 6.959 13.365 ( 1.772 -2.367 -3.965) 4.946 13.432 ( -5.207 -2.150 -6.109) 8.311 13.623 ( 6.299 2.423 5.185) 8.511 13.771 ( -4.400 -0.026 12.196) 12.965 13.883 ( 2.330 -7.210 9.118) 11.855 14.021 ( -7.612 -8.229 12.684) 16.927 14.701 ( 5.814 6.120 -9.506) 12.713 14.858 ( -8.552 8.719 -10.194) 15.908 15.012 ( 7.821 -6.763 -9.526) 14.058 15.208 ( -10.819 -6.153 -12.890) 17.918 16.328 ( 5.278 7.746 3.437) 9.984 16.394 ( 0.190 6.870 3.700) 7.805 16.593 ( 2.839 -2.535 5.461) 6.657 16.688 ( -5.515 -5.083 4.006) 8.503 17.449 ( 7.720 4.947 1.132) 9.239 17.502 ( 10.300 3.642 -0.938) 10.965 17.598 ( -5.024 5.533 2.137) 7.773 17.732 ( -10.411 -0.159 -1.179) 10.479 20.668 ( 3.475 -2.336 0.025) 4.187 20.673 ( 3.478 -2.502 -0.105) 4.286 20.738 ( -3.519 -2.760 0.090) 4.473 20.742 ( -3.434 -2.931 -0.012) 4.515 26.580 ( 5.462 -2.607 0.159) 6.054 26.608 ( 3.791 -3.563 -0.480) 5.225 26.684 ( -4.388 -5.776 0.048) 7.253 26.690 ( -4.229 -6.201 -0.095) 7.506 29.660 ( 0.381 2.313 2.563) 3.473 29.669 ( -0.511 1.942 2.858) 3.493 29.890 ( 1.217 -9.194 -2.223) 9.537 29.912 ( -0.974 -10.596 -2.280) 10.882 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.507 ( 0.000 -10.366 23.522) 25.704 2.507 ( 0.000 10.366 23.522) 25.704 2.581 ( 0.000 -5.915 21.425) 22.227 2.581 ( 0.000 5.915 21.425) 22.227 3.680 ( 0.000 -0.642 -2.759) 2.833 3.680 ( 0.000 0.642 -2.759) 2.833 4.218 ( 0.000 -1.079 -13.073) 13.118 4.218 ( 0.000 1.079 -13.073) 13.118 4.853 ( 0.000 -2.689 -5.214) 5.867 4.853 ( 0.000 2.690 -5.214) 5.867 4.941 ( 0.000 -8.560 -6.012) 10.461 4.941 ( 0.000 8.560 -6.012) 10.461 5.171 ( 0.000 -11.900 5.751) 13.217 5.171 ( 0.000 11.900 5.751) 13.217 5.333 ( 0.000 -1.601 -2.269) 2.777 5.333 ( 0.000 1.601 -2.269) 2.777 5.567 ( 0.000 -15.496 1.907) 15.613 5.567 ( 0.000 15.496 1.907) 15.613 5.732 ( 0.000 -11.487 -0.605) 11.503 5.732 ( 0.000 11.487 -0.605) 11.503 7.062 ( 0.000 -1.328 -0.333) 1.370 7.062 ( 0.000 1.329 -0.333) 1.370 7.302 ( 0.000 -0.785 -3.869) 3.948 7.302 ( 0.000 0.785 -3.869) 3.948 7.725 ( 0.000 -6.110 -2.102) 6.461 7.725 ( 0.000 6.110 -2.102) 6.461 7.914 ( 0.000 -3.778 5.885) 6.994 7.914 ( 0.000 3.778 5.886) 6.994 8.560 ( 0.000 -3.603 0.508) 3.639 8.560 ( 0.000 3.603 0.508) 3.639 8.965 ( 0.000 -0.804 -1.617) 1.806 8.965 ( 0.000 0.804 -1.617) 1.806 9.073 ( 0.000 -7.627 1.859) 7.850 9.073 ( 0.000 7.627 1.859) 7.850 9.363 ( 0.000 -1.981 -0.985) 2.212 9.363 ( 0.000 1.981 -0.985) 2.212 9.652 ( 0.000 -2.794 5.931) 6.556 9.652 ( 0.000 2.795 5.931) 6.556 9.693 ( 0.000 -1.333 -2.112) 2.497 9.693 ( 0.000 1.333 -2.112) 2.497 10.690 ( 0.000 -5.977 -3.212) 6.786 10.690 ( 0.000 5.977 -3.212) 6.786 10.800 ( 0.000 -0.939 1.728) 1.967 10.800 ( 0.000 0.940 1.728) 1.967 11.128 ( 0.000 -6.661 -1.813) 6.904 11.128 ( 0.000 6.661 -1.813) 6.904 11.281 ( 0.000 -4.115 0.575) 4.155 11.281 ( 0.000 4.115 0.575) 4.155 11.724 ( 0.000 -2.771 -3.937) 4.814 11.724 ( 0.000 2.771 -3.937) 4.814 12.152 ( 0.000 -2.967 -0.180) 2.972 12.152 ( 0.000 2.967 -0.180) 2.972 13.099 ( 0.000 -7.814 -0.406) 7.824 13.099 ( 0.000 7.814 -0.406) 7.824 13.447 ( 0.000 -10.577 6.743) 12.544 13.447 ( 0.000 10.577 6.743) 12.544 13.565 ( 0.000 -1.192 -8.228) 8.313 13.565 ( 0.000 1.192 -8.228) 8.314 14.118 ( 0.000 -2.103 15.492) 15.634 14.118 ( 0.000 2.103 15.492) 15.634 14.663 ( 0.000 -1.464 -8.955) 9.074 14.663 ( 0.000 1.464 -8.955) 9.074 15.360 ( 0.000 -7.818 -14.429) 16.411 15.360 ( 0.000 7.818 -14.429) 16.411 16.295 ( 0.000 -0.576 1.029) 1.179 16.295 ( 0.000 0.576 1.029) 1.179 16.670 ( 0.000 -5.330 11.092) 12.306 16.670 ( 0.000 5.330 11.092) 12.306 17.282 ( 0.000 -0.299 -0.532) 0.611 17.282 ( 0.000 0.299 -0.532) 0.611 17.863 ( 0.000 -5.596 -0.443) 5.613 17.863 ( 0.000 5.596 -0.443) 5.614 20.573 ( 0.000 -0.072 -0.182) 0.196 20.573 ( 0.000 0.072 -0.182) 0.196 20.783 ( 0.000 -0.010 0.200) 0.201 20.783 ( 0.000 0.010 0.200) 0.201 26.488 ( 0.000 -1.807 0.032) 1.808 26.488 ( 0.000 1.807 0.032) 1.808 26.691 ( 0.000 -0.264 -0.068) 0.273 26.691 ( 0.000 0.264 -0.068) 0.273 29.740 ( 0.000 -5.074 -0.033) 5.074 29.740 ( 0.000 5.074 -0.033) 5.074 29.746 ( 0.000 -5.962 0.188) 5.965 29.746 ( 0.000 5.962 0.188) 5.965 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 0.364 -9.434 23.267) 25.110 2.510 ( 0.364 9.434 23.267) 25.110 2.571 ( -0.981 -5.827 21.686) 22.477 2.571 ( -0.981 5.827 21.686) 22.477 3.750 ( 6.764 -4.066 -3.880) 8.794 3.750 ( 6.764 4.066 -3.880) 8.794 4.180 ( -3.867 -1.642 -12.305) 13.002 4.180 ( -3.867 1.642 -12.305) 13.002 4.820 ( -1.241 -4.516 -3.339) 5.751 4.820 ( -1.241 4.516 -3.339) 5.751 4.970 ( 0.192 -6.642 -6.030) 8.974 4.970 ( 0.192 6.642 -6.030) 8.974 5.201 ( 3.192 -13.681 3.970) 14.599 5.201 ( 3.192 13.681 3.970) 14.599 5.335 ( 0.066 -3.700 -3.229) 4.912 5.335 ( 0.066 3.700 -3.229) 4.912 5.545 ( -1.259 -11.915 3.648) 12.524 5.545 ( -1.259 11.915 3.648) 12.524 5.716 ( -1.964 -13.709 -0.382) 13.854 5.716 ( -1.964 13.709 -0.382) 13.854 7.082 ( 1.997 -2.178 0.056) 2.956 7.082 ( 1.997 2.178 0.056) 2.956 7.281 ( -2.305 -1.048 -1.873) 3.149 7.281 ( -2.305 1.048 -1.873) 3.149 7.704 ( -1.056 -4.173 -3.947) 5.841 7.704 ( -1.056 4.174 -3.947) 5.841 7.890 ( -2.925 -0.153 1.028) 3.104 7.890 ( -2.924 0.153 1.028) 3.104 8.632 ( 6.588 -3.222 0.700) 7.367 8.632 ( 6.588 3.222 0.700) 7.367 8.912 ( -3.091 -2.261 0.706) 3.894 8.912 ( -3.091 2.261 0.706) 3.894 9.063 ( -1.117 -4.923 4.338) 6.656 9.063 ( -1.117 4.924 4.338) 6.656 9.393 ( -2.373 -4.026 -0.876) 4.755 9.393 ( -2.373 4.027 -0.876) 4.756 9.583 ( 1.187 -6.998 2.872) 7.657 9.583 ( 1.187 6.998 2.872) 7.657 9.768 ( 2.766 -5.686 0.405) 6.336 9.768 ( 2.766 5.686 0.405) 6.336 10.706 ( 1.371 -4.839 -2.828) 5.770 10.706 ( 1.370 4.840 -2.828) 5.770 10.783 ( -1.444 -2.648 1.099) 3.210 10.783 ( -1.444 2.648 1.099) 3.210 11.161 ( 3.653 -6.757 -2.314) 8.022 11.161 ( 3.653 6.757 -2.314) 8.022 11.332 ( 4.065 -3.471 1.169) 5.471 11.332 ( 4.065 3.471 1.169) 5.472 11.714 ( -0.300 -3.456 -5.333) 6.362 11.714 ( -0.300 3.456 -5.332) 6.362 12.095 ( -5.770 -2.753 -0.522) 6.414 12.095 ( -5.770 2.753 -0.522) 6.414 13.137 ( 3.666 -6.442 -0.842) 7.460 13.137 ( 3.666 6.442 -0.842) 7.460 13.452 ( -2.014 -9.245 3.646) 10.140 13.452 ( -2.014 9.245 3.646) 10.140 13.564 ( 2.589 -1.640 -2.964) 4.263 13.564 ( 2.589 1.640 -2.964) 4.263 14.052 ( -6.527 -3.105 14.466) 16.171 14.052 ( -6.527 3.105 14.466) 16.171 14.708 ( 4.685 -4.575 -9.222) 11.310 14.708 ( 4.685 4.575 -9.222) 11.310 15.269 ( -8.873 -8.106 -12.757) 17.527 15.269 ( -8.873 8.106 -12.757) 17.527 16.340 ( 4.637 -2.328 0.602) 5.223 16.340 ( 4.637 2.328 0.602) 5.223 16.651 ( -2.209 -4.966 9.601) 11.032 16.651 ( -2.209 4.966 9.601) 11.032 17.354 ( 6.947 -0.303 -0.035) 6.954 17.354 ( 6.947 0.303 -0.035) 6.954 17.818 ( -4.502 -5.016 -0.212) 6.743 17.818 ( -4.502 5.016 -0.212) 6.743 20.593 ( 2.009 -0.112 -0.137) 2.017 20.593 ( 2.009 0.112 -0.137) 2.017 20.763 ( -2.006 -0.050 0.172) 2.014 20.763 ( -2.006 0.050 0.172) 2.014 26.509 ( 2.111 -1.497 0.015) 2.588 26.509 ( 2.111 1.497 0.015) 2.588 26.673 ( -1.774 -0.192 -0.065) 1.785 26.673 ( -1.774 0.192 -0.065) 1.785 29.741 ( 0.080 -5.174 -0.012) 5.174 29.741 ( 0.080 5.174 -0.012) 5.174 29.745 ( -0.033 -5.892 0.167) 5.894 29.745 ( -0.033 5.892 0.167) 5.894 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 1.002 -7.517 22.781) 24.010 2.523 ( 1.002 7.517 22.781) 24.010 2.547 ( -1.352 -6.114 22.247) 23.112 2.547 ( -1.352 6.114 22.247) 23.112 3.911 ( 9.024 -4.152 -6.869) 12.077 3.911 ( 9.024 4.152 -6.869) 12.077 4.072 ( -7.190 -2.147 -10.128) 12.605 4.072 ( -7.190 2.147 -10.128) 12.605 4.838 ( 3.150 -2.471 -2.150) 4.544 4.838 ( 3.150 2.471 -2.150) 4.544 4.921 ( -4.501 -7.022 -3.208) 8.936 4.921 ( -4.501 7.022 -3.208) 8.936 5.272 ( 3.411 -11.178 -0.011) 11.687 5.272 ( 3.411 11.178 -0.011) 11.687 5.322 ( -1.680 -10.128 -2.838) 10.652 5.322 ( -1.680 10.128 -2.838) 10.651 5.563 ( 3.473 -12.818 3.704) 13.788 5.563 ( 3.473 12.819 3.704) 13.788 5.651 ( -4.604 -14.644 1.107) 15.391 5.651 ( -4.604 14.644 1.107) 15.391 7.138 ( 3.742 -2.964 0.913) 4.860 7.138 ( 3.742 2.964 0.913) 4.860 7.217 ( -4.036 -2.225 0.802) 4.677 7.217 ( -4.036 2.225 0.802) 4.678 7.719 ( 2.881 -2.005 -7.054) 7.878 7.719 ( 2.881 2.005 -7.054) 7.878 7.804 ( -5.277 -2.210 -5.589) 7.997 7.804 ( -5.277 2.210 -5.589) 7.997 8.768 ( 6.414 -1.407 1.476) 6.730 8.768 ( 6.414 1.407 1.477) 6.730 8.863 ( -3.263 -1.895 1.981) 4.261 8.863 ( -3.263 1.895 1.981) 4.261 9.083 ( 5.059 -1.631 6.799) 8.630 9.083 ( 5.059 1.632 6.799) 8.630 9.244 ( -9.892 -3.117 3.808) 11.049 9.244 ( -9.892 3.117 3.808) 11.049 9.690 ( 6.296 -6.386 0.286) 8.973 9.690 ( 6.296 6.387 0.286) 8.973 9.775 ( -2.119 -5.471 0.312) 5.875 9.775 ( -2.119 5.471 0.312) 5.876 10.731 ( 1.146 -3.821 -1.703) 4.337 10.731 ( 1.146 3.821 -1.703) 4.337 10.754 ( -1.364 -4.006 -0.230) 4.238 10.754 ( -1.364 4.007 -0.230) 4.239 11.264 ( 6.348 -5.805 -2.511) 8.961 11.264 ( 6.348 5.805 -2.511) 8.961 11.363 ( -2.370 -3.374 -0.233) 4.130 11.363 ( -2.370 3.374 -0.233) 4.130 11.768 ( 6.803 -1.719 -5.015) 8.624 11.768 ( 6.803 1.719 -5.015) 8.624 11.941 ( -9.535 -1.617 -2.065) 9.890 11.941 ( -9.535 1.617 -2.065) 9.890 13.231 ( 5.822 -4.641 -1.871) 7.677 13.231 ( 5.822 4.641 -1.871) 7.677 13.354 ( -6.546 -4.540 -2.064) 8.229 13.354 ( -6.546 4.540 -2.064) 8.229 13.693 ( 9.344 -4.651 7.667) 12.951 13.693 ( 9.344 4.651 7.667) 12.951 13.887 ( -9.952 -4.709 12.115) 16.370 13.887 ( -9.952 4.709 12.115) 16.370 14.845 ( 9.365 -7.519 -9.999) 15.627 14.845 ( 9.365 7.519 -9.999) 15.627 15.056 ( -11.920 -8.424 -10.971) 18.260 15.056 ( -11.920 8.425 -10.971) 18.260 16.457 ( 6.753 -3.732 2.180) 8.018 16.457 ( 6.753 3.732 2.180) 8.018 16.578 ( -5.288 -4.401 5.950) 9.096 16.578 ( -5.288 4.401 5.950) 9.096 17.521 ( 9.465 -1.632 0.487) 9.617 17.521 ( 9.465 1.632 0.487) 9.617 17.695 ( -8.051 -3.496 0.280) 8.781 17.695 ( -8.051 3.496 0.280) 8.781 20.646 ( 3.249 -0.140 -0.028) 3.252 20.646 ( 3.249 0.140 -0.028) 3.252 20.710 ( -3.247 -0.111 0.089) 3.250 20.710 ( -3.247 0.111 0.089) 3.250 26.563 ( 3.236 -0.796 -0.021) 3.332 26.563 ( 3.236 0.796 -0.021) 3.332 26.625 ( -3.028 -0.158 -0.051) 3.032 26.625 ( -3.028 0.158 -0.051) 3.032 29.743 ( 0.106 -5.419 0.044) 5.420 29.743 ( 0.106 5.419 0.044) 5.420 29.744 ( -0.077 -5.693 0.112) 5.695 29.744 ( -0.077 5.693 0.112) 5.695 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.000 0.000 28.554) 28.554 1.396 ( 0.000 0.000 17.721) 17.721 1.648 ( 0.000 0.000 -10.003) 10.003 1.756 ( 0.000 0.000 40.651) 40.651 1.772 ( 0.000 0.000 -25.809) 25.809 2.546 ( 0.000 0.000 -35.800) 35.800 2.878 ( 0.000 0.000 6.745) 6.745 3.016 ( 0.000 0.000 -6.489) 6.489 3.589 ( 0.000 0.000 12.701) 12.701 3.617 ( 0.000 0.000 11.093) 11.093 3.666 ( 0.000 0.000 12.864) 12.864 3.824 ( 0.000 0.000 -10.265) 10.265 3.870 ( 0.000 0.000 23.529) 23.529 4.146 ( 0.000 0.000 19.014) 19.014 4.389 ( 0.000 0.000 -23.109) 23.109 4.516 ( 0.000 0.000 9.031) 9.031 4.527 ( 0.000 0.000 3.610) 3.610 4.591 ( 0.000 0.000 -2.618) 2.618 4.779 ( 0.000 0.000 -28.482) 28.482 4.858 ( 0.000 0.000 -17.648) 17.648 6.141 ( 0.000 0.000 6.260) 6.260 6.234 ( 0.000 0.000 -2.260) 2.260 7.080 ( 0.000 0.000 4.313) 4.313 7.094 ( 0.000 0.000 3.607) 3.607 7.306 ( 0.000 0.000 6.303) 6.303 7.403 ( 0.000 0.000 5.941) 5.941 7.452 ( 0.000 0.000 -7.747) 7.747 7.537 ( 0.000 0.000 16.650) 16.650 7.538 ( 0.000 0.000 -6.969) 6.969 7.848 ( 0.000 0.000 -11.439) 11.439 8.242 ( 0.000 0.000 -3.562) 3.562 8.327 ( 0.000 0.000 -9.429) 9.429 8.774 ( 0.000 0.000 6.936) 6.936 8.901 ( 0.000 0.000 -5.305) 5.305 8.928 ( 0.000 0.000 5.841) 5.841 9.035 ( 0.000 0.000 -4.408) 4.408 9.393 ( 0.000 0.000 6.741) 6.741 9.474 ( 0.000 0.000 -1.603) 1.603 9.615 ( 0.000 0.000 7.415) 7.415 9.781 ( 0.000 0.000 -8.540) 8.540 9.828 ( 0.000 0.000 8.922) 8.922 10.156 ( 0.000 0.000 -21.956) 21.956 10.164 ( 0.000 0.000 0.976) 0.976 10.180 ( 0.000 0.000 -0.686) 0.686 10.673 ( 0.000 0.000 16.070) 16.070 10.983 ( 0.000 0.000 -13.689) 13.689 11.421 ( 0.000 0.000 6.846) 6.846 11.593 ( 0.000 0.000 -9.730) 9.730 11.788 ( 0.000 0.000 1.619) 1.619 11.817 ( 0.000 0.000 -1.177) 1.177 11.858 ( 0.000 0.000 6.487) 6.487 11.952 ( 0.000 0.000 -2.361) 2.361 12.786 ( 0.000 0.000 -0.053) 0.053 12.787 ( 0.000 0.000 -0.103) 0.103 13.070 ( 0.000 0.000 24.537) 24.537 13.485 ( 0.000 0.000 -15.201) 15.201 14.028 ( 0.000 0.000 13.508) 13.508 14.374 ( 0.000 0.000 -21.160) 21.160 14.412 ( 0.000 0.000 16.257) 16.257 14.647 ( 0.000 0.000 7.090) 7.090 14.786 ( 0.000 0.000 -5.759) 5.759 14.789 ( 0.000 0.000 -18.607) 18.607 15.048 ( 0.000 0.000 1.077) 1.077 15.071 ( 0.000 0.000 -1.076) 1.076 15.126 ( 0.000 0.000 0.712) 0.712 15.140 ( 0.000 0.000 -0.655) 0.655 16.272 ( 0.000 0.000 17.481) 17.481 16.414 ( 0.000 0.000 5.666) 5.666 16.560 ( 0.000 0.000 -3.717) 3.717 16.664 ( 0.000 0.000 -15.197) 15.197 17.390 ( 0.000 0.000 3.736) 3.736 17.454 ( 0.000 0.000 -2.136) 2.136 21.129 ( 0.000 0.000 1.134) 1.134 21.149 ( 0.000 0.000 -0.776) 0.776 21.444 ( 0.000 0.000 0.902) 0.902 21.470 ( 0.000 0.000 -1.497) 1.497 26.411 ( 0.000 0.000 6.326) 6.326 26.542 ( 0.000 0.000 -6.070) 6.070 28.557 ( 0.000 0.000 1.082) 1.082 28.642 ( 0.000 0.000 -6.538) 6.538 30.478 ( 0.000 0.000 23.011) 23.011 30.899 ( 0.000 0.000 -17.646) 17.646 31.987 ( 0.000 0.000 1.988) 1.988 32.027 ( 0.000 0.000 -1.763) 1.763 ======================= Grid point 151 (50/72) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -4.884 0.000 23.087) 23.598 1.359 ( 13.519 0.000 23.752) 27.330 1.591 ( -3.530 0.000 -16.587) 16.958 1.833 ( 5.429 0.000 -22.221) 22.874 2.231 ( 31.435 0.000 20.970) 37.788 2.674 ( 7.070 0.000 -22.141) 23.242 2.738 ( -12.391 0.000 6.826) 14.147 2.877 ( -11.938 0.000 -6.130) 13.420 3.338 ( -12.906 0.000 13.434) 18.629 3.427 ( -19.423 0.000 1.550) 19.485 3.694 ( 8.235 0.000 8.982) 12.186 3.864 ( 3.038 0.000 -7.407) 8.006 3.987 ( 3.908 0.000 17.675) 18.102 4.142 ( -7.885 0.000 13.205) 15.380 4.448 ( -1.910 0.000 -0.352) 1.942 4.529 ( 0.272 0.000 2.940) 2.952 4.555 ( 16.678 0.000 5.921) 17.698 4.585 ( -0.703 0.000 -2.391) 2.492 4.947 ( 12.907 0.000 -20.978) 24.630 5.023 ( 14.867 0.000 -20.079) 24.984 5.979 ( -18.773 0.000 14.117) 23.489 6.085 ( -8.062 0.000 5.276) 9.635 6.740 ( -24.135 0.000 0.064) 24.135 6.909 ( -21.444 0.000 -14.596) 25.940 7.313 ( 0.788 0.000 6.269) 6.319 7.391 ( -1.106 0.000 5.887) 5.990 7.459 ( 0.760 0.000 -7.590) 7.628 7.528 ( -0.910 0.000 -7.063) 7.121 7.541 ( 4.159 0.000 23.228) 23.597 7.948 ( 10.869 0.000 -12.816) 16.804 8.154 ( -7.371 0.000 8.582) 11.313 8.432 ( 4.271 0.000 -14.256) 14.883 8.783 ( 0.855 0.000 6.437) 6.493 8.870 ( -1.884 0.000 0.053) 1.885 8.971 ( 2.876 0.000 0.917) 3.018 9.041 ( 0.504 0.000 -3.884) 3.916 9.463 ( 7.641 0.000 10.669) 13.123 9.649 ( 3.381 0.000 6.018) 6.903 9.652 ( 10.174 0.000 -5.973) 11.798 9.789 ( 0.701 0.000 -7.394) 7.428 9.944 ( 9.216 0.000 2.128) 9.458 10.126 ( -3.625 0.000 1.009) 3.763 10.145 ( -3.384 0.000 -0.888) 3.498 10.187 ( 2.039 0.000 -17.879) 17.995 10.688 ( 2.368 0.000 13.788) 13.990 10.951 ( -3.133 0.000 -10.127) 10.600 11.430 ( 0.820 0.000 2.904) 3.018 11.520 ( -4.608 0.000 -6.145) 7.681 11.797 ( 0.829 0.000 1.328) 1.566 11.820 ( 0.242 0.000 -0.894) 0.926 11.971 ( 6.133 0.000 2.999) 6.827 12.031 ( 9.138 0.000 -2.848) 9.571 12.786 ( 0.010 0.000 -0.061) 0.062 12.787 ( -0.000 0.000 -0.101) 0.101 12.852 ( -13.653 0.000 23.493) 27.172 13.299 ( -16.538 0.000 -18.890) 25.106 14.157 ( 5.670 0.000 9.274) 10.870 14.260 ( -6.378 0.000 5.753) 8.589 14.527 ( 7.350 0.000 -7.716) 10.656 14.639 ( -0.846 0.000 -6.718) 6.771 14.868 ( 14.196 0.000 -0.408) 14.202 14.975 ( 10.629 0.000 -8.472) 13.592 15.055 ( 0.654 0.000 1.037) 1.226 15.077 ( 0.531 0.000 -1.027) 1.157 15.120 ( -0.579 0.000 0.745) 0.943 15.135 ( -0.536 0.000 -0.697) 0.879 16.067 ( -18.332 0.000 10.489) 21.120 16.234 ( -19.034 0.000 -4.953) 19.668 16.461 ( 2.226 0.000 13.715) 13.895 16.722 ( 0.407 0.000 -8.774) 8.783 17.521 ( 9.464 0.000 3.164) 9.979 17.585 ( 9.439 0.000 -2.433) 9.748 21.144 ( 1.513 0.000 1.720) 2.290 21.177 ( 2.659 0.000 -1.482) 3.045 21.406 ( -3.569 0.000 0.933) 3.689 21.430 ( -3.535 0.000 -1.323) 3.774 26.749 ( 20.122 0.000 -1.954) 20.216 26.771 ( 31.771 0.000 -6.220) 32.374 28.354 ( -18.202 0.000 5.143) 18.915 28.529 ( -12.787 0.000 -11.993) 17.531 30.528 ( 4.785 0.000 21.577) 22.101 30.887 ( -1.996 0.000 -12.853) 13.007 31.821 ( -9.775 0.000 11.497) 15.091 32.005 ( -5.612 0.000 -7.444) 9.322 ======================= Grid point 152 (51/72) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 14.279 0.000 8.537) 16.636 1.534 ( -5.107 0.000 -11.426) 12.516 1.674 ( 16.902 0.000 12.975) 21.308 1.895 ( -2.838 0.000 -7.152) 7.695 2.532 ( -4.377 0.000 1.241) 4.549 2.558 ( -2.210 0.000 1.326) 2.577 2.626 ( -6.965 0.000 -6.574) 9.577 2.631 ( -11.657 0.000 -6.937) 13.565 3.291 ( 15.209 0.000 9.808) 18.097 3.463 ( 19.270 0.000 -4.319) 19.748 3.750 ( -20.654 0.000 11.724) 23.750 3.837 ( 5.667 0.000 3.977) 6.923 3.897 ( -0.422 0.000 -1.732) 1.783 3.923 ( -19.022 0.000 -5.195) 19.718 4.541 ( 1.016 0.000 0.883) 1.346 4.565 ( -1.257 0.000 -1.323) 1.825 4.610 ( 19.628 0.000 29.264) 35.237 4.883 ( 8.028 0.000 17.464) 19.221 5.122 ( -6.595 0.000 6.507) 9.264 5.159 ( 2.245 0.000 -5.651) 6.080 5.765 ( 9.893 0.000 -4.732) 10.966 6.092 ( 9.976 0.000 -12.793) 16.223 6.225 ( -27.684 0.000 -7.751) 28.748 6.456 ( -22.581 0.000 -19.733) 29.988 7.335 ( 1.390 0.000 6.166) 6.321 7.364 ( -1.571 0.000 6.005) 6.207 7.479 ( 1.261 0.000 -7.443) 7.549 7.505 ( -1.363 0.000 -7.264) 7.391 7.707 ( 11.610 0.000 22.545) 25.359 7.943 ( -11.744 0.000 12.303) 17.008 8.217 ( 12.845 0.000 -10.275) 16.450 8.412 ( -6.243 0.000 -16.362) 17.512 8.805 ( 1.408 0.000 4.989) 5.184 8.835 ( -1.676 0.000 2.769) 3.237 9.022 ( 2.067 0.000 -0.987) 2.291 9.045 ( -0.346 0.000 -2.612) 2.635 9.644 ( 9.809 0.000 12.627) 15.989 9.733 ( 4.677 0.000 2.390) 5.252 9.764 ( -0.243 0.000 6.874) 6.879 9.794 ( -1.006 0.000 -3.370) 3.517 10.057 ( -2.199 0.000 0.288) 2.218 10.068 ( 4.988 0.000 -10.712) 11.816 10.072 ( -3.269 0.000 -1.139) 3.462 10.172 ( -4.195 0.000 -13.759) 14.384 10.773 ( 5.493 0.000 7.956) 9.668 10.873 ( -4.723 0.000 -0.106) 4.724 11.443 ( 0.547 0.000 -4.581) 4.613 11.461 ( -1.547 0.000 -7.032) 7.200 11.814 ( 0.760 0.000 0.625) 0.984 11.823 ( -0.116 0.000 -0.200) 0.231 12.084 ( 5.615 0.000 6.555) 8.631 12.152 ( 0.390 0.000 2.248) 2.281 12.759 ( 5.491 0.000 6.667) 8.637 12.787 ( 0.012 0.000 -0.078) 0.079 12.787 ( -0.006 0.000 -0.094) 0.094 12.981 ( -15.044 0.000 -11.754) 19.091 14.124 ( -0.987 0.000 0.015) 0.988 14.180 ( -5.422 0.000 -3.863) 6.657 14.655 ( 5.552 0.000 -0.591) 5.584 14.690 ( 1.868 0.000 -2.482) 3.107 15.072 ( 0.970 0.000 0.831) 1.277 15.085 ( -0.061 0.000 -0.263) 0.270 15.110 ( -0.039 0.000 0.176) 0.180 15.115 ( 10.632 0.000 0.896) 10.670 15.121 ( -0.826 0.000 -0.686) 1.074 15.180 ( 6.923 0.000 -4.555) 8.287 15.762 ( -8.326 0.000 4.584) 9.505 15.868 ( -16.018 0.000 -5.333) 16.882 16.560 ( 6.539 0.000 13.732) 15.209 16.677 ( -4.712 0.000 3.956) 6.152 17.669 ( 5.232 0.000 -0.132) 5.234 17.705 ( 2.038 0.000 -2.863) 3.514 21.190 ( 3.106 0.000 1.709) 3.545 21.225 ( 1.040 0.000 -1.664) 1.962 21.335 ( -2.198 0.000 1.217) 2.512 21.359 ( -3.328 0.000 -1.087) 3.501 27.224 ( 25.932 0.000 3.633) 26.185 27.388 ( 23.026 0.000 -13.287) 26.585 27.965 ( -15.448 0.000 2.983) 15.734 28.168 ( -22.883 0.000 -16.511) 28.218 30.648 ( 7.306 0.000 16.426) 17.977 30.795 ( -7.197 0.000 3.510) 8.007 31.737 ( 1.867 0.000 5.019) 5.355 31.853 ( -8.495 0.000 -5.562) 10.154 ======================= Grid point 155 (52/72) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 5.503 18.160) 18.976 1.477 ( 0.000 -3.962 -14.692) 15.217 1.864 ( 0.000 12.001 33.051) 35.162 1.998 ( 0.000 41.113 11.824) 42.780 2.316 ( 0.000 36.300 -10.598) 37.815 2.648 ( 0.000 10.793 -31.763) 33.547 3.133 ( 0.000 22.610 6.424) 23.504 3.261 ( 0.000 21.026 -5.928) 21.846 3.586 ( 0.000 -1.775 8.853) 9.029 3.621 ( 0.000 -1.039 11.479) 11.526 3.741 ( 0.000 10.643 13.563) 17.240 3.821 ( 0.000 3.590 15.255) 15.672 4.065 ( 0.000 13.937 3.153) 14.289 4.149 ( 0.000 0.718 15.008) 15.025 4.444 ( 0.000 -1.905 10.276) 10.451 4.470 ( 0.000 9.075 -20.385) 22.314 4.672 ( 0.000 6.335 -10.435) 12.208 4.735 ( 0.000 8.382 -12.124) 14.739 4.816 ( 0.000 8.630 -13.471) 15.998 4.896 ( 0.000 9.322 -10.899) 14.342 5.943 ( 0.000 -12.618 19.877) 23.544 6.196 ( 0.000 -2.963 -5.274) 6.050 6.899 ( 0.000 -8.491 -0.723) 8.522 6.903 ( 0.000 -11.212 -0.090) 11.213 7.212 ( 0.000 -5.611 20.519) 21.272 7.513 ( 0.000 -0.976 -9.663) 9.712 7.553 ( 0.000 12.906 6.279) 14.352 7.695 ( 0.000 13.378 -6.827) 15.020 7.991 ( 0.000 11.620 -0.986) 11.662 8.024 ( 0.000 24.821 -6.684) 25.705 8.172 ( 0.000 -3.994 -4.148) 5.758 8.268 ( 0.000 -4.971 -10.589) 11.698 8.901 ( 0.000 12.011 7.436) 14.127 9.027 ( 0.000 11.707 -4.639) 12.593 9.093 ( 0.000 14.674 5.452) 15.654 9.204 ( 0.000 14.668 -5.551) 15.683 9.361 ( 0.000 -2.119 5.601) 5.989 9.417 ( 0.000 -5.101 -0.193) 5.105 9.616 ( 0.000 0.171 7.075) 7.077 9.768 ( 0.000 -1.133 -7.301) 7.388 9.827 ( 0.000 0.029 8.641) 8.642 10.156 ( 0.000 0.173 -21.697) 21.697 10.169 ( 0.000 0.311 0.405) 0.511 10.187 ( 0.000 0.489 -1.793) 1.859 10.681 ( 0.000 0.923 14.748) 14.777 10.974 ( 0.000 -0.936 -13.077) 13.111 11.436 ( 0.000 1.103 6.893) 6.981 11.530 ( 0.000 -11.565 10.343) 15.515 11.588 ( 0.000 -0.770 -7.954) 7.991 11.678 ( 0.000 -8.263 -4.593) 9.454 12.052 ( 0.000 4.895 0.637) 4.937 12.085 ( 0.000 9.158 -3.511) 9.808 12.716 ( 0.000 -5.602 2.431) 6.107 12.743 ( 0.000 -3.515 -0.942) 3.639 13.098 ( 0.000 2.071 21.378) 21.478 13.458 ( 0.000 -1.840 -11.958) 12.099 13.979 ( 0.000 -3.800 12.167) 12.747 14.276 ( 0.000 -7.157 -16.324) 17.824 14.397 ( 0.000 -1.225 14.869) 14.919 14.584 ( 0.000 -2.499 6.753) 7.200 14.743 ( 0.000 -1.974 -7.654) 7.905 14.743 ( 0.000 -3.653 -17.165) 17.550 15.123 ( 0.000 2.785 0.329) 2.804 15.141 ( 0.000 4.238 -0.948) 4.342 15.271 ( 0.000 11.278 0.413) 11.286 15.282 ( 0.000 12.605 -0.855) 12.634 16.288 ( 0.000 0.945 16.298) 16.326 16.467 ( 0.000 1.704 -2.350) 2.903 16.665 ( 0.000 10.296 3.061) 10.741 16.918 ( 0.000 23.114 -21.961) 31.883 17.375 ( 0.000 -1.466 3.418) 3.719 17.433 ( 0.000 -2.027 -1.887) 2.769 21.090 ( 0.000 -3.674 0.998) 3.807 21.108 ( 0.000 -3.892 -0.668) 3.949 21.407 ( 0.000 -3.551 0.946) 3.675 21.433 ( 0.000 -3.540 -1.512) 3.850 26.411 ( 0.000 -0.021 6.109) 6.109 26.537 ( 0.000 -0.422 -5.891) 5.906 28.457 ( 0.000 -9.571 1.147) 9.640 28.533 ( 0.000 -10.412 -5.743) 11.890 30.404 ( 0.000 -6.930 22.317) 23.368 30.815 ( 0.000 -7.965 -17.295) 19.041 31.569 ( 0.000 -33.488 18.658) 38.335 31.812 ( 0.000 -19.299 -7.403) 20.670 ======================= Grid point 156 (53/72) ======================= q-point: ( 0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 6.633 8.706 15.867) 19.276 1.515 ( 4.012 -0.247 -15.296) 15.815 1.835 ( 5.048 30.187 22.936) 38.246 2.214 ( 5.909 26.157 -10.408) 28.765 2.454 ( 18.208 25.018 7.398) 31.815 2.749 ( 3.809 8.180 -17.844) 19.996 2.991 ( -12.056 21.476 6.125) 25.379 3.117 ( -12.519 19.988 -5.329) 24.179 3.341 ( -8.384 2.152 8.528) 12.151 3.416 ( -17.902 1.093 1.407) 17.991 3.835 ( 5.841 10.056 9.232) 14.848 3.916 ( 5.091 3.368 8.555) 10.510 4.144 ( 2.251 16.898 4.386) 17.602 4.167 ( -2.431 3.994 14.251) 14.998 4.396 ( -2.404 -2.632 7.355) 8.173 4.576 ( 13.148 5.199 0.722) 14.157 4.700 ( 1.732 12.665 0.181) 12.785 4.770 ( 2.236 14.010 -7.036) 15.836 4.951 ( 11.481 3.073 -17.777) 21.384 5.030 ( 13.305 2.786 -18.513) 22.967 5.846 ( -10.962 -8.545 20.277) 24.583 6.060 ( -8.693 -1.312 1.753) 8.965 6.654 ( -19.465 -5.885 -2.331) 20.468 6.772 ( -16.156 -8.320 -13.998) 22.939 7.265 ( 5.342 -6.259 17.578) 19.409 7.498 ( -1.183 3.926 -2.993) 5.077 7.627 ( 3.247 13.206 -1.537) 13.686 7.709 ( -0.740 15.785 -6.122) 16.947 7.794 ( -11.147 14.243 4.910) 18.741 7.974 ( 5.083 3.746 -5.871) 8.621 8.152 ( -5.075 2.902 4.570) 7.420 8.380 ( 4.660 -3.619 -12.859) 14.148 8.910 ( 0.956 11.860 6.738) 13.673 9.002 ( -1.876 12.103 -0.761) 12.271 9.123 ( 2.306 13.659 2.030) 14.000 9.196 ( -0.183 13.484 -3.923) 14.044 9.413 ( 7.346 -4.343 10.600) 13.608 9.600 ( 10.241 -4.085 -6.526) 12.812 9.648 ( 3.201 -0.248 5.525) 6.391 9.778 ( 0.905 -0.872 -6.269) 6.394 9.928 ( 7.677 -1.276 4.909) 9.201 10.114 ( -3.334 -1.154 -2.347) 4.237 10.151 ( -3.221 0.767 -1.678) 3.712 10.209 ( 1.882 1.723 -16.236) 16.435 10.697 ( 2.472 0.998 12.791) 13.066 10.949 ( -2.377 -0.130 -10.047) 10.326 11.440 ( 0.316 0.072 4.142) 4.155 11.494 ( -2.093 -3.910 1.799) 4.786 11.604 ( 0.618 -7.589 -1.419) 7.745 11.660 ( -1.704 -9.981 -2.915) 10.537 12.101 ( 5.176 5.925 2.919) 8.392 12.190 ( 9.117 7.798 -6.391) 13.593 12.664 ( -5.921 -6.384 7.190) 11.292 12.732 ( -1.523 -4.326 -1.610) 4.860 12.964 ( -6.846 5.949 14.932) 17.470 13.309 ( -13.385 0.856 -15.635) 20.600 14.095 ( 8.250 -5.630 12.413) 15.932 14.242 ( -8.479 -1.048 5.312) 10.060 14.402 ( 5.919 -8.765 -4.379) 11.447 14.597 ( -2.093 -3.266 -10.335) 11.039 14.760 ( 10.660 -4.700 2.650) 11.947 14.911 ( 7.944 -3.114 -9.042) 12.432 15.102 ( -1.971 0.822 0.959) 2.341 15.138 ( -0.486 3.032 -1.907) 3.615 15.286 ( 2.116 12.749 1.190) 12.978 15.315 ( 3.422 14.478 -1.853) 14.992 16.197 ( -12.784 8.059 4.890) 15.884 16.261 ( -16.836 2.220 -0.984) 17.011 16.559 ( -2.737 9.184 12.491) 15.743 16.862 ( -4.085 14.132 -14.238) 20.473 17.506 ( 8.983 -1.347 3.051) 9.582 17.565 ( 9.257 -1.866 -2.180) 9.691 21.107 ( 1.761 -3.484 1.543) 4.198 21.137 ( 2.745 -3.813 -1.325) 4.882 21.367 ( -3.609 -3.608 1.000) 5.200 21.392 ( -3.687 -3.566 -1.332) 5.300 26.734 ( 19.016 -1.456 -2.142) 19.192 26.740 ( 29.635 -2.796 -4.396) 30.089 28.262 ( -17.512 -8.789 5.041) 20.231 28.425 ( -12.413 -10.007 -10.929) 19.330 30.446 ( 4.012 -7.607 21.098) 22.783 30.784 ( -3.568 -9.694 -9.993) 14.372 31.525 ( -2.177 -25.358 16.197) 30.168 31.780 ( -3.914 -19.204 -9.038) 21.582 ======================= Grid point 157 (54/72) ======================= q-point: ( 0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 14.622 10.526 7.086) 19.360 1.589 ( 0.049 6.707 -8.256) 10.637 2.031 ( 12.978 29.228 12.260) 34.249 2.230 ( -4.848 27.688 -5.453) 28.633 2.606 ( -5.249 6.414 2.908) 8.783 2.655 ( -7.082 5.551 -3.976) 9.837 2.796 ( -5.708 19.890 -3.054) 20.917 2.874 ( -10.673 20.224 -7.839) 24.174 3.332 ( 15.677 5.540 9.163) 18.985 3.512 ( 19.564 6.053 -6.559) 21.504 3.734 ( -17.653 0.293 10.660) 20.625 3.893 ( -12.530 0.500 -3.922) 13.139 4.067 ( 1.380 19.306 3.114) 19.604 4.112 ( -3.691 18.171 -0.988) 18.568 4.594 ( 18.134 1.144 28.262) 33.599 4.717 ( 0.410 13.140 4.005) 13.743 4.753 ( 3.269 15.670 1.200) 16.052 4.893 ( 6.265 3.768 13.340) 15.212 5.133 ( -4.377 1.317 4.237) 6.233 5.142 ( 0.379 0.011 -4.349) 4.365 5.732 ( 11.540 -1.392 -5.424) 12.827 6.061 ( 7.454 -2.339 -16.624) 18.368 6.191 ( -24.070 -2.298 -4.522) 24.599 6.403 ( -19.979 -4.029 -17.758) 27.033 7.371 ( 4.904 -2.900 8.489) 10.224 7.453 ( -3.579 2.277 0.114) 4.243 7.624 ( -1.208 14.980 -1.508) 15.104 7.634 ( -2.671 12.904 0.883) 13.207 7.809 ( 8.143 9.299 10.740) 16.374 7.995 ( -9.814 6.533 9.373) 15.061 8.182 ( 12.080 -2.542 -10.119) 15.961 8.367 ( -5.885 -3.444 -14.658) 16.167 8.934 ( 1.487 11.873 5.169) 13.034 8.966 ( -1.752 12.014 2.812) 12.462 9.167 ( 1.925 12.986 -0.757) 13.150 9.191 ( -0.622 12.943 -2.634) 13.223 9.596 ( 10.123 -4.161 11.866) 16.143 9.712 ( 0.809 -2.707 5.280) 5.989 9.732 ( 3.758 -1.743 1.631) 4.452 9.786 ( -1.114 -0.831 -2.192) 2.596 10.013 ( 1.483 -2.466 -0.956) 3.032 10.048 ( -2.852 -1.497 -0.985) 3.368 10.105 ( 0.865 1.652 -7.363) 7.595 10.186 ( -4.448 1.366 -14.252) 14.993 10.787 ( 5.813 1.467 7.360) 9.493 10.887 ( -4.197 1.439 -0.484) 4.463 11.449 ( 0.963 -0.545 -3.152) 3.341 11.471 ( -0.900 1.083 -5.387) 5.568 11.607 ( 0.130 -12.623 2.086) 12.795 11.624 ( -1.588 -12.929 0.362) 13.031 12.230 ( 7.356 7.918 5.818) 12.274 12.329 ( 0.660 11.104 -1.189) 11.187 12.568 ( 0.990 -10.703 2.911) 11.136 12.668 ( -5.318 -7.837 -4.316) 10.408 12.938 ( 3.180 6.991 3.764) 8.553 13.066 ( -10.035 5.393 -7.718) 13.761 14.113 ( -1.861 -1.025 1.267) 2.474 14.143 ( -3.574 -3.523 0.282) 5.027 14.523 ( 7.000 -9.646 2.923) 12.271 14.604 ( -0.665 -7.166 -2.775) 7.714 14.941 ( 6.939 -5.503 1.692) 9.016 15.018 ( 0.675 -4.272 -1.012) 4.442 15.068 ( 0.654 -1.222 -3.357) 3.632 15.114 ( -2.073 0.307 -3.822) 4.359 15.370 ( 5.782 14.907 0.479) 15.996 15.400 ( 3.851 16.944 -2.686) 17.582 15.911 ( -10.495 10.062 -0.082) 14.539 15.947 ( -12.896 6.415 -3.123) 14.739 16.624 ( 6.794 6.479 13.685) 16.595 16.761 ( -6.522 8.449 1.671) 10.804 17.645 ( 4.935 -2.311 -0.038) 5.449 17.680 ( 1.865 -2.401 -2.688) 4.058 21.159 ( 3.351 -3.011 1.553) 4.765 21.191 ( 1.680 -3.274 -1.575) 4.003 21.293 ( -2.714 -3.953 1.213) 4.947 21.316 ( -3.640 -4.031 -1.014) 5.525 27.187 ( 24.931 -3.504 3.131) 25.370 27.332 ( 23.436 -5.320 -11.898) 26.816 27.881 ( -16.012 -7.904 3.653) 18.226 28.071 ( -22.538 -9.221 -14.865) 28.530 30.546 ( 6.173 -9.168 16.765) 20.080 30.677 ( -6.874 -10.707 6.316) 14.205 31.547 ( 4.466 -17.216 3.654) 18.157 31.667 ( -6.967 -16.825 -6.646) 19.385 ======================= Grid point 160 (55/72) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.000 19.975 3.204) 20.230 1.496 ( 0.000 5.543 -5.977) 8.152 2.229 ( 0.000 22.947 27.833) 36.073 2.727 ( 0.000 24.852 -16.215) 29.674 3.074 ( 0.000 30.867 -7.912) 31.865 3.079 ( 0.000 34.936 -6.326) 35.504 3.459 ( 0.000 -1.718 6.403) 6.630 3.483 ( 0.000 1.488 12.614) 12.701 3.773 ( 0.000 22.478 7.500) 23.696 3.821 ( 0.000 20.004 4.511) 20.506 3.964 ( 0.000 9.032 7.068) 11.469 4.052 ( 0.000 22.063 9.716) 24.107 4.226 ( 0.000 8.781 6.431) 10.884 4.254 ( 0.000 4.803 13.907) 14.713 4.511 ( 0.000 4.841 -10.367) 11.442 4.781 ( 0.000 20.743 -17.192) 26.942 4.827 ( 0.000 16.673 -11.997) 20.540 4.863 ( 0.000 10.508 -16.862) 19.868 5.172 ( 0.000 21.810 5.832) 22.577 5.313 ( 0.000 26.064 -6.834) 26.945 5.770 ( 0.000 -3.894 24.796) 25.100 6.150 ( 0.000 -0.914 -10.252) 10.292 6.717 ( 0.000 -6.193 2.495) 6.677 6.805 ( 0.000 -1.141 -3.810) 3.977 7.064 ( 0.000 -8.726 19.426) 21.296 7.413 ( 0.000 -8.048 -13.253) 15.505 7.844 ( 0.000 14.354 5.403) 15.337 7.853 ( 0.000 -6.224 3.345) 7.066 8.062 ( 0.000 8.982 -7.749) 11.863 8.113 ( 0.000 -8.618 -12.355) 15.063 8.357 ( 0.000 14.024 -1.682) 14.125 8.380 ( 0.000 10.295 -3.889) 11.005 9.211 ( 0.000 15.653 7.967) 17.564 9.261 ( 0.000 1.180 3.221) 3.430 9.287 ( 0.000 -5.836 2.689) 6.426 9.349 ( 0.000 10.381 -1.395) 10.475 9.448 ( 0.000 16.885 5.263) 17.686 9.545 ( 0.000 12.915 -5.120) 13.893 9.637 ( 0.000 2.737 5.550) 6.188 9.746 ( 0.000 -0.800 -3.617) 3.704 9.849 ( 0.000 4.040 7.741) 8.732 10.180 ( 0.000 3.174 -22.649) 22.870 10.188 ( 0.000 2.596 -1.182) 2.852 10.199 ( 0.000 0.842 -1.950) 2.124 10.716 ( 0.000 2.592 10.371) 10.690 10.945 ( 0.000 -1.906 -10.988) 11.153 11.363 ( 0.000 -3.195 12.156) 12.569 11.482 ( 0.000 1.956 3.742) 4.223 11.520 ( 0.000 -4.133 -3.639) 5.507 11.593 ( 0.000 -1.172 -6.472) 6.577 12.094 ( 0.000 -1.053 1.864) 2.141 12.170 ( 0.000 -1.054 -5.629) 5.727 12.617 ( 0.000 -2.919 4.283) 5.183 12.696 ( 0.000 0.036 -4.256) 4.256 13.139 ( 0.000 1.932 18.850) 18.949 13.437 ( 0.000 -0.009 -9.306) 9.306 13.908 ( 0.000 -2.975 10.784) 11.187 14.167 ( 0.000 -3.131 -12.233) 12.627 14.368 ( 0.000 -1.536 12.405) 12.500 14.547 ( 0.000 -1.866 3.865) 4.292 14.658 ( 0.000 -4.462 -12.198) 12.989 14.736 ( 0.000 1.027 -10.331) 10.382 15.127 ( 0.000 -2.076 2.184) 3.014 15.191 ( 0.000 0.338 -3.267) 3.285 15.542 ( 0.000 14.714 1.182) 14.761 15.568 ( 0.000 14.807 -1.316) 14.865 16.304 ( 0.000 1.098 13.645) 13.690 16.490 ( 0.000 1.457 -5.793) 5.974 16.941 ( 0.000 15.255 14.017) 20.717 17.333 ( 0.000 -2.623 2.647) 3.727 17.342 ( 0.000 4.685 -11.360) 12.288 17.414 ( 0.000 10.770 -18.327) 21.258 20.990 ( 0.000 -5.894 0.710) 5.936 21.003 ( 0.000 -6.121 -0.508) 6.142 21.309 ( 0.000 -5.839 0.776) 5.890 21.333 ( 0.000 -6.093 -1.414) 6.255 26.412 ( 0.000 0.137 5.517) 5.519 26.527 ( 0.000 -0.571 -5.403) 5.433 28.184 ( 0.000 -16.777 1.185) 16.819 28.239 ( 0.000 -17.880 -3.974) 18.316 30.221 ( 0.000 -10.305 20.191) 22.669 30.599 ( 0.000 -12.553 -16.153) 20.457 30.907 ( 0.000 -28.484 28.523) 40.310 31.339 ( 0.000 -25.172 -14.852) 29.227 ======================= Grid point 161 (56/72) ======================= q-point: ( 0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 7.839 17.138 5.517) 19.637 1.621 ( 10.964 11.538 -6.550) 17.212 2.345 ( 10.735 22.160 22.561) 33.397 2.765 ( 3.018 23.028 -15.645) 28.003 3.013 ( -11.671 15.338 7.418) 20.652 3.125 ( 2.349 34.356 -4.686) 34.753 3.335 ( -6.502 8.319 -3.339) 11.074 3.380 ( -7.997 8.314 0.867) 11.569 3.579 ( -8.651 21.563 3.874) 23.554 3.649 ( -11.953 15.048 0.383) 19.221 4.002 ( -2.033 5.227 5.734) 8.021 4.075 ( -0.359 16.013 3.713) 16.442 4.325 ( 9.551 10.396 18.454) 23.235 4.435 ( 11.317 11.311 14.960) 21.905 4.579 ( 6.703 20.824 -2.249) 21.991 4.805 ( 3.958 15.820 -1.959) 16.425 4.913 ( 7.005 9.639 -11.091) 16.278 4.971 ( 8.289 13.153 -18.610) 24.250 5.226 ( 6.345 18.671 -3.039) 19.953 5.308 ( -0.779 23.481 -5.985) 24.244 5.745 ( -2.217 -0.300 19.856) 19.981 6.060 ( -6.914 1.688 -5.656) 9.091 6.547 ( -15.607 -3.571 -0.692) 16.025 6.667 ( -14.337 -1.015 -11.038) 18.122 7.108 ( 5.894 -9.099 19.953) 22.708 7.461 ( 1.350 -6.809 -14.157) 15.768 7.808 ( -3.400 -7.487 8.811) 12.052 7.902 ( 5.335 13.139 4.620) 14.915 7.970 ( -5.954 4.226 -6.644) 9.872 8.108 ( 0.524 7.062 -11.641) 13.626 8.325 ( -5.094 10.045 0.028) 11.262 8.391 ( 0.946 7.047 -5.612) 9.058 9.191 ( -0.109 9.615 7.681) 12.307 9.285 ( 1.729 10.250 1.176) 10.462 9.324 ( 2.265 4.505 6.491) 8.219 9.399 ( 4.401 0.503 -0.788) 4.499 9.465 ( 1.239 13.068 2.890) 13.441 9.570 ( 3.534 5.318 -4.822) 8.001 9.685 ( 3.981 6.155 4.082) 8.390 9.773 ( 1.880 1.048 -2.774) 3.511 9.913 ( 4.943 1.175 7.480) 9.042 10.108 ( -3.974 1.782 -5.891) 7.326 10.172 ( -2.257 1.686 -2.196) 3.572 10.261 ( 2.620 4.252 -16.199) 16.952 10.734 ( 2.786 2.802 9.384) 10.182 10.945 ( 0.232 -0.400 -9.835) 9.845 11.337 ( -2.401 -4.895 11.298) 12.545 11.461 ( -2.288 -3.193 1.514) 4.210 11.517 ( -0.488 -0.429 -2.715) 2.792 11.563 ( -2.377 -0.199 -5.443) 5.942 12.147 ( 5.144 -1.898 2.494) 6.023 12.228 ( 5.481 -4.228 -5.296) 8.716 12.595 ( -2.488 -0.041 4.618) 5.246 12.681 ( -2.219 0.873 -4.396) 5.001 13.070 ( -4.062 4.540 13.410) 14.729 13.330 ( -9.383 1.304 -10.818) 14.380 13.975 ( 5.747 -5.474 13.622) 15.765 14.218 ( -4.646 -1.840 -3.978) 6.388 14.263 ( 0.998 -3.837 5.616) 6.874 14.534 ( -4.234 -2.742 -13.127) 14.063 14.690 ( 7.912 -3.043 5.175) 9.932 14.858 ( 6.791 -2.342 -8.383) 11.040 15.090 ( -3.145 -1.744 1.408) 3.862 15.172 ( -2.156 -0.038 -4.809) 5.271 15.581 ( 3.784 15.353 2.543) 16.016 15.624 ( 6.234 15.163 -1.892) 16.504 16.267 ( -6.758 1.861 6.572) 9.609 16.355 ( -11.492 5.492 -3.580) 13.230 16.800 ( -6.832 13.418 16.135) 22.069 17.190 ( -9.214 13.776 -19.855) 25.863 17.476 ( 6.505 -1.238 1.947) 6.902 17.520 ( 7.540 -1.650 -2.538) 8.125 21.011 ( 2.253 -5.639 1.083) 6.168 21.033 ( 2.851 -6.142 -0.939) 6.836 21.269 ( -3.677 -5.791 0.928) 6.922 21.293 ( -3.761 -5.963 -1.296) 7.168 26.671 ( 23.888 -3.686 -1.020) 24.192 26.694 ( 16.462 -2.327 -2.597) 16.828 28.014 ( -15.372 -15.135 4.365) 22.010 28.141 ( -11.334 -17.298 -8.123) 22.219 30.250 ( 2.758 -10.865 19.394) 22.400 30.530 ( -5.665 -14.113 -2.215) 15.368 30.985 ( 6.577 -25.055 14.080) 29.483 31.317 ( -2.439 -24.648 -13.790) 28.348 ======================= Grid point 162 (57/72) ======================= q-point: ( 0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 12.514 16.247 6.782) 21.600 1.814 ( 4.729 15.155 -1.934) 15.993 2.573 ( 9.757 18.372 8.848) 22.605 2.736 ( -8.415 12.354 -8.173) 17.036 2.788 ( -2.111 18.114 11.701) 21.668 2.984 ( -14.307 26.456 1.841) 30.133 3.176 ( -0.226 15.064 -5.120) 15.912 3.302 ( -8.986 19.716 -10.408) 24.037 3.565 ( 9.570 14.791 4.579) 18.203 3.670 ( 8.767 6.761 -4.957) 12.130 3.869 ( -8.407 13.144 3.325) 15.953 3.968 ( -9.990 8.692 -3.992) 13.830 4.526 ( 8.528 22.482 10.332) 26.171 4.575 ( 2.733 26.027 3.160) 26.360 4.739 ( 9.416 16.987 20.518) 28.252 4.904 ( -2.259 10.745 15.103) 18.673 5.024 ( 10.237 7.644 -0.234) 12.778 5.134 ( 8.188 6.488 -4.418) 11.343 5.248 ( -5.563 18.771 -0.786) 19.593 5.314 ( -4.765 17.475 -1.873) 18.209 5.779 ( 11.927 7.285 -4.439) 14.664 6.040 ( 4.586 1.423 -17.209) 17.867 6.178 ( -18.150 2.344 -1.101) 18.334 6.341 ( -17.448 -0.557 -13.413) 22.015 7.254 ( 8.285 -7.670 12.058) 16.519 7.404 ( -6.466 -6.130 -1.771) 9.084 7.784 ( 1.449 -1.008 4.991) 5.294 7.852 ( -5.275 2.870 -1.736) 6.251 8.037 ( 7.801 10.573 1.871) 13.272 8.193 ( -7.998 9.986 2.047) 12.957 8.198 ( 7.721 6.593 -9.304) 13.771 8.343 ( -5.882 3.454 -9.077) 11.354 9.211 ( 1.768 11.305 5.582) 12.731 9.251 ( -2.379 12.755 2.656) 13.244 9.432 ( 2.986 8.050 0.136) 8.587 9.456 ( 0.365 7.899 -1.776) 8.104 9.525 ( 8.514 0.663 10.561) 13.582 9.642 ( 0.447 -1.209 3.200) 3.450 9.757 ( 2.666 5.720 1.807) 6.564 9.783 ( -1.013 1.682 0.266) 1.981 9.975 ( 1.864 -0.578 1.851) 2.690 10.029 ( -3.892 0.708 -3.030) 4.983 10.158 ( 2.180 4.713 -6.821) 8.573 10.242 ( -4.402 5.064 -13.826) 15.368 10.838 ( 6.939 3.709 5.676) 9.702 10.939 ( -2.271 3.870 -2.312) 5.047 11.309 ( 1.004 -9.643 5.023) 10.919 11.383 ( -5.284 -9.187 -0.632) 10.616 11.511 ( 0.235 2.574 -2.080) 3.317 11.527 ( -1.318 1.326 -3.465) 3.937 12.272 ( 6.954 -5.270 3.549) 9.419 12.336 ( 3.062 -11.268 -1.266) 11.745 12.532 ( -1.891 8.067 0.595) 8.307 12.597 ( -5.863 3.088 -4.638) 8.089 13.060 ( 2.922 5.062 3.377) 6.750 13.159 ( -7.188 3.710 -5.688) 9.889 14.044 ( 1.131 -5.488 8.710) 10.357 14.087 ( -4.706 -1.673 5.694) 7.574 14.360 ( 6.381 -5.678 -0.272) 8.546 14.469 ( -3.970 -5.145 -7.310) 9.781 14.840 ( 6.816 -5.021 4.202) 9.451 14.927 ( -1.078 -5.018 0.728) 5.184 15.054 ( 1.112 -0.406 -6.838) 6.939 15.112 ( -3.652 -0.675 -7.596) 8.455 15.707 ( 9.056 16.590 4.296) 19.383 15.779 ( 7.363 19.182 -2.530) 20.702 16.037 ( -10.946 4.154 2.129) 11.900 16.113 ( -13.096 8.757 -5.297) 16.620 16.817 ( 7.052 11.674 12.388) 18.425 16.997 ( -10.360 13.339 -4.203) 17.405 17.578 ( 4.036 -4.133 0.257) 5.783 17.612 ( 1.215 -4.143 -2.290) 4.887 21.074 ( 3.938 -5.117 1.125) 6.554 21.098 ( 3.201 -5.639 -1.223) 6.599 21.188 ( -3.882 -6.058 1.074) 7.274 21.208 ( -4.401 -6.249 -0.904) 7.697 27.088 ( 22.013 -6.048 1.916) 22.909 27.185 ( 23.041 -8.692 -8.291) 25.984 27.665 ( -16.516 -12.762 4.209) 21.292 27.815 ( -20.947 -15.329 -10.663) 28.061 30.320 ( 4.375 -12.084 16.526) 20.935 30.417 ( -5.637 -13.564 10.300) 17.940 31.122 ( 7.039 -22.766 -0.453) 23.834 31.242 ( -5.195 -23.288 -9.387) 25.640 ======================= Grid point 165 (58/72) ======================= q-point: ( 0.00 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 0.000 13.509 7.772) 15.585 1.892 ( 0.000 24.999 -7.543) 26.112 2.749 ( 0.000 26.839 20.348) 33.680 3.134 ( 0.000 15.208 -13.766) 20.513 3.389 ( 0.000 -2.449 18.500) 18.661 3.451 ( 0.000 4.260 4.950) 6.531 3.548 ( 0.000 13.328 5.672) 14.485 3.698 ( 0.000 19.263 -4.911) 19.879 3.976 ( 0.000 1.447 -5.350) 5.542 4.064 ( 0.000 1.030 -5.002) 5.107 4.265 ( 0.000 15.152 3.368) 15.521 4.391 ( 0.000 10.865 -9.737) 14.590 4.474 ( 0.000 12.381 1.601) 12.484 4.505 ( 0.000 9.816 2.954) 10.250 4.829 ( 0.000 36.675 14.799) 39.548 5.247 ( 0.000 28.521 -17.293) 33.354 5.294 ( 0.000 25.184 -3.660) 25.448 5.310 ( 0.000 28.471 -5.877) 29.071 5.544 ( 0.000 9.736 14.605) 17.553 5.796 ( 0.000 17.108 -10.695) 20.176 5.849 ( 0.000 15.264 14.884) 21.320 6.168 ( 0.000 3.139 -14.042) 14.389 6.718 ( 0.000 8.574 8.996) 12.428 6.783 ( 0.000 -6.386 14.664) 15.994 6.952 ( 0.000 3.884 -2.208) 4.468 7.209 ( 0.000 -11.478 -15.905) 19.614 7.625 ( 0.000 -12.236 8.515) 14.907 7.861 ( 0.000 -12.393 -12.941) 17.918 8.162 ( 0.000 13.817 5.091) 14.725 8.300 ( 0.000 11.623 -7.848) 14.024 8.540 ( 0.000 6.721 -0.458) 6.737 8.582 ( 0.000 7.808 -4.554) 9.039 9.170 ( 0.000 -4.444 5.905) 7.391 9.208 ( 0.000 -3.877 3.799) 5.428 9.407 ( 0.000 2.740 6.209) 6.786 9.477 ( 0.000 -1.787 -2.131) 2.781 9.647 ( 0.000 -0.406 3.937) 3.958 9.706 ( 0.000 1.091 -1.434) 1.802 9.764 ( 0.000 13.814 2.662) 14.068 9.765 ( 0.000 2.731 3.891) 4.754 10.060 ( 0.000 14.155 6.098) 15.412 10.242 ( 0.000 4.401 1.181) 4.557 10.319 ( 0.000 9.937 -5.887) 11.549 10.333 ( 0.000 11.570 -19.877) 22.999 10.788 ( 0.000 4.491 2.826) 5.306 10.900 ( 0.000 -2.347 -7.343) 7.709 11.392 ( 0.000 5.661 8.602) 10.297 11.493 ( 0.000 0.630 -1.755) 1.864 11.516 ( 0.000 1.321 2.148) 2.522 11.576 ( 0.000 0.516 -2.428) 2.483 12.023 ( 0.000 -5.021 0.081) 5.022 12.070 ( 0.000 -7.542 -3.956) 8.516 12.615 ( 0.000 2.460 5.431) 5.962 12.749 ( 0.000 4.541 -8.229) 9.399 13.185 ( 0.000 2.892 17.837) 18.070 13.454 ( 0.000 1.484 -8.612) 8.739 13.851 ( 0.000 -2.882 10.700) 11.082 14.137 ( 0.000 -0.559 -12.676) 12.688 14.341 ( 0.000 -1.046 10.434) 10.486 14.492 ( 0.000 -3.471 -1.025) 3.619 14.574 ( 0.000 -3.557 -0.209) 3.563 14.762 ( 0.000 0.748 -13.600) 13.620 15.060 ( 0.000 -4.017 2.916) 4.963 15.168 ( 0.000 -1.925 -6.400) 6.683 15.828 ( 0.000 12.186 1.548) 12.284 15.848 ( 0.000 11.863 -0.304) 11.867 16.368 ( 0.000 6.236 12.464) 13.938 16.561 ( 0.000 6.256 -7.260) 9.584 17.222 ( 0.000 7.850 11.335) 13.788 17.273 ( 0.000 -4.958 0.215) 4.963 17.287 ( 0.000 2.233 7.161) 7.501 17.680 ( 0.000 9.632 -23.805) 25.680 20.863 ( 0.000 -6.300 0.441) 6.316 20.872 ( 0.000 -6.477 -0.392) 6.489 21.178 ( 0.000 -6.886 0.405) 6.898 21.194 ( 0.000 -7.295 -1.088) 7.376 26.418 ( 0.000 0.468 4.668) 4.692 26.516 ( 0.000 -0.457 -4.669) 4.691 27.801 ( 0.000 -20.168 0.968) 20.191 27.836 ( 0.000 -21.080 -2.286) 21.204 30.016 ( 0.000 -9.299 16.495) 18.935 30.334 ( 0.000 -12.833 -13.976) 18.974 30.430 ( 0.000 -19.166 23.957) 30.680 30.843 ( 0.000 -23.022 -16.127) 28.109 ======================= Grid point 166 (59/72) ======================= q-point: ( 0.20 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 9.813 14.589 10.053) 20.254 2.006 ( 10.312 23.018 -6.651) 26.084 2.807 ( 5.181 22.693 17.285) 28.993 3.071 ( -8.836 6.729 -1.072) 11.158 3.245 ( -7.201 9.990 10.275) 16.038 3.451 ( -1.645 9.423 -4.092) 10.404 3.614 ( 5.481 9.149 3.651) 11.272 3.719 ( -0.249 21.201 -2.980) 21.411 3.810 ( -14.984 3.636 -0.852) 15.443 3.928 ( -9.050 9.996 -6.442) 14.944 4.099 ( -6.357 3.702 4.085) 8.414 4.306 ( -5.361 8.212 -7.279) 12.213 4.698 ( 14.720 13.769 3.607) 20.476 4.786 ( 18.469 8.524 0.535) 20.348 4.930 ( 9.979 34.619 11.227) 37.738 5.238 ( 0.897 23.902 -10.536) 26.137 5.283 ( 0.994 28.619 5.238) 29.112 5.423 ( -0.305 25.292 -0.714) 25.304 5.553 ( 6.711 12.207 -0.158) 13.931 5.720 ( -6.653 13.692 -5.771) 16.280 5.910 ( 4.977 16.386 6.194) 18.211 6.126 ( -2.919 5.127 -10.857) 12.357 6.588 ( -10.505 9.246 6.879) 15.594 6.763 ( -13.087 10.417 -8.753) 18.879 6.912 ( 7.251 -8.690 18.876) 22.009 7.268 ( 2.553 -11.144 -15.316) 19.113 7.614 ( -0.372 -10.290 8.650) 13.448 7.828 ( -3.323 -11.706 -11.085) 16.461 8.175 ( 1.699 12.847 5.083) 13.920 8.318 ( 1.934 10.764 -8.563) 13.890 8.485 ( -5.336 6.313 1.412) 8.386 8.564 ( -2.692 7.568 -6.023) 10.040 9.156 ( 2.730 -4.542 9.132) 10.559 9.308 ( 5.955 -5.538 -3.656) 8.916 9.422 ( 1.659 1.924 5.646) 6.191 9.442 ( -2.059 -0.183 1.400) 2.496 9.618 ( -1.476 2.932 5.840) 6.700 9.704 ( 0.237 2.119 -1.637) 2.689 9.798 ( 1.577 0.544 3.957) 4.295 9.839 ( 4.689 7.642 1.474) 9.086 10.073 ( 0.953 12.990 5.157) 14.009 10.223 ( -3.232 8.435 -1.687) 9.189 10.278 ( 1.353 10.669 -6.226) 12.427 10.415 ( 3.373 10.549 -14.735) 18.433 10.811 ( 3.178 4.635 2.987) 6.364 10.927 ( 3.474 -1.280 -7.365) 8.243 11.325 ( -6.573 3.497 8.065) 10.976 11.424 ( -5.741 0.831 -1.494) 5.990 11.549 ( 1.514 1.506 0.674) 2.239 11.572 ( -0.199 1.990 -0.869) 2.181 12.047 ( 2.340 -6.651 -0.147) 7.052 12.081 ( 1.255 -8.821 -2.988) 9.398 12.641 ( 2.178 4.137 4.339) 6.378 12.758 ( 0.180 5.604 -7.281) 9.189 13.156 ( -2.027 4.151 12.408) 13.240 13.366 ( -7.578 2.220 -7.936) 11.195 13.875 ( 2.297 -4.572 12.957) 13.931 14.175 ( 1.138 -1.902 -13.019) 13.207 14.234 ( -5.794 -0.223 12.192) 13.501 14.481 ( -3.146 -2.462 -10.859) 11.571 14.620 ( 5.133 -3.878 7.908) 10.194 14.802 ( 2.422 -3.526 -7.029) 8.228 15.045 ( -1.116 -2.458 -1.032) 2.890 15.146 ( -2.381 -1.961 -7.659) 8.257 15.864 ( 2.559 11.033 2.929) 11.699 15.897 ( 6.854 11.284 -0.438) 13.210 16.352 ( -3.997 7.460 8.774) 12.190 16.502 ( -4.953 9.824 -6.573) 12.816 17.048 ( -7.068 9.526 15.249) 19.319 17.302 ( 2.761 -1.196 -6.010) 6.721 17.445 ( 5.904 -0.930 3.125) 6.744 17.592 ( -7.386 7.452 -13.758) 17.302 20.889 ( 2.641 -6.123 0.544) 6.690 20.900 ( 2.818 -6.580 -0.507) 7.176 21.141 ( -3.488 -6.654 0.589) 7.536 21.159 ( -3.481 -7.038 -1.046) 7.921 26.600 ( 17.295 -3.131 1.197) 17.616 26.644 ( 12.621 -2.518 -2.809) 13.173 27.670 ( -12.046 -18.040 3.003) 21.898 27.751 ( -9.551 -20.296 -4.838) 22.946 30.036 ( 1.932 -9.656 16.089) 18.863 30.250 ( -5.257 -12.859 3.881) 14.424 30.536 ( 7.298 -19.270 5.168) 21.244 30.827 ( -1.719 -22.830 -14.764) 27.243 ======================= Grid point 167 (60/72) ======================= q-point: ( 0.40 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 13.399 15.722 12.132) 23.957 2.176 ( 2.566 19.104 2.351) 19.418 2.833 ( -1.987 8.690 4.229) 9.866 2.921 ( -6.177 9.445 -1.823) 11.432 3.175 ( 5.106 16.952 13.798) 22.446 3.433 ( -17.980 14.957 9.300) 25.169 3.484 ( 5.650 17.116 -10.687) 20.955 3.638 ( -9.154 13.346 -5.019) 16.944 3.753 ( 7.245 6.301 0.193) 9.604 3.858 ( -2.158 7.272 -6.801) 10.188 4.055 ( 2.740 5.975 2.086) 6.896 4.177 ( -7.698 7.953 -4.941) 12.121 4.965 ( 12.889 13.408 8.568) 20.477 5.108 ( 10.199 7.087 1.738) 12.541 5.133 ( 6.763 28.922 5.111) 30.139 5.229 ( 2.147 17.188 2.600) 17.516 5.296 ( -7.368 27.706 2.908) 28.816 5.359 ( 1.314 24.535 1.965) 24.649 5.580 ( -3.584 10.885 -2.973) 11.839 5.660 ( -2.835 14.820 -4.497) 15.745 6.042 ( 10.661 16.603 -1.253) 19.771 6.159 ( 6.017 10.431 -11.192) 16.440 6.354 ( -11.022 15.484 3.334) 19.296 6.465 ( -15.540 13.464 -6.560) 21.582 7.087 ( 9.396 -7.694 10.319) 15.937 7.240 ( -5.489 -9.050 -2.581) 10.895 7.647 ( 3.964 -9.727 0.298) 10.508 7.742 ( -5.193 -10.435 -6.993) 13.592 8.237 ( 4.820 9.444 4.610) 11.562 8.354 ( -6.271 6.208 2.992) 9.317 8.380 ( 3.507 9.572 -8.092) 13.015 8.478 ( -5.504 7.336 -7.823) 12.054 9.254 ( 5.621 -3.701 5.906) 8.954 9.338 ( -2.812 -3.365 -0.929) 4.482 9.466 ( 3.789 -1.375 2.532) 4.760 9.482 ( 2.840 -1.596 2.277) 3.975 9.614 ( 2.132 3.708 9.197) 10.143 9.702 ( -3.219 2.814 5.687) 7.115 9.800 ( 1.638 -2.369 -1.354) 3.182 9.868 ( -2.412 1.460 -2.263) 3.615 10.101 ( 2.338 13.244 2.451) 13.670 10.156 ( -3.162 12.190 -0.589) 12.607 10.342 ( 4.351 12.727 -6.428) 14.908 10.419 ( -2.772 11.528 -11.490) 16.511 10.933 ( 8.970 4.948 3.607) 10.860 11.041 ( 5.610 5.251 -6.187) 9.865 11.170 ( -6.563 -2.649 6.753) 9.782 11.273 ( -9.378 -0.946 -2.907) 9.864 11.568 ( 0.450 2.437 0.488) 2.526 11.571 ( 0.004 3.144 0.475) 3.180 12.098 ( 2.250 -9.786 -0.704) 10.066 12.110 ( 1.068 -10.696 -1.620) 10.871 12.682 ( 2.102 7.440 1.210) 7.825 12.731 ( -2.702 8.058 -3.304) 9.119 13.151 ( 1.881 4.035 2.037) 4.896 13.226 ( -5.867 3.114 -4.830) 8.213 13.938 ( 4.420 -4.657 13.613) 15.051 14.054 ( -7.461 -1.538 9.560) 12.224 14.285 ( 5.506 -2.289 -6.356) 8.715 14.397 ( -5.475 -2.208 -10.733) 12.249 14.725 ( 5.343 -6.262 7.959) 11.450 14.807 ( -2.385 -6.845 3.625) 8.104 15.040 ( 1.111 -1.236 -9.787) 9.928 15.086 ( -3.229 -1.737 -10.318) 10.950 15.968 ( 7.887 8.575 5.791) 13.010 16.057 ( 6.157 5.677 -2.531) 8.749 16.219 ( -4.986 16.394 6.824) 18.444 16.350 ( -10.847 14.856 -5.499) 19.199 17.060 ( 7.557 11.436 9.933) 16.928 17.252 ( -9.477 10.863 -7.402) 16.205 17.487 ( 1.974 -4.417 1.021) 4.945 17.526 ( -0.871 -3.722 -2.134) 4.377 20.960 ( 4.377 -5.911 0.571) 7.377 20.973 ( 4.317 -6.470 -0.651) 7.805 21.058 ( -4.591 -6.473 0.687) 7.966 21.073 ( -4.885 -6.808 -0.734) 8.412 26.951 ( 17.581 -7.178 0.607) 19.000 26.997 ( 19.767 -9.407 -4.245) 22.299 27.385 ( -15.003 -14.301 3.279) 20.985 27.478 ( -17.494 -17.103 -5.967) 25.183 30.086 ( 3.211 -10.453 14.429) 18.104 30.158 ( -4.238 -11.536 10.887) 16.418 30.671 ( 6.353 -20.851 -4.245) 22.207 30.772 ( -4.016 -22.128 -10.711) 24.910 ======================= Grid point 170 (61/72) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 0.000 17.993 19.227) 26.333 2.405 ( 0.000 24.758 -12.902) 27.919 3.166 ( 0.000 5.433 17.856) 18.664 3.243 ( 0.000 -0.973 9.879) 9.927 3.446 ( 0.000 16.473 20.511) 26.307 3.674 ( 0.000 6.105 -2.382) 6.553 3.782 ( 0.000 18.245 7.248) 19.632 3.865 ( 0.000 -1.897 -11.813) 11.964 3.985 ( 0.000 -6.031 -15.524) 16.654 4.103 ( 0.000 11.529 -13.581) 17.815 4.464 ( 0.000 5.040 5.065) 7.145 4.537 ( 0.000 6.350 0.089) 6.351 4.665 ( 0.000 5.104 -3.800) 6.363 4.684 ( 0.000 9.618 -4.162) 10.480 5.451 ( 0.000 3.786 11.072) 11.701 5.700 ( 0.000 6.573 -10.526) 12.410 5.701 ( 0.000 23.021 15.085) 27.523 5.858 ( 0.000 27.463 2.140) 27.546 5.929 ( 0.000 8.574 -7.376) 11.311 5.982 ( 0.000 28.421 -9.056) 29.829 6.249 ( 0.000 19.441 4.370) 19.926 6.320 ( 0.000 11.636 -2.889) 11.989 6.623 ( 0.000 -5.269 16.233) 17.066 6.948 ( 0.000 -10.596 -14.533) 17.986 7.066 ( 0.000 18.554 4.069) 18.995 7.168 ( 0.000 13.908 -4.911) 14.749 7.463 ( 0.000 -0.788 5.511) 5.567 7.618 ( 0.000 -9.276 -9.100) 12.995 8.448 ( 0.000 13.973 2.588) 14.211 8.510 ( 0.000 8.583 -2.941) 9.073 8.670 ( 0.000 5.647 -1.706) 5.899 8.686 ( 0.000 3.319 -3.888) 5.112 9.120 ( 0.000 -4.521 5.017) 6.754 9.123 ( 0.000 -0.121 2.450) 2.453 9.363 ( 0.000 -6.429 1.302) 6.560 9.408 ( 0.000 -1.174 3.114) 3.328 9.632 ( 0.000 -0.730 3.741) 3.812 9.647 ( 0.000 -5.667 -3.271) 6.543 9.799 ( 0.000 0.393 8.382) 8.391 9.944 ( 0.000 3.401 -4.076) 5.308 10.318 ( 0.000 10.252 6.890) 12.352 10.410 ( 0.000 11.290 5.727) 12.659 10.526 ( 0.000 9.069 -4.619) 10.177 10.568 ( 0.000 10.113 -16.232) 19.124 10.860 ( 0.000 -1.335 -2.856) 3.153 10.900 ( 0.000 6.617 -6.487) 9.266 11.455 ( 0.000 -4.168 1.721) 4.510 11.477 ( 0.000 -0.651 0.130) 0.664 11.615 ( 0.000 10.284 6.717) 12.284 11.679 ( 0.000 7.715 2.190) 8.020 11.909 ( 0.000 -7.331 -2.113) 7.629 11.931 ( 0.000 -2.897 -5.136) 5.896 12.700 ( 0.000 5.443 5.614) 7.820 12.856 ( 0.000 5.624 -10.002) 11.475 13.260 ( 0.000 4.386 16.588) 17.158 13.486 ( 0.000 1.233 -7.041) 7.148 13.782 ( 0.000 -3.928 10.441) 11.156 14.103 ( 0.000 -3.711 -14.493) 14.960 14.329 ( 0.000 -0.051 10.099) 10.099 14.429 ( 0.000 -2.205 1.616) 2.734 14.520 ( 0.000 -1.542 3.160) 3.516 14.738 ( 0.000 -3.404 -14.531) 14.925 14.980 ( 0.000 -3.505 3.464) 4.928 15.139 ( 0.000 -0.627 -10.894) 10.912 16.019 ( 0.000 7.329 2.412) 7.715 16.039 ( 0.000 7.343 0.444) 7.357 16.563 ( 0.000 11.741 11.250) 16.261 16.746 ( 0.000 11.182 -7.158) 13.277 17.166 ( 0.000 -5.387 2.203) 5.820 17.191 ( 0.000 -2.982 -0.337) 3.001 17.491 ( 0.000 10.166 14.192) 17.457 17.814 ( 0.000 4.202 -16.368) 16.899 20.743 ( 0.000 -5.396 0.235) 5.401 20.748 ( 0.000 -5.538 -0.291) 5.546 21.037 ( 0.000 -6.795 0.126) 6.796 21.045 ( 0.000 -7.146 -0.637) 7.174 26.431 ( 0.000 0.812 3.656) 3.745 26.508 ( 0.000 -0.281 -3.727) 3.738 27.391 ( 0.000 -19.611 0.645) 19.621 27.410 ( 0.000 -20.196 -1.169) 20.230 29.855 ( 0.000 -6.400 11.951) 13.557 30.095 ( 0.000 -10.473 -10.851) 15.081 30.104 ( 0.000 -13.180 16.809) 21.360 30.417 ( 0.000 -18.713 -13.159) 22.877 ======================= Grid point 171 (62/72) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 9.236 16.902 19.785) 27.612 2.479 ( 6.544 22.692 -9.459) 25.440 3.067 ( -8.520 0.611 15.949) 18.092 3.211 ( -3.488 6.159 7.039) 9.982 3.461 ( 1.213 16.778 16.599) 23.632 3.697 ( 2.284 3.212 0.034) 3.942 3.782 ( -3.426 3.133 1.963) 5.041 3.830 ( -0.285 14.600 -6.430) 15.956 3.965 ( -2.719 -4.553 -11.189) 12.382 4.094 ( -1.890 14.178 -6.792) 15.835 4.195 ( -11.033 7.602 3.552) 13.862 4.466 ( -8.849 7.231 -13.431) 17.634 4.857 ( 12.243 4.397 -0.066) 13.009 4.880 ( 15.151 3.191 -2.453) 15.677 5.443 ( -3.801 -2.654 9.477) 10.550 5.602 ( -1.469 11.377 -0.571) 11.485 5.877 ( 6.060 28.685 3.956) 29.584 5.901 ( 1.161 17.295 -1.795) 17.426 5.916 ( 4.423 19.651 -2.129) 20.255 6.003 ( 3.122 24.948 -4.217) 25.494 6.224 ( -1.499 12.697 5.118) 13.772 6.307 ( -0.087 13.606 -3.423) 14.030 6.669 ( 2.409 -3.387 12.474) 13.148 6.927 ( -4.706 -5.267 -11.035) 13.102 7.019 ( -2.071 18.665 4.793) 19.382 7.151 ( -1.107 9.628 -6.077) 11.439 7.469 ( 0.530 -1.431 3.333) 3.665 7.604 ( -1.630 -7.936 -8.646) 11.849 8.430 ( -1.462 12.080 2.917) 12.513 8.513 ( -0.188 8.148 -5.027) 9.576 8.601 ( -4.535 5.118 1.777) 7.065 8.688 ( -1.768 5.329 -6.602) 8.666 9.087 ( 1.960 -1.942 7.055) 7.575 9.205 ( 3.861 -4.247 -2.782) 6.379 9.376 ( 1.455 -4.301 4.075) 6.101 9.419 ( 0.860 -1.001 3.734) 3.961 9.617 ( -0.677 -1.606 4.698) 5.011 9.675 ( 2.121 -4.308 -3.021) 5.673 9.781 ( -2.109 -0.500 9.322) 9.570 9.938 ( -1.325 1.440 -4.149) 4.588 10.325 ( 1.128 10.688 3.959) 11.454 10.440 ( -0.558 11.054 2.070) 11.260 10.506 ( 3.052 9.810 -4.771) 11.328 10.628 ( 2.663 9.047 -10.964) 14.462 10.888 ( 3.288 0.729 -1.573) 3.717 10.943 ( 5.086 5.496 -6.467) 9.894 11.404 ( -5.483 1.345 2.750) 6.279 11.452 ( -3.072 0.544 -1.367) 3.406 11.609 ( -0.070 5.994 6.305) 8.700 11.670 ( -1.028 7.166 2.068) 7.529 11.902 ( -0.293 -7.669 -2.200) 7.984 11.924 ( -0.487 -4.839 -4.808) 6.839 12.749 ( 4.408 6.186 4.626) 8.894 12.882 ( 1.973 6.258 -8.244) 10.536 13.244 ( -1.434 4.550 11.265) 12.234 13.414 ( -6.290 2.231 -6.173) 9.091 13.786 ( 1.032 -4.227 12.684) 13.409 14.124 ( 1.349 -3.594 -15.688) 16.151 14.235 ( -6.442 0.070 12.918) 14.435 14.444 ( -0.854 -1.012 -4.830) 5.008 14.544 ( 2.260 -3.019 7.195) 8.124 14.705 ( -2.520 -5.857 -6.074) 8.806 14.987 ( 0.201 -3.304 -2.311) 4.037 15.114 ( -2.655 -0.983 -11.659) 11.997 16.032 ( 1.947 6.801 3.991) 8.122 16.082 ( 4.489 7.295 -0.956) 8.619 16.562 ( -1.284 11.639 10.131) 15.484 16.740 ( -1.428 12.144 -7.563) 14.378 17.140 ( 0.132 0.092 8.141) 8.143 17.250 ( 5.480 -2.603 -2.708) 6.644 17.498 ( -0.181 6.030 8.689) 10.578 17.726 ( -8.663 5.151 -12.641) 16.167 20.770 ( 2.774 -5.415 0.161) 6.086 20.774 ( 2.636 -5.641 -0.210) 6.230 21.005 ( -3.029 -6.499 0.250) 7.174 21.015 ( -2.990 -6.871 -0.631) 7.519 26.546 ( 11.182 -2.093 1.976) 11.547 26.595 ( 8.582 -2.231 -2.631) 9.250 27.303 ( -8.276 -17.550 1.590) 19.469 27.344 ( -7.168 -19.173 -2.302) 20.598 29.868 ( 1.293 -6.713 11.786) 13.625 30.018 ( -3.742 -9.905 6.015) 12.177 30.196 ( 5.151 -14.168 -0.736) 15.093 30.404 ( -1.321 -18.523 -12.236) 22.239 ======================= Grid point 172 (63/72) ======================= q-point: ( 0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 13.291 14.614 19.922) 28.056 2.546 ( -4.011 16.429 9.531) 19.412 2.961 ( 1.769 5.151 0.805) 5.506 3.096 ( -8.258 6.886 -2.324) 11.001 3.508 ( 4.399 15.675 12.933) 20.792 3.640 ( -8.610 6.523 5.359) 12.059 3.759 ( 3.880 -0.759 3.431) 5.234 3.842 ( -3.327 6.620 -4.335) 8.584 3.902 ( 1.182 9.445 3.442) 10.122 3.980 ( -5.529 16.323 0.311) 17.236 4.187 ( 4.689 7.691 -14.534) 17.099 4.306 ( -7.385 6.196 -15.177) 17.980 5.067 ( 9.873 1.071 2.530) 10.248 5.148 ( 7.689 0.598 -5.427) 9.430 5.351 ( -1.082 -2.704 5.857) 6.542 5.501 ( -9.704 -1.913 -7.680) 12.522 5.921 ( 2.381 32.489 2.423) 32.666 5.946 ( 1.502 31.448 0.715) 31.492 6.014 ( 2.019 29.614 3.586) 29.899 6.050 ( -0.450 19.590 1.086) 19.625 6.290 ( 9.181 4.431 5.636) 11.649 6.370 ( 5.001 7.107 -1.867) 8.888 6.639 ( -3.614 6.406 4.975) 8.880 6.741 ( -11.619 7.412 -2.195) 13.956 7.058 ( 4.500 7.861 0.968) 9.110 7.129 ( -2.032 3.971 -2.950) 5.348 7.492 ( 2.251 -2.950 -2.773) 4.632 7.553 ( -3.453 -5.245 -7.292) 9.624 8.414 ( 0.484 7.808 2.641) 8.256 8.461 ( -4.082 5.070 -0.433) 6.523 8.575 ( 1.736 9.466 -2.768) 10.014 8.629 ( -3.464 8.236 -6.430) 11.008 9.178 ( 5.641 -2.846 3.965) 7.459 9.244 ( -0.545 -4.314 -1.780) 4.699 9.416 ( 2.161 -3.579 4.296) 5.995 9.434 ( 0.368 -2.282 3.437) 4.142 9.620 ( 1.635 -1.940 8.050) 8.440 9.688 ( -3.939 -4.762 6.083) 8.672 9.762 ( 4.059 0.875 1.065) 4.287 9.871 ( -5.495 -0.134 -3.407) 6.467 10.361 ( 2.304 10.497 -0.778) 10.775 10.404 ( -2.073 10.155 -2.839) 10.746 10.592 ( 3.781 10.241 -3.474) 11.456 10.640 ( -1.201 8.984 -7.371) 11.683 11.002 ( 8.344 1.890 2.947) 9.049 11.083 ( 6.025 1.120 -2.420) 6.589 11.267 ( -5.755 9.017 0.411) 10.704 11.344 ( -7.860 6.240 -4.714) 11.088 11.620 ( 1.089 2.683 4.741) 5.555 11.645 ( -1.370 4.233 3.080) 5.411 11.907 ( 0.628 -8.606 -2.753) 9.057 11.917 ( -0.336 -7.847 -3.857) 8.751 12.840 ( 4.378 7.848 2.217) 9.256 12.898 ( -1.085 8.095 -2.710) 8.605 13.227 ( 0.615 3.435 0.775) 3.574 13.290 ( -5.599 3.026 -4.737) 7.934 13.859 ( 6.929 -3.019 15.143) 16.924 14.028 ( -9.321 -0.915 10.361) 13.967 14.244 ( 5.778 -2.259 -9.820) 11.616 14.372 ( -6.229 -0.430 -11.458) 13.049 14.595 ( 3.113 -5.966 10.340) 12.337 14.657 ( -2.829 -7.438 6.395) 10.208 14.994 ( 1.334 -3.310 -10.302) 10.903 15.047 ( -3.699 -2.137 -12.893) 13.582 16.109 ( 5.203 6.581 4.485) 9.513 16.162 ( 1.522 5.755 -0.452) 5.969 16.540 ( 1.337 13.306 6.632) 14.927 16.644 ( -7.497 12.085 -2.889) 14.512 17.251 ( 10.474 6.657 6.129) 13.842 17.373 ( 6.408 -0.234 -4.059) 7.589 17.451 ( -5.845 2.533 2.488) 6.838 17.519 ( -10.629 4.602 -4.566) 12.450 20.841 ( 4.310 -5.554 0.134) 7.032 20.845 ( 4.497 -5.869 -0.211) 7.397 20.930 ( -4.470 -6.025 0.306) 7.508 20.938 ( -4.667 -6.333 -0.458) 7.881 26.805 ( 12.886 -7.105 -0.165) 14.716 26.818 ( 13.804 -7.894 -1.527) 15.975 27.100 ( -11.397 -13.380 1.704) 17.659 27.143 ( -12.699 -15.398 -2.522) 20.117 29.903 ( 2.247 -7.492 10.985) 13.485 29.953 ( -2.959 -8.551 9.154) 12.871 30.291 ( 4.482 -16.304 -5.607) 17.814 30.364 ( -2.934 -17.799 -9.587) 20.428 ======================= Grid point 175 (64/72) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 0.000 18.825 26.162) 32.231 2.867 ( 0.000 19.634 -11.344) 22.675 3.134 ( 0.000 -3.437 24.840) 25.077 3.198 ( 0.000 -2.776 16.608) 16.839 3.702 ( 0.000 -0.984 5.507) 5.595 3.747 ( 0.000 -3.998 -10.526) 11.260 3.791 ( 0.000 -9.283 -12.585) 15.639 3.850 ( 0.000 10.815 -0.895) 10.852 4.259 ( 0.000 22.631 -2.120) 22.730 4.369 ( 0.000 16.222 -12.725) 20.618 4.539 ( 0.000 4.224 5.334) 6.804 4.651 ( 0.000 4.073 -2.051) 4.560 4.780 ( 0.000 7.945 1.563) 8.097 4.888 ( 0.000 10.020 -6.304) 11.838 5.393 ( 0.000 -4.164 7.459) 8.542 5.590 ( 0.000 -9.867 -10.138) 14.147 5.826 ( 0.000 -5.140 4.924) 7.118 5.895 ( 0.000 -10.126 -3.079) 10.584 6.273 ( 0.000 -4.649 4.436) 6.426 6.345 ( 0.000 -3.919 -2.721) 4.771 6.659 ( 0.000 26.974 5.395) 27.508 6.700 ( 0.000 19.518 3.915) 19.906 6.746 ( 0.000 16.995 2.161) 17.132 6.824 ( 0.000 9.317 -7.511) 11.967 7.392 ( 0.000 5.782 -2.081) 6.145 7.412 ( 0.000 12.841 -3.906) 13.422 7.607 ( 0.000 10.002 0.317) 10.007 7.638 ( 0.000 15.143 -1.733) 15.241 8.604 ( 0.000 0.763 5.335) 5.390 8.704 ( 0.000 7.332 -2.603) 7.781 8.741 ( 0.000 3.855 0.197) 3.860 8.786 ( 0.000 6.754 -3.711) 7.706 9.038 ( 0.000 -2.872 5.927) 6.586 9.140 ( 0.000 0.911 -3.998) 4.100 9.297 ( 0.000 0.674 2.293) 2.390 9.400 ( 0.000 1.126 -4.400) 4.542 9.518 ( 0.000 -6.010 5.964) 8.467 9.621 ( 0.000 -0.189 1.144) 1.159 9.786 ( 0.000 -1.657 7.729) 7.905 9.946 ( 0.000 -2.390 -5.239) 5.758 10.481 ( 0.000 6.305 7.466) 9.772 10.620 ( 0.000 7.452 0.747) 7.490 10.672 ( 0.000 5.592 -1.654) 5.832 10.737 ( 0.000 6.885 -12.372) 14.159 10.862 ( 0.000 2.261 3.575) 4.230 11.038 ( 0.000 6.001 -11.581) 13.043 11.352 ( 0.000 -5.498 3.734) 6.646 11.422 ( 0.000 -4.171 -2.550) 4.888 11.743 ( 0.000 -2.116 7.292) 7.592 11.761 ( 0.000 -0.262 3.935) 3.944 11.883 ( 0.000 8.208 -1.077) 8.279 11.972 ( 0.000 6.456 -8.057) 10.324 12.823 ( 0.000 6.420 4.309) 7.732 12.965 ( 0.000 4.839 -9.786) 10.917 13.356 ( 0.000 4.784 12.690) 13.562 13.492 ( 0.000 -0.744 -4.140) 4.207 13.697 ( 0.000 -4.265 10.156) 11.015 13.981 ( 0.000 -7.719 -8.115) 11.200 14.338 ( 0.000 0.952 11.003) 11.044 14.397 ( 0.000 -1.194 3.675) 3.864 14.511 ( 0.000 -0.022 -2.272) 2.272 14.635 ( 0.000 -6.095 -12.915) 14.281 14.938 ( 0.000 -0.050 2.466) 2.467 15.136 ( 0.000 -0.102 -14.936) 14.936 16.158 ( 0.000 6.629 2.226) 6.993 16.171 ( 0.000 5.995 0.934) 6.067 16.770 ( 0.000 6.868 11.008) 12.975 16.946 ( 0.000 4.640 -6.313) 7.835 17.088 ( 0.000 0.757 4.633) 4.695 17.163 ( 0.000 1.112 -2.373) 2.621 17.667 ( 0.000 7.148 9.220) 11.666 17.869 ( 0.000 1.467 -9.797) 9.907 20.648 ( 0.000 -3.817 0.076) 3.817 20.651 ( 0.000 -3.924 -0.211) 3.929 20.909 ( 0.000 -5.530 0.042) 5.530 20.912 ( 0.000 -5.726 -0.225) 5.731 26.450 ( 0.000 1.008 2.526) 2.720 26.504 ( 0.000 -0.225 -2.603) 2.613 27.028 ( 0.000 -15.541 0.382) 15.545 27.038 ( 0.000 -15.885 -0.557) 15.895 29.756 ( 0.000 -3.399 7.621) 8.345 29.887 ( 0.000 -8.260 10.310) 13.211 29.913 ( 0.000 -7.346 -7.321) 10.371 30.087 ( 0.000 -13.687 -8.776) 16.259 ======================= Grid point 176 (65/72) ======================= q-point: ( 0.20 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 6.271 17.068 26.144) 31.846 2.895 ( 1.301 16.863 -2.294) 17.068 3.050 ( -4.444 -0.495 16.113) 16.722 3.234 ( 0.649 -1.600 13.735) 13.843 3.689 ( -1.016 -2.788 0.305) 2.983 3.718 ( -1.780 -3.140 -4.658) 5.893 3.784 ( -1.151 -0.668 -4.664) 4.850 3.833 ( -2.023 3.257 -0.939) 3.947 4.273 ( 1.448 22.349 -2.762) 22.566 4.373 ( 0.044 15.454 -10.845) 18.880 4.419 ( -5.647 13.502 0.899) 14.663 4.597 ( -6.909 5.623 -12.362) 15.237 4.928 ( 12.305 3.167 2.289) 12.910 4.964 ( 6.084 5.566 -1.044) 8.312 5.341 ( -4.991 -4.898 7.866) 10.525 5.537 ( -5.121 -7.879 -10.082) 13.782 5.926 ( 7.763 -8.755 4.597) 12.572 5.975 ( 9.060 -10.108 -0.146) 13.575 6.249 ( -2.094 -6.074 5.697) 8.587 6.353 ( 0.509 -2.221 -3.503) 4.179 6.642 ( -1.988 23.595 2.976) 23.865 6.690 ( -1.981 25.253 -0.018) 25.331 6.770 ( 3.012 12.114 3.944) 13.091 6.840 ( 0.967 10.600 -3.172) 11.107 7.359 ( -2.953 10.301 -0.867) 10.751 7.392 ( -1.435 10.525 -3.720) 11.255 7.596 ( -3.367 11.102 -1.813) 11.742 7.610 ( -0.642 9.716 -3.084) 10.214 8.611 ( -1.662 3.321 1.562) 4.029 8.656 ( -3.071 6.463 -2.334) 7.527 8.707 ( -0.949 6.481 3.701) 7.523 8.803 ( 1.110 5.824 -4.597) 7.502 9.068 ( 3.493 -0.400 4.534) 5.738 9.153 ( 1.409 -0.534 -2.859) 3.232 9.321 ( 1.419 -0.612 3.380) 3.716 9.407 ( 0.172 0.251 -1.353) 1.387 9.548 ( 2.292 -4.517 4.047) 6.483 9.620 ( -0.002 -0.124 1.046) 1.053 9.771 ( -0.980 -0.815 8.759) 8.851 9.931 ( -1.701 -1.702 -4.258) 4.891 10.495 ( 1.193 6.443 3.286) 7.330 10.615 ( -3.452 5.987 -4.554) 8.276 10.661 ( 3.521 5.313 1.012) 6.454 10.766 ( 1.113 4.722 -6.906) 8.439 10.919 ( 5.500 3.460 2.897) 7.114 11.075 ( 3.492 5.921 -10.242) 12.335 11.374 ( 2.124 -2.943 2.054) 4.170 11.430 ( 0.671 -2.789 -2.341) 3.703 11.690 ( -3.863 -1.199 8.174) 9.119 11.759 ( -0.759 -1.598 2.969) 3.456 11.854 ( -2.785 6.347 -1.862) 7.177 11.924 ( -4.779 5.286 -7.787) 10.555 12.881 ( 5.260 6.557 3.713) 9.190 13.002 ( 3.200 5.269 -7.819) 9.957 13.335 ( -2.410 4.084 7.978) 9.281 13.442 ( -4.690 0.255 -4.285) 6.358 13.708 ( 2.299 -3.060 13.047) 13.597 14.018 ( 3.991 -6.740 -9.373) 12.215 14.236 ( -8.190 0.206 13.243) 15.572 14.432 ( 1.000 -0.250 -0.753) 1.277 14.497 ( -1.889 -3.419 3.755) 5.418 14.600 ( -2.042 -2.752 -11.210) 11.722 14.925 ( -1.621 -2.131 -0.475) 2.719 15.097 ( -4.044 -0.978 -14.936) 15.505 16.170 ( 2.452 6.881 3.731) 8.203 16.217 ( 4.143 6.286 -0.852) 7.576 16.751 ( -2.121 5.577 9.969) 11.618 16.904 ( -4.688 1.726 -4.407) 6.662 17.164 ( 8.091 4.948 3.797) 10.216 17.236 ( 6.777 1.860 -2.383) 7.421 17.636 ( -3.199 6.540 7.556) 10.493 17.803 ( -6.659 2.528 -8.147) 10.821 20.674 ( 2.531 -3.998 0.046) 4.732 20.676 ( 2.450 -4.010 -0.158) 4.702 20.884 ( -2.534 -5.297 0.091) 5.872 20.887 ( -2.502 -5.513 -0.235) 6.058 26.515 ( 6.373 -1.029 1.780) 6.696 26.555 ( 5.088 -1.719 -2.035) 5.743 26.978 ( -4.878 -13.973 0.626) 14.814 26.993 ( -4.626 -14.825 -0.846) 15.553 29.763 ( 0.705 -3.659 7.544) 8.415 29.850 ( -2.177 -6.541 5.808) 9.014 29.958 ( 2.884 -9.376 -3.210) 10.321 30.079 ( -0.824 -13.438 -8.276) 15.803 ======================= Grid point 177 (66/72) ======================= q-point: ( 0.40 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 9.625 12.762 25.892) 30.429 2.809 ( -8.805 9.047 23.580) 26.747 3.080 ( 5.877 6.711 -4.274) 9.892 3.194 ( -4.698 2.586 2.788) 6.044 3.682 ( 0.395 -4.088 -0.722) 4.170 3.694 ( -0.792 -2.182 0.577) 2.392 3.760 ( -0.578 3.573 1.873) 4.075 3.781 ( -2.573 1.524 3.337) 4.481 4.308 ( 1.900 21.253 -4.466) 21.800 4.343 ( -1.841 17.937 -3.923) 18.453 4.396 ( 1.657 14.113 -12.401) 18.860 4.466 ( -5.633 9.724 -14.117) 18.044 5.085 ( 6.878 1.291 3.896) 8.009 5.171 ( 9.753 1.248 -4.546) 10.832 5.229 ( -4.442 -6.490 7.012) 10.537 5.392 ( -9.535 -6.185 -8.741) 14.338 6.092 ( 7.787 -11.907 7.958) 16.301 6.175 ( 6.140 -14.102 5.340) 16.281 6.209 ( 1.552 -6.408 1.562) 6.776 6.337 ( -3.374 -7.429 -4.211) 9.182 6.604 ( -0.869 25.659 1.960) 25.748 6.635 ( -3.286 25.079 -0.931) 25.310 6.816 ( 1.431 14.097 3.724) 14.651 6.841 ( -0.935 13.870 1.554) 13.988 7.326 ( 0.568 13.730 -0.765) 13.763 7.361 ( -1.963 12.416 -3.538) 13.059 7.545 ( -0.829 5.371 -4.374) 6.976 7.572 ( -2.797 5.639 -6.333) 8.929 8.563 ( -1.004 7.362 0.256) 7.435 8.587 ( -3.167 7.476 -1.782) 8.312 8.756 ( 3.741 7.833 2.031) 8.915 8.807 ( -1.124 8.017 -2.471) 8.464 9.153 ( 3.998 0.262 1.120) 4.160 9.183 ( 0.883 -1.619 -1.025) 2.110 9.340 ( 1.392 -3.565 4.523) 5.925 9.388 ( -2.424 -2.301 0.694) 3.414 9.580 ( 1.360 -1.479 6.194) 6.512 9.612 ( -1.424 -0.787 3.845) 4.175 9.788 ( 3.388 1.252 4.727) 5.949 9.873 ( -4.283 0.141 -1.242) 4.462 10.521 ( 1.578 5.821 -2.498) 6.528 10.559 ( -2.383 5.723 -4.731) 7.799 10.728 ( 3.112 3.407 -1.265) 4.785 10.770 ( -0.957 3.748 -4.377) 5.841 11.045 ( 6.638 2.927 3.642) 8.117 11.124 ( -0.288 2.641 -2.303) 3.516 11.423 ( 2.286 4.516 -3.125) 5.949 11.441 ( 0.206 1.893 -2.828) 3.409 11.650 ( 1.329 -0.370 7.317) 7.446 11.728 ( -3.566 1.424 3.671) 5.312 11.795 ( -2.043 0.193 -5.394) 5.771 11.819 ( -4.317 -0.687 -5.817) 7.277 12.992 ( 5.422 6.919 2.422) 9.117 13.051 ( 0.400 6.771 -2.244) 7.145 13.284 ( -1.054 1.995 -0.287) 2.275 13.335 ( -5.366 1.142 -4.544) 7.124 13.821 ( 9.113 -0.614 15.215) 17.746 14.021 ( -9.812 0.315 9.016) 13.328 14.172 ( 7.852 -5.122 -2.727) 9.763 14.349 ( -8.480 -3.279 -7.557) 11.823 14.504 ( 2.442 -2.456 7.279) 8.061 14.561 ( -2.853 -0.128 0.530) 2.905 14.912 ( 1.721 -4.660 -8.951) 10.237 14.994 ( -5.809 -3.229 -14.283) 15.754 16.253 ( 4.993 7.510 3.719) 9.755 16.294 ( 1.938 7.037 -0.077) 7.300 16.715 ( -0.015 3.473 5.896) 6.843 16.786 ( -6.381 1.593 -0.547) 6.599 17.360 ( 10.195 5.576 1.549) 11.723 17.390 ( 8.349 3.385 -0.985) 9.063 17.548 ( -5.119 5.679 3.607) 8.454 17.630 ( -10.447 4.773 -4.202) 12.230 20.739 ( 3.975 -4.397 0.052) 5.928 20.741 ( 4.057 -4.350 -0.127) 5.950 20.818 ( -4.001 -4.824 0.121) 6.268 20.822 ( -4.058 -4.978 -0.201) 6.426 26.671 ( 8.744 -5.618 0.273) 10.397 26.684 ( 7.490 -5.462 -0.939) 9.318 26.855 ( -7.214 -10.464 0.540) 12.721 26.867 ( -7.826 -11.431 -0.696) 13.871 29.782 ( 1.285 -4.354 7.203) 8.515 29.812 ( -1.751 -5.324 6.491) 8.576 30.012 ( 2.579 -11.219 -4.904) 12.513 30.054 ( -1.752 -12.630 -6.874) 14.486 ======================= Grid point 180 (67/72) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 0.000 16.623 28.464) 32.962 3.081 ( 0.000 -1.308 25.935) 25.968 3.129 ( 0.000 2.092 14.666) 14.815 3.143 ( 0.000 -0.517 13.290) 13.300 3.613 ( 0.000 -7.178 -11.914) 13.909 3.614 ( 0.000 -6.299 -12.487) 13.985 3.710 ( 0.000 3.786 -9.227) 9.974 3.943 ( 0.000 -1.514 -15.186) 15.261 4.651 ( 0.000 6.188 0.812) 6.241 4.657 ( 0.000 14.056 2.634) 14.300 4.730 ( 0.000 4.216 -5.633) 7.036 4.749 ( 0.000 16.363 -6.428) 17.581 4.976 ( 0.000 11.215 2.155) 11.420 5.067 ( 0.000 7.876 -6.191) 10.018 5.368 ( 0.000 3.017 5.137) 5.957 5.446 ( 0.000 -1.183 -1.538) 1.941 5.612 ( 0.000 -15.949 1.068) 15.985 5.654 ( 0.000 -9.506 -1.144) 9.574 5.994 ( 0.000 -18.241 2.056) 18.356 6.049 ( 0.000 -18.685 -2.722) 18.882 6.976 ( 0.000 9.771 4.022) 10.566 7.003 ( 0.000 9.676 1.779) 9.838 7.111 ( 0.000 10.146 -3.446) 10.715 7.115 ( 0.000 11.110 -3.366) 11.608 7.541 ( 0.000 10.412 2.704) 10.757 7.632 ( 0.000 8.454 -5.301) 9.978 7.853 ( 0.000 11.004 3.266) 11.478 7.911 ( 0.000 9.714 -1.715) 9.864 8.594 ( 0.000 -1.005 5.363) 5.456 8.659 ( 0.000 -4.512 0.206) 4.516 8.894 ( 0.000 4.446 -1.527) 4.701 8.898 ( 0.000 3.342 -1.830) 3.810 9.034 ( 0.000 2.957 4.666) 5.524 9.151 ( 0.000 0.146 -6.776) 6.777 9.354 ( 0.000 3.024 0.919) 3.160 9.389 ( 0.000 -2.659 1.121) 2.886 9.502 ( 0.000 4.974 4.618) 6.787 9.637 ( 0.000 2.271 -2.171) 3.142 9.729 ( 0.000 -3.905 5.341) 6.617 9.862 ( 0.000 -5.621 -4.410) 7.145 10.591 ( 0.000 4.641 5.504) 7.200 10.691 ( 0.000 0.462 -3.317) 3.349 10.769 ( 0.000 4.151 0.536) 4.185 10.833 ( 0.000 2.251 -2.738) 3.545 10.975 ( 0.000 7.803 2.704) 8.258 11.120 ( 0.000 2.024 -8.440) 8.680 11.249 ( 0.000 -4.140 1.953) 4.577 11.317 ( 0.000 -5.942 -3.972) 7.147 11.707 ( 0.000 -0.379 4.258) 4.275 11.740 ( 0.000 -1.182 0.997) 1.546 12.045 ( 0.000 6.245 0.019) 6.245 12.091 ( 0.000 4.062 -4.373) 5.969 12.949 ( 0.000 5.681 1.393) 5.849 13.040 ( 0.000 2.142 -7.595) 7.892 13.440 ( 0.000 2.856 3.185) 4.278 13.466 ( 0.000 -1.292 -2.106) 2.471 13.629 ( 0.000 -1.408 12.848) 12.925 13.815 ( 0.000 -8.028 1.612) 8.188 14.367 ( 0.000 1.869 11.615) 11.765 14.385 ( 0.000 0.190 1.067) 1.084 14.488 ( 0.000 -2.276 -1.196) 2.571 14.514 ( 0.000 -5.299 -11.335) 12.512 14.983 ( 0.000 3.982 -4.042) 5.674 15.122 ( 0.000 -1.532 -15.100) 15.177 16.279 ( 0.000 4.744 1.527) 4.984 16.280 ( 0.000 4.387 1.445) 4.619 16.831 ( 0.000 0.486 8.390) 8.404 16.907 ( 0.000 -3.942 1.352) 4.167 17.205 ( 0.000 6.037 0.257) 6.042 17.230 ( 0.000 4.031 -1.404) 4.269 17.784 ( 0.000 4.488 4.158) 6.118 17.880 ( 0.000 -0.409 -4.724) 4.741 20.589 ( 0.000 -1.953 -0.038) 1.954 20.590 ( 0.000 -2.025 -0.156) 2.031 20.819 ( 0.000 -3.143 0.084) 3.144 20.820 ( 0.000 -3.204 0.035) 3.204 26.470 ( 0.000 0.998 1.309) 1.646 26.498 ( 0.000 -0.333 -1.331) 1.372 26.778 ( 0.000 -8.641 0.169) 8.643 26.782 ( 0.000 -8.868 -0.240) 8.871 29.717 ( 0.000 -0.436 3.779) 3.804 29.768 ( 0.000 -3.411 4.745) 5.844 29.796 ( 0.000 -4.229 -3.738) 5.644 29.863 ( 0.000 -8.331 -4.237) 9.346 ======================= Grid point 181 (68/72) ======================= q-point: ( 0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 2.661 14.885 28.221) 32.017 3.027 ( -3.916 1.243 25.982) 26.305 3.140 ( 0.853 2.204 9.987) 10.263 3.175 ( 1.635 -3.511 19.093) 19.482 3.614 ( 0.374 -3.970 -15.077) 15.595 3.635 ( 1.970 -4.603 -9.182) 10.459 3.706 ( -0.199 2.385 -9.782) 10.071 3.913 ( -2.980 -1.060 -14.403) 14.746 4.638 ( -0.107 11.153 -2.532) 11.438 4.682 ( -2.113 8.153 -4.809) 9.698 4.714 ( 1.915 12.913 -0.645) 13.070 4.757 ( 0.950 14.747 -4.279) 15.384 5.003 ( 2.569 6.246 2.472) 7.192 5.075 ( 0.670 4.548 -3.894) 6.025 5.331 ( -2.598 4.864 5.366) 7.694 5.430 ( -2.668 0.464 -4.459) 5.217 5.665 ( 5.261 -16.765 2.918) 17.812 5.701 ( 4.397 -12.912 0.327) 13.644 5.970 ( -1.929 -17.533 3.670) 18.017 6.051 ( -0.537 -19.488 -4.151) 19.932 6.985 ( 0.913 10.957 4.211) 11.774 7.028 ( 2.243 9.976 1.209) 10.296 7.100 ( -0.708 11.923 -1.945) 12.101 7.124 ( 0.324 10.364 -2.866) 10.758 7.523 ( -1.388 8.994 1.426) 9.212 7.591 ( -3.039 7.857 -4.315) 9.465 7.797 ( -7.522 7.208 -0.885) 10.455 7.817 ( -6.506 6.893 -2.254) 9.743 8.646 ( 4.486 1.525 4.602) 6.605 8.715 ( 4.003 -0.143 -0.235) 4.012 8.836 ( -2.023 5.598 2.341) 6.396 8.913 ( -0.123 3.638 -2.866) 4.633 9.073 ( 3.867 1.485 4.087) 5.819 9.158 ( 0.582 -0.058 -3.641) 3.688 9.331 ( -1.734 0.824 1.949) 2.736 9.404 ( -1.553 -1.631 -5.196) 5.663 9.531 ( 3.767 3.966 8.334) 9.969 9.656 ( 1.503 3.812 -1.933) 4.531 9.737 ( 1.415 -2.828 6.654) 7.367 9.871 ( 0.488 -4.239 -3.804) 5.717 10.604 ( 0.930 4.433 2.601) 5.223 10.688 ( -0.389 1.072 -4.503) 4.645 10.742 ( -1.559 3.639 2.496) 4.680 10.825 ( -0.952 1.027 -2.770) 3.104 11.025 ( 4.575 6.306 3.353) 8.482 11.156 ( 2.924 2.072 -7.076) 7.932 11.309 ( 5.834 -3.136 -0.791) 6.670 11.346 ( 2.860 -4.998 -3.317) 6.645 11.661 ( -3.448 -0.050 4.839) 5.942 11.719 ( -1.639 -1.815 -0.553) 2.507 11.991 ( -5.413 5.501 -0.304) 7.724 12.031 ( -6.203 3.738 -4.213) 8.378 13.005 ( 5.058 5.369 1.414) 7.511 13.084 ( 4.023 2.433 -6.114) 7.713 13.397 ( -4.242 1.771 1.522) 4.842 13.429 ( -3.887 -1.110 -2.824) 4.931 13.679 ( 5.506 0.606 14.191) 15.234 13.869 ( 5.828 -7.351 2.117) 9.617 14.250 ( -8.539 1.346 9.456) 12.812 14.391 ( -6.388 -5.562 3.682) 9.236 14.448 ( 2.728 1.976 -1.949) 3.892 14.571 ( 3.609 -2.093 -11.429) 12.167 14.928 ( -5.880 2.496 -3.394) 7.233 15.065 ( -5.922 -2.340 -14.701) 16.021 16.300 ( 3.431 5.472 2.762) 7.025 16.330 ( 4.611 4.346 -0.123) 6.337 16.793 ( -3.768 -0.082 7.307) 8.222 16.861 ( -4.599 -3.669 0.944) 5.958 17.294 ( 8.371 5.649 0.419) 10.107 17.310 ( 7.424 4.082 -0.671) 8.499 17.748 ( -3.705 4.376 3.738) 6.844 17.831 ( -4.952 0.259 -4.017) 6.382 20.611 ( 2.208 -2.075 -0.002) 3.030 20.613 ( 2.227 -2.133 -0.148) 3.087 20.797 ( -2.194 -3.023 0.093) 3.737 20.798 ( -2.163 -3.091 0.010) 3.772 26.504 ( 3.276 -0.088 1.032) 3.436 26.526 ( 2.768 -1.109 -1.101) 3.178 26.753 ( -2.543 -7.828 0.158) 8.232 26.757 ( -2.604 -8.142 -0.233) 8.552 29.719 ( 0.277 -0.587 3.723) 3.779 29.756 ( -0.894 -2.612 3.425) 4.399 29.811 ( 1.140 -5.198 -2.556) 5.903 29.860 ( -0.324 -8.131 -4.037) 9.084 ======================= Grid point 182 (69/72) ======================= q-point: ( 0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 4.217 10.651 27.646) 29.925 2.946 ( -4.404 5.684 26.902) 27.847 3.162 ( 1.364 -1.000 12.976) 13.086 3.184 ( -0.634 -3.587 16.988) 17.375 3.630 ( 1.307 -0.183 -14.433) 14.493 3.656 ( -0.772 1.817 -11.494) 11.662 3.738 ( 4.195 -2.043 -9.939) 10.980 3.834 ( -4.984 -0.979 -12.158) 13.176 4.632 ( -0.284 11.587 -4.488) 12.429 4.642 ( -1.332 10.235 -5.124) 11.523 4.753 ( 1.925 18.863 -2.758) 19.161 4.776 ( -0.007 17.151 -4.916) 17.842 5.062 ( 2.765 -4.125 2.413) 5.521 5.085 ( 0.149 -1.963 0.144) 1.974 5.302 ( 0.360 8.499 2.081) 8.758 5.354 ( -4.307 4.806 -3.074) 7.148 5.769 ( 4.498 -17.983 4.831) 19.156 5.796 ( 3.207 -20.554 2.998) 21.018 5.944 ( 0.637 -16.079 1.910) 16.205 6.009 ( -3.881 -19.013 -3.569) 19.730 7.015 ( 2.186 13.787 3.470) 14.384 7.054 ( -0.927 14.350 0.133) 14.381 7.097 ( 1.100 10.244 1.321) 10.387 7.119 ( -0.810 10.386 -0.627) 10.437 7.523 ( 2.167 6.611 -1.293) 7.076 7.562 ( 0.419 6.296 -3.928) 7.433 7.636 ( -6.145 3.425 -3.093) 7.685 7.680 ( -7.342 3.079 -6.142) 10.055 8.716 ( 2.325 7.151 1.801) 7.732 8.748 ( -0.768 7.438 -0.773) 7.517 8.865 ( 3.950 2.567 3.963) 6.156 8.912 ( -0.465 1.979 0.203) 2.043 9.164 ( 4.054 0.328 1.119) 4.219 9.177 ( 1.552 0.654 -0.273) 1.706 9.281 ( -1.955 -1.998 3.022) 4.116 9.333 ( -4.995 -3.092 -1.498) 6.062 9.612 ( 3.901 4.942 5.299) 8.230 9.664 ( -1.166 5.274 0.888) 5.474 9.796 ( 4.056 -0.995 4.079) 5.838 9.860 ( -2.004 -1.897 -0.608) 2.826 10.622 ( 1.232 4.396 -1.091) 4.694 10.658 ( -2.296 4.220 -3.261) 5.806 10.752 ( 2.138 -0.622 0.343) 2.253 10.796 ( -2.021 -0.933 -2.444) 3.306 11.127 ( 5.200 5.073 2.402) 7.651 11.190 ( -0.522 3.926 -2.795) 4.847 11.399 ( 2.391 -5.064 -1.011) 5.690 11.415 ( 1.907 -4.245 -3.158) 5.624 11.663 ( 6.032 2.086 2.318) 6.791 11.720 ( 2.946 -0.361 -2.211) 3.702 11.853 ( -8.179 2.771 -1.573) 8.777 11.863 ( -10.111 2.814 -3.278) 10.995 13.115 ( 5.675 5.079 1.317) 7.729 13.163 ( 2.624 3.991 -2.725) 5.498 13.303 ( -3.742 -0.010 -0.712) 3.810 13.334 ( -5.041 -1.070 -3.384) 6.165 13.839 ( 10.463 2.420 13.964) 17.616 14.026 ( 4.600 -3.172 0.414) 5.603 14.067 ( -5.114 -1.137 15.001) 15.889 14.237 ( -9.242 -6.361 3.307) 11.696 14.525 ( 5.389 3.852 -2.569) 7.105 14.621 ( -1.179 4.074 -10.274) 11.115 14.814 ( -1.565 -4.309 -6.479) 7.937 14.913 ( -8.536 -4.678 -13.771) 16.864 16.404 ( 5.959 6.921 3.122) 9.652 16.435 ( 4.143 6.325 0.240) 7.565 16.709 ( -3.188 -2.714 4.625) 6.238 16.749 ( -6.029 -3.956 0.937) 7.272 17.472 ( 8.682 4.792 0.976) 9.964 17.487 ( 9.796 4.517 -0.575) 10.803 17.647 ( -6.180 3.781 2.524) 7.672 17.697 ( -8.502 1.709 -2.227) 8.954 20.669 ( 3.563 -2.371 0.061) 4.280 20.671 ( 3.564 -2.427 -0.110) 4.314 20.740 ( -3.552 -2.726 0.096) 4.479 20.742 ( -3.526 -2.795 -0.048) 4.500 26.586 ( 4.777 -2.671 0.406) 5.488 26.596 ( 4.109 -3.033 -0.601) 5.142 26.686 ( -4.183 -5.911 0.077) 7.242 26.688 ( -4.152 -6.071 -0.106) 7.356 29.727 ( 0.530 -1.021 3.556) 3.737 29.740 ( -0.755 -1.704 3.339) 3.824 29.833 ( 1.050 -6.486 -2.832) 7.155 29.850 ( -0.702 -7.514 -3.499) 8.318 ======================= Grid point 185 (70/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 3.051 ( 0.000 -10.492 24.350) 26.514 3.051 ( 0.000 10.492 24.350) 26.514 3.087 ( 0.000 -1.888 25.148) 25.219 3.087 ( 0.000 1.888 25.148) 25.219 3.538 ( 0.000 -0.315 -11.816) 11.820 3.538 ( 0.000 0.315 -11.816) 11.820 3.844 ( 0.000 -7.229 -20.826) 22.045 3.844 ( 0.000 7.229 -20.826) 22.045 4.756 ( 0.000 -2.995 -2.811) 4.107 4.756 ( 0.000 2.995 -2.811) 4.107 4.828 ( 0.000 -5.113 -4.100) 6.554 4.828 ( 0.000 5.114 -4.100) 6.554 5.252 ( 0.000 -10.121 1.275) 10.201 5.252 ( 0.000 10.121 1.275) 10.201 5.334 ( 0.000 -6.530 2.141) 6.872 5.334 ( 0.000 6.530 2.141) 6.872 5.587 ( 0.000 -8.407 0.130) 8.408 5.587 ( 0.000 8.407 0.130) 8.408 5.711 ( 0.000 -7.426 -1.042) 7.499 5.711 ( 0.000 7.426 -1.042) 7.499 7.089 ( 0.000 -1.049 2.874) 3.059 7.089 ( 0.000 1.049 2.874) 3.059 7.207 ( 0.000 -0.086 -4.769) 4.770 7.207 ( 0.000 0.086 -4.769) 4.770 7.702 ( 0.000 -2.662 -0.431) 2.697 7.702 ( 0.000 2.662 -0.431) 2.697 7.994 ( 0.000 -1.897 1.570) 2.462 7.994 ( 0.000 1.897 1.570) 2.462 8.592 ( 0.000 -1.486 2.712) 3.093 8.592 ( 0.000 1.486 2.712) 3.093 8.927 ( 0.000 -0.035 -2.148) 2.148 8.927 ( 0.000 0.035 -2.148) 2.148 9.117 ( 0.000 -3.659 0.911) 3.771 9.117 ( 0.000 3.659 0.911) 3.771 9.375 ( 0.000 -0.474 0.730) 0.871 9.375 ( 0.000 0.475 0.730) 0.871 9.621 ( 0.000 -5.877 2.563) 6.412 9.621 ( 0.000 5.878 2.563) 6.412 9.734 ( 0.000 -6.186 -3.121) 6.928 9.734 ( 0.000 6.186 -3.121) 6.929 10.666 ( 0.000 -2.610 0.670) 2.695 10.666 ( 0.000 2.610 0.670) 2.695 10.835 ( 0.000 -1.919 1.557) 2.471 10.835 ( 0.000 1.919 1.557) 2.471 11.114 ( 0.000 -3.976 0.120) 3.978 11.114 ( 0.000 3.976 0.120) 3.978 11.213 ( 0.000 -2.016 -4.763) 5.172 11.213 ( 0.000 2.016 -4.763) 5.172 11.717 ( 0.000 -1.009 1.696) 1.973 11.717 ( 0.000 1.009 1.696) 1.973 12.122 ( 0.000 -1.158 -1.794) 2.136 12.122 ( 0.000 1.158 -1.794) 2.136 13.038 ( 0.000 -2.530 -3.111) 4.010 13.038 ( 0.000 2.531 -3.111) 4.011 13.457 ( 0.000 -0.306 -2.542) 2.560 13.457 ( 0.000 0.306 -2.542) 2.560 13.674 ( 0.000 -5.371 10.895) 12.147 13.674 ( 0.000 5.371 10.895) 12.147 14.400 ( 0.000 -0.039 7.940) 7.940 14.400 ( 0.000 0.040 7.940) 7.940 14.446 ( 0.000 -0.072 -7.296) 7.297 14.446 ( 0.000 0.072 -7.296) 7.297 15.068 ( 0.000 -3.717 -11.132) 11.736 15.068 ( 0.000 3.717 -11.132) 11.736 16.330 ( 0.000 -0.082 1.439) 1.442 16.330 ( 0.000 0.082 1.439) 1.442 16.846 ( 0.000 -1.765 4.926) 5.233 16.846 ( 0.000 1.765 4.926) 5.233 17.273 ( 0.000 -0.456 -0.241) 0.515 17.273 ( 0.000 0.456 -0.241) 0.515 17.852 ( 0.000 -2.297 -0.389) 2.329 17.852 ( 0.000 2.297 -0.389) 2.330 20.570 ( 0.000 -0.029 -0.108) 0.112 20.570 ( 0.000 0.029 -0.108) 0.112 20.787 ( 0.000 -0.005 0.120) 0.120 20.787 ( 0.000 0.005 0.120) 0.120 26.488 ( 0.000 -0.693 0.020) 0.693 26.488 ( 0.000 0.693 0.020) 0.693 26.689 ( 0.000 -0.106 -0.042) 0.114 26.689 ( 0.000 0.106 -0.042) 0.114 29.740 ( 0.000 -1.933 0.005) 1.933 29.740 ( 0.000 1.933 0.005) 1.933 29.749 ( 0.000 -2.279 0.090) 2.280 29.749 ( 0.000 2.279 0.090) 2.280 ======================= Grid point 187 (71/72) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( -0.101 -8.719 24.310) 25.826 3.049 ( -0.101 8.719 24.310) 25.826 3.084 ( -0.429 -3.487 25.156) 25.400 3.084 ( -0.429 3.487 25.156) 25.400 3.579 ( 3.870 -0.974 -13.083) 13.678 3.579 ( 3.870 0.974 -13.083) 13.678 3.823 ( -2.208 -6.755 -20.142) 21.359 3.823 ( -2.208 6.755 -20.142) 21.359 4.768 ( 1.384 -2.997 -0.610) 3.357 4.768 ( 1.384 2.997 -0.610) 3.357 4.844 ( 1.086 -6.089 -5.098) 8.015 4.844 ( 1.086 6.089 -5.098) 8.015 5.250 ( 0.154 -9.047 0.251) 9.052 5.250 ( 0.154 9.047 0.251) 9.052 5.326 ( -0.830 -7.897 1.764) 8.134 5.326 ( -0.830 7.897 1.764) 8.134 5.600 ( 1.120 -9.964 1.663) 10.163 5.600 ( 1.120 9.964 1.663) 10.164 5.696 ( -1.421 -9.322 -1.259) 9.513 5.696 ( -1.421 9.321 -1.259) 9.513 7.113 ( 2.346 -1.493 2.896) 4.015 7.113 ( 2.346 1.493 2.896) 4.015 7.214 ( 0.656 -0.467 -4.033) 4.113 7.214 ( 0.656 0.468 -4.033) 4.113 7.663 ( -3.403 -2.215 -0.516) 4.093 7.663 ( -3.403 2.215 -0.516) 4.093 7.871 ( -10.176 -0.762 -1.573) 10.325 7.871 ( -10.176 0.762 -1.573) 10.325 8.686 ( 7.609 -2.146 3.795) 8.769 8.686 ( 7.609 2.146 3.795) 8.769 8.921 ( -0.569 -2.349 -0.829) 2.555 8.921 ( -0.569 2.349 -0.829) 2.555 9.127 ( 1.223 -2.856 1.377) 3.398 9.127 ( 1.223 2.856 1.377) 3.399 9.361 ( -2.411 -2.197 -1.829) 3.740 9.361 ( -2.411 2.197 -1.829) 3.740 9.645 ( 3.257 -5.769 5.525) 8.627 9.645 ( 3.257 5.769 5.525) 8.627 9.764 ( 2.166 -5.840 -3.260) 7.031 9.764 ( 2.166 5.840 -3.260) 7.031 10.673 ( 0.715 -2.223 -0.282) 2.352 10.673 ( 0.715 2.223 -0.282) 2.352 10.808 ( -2.505 -2.465 1.210) 3.717 10.808 ( -2.505 2.465 1.210) 3.717 11.145 ( 3.284 -4.155 0.355) 5.308 11.145 ( 3.284 4.155 0.355) 5.308 11.272 ( 4.964 -0.717 -4.674) 6.856 11.272 ( 4.964 0.717 -4.675) 6.856 11.683 ( -2.453 -1.701 1.017) 3.153 11.683 ( -2.453 1.701 1.017) 3.154 12.059 ( -6.378 -1.019 -1.925) 6.739 12.059 ( -6.378 1.020 -1.925) 6.739 13.086 ( 4.516 -2.237 -2.331) 5.552 13.086 ( 4.516 2.237 -2.331) 5.553 13.413 ( -4.291 -0.373 -2.331) 4.898 13.413 ( -4.291 0.373 -2.331) 4.898 13.739 ( 6.694 -5.040 10.990) 13.820 13.739 ( 6.694 5.040 10.990) 13.820 14.297 ( -7.785 -3.425 5.692) 10.234 14.297 ( -7.785 3.425 5.693) 10.234 14.507 ( 4.300 -3.546 -5.730) 7.994 14.507 ( 4.300 3.547 -5.731) 7.994 15.000 ( -7.118 -3.852 -10.537) 13.286 15.000 ( -7.118 3.852 -10.537) 13.286 16.370 ( 4.563 -0.860 1.294) 4.821 16.370 ( 4.563 0.860 1.294) 4.821 16.801 ( -4.570 -1.658 4.156) 6.396 16.801 ( -4.570 1.658 4.156) 6.396 17.356 ( 7.707 -0.209 0.126) 7.711 17.356 ( 7.707 0.209 0.126) 7.711 17.813 ( -4.048 -2.026 -0.222) 4.532 17.813 ( -4.048 2.026 -0.222) 4.532 20.590 ( 2.091 -0.041 -0.081) 2.093 20.590 ( 2.091 0.041 -0.081) 2.093 20.766 ( -2.060 -0.018 0.103) 2.063 20.766 ( -2.060 0.018 0.103) 2.063 26.509 ( 2.080 -0.574 0.009) 2.158 26.509 ( 2.080 0.574 0.009) 2.158 26.672 ( -1.766 -0.076 -0.040) 1.769 26.672 ( -1.766 0.076 -0.040) 1.769 29.741 ( 0.112 -1.971 0.014) 1.974 29.741 ( 0.112 1.971 0.014) 1.974 29.748 ( -0.064 -2.250 0.082) 2.252 29.748 ( -0.064 2.250 0.082) 2.252 ======================= Grid point 189 (72/72) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 0.669 -6.247 24.555) 25.346 3.054 ( 0.669 6.247 24.555) 25.346 3.070 ( -0.898 -4.588 24.991) 25.425 3.070 ( -0.898 4.589 24.991) 25.425 3.669 ( 5.044 -2.941 -15.884) 16.923 3.669 ( 5.044 2.941 -15.884) 16.923 3.761 ( -4.139 -5.225 -18.412) 19.581 3.761 ( -4.139 5.225 -18.412) 19.581 4.807 ( 2.435 -6.701 -0.104) 7.130 4.807 ( 2.435 6.701 -0.104) 7.130 4.846 ( -1.131 -7.679 -3.254) 8.416 4.846 ( -1.131 7.679 -3.254) 8.416 5.268 ( 1.657 -7.925 -0.565) 8.116 5.268 ( 1.657 7.926 -0.565) 8.117 5.303 ( -1.608 -8.881 0.542) 9.042 5.303 ( -1.608 8.881 0.542) 9.041 5.626 ( 1.601 -10.554 2.194) 10.897 5.626 ( 1.601 10.554 2.194) 10.898 5.662 ( -1.984 -10.717 -0.204) 10.901 5.662 ( -1.984 10.717 -0.204) 10.901 7.172 ( 3.381 -1.856 2.199) 4.440 7.172 ( 3.381 1.856 2.199) 4.440 7.218 ( -0.850 -0.874 -0.964) 1.554 7.218 ( -0.850 0.874 -0.964) 1.554 7.613 ( -0.364 -1.373 -2.569) 2.936 7.613 ( -0.364 1.373 -2.569) 2.936 7.685 ( -7.638 -1.689 -4.343) 8.948 7.685 ( -7.638 1.689 -4.343) 8.948 8.822 ( 5.712 -2.142 2.835) 6.727 8.822 ( 5.712 2.143 2.835) 6.727 8.898 ( -2.216 -2.458 0.818) 3.409 8.898 ( -2.216 2.458 0.818) 3.409 9.177 ( 4.184 -0.782 1.945) 4.680 9.177 ( 4.184 0.782 1.945) 4.680 9.277 ( -5.531 -1.794 -0.316) 5.824 9.277 ( -5.531 1.794 -0.316) 5.824 9.731 ( 4.442 -5.307 3.634) 7.817 9.731 ( 4.442 5.307 3.634) 7.817 9.784 ( -0.698 -5.438 -0.542) 5.510 9.784 ( -0.698 5.439 -0.542) 5.510 10.698 ( 2.000 -2.490 -1.065) 3.366 10.698 ( 2.000 2.490 -1.065) 3.366 10.750 ( -3.177 -2.722 -0.126) 4.185 10.750 ( -3.177 2.722 -0.125) 4.185 11.236 ( 5.647 -3.652 -0.289) 6.731 11.236 ( 5.647 3.652 -0.289) 6.731 11.323 ( -1.659 -2.383 -2.472) 3.814 11.323 ( -1.659 2.384 -2.472) 3.814 11.704 ( 6.372 -1.493 -1.144) 6.644 11.704 ( 6.372 1.493 -1.144) 6.644 11.888 ( -10.574 -0.410 -2.112) 10.790 11.888 ( -10.574 0.410 -2.112) 10.790 13.190 ( 5.858 -1.754 -1.423) 6.278 13.190 ( 5.858 1.754 -1.423) 6.278 13.307 ( -6.140 -1.037 -1.619) 6.434 13.307 ( -6.140 1.038 -1.619) 6.434 13.916 ( 10.832 -5.062 10.524) 15.928 13.916 ( 10.832 5.062 10.524) 15.928 14.123 ( -10.064 -4.523 8.376) 13.853 14.123 ( -10.064 4.523 8.376) 13.853 14.622 ( 7.970 -4.415 -8.706) 12.602 14.622 ( 7.970 4.416 -8.706) 12.602 14.813 ( -11.050 -4.400 -10.099) 15.603 14.813 ( -11.050 4.400 -10.099) 15.603 16.505 ( 8.712 -1.338 1.642) 8.966 16.505 ( 8.712 1.338 1.642) 8.966 16.675 ( -8.197 -1.498 2.781) 8.784 16.675 ( -8.197 1.498 2.781) 8.784 17.531 ( 9.517 -0.503 0.357) 9.537 17.531 ( 9.517 0.503 0.357) 9.537 17.699 ( -7.548 -1.335 0.138) 7.666 17.699 ( -7.548 1.335 0.138) 7.666 20.645 ( 3.368 -0.050 -0.016) 3.368 20.645 ( 3.368 0.050 -0.016) 3.368 20.712 ( -3.348 -0.040 0.054) 3.349 20.712 ( -3.348 0.040 0.054) 3.349 26.562 ( 3.200 -0.305 -0.013) 3.215 26.562 ( 3.200 0.305 -0.013) 3.215 26.624 ( -3.007 -0.058 -0.032) 3.007 26.624 ( -3.007 0.058 -0.032) 3.007 29.743 ( 0.156 -2.064 0.035) 2.070 29.743 ( 0.156 2.064 0.035) 2.070 29.746 ( -0.127 -2.171 0.061) 2.175 29.746 ( -0.127 2.171 0.061) 2.175 =================== 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 3/29400 10.0 2655.786 3280.101 3404.535 0.000 0.000 -0.000 3/29400 20.0 428.451 456.480 325.126 0.000 0.000 -0.000 3/29400 30.0 158.592 159.452 102.021 0.000 0.000 -0.000 3/29400 40.0 82.092 84.354 51.481 0.000 0.000 -0.000 3/29400 50.0 50.993 54.892 32.179 0.000 0.000 -0.000 3/29400 60.0 35.366 40.003 22.588 0.000 0.000 -0.000 3/29400 70.0 26.405 31.241 17.048 0.000 0.000 -0.000 3/29400 80.0 20.777 25.546 13.529 0.000 0.000 -0.000 3/29400 90.0 16.998 21.576 11.142 0.000 0.000 -0.000 3/29400 100.0 14.324 18.664 9.442 0.000 0.000 -0.000 3/29400 110.0 12.352 16.442 8.183 0.000 0.000 -0.000 3/29400 120.0 10.848 14.695 7.220 0.000 0.000 -0.000 3/29400 130.0 9.669 13.286 6.464 0.000 0.000 -0.000 3/29400 140.0 8.723 12.128 5.856 0.000 0.000 -0.000 3/29400 150.0 7.949 11.160 5.357 0.000 0.000 -0.000 3/29400 160.0 7.306 10.339 4.942 0.000 0.000 -0.000 3/29400 170.0 6.762 9.635 4.591 0.000 0.000 -0.000 3/29400 180.0 6.298 9.023 4.290 0.000 0.000 -0.000 3/29400 190.0 5.897 8.489 4.029 0.000 0.000 -0.000 3/29400 200.0 5.548 8.017 3.801 0.000 0.000 -0.000 3/29400 210.0 5.240 7.597 3.599 0.000 0.000 -0.000 3/29400 220.0 4.967 7.222 3.420 0.000 0.000 -0.000 3/29400 230.0 4.723 6.884 3.260 0.000 0.000 -0.000 3/29400 240.0 4.504 6.579 3.115 0.000 0.000 -0.000 3/29400 250.0 4.306 6.301 2.984 0.000 0.000 -0.000 3/29400 260.0 4.127 6.047 2.865 0.000 0.000 -0.000 3/29400 270.0 3.963 5.815 2.755 0.000 0.000 -0.000 3/29400 280.0 3.812 5.601 2.655 0.000 0.000 -0.000 3/29400 290.0 3.674 5.403 2.562 0.000 0.000 -0.000 3/29400 300.0 3.546 5.220 2.477 0.000 0.000 -0.000 3/29400 310.0 3.427 5.050 2.397 0.000 0.000 -0.000 3/29400 320.0 3.317 4.891 2.323 0.000 0.000 -0.000 3/29400 330.0 3.214 4.742 2.253 0.000 0.000 -0.000 3/29400 340.0 3.118 4.603 2.188 0.000 0.000 -0.000 3/29400 350.0 3.028 4.473 2.127 0.000 0.000 -0.000 3/29400 360.0 2.943 4.350 2.070 0.000 0.000 -0.000 3/29400 370.0 2.863 4.234 2.015 0.000 0.000 -0.000 3/29400 380.0 2.788 4.124 1.964 0.000 0.000 -0.000 3/29400 390.0 2.717 4.020 1.915 0.000 0.000 -0.000 3/29400 400.0 2.649 3.922 1.869 0.000 0.000 -0.000 3/29400 410.0 2.585 3.828 1.826 0.000 0.000 -0.000 3/29400 420.0 2.524 3.739 1.784 0.000 0.000 -0.000 3/29400 430.0 2.466 3.655 1.744 0.000 0.000 -0.000 3/29400 440.0 2.411 3.574 1.706 0.000 0.000 -0.000 3/29400 450.0 2.358 3.497 1.670 0.000 0.000 -0.000 3/29400 460.0 2.308 3.423 1.635 0.000 0.000 -0.000 3/29400 470.0 2.260 3.352 1.602 0.000 0.000 -0.000 3/29400 480.0 2.213 3.285 1.570 0.000 0.000 -0.000 3/29400 490.0 2.169 3.220 1.540 0.000 0.000 -0.000 3/29400 500.0 2.127 3.157 1.510 0.000 0.000 -0.000 3/29400 510.0 2.086 3.097 1.482 0.000 0.000 -0.000 3/29400 520.0 2.047 3.040 1.455 0.000 0.000 -0.000 3/29400 530.0 2.009 2.984 1.429 0.000 0.000 -0.000 3/29400 540.0 1.972 2.931 1.404 0.000 0.000 -0.000 3/29400 550.0 1.937 2.879 1.379 0.000 0.000 -0.000 3/29400 560.0 1.904 2.829 1.356 0.000 0.000 -0.000 3/29400 570.0 1.871 2.781 1.333 0.000 0.000 -0.000 3/29400 580.0 1.839 2.735 1.311 0.000 0.000 -0.000 3/29400 590.0 1.809 2.690 1.290 0.000 0.000 -0.000 3/29400 600.0 1.780 2.647 1.269 0.000 0.000 -0.000 3/29400 610.0 1.751 2.605 1.249 0.000 0.000 -0.000 3/29400 620.0 1.723 2.564 1.230 0.000 0.000 -0.000 3/29400 630.0 1.697 2.525 1.211 0.000 0.000 -0.000 3/29400 640.0 1.671 2.486 1.193 0.000 0.000 -0.000 3/29400 650.0 1.646 2.449 1.176 0.000 0.000 -0.000 3/29400 660.0 1.621 2.413 1.159 0.000 0.000 -0.000 3/29400 670.0 1.598 2.378 1.142 0.000 0.000 -0.000 3/29400 680.0 1.575 2.345 1.126 0.000 0.000 -0.000 3/29400 690.0 1.552 2.312 1.110 0.000 0.000 -0.000 3/29400 700.0 1.531 2.279 1.095 0.000 0.000 -0.000 3/29400 710.0 1.510 2.248 1.080 0.000 0.000 -0.000 3/29400 720.0 1.489 2.218 1.066 0.000 0.000 -0.000 3/29400 730.0 1.469 2.188 1.052 0.000 0.000 -0.000 3/29400 740.0 1.450 2.160 1.038 0.000 0.000 -0.000 3/29400 750.0 1.431 2.132 1.025 0.000 0.000 -0.000 3/29400 760.0 1.412 2.104 1.012 0.000 0.000 -0.000 3/29400 770.0 1.394 2.078 0.999 0.000 0.000 -0.000 3/29400 780.0 1.377 2.052 0.987 0.000 0.000 -0.000 3/29400 790.0 1.360 2.027 0.975 0.000 0.000 -0.000 3/29400 800.0 1.343 2.002 0.963 0.000 0.000 -0.000 3/29400 810.0 1.327 1.978 0.951 0.000 0.000 -0.000 3/29400 820.0 1.311 1.954 0.940 0.000 0.000 -0.000 3/29400 830.0 1.295 1.931 0.929 0.000 0.000 -0.000 3/29400 840.0 1.280 1.909 0.918 0.000 0.000 -0.000 3/29400 850.0 1.265 1.887 0.908 0.000 0.000 -0.000 3/29400 860.0 1.251 1.865 0.898 0.000 0.000 -0.000 3/29400 870.0 1.237 1.845 0.888 0.000 0.000 -0.000 3/29400 880.0 1.223 1.824 0.878 0.000 0.000 -0.000 3/29400 890.0 1.210 1.804 0.868 0.000 0.000 -0.000 3/29400 900.0 1.196 1.784 0.859 0.000 0.000 -0.000 3/29400 910.0 1.183 1.765 0.850 0.000 0.000 -0.000 3/29400 920.0 1.171 1.746 0.841 0.000 0.000 -0.000 3/29400 930.0 1.158 1.728 0.832 0.000 0.000 -0.000 3/29400 940.0 1.146 1.710 0.824 0.000 0.000 -0.000 3/29400 950.0 1.134 1.692 0.815 0.000 0.000 -0.000 3/29400 960.0 1.123 1.675 0.807 0.000 0.000 -0.000 3/29400 970.0 1.111 1.658 0.799 0.000 0.000 -0.000 3/29400 980.0 1.100 1.642 0.791 0.000 0.000 -0.000 3/29400 990.0 1.089 1.625 0.783 0.000 0.000 -0.000 3/29400 1000.0 1.079 1.609 0.775 0.000 0.000 -0.000 3/29400 Thermal conductivity related properties were written into "kappa-m5145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:09:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|