----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:05:04]------------------------- 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 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.174629640000003 0.000000000000000 0.000000000000000 b 0.000000000000000 3.876854870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.147591140000000 Atomic positions (fractional): *1 S 0.29582643852734 0.75000000000000 0.75391048023769 32.065 2 S 0.70417356147266 0.25000000000000 0.24608951976231 32.065 3 S 0.20417356147266 0.25000000000000 0.25391048023769 32.065 4 S 0.79582643852734 0.75000000000000 0.74608951976231 32.065 *5 S 0.45781714046462 0.75000000000000 0.24888993417792 32.065 6 S 0.95781714046461 0.75000000000000 0.25111006582208 32.065 7 S 0.04218285953539 0.25000000000000 0.74888993417792 32.065 8 S 0.54218285953539 0.25000000000000 0.75111006582208 32.065 *9 Cu 0.45829762660772 0.75000000000000 0.62966786614754 63.546 10 Cu 0.04170237339228 0.25000000000000 0.12966786614754 63.546 11 Cu 0.54170237339228 0.25000000000000 0.37033213385246 63.546 12 Cu 0.95829762660772 0.75000000000000 0.87033213385246 63.546 *13 Ho 0.63242490953458 0.75000000000000 0.00427586080048 164.930 14 Ho 0.36757509046542 0.25000000000000 0.99572413919952 164.930 15 Ho 0.86757509046542 0.25000000000000 0.50427586080048 164.930 16 Ho 0.13242490953458 0.75000000000000 0.49572413919952 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.174629640000003 0.000000000000000 0.000000000000000 b 0.000000000000000 3.876854870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.147591140000000 Atomic positions (fractional): *1 S 0.29582643852734 0.75000000000000 0.75391048023769 32.065 > 1 2 S 0.70417356147266 0.25000000000000 0.24608951976231 32.065 > 2 3 S 0.20417356147266 0.25000000000000 0.25391048023769 32.065 > 3 4 S 0.79582643852734 0.75000000000000 0.74608951976231 32.065 > 4 *5 S 0.45781714046462 0.75000000000000 0.24888993417792 32.065 > 5 6 S 0.95781714046461 0.75000000000000 0.25111006582208 32.065 > 6 7 S 0.04218285953539 0.25000000000000 0.74888993417792 32.065 > 7 8 S 0.54218285953539 0.25000000000000 0.75111006582208 32.065 > 8 *9 Cu 0.45829762660772 0.75000000000000 0.62966786614754 63.546 > 9 10 Cu 0.04170237339228 0.25000000000000 0.12966786614754 63.546 > 10 11 Cu 0.54170237339228 0.25000000000000 0.37033213385246 63.546 > 11 12 Cu 0.95829762660772 0.75000000000000 0.87033213385246 63.546 > 12 *13 Ho 0.63242490953458 0.75000000000000 0.00427586080048 164.930 > 13 14 Ho 0.36757509046542 0.25000000000000 0.99572413919952 164.930 > 14 15 Ho 0.86757509046542 0.25000000000000 0.50427586080048 164.930 > 15 16 Ho 0.13242490953458 0.75000000000000 0.49572413919952 164.930 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.174629640000003 0.000000000000000 0.000000000000000 b 0.000000000000000 15.507419479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.295182280000001 Atomic positions (fractional): *1 S 0.29582643852734 0.18750000000000 0.37695524011885 32.065 > 1 2 S 0.29582643852734 0.43750000000000 0.37695524011885 32.065 > 1 3 S 0.29582643852734 0.68750000000000 0.37695524011885 32.065 > 1 4 S 0.29582643852734 0.93750000000000 0.37695524011885 32.065 > 1 5 S 0.29582643852734 0.18750000000000 0.87695524011885 32.065 > 1 6 S 0.29582643852734 0.43750000000000 0.87695524011885 32.065 > 1 7 S 0.29582643852734 0.68750000000000 0.87695524011885 32.065 > 1 8 S 0.29582643852734 0.93750000000000 0.87695524011885 32.065 > 1 9 S 0.70417356147266 0.06250000000000 0.12304475988115 32.065 > 2 10 S 0.70417356147266 0.31250000000000 0.12304475988115 32.065 > 2 11 S 0.70417356147266 0.56250000000000 0.12304475988115 32.065 > 2 12 S 0.70417356147266 0.81250000000000 0.12304475988115 32.065 > 2 13 S 0.70417356147266 0.06250000000000 0.62304475988115 32.065 > 2 14 S 0.70417356147266 0.31250000000000 0.62304475988115 32.065 > 2 15 S 0.70417356147266 0.56250000000000 0.62304475988115 32.065 > 2 16 S 0.70417356147266 0.81250000000000 0.62304475988115 32.065 > 2 17 S 0.20417356147266 0.06250000000000 0.12695524011885 32.065 > 3 18 S 0.20417356147266 0.31250000000000 0.12695524011885 32.065 > 3 19 S 0.20417356147266 0.56250000000000 0.12695524011885 32.065 > 3 20 S 0.20417356147266 0.81250000000000 0.12695524011885 32.065 > 3 21 S 0.20417356147266 0.06250000000000 0.62695524011885 32.065 > 3 22 S 0.20417356147266 0.31250000000000 0.62695524011885 32.065 > 3 23 S 0.20417356147266 0.56250000000000 0.62695524011885 32.065 > 3 24 S 0.20417356147266 0.81250000000000 0.62695524011885 32.065 > 3 25 S 0.79582643852734 0.18750000000000 0.37304475988115 32.065 > 4 26 S 0.79582643852734 0.43750000000000 0.37304475988115 32.065 > 4 27 S 0.79582643852734 0.68750000000000 0.37304475988115 32.065 > 4 28 S 0.79582643852734 0.93750000000000 0.37304475988115 32.065 > 4 29 S 0.79582643852734 0.18750000000000 0.87304475988115 32.065 > 4 30 S 0.79582643852734 0.43750000000000 0.87304475988115 32.065 > 4 31 S 0.79582643852734 0.68750000000000 0.87304475988115 32.065 > 4 32 S 0.79582643852734 0.93750000000000 0.87304475988115 32.065 > 4 *33 S 0.45781714046462 0.18750000000000 0.12444496708896 32.065 > 5 34 S 0.45781714046462 0.43750000000000 0.12444496708896 32.065 > 5 35 S 0.45781714046462 0.68750000000000 0.12444496708896 32.065 > 5 36 S 0.45781714046462 0.93750000000000 0.12444496708896 32.065 > 5 37 S 0.45781714046462 0.18750000000000 0.62444496708896 32.065 > 5 38 S 0.45781714046462 0.43750000000000 0.62444496708896 32.065 > 5 39 S 0.45781714046462 0.68750000000000 0.62444496708896 32.065 > 5 40 S 0.45781714046462 0.93750000000000 0.62444496708896 32.065 > 5 41 S 0.95781714046461 0.18750000000000 0.12555503291104 32.065 > 6 42 S 0.95781714046461 0.43750000000000 0.12555503291104 32.065 > 6 43 S 0.95781714046461 0.68750000000000 0.12555503291104 32.065 > 6 44 S 0.95781714046461 0.93750000000000 0.12555503291104 32.065 > 6 45 S 0.95781714046461 0.18750000000000 0.62555503291104 32.065 > 6 46 S 0.95781714046461 0.43750000000000 0.62555503291104 32.065 > 6 47 S 0.95781714046461 0.68750000000000 0.62555503291104 32.065 > 6 48 S 0.95781714046461 0.93750000000000 0.62555503291104 32.065 > 6 49 S 0.04218285953539 0.06250000000000 0.37444496708896 32.065 > 7 50 S 0.04218285953539 0.31250000000000 0.37444496708896 32.065 > 7 51 S 0.04218285953539 0.56250000000000 0.37444496708896 32.065 > 7 52 S 0.04218285953539 0.81250000000000 0.37444496708896 32.065 > 7 53 S 0.04218285953539 0.06250000000000 0.87444496708896 32.065 > 7 54 S 0.04218285953539 0.31250000000000 0.87444496708896 32.065 > 7 55 S 0.04218285953539 0.56250000000000 0.87444496708896 32.065 > 7 56 S 0.04218285953539 0.81250000000000 0.87444496708896 32.065 > 7 57 S 0.54218285953539 0.06250000000000 0.37555503291104 32.065 > 8 58 S 0.54218285953539 0.31250000000000 0.37555503291104 32.065 > 8 59 S 0.54218285953539 0.56250000000000 0.37555503291104 32.065 > 8 60 S 0.54218285953539 0.81250000000000 0.37555503291104 32.065 > 8 61 S 0.54218285953539 0.06250000000000 0.87555503291104 32.065 > 8 62 S 0.54218285953539 0.31250000000000 0.87555503291104 32.065 > 8 63 S 0.54218285953539 0.56250000000000 0.87555503291104 32.065 > 8 64 S 0.54218285953539 0.81250000000000 0.87555503291104 32.065 > 8 *65 Cu 0.45829762660772 0.18750000000000 0.31483393307377 63.546 > 9 66 Cu 0.45829762660772 0.43750000000000 0.31483393307377 63.546 > 9 67 Cu 0.45829762660772 0.68750000000000 0.31483393307377 63.546 > 9 68 Cu 0.45829762660772 0.93750000000000 0.31483393307377 63.546 > 9 69 Cu 0.45829762660772 0.18750000000000 0.81483393307377 63.546 > 9 70 Cu 0.45829762660772 0.43750000000000 0.81483393307377 63.546 > 9 71 Cu 0.45829762660772 0.68750000000000 0.81483393307377 63.546 > 9 72 Cu 0.45829762660772 0.93750000000000 0.81483393307377 63.546 > 9 73 Cu 0.04170237339228 0.06250000000000 0.06483393307377 63.546 > 10 74 Cu 0.04170237339228 0.31250000000000 0.06483393307377 63.546 > 10 75 Cu 0.04170237339228 0.56250000000000 0.06483393307377 63.546 > 10 76 Cu 0.04170237339228 0.81250000000000 0.06483393307377 63.546 > 10 77 Cu 0.04170237339228 0.06250000000000 0.56483393307377 63.546 > 10 78 Cu 0.04170237339228 0.31250000000000 0.56483393307377 63.546 > 10 79 Cu 0.04170237339228 0.56250000000000 0.56483393307377 63.546 > 10 80 Cu 0.04170237339228 0.81250000000000 0.56483393307377 63.546 > 10 81 Cu 0.54170237339228 0.06250000000000 0.18516606692623 63.546 > 11 82 Cu 0.54170237339228 0.31250000000000 0.18516606692623 63.546 > 11 83 Cu 0.54170237339228 0.56250000000000 0.18516606692623 63.546 > 11 84 Cu 0.54170237339228 0.81250000000000 0.18516606692623 63.546 > 11 85 Cu 0.54170237339228 0.06250000000000 0.68516606692623 63.546 > 11 86 Cu 0.54170237339228 0.31250000000000 0.68516606692623 63.546 > 11 87 Cu 0.54170237339228 0.56250000000000 0.68516606692623 63.546 > 11 88 Cu 0.54170237339228 0.81250000000000 0.68516606692623 63.546 > 11 89 Cu 0.95829762660772 0.18750000000000 0.43516606692623 63.546 > 12 90 Cu 0.95829762660772 0.43750000000000 0.43516606692623 63.546 > 12 91 Cu 0.95829762660772 0.68750000000000 0.43516606692623 63.546 > 12 92 Cu 0.95829762660772 0.93750000000000 0.43516606692623 63.546 > 12 93 Cu 0.95829762660772 0.18750000000000 0.93516606692623 63.546 > 12 94 Cu 0.95829762660772 0.43750000000000 0.93516606692623 63.546 > 12 95 Cu 0.95829762660772 0.68750000000000 0.93516606692623 63.546 > 12 96 Cu 0.95829762660772 0.93750000000000 0.93516606692623 63.546 > 12 *97 Ho 0.63242490953458 0.18750000000000 0.00213793040024 164.930 > 13 98 Ho 0.63242490953458 0.43750000000000 0.00213793040024 164.930 > 13 99 Ho 0.63242490953458 0.68750000000000 0.00213793040024 164.930 > 13 100 Ho 0.63242490953458 0.93750000000000 0.00213793040024 164.930 > 13 101 Ho 0.63242490953458 0.18750000000000 0.50213793040024 164.930 > 13 102 Ho 0.63242490953458 0.43750000000000 0.50213793040024 164.930 > 13 103 Ho 0.63242490953458 0.68750000000000 0.50213793040024 164.930 > 13 104 Ho 0.63242490953458 0.93750000000000 0.50213793040024 164.930 > 13 105 Ho 0.36757509046542 0.06250000000000 0.49786206959976 164.930 > 14 106 Ho 0.36757509046542 0.31250000000000 0.49786206959976 164.930 > 14 107 Ho 0.36757509046542 0.56250000000000 0.49786206959976 164.930 > 14 108 Ho 0.36757509046542 0.81250000000000 0.49786206959976 164.930 > 14 109 Ho 0.36757509046542 0.06250000000000 0.99786206959976 164.930 > 14 110 Ho 0.36757509046542 0.31250000000000 0.99786206959976 164.930 > 14 111 Ho 0.36757509046542 0.56250000000000 0.99786206959976 164.930 > 14 112 Ho 0.36757509046542 0.81250000000000 0.99786206959976 164.930 > 14 113 Ho 0.86757509046542 0.06250000000000 0.25213793040024 164.930 > 15 114 Ho 0.86757509046542 0.31250000000000 0.25213793040024 164.930 > 15 115 Ho 0.86757509046542 0.56250000000000 0.25213793040024 164.930 > 15 116 Ho 0.86757509046542 0.81250000000000 0.25213793040024 164.930 > 15 117 Ho 0.86757509046542 0.06250000000000 0.75213793040024 164.930 > 15 118 Ho 0.86757509046542 0.31250000000000 0.75213793040024 164.930 > 15 119 Ho 0.86757509046542 0.56250000000000 0.75213793040024 164.930 > 15 120 Ho 0.86757509046542 0.81250000000000 0.75213793040024 164.930 > 15 121 Ho 0.13242490953458 0.18750000000000 0.24786206959976 164.930 > 16 122 Ho 0.13242490953458 0.43750000000000 0.24786206959976 164.930 > 16 123 Ho 0.13242490953458 0.68750000000000 0.24786206959976 164.930 > 16 124 Ho 0.13242490953458 0.93750000000000 0.24786206959976 164.930 > 16 125 Ho 0.13242490953458 0.18750000000000 0.74786206959976 164.930 > 16 126 Ho 0.13242490953458 0.43750000000000 0.74786206959976 164.930 > 16 127 Ho 0.13242490953458 0.68750000000000 0.74786206959976 164.930 > 16 128 Ho 0.13242490953458 0.93750000000000 0.74786206959976 164.930 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6122216 0.0000000 0.0000000 0.0000000 9.7466498 0.0000000 0.0000000 0.0000000 8.9163767 -------------------------- Born effective charges -------------------------- 1 S -2.6293385 0.0000000 -1.1053173 0.0000000 -2.6442453 0.0000000 -1.0480327 0.0000000 -2.3562498 2 S -2.6293385 0.0000000 -1.1053173 0.0000000 -2.6442453 0.0000000 -1.0480327 0.0000000 -2.3562498 3 S -2.6293385 0.0000000 1.1053173 0.0000000 -2.6442453 0.0000000 1.0480327 0.0000000 -2.3562498 4 S -2.6293385 0.0000000 1.1053173 0.0000000 -2.6442453 0.0000000 1.0480327 0.0000000 -2.3562498 5 S -1.9598113 0.0000000 -0.2946657 0.0000000 -2.9506131 0.0000000 -0.0557936 0.0000000 -2.3018332 6 S -1.9598113 0.0000000 0.2946657 0.0000000 -2.9506131 0.0000000 0.0557936 0.0000000 -2.3018332 7 S -1.9598113 0.0000000 0.2946657 0.0000000 -2.9506131 0.0000000 0.0557936 0.0000000 -2.3018332 8 S -1.9598113 0.0000000 -0.2946657 0.0000000 -2.9506131 0.0000000 -0.0557936 0.0000000 -2.3018332 9 Cu 0.4928113 0.0000000 -0.0428399 0.0000000 0.8320855 0.0000000 -0.1119089 0.0000000 0.6663488 10 Cu 0.4928113 0.0000000 0.0428399 0.0000000 0.8320855 0.0000000 0.1119089 0.0000000 0.6663488 11 Cu 0.4928113 0.0000000 -0.0428399 0.0000000 0.8320855 0.0000000 -0.1119089 0.0000000 0.6663488 12 Cu 0.4928113 0.0000000 0.0428399 0.0000000 0.8320855 0.0000000 0.1119089 0.0000000 0.6663488 13 Ho 4.0963385 0.0000000 -0.2395777 0.0000000 4.7627729 0.0000000 -0.3980765 0.0000000 3.9917341 14 Ho 4.0963385 0.0000000 -0.2395777 0.0000000 4.7627729 0.0000000 -0.3980765 0.0000000 3.9917341 15 Ho 4.0963385 0.0000000 0.2395777 0.0000000 4.7627729 0.0000000 0.3980765 0.0000000 3.9917341 16 Ho 4.0963385 0.0000000 0.2395777 0.0000000 4.7627729 0.0000000 0.3980765 0.0000000 3.9917341 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1280 Number of blocks in projector: 1280 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1280, 1260), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.759 Solver_block: 200 / 240 - Time: 1.785 Solver_block: 240 / 240 - Time: 0.789 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.362 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1280 Number of blocks in projector: 1280 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1280, 1260), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:05:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:05:21]------------------------- 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 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.174629640000003 0.000000000000000 0.000000000000000 b 0.000000000000000 3.876854870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.147591140000000 Atomic positions (fractional): 1 S 0.29582643852734 0.75000000000000 0.75391048023769 32.065 2 S 0.70417356147266 0.25000000000000 0.24608951976231 32.065 3 S 0.20417356147266 0.25000000000000 0.25391048023769 32.065 4 S 0.79582643852734 0.75000000000000 0.74608951976231 32.065 5 S 0.45781714046462 0.75000000000000 0.24888993417792 32.065 6 S 0.95781714046461 0.75000000000000 0.25111006582208 32.065 7 S 0.04218285953539 0.25000000000000 0.74888993417792 32.065 8 S 0.54218285953539 0.25000000000000 0.75111006582208 32.065 9 Cu 0.45829762660772 0.75000000000000 0.62966786614754 63.546 10 Cu 0.04170237339228 0.25000000000000 0.12966786614754 63.546 11 Cu 0.54170237339228 0.25000000000000 0.37033213385246 63.546 12 Cu 0.95829762660772 0.75000000000000 0.87033213385246 63.546 13 Ho 0.63242490953458 0.75000000000000 0.00427586080048 164.930 14 Ho 0.36757509046542 0.25000000000000 0.99572413919952 164.930 15 Ho 0.86757509046542 0.25000000000000 0.50427586080048 164.930 16 Ho 0.13242490953458 0.75000000000000 0.49572413919952 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.174629640000003 0.000000000000000 0.000000000000000 b 0.000000000000000 15.507419479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.295182280000001 Atomic positions (fractional): 1 S 0.29582643852734 0.18750000000000 0.37695524011885 32.065 > 1 2 S 0.29582643852734 0.43750000000000 0.37695524011885 32.065 > 1 3 S 0.29582643852734 0.68750000000000 0.37695524011885 32.065 > 1 4 S 0.29582643852734 0.93750000000000 0.37695524011885 32.065 > 1 5 S 0.29582643852734 0.18750000000000 0.87695524011885 32.065 > 1 6 S 0.29582643852734 0.43750000000000 0.87695524011885 32.065 > 1 7 S 0.29582643852734 0.68750000000000 0.87695524011885 32.065 > 1 8 S 0.29582643852734 0.93750000000000 0.87695524011885 32.065 > 1 9 S 0.70417356147266 0.06250000000000 0.12304475988115 32.065 > 9 10 S 0.70417356147266 0.31250000000000 0.12304475988115 32.065 > 9 11 S 0.70417356147266 0.56250000000000 0.12304475988115 32.065 > 9 12 S 0.70417356147266 0.81250000000000 0.12304475988115 32.065 > 9 13 S 0.70417356147266 0.06250000000000 0.62304475988115 32.065 > 9 14 S 0.70417356147266 0.31250000000000 0.62304475988115 32.065 > 9 15 S 0.70417356147266 0.56250000000000 0.62304475988115 32.065 > 9 16 S 0.70417356147266 0.81250000000000 0.62304475988115 32.065 > 9 17 S 0.20417356147266 0.06250000000000 0.12695524011885 32.065 > 17 18 S 0.20417356147266 0.31250000000000 0.12695524011885 32.065 > 17 19 S 0.20417356147266 0.56250000000000 0.12695524011885 32.065 > 17 20 S 0.20417356147266 0.81250000000000 0.12695524011885 32.065 > 17 21 S 0.20417356147266 0.06250000000000 0.62695524011885 32.065 > 17 22 S 0.20417356147266 0.31250000000000 0.62695524011885 32.065 > 17 23 S 0.20417356147266 0.56250000000000 0.62695524011885 32.065 > 17 24 S 0.20417356147266 0.81250000000000 0.62695524011885 32.065 > 17 25 S 0.79582643852734 0.18750000000000 0.37304475988115 32.065 > 25 26 S 0.79582643852734 0.43750000000000 0.37304475988115 32.065 > 25 27 S 0.79582643852734 0.68750000000000 0.37304475988115 32.065 > 25 28 S 0.79582643852734 0.93750000000000 0.37304475988115 32.065 > 25 29 S 0.79582643852734 0.18750000000000 0.87304475988115 32.065 > 25 30 S 0.79582643852734 0.43750000000000 0.87304475988115 32.065 > 25 31 S 0.79582643852734 0.68750000000000 0.87304475988115 32.065 > 25 32 S 0.79582643852734 0.93750000000000 0.87304475988115 32.065 > 25 33 S 0.45781714046462 0.18750000000000 0.12444496708896 32.065 > 33 34 S 0.45781714046462 0.43750000000000 0.12444496708896 32.065 > 33 35 S 0.45781714046462 0.68750000000000 0.12444496708896 32.065 > 33 36 S 0.45781714046462 0.93750000000000 0.12444496708896 32.065 > 33 37 S 0.45781714046462 0.18750000000000 0.62444496708896 32.065 > 33 38 S 0.45781714046462 0.43750000000000 0.62444496708896 32.065 > 33 39 S 0.45781714046462 0.68750000000000 0.62444496708896 32.065 > 33 40 S 0.45781714046462 0.93750000000000 0.62444496708896 32.065 > 33 41 S 0.95781714046461 0.18750000000000 0.12555503291104 32.065 > 41 42 S 0.95781714046461 0.43750000000000 0.12555503291104 32.065 > 41 43 S 0.95781714046461 0.68750000000000 0.12555503291104 32.065 > 41 44 S 0.95781714046461 0.93750000000000 0.12555503291104 32.065 > 41 45 S 0.95781714046461 0.18750000000000 0.62555503291104 32.065 > 41 46 S 0.95781714046461 0.43750000000000 0.62555503291104 32.065 > 41 47 S 0.95781714046461 0.68750000000000 0.62555503291104 32.065 > 41 48 S 0.95781714046461 0.93750000000000 0.62555503291104 32.065 > 41 49 S 0.04218285953539 0.06250000000000 0.37444496708896 32.065 > 49 50 S 0.04218285953539 0.31250000000000 0.37444496708896 32.065 > 49 51 S 0.04218285953539 0.56250000000000 0.37444496708896 32.065 > 49 52 S 0.04218285953539 0.81250000000000 0.37444496708896 32.065 > 49 53 S 0.04218285953539 0.06250000000000 0.87444496708896 32.065 > 49 54 S 0.04218285953539 0.31250000000000 0.87444496708896 32.065 > 49 55 S 0.04218285953539 0.56250000000000 0.87444496708896 32.065 > 49 56 S 0.04218285953539 0.81250000000000 0.87444496708896 32.065 > 49 57 S 0.54218285953539 0.06250000000000 0.37555503291104 32.065 > 57 58 S 0.54218285953539 0.31250000000000 0.37555503291104 32.065 > 57 59 S 0.54218285953539 0.56250000000000 0.37555503291104 32.065 > 57 60 S 0.54218285953539 0.81250000000000 0.37555503291104 32.065 > 57 61 S 0.54218285953539 0.06250000000000 0.87555503291104 32.065 > 57 62 S 0.54218285953539 0.31250000000000 0.87555503291104 32.065 > 57 63 S 0.54218285953539 0.56250000000000 0.87555503291104 32.065 > 57 64 S 0.54218285953539 0.81250000000000 0.87555503291104 32.065 > 57 65 Cu 0.45829762660772 0.18750000000000 0.31483393307377 63.546 > 65 66 Cu 0.45829762660772 0.43750000000000 0.31483393307377 63.546 > 65 67 Cu 0.45829762660772 0.68750000000000 0.31483393307377 63.546 > 65 68 Cu 0.45829762660772 0.93750000000000 0.31483393307377 63.546 > 65 69 Cu 0.45829762660772 0.18750000000000 0.81483393307377 63.546 > 65 70 Cu 0.45829762660772 0.43750000000000 0.81483393307377 63.546 > 65 71 Cu 0.45829762660772 0.68750000000000 0.81483393307377 63.546 > 65 72 Cu 0.45829762660772 0.93750000000000 0.81483393307377 63.546 > 65 73 Cu 0.04170237339228 0.06250000000000 0.06483393307377 63.546 > 73 74 Cu 0.04170237339228 0.31250000000000 0.06483393307377 63.546 > 73 75 Cu 0.04170237339228 0.56250000000000 0.06483393307377 63.546 > 73 76 Cu 0.04170237339228 0.81250000000000 0.06483393307377 63.546 > 73 77 Cu 0.04170237339228 0.06250000000000 0.56483393307377 63.546 > 73 78 Cu 0.04170237339228 0.31250000000000 0.56483393307377 63.546 > 73 79 Cu 0.04170237339228 0.56250000000000 0.56483393307377 63.546 > 73 80 Cu 0.04170237339228 0.81250000000000 0.56483393307377 63.546 > 73 81 Cu 0.54170237339228 0.06250000000000 0.18516606692623 63.546 > 81 82 Cu 0.54170237339228 0.31250000000000 0.18516606692623 63.546 > 81 83 Cu 0.54170237339228 0.56250000000000 0.18516606692623 63.546 > 81 84 Cu 0.54170237339228 0.81250000000000 0.18516606692623 63.546 > 81 85 Cu 0.54170237339228 0.06250000000000 0.68516606692623 63.546 > 81 86 Cu 0.54170237339228 0.31250000000000 0.68516606692623 63.546 > 81 87 Cu 0.54170237339228 0.56250000000000 0.68516606692623 63.546 > 81 88 Cu 0.54170237339228 0.81250000000000 0.68516606692623 63.546 > 81 89 Cu 0.95829762660772 0.18750000000000 0.43516606692623 63.546 > 89 90 Cu 0.95829762660772 0.43750000000000 0.43516606692623 63.546 > 89 91 Cu 0.95829762660772 0.68750000000000 0.43516606692623 63.546 > 89 92 Cu 0.95829762660772 0.93750000000000 0.43516606692623 63.546 > 89 93 Cu 0.95829762660772 0.18750000000000 0.93516606692623 63.546 > 89 94 Cu 0.95829762660772 0.43750000000000 0.93516606692623 63.546 > 89 95 Cu 0.95829762660772 0.68750000000000 0.93516606692623 63.546 > 89 96 Cu 0.95829762660772 0.93750000000000 0.93516606692623 63.546 > 89 97 Ho 0.63242490953458 0.18750000000000 0.00213793040024 164.930 > 97 98 Ho 0.63242490953458 0.43750000000000 0.00213793040024 164.930 > 97 99 Ho 0.63242490953458 0.68750000000000 0.00213793040024 164.930 > 97 100 Ho 0.63242490953458 0.93750000000000 0.00213793040024 164.930 > 97 101 Ho 0.63242490953458 0.18750000000000 0.50213793040024 164.930 > 97 102 Ho 0.63242490953458 0.43750000000000 0.50213793040024 164.930 > 97 103 Ho 0.63242490953458 0.68750000000000 0.50213793040024 164.930 > 97 104 Ho 0.63242490953458 0.93750000000000 0.50213793040024 164.930 > 97 105 Ho 0.36757509046542 0.06250000000000 0.49786206959976 164.930 > 105 106 Ho 0.36757509046542 0.31250000000000 0.49786206959976 164.930 > 105 107 Ho 0.36757509046542 0.56250000000000 0.49786206959976 164.930 > 105 108 Ho 0.36757509046542 0.81250000000000 0.49786206959976 164.930 > 105 109 Ho 0.36757509046542 0.06250000000000 0.99786206959976 164.930 > 105 110 Ho 0.36757509046542 0.31250000000000 0.99786206959976 164.930 > 105 111 Ho 0.36757509046542 0.56250000000000 0.99786206959976 164.930 > 105 112 Ho 0.36757509046542 0.81250000000000 0.99786206959976 164.930 > 105 113 Ho 0.86757509046542 0.06250000000000 0.25213793040024 164.930 > 113 114 Ho 0.86757509046542 0.31250000000000 0.25213793040024 164.930 > 113 115 Ho 0.86757509046542 0.56250000000000 0.25213793040024 164.930 > 113 116 Ho 0.86757509046542 0.81250000000000 0.25213793040024 164.930 > 113 117 Ho 0.86757509046542 0.06250000000000 0.75213793040024 164.930 > 113 118 Ho 0.86757509046542 0.31250000000000 0.75213793040024 164.930 > 113 119 Ho 0.86757509046542 0.56250000000000 0.75213793040024 164.930 > 113 120 Ho 0.86757509046542 0.81250000000000 0.75213793040024 164.930 > 113 121 Ho 0.13242490953458 0.18750000000000 0.24786206959976 164.930 > 121 122 Ho 0.13242490953458 0.43750000000000 0.24786206959976 164.930 > 121 123 Ho 0.13242490953458 0.68750000000000 0.24786206959976 164.930 > 121 124 Ho 0.13242490953458 0.93750000000000 0.24786206959976 164.930 > 121 125 Ho 0.13242490953458 0.18750000000000 0.74786206959976 164.930 > 121 126 Ho 0.13242490953458 0.43750000000000 0.74786206959976 164.930 > 121 127 Ho 0.13242490953458 0.68750000000000 0.74786206959976 164.930 > 121 128 Ho 0.13242490953458 0.93750000000000 0.74786206959976 164.930 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6122216 0.0000000 0.0000000 0.0000000 9.7466498 0.0000000 0.0000000 0.0000000 8.9163767 -------------------------- Born effective charges -------------------------- 1 S -2.6293385 0.0000000 -1.1053173 0.0000000 -2.6442453 0.0000000 -1.0480327 0.0000000 -2.3562498 2 S -2.6293385 0.0000000 -1.1053173 0.0000000 -2.6442453 0.0000000 -1.0480327 0.0000000 -2.3562498 3 S -2.6293385 0.0000000 1.1053173 0.0000000 -2.6442453 0.0000000 1.0480327 0.0000000 -2.3562498 4 S -2.6293385 0.0000000 1.1053173 0.0000000 -2.6442453 0.0000000 1.0480327 0.0000000 -2.3562498 5 S -1.9598113 0.0000000 -0.2946657 0.0000000 -2.9506131 0.0000000 -0.0557936 0.0000000 -2.3018332 6 S -1.9598113 0.0000000 0.2946657 0.0000000 -2.9506131 0.0000000 0.0557936 0.0000000 -2.3018332 7 S -1.9598113 0.0000000 0.2946657 0.0000000 -2.9506131 0.0000000 0.0557936 0.0000000 -2.3018332 8 S -1.9598113 0.0000000 -0.2946657 0.0000000 -2.9506131 0.0000000 -0.0557936 0.0000000 -2.3018332 9 Cu 0.4928113 0.0000000 -0.0428399 0.0000000 0.8320855 0.0000000 -0.1119089 0.0000000 0.6663488 10 Cu 0.4928113 0.0000000 0.0428399 0.0000000 0.8320855 0.0000000 0.1119089 0.0000000 0.6663488 11 Cu 0.4928113 0.0000000 -0.0428399 0.0000000 0.8320855 0.0000000 -0.1119089 0.0000000 0.6663488 12 Cu 0.4928113 0.0000000 0.0428399 0.0000000 0.8320855 0.0000000 0.1119089 0.0000000 0.6663488 13 Ho 4.0963385 0.0000000 -0.2395777 0.0000000 4.7627729 0.0000000 -0.3980765 0.0000000 3.9917341 14 Ho 4.0963385 0.0000000 -0.2395777 0.0000000 4.7627729 0.0000000 -0.3980765 0.0000000 3.9917341 15 Ho 4.0963385 0.0000000 0.2395777 0.0000000 4.7627729 0.0000000 0.3980765 0.0000000 3.9917341 16 Ho 4.0963385 0.0000000 0.2395777 0.0000000 4.7627729 0.0000000 0.3980765 0.0000000 3.9917341 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, 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[ 97, 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: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:05:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:05:38]------------------------- 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 4 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.174629640000003 0.000000000000000 0.000000000000000 b 0.000000000000000 3.876854870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.147591140000000 Atomic positions (fractional): 1 S 0.29582643852734 0.75000000000000 0.75391048023769 32.065 2 S 0.70417356147266 0.25000000000000 0.24608951976231 32.065 3 S 0.20417356147266 0.25000000000000 0.25391048023769 32.065 4 S 0.79582643852734 0.75000000000000 0.74608951976231 32.065 5 S 0.45781714046462 0.75000000000000 0.24888993417792 32.065 6 S 0.95781714046461 0.75000000000000 0.25111006582208 32.065 7 S 0.04218285953539 0.25000000000000 0.74888993417792 32.065 8 S 0.54218285953539 0.25000000000000 0.75111006582208 32.065 9 Cu 0.45829762660772 0.75000000000000 0.62966786614754 63.546 10 Cu 0.04170237339228 0.25000000000000 0.12966786614754 63.546 11 Cu 0.54170237339228 0.25000000000000 0.37033213385246 63.546 12 Cu 0.95829762660772 0.75000000000000 0.87033213385246 63.546 13 Ho 0.63242490953458 0.75000000000000 0.00427586080048 164.930 14 Ho 0.36757509046542 0.25000000000000 0.99572413919952 164.930 15 Ho 0.86757509046542 0.25000000000000 0.50427586080048 164.930 16 Ho 0.13242490953458 0.75000000000000 0.49572413919952 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.174629640000003 0.000000000000000 0.000000000000000 b 0.000000000000000 15.507419479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.295182280000001 Atomic positions (fractional): 1 S 0.29582643852734 0.18750000000000 0.37695524011885 32.065 > 1 2 S 0.29582643852734 0.43750000000000 0.37695524011885 32.065 > 1 3 S 0.29582643852734 0.68750000000000 0.37695524011885 32.065 > 1 4 S 0.29582643852734 0.93750000000000 0.37695524011885 32.065 > 1 5 S 0.29582643852734 0.18750000000000 0.87695524011885 32.065 > 1 6 S 0.29582643852734 0.43750000000000 0.87695524011885 32.065 > 1 7 S 0.29582643852734 0.68750000000000 0.87695524011885 32.065 > 1 8 S 0.29582643852734 0.93750000000000 0.87695524011885 32.065 > 1 9 S 0.70417356147266 0.06250000000000 0.12304475988115 32.065 > 9 10 S 0.70417356147266 0.31250000000000 0.12304475988115 32.065 > 9 11 S 0.70417356147266 0.56250000000000 0.12304475988115 32.065 > 9 12 S 0.70417356147266 0.81250000000000 0.12304475988115 32.065 > 9 13 S 0.70417356147266 0.06250000000000 0.62304475988115 32.065 > 9 14 S 0.70417356147266 0.31250000000000 0.62304475988115 32.065 > 9 15 S 0.70417356147266 0.56250000000000 0.62304475988115 32.065 > 9 16 S 0.70417356147266 0.81250000000000 0.62304475988115 32.065 > 9 17 S 0.20417356147266 0.06250000000000 0.12695524011885 32.065 > 17 18 S 0.20417356147266 0.31250000000000 0.12695524011885 32.065 > 17 19 S 0.20417356147266 0.56250000000000 0.12695524011885 32.065 > 17 20 S 0.20417356147266 0.81250000000000 0.12695524011885 32.065 > 17 21 S 0.20417356147266 0.06250000000000 0.62695524011885 32.065 > 17 22 S 0.20417356147266 0.31250000000000 0.62695524011885 32.065 > 17 23 S 0.20417356147266 0.56250000000000 0.62695524011885 32.065 > 17 24 S 0.20417356147266 0.81250000000000 0.62695524011885 32.065 > 17 25 S 0.79582643852734 0.18750000000000 0.37304475988115 32.065 > 25 26 S 0.79582643852734 0.43750000000000 0.37304475988115 32.065 > 25 27 S 0.79582643852734 0.68750000000000 0.37304475988115 32.065 > 25 28 S 0.79582643852734 0.93750000000000 0.37304475988115 32.065 > 25 29 S 0.79582643852734 0.18750000000000 0.87304475988115 32.065 > 25 30 S 0.79582643852734 0.43750000000000 0.87304475988115 32.065 > 25 31 S 0.79582643852734 0.68750000000000 0.87304475988115 32.065 > 25 32 S 0.79582643852734 0.93750000000000 0.87304475988115 32.065 > 25 33 S 0.45781714046462 0.18750000000000 0.12444496708896 32.065 > 33 34 S 0.45781714046462 0.43750000000000 0.12444496708896 32.065 > 33 35 S 0.45781714046462 0.68750000000000 0.12444496708896 32.065 > 33 36 S 0.45781714046462 0.93750000000000 0.12444496708896 32.065 > 33 37 S 0.45781714046462 0.18750000000000 0.62444496708896 32.065 > 33 38 S 0.45781714046462 0.43750000000000 0.62444496708896 32.065 > 33 39 S 0.45781714046462 0.68750000000000 0.62444496708896 32.065 > 33 40 S 0.45781714046462 0.93750000000000 0.62444496708896 32.065 > 33 41 S 0.95781714046461 0.18750000000000 0.12555503291104 32.065 > 41 42 S 0.95781714046461 0.43750000000000 0.12555503291104 32.065 > 41 43 S 0.95781714046461 0.68750000000000 0.12555503291104 32.065 > 41 44 S 0.95781714046461 0.93750000000000 0.12555503291104 32.065 > 41 45 S 0.95781714046461 0.18750000000000 0.62555503291104 32.065 > 41 46 S 0.95781714046461 0.43750000000000 0.62555503291104 32.065 > 41 47 S 0.95781714046461 0.68750000000000 0.62555503291104 32.065 > 41 48 S 0.95781714046461 0.93750000000000 0.62555503291104 32.065 > 41 49 S 0.04218285953539 0.06250000000000 0.37444496708896 32.065 > 49 50 S 0.04218285953539 0.31250000000000 0.37444496708896 32.065 > 49 51 S 0.04218285953539 0.56250000000000 0.37444496708896 32.065 > 49 52 S 0.04218285953539 0.81250000000000 0.37444496708896 32.065 > 49 53 S 0.04218285953539 0.06250000000000 0.87444496708896 32.065 > 49 54 S 0.04218285953539 0.31250000000000 0.87444496708896 32.065 > 49 55 S 0.04218285953539 0.56250000000000 0.87444496708896 32.065 > 49 56 S 0.04218285953539 0.81250000000000 0.87444496708896 32.065 > 49 57 S 0.54218285953539 0.06250000000000 0.37555503291104 32.065 > 57 58 S 0.54218285953539 0.31250000000000 0.37555503291104 32.065 > 57 59 S 0.54218285953539 0.56250000000000 0.37555503291104 32.065 > 57 60 S 0.54218285953539 0.81250000000000 0.37555503291104 32.065 > 57 61 S 0.54218285953539 0.06250000000000 0.87555503291104 32.065 > 57 62 S 0.54218285953539 0.31250000000000 0.87555503291104 32.065 > 57 63 S 0.54218285953539 0.56250000000000 0.87555503291104 32.065 > 57 64 S 0.54218285953539 0.81250000000000 0.87555503291104 32.065 > 57 65 Cu 0.45829762660772 0.18750000000000 0.31483393307377 63.546 > 65 66 Cu 0.45829762660772 0.43750000000000 0.31483393307377 63.546 > 65 67 Cu 0.45829762660772 0.68750000000000 0.31483393307377 63.546 > 65 68 Cu 0.45829762660772 0.93750000000000 0.31483393307377 63.546 > 65 69 Cu 0.45829762660772 0.18750000000000 0.81483393307377 63.546 > 65 70 Cu 0.45829762660772 0.43750000000000 0.81483393307377 63.546 > 65 71 Cu 0.45829762660772 0.68750000000000 0.81483393307377 63.546 > 65 72 Cu 0.45829762660772 0.93750000000000 0.81483393307377 63.546 > 65 73 Cu 0.04170237339228 0.06250000000000 0.06483393307377 63.546 > 73 74 Cu 0.04170237339228 0.31250000000000 0.06483393307377 63.546 > 73 75 Cu 0.04170237339228 0.56250000000000 0.06483393307377 63.546 > 73 76 Cu 0.04170237339228 0.81250000000000 0.06483393307377 63.546 > 73 77 Cu 0.04170237339228 0.06250000000000 0.56483393307377 63.546 > 73 78 Cu 0.04170237339228 0.31250000000000 0.56483393307377 63.546 > 73 79 Cu 0.04170237339228 0.56250000000000 0.56483393307377 63.546 > 73 80 Cu 0.04170237339228 0.81250000000000 0.56483393307377 63.546 > 73 81 Cu 0.54170237339228 0.06250000000000 0.18516606692623 63.546 > 81 82 Cu 0.54170237339228 0.31250000000000 0.18516606692623 63.546 > 81 83 Cu 0.54170237339228 0.56250000000000 0.18516606692623 63.546 > 81 84 Cu 0.54170237339228 0.81250000000000 0.18516606692623 63.546 > 81 85 Cu 0.54170237339228 0.06250000000000 0.68516606692623 63.546 > 81 86 Cu 0.54170237339228 0.31250000000000 0.68516606692623 63.546 > 81 87 Cu 0.54170237339228 0.56250000000000 0.68516606692623 63.546 > 81 88 Cu 0.54170237339228 0.81250000000000 0.68516606692623 63.546 > 81 89 Cu 0.95829762660772 0.18750000000000 0.43516606692623 63.546 > 89 90 Cu 0.95829762660772 0.43750000000000 0.43516606692623 63.546 > 89 91 Cu 0.95829762660772 0.68750000000000 0.43516606692623 63.546 > 89 92 Cu 0.95829762660772 0.93750000000000 0.43516606692623 63.546 > 89 93 Cu 0.95829762660772 0.18750000000000 0.93516606692623 63.546 > 89 94 Cu 0.95829762660772 0.43750000000000 0.93516606692623 63.546 > 89 95 Cu 0.95829762660772 0.68750000000000 0.93516606692623 63.546 > 89 96 Cu 0.95829762660772 0.93750000000000 0.93516606692623 63.546 > 89 97 Ho 0.63242490953458 0.18750000000000 0.00213793040024 164.930 > 97 98 Ho 0.63242490953458 0.43750000000000 0.00213793040024 164.930 > 97 99 Ho 0.63242490953458 0.68750000000000 0.00213793040024 164.930 > 97 100 Ho 0.63242490953458 0.93750000000000 0.00213793040024 164.930 > 97 101 Ho 0.63242490953458 0.18750000000000 0.50213793040024 164.930 > 97 102 Ho 0.63242490953458 0.43750000000000 0.50213793040024 164.930 > 97 103 Ho 0.63242490953458 0.68750000000000 0.50213793040024 164.930 > 97 104 Ho 0.63242490953458 0.93750000000000 0.50213793040024 164.930 > 97 105 Ho 0.36757509046542 0.06250000000000 0.49786206959976 164.930 > 105 106 Ho 0.36757509046542 0.31250000000000 0.49786206959976 164.930 > 105 107 Ho 0.36757509046542 0.56250000000000 0.49786206959976 164.930 > 105 108 Ho 0.36757509046542 0.81250000000000 0.49786206959976 164.930 > 105 109 Ho 0.36757509046542 0.06250000000000 0.99786206959976 164.930 > 105 110 Ho 0.36757509046542 0.31250000000000 0.99786206959976 164.930 > 105 111 Ho 0.36757509046542 0.56250000000000 0.99786206959976 164.930 > 105 112 Ho 0.36757509046542 0.81250000000000 0.99786206959976 164.930 > 105 113 Ho 0.86757509046542 0.06250000000000 0.25213793040024 164.930 > 113 114 Ho 0.86757509046542 0.31250000000000 0.25213793040024 164.930 > 113 115 Ho 0.86757509046542 0.56250000000000 0.25213793040024 164.930 > 113 116 Ho 0.86757509046542 0.81250000000000 0.25213793040024 164.930 > 113 117 Ho 0.86757509046542 0.06250000000000 0.75213793040024 164.930 > 113 118 Ho 0.86757509046542 0.31250000000000 0.75213793040024 164.930 > 113 119 Ho 0.86757509046542 0.56250000000000 0.75213793040024 164.930 > 113 120 Ho 0.86757509046542 0.81250000000000 0.75213793040024 164.930 > 113 121 Ho 0.13242490953458 0.18750000000000 0.24786206959976 164.930 > 121 122 Ho 0.13242490953458 0.43750000000000 0.24786206959976 164.930 > 121 123 Ho 0.13242490953458 0.68750000000000 0.24786206959976 164.930 > 121 124 Ho 0.13242490953458 0.93750000000000 0.24786206959976 164.930 > 121 125 Ho 0.13242490953458 0.18750000000000 0.74786206959976 164.930 > 121 126 Ho 0.13242490953458 0.43750000000000 0.74786206959976 164.930 > 121 127 Ho 0.13242490953458 0.68750000000000 0.74786206959976 164.930 > 121 128 Ho 0.13242490953458 0.93750000000000 0.74786206959976 164.930 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.6122216 0.0000000 0.0000000 0.0000000 9.7466498 0.0000000 0.0000000 0.0000000 8.9163767 -------------------------- Born effective charges -------------------------- 1 S -2.6293385 0.0000000 -1.1053173 0.0000000 -2.6442453 0.0000000 -1.0480327 0.0000000 -2.3562498 2 S -2.6293385 0.0000000 -1.1053173 0.0000000 -2.6442453 0.0000000 -1.0480327 0.0000000 -2.3562498 3 S -2.6293385 0.0000000 1.1053173 0.0000000 -2.6442453 0.0000000 1.0480327 0.0000000 -2.3562498 4 S -2.6293385 0.0000000 1.1053173 0.0000000 -2.6442453 0.0000000 1.0480327 0.0000000 -2.3562498 5 S -1.9598113 0.0000000 -0.2946657 0.0000000 -2.9506131 0.0000000 -0.0557936 0.0000000 -2.3018332 6 S -1.9598113 0.0000000 0.2946657 0.0000000 -2.9506131 0.0000000 0.0557936 0.0000000 -2.3018332 7 S -1.9598113 0.0000000 0.2946657 0.0000000 -2.9506131 0.0000000 0.0557936 0.0000000 -2.3018332 8 S -1.9598113 0.0000000 -0.2946657 0.0000000 -2.9506131 0.0000000 -0.0557936 0.0000000 -2.3018332 9 Cu 0.4928113 0.0000000 -0.0428399 0.0000000 0.8320855 0.0000000 -0.1119089 0.0000000 0.6663488 10 Cu 0.4928113 0.0000000 0.0428399 0.0000000 0.8320855 0.0000000 0.1119089 0.0000000 0.6663488 11 Cu 0.4928113 0.0000000 -0.0428399 0.0000000 0.8320855 0.0000000 -0.1119089 0.0000000 0.6663488 12 Cu 0.4928113 0.0000000 0.0428399 0.0000000 0.8320855 0.0000000 0.1119089 0.0000000 0.6663488 13 Ho 4.0963385 0.0000000 -0.2395777 0.0000000 4.7627729 0.0000000 -0.3980765 0.0000000 3.9917341 14 Ho 4.0963385 0.0000000 -0.2395777 0.0000000 4.7627729 0.0000000 -0.3980765 0.0000000 3.9917341 15 Ho 4.0963385 0.0000000 0.2395777 0.0000000 4.7627729 0.0000000 0.3980765 0.0000000 3.9917341 16 Ho 4.0963385 0.0000000 0.2395777 0.0000000 4.7627729 0.0000000 0.3980765 0.0000000 3.9917341 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 13 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 295, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 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| -0.000 ( 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 0.936 ( 0.000 0.000 0.000) 0.000 1.618 ( 0.000 0.000 0.000) 0.000 1.864 ( 0.000 0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 2.074 ( 0.000 0.000 0.000) 0.000 2.297 ( 0.000 0.000 0.000) 0.000 2.467 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.745 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.775 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 0.000) 0.000 6.426 ( 0.000 0.000 0.000) 0.000 6.481 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.274 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 7.487 ( 0.000 0.000 0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 7.773 ( 0.000 0.000 0.000) 0.000 7.814 ( 0.000 0.000 0.000) 0.000 8.280 ( 0.000 0.000 0.000) 0.000 9.618 ( 0.000 0.000 0.000) 0.000 9.635 ( 0.000 0.000 0.000) 0.000 9.930 ( 0.000 0.000 0.000) 0.000 10.005 ( 0.000 0.000 0.000) 0.000 10.490 ( 0.000 0.000 0.000) 0.000 11.104 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 17.397 0.000 0.000) 17.397 0.529 ( 26.951 0.000 0.000) 26.951 0.797 ( 40.863 0.000 0.000) 40.863 0.858 ( -8.020 0.000 0.000) 8.020 1.408 ( -17.150 0.000 0.000) 17.150 1.983 ( 1.908 0.000 0.000) 1.908 1.998 ( 8.503 0.000 0.000) 8.503 2.061 ( -1.371 0.000 0.000) 1.371 2.168 ( -24.309 0.000 0.000) 24.309 2.271 ( -7.407 0.000 0.000) 7.407 2.517 ( 0.030 0.000 0.000) 0.030 2.519 ( -0.027 0.000 0.000) 0.027 2.552 ( 3.612 0.000 0.000) 3.612 2.672 ( -2.765 0.000 0.000) 2.765 2.753 ( 0.379 0.000 0.000) 0.379 2.771 ( -0.377 0.000 0.000) 0.377 3.098 ( 2.239 0.000 0.000) 2.239 3.126 ( -0.179 0.000 0.000) 0.179 3.207 ( 3.361 0.000 0.000) 3.361 3.373 ( 1.087 0.000 0.000) 1.087 3.822 ( 0.838 0.000 0.000) 0.838 4.094 ( -5.450 0.000 0.000) 5.450 4.180 ( 12.014 0.000 0.000) 12.014 4.531 ( -5.246 0.000 0.000) 5.246 6.288 ( 2.611 0.000 0.000) 2.611 6.439 ( -3.907 0.000 0.000) 3.907 6.531 ( 2.936 0.000 0.000) 2.936 6.656 ( -1.783 0.000 0.000) 1.783 6.940 ( -0.924 0.000 0.000) 0.924 6.966 ( 3.619 0.000 0.000) 3.619 6.999 ( -2.217 0.000 0.000) 2.217 7.084 ( 3.240 0.000 0.000) 3.240 7.105 ( -2.438 0.000 0.000) 2.438 7.215 ( -3.884 0.000 0.000) 3.884 7.407 ( 4.107 0.000 0.000) 4.107 7.519 ( -1.503 0.000 0.000) 1.503 7.538 ( 0.647 0.000 0.000) 0.647 7.569 ( -0.623 0.000 0.000) 0.623 7.779 ( 0.638 0.000 0.000) 0.638 7.808 ( -0.557 0.000 0.000) 0.557 8.284 ( 0.472 0.000 0.000) 0.472 8.307 ( -0.446 0.000 0.000) 0.446 9.621 ( 0.280 0.000 0.000) 0.280 9.633 ( -0.206 0.000 0.000) 0.206 9.940 ( 1.054 0.000 0.000) 1.054 9.994 ( -1.146 0.000 0.000) 1.146 11.110 ( 0.622 0.000 0.000) 0.622 11.139 ( -0.573 0.000 0.000) 0.573 ======================= Grid point 2 (3/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -13.911 0.000 0.000) 13.911 0.646 ( 13.911 0.000 0.000) 13.911 1.006 ( -22.786 0.000 0.000) 22.786 1.006 ( 22.786 0.000 0.000) 22.786 1.555 ( -36.550 0.000 0.000) 36.550 1.555 ( 36.550 0.000 0.000) 36.550 2.025 ( -2.246 0.000 0.000) 2.246 2.025 ( 2.246 0.000 0.000) 2.246 2.148 ( -7.146 0.000 0.000) 7.146 2.148 ( 7.146 0.000 0.000) 7.146 2.518 ( -0.041 0.000 0.000) 0.041 2.518 ( 0.041 0.000 0.000) 0.041 2.623 ( -3.202 0.000 0.000) 3.202 2.623 ( 3.202 0.000 0.000) 3.202 2.762 ( -0.535 0.000 0.000) 0.535 2.762 ( 0.535 0.000 0.000) 0.535 3.120 ( -0.540 0.000 0.000) 0.540 3.120 ( 0.540 0.000 0.000) 0.540 3.301 ( -6.048 0.000 0.000) 6.048 3.301 ( 6.048 0.000 0.000) 6.048 3.949 ( -9.099 0.000 0.000) 9.099 3.949 ( 9.099 0.000 0.000) 9.099 4.389 ( -9.532 0.000 0.000) 9.532 4.389 ( 9.532 0.000 0.000) 9.532 6.356 ( -4.326 0.000 0.000) 4.326 6.356 ( 4.326 0.000 0.000) 4.326 6.600 ( -3.806 0.000 0.000) 3.806 6.600 ( 3.806 0.000 0.000) 3.806 6.953 ( -2.083 0.000 0.000) 2.083 6.953 ( 2.083 0.000 0.000) 2.083 7.042 ( -3.991 0.000 0.000) 3.991 7.042 ( 3.991 0.000 0.000) 3.991 7.147 ( -3.377 0.000 0.000) 3.377 7.147 ( 3.377 0.000 0.000) 3.377 7.476 ( -3.007 0.000 0.000) 3.007 7.476 ( 3.007 0.000 0.000) 3.007 7.554 ( -0.894 0.000 0.000) 0.894 7.554 ( 0.894 0.000 0.000) 0.894 7.794 ( -0.841 0.000 0.000) 0.841 7.794 ( 0.841 0.000 0.000) 0.841 8.296 ( -0.649 0.000 0.000) 0.649 8.296 ( 0.649 0.000 0.000) 0.649 9.627 ( -0.339 0.000 0.000) 0.339 9.627 ( 0.339 0.000 0.000) 0.339 9.966 ( -1.557 0.000 0.000) 1.557 9.966 ( 1.557 0.000 0.000) 1.557 11.125 ( -0.843 0.000 0.000) 0.843 11.125 ( 0.843 0.000 0.000) 0.843 ======================= Grid point 5 (4/105) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 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| 0.370 ( 0.000 19.834 0.000) 19.834 0.390 ( 0.000 20.298 0.000) 20.298 0.957 ( 0.000 46.386 0.000) 46.386 1.268 ( 0.000 27.257 0.000) 27.257 1.656 ( 0.000 3.937 0.000) 3.937 1.821 ( 0.000 -2.174 0.000) 2.174 1.937 ( 0.000 -2.144 0.000) 2.144 2.219 ( 0.000 11.589 0.000) 11.589 2.289 ( 0.000 -0.485 0.000) 0.485 2.484 ( 0.000 0.472 0.000) 0.472 2.491 ( 0.000 -1.237 0.000) 1.237 2.539 ( 0.000 2.033 0.000) 2.033 2.619 ( 0.000 4.029 0.000) 4.029 2.719 ( 0.000 -2.269 0.000) 2.269 2.797 ( 0.000 3.499 0.000) 3.499 2.797 ( 0.000 4.349 0.000) 4.349 2.901 ( 0.000 3.697 0.000) 3.697 3.115 ( 0.000 -1.245 0.000) 1.245 3.152 ( 0.000 10.149 0.000) 10.149 3.305 ( 0.000 -0.699 0.000) 0.699 3.895 ( 0.000 -2.375 0.000) 2.375 3.942 ( 0.000 -3.263 0.000) 3.263 4.106 ( 0.000 -3.970 0.000) 3.970 4.509 ( 0.000 -3.655 0.000) 3.655 6.427 ( 0.000 0.376 0.000) 0.376 6.455 ( 0.000 -3.560 0.000) 3.560 6.687 ( 0.000 1.707 0.000) 1.707 6.711 ( 0.000 21.089 0.000) 21.089 6.938 ( 0.000 0.581 0.000) 0.581 7.012 ( 0.000 -1.062 0.000) 1.062 7.032 ( 0.000 -0.927 0.000) 0.927 7.168 ( 0.000 3.091 0.000) 3.091 7.267 ( 0.000 -0.674 0.000) 0.674 7.367 ( 0.000 2.137 0.000) 2.137 7.477 ( 0.000 -0.977 0.000) 0.977 7.546 ( 0.000 1.924 0.000) 1.924 7.598 ( 0.000 2.288 0.000) 2.288 7.630 ( 0.000 3.475 0.000) 3.475 7.873 ( 0.000 5.142 0.000) 5.142 7.888 ( 0.000 11.562 0.000) 11.562 8.366 ( 0.000 8.510 0.000) 8.510 8.728 ( 0.000 1.318 0.000) 1.318 9.592 ( 0.000 -2.554 0.000) 2.554 9.608 ( 0.000 -2.571 0.000) 2.571 9.923 ( 0.000 -0.698 0.000) 0.698 9.991 ( 0.000 -1.375 0.000) 1.375 10.464 ( 0.000 -2.478 0.000) 2.478 11.000 ( 0.000 -9.780 0.000) 9.780 ======================= Grid point 6 (5/105) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 20.484 10.283 0.000) 22.920 0.695 ( 20.068 13.659 0.000) 24.275 1.111 ( 15.539 32.284 0.000) 35.829 1.195 ( -7.331 25.910 0.000) 26.927 1.448 ( -14.120 6.476 0.000) 15.534 1.915 ( -4.418 -2.330 0.000) 4.995 1.942 ( 7.531 -1.419 0.000) 7.663 2.223 ( 0.253 11.686 0.000) 11.689 2.225 ( -8.370 1.260 0.000) 8.464 2.354 ( -10.775 8.286 0.000) 13.593 2.515 ( 2.341 -1.994 0.000) 3.075 2.540 ( 0.105 2.178 0.000) 2.180 2.570 ( -2.040 3.909 0.000) 4.410 2.613 ( -3.558 -3.239 0.000) 4.812 2.806 ( 0.832 4.567 0.000) 4.642 2.835 ( 0.551 4.038 0.000) 4.075 3.073 ( 9.863 -2.904 0.000) 10.282 3.121 ( 1.920 -0.762 0.000) 2.066 3.123 ( -1.157 2.584 0.000) 2.831 3.381 ( 0.710 1.589 0.000) 1.741 3.795 ( 0.829 -2.593 0.000) 2.722 4.056 ( -5.176 -3.692 0.000) 6.358 4.140 ( 11.460 -3.633 0.000) 12.022 4.467 ( -4.593 -4.336 0.000) 6.316 6.405 ( -0.948 2.159 0.000) 2.358 6.444 ( -1.260 -2.346 0.000) 2.663 6.720 ( 1.478 19.274 0.000) 19.331 6.732 ( 3.297 2.674 0.000) 4.245 6.968 ( 1.911 1.070 0.000) 2.190 7.000 ( -0.247 -0.129 0.000) 0.279 7.015 ( -2.025 0.050 0.000) 2.026 7.141 ( -3.316 4.857 0.000) 5.881 7.232 ( -2.184 1.247 0.000) 2.515 7.323 ( -12.709 13.476 0.000) 18.524 7.415 ( 3.586 1.011 0.000) 3.726 7.529 ( -2.465 2.012 0.000) 3.181 7.565 ( -0.162 2.988 0.000) 2.992 7.592 ( -0.632 2.283 0.000) 2.368 7.865 ( -0.643 8.904 0.000) 8.928 7.870 ( -0.262 5.467 0.000) 5.474 8.375 ( 0.907 8.706 0.000) 8.753 8.501 ( -9.432 12.452 0.000) 15.621 9.595 ( 0.271 -2.591 0.000) 2.605 9.606 ( -0.214 -2.580 0.000) 2.589 9.932 ( 0.945 -0.807 0.000) 1.243 9.980 ( -1.057 -1.288 0.000) 1.667 10.783 ( 16.074 -18.809 0.000) 24.742 10.995 ( -0.757 -10.652 0.000) 10.679 ======================= Grid point 7 (6/105) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 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| 0.966 ( -1.183 18.159 0.000) 18.198 0.966 ( 1.183 18.159 0.000) 18.198 1.061 ( -8.684 8.240 0.000) 11.972 1.061 ( 8.684 8.240 0.000) 11.972 1.624 ( -24.385 11.145 0.000) 26.811 1.624 ( 24.385 11.145 0.000) 26.811 2.064 ( -5.726 1.527 0.000) 5.926 2.064 ( 5.726 1.527 0.000) 5.926 2.243 ( -2.547 10.112 0.000) 10.428 2.243 ( 2.547 10.112 0.000) 10.428 2.544 ( -0.221 2.312 0.000) 2.323 2.544 ( 0.221 2.312 0.000) 2.323 2.569 ( -2.033 -3.313 0.000) 3.887 2.569 ( 2.033 -3.313 0.000) 3.887 2.826 ( -1.094 4.745 0.000) 4.870 2.826 ( 1.094 4.745 0.000) 4.870 3.112 ( -0.285 -0.686 0.000) 0.743 3.112 ( 0.285 -0.686 0.000) 0.743 3.279 ( -8.820 -0.275 0.000) 8.824 3.279 ( 8.820 -0.275 0.000) 8.824 3.918 ( -8.684 -2.963 0.000) 9.175 3.918 ( 8.684 -2.963 0.000) 9.175 4.337 ( -8.904 -4.324 0.000) 9.899 4.337 ( 8.904 -4.324 0.000) 9.899 6.413 ( -1.518 0.849 0.000) 1.740 6.413 ( 1.518 0.849 0.000) 1.740 6.759 ( -1.263 11.644 0.000) 11.712 6.759 ( 1.263 11.644 0.000) 11.712 6.969 ( -0.992 2.799 0.000) 2.970 6.969 ( 0.992 2.799 0.000) 2.970 7.053 ( -4.265 3.925 0.000) 5.796 7.053 ( 4.265 3.925 0.000) 5.796 7.214 ( -0.782 5.004 0.000) 5.064 7.214 ( 0.782 5.004 0.000) 5.064 7.479 ( -3.002 0.719 0.000) 3.087 7.479 ( 3.002 0.719 0.000) 3.087 7.577 ( -0.877 2.298 0.000) 2.459 7.577 ( 0.877 2.298 0.000) 2.459 7.864 ( -0.262 6.502 0.000) 6.507 7.864 ( 0.262 6.502 0.000) 6.507 8.405 ( -2.512 9.731 0.000) 10.050 8.405 ( 2.512 9.731 0.000) 10.050 9.601 ( -0.346 -2.596 0.000) 2.619 9.601 ( 0.346 -2.596 0.000) 2.619 9.956 ( -1.416 -1.059 0.000) 1.768 9.956 ( 1.416 -1.059 0.000) 1.768 10.955 ( -4.140 -14.035 0.000) 14.633 10.955 ( 4.140 -14.035 0.000) 14.633 ======================= Grid point 10 (7/105) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 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| 0.787 ( 0.000 21.679 0.000) 21.679 0.804 ( 0.000 21.217 0.000) 21.217 1.697 ( 0.000 14.667 0.000) 14.667 1.797 ( 0.000 21.947 0.000) 21.947 1.808 ( 0.000 0.973 0.000) 0.973 1.883 ( 0.000 31.396 0.000) 31.396 1.902 ( 0.000 -0.890 0.000) 0.890 2.296 ( 0.000 1.484 0.000) 1.484 2.439 ( 0.000 8.775 0.000) 8.775 2.468 ( 0.000 -1.681 0.000) 1.681 2.478 ( 0.000 0.315 0.000) 0.315 2.590 ( 0.000 3.054 0.000) 3.054 2.684 ( 0.000 -0.044 0.000) 0.044 2.710 ( 0.000 4.859 0.000) 4.859 2.899 ( 0.000 5.235 0.000) 5.235 2.902 ( 0.000 5.615 0.000) 5.615 3.041 ( 0.000 11.132 0.000) 11.132 3.081 ( 0.000 -2.035 0.000) 2.035 3.303 ( 0.000 0.720 0.000) 0.720 3.408 ( 0.000 15.119 0.000) 15.119 3.826 ( 0.000 -4.545 0.000) 4.545 3.871 ( 0.000 -3.169 0.000) 3.169 3.997 ( 0.000 -6.587 0.000) 6.587 4.402 ( 0.000 -7.125 0.000) 7.125 6.399 ( 0.000 -1.592 0.000) 1.592 6.450 ( 0.000 2.096 0.000) 2.096 6.737 ( 0.000 3.255 0.000) 3.255 6.943 ( 0.000 0.181 0.000) 0.181 6.975 ( 0.000 -2.762 0.000) 2.762 7.007 ( 0.000 -1.530 0.000) 1.530 7.196 ( 0.000 21.203 0.000) 21.203 7.228 ( 0.000 2.811 0.000) 2.811 7.260 ( 0.000 3.874 0.000) 3.874 7.429 ( 0.000 4.138 0.000) 4.138 7.453 ( 0.000 -1.121 0.000) 1.121 7.596 ( 0.000 2.846 0.000) 2.846 7.666 ( 0.000 4.662 0.000) 4.662 7.726 ( 0.000 5.992 0.000) 5.992 7.975 ( 0.000 4.461 0.000) 4.461 8.211 ( 0.000 19.880 0.000) 19.880 8.598 ( 0.000 13.985 0.000) 13.985 8.760 ( 0.000 1.693 0.000) 1.693 9.523 ( 0.000 -4.178 0.000) 4.178 9.538 ( 0.000 -4.400 0.000) 4.400 9.905 ( 0.000 -0.999 0.000) 0.999 9.954 ( 0.000 -2.176 0.000) 2.176 10.395 ( 0.000 -4.413 0.000) 4.413 10.758 ( 0.000 -13.476 0.000) 13.476 ======================= Grid point 11 (8/105) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 12.140 17.646 0.000) 21.419 0.957 ( 14.266 14.671 0.000) 20.463 1.498 ( -14.694 8.963 0.000) 17.212 1.590 ( -15.077 9.975 0.000) 18.078 1.933 ( 5.889 34.807 0.000) 35.302 1.949 ( 8.042 2.361 0.000) 8.381 2.004 ( 3.955 10.804 0.000) 11.505 2.266 ( -3.623 4.427 0.000) 5.720 2.445 ( 0.405 8.764 0.000) 8.774 2.461 ( -0.738 0.987 0.000) 1.232 2.491 ( 1.256 0.033 0.000) 1.257 2.583 ( -1.637 2.850 0.000) 3.287 2.623 ( -3.695 4.236 0.000) 5.621 2.668 ( -3.209 5.822 0.000) 6.648 2.904 ( 0.506 4.670 0.000) 4.698 2.912 ( 0.562 3.845 0.000) 3.886 3.068 ( 1.286 -0.506 0.000) 1.382 3.158 ( 8.159 7.023 0.000) 10.765 3.189 ( -6.219 3.662 0.000) 7.217 3.477 ( -1.895 8.624 0.000) 8.830 3.728 ( 1.280 -3.691 0.000) 3.907 3.957 ( -4.212 -5.867 0.000) 7.223 4.052 ( 10.408 -4.941 0.000) 11.521 4.357 ( -4.612 -6.875 0.000) 8.279 6.404 ( 0.463 -1.019 0.000) 1.119 6.435 ( -1.194 1.808 0.000) 2.167 6.781 ( 4.000 2.746 0.000) 4.852 6.923 ( -2.154 0.989 0.000) 2.370 6.975 ( 0.057 -1.865 0.000) 1.866 6.998 ( -0.828 -1.374 0.000) 1.604 7.201 ( 0.102 10.807 0.000) 10.807 7.220 ( -0.754 3.064 0.000) 3.155 7.281 ( 2.752 10.538 0.000) 10.891 7.428 ( -2.658 0.839 0.000) 2.787 7.467 ( 3.639 5.465 0.000) 6.565 7.596 ( -0.342 3.354 0.000) 3.371 7.660 ( -0.538 4.817 0.000) 4.847 7.693 ( -3.213 8.624 0.000) 9.203 7.986 ( 1.205 5.558 0.000) 5.687 8.134 ( -6.572 17.243 0.000) 18.453 8.605 ( 0.724 13.610 0.000) 13.629 8.692 ( -4.675 7.507 0.000) 8.844 9.524 ( 0.182 -4.287 0.000) 4.291 9.536 ( -0.234 -4.410 0.000) 4.416 9.911 ( 0.645 -1.187 0.000) 1.351 9.946 ( -0.802 -2.017 0.000) 2.171 10.516 ( 9.657 -9.901 0.000) 13.831 10.741 ( -1.958 -13.640 0.000) 13.779 ======================= Grid point 12 (9/105) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 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| 1.190 ( -14.224 10.626 0.000) 17.755 1.190 ( 14.224 10.626 0.000) 17.755 1.279 ( -15.516 9.754 0.000) 18.327 1.279 ( 15.516 9.754 0.000) 18.327 2.014 ( -2.488 15.209 0.000) 15.411 2.014 ( 2.488 15.209 0.000) 15.411 2.135 ( -9.763 13.409 0.000) 16.587 2.135 ( 9.763 13.409 0.000) 16.587 2.450 ( -0.243 7.375 0.000) 7.379 2.450 ( 0.243 7.375 0.000) 7.379 2.525 ( -2.486 0.979 0.000) 2.671 2.525 ( 2.486 0.979 0.000) 2.671 2.619 ( -1.642 4.781 0.000) 5.055 2.619 ( 1.642 4.781 0.000) 5.055 2.914 ( -0.334 3.619 0.000) 3.634 2.914 ( 0.334 3.619 0.000) 3.634 3.104 ( -2.885 0.380 0.000) 2.910 3.104 ( 2.885 0.380 0.000) 2.910 3.336 ( -9.746 6.188 0.000) 11.544 3.336 ( 9.746 6.188 0.000) 11.544 3.844 ( -7.339 -3.987 0.000) 8.352 3.844 ( 7.339 -3.987 0.000) 8.352 4.232 ( -8.290 -6.149 0.000) 10.322 4.232 ( 8.290 -6.149 0.000) 10.322 6.416 ( -0.789 0.485 0.000) 0.926 6.416 ( 0.789 0.485 0.000) 0.926 6.863 ( -4.051 1.939 0.000) 4.491 6.863 ( 4.051 1.939 0.000) 4.491 6.982 ( -0.684 -1.133 0.000) 1.323 6.982 ( 0.684 -1.133 0.000) 1.323 7.206 ( -0.610 4.312 0.000) 4.355 7.206 ( 0.610 4.312 0.000) 4.355 7.357 ( -4.506 7.784 0.000) 8.994 7.357 ( 4.506 7.784 0.000) 8.994 7.550 ( -4.495 7.630 0.000) 8.856 7.550 ( 4.495 7.630 0.000) 8.856 7.652 ( -0.211 6.329 0.000) 6.333 7.652 ( 0.211 6.329 0.000) 6.333 8.030 ( -3.749 9.871 0.000) 10.559 8.030 ( 3.749 9.871 0.000) 10.559 8.629 ( -2.046 12.088 0.000) 12.260 8.629 ( 2.046 12.088 0.000) 12.260 9.530 ( -0.342 -4.399 0.000) 4.413 9.530 ( 0.342 -4.399 0.000) 4.413 9.928 ( -1.021 -1.615 0.000) 1.911 9.928 ( 1.021 -1.615 0.000) 1.911 10.671 ( -5.859 -13.473 0.000) 14.692 10.671 ( 5.859 -13.473 0.000) 14.692 ======================= Grid point 15 (10/105) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 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| 1.207 ( 0.000 20.153 0.000) 20.153 1.218 ( 0.000 20.198 0.000) 20.198 1.854 ( 0.000 3.348 0.000) 3.348 1.871 ( 0.000 7.423 0.000) 7.423 1.913 ( 0.000 2.157 0.000) 2.157 2.055 ( 0.000 5.354 0.000) 5.354 2.318 ( 0.000 -0.620 0.000) 0.620 2.400 ( 0.000 7.216 0.000) 7.216 2.429 ( 0.000 -2.193 0.000) 2.193 2.550 ( 0.000 3.089 0.000) 3.089 2.626 ( 0.000 21.368 0.000) 21.368 2.654 ( 0.000 2.597 0.000) 2.597 2.765 ( 0.000 7.831 0.000) 7.831 2.803 ( 0.000 4.269 0.000) 4.269 2.983 ( 0.000 3.005 0.000) 3.005 2.986 ( 0.000 2.703 0.000) 2.703 3.048 ( 0.000 -0.113 0.000) 0.113 3.329 ( 0.000 1.245 0.000) 1.245 3.332 ( 0.000 16.741 0.000) 16.741 3.703 ( 0.000 -0.486 0.000) 0.486 3.740 ( 0.000 10.430 0.000) 10.430 3.857 ( 0.000 3.109 0.000) 3.109 3.865 ( 0.000 -5.926 0.000) 5.926 4.234 ( 0.000 -9.417 0.000) 9.417 6.393 ( 0.000 0.777 0.000) 0.777 6.509 ( 0.000 3.751 0.000) 3.751 6.814 ( 0.000 4.379 0.000) 4.379 6.901 ( 0.000 -4.624 0.000) 4.624 6.951 ( 0.000 0.672 0.000) 0.672 6.973 ( 0.000 -1.804 0.000) 1.804 7.231 ( 0.000 -0.751 0.000) 0.751 7.265 ( 0.000 0.241 0.000) 0.241 7.458 ( 0.000 2.418 0.000) 2.418 7.537 ( 0.000 6.797 0.000) 6.797 7.629 ( 0.000 13.059 0.000) 13.059 7.652 ( 0.000 2.647 0.000) 2.647 7.820 ( 0.000 13.015 0.000) 13.015 7.861 ( 0.000 7.465 0.000) 7.465 8.045 ( 0.000 2.847 0.000) 2.847 8.621 ( 0.000 20.128 0.000) 20.128 8.784 ( 0.000 0.436 0.000) 0.436 8.875 ( 0.000 12.745 0.000) 12.745 9.437 ( 0.000 -4.212 0.000) 4.212 9.439 ( 0.000 -5.469 0.000) 5.469 9.887 ( 0.000 -0.776 0.000) 0.776 9.914 ( 0.000 -1.646 0.000) 1.646 10.294 ( 0.000 -5.653 0.000) 5.653 10.502 ( 0.000 -11.752 0.000) 11.752 ======================= Grid point 16 (11/105) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 5.869 16.757 0.000) 17.755 1.275 ( 6.783 17.964 0.000) 19.202 1.673 ( -10.800 8.846 0.000) 13.961 1.706 ( -13.860 4.814 0.000) 14.673 2.008 ( 6.535 3.600 0.000) 7.461 2.153 ( 1.793 4.177 0.000) 4.545 2.345 ( 3.207 0.177 0.000) 3.212 2.402 ( 0.049 5.084 0.000) 5.084 2.458 ( 3.290 -0.620 0.000) 3.348 2.551 ( -0.057 3.292 0.000) 3.293 2.656 ( 2.774 19.988 0.000) 20.180 2.657 ( 0.605 2.673 0.000) 2.741 2.753 ( -1.275 9.272 0.000) 9.359 2.777 ( -2.935 4.318 0.000) 5.221 2.972 ( -0.647 2.317 0.000) 2.406 2.981 ( -0.453 2.814 0.000) 2.851 3.069 ( 2.628 2.372 0.000) 3.540 3.271 ( -5.494 4.362 0.000) 7.015 3.378 ( 4.469 13.207 0.000) 13.942 3.617 ( -7.081 -0.404 0.000) 7.093 3.755 ( 2.600 11.705 0.000) 11.990 3.851 ( -1.535 -3.684 0.000) 3.991 3.962 ( 7.523 -3.011 0.000) 8.103 4.198 ( -3.701 -8.772 0.000) 9.521 6.407 ( 1.422 1.169 0.000) 1.841 6.486 ( -2.097 3.282 0.000) 3.895 6.845 ( 2.779 3.659 0.000) 4.595 6.904 ( 0.154 -3.518 0.000) 3.522 6.950 ( -0.194 0.518 0.000) 0.553 6.964 ( -0.849 -1.978 0.000) 2.152 7.231 ( 0.111 -0.422 0.000) 0.436 7.256 ( -0.842 0.176 0.000) 0.860 7.459 ( 0.188 3.347 0.000) 3.352 7.503 ( -2.297 7.566 0.000) 7.907 7.659 ( 0.721 3.025 0.000) 3.110 7.660 ( 1.747 8.362 0.000) 8.543 7.828 ( 0.835 12.836 0.000) 12.864 7.858 ( -0.316 8.108 0.000) 8.114 8.092 ( 5.213 5.826 0.000) 7.817 8.473 ( -11.873 14.576 0.000) 18.800 8.834 ( 2.666 7.707 0.000) 8.155 8.874 ( -0.180 12.463 0.000) 12.465 9.435 ( -0.144 -4.472 0.000) 4.474 9.437 ( -0.163 -5.363 0.000) 5.365 9.889 ( 0.294 -0.933 0.000) 0.978 9.908 ( -0.489 -1.521 0.000) 1.598 10.347 ( 4.691 -7.647 0.000) 8.971 10.487 ( -1.636 -11.498 0.000) 11.614 ======================= Grid point 17 (12/105) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 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| 1.407 ( -1.114 11.265 0.000) 11.320 1.407 ( 1.114 11.265 0.000) 11.320 1.498 ( -0.334 12.228 0.000) 12.232 1.498 ( 0.334 12.228 0.000) 12.232 2.114 ( -4.471 2.936 0.000) 5.348 2.114 ( 4.471 2.936 0.000) 5.348 2.392 ( -1.306 2.099 0.000) 2.472 2.392 ( 1.306 2.099 0.000) 2.472 2.531 ( -2.720 2.879 0.000) 3.960 2.531 ( 2.720 2.879 0.000) 3.960 2.692 ( -2.310 7.556 0.000) 7.901 2.692 ( 2.310 7.556 0.000) 7.901 2.720 ( -1.036 9.851 0.000) 9.906 2.720 ( 1.036 9.851 0.000) 9.906 2.971 ( -0.463 2.775 0.000) 2.813 2.971 ( 0.463 2.775 0.000) 2.813 3.154 ( -5.980 5.449 0.000) 8.090 3.154 ( 5.980 5.449 0.000) 8.090 3.485 ( -6.515 6.668 0.000) 9.323 3.485 ( 6.515 6.668 0.000) 9.323 3.809 ( -2.721 2.590 0.000) 3.756 3.809 ( 2.721 2.590 0.000) 3.756 4.099 ( -6.506 -6.779 0.000) 9.396 4.099 ( 6.506 -6.779 0.000) 9.396 6.443 ( -2.236 2.180 0.000) 3.123 6.443 ( 2.236 2.180 0.000) 3.123 6.893 ( -1.689 0.836 0.000) 1.884 6.893 ( 1.689 0.835 0.000) 1.884 6.949 ( -0.439 -1.449 0.000) 1.514 6.949 ( 0.439 -1.449 0.000) 1.514 7.239 ( -0.761 0.011 0.000) 0.761 7.239 ( 0.761 0.011 0.000) 0.761 7.470 ( -1.090 5.629 0.000) 5.733 7.470 ( 1.090 5.629 0.000) 5.733 7.672 ( -0.347 4.375 0.000) 4.389 7.672 ( 0.347 4.375 0.000) 4.389 7.847 ( -0.915 10.343 0.000) 10.383 7.847 ( 0.915 10.343 0.000) 10.383 8.247 ( -10.766 11.305 0.000) 15.611 8.247 ( 10.766 11.305 0.000) 15.611 8.866 ( -0.854 11.253 0.000) 11.285 8.866 ( 0.854 11.253 0.000) 11.285 9.434 ( -0.113 -5.005 0.000) 5.006 9.434 ( 0.113 -5.005 0.000) 5.006 9.898 ( -0.568 -1.235 0.000) 1.359 9.898 ( 0.568 -1.235 0.000) 1.359 10.435 ( -3.928 -10.326 0.000) 11.048 10.435 ( 3.928 -10.326 0.000) 11.048 ======================= Grid point 20 (13/105) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 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| 1.569 ( 0.000 15.963 0.000) 15.963 1.595 ( 0.000 17.559 0.000) 17.559 1.928 ( 0.000 3.746 0.000) 3.746 1.990 ( 0.000 5.509 0.000) 5.509 1.996 ( 0.000 4.707 0.000) 4.707 2.094 ( 0.000 -0.172 0.000) 0.172 2.283 ( 0.000 -2.043 0.000) 2.043 2.380 ( 0.000 -2.771 0.000) 2.771 2.447 ( 0.000 1.131 0.000) 1.131 2.592 ( 0.000 1.690 0.000) 1.690 2.676 ( 0.000 -0.582 0.000) 0.582 2.851 ( 0.000 -0.996 0.000) 0.996 2.887 ( 0.000 3.887 0.000) 3.887 2.909 ( 0.000 5.610 0.000) 5.610 3.015 ( 0.000 0.528 0.000) 0.528 3.018 ( 0.000 0.662 0.000) 0.662 3.200 ( 0.000 13.087 0.000) 13.087 3.323 ( 0.000 -1.784 0.000) 1.784 3.571 ( 0.000 -7.219 0.000) 7.219 3.640 ( 0.000 12.229 0.000) 12.229 3.811 ( 0.000 2.001 0.000) 2.001 4.017 ( 0.000 11.882 0.000) 11.882 4.045 ( 0.000 14.465 0.000) 14.465 4.057 ( 0.000 -6.910 0.000) 6.910 6.422 ( 0.000 2.018 0.000) 2.018 6.593 ( 0.000 4.546 0.000) 4.546 6.799 ( 0.000 -5.492 0.000) 5.492 6.906 ( 0.000 4.705 0.000) 4.705 6.936 ( 0.000 -1.973 0.000) 1.973 6.970 ( 0.000 1.272 0.000) 1.272 7.212 ( 0.000 -1.202 0.000) 1.202 7.237 ( 0.000 -2.523 0.000) 2.523 7.548 ( 0.000 5.825 0.000) 5.825 7.694 ( 0.000 8.691 0.000) 8.691 7.697 ( 0.000 1.924 0.000) 1.924 7.783 ( 0.000 5.361 0.000) 5.361 8.020 ( 0.000 8.561 0.000) 8.561 8.102 ( 0.000 3.213 0.000) 3.213 8.105 ( 0.000 12.579 0.000) 12.579 8.767 ( 0.000 -2.291 0.000) 2.291 8.974 ( 0.000 14.902 0.000) 14.902 9.065 ( 0.000 5.840 0.000) 5.840 9.323 ( 0.000 -6.225 0.000) 6.225 9.367 ( 0.000 -2.676 0.000) 2.676 9.876 ( 0.000 -0.233 0.000) 0.233 9.902 ( 0.000 0.708 0.000) 0.708 10.175 ( 0.000 -6.256 0.000) 6.256 10.304 ( 0.000 -8.174 0.000) 8.174 ======================= Grid point 21 (14/105) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 3.166 14.488 0.000) 14.829 1.602 ( 0.990 15.860 0.000) 15.891 1.819 ( -9.263 6.685 0.000) 11.423 1.836 ( -6.229 7.293 0.000) 9.591 2.072 ( 4.827 2.319 0.000) 5.355 2.216 ( -0.092 2.141 0.000) 2.143 2.310 ( 6.765 -2.004 0.000) 7.055 2.418 ( 4.332 -3.234 0.000) 5.406 2.436 ( -1.170 0.925 0.000) 1.491 2.588 ( -0.650 1.123 0.000) 1.298 2.677 ( 0.284 -0.647 0.000) 0.707 2.803 ( -4.765 -1.976 0.000) 5.158 2.890 ( 0.358 4.364 0.000) 4.379 2.906 ( -0.309 5.460 0.000) 5.468 3.017 ( 0.103 0.812 0.000) 0.818 3.017 ( 0.002 1.213 0.000) 1.213 3.230 ( 2.810 10.457 0.000) 10.828 3.314 ( -0.965 -0.445 0.000) 1.063 3.574 ( 0.126 -3.950 0.000) 3.952 3.600 ( -2.546 7.954 0.000) 8.352 3.872 ( 4.779 6.035 0.000) 7.698 3.997 ( -1.625 9.293 0.000) 9.434 4.037 ( -0.874 12.753 0.000) 12.783 4.044 ( -1.140 -4.669 0.000) 4.806 6.443 ( 2.113 2.317 0.000) 3.135 6.560 ( -3.011 4.069 0.000) 5.062 6.815 ( 1.701 -4.956 0.000) 5.240 6.905 ( -1.707 -0.439 0.000) 1.762 6.937 ( 1.522 1.997 0.000) 2.511 6.973 ( 0.123 1.574 0.000) 1.579 7.215 ( 0.251 -1.211 0.000) 1.237 7.232 ( -0.448 -2.112 0.000) 2.159 7.561 ( 1.369 6.196 0.000) 6.345 7.660 ( -3.025 8.266 0.000) 8.803 7.713 ( 1.546 2.359 0.000) 2.821 7.776 ( -0.905 4.650 0.000) 4.737 8.021 ( 0.100 8.442 0.000) 8.443 8.042 ( -1.723 7.766 0.000) 7.955 8.238 ( 9.079 8.220 0.000) 12.247 8.650 ( -10.123 3.419 0.000) 10.685 9.014 ( 2.621 9.583 0.000) 9.935 9.063 ( -0.306 5.969 0.000) 5.977 9.327 ( 0.477 -5.635 0.000) 5.656 9.358 ( -0.802 -2.946 0.000) 3.053 9.878 ( 0.235 -0.145 0.000) 0.276 9.897 ( -0.470 0.596 0.000) 0.759 10.205 ( 2.717 -6.742 0.000) 7.269 10.293 ( -1.158 -8.064 0.000) 8.147 ======================= Grid point 22 (15/105) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 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| 1.638 ( -1.837 11.824 0.000) 11.966 1.638 ( 1.837 11.824 0.000) 11.966 1.734 ( -2.756 10.954 0.000) 11.295 1.734 ( 2.756 10.954 0.000) 11.295 2.158 ( -4.177 1.078 0.000) 4.313 2.158 ( 4.177 1.078 0.000) 4.313 2.402 ( -2.640 0.590 0.000) 2.705 2.402 ( 2.640 0.590 0.000) 2.705 2.540 ( -5.573 -1.499 0.000) 5.772 2.540 ( 5.573 -1.499 0.000) 5.772 2.707 ( -3.744 -1.654 0.000) 4.094 2.707 ( 3.744 -1.654 0.000) 4.094 2.899 ( -0.449 5.028 0.000) 5.048 2.899 ( 0.449 5.028 0.000) 5.048 3.018 ( -0.006 1.271 0.000) 1.271 3.018 ( 0.006 1.271 0.000) 1.271 3.284 ( -2.326 4.208 0.000) 4.808 3.284 ( 2.326 4.208 0.000) 4.808 3.574 ( -0.235 2.906 0.000) 2.916 3.574 ( 0.235 2.906 0.000) 2.916 3.954 ( -3.369 8.012 0.000) 8.691 3.954 ( 3.369 8.012 0.000) 8.691 4.026 ( -0.293 3.440 0.000) 3.452 4.026 ( 0.293 3.440 0.000) 3.452 6.497 ( -3.342 3.114 0.000) 4.568 6.497 ( 3.342 3.114 0.000) 4.568 6.859 ( -2.670 -3.478 0.000) 4.385 6.859 ( 2.670 -3.478 0.000) 4.385 6.966 ( -1.000 2.393 0.000) 2.593 6.966 ( 1.000 2.393 0.000) 2.593 7.222 ( -0.522 -1.467 0.000) 1.557 7.222 ( 0.522 -1.467 0.000) 1.557 7.601 ( -2.806 7.203 0.000) 7.730 7.601 ( 2.806 7.203 0.000) 7.730 7.748 ( -1.901 3.397 0.000) 3.893 7.748 ( 1.901 3.397 0.000) 3.893 8.025 ( -0.381 8.132 0.000) 8.141 8.025 ( 0.381 8.132 0.000) 8.141 8.437 ( -11.459 7.146 0.000) 13.504 8.437 ( 11.459 7.146 0.000) 13.504 9.050 ( -1.154 6.704 0.000) 6.803 9.050 ( 1.154 6.704 0.000) 6.803 9.341 ( -0.926 -4.170 0.000) 4.271 9.341 ( 0.926 -4.170 0.000) 4.271 9.886 ( -0.593 0.238 0.000) 0.639 9.886 ( 0.593 0.238 0.000) 0.639 10.258 ( -2.518 -7.591 0.000) 7.998 10.258 ( 2.518 -7.591 0.000) 7.998 ======================= Grid point 25 (16/105) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 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| 1.835 ( 0.000 10.905 0.000) 10.905 1.905 ( 0.000 12.739 0.000) 12.739 2.000 ( 0.000 4.297 0.000) 4.297 2.050 ( 0.000 0.926 0.000) 0.926 2.081 ( 0.000 -0.640 0.000) 0.640 2.118 ( 0.000 6.573 0.000) 6.573 2.243 ( 0.000 -2.197 0.000) 2.197 2.328 ( 0.000 -1.828 0.000) 1.828 2.452 ( 0.000 -1.379 0.000) 1.379 2.627 ( 0.000 -4.324 0.000) 4.324 2.629 ( 0.000 2.095 0.000) 2.095 2.786 ( 0.000 -4.024 0.000) 4.024 2.942 ( 0.000 2.122 0.000) 2.122 2.987 ( 0.000 2.381 0.000) 2.381 3.016 ( 0.000 -0.665 0.000) 0.665 3.016 ( 0.000 -0.200 0.000) 0.200 3.288 ( 0.000 -1.021 0.000) 1.021 3.367 ( 0.000 4.610 0.000) 4.610 3.440 ( 0.000 -5.686 0.000) 5.686 3.703 ( 0.000 -5.090 0.000) 5.090 3.954 ( 0.000 10.197 0.000) 10.197 4.059 ( 0.000 6.156 0.000) 6.156 4.258 ( 0.000 10.939 0.000) 10.939 4.290 ( 0.000 9.894 0.000) 9.894 6.468 ( 0.000 2.536 0.000) 2.536 6.684 ( 0.000 4.494 0.000) 4.494 6.691 ( 0.000 -5.198 0.000) 5.198 6.892 ( 0.000 -2.413 0.000) 2.413 6.996 ( 0.000 4.181 0.000) 4.181 7.004 ( 0.000 2.224 0.000) 2.224 7.179 ( 0.000 -2.213 0.000) 2.213 7.181 ( 0.000 -2.847 0.000) 2.847 7.658 ( 0.000 4.704 0.000) 4.704 7.728 ( 0.000 1.141 0.000) 1.141 7.854 ( 0.000 6.616 0.000) 6.616 7.874 ( 0.000 3.846 0.000) 3.846 8.184 ( 0.000 5.180 0.000) 5.180 8.200 ( 0.000 9.488 0.000) 9.488 8.290 ( 0.000 6.234 0.000) 6.234 8.691 ( 0.000 -5.305 0.000) 5.305 9.111 ( 0.000 -0.514 0.000) 0.514 9.198 ( 0.000 -6.053 0.000) 6.053 9.203 ( 0.000 8.262 0.000) 8.262 9.334 ( 0.000 -0.659 0.000) 0.659 9.878 ( 0.000 0.427 0.000) 0.427 9.941 ( 0.000 2.955 0.000) 2.955 10.052 ( 0.000 -5.869 0.000) 5.869 10.172 ( 0.000 -5.346 0.000) 5.346 ======================= Grid point 26 (17/105) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 0.875 10.097 0.000) 10.135 1.889 ( -1.438 12.197 0.000) 12.282 1.959 ( -4.713 6.902 0.000) 8.358 1.961 ( -2.644 6.007 0.000) 6.563 2.090 ( 2.932 -0.385 0.000) 2.957 2.208 ( -2.826 -2.475 0.000) 3.756 2.302 ( 10.676 -1.631 0.000) 10.800 2.360 ( 2.998 0.225 0.000) 3.006 2.438 ( -1.450 -1.728 0.000) 2.256 2.610 ( -2.283 1.411 0.000) 2.683 2.635 ( 0.859 -3.456 0.000) 3.561 2.737 ( -4.540 -3.532 0.000) 5.752 2.950 ( 0.758 2.179 0.000) 2.307 2.981 ( -0.566 2.336 0.000) 2.403 3.020 ( 0.334 -0.561 0.000) 0.653 3.021 ( 0.311 -0.210 0.000) 0.375 3.294 ( 0.703 -0.521 0.000) 0.875 3.349 ( -1.617 3.188 0.000) 3.574 3.471 ( 3.081 -5.545 0.000) 6.343 3.644 ( -4.935 -4.093 0.000) 6.412 4.014 ( 5.047 9.016 0.000) 10.332 4.105 ( 4.411 7.448 0.000) 8.656 4.215 ( -4.070 10.832 0.000) 11.571 4.269 ( -2.424 9.515 0.000) 9.819 6.494 ( 2.657 2.770 0.000) 3.838 6.643 ( -3.806 4.128 0.000) 5.615 6.716 ( 2.584 -4.862 0.000) 5.506 6.858 ( -3.358 -2.976 0.000) 4.487 7.009 ( 1.037 3.755 0.000) 3.896 7.011 ( 0.635 2.355 0.000) 2.439 7.182 ( 0.231 -2.154 0.000) 2.167 7.185 ( 0.226 -2.504 0.000) 2.514 7.677 ( 2.048 5.024 0.000) 5.426 7.752 ( 2.325 1.465 0.000) 2.749 7.811 ( -3.804 6.291 0.000) 7.351 7.856 ( -1.989 3.354 0.000) 3.899 8.179 ( 0.081 6.877 0.000) 6.877 8.197 ( -0.346 9.230 0.000) 9.236 8.369 ( 6.999 4.302 0.000) 8.215 8.645 ( -4.837 -3.212 0.000) 5.806 9.112 ( 0.206 -0.314 0.000) 0.376 9.168 ( -2.763 5.554 0.000) 6.203 9.220 ( 2.210 -4.978 0.000) 5.446 9.321 ( -1.666 -1.005 0.000) 1.945 9.886 ( 0.914 0.994 0.000) 1.351 9.932 ( -0.866 2.765 0.000) 2.897 10.081 ( 2.534 -5.656 0.000) 6.198 10.162 ( -1.090 -5.381 0.000) 5.491 ======================= Grid point 27 (18/105) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 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| 1.863 ( -1.077 10.241 0.000) 10.297 1.863 ( 1.077 10.241 0.000) 10.297 1.924 ( -0.714 8.431 0.000) 8.461 1.924 ( 0.714 8.431 0.000) 8.461 2.149 ( -3.219 -1.756 0.000) 3.667 2.149 ( 3.219 -1.756 0.000) 3.667 2.400 ( -2.461 -2.913 0.000) 3.813 2.400 ( 2.461 -2.913 0.000) 3.813 2.509 ( -8.734 0.400 0.000) 8.743 2.509 ( 8.734 0.400 0.000) 8.743 2.663 ( -2.438 -2.343 0.000) 3.382 2.663 ( 2.438 -2.343 0.000) 3.382 2.967 ( -0.860 2.281 0.000) 2.437 2.967 ( 0.860 2.281 0.000) 2.437 3.024 ( -0.000 -0.349 0.000) 0.349 3.024 ( 0.000 -0.349 0.000) 0.349 3.316 ( -1.604 0.933 0.000) 1.856 3.316 ( 1.604 0.933 0.000) 1.856 3.548 ( -4.799 -4.792 0.000) 6.782 3.548 ( 4.799 -4.792 0.000) 6.782 4.119 ( -5.651 9.998 0.000) 11.485 4.119 ( 5.651 9.998 0.000) 11.485 4.199 ( -4.756 8.696 0.000) 9.911 4.199 ( 4.756 8.696 0.000) 9.911 6.562 ( -4.242 3.394 0.000) 5.433 6.562 ( 4.242 3.394 0.000) 5.433 6.783 ( -4.110 -3.999 0.000) 5.734 6.783 ( 4.110 -3.999 0.000) 5.734 7.020 ( -0.024 2.886 0.000) 2.887 7.020 ( 0.024 2.886 0.000) 2.887 7.186 ( -0.138 -2.155 0.000) 2.160 7.186 ( 0.138 -2.155 0.000) 2.160 7.734 ( -3.806 5.724 0.000) 6.874 7.734 ( 3.806 5.724 0.000) 6.874 7.806 ( -3.070 2.299 0.000) 3.835 7.806 ( 3.070 2.299 0.000) 3.835 8.187 ( -0.586 8.412 0.000) 8.432 8.187 ( 0.586 8.412 0.000) 8.432 8.518 ( -7.950 0.999 0.000) 8.012 8.518 ( 7.950 0.999 0.000) 8.012 9.126 ( -1.460 1.607 0.000) 2.171 9.126 ( 1.460 1.607 0.000) 2.171 9.273 ( -3.052 -2.903 0.000) 4.213 9.273 ( 3.052 -2.903 0.000) 4.213 9.910 ( -1.417 2.090 0.000) 2.524 9.910 ( 1.417 2.090 0.000) 2.524 10.130 ( -2.286 -5.468 0.000) 5.927 10.130 ( 2.286 -5.468 0.000) 5.927 ======================= Grid point 30 (19/105) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 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| 2.004 ( 0.000 6.105 0.000) 6.105 2.016 ( 0.000 1.983 0.000) 1.983 2.046 ( 0.000 -1.050 0.000) 1.050 2.071 ( 0.000 -0.947 0.000) 0.947 2.184 ( 0.000 10.967 0.000) 10.967 2.186 ( 0.000 0.018 0.000) 0.018 2.197 ( 0.000 -1.960 0.000) 1.960 2.368 ( 0.000 -7.114 0.000) 7.114 2.369 ( 0.000 6.337 0.000) 6.337 2.511 ( 0.000 -6.989 0.000) 6.989 2.673 ( 0.000 2.307 0.000) 2.307 2.720 ( 0.000 -2.605 0.000) 2.605 2.975 ( 0.000 1.291 0.000) 1.291 2.998 ( 0.000 -1.050 0.000) 1.050 3.011 ( 0.000 0.375 0.000) 0.375 3.013 ( 0.000 -0.058 0.000) 0.058 3.295 ( 0.000 1.652 0.000) 1.652 3.348 ( 0.000 -3.637 0.000) 3.637 3.453 ( 0.000 4.942 0.000) 4.942 3.571 ( 0.000 -6.816 0.000) 6.816 4.124 ( 0.000 5.647 0.000) 5.647 4.158 ( 0.000 2.175 0.000) 2.175 4.414 ( 0.000 4.381 0.000) 4.381 4.424 ( 0.000 3.336 0.000) 3.336 6.524 ( 0.000 3.166 0.000) 3.166 6.597 ( 0.000 -4.231 0.000) 4.231 6.768 ( 0.000 3.903 0.000) 3.903 6.838 ( 0.000 -3.109 0.000) 3.109 7.059 ( 0.000 3.209 0.000) 3.209 7.069 ( 0.000 3.209 0.000) 3.209 7.125 ( 0.000 -3.195 0.000) 3.195 7.126 ( 0.000 -2.722 0.000) 2.722 7.724 ( 0.000 1.953 0.000) 1.953 7.741 ( 0.000 0.067 0.000) 0.067 7.932 ( 0.000 1.787 0.000) 1.787 7.936 ( 0.000 1.662 0.000) 1.662 8.296 ( 0.000 5.252 0.000) 5.252 8.353 ( 0.000 0.036 0.000) 0.036 8.389 ( 0.000 9.331 0.000) 9.331 8.561 ( 0.000 -7.753 0.000) 7.753 9.084 ( 0.000 -1.080 0.000) 1.080 9.101 ( 0.000 -3.108 0.000) 3.108 9.309 ( 0.000 2.734 0.000) 2.734 9.331 ( 0.000 -0.077 0.000) 0.077 9.897 ( 0.000 1.683 0.000) 1.683 9.952 ( 0.000 -3.977 0.000) 3.977 10.007 ( 0.000 3.576 0.000) 3.576 10.082 ( 0.000 -3.980 0.000) 3.980 ======================= Grid point 31 (20/105) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 0.485 6.523 0.000) 6.541 2.013 ( -0.144 3.031 0.000) 3.034 2.060 ( 1.263 -1.688 0.000) 2.108 2.069 ( -0.103 2.729 0.000) 2.731 2.157 ( -2.554 -1.317 0.000) 2.873 2.157 ( -2.498 10.580 0.000) 10.871 2.216 ( 2.521 -5.036 0.000) 5.632 2.343 ( -2.538 -7.584 0.000) 7.997 2.436 ( 5.895 5.404 0.000) 7.997 2.546 ( 3.206 -5.271 0.000) 6.169 2.646 ( -2.963 1.993 0.000) 3.571 2.684 ( -3.331 -1.979 0.000) 3.874 2.983 ( 0.698 1.216 0.000) 1.402 3.004 ( 0.510 -0.977 0.000) 1.102 3.007 ( -0.373 0.596 0.000) 0.704 3.015 ( 0.029 -0.310 0.000) 0.311 3.310 ( 1.630 2.118 0.000) 2.673 3.373 ( 2.591 -4.132 0.000) 4.877 3.419 ( -3.097 4.407 0.000) 5.387 3.527 ( -4.067 -6.224 0.000) 7.435 4.175 ( 4.869 5.570 0.000) 7.398 4.210 ( 4.837 2.117 0.000) 5.280 4.376 ( -3.763 4.814 0.000) 6.110 4.395 ( -3.076 2.893 0.000) 4.223 6.554 ( 3.024 3.273 0.000) 4.456 6.627 ( 3.034 -4.122 0.000) 5.118 6.722 ( -4.260 3.831 0.000) 5.729 6.794 ( -4.117 -3.438 0.000) 5.364 7.066 ( 0.697 3.118 0.000) 3.195 7.077 ( 0.546 3.135 0.000) 3.183 7.129 ( 0.440 -3.043 0.000) 3.074 7.134 ( 0.498 -2.651 0.000) 2.697 7.749 ( 2.576 2.189 0.000) 3.381 7.768 ( 2.726 0.094 0.000) 2.727 7.894 ( -3.633 2.179 0.000) 4.236 7.903 ( -3.010 1.148 0.000) 3.221 8.315 ( 1.813 6.243 0.000) 6.501 8.380 ( -0.964 8.976 0.000) 9.027 8.398 ( 4.059 -1.526 0.000) 4.337 8.541 ( -2.107 -6.946 0.000) 7.259 9.098 ( 1.740 0.068 0.000) 1.742 9.134 ( 3.121 -3.452 0.000) 4.654 9.249 ( -4.971 3.113 0.000) 5.865 9.298 ( -3.672 -1.757 0.000) 4.071 9.919 ( 2.129 2.439 0.000) 3.237 9.984 ( 2.752 -4.070 0.000) 4.913 9.997 ( -1.155 3.519 0.000) 3.704 10.071 ( -1.179 -4.015 0.000) 4.184 ======================= Grid point 32 (21/105) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 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| 2.013 ( -0.066 5.091 0.000) 5.091 2.013 ( 0.066 5.091 0.000) 5.091 2.078 ( -0.335 1.887 0.000) 1.917 2.078 ( 0.335 1.887 0.000) 1.917 2.121 ( -0.167 4.235 0.000) 4.239 2.121 ( 0.167 4.235 0.000) 4.239 2.280 ( -3.782 -7.922 0.000) 8.778 2.280 ( 3.782 -7.922 0.000) 8.778 2.557 ( -6.128 3.179 0.000) 6.904 2.557 ( 6.128 3.179 0.000) 6.904 2.615 ( -3.763 -2.610 0.000) 4.579 2.615 ( 3.763 -2.610 0.000) 4.579 2.997 ( -0.689 0.955 0.000) 1.178 2.997 ( 0.689 0.955 0.000) 1.178 3.012 ( -0.302 -0.705 0.000) 0.767 3.012 ( 0.302 -0.705 0.000) 0.767 3.356 ( -3.121 3.238 0.000) 4.498 3.356 ( 3.121 3.238 0.000) 4.498 3.441 ( -4.394 -5.186 0.000) 6.797 3.441 ( 4.394 -5.186 0.000) 6.797 4.282 ( -5.792 5.344 0.000) 7.881 4.282 ( 5.792 5.344 0.000) 7.881 4.313 ( -5.341 2.319 0.000) 5.822 4.313 ( 5.341 2.319 0.000) 5.822 6.631 ( -4.827 3.556 0.000) 5.995 6.631 ( 4.827 3.556 0.000) 5.995 6.704 ( -4.830 -3.842 0.000) 6.172 6.704 ( 4.830 -3.842 0.000) 6.172 7.079 ( -0.418 3.019 0.000) 3.047 7.079 ( 0.418 3.019 0.000) 3.047 7.137 ( -0.223 -2.745 0.000) 2.754 7.137 ( 0.223 -2.745 0.000) 2.754 7.816 ( -4.188 2.440 0.000) 4.847 7.816 ( 4.188 2.440 0.000) 4.847 7.834 ( -3.908 0.419 0.000) 3.930 7.834 ( 3.908 0.419 0.000) 3.930 8.353 ( -1.864 7.875 0.000) 8.093 8.353 ( 1.864 7.875 0.000) 8.093 8.481 ( -4.106 -4.548 0.000) 6.127 8.481 ( 4.106 -4.548 0.000) 6.127 9.155 ( -4.294 2.084 0.000) 4.773 9.155 ( 4.294 2.084 0.000) 4.773 9.212 ( -4.792 -3.272 0.000) 5.803 9.212 ( 4.792 -3.272 0.000) 5.803 9.964 ( -2.226 3.231 0.000) 3.923 9.964 ( 2.226 3.231 0.000) 3.923 10.036 ( -2.437 -4.080 0.000) 4.753 10.036 ( 2.437 -4.080 0.000) 4.753 ======================= Grid point 65 (22/105) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 0.000 0.000 18.027) 18.027 0.568 ( 0.000 0.000 27.075) 27.075 0.947 ( 0.000 0.000 46.011) 46.011 0.978 ( 0.000 0.000 3.820) 3.820 1.508 ( 0.000 0.000 -9.340) 9.340 1.816 ( 0.000 0.000 -3.594) 3.594 1.964 ( 0.000 0.000 0.099) 0.099 2.066 ( 0.000 0.000 -0.797) 0.797 2.231 ( 0.000 0.000 -6.653) 6.653 2.432 ( 0.000 0.000 -5.823) 5.823 2.474 ( 0.000 0.000 -3.642) 3.642 2.477 ( 0.000 0.000 -3.605) 3.605 2.572 ( 0.000 0.000 5.393) 5.393 2.699 ( 0.000 0.000 0.036) 0.036 2.786 ( 0.000 0.000 2.983) 2.983 2.809 ( 0.000 0.000 2.762) 2.762 3.020 ( 0.000 0.000 9.501) 9.501 3.128 ( 0.000 0.000 0.207) 0.207 3.162 ( 0.000 0.000 5.339) 5.339 3.356 ( 0.000 0.000 4.144) 4.144 3.771 ( 0.000 0.000 -12.167) 12.167 3.953 ( 0.000 0.000 -2.269) 2.269 4.230 ( 0.000 0.000 4.250) 4.250 4.493 ( 0.000 0.000 -5.340) 5.340 6.303 ( 0.000 0.000 3.915) 3.915 6.455 ( 0.000 0.000 2.735) 2.735 6.508 ( 0.000 0.000 2.633) 2.633 6.593 ( 0.000 0.000 -6.459) 6.459 6.929 ( 0.000 0.000 0.239) 0.239 6.979 ( 0.000 0.000 -4.065) 4.065 7.016 ( 0.000 0.000 -2.105) 2.105 7.119 ( 0.000 0.000 -1.065) 1.065 7.228 ( 0.000 0.000 1.847) 1.847 7.267 ( 0.000 0.000 -0.673) 0.673 7.476 ( 0.000 0.000 -4.798) 4.798 7.491 ( 0.000 0.000 -6.576) 6.576 7.501 ( 0.000 0.000 1.065) 1.065 7.520 ( 0.000 0.000 1.682) 1.682 7.654 ( 0.000 0.000 5.586) 5.586 7.836 ( 0.000 0.000 4.500) 4.500 7.854 ( 0.000 0.000 3.288) 3.288 8.682 ( 0.000 0.000 -10.190) 10.190 9.605 ( 0.000 0.000 -2.742) 2.742 9.619 ( 0.000 0.000 -0.741) 0.741 10.021 ( 0.000 0.000 7.768) 7.768 10.409 ( 0.000 0.000 -1.911) 1.911 10.471 ( 0.000 0.000 -1.737) 1.737 11.002 ( 0.000 0.000 -9.302) 9.302 ======================= Grid point 66 (23/105) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 11.032 0.000 12.756) 16.864 0.570 ( 10.315 0.000 16.839) 19.747 0.909 ( -6.995 0.000 4.682) 8.417 1.276 ( -3.426 0.000 7.764) 8.487 1.333 ( 13.603 0.000 19.266) 23.584 1.918 ( 7.298 0.000 -6.059) 9.485 1.982 ( 1.745 0.000 -0.070) 1.746 2.054 ( -1.260 0.000 -0.691) 1.437 2.182 ( -4.831 0.000 -6.329) 7.962 2.333 ( -16.398 0.000 10.140) 19.280 2.474 ( 0.043 0.000 -3.638) 3.639 2.476 ( -0.042 0.000 -3.611) 3.612 2.532 ( 3.973 0.000 -1.167) 4.141 2.754 ( -4.726 0.000 4.753) 6.703 2.789 ( 0.335 0.000 2.949) 2.968 2.806 ( -0.337 0.000 2.792) 2.813 2.989 ( 6.076 0.000 -3.960) 7.253 3.129 ( -0.697 0.000 0.043) 0.699 3.181 ( 1.786 0.000 1.308) 2.213 3.381 ( -4.520 0.000 -2.113) 4.990 3.794 ( 7.712 0.000 -1.101) 7.790 4.050 ( 3.628 0.000 -3.539) 5.068 4.222 ( 1.535 0.000 2.195) 2.678 4.458 ( -4.137 0.000 -6.018) 7.303 6.327 ( 2.461 0.000 3.775) 4.506 6.469 ( -3.661 0.000 2.896) 4.668 6.481 ( 2.556 0.000 -0.557) 2.616 6.583 ( -1.295 0.000 -5.962) 6.101 6.963 ( -1.099 0.000 -2.849) 3.054 6.966 ( 3.375 0.000 -0.024) 3.375 7.007 ( -2.269 0.000 -0.603) 2.348 7.096 ( -2.285 0.000 -0.916) 2.462 7.149 ( -1.934 0.000 5.283) 5.626 7.233 ( -3.465 0.000 1.605) 3.819 7.426 ( 1.781 0.000 1.761) 2.504 7.478 ( 0.272 0.000 -5.067) 5.074 7.489 ( -0.159 0.000 -6.298) 6.300 7.517 ( -1.450 0.000 -0.065) 1.452 7.838 ( 0.263 0.000 4.316) 4.324 7.851 ( -0.277 0.000 3.458) 3.469 7.982 ( 17.807 0.000 -5.209) 18.553 8.510 ( -13.123 0.000 -2.046) 13.282 9.603 ( 0.135 0.000 -2.029) 2.033 9.618 ( -0.264 0.000 -1.485) 1.509 10.033 ( 1.338 0.000 7.809) 7.923 10.164 ( -7.359 0.000 9.551) 12.057 10.813 ( 12.658 0.000 -18.068) 22.061 10.995 ( -0.972 0.000 -10.484) 10.529 ======================= Grid point 67 (24/105) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -11.424 0.000 7.407) 13.615 0.729 ( 11.424 0.000 7.407) 13.615 0.910 ( -21.304 0.000 -1.647) 21.367 0.910 ( 21.304 0.000 -1.647) 21.368 1.854 ( -26.004 0.000 20.551) 33.144 1.854 ( 26.004 0.000 20.551) 33.144 2.021 ( -2.063 0.000 -0.410) 2.103 2.021 ( 2.063 0.000 -0.410) 2.103 2.081 ( -5.452 0.000 -3.944) 6.729 2.081 ( 5.452 0.000 -3.944) 6.729 2.475 ( -0.062 0.000 -3.626) 3.627 2.475 ( 0.062 0.000 -3.626) 3.627 2.644 ( -6.210 0.000 1.150) 6.316 2.644 ( 6.210 0.000 1.150) 6.316 2.797 ( -0.476 0.000 2.869) 2.908 2.797 ( 0.476 0.000 2.869) 2.908 3.095 ( -3.422 0.000 -2.912) 4.493 3.095 ( 3.422 0.000 -2.912) 4.493 3.251 ( -6.192 0.000 -2.500) 6.677 3.251 ( 6.192 0.000 -2.500) 6.677 3.977 ( -8.839 0.000 1.985) 9.059 3.977 ( 8.839 0.000 1.985) 9.059 4.338 ( -7.853 0.000 -4.682) 9.143 4.338 ( 7.853 0.000 -4.682) 9.143 6.391 ( -4.068 0.000 3.389) 5.294 6.391 ( 4.068 0.000 3.389) 5.294 6.540 ( -3.119 0.000 -4.076) 5.132 6.540 ( 3.119 0.000 -4.076) 5.132 6.962 ( -1.377 0.000 -0.330) 1.416 6.962 ( 1.377 0.000 -0.330) 1.416 7.037 ( -3.733 0.000 -0.520) 3.769 7.037 ( 3.733 0.000 -0.520) 3.769 7.172 ( -2.742 0.000 2.353) 3.613 7.172 ( 2.742 0.000 2.353) 3.613 7.476 ( -2.667 0.000 0.159) 2.672 7.476 ( 2.667 0.000 0.159) 2.672 7.485 ( -0.323 0.000 -5.678) 5.687 7.485 ( 0.323 0.000 -5.678) 5.687 7.845 ( -0.386 0.000 3.880) 3.899 7.845 ( 0.386 0.000 3.880) 3.899 8.264 ( -13.040 0.000 -2.604) 13.298 8.264 ( 13.040 0.000 -2.604) 13.298 9.610 ( -0.491 0.000 -1.807) 1.873 9.610 ( 0.491 0.000 -1.807) 1.873 10.075 ( -3.139 0.000 8.369) 8.939 10.075 ( 3.139 0.000 8.369) 8.939 10.953 ( -3.848 0.000 -13.988) 14.507 10.953 ( 3.848 0.000 -13.988) 14.507 ======================= Grid point 70 (25/105) ======================= q-point: ( 0.00 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 0.000 9.438 20.288) 22.376 0.746 ( 0.000 16.296 18.641) 24.760 1.216 ( 0.000 29.461 27.321) 40.179 1.305 ( 0.000 26.782 3.372) 26.994 1.554 ( 0.000 5.237 -8.177) 9.711 1.789 ( 0.000 -1.518 -2.568) 2.983 1.954 ( 0.000 -0.679 1.054) 1.254 2.181 ( 0.000 7.162 -3.367) 7.914 2.242 ( 0.000 3.839 -4.576) 5.973 2.456 ( 0.000 1.125 -3.567) 3.740 2.505 ( 0.000 0.806 -2.653) 2.773 2.509 ( 0.000 3.154 -3.242) 4.523 2.565 ( 0.000 1.906 1.891) 2.685 2.685 ( 0.000 -0.910 0.969) 1.330 2.831 ( 0.000 3.873 2.038) 4.376 2.861 ( 0.000 4.356 3.752) 5.749 3.027 ( 0.000 1.071 8.672) 8.738 3.117 ( 0.000 -1.379 -0.089) 1.382 3.212 ( 0.000 7.146 4.852) 8.637 3.348 ( 0.000 -0.438 4.391) 4.413 3.742 ( 0.000 -2.409 -11.049) 11.309 3.922 ( 0.000 -2.765 -1.786) 3.291 4.193 ( 0.000 -3.535 4.631) 5.826 4.457 ( 0.000 -3.595 -5.284) 6.391 6.388 ( 0.000 1.070 -2.896) 3.087 6.451 ( 0.000 -0.061 2.242) 2.242 6.701 ( 0.000 4.057 -1.078) 4.197 6.725 ( 0.000 19.938 1.498) 19.994 6.905 ( 0.000 -0.404 -2.051) 2.091 6.961 ( 0.000 -1.562 -4.585) 4.844 7.034 ( 0.000 1.465 -0.256) 1.487 7.177 ( 0.000 4.335 0.408) 4.354 7.261 ( 0.000 -0.433 -0.502) 0.663 7.323 ( 0.000 3.860 -3.299) 5.078 7.474 ( 0.000 -1.116 -0.950) 1.465 7.506 ( 0.000 3.039 -3.144) 4.373 7.553 ( 0.000 4.544 -3.178) 5.545 7.679 ( 0.000 2.543 4.481) 5.152 7.811 ( 0.000 15.386 -9.856) 18.272 7.930 ( 0.000 9.840 3.557) 10.463 7.958 ( 0.000 15.352 -5.664) 16.364 8.693 ( 0.000 1.340 -8.380) 8.487 9.579 ( 0.000 -2.530 -2.721) 3.715 9.586 ( 0.000 -3.099 -0.883) 3.222 10.004 ( 0.000 -1.645 7.052) 7.242 10.216 ( 0.000 -11.378 8.224) 14.040 10.446 ( 0.000 -2.449 -1.711) 2.987 10.911 ( 0.000 -8.631 -8.187) 11.896 ======================= Grid point 71 (26/105) ======================= q-point: ( 0.25 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 8.638 9.940 12.864) 18.409 0.896 ( 9.235 22.262 10.125) 26.142 1.232 ( -5.768 26.338 4.420) 27.322 1.305 ( -11.912 3.618 1.123) 12.500 1.480 ( 14.061 17.788 19.035) 29.605 1.894 ( 7.077 -0.467 -4.299) 8.293 1.957 ( -0.544 -1.229 2.274) 2.641 2.162 ( -3.150 3.786 -4.226) 6.490 2.218 ( -1.373 8.366 -2.607) 8.869 2.411 ( -10.600 6.249 4.625) 13.145 2.496 ( 0.312 -0.222 -0.504) 0.633 2.501 ( -0.251 1.690 -3.077) 3.520 2.530 ( 2.930 2.195 -1.905) 4.127 2.715 ( -3.375 -1.875 4.790) 6.153 2.830 ( -0.445 3.619 2.970) 4.702 2.847 ( 0.654 3.360 1.236) 3.639 3.030 ( 3.374 4.084 -0.791) 5.356 3.120 ( -0.210 -0.461 0.454) 0.681 3.169 ( 0.081 0.015 2.439) 2.440 3.378 ( -4.246 1.007 -1.579) 4.641 3.770 ( 7.357 -2.323 -0.948) 7.773 4.012 ( 3.315 -3.538 -3.156) 5.785 4.189 ( 1.646 -3.176 2.633) 4.442 4.415 ( -4.370 -3.816 -5.139) 7.751 6.393 ( 0.761 1.214 -1.008) 1.752 6.447 ( -0.741 -0.923 1.254) 1.724 6.687 ( -0.166 12.177 -0.845) 12.207 6.734 ( -0.033 13.302 -1.840) 13.429 6.923 ( 1.151 0.005 -2.269) 2.544 6.960 ( 0.197 -0.496 -3.560) 3.600 7.042 ( 0.771 1.493 0.714) 1.826 7.151 ( -3.204 5.761 0.650) 6.624 7.227 ( -1.802 2.097 -0.446) 2.801 7.300 ( -4.621 6.380 -0.297) 7.883 7.442 ( -0.213 1.405 1.396) 1.992 7.509 ( -0.362 2.381 -2.478) 3.455 7.538 ( -2.093 6.220 -2.860) 7.159 7.552 ( -1.841 4.227 -1.773) 4.940 7.876 ( 1.516 4.139 1.279) 4.590 7.907 ( -0.769 6.170 2.576) 6.730 8.135 ( 12.210 13.634 -7.988) 19.969 8.560 ( -10.821 4.645 -3.644) 12.327 9.576 ( 0.086 -2.672 -2.031) 3.357 9.589 ( -0.120 -2.866 -1.703) 3.336 10.014 ( 1.206 -1.726 7.054) 7.362 10.117 ( -4.790 -4.135 8.628) 10.700 10.661 ( 12.847 -10.769 -9.226) 19.135 10.896 ( -1.697 -9.094 -8.884) 12.826 ======================= Grid point 72 (27/105) ======================= q-point: (-0.50 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -15.985 7.409 0.888) 17.641 0.945 ( 15.985 7.409 0.888) 17.641 1.097 ( -6.540 23.756 4.675) 25.079 1.097 ( 6.540 23.756 4.675) 25.079 1.835 ( -15.404 2.745 14.456) 21.302 1.835 ( 15.404 2.745 14.456) 21.302 2.032 ( -7.947 1.081 -2.843) 8.510 2.032 ( 7.947 1.081 -2.843) 8.510 2.235 ( -4.226 12.056 1.342) 12.846 2.235 ( 4.226 12.056 1.342) 12.846 2.499 ( -0.051 1.644 -2.613) 3.088 2.499 ( 0.051 1.644 -2.613) 3.088 2.619 ( -5.335 -1.147 2.397) 5.960 2.619 ( 5.335 -1.147 2.397) 5.960 2.841 ( -0.898 3.645 1.429) 4.017 2.841 ( 0.898 3.645 1.429) 4.017 3.098 ( -2.167 0.453 -1.688) 2.784 3.098 ( 2.167 0.453 -1.688) 2.784 3.244 ( -7.232 0.424 -1.810) 7.467 3.244 ( 7.232 0.424 -1.810) 7.467 3.944 ( -8.342 -3.171 1.890) 9.122 3.944 ( 8.342 -3.171 1.890) 9.122 4.298 ( -7.412 -3.592 -3.802) 9.072 4.298 ( 7.412 -3.592 -3.802) 9.072 6.419 ( -1.855 0.055 0.586) 1.946 6.419 ( 1.855 0.055 0.586) 1.946 6.710 ( -2.062 13.248 -2.972) 13.733 6.710 ( 2.062 13.248 -2.972) 13.733 6.948 ( -1.559 0.911 -2.208) 2.852 6.948 ( 1.559 0.911 -2.208) 2.852 7.076 ( -3.201 4.134 1.409) 5.415 7.076 ( 3.201 4.134 1.409) 5.415 7.229 ( -1.944 4.370 1.616) 5.049 7.229 ( 1.944 4.370 1.616) 5.049 7.475 ( -2.375 0.959 -0.445) 2.600 7.475 ( 2.375 0.959 -0.445) 2.600 7.534 ( -0.699 4.358 -3.507) 5.637 7.534 ( 0.699 4.358 -3.507) 5.637 7.894 ( -0.700 4.834 2.428) 5.455 7.894 ( 0.700 4.834 2.428) 5.455 8.352 ( -10.881 8.330 -4.147) 14.317 8.352 ( 10.881 8.330 -4.147) 14.317 9.582 ( -0.441 -2.746 -1.917) 3.378 9.582 ( 0.441 -2.746 -1.917) 3.378 10.050 ( -2.603 -2.267 7.493) 8.250 10.050 ( 2.603 -2.267 7.493) 8.250 10.832 ( -5.566 -10.461 -10.460) 15.806 10.832 ( 5.566 -10.461 -10.460) 15.806 ======================= Grid point 75 (28/105) ======================= q-point: ( 0.00 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.000 16.147 10.559) 19.293 1.015 ( 0.000 13.891 18.023) 22.755 1.632 ( 0.000 8.124 -4.882) 9.478 1.759 ( 0.000 4.182 -1.956) 4.617 1.851 ( 0.000 18.775 2.432) 18.932 1.910 ( 0.000 14.148 2.290) 14.333 2.005 ( 0.000 21.082 9.208) 23.005 2.233 ( 0.000 2.583 -5.193) 5.800 2.434 ( 0.000 9.613 -0.579) 9.631 2.452 ( 0.000 -1.019 -0.853) 1.329 2.496 ( 0.000 -0.463 0.753) 0.884 2.581 ( 0.000 3.862 -3.380) 5.132 2.659 ( 0.000 5.604 -3.321) 6.514 2.684 ( 0.000 1.641 3.070) 3.481 2.913 ( 0.000 3.765 0.896) 3.870 2.958 ( 0.000 4.774 3.934) 6.186 3.081 ( 0.000 -2.015 -0.157) 2.021 3.095 ( 0.000 6.786 4.453) 8.117 3.353 ( 0.000 1.165 4.863) 5.000 3.431 ( 0.000 14.096 2.117) 14.254 3.681 ( 0.000 -3.704 -9.723) 10.404 3.863 ( 0.000 -2.429 -0.759) 2.545 4.094 ( 0.000 -6.366 5.129) 8.175 4.352 ( 0.000 -6.855 -4.957) 8.460 6.390 ( 0.000 0.131 -0.531) 0.547 6.465 ( 0.000 1.578 1.361) 2.083 6.747 ( 0.000 2.129 0.870) 2.300 6.895 ( 0.000 -0.837 -3.048) 3.160 6.918 ( 0.000 -2.808 -4.989) 5.725 7.053 ( 0.000 0.260 2.736) 2.748 7.176 ( 0.000 18.093 -0.894) 18.116 7.244 ( 0.000 3.932 -1.512) 4.212 7.275 ( 0.000 4.334 2.855) 5.190 7.402 ( 0.000 4.533 -2.447) 5.151 7.450 ( 0.000 -0.660 -0.272) 0.714 7.580 ( 0.000 4.152 -1.430) 4.391 7.667 ( 0.000 6.566 0.369) 6.577 7.757 ( 0.000 5.483 2.573) 6.057 7.963 ( 0.000 4.799 -0.835) 4.871 8.224 ( 0.000 18.889 1.303) 18.934 8.356 ( 0.000 18.683 -14.914) 23.906 8.746 ( 0.000 4.331 -5.046) 6.650 9.507 ( 0.000 -4.569 -1.558) 4.828 9.510 ( 0.000 -4.253 -2.585) 4.977 9.965 ( 0.000 -2.049 5.323) 5.704 10.052 ( 0.000 -5.846 6.567) 8.792 10.377 ( 0.000 -4.393 -1.669) 4.700 10.696 ( 0.000 -12.009 -5.716) 13.300 ======================= Grid point 76 (29/105) ======================= q-point: ( 0.25 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 5.700 16.411 7.061) 18.753 1.183 ( 13.028 10.613 14.936) 22.482 1.425 ( -14.923 7.974 -3.260) 17.231 1.688 ( -11.382 13.748 5.931) 18.807 1.901 ( 6.919 1.465 -3.510) 7.895 1.970 ( 4.253 17.719 1.876) 18.318 2.068 ( 3.958 20.935 5.972) 22.127 2.228 ( -0.893 6.508 -2.650) 7.084 2.435 ( 0.268 8.915 -0.709) 8.948 2.468 ( 1.005 -0.264 0.525) 1.164 2.494 ( -0.083 0.723 0.137) 0.740 2.557 ( -3.097 5.123 -3.882) 7.135 2.609 ( -0.383 4.587 1.274) 4.776 2.710 ( -1.278 1.635 2.388) 3.164 2.915 ( 0.060 3.638 0.918) 3.752 2.932 ( -1.431 5.149 2.458) 5.882 3.074 ( 0.882 -0.266 0.313) 0.973 3.171 ( 5.584 5.010 1.559) 7.662 3.217 ( -6.701 6.297 2.714) 9.588 3.459 ( -5.411 7.366 -2.493) 9.474 3.711 ( 7.229 -2.967 -0.230) 7.817 3.926 ( 1.766 -4.637 -1.928) 5.324 4.103 ( 2.626 -5.281 2.919) 6.581 4.312 ( -4.074 -6.483 -4.492) 8.877 6.398 ( 0.856 0.282 -0.268) 0.940 6.449 ( -1.436 1.164 1.163) 2.184 6.778 ( 2.792 2.224 -0.228) 3.577 6.875 ( -1.714 -0.420 -3.447) 3.873 6.934 ( 1.473 -1.631 -3.320) 3.981 7.026 ( -2.486 1.041 1.416) 3.044 7.195 ( 1.623 11.658 0.018) 11.770 7.258 ( -0.726 2.149 1.473) 2.705 7.265 ( 1.604 8.894 -0.425) 9.047 7.388 ( -2.187 2.855 -2.836) 4.580 7.473 ( 2.872 3.877 0.034) 4.825 7.581 ( -0.322 4.406 -1.337) 4.616 7.662 ( -0.454 6.875 0.413) 6.902 7.714 ( -3.765 9.053 1.904) 9.988 7.979 ( 1.716 5.344 -0.388) 5.626 8.124 ( -6.437 15.486 -1.404) 16.829 8.448 ( 6.309 16.486 -8.697) 19.678 8.682 ( -5.645 7.646 -4.100) 10.351 9.504 ( 0.001 -4.406 -2.058) 4.863 9.513 ( -0.071 -4.535 -2.126) 5.009 9.972 ( 0.816 -2.270 5.329) 5.850 10.029 ( -1.811 -4.317 6.146) 7.726 10.473 ( 7.820 -8.227 -3.875) 11.994 10.677 ( -2.133 -11.959 -5.870) 13.492 ======================= Grid point 77 (30/105) ======================= q-point: (-0.50 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -14.047 12.112 0.247) 18.549 1.139 ( 14.047 12.112 0.247) 18.549 1.444 ( -13.829 10.078 10.505) 20.079 1.444 ( 13.829 10.078 10.505) 20.079 1.993 ( -2.557 5.828 -2.792) 6.950 1.993 ( 2.557 5.828 -2.792) 6.950 2.167 ( -5.801 17.541 3.292) 18.766 2.167 ( 5.801 17.541 3.292) 18.766 2.450 ( -1.490 6.783 0.375) 6.954 2.450 ( 1.490 6.783 0.375) 6.954 2.515 ( -1.488 1.962 -0.950) 2.640 2.515 ( 1.488 1.962 -0.950) 2.640 2.645 ( -3.808 3.616 2.358) 5.756 2.645 ( 3.808 3.616 2.358) 5.756 2.918 ( -0.439 3.747 0.654) 3.829 2.918 ( 0.439 3.747 0.654) 3.829 3.115 ( -3.501 1.417 0.978) 3.901 3.115 ( 3.501 1.417 0.978) 3.901 3.313 ( -8.182 7.002 -1.596) 10.886 3.313 ( 8.182 7.002 -1.596) 10.886 3.864 ( -6.943 -4.449 1.604) 8.400 3.864 ( 6.943 -4.449 1.604) 8.400 4.207 ( -6.582 -5.495 -2.675) 8.982 4.207 ( 6.582 -5.495 -2.675) 8.982 6.420 ( -1.405 0.612 0.448) 1.597 6.420 ( 1.405 0.612 0.448) 1.597 6.833 ( -2.675 1.328 -2.344) 3.796 6.833 ( 2.675 1.328 -2.344) 3.796 6.974 ( -2.680 0.038 -0.858) 2.814 6.974 ( 2.680 0.038 -0.858) 2.814 7.228 ( -1.745 5.527 1.587) 6.010 7.228 ( 1.745 5.527 1.587) 6.010 7.326 ( -3.814 6.218 -2.270) 7.640 7.326 ( 3.814 6.218 -2.270) 7.640 7.544 ( -3.704 6.439 -0.611) 7.453 7.544 ( 3.704 6.439 -0.611) 7.453 7.662 ( -0.994 8.778 0.977) 8.888 7.662 ( 0.994 8.778 0.977) 8.888 8.029 ( -3.612 8.667 -0.300) 9.394 8.029 ( 3.612 8.667 -0.300) 9.394 8.567 ( -6.203 12.571 -5.102) 14.918 8.567 ( 6.203 12.571 -5.102) 14.918 9.508 ( -0.355 -4.519 -2.115) 5.002 9.508 ( 0.355 -4.519 -2.115) 5.002 9.995 ( -1.566 -2.994 5.577) 6.521 9.995 ( 1.566 -2.994 5.577) 6.521 10.606 ( -5.507 -11.294 -5.772) 13.827 10.606 ( 5.507 -11.294 -5.772) 13.827 ======================= Grid point 80 (31/105) ======================= q-point: ( 0.00 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.000 17.679 4.350) 18.206 1.312 ( 0.000 15.446 9.499) 18.133 1.779 ( 0.000 6.980 -4.482) 8.295 1.806 ( 0.000 2.829 -3.259) 4.316 1.997 ( 0.000 4.417 3.418) 5.585 2.107 ( 0.000 6.055 2.673) 6.619 2.293 ( 0.000 1.298 -1.174) 1.750 2.385 ( 0.000 0.738 -0.779) 1.073 2.459 ( 0.000 0.116 2.254) 2.257 2.557 ( 0.000 3.313 0.760) 3.399 2.636 ( 0.000 18.699 -0.417) 18.704 2.657 ( 0.000 3.146 -1.304) 3.405 2.763 ( 0.000 5.722 -1.553) 5.929 2.783 ( 0.000 7.873 2.695) 8.321 2.971 ( 0.000 2.148 -0.915) 2.335 3.024 ( 0.000 0.975 1.817) 2.062 3.069 ( 0.000 3.179 2.840) 4.263 3.292 ( 0.000 10.913 -0.910) 10.950 3.388 ( 0.000 2.730 2.971) 4.035 3.605 ( 0.000 -3.213 -6.634) 7.371 3.739 ( 0.000 15.744 0.423) 15.749 3.871 ( 0.000 4.550 1.294) 4.731 3.952 ( 0.000 -7.274 5.031) 8.845 4.194 ( 0.000 -8.578 -3.909) 9.427 6.404 ( 0.000 1.332 1.079) 1.714 6.514 ( 0.000 3.234 0.415) 3.261 6.802 ( 0.000 3.292 -1.029) 3.449 6.848 ( 0.000 -4.130 -4.646) 6.216 6.877 ( 0.000 -0.767 -3.487) 3.571 7.052 ( 0.000 -0.225 3.929) 3.936 7.219 ( 0.000 -0.660 -1.149) 1.325 7.299 ( 0.000 0.062 2.950) 2.951 7.423 ( 0.000 2.389 -3.133) 3.940 7.504 ( 0.000 5.660 -2.523) 6.197 7.630 ( 0.000 13.678 -0.084) 13.678 7.666 ( 0.000 4.552 0.887) 4.637 7.805 ( 0.000 7.382 -0.445) 7.395 7.921 ( 0.000 11.691 4.498) 12.526 8.032 ( 0.000 2.467 -1.201) 2.744 8.621 ( 0.000 19.681 0.069) 19.681 8.638 ( 0.000 8.893 -10.015) 13.393 8.878 ( 0.000 8.861 -2.289) 9.151 9.416 ( 0.000 -4.317 -1.999) 4.757 9.417 ( 0.000 -5.056 -2.125) 5.484 9.927 ( 0.000 -1.740 3.586) 3.986 9.964 ( 0.000 -3.000 4.183) 5.148 10.277 ( 0.000 -5.613 -1.619) 5.842 10.466 ( 0.000 -10.569 -3.266) 11.062 ======================= Grid point 81 (32/105) ======================= q-point: ( 0.25 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 3.309 17.221 3.069) 17.803 1.404 ( 7.785 11.946 9.477) 17.121 1.598 ( -10.210 9.101 -2.559) 13.915 1.833 ( -11.029 4.639 7.215) 13.972 1.958 ( 6.463 3.988 -3.845) 8.512 2.130 ( -1.199 4.307 -2.749) 5.248 2.353 ( 5.005 2.685 0.619) 5.713 2.398 ( 1.092 0.875 -0.596) 1.521 2.467 ( 1.145 0.197 1.141) 1.628 2.556 ( -0.334 4.037 0.419) 4.073 2.633 ( -0.184 8.703 -2.004) 8.933 2.676 ( 0.426 7.668 -3.650) 8.504 2.735 ( -1.132 10.422 2.135) 10.698 2.786 ( -0.473 6.630 2.484) 7.096 2.967 ( 0.014 2.043 -0.257) 2.059 3.008 ( -1.404 2.091 1.687) 3.031 3.096 ( 2.840 4.139 2.633) 5.669 3.270 ( -3.673 5.246 0.286) 6.410 3.402 ( 3.029 9.780 1.726) 10.383 3.579 ( -3.373 1.553 -3.058) 4.811 3.752 ( 2.023 9.810 -0.140) 10.018 3.853 ( -1.858 -1.724 0.784) 2.654 4.002 ( 4.465 -3.419 2.607) 6.199 4.167 ( -2.798 -7.606 -3.089) 8.673 6.417 ( 1.237 1.560 0.900) 2.185 6.490 ( -2.080 2.898 0.414) 3.591 6.818 ( 1.223 1.341 -2.630) 3.195 6.847 ( -0.236 -2.064 -4.381) 4.849 6.902 ( 2.703 -0.817 -1.768) 3.331 7.027 ( -2.410 -0.174 2.759) 3.667 7.232 ( 1.236 -0.580 0.045) 1.366 7.288 ( -1.130 -0.222 2.740) 2.972 7.425 ( 0.317 3.451 -3.047) 4.615 7.476 ( -2.198 6.601 -2.255) 7.314 7.653 ( 1.655 9.053 -0.328) 9.209 7.675 ( 0.637 5.504 0.668) 5.581 7.816 ( 1.356 8.276 -0.149) 8.387 7.897 ( -2.014 9.649 2.805) 10.248 8.089 ( 5.603 6.626 -0.278) 8.682 8.442 ( -11.051 14.111 -3.029) 18.178 8.751 ( 4.762 13.617 -5.055) 15.286 8.863 ( -1.529 10.139 -2.711) 10.605 9.413 ( -0.154 -4.488 -2.065) 4.943 9.416 ( -0.152 -5.017 -2.027) 5.413 9.931 ( 0.363 -1.884 3.618) 4.095 9.956 ( -0.721 -2.716 4.026) 4.909 10.323 ( 4.105 -7.090 -2.249) 8.495 10.452 ( -1.627 -10.302 -3.274) 10.932 ======================= Grid point 82 (33/105) ======================= q-point: (-0.50 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -8.176 13.058 0.520) 15.415 1.395 ( 8.176 13.058 0.520) 15.415 1.611 ( -11.137 8.399 8.814) 16.500 1.611 ( 11.137 8.399 8.814) 16.500 2.068 ( -4.829 3.280 -3.951) 7.049 2.068 ( 4.829 3.280 -3.951) 7.049 2.407 ( -0.708 1.086 1.062) 1.676 2.407 ( 0.708 1.086 1.062) 1.676 2.524 ( -3.594 3.860 -0.920) 5.354 2.524 ( 3.594 3.860 -0.920) 5.354 2.641 ( -1.660 5.789 -4.432) 7.477 2.641 ( 1.660 5.789 -4.432) 7.477 2.760 ( -2.094 9.555 3.778) 10.486 2.760 ( 2.094 9.555 3.778) 10.486 2.981 ( -1.282 2.578 0.888) 3.013 2.981 ( 1.282 2.578 0.888) 3.013 3.175 ( -5.219 5.199 1.863) 7.598 3.175 ( 5.219 5.199 1.863) 7.598 3.490 ( -5.344 8.606 0.242) 10.133 3.490 ( 5.344 8.606 0.242) 10.133 3.805 ( -3.011 0.268 -0.102) 3.025 3.805 ( 3.011 0.268 -0.102) 3.025 4.094 ( -4.681 -5.098 -0.774) 6.964 4.094 ( 4.681 -5.098 -0.774) 6.964 6.449 ( -2.067 2.176 0.570) 3.055 6.449 ( 2.067 2.176 0.570) 3.055 6.837 ( -0.756 -0.725 -4.085) 4.218 6.837 ( 0.756 -0.725 -4.085) 4.218 6.967 ( -3.660 -0.056 0.758) 3.738 6.967 ( 3.660 -0.056 0.758) 3.738 7.260 ( -1.663 -0.497 1.789) 2.492 7.260 ( 1.663 -0.497 1.789) 2.492 7.440 ( -1.361 5.510 -2.584) 6.236 7.440 ( 1.361 5.510 -2.584) 6.236 7.676 ( -0.631 5.936 0.082) 5.970 7.676 ( 0.631 5.936 0.082) 5.970 7.854 ( -2.374 8.939 0.951) 9.298 7.854 ( 2.374 8.939 0.951) 9.298 8.237 ( -9.807 11.637 -0.932) 15.246 8.237 ( 9.807 11.637 -0.932) 15.246 8.821 ( -2.848 12.300 -3.792) 13.182 8.821 ( 2.848 12.300 -3.792) 13.182 9.413 ( -0.149 -4.827 -2.040) 5.242 9.413 ( 0.149 -4.827 -2.040) 5.242 9.941 ( -0.754 -2.247 3.772) 4.455 9.941 ( 0.754 -2.247 3.772) 4.455 10.402 ( -3.648 -9.226 -3.054) 10.380 10.402 ( 3.648 -9.226 -3.054) 10.380 ======================= Grid point 85 (34/105) ======================= q-point: ( 0.00 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 0.000 16.070 0.756) 16.088 1.604 ( 0.000 13.586 3.550) 14.042 1.873 ( 0.000 3.740 -3.359) 5.027 1.914 ( 0.000 6.791 -2.899) 7.384 2.092 ( 0.000 4.395 4.475) 6.272 2.173 ( 0.000 1.295 4.585) 4.764 2.272 ( 0.000 -2.212 -0.245) 2.226 2.354 ( 0.000 -2.487 -2.162) 3.296 2.455 ( 0.000 0.009 0.686) 0.686 2.595 ( 0.000 0.988 0.734) 1.230 2.689 ( 0.000 0.046 0.625) 0.626 2.758 ( 0.000 -0.673 -7.699) 7.728 2.903 ( 0.000 3.384 1.516) 3.708 2.922 ( 0.000 5.151 1.283) 5.308 2.998 ( 0.000 0.558 -1.846) 1.928 3.042 ( 0.000 0.809 1.869) 2.037 3.220 ( 0.000 7.870 1.109) 7.947 3.337 ( 0.000 -2.266 1.331) 2.628 3.578 ( 0.000 10.508 -5.025) 11.648 3.585 ( 0.000 1.045 1.914) 2.180 3.819 ( 0.000 -1.724 0.331) 1.756 4.004 ( 0.000 0.890 -1.886) 2.085 4.059 ( 0.000 14.164 1.379) 14.231 4.086 ( 0.000 5.836 2.889) 6.512 6.439 ( 0.000 2.038 1.518) 2.541 6.588 ( 0.000 4.075 -0.482) 4.104 6.759 ( 0.000 -4.680 -3.556) 5.878 6.846 ( 0.000 -0.119 -4.757) 4.759 6.892 ( 0.000 3.444 -1.493) 3.754 7.048 ( 0.000 -0.022 4.044) 4.044 7.201 ( 0.000 -1.165 -1.121) 1.617 7.262 ( 0.000 -3.072 2.186) 3.770 7.507 ( 0.000 5.448 -3.585) 6.522 7.612 ( 0.000 4.732 -3.944) 6.160 7.767 ( 0.000 5.556 2.823) 6.232 7.800 ( 0.000 5.072 1.367) 5.253 7.971 ( 0.000 9.243 -3.451) 9.866 8.079 ( 0.000 2.785 -2.358) 3.649 8.171 ( 0.000 11.482 5.032) 12.537 8.725 ( 0.000 0.701 -3.376) 3.448 8.962 ( 0.000 13.922 -1.037) 13.960 9.040 ( 0.000 5.922 -2.461) 6.413 9.315 ( 0.000 -4.914 -0.756) 4.972 9.348 ( 0.000 -2.283 -1.708) 2.851 9.896 ( 0.000 -1.163 1.853) 2.188 9.937 ( 0.000 0.083 3.008) 3.010 10.160 ( 0.000 -6.059 -1.385) 6.215 10.287 ( 0.000 -7.512 -1.600) 7.681 ======================= Grid point 86 (35/105) ======================= q-point: ( 0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 1.024 15.198 0.797) 15.254 1.642 ( 2.979 11.574 3.443) 12.437 1.777 ( -4.958 8.750 -0.950) 10.102 1.926 ( -7.007 4.863 4.648) 9.713 2.034 ( 3.650 3.079 -1.980) 5.170 2.195 ( -2.574 1.938 -2.352) 3.989 2.342 ( 5.456 -1.298 2.359) 6.084 2.387 ( 3.241 -1.537 -2.509) 4.377 2.456 ( 0.935 -0.828 1.189) 1.724 2.594 ( -0.474 0.632 0.688) 1.047 2.679 ( -0.807 -0.082 -0.486) 0.945 2.729 ( -2.855 -0.962 -5.819) 6.553 2.906 ( 0.328 3.720 1.495) 4.022 2.920 ( -0.213 5.018 1.327) 5.195 3.005 ( 0.695 1.074 -0.994) 1.620 3.036 ( -0.572 0.956 1.487) 1.858 3.238 ( 1.823 6.331 0.408) 6.601 3.328 ( -1.370 -0.308 1.014) 1.732 3.555 ( -0.025 6.740 -2.524) 7.197 3.606 ( 0.057 -1.019 1.416) 1.746 3.840 ( 2.319 4.182 -2.164) 5.249 3.992 ( -3.643 6.072 -0.961) 7.146 4.036 ( 1.295 7.130 1.825) 7.473 4.097 ( -0.168 6.571 2.763) 7.130 6.456 ( 1.750 2.306 1.184) 3.128 6.558 ( -2.734 3.744 -0.235) 4.642 6.771 ( 1.300 -4.001 -3.795) 5.666 6.835 ( -1.172 -0.867 -4.665) 4.888 6.926 ( 2.937 2.908 -0.844) 4.218 7.028 ( -1.896 0.366 2.895) 3.480 7.211 ( 0.971 -1.417 -0.310) 1.746 7.254 ( -0.824 -2.689 1.844) 3.363 7.521 ( 1.393 5.725 -3.472) 6.839 7.598 ( -1.555 5.708 -3.810) 7.036 7.762 ( 0.019 4.520 2.705) 5.268 7.793 ( -0.736 4.491 1.239) 4.717 7.983 ( 1.196 8.709 -2.640) 9.179 8.048 ( -2.029 5.891 -0.610) 6.261 8.261 ( 7.865 9.172 2.324) 12.303 8.628 ( -8.733 4.593 -1.743) 10.019 8.991 ( 2.044 10.176 -1.993) 10.569 9.037 ( -0.409 6.174 -2.492) 6.670 9.317 ( 0.272 -4.662 -1.007) 4.777 9.342 ( -0.653 -2.445 -1.533) 2.959 9.900 ( 0.444 -0.999 2.018) 2.295 9.929 ( -0.724 -0.067 2.793) 2.886 10.189 ( 2.637 -6.374 -1.464) 7.052 10.276 ( -1.179 -7.406 -1.621) 7.672 ======================= Grid point 87 (36/105) ======================= q-point: (-0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -2.786 11.935 0.571) 12.269 1.644 ( 2.786 11.935 0.571) 12.269 1.786 ( -6.021 8.809 4.821) 11.709 1.786 ( 6.021 8.809 4.821) 11.709 2.122 ( -4.585 1.682 -3.096) 5.783 2.122 ( 4.585 1.682 -3.096) 5.783 2.399 ( -1.651 -0.365 -0.415) 1.741 2.399 ( 1.651 -0.365 -0.415) 1.741 2.544 ( -5.437 -0.979 -0.531) 5.550 2.544 ( 5.437 -0.979 -0.531) 5.550 2.679 ( -1.392 -0.447 -1.784) 2.307 2.679 ( 1.392 -0.447 -1.784) 2.307 2.914 ( -0.387 4.493 1.420) 4.728 2.914 ( 0.387 4.493 1.420) 4.728 3.021 ( -0.917 1.245 0.421) 1.602 3.021 ( 0.917 1.245 0.421) 1.602 3.284 ( -2.773 3.334 0.055) 4.337 3.284 ( 2.773 3.334 0.055) 4.337 3.582 ( -2.101 0.765 0.032) 2.236 3.582 ( 2.101 0.765 0.032) 2.236 3.907 ( -4.482 8.338 -2.004) 9.676 3.907 ( 4.482 8.338 -2.004) 9.676 4.075 ( -1.979 5.098 2.676) 6.088 4.075 ( 1.979 5.098 2.676) 6.088 6.501 ( -2.876 2.990 0.429) 4.171 6.501 ( 2.876 2.990 0.429) 4.171 6.804 ( -1.936 -2.477 -4.242) 5.280 6.804 ( 1.936 -2.477 -4.242) 5.280 6.983 ( -2.815 1.573 0.769) 3.315 6.983 ( 2.815 1.573 0.769) 3.315 7.233 ( -1.234 -1.990 0.952) 2.527 7.233 ( 1.234 -1.990 0.952) 2.527 7.558 ( -2.367 6.229 -3.420) 7.490 7.558 ( 2.367 6.229 -3.420) 7.490 7.774 ( -1.066 3.849 1.766) 4.367 7.774 ( 1.066 3.849 1.766) 4.367 8.012 ( -1.765 7.669 -1.176) 7.956 8.012 ( 1.765 7.669 -1.176) 7.956 8.439 ( -10.348 7.724 0.318) 12.917 8.439 ( 10.348 7.724 0.318) 12.917 9.022 ( -1.191 7.271 -2.492) 7.778 9.022 ( 1.191 7.271 -2.492) 7.778 9.327 ( -0.779 -3.537 -1.308) 3.851 9.327 ( 0.779 -3.537 -1.308) 3.851 9.913 ( -0.874 -0.500 2.392) 2.595 9.913 ( 0.874 -0.500 2.392) 2.595 10.241 ( -2.479 -7.004 -1.600) 7.600 10.241 ( 2.479 -7.004 -1.600) 7.600 ======================= Grid point 90 (37/105) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.000 9.931 0.425) 9.940 1.884 ( 0.000 11.498 -1.816) 11.641 1.953 ( 0.000 4.866 -2.172) 5.329 2.035 ( 0.000 4.303 -0.758) 4.369 2.163 ( 0.000 3.134 3.352) 4.589 2.167 ( 0.000 -1.292 5.767) 5.910 2.236 ( 0.000 -1.400 -0.750) 1.588 2.303 ( 0.000 -1.989 -2.222) 2.982 2.450 ( 0.000 -1.242 -0.220) 1.261 2.599 ( 0.000 -1.349 -0.480) 1.432 2.668 ( 0.000 -1.274 1.653) 2.087 2.717 ( 0.000 -2.268 -5.902) 6.323 2.943 ( 0.000 1.350 0.615) 1.484 2.991 ( 0.000 1.179 -1.268) 1.731 2.998 ( 0.000 0.526 -0.126) 0.541 3.047 ( 0.000 -0.151 2.128) 2.133 3.289 ( 0.000 1.035 -4.282) 4.406 3.295 ( 0.000 -1.314 0.556) 1.427 3.541 ( 0.000 -4.536 5.760) 7.331 3.637 ( 0.000 -3.948 -5.731) 6.959 3.949 ( 0.000 11.061 -0.176) 11.063 4.053 ( 0.000 6.593 -0.504) 6.612 4.294 ( 0.000 10.009 3.023) 10.456 4.303 ( 0.000 9.914 1.148) 9.980 6.482 ( 0.000 2.274 1.268) 2.604 6.660 ( 0.000 -0.811 -1.971) 2.131 6.678 ( 0.000 0.570 -1.390) 1.502 6.831 ( 0.000 -1.122 -4.482) 4.621 6.972 ( 0.000 4.095 -1.864) 4.499 7.055 ( 0.000 0.785 3.178) 3.273 7.169 ( 0.000 -2.156 -0.954) 2.358 7.196 ( 0.000 -3.325 1.194) 3.533 7.614 ( 0.000 4.837 -3.858) 6.188 7.682 ( 0.000 2.346 -3.479) 4.196 7.867 ( 0.000 3.838 0.300) 3.849 7.871 ( 0.000 2.485 -0.612) 2.559 8.162 ( 0.000 9.723 -2.525) 10.045 8.162 ( 0.000 5.797 -1.921) 6.107 8.343 ( 0.000 5.755 3.987) 7.001 8.684 ( 0.000 -4.545 -0.517) 4.574 9.098 ( 0.000 0.423 -1.226) 1.297 9.128 ( 0.000 0.920 -3.372) 3.496 9.264 ( 0.000 1.957 2.517) 3.189 9.326 ( 0.000 -0.120 -0.755) 0.765 9.886 ( 0.000 0.064 0.759) 0.761 9.961 ( 0.000 2.161 1.769) 2.792 10.042 ( 0.000 -5.577 -0.914) 5.652 10.164 ( 0.000 -5.006 -0.725) 5.058 ======================= Grid point 91 (38/105) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 0.735 9.150 0.284) 9.184 1.875 ( -0.844 11.123 -1.224) 11.222 1.937 ( -0.766 7.169 -0.100) 7.211 2.028 ( -5.272 5.591 3.849) 8.595 2.069 ( 2.203 0.616 -1.059) 2.521 2.191 ( -3.383 -1.947 -1.624) 4.228 2.325 ( 6.159 -4.211 0.306) 7.467 2.350 ( 5.183 1.592 -0.046) 5.422 2.441 ( -0.450 -1.257 0.407) 1.396 2.594 ( -1.027 -0.648 -0.661) 1.383 2.660 ( -0.671 -1.379 1.122) 1.901 2.686 ( -2.871 -2.458 -3.948) 5.465 2.953 ( 0.907 1.564 0.562) 1.894 2.988 ( -0.533 2.246 0.342) 2.334 3.007 ( 1.020 -0.594 -1.041) 1.574 3.043 ( -0.487 -0.196 1.660) 1.741 3.289 ( 0.515 0.413 -1.674) 1.800 3.310 ( 0.720 -0.154 -1.364) 1.550 3.521 ( -1.312 -5.364 2.853) 6.216 3.590 ( -3.843 -3.809 -4.789) 7.226 4.007 ( 5.202 10.724 -0.088) 11.920 4.101 ( 3.984 7.705 -0.097) 8.675 4.249 ( -3.572 10.074 2.526) 10.982 4.290 ( -2.082 9.008 1.869) 9.433 6.505 ( 2.285 2.527 0.928) 3.531 6.633 ( -3.272 3.749 -0.849) 5.048 6.691 ( 2.199 -3.898 -2.313) 5.038 6.807 ( -2.428 -1.792 -3.994) 5.006 6.993 ( 1.743 3.535 -1.419) 4.189 7.044 ( -0.910 1.268 2.134) 2.644 7.175 ( 0.540 -2.315 -0.611) 2.455 7.195 ( -0.186 -3.017 0.844) 3.138 7.633 ( 1.914 5.175 -3.854) 6.730 7.692 ( 0.571 3.544 -4.032) 5.399 7.837 ( -2.149 2.732 0.842) 3.576 7.856 ( -1.599 1.975 -0.472) 2.585 8.157 ( 0.624 8.291 -1.708) 8.488 8.182 ( 0.410 8.414 -1.386) 8.537 8.397 ( 5.499 4.081 2.532) 7.301 8.641 ( -4.429 -2.784 -0.192) 5.235 9.096 ( 0.120 0.524 -1.418) 1.516 9.131 ( -0.405 3.347 -2.428) 4.154 9.245 ( -0.388 -1.882 1.242) 2.288 9.317 ( -1.516 -0.404 -0.399) 1.619 9.896 ( 1.098 0.565 0.930) 1.546 9.950 ( -1.050 2.030 1.558) 2.766 10.072 ( 2.595 -5.314 -0.803) 5.968 10.154 ( -1.107 -5.034 -0.737) 5.206 ======================= Grid point 92 (39/105) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -0.633 9.416 -0.270) 9.441 1.860 ( 0.633 9.416 -0.270) 9.441 1.950 ( -2.485 7.895 2.527) 8.654 1.950 ( 2.485 7.895 2.527) 8.654 2.125 ( -3.376 -1.150 -1.982) 4.080 2.125 ( 3.376 -1.150 -1.982) 4.080 2.386 ( -2.071 -2.317 -1.364) 3.394 2.386 ( 2.071 -2.317 -1.364) 3.394 2.522 ( -6.706 -0.026 0.364) 6.716 2.522 ( 6.706 -0.026 0.364) 6.716 2.652 ( -0.234 -1.933 -0.409) 1.990 2.652 ( 0.234 -1.933 -0.409) 1.990 2.972 ( -1.010 1.950 0.511) 2.255 2.972 ( 1.010 1.950 0.511) 2.255 3.028 ( -1.051 -0.379 0.350) 1.171 3.028 ( 1.051 -0.379 0.350) 1.171 3.306 ( -1.007 0.464 -0.888) 1.420 3.306 ( 1.007 0.464 -0.888) 1.420 3.526 ( -2.212 -5.204 -2.259) 6.089 3.526 ( 2.212 -5.204 -2.259) 6.089 4.111 ( -4.558 11.038 0.137) 11.943 4.111 ( 4.558 11.038 0.137) 11.943 4.232 ( -3.123 7.888 2.339) 8.800 4.232 ( 3.123 7.888 2.339) 8.800 6.563 ( -3.684 3.162 0.085) 4.856 6.563 ( 3.684 3.162 0.085) 4.856 6.748 ( -3.470 -3.030 -3.000) 5.498 6.748 ( 3.470 -3.030 -3.000) 5.498 7.023 ( -1.316 2.380 0.035) 2.720 7.023 ( 1.316 2.380 0.035) 2.720 7.187 ( -0.653 -2.613 0.113) 2.696 7.187 ( 0.653 -2.613 0.113) 2.696 7.677 ( -2.223 5.552 -4.233) 7.327 7.677 ( 2.223 5.552 -4.233) 7.327 7.824 ( -1.099 1.152 0.547) 1.683 7.824 ( 1.099 1.152 0.547) 1.683 8.175 ( -0.927 8.742 -1.041) 8.852 8.175 ( 0.927 8.742 -1.041) 8.852 8.526 ( -7.183 0.918 0.777) 7.283 8.526 ( 7.183 0.918 0.777) 7.283 9.109 ( -1.227 2.335 -1.400) 2.986 9.109 ( 1.227 2.335 -1.400) 2.986 9.273 ( -2.633 -2.370 -0.191) 3.548 9.273 ( 2.633 -2.370 -0.191) 3.548 9.924 ( -1.624 1.519 1.255) 2.553 9.924 ( 1.624 1.519 1.255) 2.553 10.122 ( -2.307 -5.113 -0.758) 5.660 10.122 ( 2.307 -5.113 -0.758) 5.660 ======================= Grid point 95 (40/105) ======================= q-point: ( 0.00 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 0.000 5.901 -0.529) 5.924 2.005 ( 0.000 3.268 -0.581) 3.319 2.061 ( 0.000 -0.792 1.179) 1.420 2.073 ( 0.000 1.828 -1.119) 2.143 2.153 ( 0.000 0.755 -0.773) 1.081 2.183 ( 0.000 -1.513 -0.494) 1.592 2.236 ( 0.000 3.252 2.197) 3.925 2.318 ( 0.000 0.139 -2.244) 2.249 2.409 ( 0.000 0.589 1.660) 1.761 2.515 ( 0.000 -6.297 0.477) 6.316 2.671 ( 0.000 0.949 -0.306) 0.997 2.688 ( 0.000 -0.860 -2.786) 2.916 2.963 ( 0.000 0.735 -0.482) 0.879 2.978 ( 0.000 -0.838 -1.518) 1.734 3.026 ( 0.000 0.982 0.933) 1.354 3.040 ( 0.000 -0.539 1.712) 1.795 3.292 ( 0.000 0.769 -0.448) 0.890 3.303 ( 0.000 0.202 -3.456) 3.462 3.480 ( 0.000 -0.483 1.526) 1.601 3.532 ( 0.000 -5.004 -3.436) 6.070 4.128 ( 0.000 5.785 0.600) 5.816 4.160 ( 0.000 2.533 0.249) 2.545 4.436 ( 0.000 3.809 1.902) 4.258 4.438 ( 0.000 3.510 1.305) 3.744 6.530 ( 0.000 2.643 0.549) 2.700 6.590 ( 0.000 -3.428 -0.648) 3.489 6.746 ( 0.000 3.304 -2.084) 3.906 6.800 ( 0.000 -2.118 -3.298) 3.920 7.048 ( 0.000 3.507 -1.283) 3.734 7.084 ( 0.000 2.207 1.377) 2.601 7.114 ( 0.000 -3.205 -0.632) 3.267 7.136 ( 0.000 -2.807 0.371) 2.831 7.687 ( 0.000 2.343 -3.312) 4.057 7.707 ( 0.000 0.177 -2.856) 2.861 7.905 ( 0.000 1.053 -2.630) 2.833 7.910 ( 0.000 0.742 -2.716) 2.816 8.287 ( 0.000 5.675 -0.718) 5.720 8.326 ( 0.000 4.294 -1.595) 4.580 8.420 ( 0.000 4.302 2.027) 4.755 8.559 ( 0.000 -7.574 -0.024) 7.574 9.086 ( 0.000 -0.833 0.099) 0.839 9.092 ( 0.000 -1.730 -0.717) 1.873 9.323 ( 0.000 1.903 1.109) 2.203 9.333 ( 0.000 0.427 0.153) 0.454 9.899 ( 0.000 1.404 0.189) 1.417 9.948 ( 0.000 -3.677 -0.353) 3.694 10.014 ( 0.000 3.060 0.597) 3.118 10.080 ( 0.000 -3.662 -0.144) 3.665 ======================= Grid point 96 (41/105) ======================= q-point: ( 0.25 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -0.055 5.075 -0.712) 5.125 2.011 ( -0.058 4.418 -0.816) 4.493 2.046 ( -0.118 0.029 -0.631) 0.643 2.075 ( 0.157 1.626 0.063) 1.635 2.136 ( -1.295 1.457 -0.839) 2.122 2.186 ( -3.187 6.687 1.528) 7.563 2.224 ( 2.984 -5.425 0.507) 6.212 2.331 ( -0.944 -5.701 -0.949) 5.856 2.449 ( 4.778 3.966 1.112) 6.308 2.544 ( 2.654 -4.515 -0.027) 5.237 2.647 ( -2.766 0.475 -0.160) 2.811 2.660 ( -2.541 -0.646 -2.057) 3.332 2.975 ( 1.134 0.787 -0.283) 1.409 2.990 ( 1.161 -0.833 -1.025) 1.758 3.019 ( -0.723 0.977 0.743) 1.425 3.034 ( -0.654 -0.627 1.317) 1.598 3.304 ( 1.336 1.435 -0.811) 2.122 3.323 ( 1.803 0.426 -3.373) 3.849 3.443 ( -3.138 -1.325 0.787) 3.496 3.489 ( -3.869 -4.895 -3.381) 7.097 4.183 ( 5.129 5.761 0.856) 7.761 4.215 ( 5.044 2.553 0.517) 5.677 4.396 ( -3.801 4.298 1.699) 5.984 4.411 ( -3.096 2.823 1.432) 4.428 6.557 ( 2.699 2.780 0.255) 3.882 6.617 ( 2.752 -3.331 -0.891) 4.412 6.706 ( -3.709 3.319 -1.520) 5.205 6.765 ( -3.423 -2.563 -2.653) 5.033 7.059 ( 0.955 3.118 -1.150) 3.458 7.081 ( -0.192 2.391 0.673) 2.492 7.121 ( 0.551 -2.876 -0.694) 3.009 7.137 ( -0.005 -2.860 0.093) 2.862 7.713 ( 2.648 2.679 -3.247) 4.973 7.734 ( 2.590 0.575 -2.944) 3.963 7.871 ( -3.440 0.917 -2.435) 4.313 7.877 ( -2.865 0.317 -2.578) 3.867 8.308 ( 1.969 6.626 -0.564) 6.936 8.353 ( 1.569 6.537 -1.460) 6.879 8.426 ( 1.296 0.323 1.661) 2.132 8.539 ( -2.095 -6.932 -0.040) 7.241 9.097 ( 1.793 0.532 -0.051) 1.871 9.128 ( 3.112 -2.062 -0.458) 3.761 9.260 ( -4.979 2.329 0.783) 5.552 9.302 ( -3.751 -1.531 0.307) 4.063 9.922 ( 2.211 2.132 0.267) 3.083 9.980 ( 2.674 -3.506 -0.328) 4.422 10.003 ( -1.080 2.772 0.581) 3.031 10.069 ( -1.198 -3.707 -0.160) 3.899 ======================= Grid point 97 (42/105) ======================= q-point: (-0.50 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -0.521 4.872 -1.048) 5.010 2.000 ( 0.521 4.872 -1.048) 5.010 2.067 ( -1.309 -1.098 -1.054) 2.007 2.067 ( 1.309 -1.098 -1.054) 2.007 2.133 ( -1.645 6.892 1.191) 7.185 2.133 ( 1.645 6.892 1.191) 7.185 2.286 ( -3.218 -7.050 0.261) 7.754 2.286 ( 3.218 -7.050 0.261) 7.754 2.555 ( -5.173 2.682 -0.245) 5.832 2.555 ( 5.173 2.682 -0.245) 5.832 2.608 ( -2.609 -2.453 -0.434) 3.607 2.608 ( 2.609 -2.453 -0.434) 3.607 2.999 ( -1.264 0.905 0.224) 1.571 2.999 ( 1.264 0.905 0.224) 1.571 3.015 ( -1.267 -0.773 0.226) 1.501 3.015 ( 1.267 -0.773 0.226) 1.501 3.338 ( -1.481 2.914 -1.683) 3.676 3.338 ( 1.481 2.914 -1.683) 3.676 3.419 ( -2.271 -5.059 -2.170) 5.955 3.419 ( 2.271 -5.059 -2.170) 5.955 4.289 ( -3.877 5.993 0.844) 7.187 4.289 ( 3.877 5.993 0.844) 7.187 4.332 ( -3.395 1.661 1.602) 4.105 4.332 ( 3.395 1.661 1.602) 4.105 6.625 ( -4.272 3.111 -0.532) 5.312 6.625 ( 4.272 3.111 -0.532) 5.312 6.687 ( -4.278 -3.086 -1.593) 5.510 6.687 ( 4.278 -3.086 -1.593) 5.510 7.075 ( -0.562 2.781 -0.463) 2.875 7.075 ( 0.562 2.781 -0.463) 2.875 7.132 ( -0.518 -2.881 -0.469) 2.964 7.132 ( 0.518 -2.881 -0.469) 2.964 7.770 ( -1.695 3.704 -3.646) 5.467 7.770 ( 1.695 3.704 -3.646) 5.467 7.821 ( -1.263 -1.392 -1.819) 2.616 7.821 ( 1.263 -1.392 -1.819) 2.616 8.347 ( -1.723 8.183 -0.431) 8.373 8.347 ( 1.723 8.183 -0.431) 8.373 8.482 ( -3.692 -4.961 0.196) 6.187 8.482 ( 3.692 -4.961 0.196) 6.187 9.154 ( -3.602 2.727 -0.077) 4.519 9.154 ( 3.602 2.727 -0.077) 4.519 9.217 ( -4.082 -3.267 0.346) 5.240 9.217 ( 4.082 -3.268 0.346) 5.240 9.968 ( -2.292 2.854 0.396) 3.681 9.968 ( 2.292 2.854 0.396) 3.681 10.034 ( -2.454 -3.798 -0.189) 4.526 10.034 ( 2.454 -3.798 -0.189) 4.526 ======================= Grid point 130 (43/105) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 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| 0.720 ( 0.000 0.000 15.112) 15.112 1.071 ( 0.000 0.000 4.783) 4.783 1.088 ( 0.000 0.000 23.868) 23.868 1.317 ( 0.000 0.000 -7.495) 7.495 1.769 ( 0.000 0.000 -0.393) 0.393 1.852 ( 0.000 0.000 42.226) 42.226 1.967 ( 0.000 0.000 0.206) 0.206 2.043 ( 0.000 0.000 -1.430) 1.430 2.054 ( 0.000 0.000 -9.551) 9.551 2.293 ( 0.000 0.000 -7.283) 7.283 2.392 ( 0.000 0.000 -4.055) 4.055 2.394 ( 0.000 0.000 -4.099) 4.099 2.678 ( 0.000 0.000 4.049) 4.049 2.746 ( 0.000 0.000 3.439) 3.439 2.850 ( 0.000 0.000 2.995) 2.995 2.867 ( 0.000 0.000 2.668) 2.668 3.070 ( 0.000 0.000 -7.734) 7.734 3.181 ( 0.000 0.000 5.871) 5.871 3.265 ( 0.000 0.000 3.748) 3.748 3.490 ( 0.000 0.000 8.791) 8.791 3.575 ( 0.000 0.000 -4.108) 4.108 3.896 ( 0.000 0.000 -3.217) 3.217 4.269 ( 0.000 0.000 -0.591) 0.591 4.323 ( 0.000 0.000 -11.336) 11.336 6.416 ( 0.000 0.000 6.919) 6.919 6.463 ( 0.000 0.000 -5.253) 5.253 6.520 ( 0.000 0.000 2.893) 2.893 6.583 ( 0.000 0.000 4.493) 4.493 6.877 ( 0.000 0.000 -5.100) 5.100 6.935 ( 0.000 0.000 0.202) 0.202 6.969 ( 0.000 0.000 -2.381) 2.381 7.083 ( 0.000 0.000 -2.544) 2.544 7.250 ( 0.000 0.000 -0.906) 0.906 7.258 ( 0.000 0.000 0.790) 0.790 7.347 ( 0.000 0.000 -6.993) 6.993 7.362 ( 0.000 0.000 -5.925) 5.925 7.524 ( 0.000 0.000 1.151) 1.151 7.553 ( 0.000 0.000 1.333) 1.333 7.800 ( 0.000 0.000 8.022) 8.022 7.922 ( 0.000 0.000 3.662) 3.662 7.924 ( 0.000 0.000 3.221) 3.221 8.458 ( 0.000 0.000 -10.842) 10.842 9.537 ( 0.000 0.000 -3.509) 3.509 9.581 ( 0.000 0.000 -2.763) 2.763 10.181 ( 0.000 0.000 6.821) 6.821 10.363 ( 0.000 0.000 -2.240) 2.240 10.423 ( 0.000 0.000 -2.818) 2.818 10.771 ( 0.000 0.000 -12.160) 12.160 ======================= Grid point 131 (44/105) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 5.599 0.000 13.018) 14.171 1.024 ( -4.770 0.000 5.943) 7.620 1.025 ( -3.179 0.000 23.695) 23.908 1.221 ( -8.841 0.000 1.061) 8.904 1.794 ( 2.857 0.000 -5.258) 5.983 1.940 ( 0.485 0.000 5.132) 5.155 1.981 ( 1.282 0.000 -0.100) 1.286 2.034 ( -0.944 0.000 -1.239) 1.557 2.102 ( 11.284 0.000 20.320) 23.243 2.386 ( 8.018 0.000 -5.162) 9.536 2.392 ( 0.038 0.000 -4.063) 4.063 2.394 ( -0.043 0.000 -4.094) 4.094 2.612 ( -5.479 0.000 7.309) 9.135 2.790 ( -1.353 0.000 -0.661) 1.506 2.852 ( 0.251 0.000 2.945) 2.955 2.865 ( -0.260 0.000 2.713) 2.726 2.991 ( -3.967 0.000 -2.233) 4.553 3.162 ( -4.424 0.000 6.989) 8.272 3.225 ( -0.762 0.000 2.739) 2.843 3.325 ( -6.579 0.000 -1.087) 6.669 3.804 ( 13.054 0.000 1.287) 13.117 3.970 ( 5.953 0.000 -3.792) 7.058 4.231 ( -3.502 0.000 -2.242) 4.158 4.288 ( -3.521 0.000 -10.242) 10.830 6.436 ( 2.033 0.000 6.655) 6.959 6.464 ( 0.185 0.000 -4.203) 4.207 6.502 ( -1.515 0.000 0.954) 1.790 6.551 ( -2.951 0.000 4.997) 5.803 6.887 ( 1.274 0.000 -4.028) 4.225 6.963 ( 2.639 0.000 -0.335) 2.660 6.965 ( -0.993 0.000 -2.714) 2.891 7.066 ( -1.805 0.000 -2.218) 2.859 7.211 ( -0.833 0.000 1.363) 1.597 7.280 ( -1.083 0.000 2.379) 2.614 7.350 ( 0.259 0.000 -6.847) 6.852 7.361 ( -0.178 0.000 -6.110) 6.113 7.471 ( -2.016 0.000 2.368) 3.110 7.522 ( -1.617 0.000 0.538) 1.704 7.922 ( 0.030 0.000 3.598) 3.598 7.923 ( -0.031 0.000 3.297) 3.297 7.971 ( 12.766 0.000 2.036) 12.928 8.384 ( -7.292 0.000 -7.938) 10.779 9.544 ( 0.680 0.000 -3.260) 3.330 9.574 ( -0.626 0.000 -2.739) 2.809 10.189 ( 1.030 0.000 6.438) 6.519 10.290 ( -4.040 0.000 3.300) 5.217 10.536 ( 7.516 0.000 -9.822) 12.368 10.746 ( -2.746 0.000 -12.571) 12.868 ======================= Grid point 132 (45/105) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -7.144 0.000 9.055) 11.534 0.906 ( 7.144 0.000 9.055) 11.534 1.056 ( -6.513 0.000 14.488) 15.885 1.056 ( 6.513 0.000 14.488) 15.885 1.872 ( -4.885 0.000 -8.756) 10.026 1.872 ( 4.885 0.000 -8.756) 10.026 2.009 ( -1.539 0.000 -0.724) 1.701 2.009 ( 1.539 0.000 -0.724) 1.701 2.384 ( -13.148 0.000 21.766) 25.428 2.384 ( 13.148 0.000 21.766) 25.428 2.393 ( -0.059 0.000 -4.079) 4.080 2.393 ( 0.059 0.000 -4.079) 4.080 2.621 ( -10.581 0.000 -3.881) 11.270 2.621 ( 10.581 0.000 -3.881) 11.270 2.858 ( -0.362 0.000 2.827) 2.850 2.858 ( 0.362 0.000 2.827) 2.850 3.044 ( -6.230 0.000 0.409) 6.244 3.044 ( 6.230 0.000 0.409) 6.244 3.249 ( -2.410 0.000 1.778) 2.995 3.249 ( 2.410 0.000 1.778) 2.995 3.999 ( -5.858 0.000 -0.385) 5.871 3.999 ( 5.858 0.000 -0.385) 5.871 4.208 ( -3.320 0.000 -7.801) 8.478 4.208 ( 3.320 0.000 -7.801) 8.478 6.475 ( -1.121 0.000 -2.092) 2.373 6.475 ( 1.121 0.000 -2.092) 2.373 6.488 ( -3.329 0.000 5.930) 6.800 6.488 ( 3.329 0.000 5.930) 6.800 6.926 ( -2.576 0.000 -2.840) 3.834 6.926 ( 2.576 0.000 -2.840) 3.834 7.019 ( -2.942 0.000 -1.366) 3.243 7.019 ( 2.942 0.000 -1.366) 3.243 7.232 ( -2.633 0.000 3.336) 4.249 7.232 ( 2.633 0.000 3.336) 4.249 7.356 ( -0.319 0.000 -6.498) 6.506 7.356 ( 0.319 0.000 -6.498) 6.506 7.484 ( -2.091 0.000 0.511) 2.152 7.484 ( 2.091 0.000 0.511) 2.152 7.923 ( -0.050 0.000 3.454) 3.454 7.923 ( 0.050 0.000 3.454) 3.454 8.204 ( -11.265 0.000 -3.130) 11.692 8.204 ( 11.265 0.000 -3.130) 11.692 9.560 ( -0.874 0.000 -2.879) 3.009 9.560 ( 0.874 0.000 -2.879) 3.009 10.225 ( -2.778 0.000 5.531) 6.190 10.225 ( 2.778 0.000 5.531) 6.190 10.665 ( -5.687 0.000 -12.765) 13.974 10.665 ( 5.687 0.000 -12.765) 13.974 ======================= Grid point 135 (46/105) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 21.761 11.658) 24.687 1.081 ( 0.000 2.598 19.908) 20.077 1.383 ( 0.000 6.746 -6.388) 9.291 1.389 ( 0.000 24.566 4.541) 24.982 1.752 ( 0.000 -1.191 -0.473) 1.282 1.912 ( 0.000 7.008 34.337) 35.045 1.968 ( 0.000 0.606 0.248) 0.655 2.056 ( 0.000 1.358 -7.864) 7.980 2.177 ( 0.000 11.288 -1.538) 11.392 2.344 ( 0.000 5.157 -6.286) 8.131 2.426 ( 0.000 2.911 -4.313) 5.204 2.448 ( 0.000 4.083 -1.117) 4.233 2.644 ( 0.000 -2.831 3.266) 4.322 2.748 ( 0.000 0.448 3.910) 3.936 2.876 ( 0.000 2.443 2.309) 3.361 2.924 ( 0.000 4.842 2.366) 5.389 3.067 ( 0.000 -0.366 -6.336) 6.346 3.177 ( 0.000 -0.194 5.673) 5.676 3.300 ( 0.000 4.218 2.573) 4.941 3.489 ( 0.000 0.002 9.106) 9.106 3.567 ( 0.000 -0.783 -3.222) 3.316 3.874 ( 0.000 -1.992 -2.968) 3.575 4.238 ( 0.000 -3.037 -0.418) 3.066 4.289 ( 0.000 -3.295 -11.126) 11.603 6.373 ( 0.000 -0.305 0.629) 0.699 6.505 ( 0.000 -0.924 2.513) 2.678 6.662 ( 0.000 10.934 -0.672) 10.954 6.773 ( 0.000 17.464 3.101) 17.737 6.848 ( 0.000 -2.104 -5.874) 6.240 6.872 ( 0.000 -2.813 -1.662) 3.267 7.030 ( 0.000 3.555 0.434) 3.581 7.176 ( 0.000 5.699 -0.325) 5.708 7.242 ( 0.000 0.132 -1.618) 1.623 7.279 ( 0.000 1.629 -1.423) 2.163 7.400 ( 0.000 4.861 -5.342) 7.223 7.438 ( 0.000 5.786 -3.566) 6.797 7.534 ( 0.000 2.170 0.984) 2.383 7.678 ( 0.000 13.535 -3.343) 13.942 7.789 ( 0.000 -0.245 5.686) 5.691 7.957 ( 0.000 3.208 1.328) 3.472 8.012 ( 0.000 8.689 4.332) 9.709 8.489 ( 0.000 3.288 -10.179) 10.697 9.511 ( 0.000 -2.537 -3.581) 4.389 9.546 ( 0.000 -3.386 -2.862) 4.434 10.151 ( 0.000 -2.826 6.413) 7.008 10.287 ( 0.000 -6.421 0.775) 6.468 10.399 ( 0.000 -2.431 -2.837) 3.736 10.706 ( 0.000 -6.155 -10.814) 12.443 ======================= Grid point 136 (47/105) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -0.105 7.684 16.548) 18.245 1.120 ( 3.872 18.125 13.179) 22.742 1.270 ( -9.484 7.589 0.733) 12.169 1.339 ( -4.978 23.558 5.537) 24.707 1.785 ( 3.492 -0.270 -4.709) 5.869 1.943 ( -2.488 1.414 -2.774) 3.986 2.012 ( 5.650 2.191 15.104) 16.275 2.073 ( 1.581 4.192 1.137) 4.622 2.209 ( 5.112 10.202 4.783) 12.373 2.383 ( 1.326 2.898 -4.094) 5.188 2.450 ( 3.737 4.483 -2.774) 6.462 2.457 ( 2.173 2.963 -2.016) 4.191 2.598 ( -4.161 -1.041 5.492) 6.969 2.769 ( -1.085 -1.012 1.341) 2.000 2.879 ( 0.117 2.356 2.064) 3.134 2.912 ( -1.838 3.998 3.028) 5.341 3.020 ( -1.930 2.505 -3.023) 4.375 3.181 ( -2.483 2.103 7.382) 8.067 3.226 ( -3.521 0.748 3.669) 5.140 3.329 ( -6.231 0.843 -1.346) 6.431 3.787 ( 12.378 -1.595 2.054) 12.648 3.941 ( 5.395 -2.636 -3.553) 6.977 4.204 ( -3.144 -2.682 -1.899) 4.549 4.256 ( -3.378 -3.158 -10.060) 11.072 6.389 ( 1.662 -0.465 0.510) 1.800 6.482 ( -2.236 -0.923 1.585) 2.892 6.666 ( 0.624 11.338 0.074) 11.356 6.739 ( -2.760 14.882 2.482) 15.338 6.857 ( 1.326 -1.281 -4.550) 4.909 6.892 ( 0.956 -0.786 -2.515) 2.803 7.045 ( 1.468 3.053 0.054) 3.388 7.154 ( -3.151 6.062 -0.690) 6.867 7.225 ( 1.125 1.215 0.316) 1.686 7.306 ( 0.412 1.815 -0.110) 1.864 7.404 ( 0.587 5.220 -4.929) 7.204 7.448 ( 0.917 6.492 -3.312) 7.345 7.505 ( -3.654 4.852 1.152) 6.182 7.548 ( -4.958 5.191 0.601) 7.204 7.905 ( 4.109 0.695 1.345) 4.379 7.953 ( -0.391 2.813 1.711) 3.315 8.087 ( 8.273 9.725 1.302) 12.833 8.425 ( -6.324 4.257 -7.771) 10.886 9.516 ( 0.534 -2.705 -3.344) 4.334 9.541 ( -0.481 -3.228 -2.891) 4.360 10.158 ( 0.926 -2.872 6.093) 6.799 10.242 ( -3.045 -4.451 3.713) 6.548 10.484 ( 6.629 -4.544 -7.498) 10.991 10.682 ( -2.668 -6.046 -11.014) 12.845 ======================= Grid point 137 (48/105) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -7.366 5.171 11.570) 14.658 1.082 ( 7.366 5.171 11.570) 14.658 1.229 ( -5.872 23.792 7.823) 25.725 1.229 ( 5.872 23.792 7.823) 25.725 1.868 ( -4.708 0.335 -7.366) 8.748 1.868 ( 4.708 0.335 -7.366) 8.748 2.073 ( -1.598 5.072 2.982) 6.097 2.073 ( 1.598 5.072 2.982) 6.097 2.346 ( -5.451 2.108 2.916) 6.532 2.346 ( 5.451 2.108 2.916) 6.532 2.503 ( -4.649 3.772 6.493) 8.831 2.503 ( 4.649 3.772 6.493) 8.831 2.623 ( -11.290 1.886 -0.866) 11.479 2.623 ( 11.290 1.886 -0.866) 11.479 2.884 ( -0.719 2.486 2.823) 3.829 2.884 ( 0.719 2.486 2.823) 3.829 3.069 ( -5.596 2.629 0.649) 6.217 3.069 ( 5.596 2.629 0.649) 6.217 3.249 ( -2.901 0.488 2.044) 3.583 3.249 ( 2.901 0.488 2.044) 3.583 3.969 ( -5.174 -2.923 0.070) 5.943 3.969 ( 5.174 -2.923 0.070) 5.943 4.183 ( -2.807 -2.490 -7.404) 8.301 4.183 ( 2.807 -2.490 -7.404) 8.301 6.432 ( -2.673 -0.770 0.574) 2.840 6.432 ( 2.673 -0.770 0.574) 2.840 6.691 ( -2.027 12.688 1.378) 12.923 6.691 ( 2.027 12.688 1.378) 12.923 6.888 ( -1.384 -0.397 -3.421) 3.712 6.888 ( 1.384 -0.397 -3.421) 3.712 7.088 ( -3.106 4.098 -0.342) 5.153 7.088 ( 3.106 4.098 -0.342) 5.153 7.274 ( -3.088 2.918 2.126) 4.751 7.274 ( 3.088 2.918 2.126) 4.751 7.428 ( -1.981 8.165 -3.888) 9.258 7.428 ( 1.981 8.165 -3.888) 9.258 7.493 ( -2.226 1.596 -0.127) 2.741 7.493 ( 2.226 1.596 -0.127) 2.741 7.942 ( -0.860 1.927 1.893) 2.835 7.942 ( 0.860 1.927 1.893) 2.835 8.269 ( -9.559 6.641 -3.595) 12.181 8.269 ( 9.559 6.641 -3.595) 12.181 9.529 ( -0.733 -2.971 -3.024) 4.302 9.529 ( 0.733 -2.971 -3.024) 4.302 10.190 ( -2.342 -3.318 5.353) 6.719 10.190 ( 2.342 -3.318 5.353) 6.719 10.604 ( -5.453 -5.650 -10.663) 13.242 10.604 ( 5.453 -5.650 -10.663) 13.242 ======================= Grid point 140 (49/105) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 0.000 8.074 14.462) 16.563 1.355 ( 0.000 11.420 12.326) 16.803 1.556 ( 0.000 8.988 -0.503) 9.002 1.729 ( 0.000 0.601 -0.869) 1.057 1.884 ( 0.000 18.957 0.060) 18.957 1.949 ( 0.000 1.170 1.013) 1.547 2.130 ( 0.000 8.016 -3.612) 8.792 2.229 ( 0.000 18.796 8.654) 20.692 2.425 ( 0.000 11.493 -0.250) 11.496 2.434 ( 0.000 2.888 -0.688) 2.969 2.483 ( 0.000 2.846 -5.292) 6.008 2.518 ( 0.000 0.755 3.007) 3.101 2.626 ( 0.000 4.422 1.455) 4.655 2.777 ( 0.000 2.837 4.741) 5.525 2.932 ( 0.000 2.619 1.109) 2.844 3.017 ( 0.000 3.112 0.691) 3.187 3.064 ( 0.000 1.362 -0.960) 1.667 3.190 ( 0.000 2.226 4.439) 4.966 3.437 ( 0.000 7.659 -3.985) 8.633 3.490 ( 0.000 -0.238 8.138) 8.141 3.563 ( 0.000 2.371 1.607) 2.865 3.839 ( 0.000 -0.432 -1.598) 1.655 4.150 ( 0.000 -5.795 0.115) 5.796 4.197 ( 0.000 -5.791 -10.183) 11.714 6.390 ( 0.000 1.691 0.616) 1.799 6.499 ( 0.000 0.506 1.755) 1.827 6.768 ( 0.000 0.791 0.752) 1.091 6.799 ( 0.000 -2.753 -6.100) 6.693 6.846 ( 0.000 -0.173 -0.953) 0.969 7.097 ( 0.000 2.235 1.702) 2.809 7.169 ( 0.000 17.512 -0.024) 17.512 7.203 ( 0.000 -0.222 -2.167) 2.178 7.310 ( 0.000 5.948 0.106) 5.949 7.347 ( 0.000 5.282 -2.518) 5.851 7.447 ( 0.000 0.402 0.208) 0.453 7.549 ( 0.000 5.789 -1.397) 5.955 7.689 ( 0.000 10.998 1.874) 11.156 7.813 ( 0.000 3.784 2.648) 4.619 7.954 ( 0.000 6.156 -0.155) 6.158 8.107 ( 0.000 16.525 -9.685) 19.154 8.265 ( 0.000 16.499 2.620) 16.706 8.601 ( 0.000 8.139 -7.687) 11.196 9.443 ( 0.000 -4.032 -3.626) 5.422 9.458 ( 0.000 -5.068 -3.121) 5.952 10.082 ( 0.000 -3.795 5.331) 6.544 10.155 ( 0.000 -6.231 3.566) 7.179 10.330 ( 0.000 -4.342 -2.830) 5.183 10.551 ( 0.000 -8.766 -7.759) 11.707 ======================= Grid point 141 (50/105) ======================= q-point: ( 0.25 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -0.053 9.543 13.121) 16.225 1.390 ( -6.140 9.896 2.750) 11.967 1.491 ( 4.243 9.744 11.602) 15.734 1.764 ( -1.802 10.321 -0.715) 10.501 1.852 ( -0.012 9.778 0.753) 9.807 1.948 ( -1.050 1.435 -3.620) 4.033 2.152 ( 3.337 10.628 0.099) 11.140 2.261 ( 1.272 15.372 4.843) 16.167 2.415 ( 0.078 7.844 -1.695) 8.025 2.461 ( -0.601 3.609 -3.435) 5.019 2.472 ( 1.169 1.006 -2.219) 2.702 2.520 ( -0.053 -0.607 2.475) 2.549 2.640 ( 2.402 7.774 4.565) 9.329 2.781 ( -0.547 2.491 4.123) 4.848 2.933 ( 0.234 2.724 1.276) 3.017 2.991 ( -2.339 3.251 1.691) 4.347 3.074 ( 1.594 3.151 0.151) 3.534 3.221 ( 2.382 2.189 3.033) 4.434 3.305 ( -9.489 6.179 6.028) 12.829 3.391 ( -4.237 6.574 -2.559) 8.229 3.747 ( 10.126 -2.155 3.266) 10.855 3.885 ( 3.384 -2.336 -2.324) 4.723 4.127 ( -1.972 -4.962 -0.980) 5.429 4.171 ( -2.621 -5.142 -9.342) 10.982 6.402 ( 1.199 1.446 0.648) 1.987 6.477 ( -2.068 0.544 1.446) 2.581 6.769 ( 0.357 0.032 -1.331) 1.379 6.797 ( -0.519 -2.026 -3.942) 4.462 6.881 ( 3.372 1.064 -0.727) 3.610 7.044 ( -4.239 3.405 0.714) 5.483 7.190 ( 1.651 14.088 -1.230) 14.238 7.242 ( 3.253 0.080 -0.187) 3.259 7.274 ( -2.483 6.928 -1.628) 7.537 7.353 ( -1.079 2.389 -0.304) 2.639 7.470 ( 2.686 3.267 -0.115) 4.230 7.552 ( -0.019 5.335 -1.283) 5.487 7.684 ( -0.265 11.915 1.907) 12.070 7.762 ( -4.298 10.357 2.600) 11.511 7.972 ( 1.574 4.444 -0.536) 4.745 8.058 ( -3.214 11.115 -4.918) 12.572 8.345 ( 6.309 15.833 -1.511) 17.110 8.562 ( -3.898 9.535 -6.449) 12.153 9.444 ( 0.175 -4.279 -3.397) 5.466 9.457 ( -0.185 -4.897 -3.207) 5.856 10.087 ( 0.674 -3.917 5.173) 6.523 10.138 ( -1.485 -5.459 4.210) 7.052 10.380 ( 4.445 -5.677 -4.757) 8.638 10.531 ( -2.189 -8.454 -7.717) 11.654 ======================= Grid point 142 (51/105) ======================= q-point: (-0.50 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -7.147 9.710 8.053) 14.499 1.229 ( 7.147 9.710 8.053) 14.499 1.641 ( -8.545 13.556 8.018) 17.918 1.641 ( 8.545 13.556 8.018) 17.918 1.903 ( -3.277 3.271 -5.182) 6.949 1.903 ( 3.277 3.271 -5.182) 6.949 2.234 ( -3.940 12.403 2.182) 13.196 2.234 ( 3.940 12.403 2.182) 13.196 2.431 ( -1.461 4.114 -3.119) 5.365 2.431 ( 1.461 4.114 -3.119) 5.365 2.505 ( -1.423 -1.130 -0.412) 1.863 2.505 ( 1.423 -1.130 -0.412) 1.863 2.724 ( -5.098 6.456 5.936) 10.144 2.724 ( 5.098 6.456 5.936) 10.144 2.950 ( -1.656 3.682 2.478) 4.737 2.950 ( 1.656 3.682 2.478) 4.737 3.141 ( -5.666 3.935 1.928) 7.163 3.141 ( 5.666 3.935 1.928) 7.163 3.305 ( -4.368 6.411 1.312) 7.868 3.305 ( 4.368 6.411 1.312) 7.868 3.892 ( -4.135 -4.525 0.853) 6.189 3.892 ( 4.135 -4.525 0.853) 6.189 4.117 ( -1.925 -3.775 -6.150) 7.469 4.117 ( 1.925 -3.775 -6.150) 7.469 6.434 ( -2.145 0.912 0.904) 2.500 6.434 ( 2.145 0.912 0.904) 2.500 6.782 ( -0.901 -0.907 -2.680) 2.970 6.782 ( 0.901 -0.907 -2.680) 2.970 6.958 ( -4.504 2.766 -0.031) 5.285 6.958 ( 4.504 2.766 -0.031) 5.285 7.228 ( -2.286 9.815 -2.012) 10.277 7.228 ( 2.286 9.815 -2.012) 10.277 7.307 ( -3.268 0.528 0.597) 3.364 7.307 ( 3.268 0.528 0.597) 3.364 7.529 ( -2.661 4.643 -0.702) 5.398 7.529 ( 2.661 4.643 -0.702) 5.398 7.695 ( -1.968 14.090 2.324) 14.416 7.695 ( 1.968 14.090 2.324) 14.416 8.008 ( -2.189 5.632 -1.895) 6.333 8.008 ( 2.189 5.632 -1.895) 6.333 8.465 ( -5.990 12.689 -4.199) 14.647 8.465 ( 5.990 12.689 -4.199) 14.647 9.451 ( -0.417 -4.624 -3.238) 5.660 9.451 ( 0.417 -4.624 -3.238) 5.660 10.108 ( -1.483 -4.481 4.817) 6.744 10.108 ( 1.483 -4.481 4.817) 6.744 10.468 ( -4.295 -7.438 -7.008) 11.085 10.468 ( 4.295 -7.438 -7.008) 11.085 ======================= Grid point 145 (52/105) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.000 11.743 7.631) 14.005 1.550 ( 0.000 8.948 12.490) 15.364 1.716 ( 0.000 7.467 -1.137) 7.553 1.757 ( 0.000 2.542 -1.201) 2.811 2.018 ( 0.000 5.619 -1.521) 5.821 2.089 ( 0.000 5.613 -3.594) 6.664 2.328 ( 0.000 5.037 4.007) 6.437 2.387 ( 0.000 -1.712 1.274) 2.134 2.494 ( 0.000 -1.382 -0.200) 1.396 2.541 ( 0.000 5.407 -6.922) 8.784 2.541 ( 0.000 5.556 -4.762) 7.318 2.609 ( 0.000 5.521 -1.077) 5.625 2.826 ( 0.000 11.255 6.410) 12.953 2.868 ( 0.000 5.870 4.760) 7.557 2.960 ( 0.000 0.135 0.126) 0.184 3.045 ( 0.000 1.751 0.850) 1.946 3.143 ( 0.000 5.350 3.210) 6.239 3.296 ( 0.000 8.582 1.102) 8.653 3.454 ( 0.000 -3.597 3.630) 5.110 3.499 ( 0.000 2.489 -3.096) 3.972 3.754 ( 0.000 12.635 0.980) 12.673 3.898 ( 0.000 6.135 0.965) 6.210 4.020 ( 0.000 -6.252 1.355) 6.397 4.078 ( 0.000 -5.004 -7.165) 8.739 6.431 ( 0.000 2.268 1.379) 2.654 6.526 ( 0.000 2.092 0.716) 2.212 6.739 ( 0.000 -3.274 -5.566) 6.458 6.766 ( 0.000 -0.455 -2.816) 2.852 6.846 ( 0.000 0.381 1.144) 1.206 7.116 ( 0.000 0.198 2.447) 2.455 7.186 ( 0.000 -0.862 -2.111) 2.280 7.340 ( 0.000 3.920 -3.612) 5.330 7.372 ( 0.000 -1.841 2.626) 3.207 7.455 ( 0.000 5.073 -1.948) 5.434 7.623 ( 0.000 14.494 -0.468) 14.501 7.678 ( 0.000 7.112 0.289) 7.118 7.804 ( 0.000 2.579 0.232) 2.590 7.992 ( 0.000 0.137 -3.036) 3.039 8.026 ( 0.000 14.619 5.628) 15.665 8.455 ( 0.000 15.223 -7.096) 16.795 8.625 ( 0.000 18.303 0.364) 18.307 8.794 ( 0.000 10.352 -5.070) 11.527 9.360 ( 0.000 -4.128 -3.176) 5.208 9.361 ( 0.000 -4.282 -3.177) 5.331 10.010 ( 0.000 -3.501 4.081) 5.377 10.051 ( 0.000 -3.930 3.903) 5.539 10.233 ( 0.000 -5.357 -2.577) 5.945 10.381 ( 0.000 -7.999 -4.767) 9.312 ======================= Grid point 146 (53/105) ======================= q-point: ( 0.25 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 0.835 12.454 6.824) 14.226 1.578 ( -8.092 8.060 1.556) 11.527 1.635 ( 7.599 7.651 11.020) 15.419 1.875 ( 6.298 3.082 -2.598) 7.478 1.958 ( -6.115 5.547 2.353) 8.585 2.059 ( -3.132 5.310 -2.706) 6.733 2.335 ( 1.959 2.349 -1.772) 3.535 2.419 ( 1.546 -0.426 2.141) 2.675 2.481 ( -0.810 -0.128 -2.064) 2.221 2.535 ( -0.264 4.154 -5.370) 6.794 2.542 ( -0.199 5.117 -3.980) 6.486 2.584 ( -2.315 7.457 -1.404) 7.933 2.837 ( 1.035 9.586 6.184) 11.455 2.868 ( -0.200 5.720 4.660) 7.381 2.973 ( 1.428 1.195 1.073) 2.149 3.036 ( -0.970 1.888 1.247) 2.461 3.159 ( 1.936 5.326 2.973) 6.399 3.291 ( -2.299 4.649 1.717) 5.463 3.421 ( 1.069 4.825 -0.036) 4.942 3.539 ( 0.194 5.477 -0.109) 5.482 3.756 ( 1.433 4.565 0.699) 4.836 3.880 ( -2.209 2.583 1.577) 3.747 4.030 ( 1.144 -3.461 -0.464) 3.675 4.074 ( -0.528 -3.237 -5.687) 6.565 6.440 ( 0.895 2.222 1.241) 2.698 6.503 ( -1.977 2.067 0.852) 2.984 6.739 ( 0.348 -2.524 -4.721) 5.365 6.764 ( -0.380 -1.158 -3.591) 3.792 6.890 ( 4.059 0.406 0.843) 4.166 7.063 ( -4.135 0.105 0.753) 4.204 7.231 ( 3.308 -0.976 -0.105) 3.451 7.348 ( -1.877 -1.896 -0.093) 2.670 7.352 ( 0.839 4.713 -0.947) 4.880 7.430 ( -2.244 5.965 -1.836) 6.633 7.640 ( 1.448 11.368 -0.920) 11.496 7.679 ( -0.139 7.299 -0.250) 7.305 7.826 ( 2.303 3.639 0.847) 4.389 7.946 ( -3.054 4.779 0.904) 5.743 8.093 ( 5.269 11.527 1.404) 12.752 8.366 ( -7.482 15.704 -3.670) 17.778 8.675 ( 3.623 16.198 -2.342) 16.762 8.779 ( -1.522 11.338 -4.773) 12.396 9.358 ( -0.087 -4.061 -3.072) 5.093 9.361 ( -0.095 -4.479 -3.150) 5.476 10.013 ( 0.399 -3.509 4.066) 5.385 10.042 ( -0.787 -3.817 3.994) 5.580 10.264 ( 2.896 -5.905 -3.272) 7.346 10.367 ( -1.536 -7.742 -4.713) 9.193 ======================= Grid point 147 (54/105) ======================= q-point: (-0.50 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -5.419 11.367 4.239) 13.287 1.444 ( 5.419 11.367 4.239) 13.287 1.803 ( -9.282 5.506 8.471) 13.719 1.803 ( 9.282 5.506 8.471) 13.719 1.982 ( -4.840 4.258 -3.366) 7.272 1.982 ( 4.840 4.258 -3.366) 7.272 2.394 ( -3.378 -0.566 -3.909) 5.197 2.394 ( 3.378 -0.566 -3.909) 5.197 2.504 ( -2.575 2.009 -0.261) 3.276 2.504 ( 2.575 2.009 -0.261) 3.276 2.550 ( -0.949 7.937 -3.473) 8.716 2.550 ( 0.949 7.937 -3.473) 8.716 2.857 ( -0.899 6.753 5.107) 8.514 2.857 ( 0.899 6.753 5.107) 8.514 3.008 ( -1.923 2.005 1.774) 3.296 3.008 ( 1.923 2.005 1.774) 3.296 3.218 ( -4.079 4.196 2.269) 6.276 3.218 ( 4.079 4.196 2.269) 6.276 3.489 ( -4.414 9.248 -0.304) 10.252 3.489 ( 4.414 9.248 -0.304) 10.252 3.817 ( -4.033 -1.453 1.305) 4.481 3.817 ( 4.033 -1.453 1.305) 4.481 4.056 ( -1.323 -1.374 -3.078) 3.621 4.056 ( 1.323 -1.374 -3.078) 3.621 6.465 ( -1.791 2.117 1.020) 2.954 6.465 ( 1.791 2.117 1.020) 2.954 6.752 ( -0.839 -1.803 -4.100) 4.557 6.752 ( 0.839 -1.803 -4.100) 4.557 6.977 ( -4.741 0.254 0.440) 4.768 6.977 ( 4.741 0.254 0.440) 4.768 7.294 ( -3.200 -1.435 1.066) 3.666 7.294 ( 3.200 -1.435 1.066) 3.666 7.385 ( -2.236 5.778 -2.203) 6.575 7.385 ( 2.236 5.778 -2.203) 6.575 7.667 ( -1.134 8.104 -1.000) 8.243 7.667 ( 1.134 8.104 -1.000) 8.243 7.884 ( -3.410 4.991 1.464) 6.220 7.884 ( 3.410 4.991 1.464) 6.220 8.216 ( -7.590 14.030 -0.671) 15.966 8.216 ( 7.590 14.030 -0.671) 15.966 8.738 ( -2.816 13.575 -3.978) 14.424 8.738 ( 2.816 13.575 -3.978) 14.424 9.358 ( -0.128 -4.338 -3.053) 5.306 9.358 ( 0.128 -4.338 -3.053) 5.306 10.026 ( -0.864 -3.610 4.058) 5.500 10.026 ( 0.864 -3.610 4.058) 5.500 10.323 ( -2.955 -6.961 -4.290) 8.695 10.323 ( 2.955 -6.961 -4.290) 8.695 ======================= Grid point 150 (55/105) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.000 11.977 1.980) 12.139 1.714 ( 0.000 7.555 7.094) 10.363 1.829 ( 0.000 4.634 -0.532) 4.664 1.870 ( 0.000 8.295 -1.606) 8.449 2.141 ( 0.000 5.817 -0.618) 5.850 2.179 ( 0.000 3.418 -2.443) 4.202 2.323 ( 0.000 -3.823 -0.046) 3.823 2.324 ( 0.000 -2.841 3.185) 4.268 2.469 ( 0.000 -1.200 0.044) 1.201 2.588 ( 0.000 0.471 -7.386) 7.401 2.623 ( 0.000 1.408 1.435) 2.010 2.678 ( 0.000 1.963 -1.808) 2.668 2.942 ( 0.000 -0.326 -0.979) 1.032 2.943 ( 0.000 2.239 2.264) 3.184 2.975 ( 0.000 2.985 1.745) 3.458 3.083 ( 0.000 1.158 2.066) 2.368 3.218 ( 0.000 0.763 -1.222) 1.441 3.368 ( 0.000 -4.275 1.113) 4.417 3.481 ( 0.000 7.278 -3.337) 8.006 3.656 ( 0.000 11.377 4.631) 12.284 3.804 ( 0.000 -5.082 -2.087) 5.494 3.947 ( 0.000 0.325 -3.426) 3.441 4.098 ( 0.000 12.635 2.266) 12.837 4.146 ( 0.000 10.741 2.509) 11.030 6.475 ( 0.000 2.051 1.708) 2.669 6.578 ( 0.000 3.004 -0.404) 3.031 6.674 ( 0.000 -3.151 -4.364) 5.383 6.753 ( 0.000 -0.764 -4.284) 4.352 6.873 ( 0.000 2.349 0.139) 2.353 7.115 ( 0.000 -0.284 2.403) 2.420 7.166 ( 0.000 -1.138 -2.305) 2.571 7.300 ( 0.000 -4.031 0.258) 4.040 7.434 ( 0.000 4.844 -2.120) 5.287 7.545 ( 0.000 4.044 -2.479) 4.743 7.810 ( 0.000 4.945 1.476) 5.160 7.823 ( 0.000 2.297 0.232) 2.308 7.902 ( 0.000 10.834 -2.732) 11.173 8.005 ( 0.000 2.530 -4.737) 5.370 8.288 ( 0.000 10.724 6.286) 12.430 8.664 ( 0.000 5.437 -2.234) 5.878 8.937 ( 0.000 11.985 -1.328) 12.058 8.973 ( 0.000 7.029 -3.693) 7.940 9.292 ( 0.000 -2.198 -1.459) 2.638 9.303 ( 0.000 -1.293 -2.519) 2.832 9.943 ( 0.000 -2.810 2.599) 3.828 10.005 ( 0.000 -0.975 3.361) 3.499 10.123 ( 0.000 -5.541 -2.038) 5.904 10.242 ( 0.000 -5.973 -2.691) 6.551 ======================= Grid point 151 (56/105) ======================= q-point: ( 0.25 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.679 12.037 1.932) 12.210 1.715 ( -1.822 6.808 2.543) 7.492 1.811 ( 2.430 8.776 5.277) 10.525 1.935 ( 3.696 3.902 -2.238) 5.822 2.076 ( -5.408 4.911 3.148) 7.955 2.137 ( -3.873 2.482 -1.998) 5.015 2.321 ( 1.891 -1.558 -3.472) 4.249 2.373 ( 1.426 -2.468 -0.196) 2.858 2.472 ( 0.820 -0.799 -0.012) 1.145 2.560 ( -2.412 0.017 -4.880) 5.443 2.636 ( 1.117 1.918 0.396) 2.255 2.675 ( -0.468 2.214 -1.738) 2.853 2.947 ( 0.327 2.417 2.303) 3.354 2.954 ( 0.430 1.732 1.447) 2.298 2.990 ( 1.965 1.203 0.382) 2.335 3.071 ( -1.230 1.126 1.799) 2.453 3.235 ( 1.815 1.100 -0.747) 2.249 3.354 ( -2.550 -0.975 1.806) 3.273 3.472 ( 1.453 2.724 -4.797) 5.704 3.650 ( -3.816 0.317 1.120) 3.990 3.804 ( 3.772 6.214 -0.351) 7.278 3.990 ( 0.663 2.703 -0.013) 2.784 4.067 ( -0.724 11.656 1.489) 11.773 4.145 ( -0.776 9.115 1.709) 9.306 6.485 ( 1.028 2.225 1.404) 2.824 6.554 ( -2.100 2.926 -0.014) 3.601 6.685 ( 1.203 -2.735 -4.234) 5.182 6.743 ( -1.080 -1.078 -4.262) 4.526 6.911 ( 3.516 1.804 -0.172) 3.956 7.064 ( -3.805 0.167 0.464) 3.837 7.204 ( 2.581 -1.786 -0.313) 3.154 7.287 ( -1.357 -3.709 0.682) 4.008 7.448 ( 1.540 5.044 -2.658) 5.906 7.531 ( -1.532 4.601 -2.563) 5.485 7.796 ( -0.739 4.127 0.049) 4.193 7.811 ( -1.173 3.144 0.310) 3.370 7.932 ( 2.716 8.879 -1.921) 9.481 8.009 ( -0.219 4.420 -2.971) 5.330 8.334 ( 4.816 10.149 4.711) 12.181 8.600 ( -6.194 7.102 -0.772) 9.455 8.947 ( 0.855 10.445 -2.151) 10.699 8.972 ( -0.230 7.356 -3.500) 8.150 9.287 ( -0.202 -2.784 -1.887) 3.369 9.301 ( -0.399 -1.268 -2.277) 2.636 9.950 ( 0.760 -2.517 2.749) 3.804 9.994 ( -1.040 -1.263 3.242) 3.631 10.150 ( 2.399 -5.461 -2.188) 6.353 10.231 ( -1.166 -5.876 -2.668) 6.558 ======================= Grid point 152 (57/105) ======================= q-point: (-0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -2.547 10.478 1.409) 10.874 1.663 ( 2.547 10.478 1.409) 10.874 1.908 ( -6.151 5.415 6.165) 10.255 1.908 ( 6.151 5.415 6.165) 10.255 2.058 ( -3.831 2.939 -2.330) 5.361 2.058 ( 3.831 2.939 -2.330) 5.361 2.363 ( -1.964 -1.397 -3.826) 4.522 2.363 ( 1.964 -1.397 -3.826) 4.522 2.509 ( -2.693 -0.395 -1.495) 3.105 2.509 ( 2.693 -0.395 -1.495) 3.105 2.659 ( -1.137 2.358 -0.764) 2.727 2.659 ( 1.137 2.358 -0.764) 2.727 2.953 ( -0.298 2.620 2.330) 3.519 2.953 ( 0.298 2.620 2.330) 3.519 3.036 ( -2.390 0.841 1.009) 2.728 3.036 ( 2.390 0.841 1.009) 2.728 3.287 ( -3.569 1.623 0.321) 3.934 3.287 ( 3.569 1.623 0.321) 3.934 3.547 ( -5.546 -2.798 -3.406) 7.084 3.547 ( 5.546 -2.798 -3.406) 7.084 3.914 ( -6.220 10.180 2.461) 12.181 3.914 ( 6.220 10.180 2.461) 12.181 4.109 ( -2.855 6.962 0.616) 7.550 4.109 ( 2.855 6.962 0.616) 7.550 6.513 ( -1.957 2.606 0.714) 3.336 6.513 ( 1.957 2.606 0.714) 3.336 6.715 ( -1.732 -1.869 -4.189) 4.903 6.715 ( 1.732 -1.869 -4.189) 4.903 6.987 ( -4.196 0.884 -0.246) 4.295 6.987 ( 4.196 0.884 -0.246) 4.295 7.251 ( -2.295 -2.786 0.586) 3.657 7.251 ( 2.295 -2.786 0.586) 3.657 7.490 ( -2.536 5.139 -2.783) 6.371 7.490 ( 2.536 5.139 -2.783) 6.371 7.793 ( -0.451 3.404 -0.330) 3.450 7.793 ( 0.451 3.404 -0.330) 3.450 7.984 ( -2.318 6.856 -1.378) 7.367 7.984 ( 2.318 6.856 -1.378) 7.367 8.459 ( -7.775 9.003 1.841) 12.037 8.459 ( 7.775 9.003 1.841) 12.037 8.963 ( -0.713 8.484 -3.045) 9.042 8.963 ( 0.713 8.484 -3.045) 9.042 9.290 ( -0.556 -2.302 -2.169) 3.211 9.290 ( 0.556 -2.302 -2.169) 3.211 9.971 ( -1.266 -1.835 3.030) 3.762 9.971 ( 1.266 -1.835 3.030) 3.762 10.198 ( -2.299 -5.629 -2.510) 6.578 10.198 ( 2.299 -5.629 -2.510) 6.578 ======================= Grid point 155 (58/105) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 0.000 9.228 -1.807) 9.403 1.855 ( 0.000 6.783 1.044) 6.863 1.935 ( 0.000 5.723 0.350) 5.734 2.029 ( 0.000 6.565 0.205) 6.569 2.210 ( 0.000 -1.078 -1.498) 1.846 2.210 ( 0.000 0.140 -0.711) 0.724 2.261 ( 0.000 -1.198 -0.508) 1.301 2.270 ( 0.000 -1.370 3.384) 3.651 2.447 ( 0.000 -0.974 0.380) 1.046 2.595 ( 0.000 0.887 -4.979) 5.058 2.613 ( 0.000 -2.168 1.567) 2.675 2.684 ( 0.000 -1.082 -0.265) 1.114 2.934 ( 0.000 -0.060 -3.055) 3.056 2.966 ( 0.000 0.320 1.362) 1.399 3.018 ( 0.000 1.520 1.299) 2.000 3.087 ( 0.000 -0.491 1.690) 1.759 3.212 ( 0.000 -0.173 -3.238) 3.243 3.302 ( 0.000 -2.324 -0.207) 2.333 3.512 ( 0.000 -2.792 -5.519) 6.185 3.612 ( 0.000 -7.576 0.517) 7.594 3.969 ( 0.000 12.584 2.425) 12.816 4.045 ( 0.000 7.972 -0.100) 7.973 4.332 ( 0.000 9.920 1.630) 10.053 4.356 ( 0.000 9.126 2.681) 9.512 6.511 ( 0.000 1.628 1.326) 2.100 6.614 ( 0.000 -2.197 -2.395) 3.250 6.642 ( 0.000 2.688 -1.885) 3.283 6.738 ( 0.000 -0.693 -4.332) 4.387 6.934 ( 0.000 3.716 -1.305) 3.938 7.108 ( 0.000 -0.261 1.929) 1.946 7.139 ( 0.000 -1.632 -2.022) 2.599 7.214 ( 0.000 -4.438 0.064) 4.438 7.532 ( 0.000 4.760 -3.263) 5.771 7.615 ( 0.000 2.870 -2.746) 3.972 7.837 ( 0.000 -0.099 -2.863) 2.865 7.843 ( 0.000 -0.630 -2.784) 2.854 8.121 ( 0.000 8.083 -1.591) 8.238 8.122 ( 0.000 10.653 -1.153) 10.716 8.433 ( 0.000 3.905 4.751) 6.150 8.677 ( 0.000 -3.431 -0.173) 3.435 9.066 ( 0.000 2.547 -1.704) 3.064 9.070 ( 0.000 1.919 -2.197) 2.917 9.298 ( 0.000 2.586 0.789) 2.704 9.306 ( 0.000 1.155 -1.165) 1.641 9.907 ( 0.000 -0.918 1.228) 1.534 10.003 ( 0.000 0.658 2.186) 2.283 10.018 ( 0.000 -4.878 -1.389) 5.072 10.143 ( 0.000 -4.101 -1.329) 4.311 ======================= Grid point 156 (59/105) ======================= q-point: ( 0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 0.166 8.837 -1.432) 8.954 1.855 ( -0.084 7.175 0.277) 7.181 1.956 ( 2.291 5.815 1.870) 6.524 2.039 ( 0.989 5.551 -0.349) 5.649 2.131 ( -5.076 1.122 3.924) 6.514 2.150 ( -4.459 -0.600 -1.500) 4.743 2.289 ( 3.234 -2.101 -2.858) 4.800 2.344 ( 2.184 -0.838 -1.754) 2.923 2.458 ( 1.616 -0.356 1.177) 2.031 2.563 ( -2.488 0.659 -2.953) 3.917 2.633 ( 1.370 -1.743 0.637) 2.306 2.680 ( -0.571 -1.382 -0.153) 1.503 2.959 ( 2.071 -0.052 -1.790) 2.737 2.976 ( 1.068 0.718 1.178) 1.745 3.015 ( -0.155 0.989 1.185) 1.552 3.076 ( -1.311 -0.532 1.382) 1.978 3.233 ( 2.199 -0.183 -2.646) 3.445 3.307 ( 0.295 -2.104 0.020) 2.124 3.471 ( -3.099 -2.927 -5.702) 7.119 3.545 ( -5.529 -6.694 -1.105) 8.752 4.032 ( 5.694 12.022 2.516) 13.538 4.108 ( 4.983 8.003 0.754) 9.458 4.295 ( -3.255 9.849 1.969) 10.558 4.334 ( -2.483 8.449 2.106) 9.055 6.526 ( 1.484 1.898 0.959) 2.593 6.614 ( -2.238 2.844 -0.943) 3.740 6.635 ( 1.719 -2.192 -2.894) 4.016 6.722 ( -1.686 -1.003 -4.069) 4.517 6.960 ( 2.402 3.040 -1.385) 4.115 7.071 ( -2.849 0.603 0.182) 2.918 7.161 ( 1.474 -2.505 -0.514) 2.952 7.208 ( -0.707 -4.132 0.020) 4.192 7.550 ( 1.822 5.008 -3.532) 6.393 7.616 ( -0.280 3.835 -3.160) 4.977 7.822 ( -1.562 -0.926 -2.454) 3.053 7.824 ( -1.136 -0.525 -2.609) 2.894 8.128 ( 1.403 9.712 -0.890) 9.853 8.152 ( 1.382 9.233 -1.228) 9.416 8.464 ( 3.317 2.853 3.843) 5.823 8.643 ( -3.565 -2.255 0.334) 4.232 9.063 ( 0.360 2.388 -1.518) 2.852 9.086 ( 0.620 3.980 -1.967) 4.483 9.256 ( -1.859 -0.340 -0.118) 1.893 9.304 ( -1.646 0.865 -0.925) 2.076 9.920 ( 1.446 -0.490 1.434) 2.095 9.986 ( -1.293 0.383 1.747) 2.207 10.052 ( 2.619 -4.316 -1.055) 5.158 10.133 ( -1.107 -4.126 -1.318) 4.470 ======================= Grid point 157 (60/105) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -0.345 8.088 -0.706) 8.126 1.850 ( 0.345 8.088 -0.706) 8.126 2.020 ( -4.133 5.774 3.774) 8.041 2.020 ( 4.133 5.774 3.774) 8.041 2.086 ( -2.183 0.097 -1.258) 2.522 2.086 ( 2.183 0.097 -1.258) 2.522 2.340 ( -1.931 -1.520 -3.192) 4.029 2.340 ( 1.931 -1.520 -3.192) 4.029 2.509 ( -3.102 0.743 -0.868) 3.305 2.509 ( 3.102 0.743 -0.868) 3.305 2.661 ( -1.435 -1.791 0.558) 2.361 2.661 ( 1.435 -1.791 0.558) 2.361 2.985 ( -0.712 1.101 0.709) 1.491 2.985 ( 0.712 1.101 0.709) 1.491 3.038 ( -2.446 -0.568 0.624) 2.588 3.038 ( 2.446 -0.568 0.624) 2.588 3.286 ( -2.761 -0.599 -0.905) 2.966 3.286 ( 2.761 -0.599 -0.905) 2.966 3.457 ( -2.557 -5.232 -4.238) 7.202 3.457 ( 2.557 -5.232 -4.238) 7.202 4.139 ( -3.862 11.192 2.414) 12.083 4.139 ( 3.862 11.192 2.414) 12.083 4.273 ( -2.746 7.655 1.520) 8.274 4.273 ( 2.746 7.655 1.520) 8.274 6.565 ( -2.512 2.494 0.057) 3.540 6.565 ( 2.512 2.494 0.057) 3.540 6.679 ( -2.598 -1.688 -3.379) 4.585 6.679 ( 2.598 -1.688 -3.379) 4.585 7.014 ( -3.064 1.805 -0.937) 3.678 7.014 ( 3.064 1.805 -0.937) 3.678 7.188 ( -1.296 -3.455 -0.083) 3.691 7.188 ( 1.296 -3.455 -0.083) 3.691 7.592 ( -2.178 5.095 -3.706) 6.667 7.592 ( 2.178 5.095 -3.706) 6.667 7.807 ( -0.277 -1.191 -2.234) 2.547 7.807 ( 0.277 -1.191 -2.234) 2.547 8.156 ( -0.984 9.594 -0.654) 9.666 8.156 ( 0.984 9.594 -0.654) 9.666 8.552 ( -5.428 0.412 1.829) 5.742 8.552 ( 5.428 0.412 1.829) 5.742 9.079 ( -1.055 4.084 -1.377) 4.437 9.079 ( 1.055 4.084 -1.377) 4.437 9.260 ( -2.106 -1.300 -1.008) 2.672 9.260 ( 2.106 -1.300 -1.008) 2.672 9.955 ( -1.927 0.248 1.692) 2.577 9.955 ( 1.927 0.248 1.692) 2.577 10.101 ( -2.269 -4.210 -1.247) 4.942 10.101 ( 2.269 -4.210 -1.247) 4.942 ======================= Grid point 160 (61/105) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 0.000 5.788 -1.044) 5.882 1.991 ( 0.000 5.723 -1.617) 5.947 2.033 ( 0.000 2.824 -1.263) 3.094 2.074 ( 0.000 -1.926 -0.445) 1.977 2.151 ( 0.000 -2.912 0.037) 2.913 2.167 ( 0.000 -2.985 -0.456) 3.020 2.280 ( 0.000 1.506 1.795) 2.342 2.289 ( 0.000 1.751 -0.707) 1.888 2.445 ( 0.000 2.047 2.244) 3.038 2.536 ( 0.000 -5.352 1.501) 5.559 2.626 ( 0.000 1.832 -2.950) 3.473 2.658 ( 0.000 -1.391 -1.065) 1.752 2.942 ( 0.000 0.797 -1.819) 1.986 2.960 ( 0.000 -0.817 -0.019) 0.818 3.045 ( 0.000 1.282 0.909) 1.572 3.069 ( 0.000 -1.179 1.135) 1.637 3.231 ( 0.000 1.937 -3.301) 3.827 3.269 ( 0.000 -1.507 -1.889) 2.416 3.455 ( 0.000 -1.439 -3.621) 3.897 3.486 ( 0.000 -4.478 -1.111) 4.614 4.154 ( 0.000 5.383 1.866) 5.698 4.172 ( 0.000 3.401 0.963) 3.535 4.472 ( 0.000 3.898 1.820) 4.301 4.480 ( 0.000 3.038 2.232) 3.770 6.541 ( 0.000 1.466 0.391) 1.518 6.573 ( 0.000 -1.799 -0.972) 2.044 6.692 ( 0.000 2.105 -2.862) 3.553 6.723 ( 0.000 -1.024 -3.878) 4.011 7.015 ( 0.000 4.274 -1.646) 4.580 7.095 ( 0.000 -3.275 -1.386) 3.557 7.109 ( 0.000 0.520 0.879) 1.021 7.137 ( 0.000 -2.681 -0.277) 2.695 7.613 ( 0.000 3.183 -3.224) 4.531 7.647 ( 0.000 0.018 -2.607) 2.607 7.826 ( 0.000 -0.496 -5.214) 5.238 7.828 ( 0.000 -0.510 -4.670) 4.698 8.276 ( 0.000 6.436 -0.221) 6.440 8.302 ( 0.000 5.832 -0.697) 5.874 8.464 ( 0.000 1.013 2.289) 2.503 8.563 ( 0.000 -7.149 0.310) 7.156 9.080 ( 0.000 0.219 -0.369) 0.429 9.086 ( 0.000 -0.100 -0.078) 0.127 9.334 ( 0.000 1.337 -0.095) 1.340 9.342 ( 0.000 0.945 0.512) 1.075 9.905 ( 0.000 0.716 0.341) 0.793 9.939 ( 0.000 -2.887 -0.502) 2.930 10.028 ( 0.000 1.838 0.725) 1.976 10.075 ( 0.000 -2.858 -0.388) 2.884 ======================= Grid point 161 (62/105) ======================= q-point: ( 0.25 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -0.261 5.337 -1.179) 5.472 1.985 ( -0.521 5.137 -1.521) 5.382 2.036 ( 0.426 0.586 -0.268) 0.772 2.066 ( -0.817 -2.593 -0.943) 2.877 2.133 ( 0.100 2.350 0.674) 2.447 2.213 ( -0.351 1.115 0.628) 1.327 2.226 ( 0.119 -0.118 0.022) 0.168 2.311 ( -0.397 -3.107 -1.067) 3.309 2.477 ( 3.207 2.761 1.664) 4.547 2.553 ( 1.583 -3.616 0.935) 4.057 2.608 ( -1.680 1.211 -2.260) 3.066 2.643 ( -1.484 -1.939 -0.667) 2.531 2.964 ( 2.105 0.555 -1.241) 2.506 2.977 ( 1.695 -0.520 0.214) 1.786 3.035 ( -1.005 1.121 0.830) 1.719 3.058 ( -1.281 -1.114 0.974) 1.957 3.249 ( 1.925 1.746 -3.203) 4.125 3.281 ( 1.299 -1.043 -1.865) 2.501 3.410 ( -4.000 -1.846 -3.824) 5.834 3.434 ( -4.607 -4.010 -1.707) 6.342 4.212 ( 5.457 5.416 1.943) 7.930 4.232 ( 5.533 3.286 1.211) 6.548 4.435 ( -3.717 3.957 1.952) 5.770 4.448 ( -3.387 2.665 1.998) 4.751 6.561 ( 1.960 1.660 0.032) 2.569 6.594 ( 2.138 -1.786 -1.269) 3.062 6.666 ( -2.514 2.201 -2.177) 3.988 6.700 ( -2.242 -1.304 -3.319) 4.213 7.028 ( 1.283 3.721 -1.633) 4.261 7.091 ( -1.412 1.329 -0.403) 1.981 7.103 ( 0.556 -3.382 -0.617) 3.483 7.134 ( -0.482 -2.960 -0.491) 3.039 7.638 ( 2.415 3.543 -3.543) 5.563 7.669 ( 2.002 0.882 -2.999) 3.712 7.796 ( -2.766 -0.823 -4.694) 5.510 7.804 ( -2.275 -1.222 -4.303) 5.018 8.301 ( 2.291 7.292 -0.031) 7.643 8.331 ( 2.169 7.054 -0.658) 7.409 8.462 ( 0.211 -1.452 1.975) 2.461 8.543 ( -2.049 -6.875 0.353) 7.182 9.096 ( 2.057 1.468 -0.024) 2.528 9.119 ( 3.002 -0.329 -0.388) 3.045 9.272 ( -4.958 1.789 0.359) 5.284 9.306 ( -4.060 -1.033 -0.095) 4.190 9.929 ( 2.365 1.351 0.435) 2.759 9.971 ( 2.711 -2.675 -0.503) 3.842 10.017 ( -1.141 1.574 0.704) 2.068 10.064 ( -1.221 -2.930 -0.395) 3.198 ======================= Grid point 162 (63/105) ======================= q-point: (-0.50 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -0.166 4.817 -1.153) 4.956 1.977 ( 0.166 4.817 -1.153) 4.956 2.049 ( -0.860 -2.447 -0.497) 2.641 2.049 ( 0.860 -2.447 -0.497) 2.641 2.159 ( -2.477 6.671 1.170) 7.212 2.159 ( 2.477 6.671 1.170) 7.212 2.279 ( -2.627 -4.845 -1.091) 5.618 2.279 ( 2.627 -4.845 -1.091) 5.618 2.545 ( -3.171 2.712 -0.563) 4.211 2.545 ( 3.171 2.712 -0.563) 4.211 2.606 ( -2.050 -3.234 0.129) 3.831 2.606 ( 2.050 -3.234 0.129) 3.831 3.004 ( -1.557 0.888 0.242) 1.809 3.004 ( 1.557 0.888 0.242) 1.809 3.022 ( -2.089 -0.889 0.473) 2.320 3.022 ( 2.089 -0.889 0.473) 2.320 3.296 ( -1.785 1.863 -2.216) 3.401 3.296 ( 1.785 1.863 -2.216) 3.401 3.359 ( -1.437 -4.338 -3.445) 5.722 3.359 ( 1.437 -4.338 -3.445) 5.722 4.318 ( -2.550 6.190 1.940) 6.971 4.318 ( 2.550 6.190 1.940) 6.971 4.368 ( -2.327 1.335 1.713) 3.183 4.368 ( 2.327 1.335 1.713) 3.183 6.610 ( -3.049 2.053 -0.927) 3.791 6.610 ( 3.049 2.053 -0.927) 3.791 6.647 ( -3.114 -1.672 -2.165) 4.145 6.647 ( 3.114 -1.672 -2.165) 4.145 7.058 ( -1.786 2.679 -1.132) 3.412 7.058 ( 1.786 2.679 -1.132) 3.412 7.119 ( -0.951 -3.373 -0.771) 3.589 7.119 ( 0.951 -3.373 -0.771) 3.589 7.687 ( -1.612 4.390 -4.088) 6.211 7.687 ( 1.612 4.390 -4.088) 6.211 7.763 ( -0.938 -3.121 -3.623) 4.873 7.763 ( 0.938 -3.121 -3.623) 4.873 8.342 ( -1.367 8.829 0.021) 8.935 8.342 ( 1.367 8.829 0.021) 8.935 8.492 ( -2.814 -5.866 0.801) 6.555 8.492 ( 2.814 -5.866 0.801) 6.555 9.153 ( -2.799 3.630 -0.017) 4.584 9.153 ( 2.799 3.630 -0.017) 4.584 9.220 ( -3.212 -2.868 -0.106) 4.308 9.220 ( 3.212 -2.868 -0.106) 4.308 9.978 ( -2.312 1.948 0.500) 3.065 9.978 ( 2.312 1.948 0.500) 3.065 10.028 ( -2.383 -3.096 -0.357) 3.923 10.028 ( 2.383 -3.096 -0.357) 3.923 ======================= Grid point 195 (64/105) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.000 0.000 10.334) 10.334 1.146 ( 0.000 0.000 1.953) 1.953 1.264 ( 0.000 0.000 2.944) 2.944 1.504 ( 0.000 0.000 12.762) 12.762 1.744 ( 0.000 0.000 -2.050) 2.050 1.971 ( 0.000 0.000 5.831) 5.831 1.973 ( 0.000 0.000 0.377) 0.377 2.011 ( 0.000 0.000 -1.550) 1.550 2.125 ( 0.000 0.000 -8.523) 8.523 2.321 ( 0.000 0.000 -2.618) 2.618 2.323 ( 0.000 0.000 -2.697) 2.697 2.553 ( 0.000 0.000 4.697) 4.697 2.708 ( 0.000 0.000 10.974) 10.974 2.808 ( 0.000 0.000 2.290) 2.290 2.900 ( 0.000 0.000 1.845) 1.845 2.910 ( 0.000 0.000 1.404) 1.404 2.922 ( 0.000 0.000 3.661) 3.661 3.265 ( 0.000 0.000 2.774) 2.774 3.314 ( 0.000 0.000 1.413) 1.413 3.604 ( 0.000 0.000 4.586) 4.586 3.662 ( 0.000 0.000 5.305) 5.305 3.801 ( 0.000 0.000 -8.056) 8.056 4.072 ( 0.000 0.000 -9.651) 9.651 4.207 ( 0.000 0.000 -5.246) 5.246 6.406 ( 0.000 0.000 -0.150) 0.150 6.530 ( 0.000 0.000 -2.602) 2.602 6.571 ( 0.000 0.000 7.929) 7.929 6.677 ( 0.000 0.000 4.124) 4.124 6.820 ( 0.000 0.000 0.379) 0.379 6.921 ( 0.000 0.000 -2.461) 2.461 6.933 ( 0.000 0.000 -0.459) 0.459 7.008 ( 0.000 0.000 -4.805) 4.805 7.231 ( 0.000 0.000 -3.911) 3.911 7.234 ( 0.000 0.000 -0.491) 0.491 7.251 ( 0.000 0.000 -4.517) 4.517 7.256 ( 0.000 0.000 -0.871) 0.871 7.548 ( 0.000 0.000 1.139) 1.139 7.570 ( 0.000 0.000 0.326) 0.326 7.959 ( 0.000 0.000 7.375) 7.375 7.977 ( 0.000 0.000 1.894) 1.894 7.979 ( 0.000 0.000 1.899) 1.899 8.259 ( 0.000 0.000 -8.660) 8.660 9.481 ( 0.000 0.000 -1.676) 1.676 9.520 ( 0.000 0.000 -2.897) 2.897 10.276 ( 0.000 0.000 2.164) 2.164 10.345 ( 0.000 0.000 1.450) 1.450 10.362 ( 0.000 0.000 -3.088) 3.088 10.549 ( 0.000 0.000 -8.990) 8.990 ======================= Grid point 196 (65/105) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 2.464 0.000 9.023) 9.353 1.123 ( -2.356 0.000 3.128) 3.916 1.288 ( 2.900 0.000 6.461) 7.082 1.494 ( -2.536 0.000 18.904) 19.074 1.678 ( -3.435 0.000 -7.975) 8.683 1.852 ( -8.278 0.000 -0.079) 8.278 1.979 ( 0.626 0.000 0.027) 0.626 2.006 ( -0.498 0.000 -1.324) 1.415 2.256 ( 9.492 0.000 -5.731) 11.088 2.321 ( 0.022 0.000 -2.625) 2.625 2.322 ( -0.021 0.000 -2.681) 2.682 2.562 ( -2.492 0.000 -10.435) 10.728 2.706 ( 1.729 0.000 19.003) 19.081 2.796 ( -1.101 0.000 3.185) 3.369 2.901 ( 0.133 0.000 1.779) 1.783 2.908 ( -0.148 0.000 1.466) 1.474 2.991 ( 7.059 0.000 9.130) 11.541 3.274 ( 0.525 0.000 2.355) 2.413 3.310 ( -0.491 0.000 2.300) 2.352 3.407 ( -11.595 0.000 9.368) 14.906 3.799 ( 6.482 0.000 -2.644) 7.001 3.900 ( 8.972 0.000 -6.440) 11.044 4.031 ( -4.162 0.000 -8.475) 9.442 4.172 ( -3.728 0.000 -5.169) 6.373 6.416 ( 1.121 0.000 -0.188) 1.137 6.502 ( -2.568 0.000 -1.645) 3.050 6.585 ( 1.346 0.000 7.527) 7.646 6.658 ( -1.776 0.000 4.927) 5.237 6.830 ( 1.152 0.000 -0.965) 1.503 6.906 ( -1.656 0.000 -3.025) 3.448 6.947 ( 1.332 0.000 -1.321) 1.875 6.999 ( -0.898 0.000 -4.299) 4.392 7.233 ( 0.294 0.000 -4.024) 4.035 7.239 ( 2.043 0.000 1.679) 2.645 7.248 ( -0.313 0.000 -4.453) 4.464 7.304 ( 2.513 0.000 -0.197) 2.521 7.514 ( -3.432 0.000 1.689) 3.825 7.534 ( -2.155 0.000 0.483) 2.208 7.977 ( 0.033 0.000 1.899) 1.899 7.979 ( -0.019 0.000 1.900) 1.900 8.028 ( 6.015 0.000 3.399) 6.909 8.229 ( -3.088 0.000 -6.899) 7.558 9.490 ( 0.840 0.000 -1.747) 1.939 9.517 ( -0.323 0.000 -2.591) 2.611 10.276 ( 0.311 0.000 2.117) 2.140 10.326 ( -1.637 0.000 0.518) 1.717 10.398 ( 3.207 0.000 -3.456) 4.715 10.527 ( -2.320 0.000 -8.343) 8.660 ======================= Grid point 197 (66/105) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -3.389 0.000 6.008) 6.898 1.065 ( 3.389 0.000 6.008) 6.898 1.383 ( -6.887 0.000 14.465) 16.021 1.383 ( 6.887 0.000 14.465) 16.021 1.711 ( -5.790 0.000 -5.321) 7.863 1.711 ( 5.790 0.000 -5.321) 7.863 1.994 ( -0.787 0.000 -0.710) 1.060 1.994 ( 0.787 0.000 -0.710) 1.060 2.322 ( -0.030 0.000 -2.648) 2.649 2.322 ( 0.030 0.000 -2.648) 2.649 2.436 ( -8.995 0.000 -9.153) 12.833 2.436 ( 8.995 0.000 -9.153) 12.833 2.762 ( -2.689 0.000 9.737) 10.101 2.762 ( 2.689 0.000 9.737) 10.101 2.905 ( -0.199 0.000 1.621) 1.633 2.905 ( 0.199 0.000 1.621) 1.633 3.170 ( -10.846 0.000 11.598) 15.879 3.170 ( 10.846 0.000 11.598) 15.879 3.302 ( -0.773 0.000 3.230) 3.321 3.302 ( 0.773 0.000 3.230) 3.321 3.923 ( -6.468 0.000 -8.332) 10.547 3.923 ( 6.468 0.000 -8.332) 10.547 4.066 ( -7.384 0.000 -4.299) 8.544 4.066 ( 7.384 0.000 -4.299) 8.544 6.450 ( -2.455 0.000 -0.541) 2.514 6.450 ( 2.455 0.000 -0.541) 2.514 6.619 ( -2.129 0.000 6.403) 6.748 6.619 ( 2.129 0.000 6.403) 6.748 6.865 ( -2.336 0.000 -2.705) 3.574 6.865 ( 2.336 0.000 -2.705) 3.574 6.976 ( -1.502 0.000 -2.964) 3.323 6.976 ( 1.502 0.000 -2.964) 3.323 7.241 ( -0.433 0.000 -4.263) 4.285 7.241 ( 0.433 0.000 -4.263) 4.285 7.298 ( -3.058 0.000 2.805) 4.150 7.298 ( 3.058 0.000 2.805) 4.150 7.492 ( -1.551 0.000 0.196) 1.564 7.492 ( 1.551 0.000 0.196) 1.564 7.978 ( -0.039 0.000 1.902) 1.903 7.978 ( 0.039 0.000 1.902) 1.903 8.145 ( -5.648 0.000 -2.419) 6.144 8.145 ( 5.648 0.000 -2.419) 6.144 9.506 ( -0.805 0.000 -2.046) 2.199 9.506 ( 0.805 0.000 -2.046) 2.199 10.293 ( -1.494 0.000 1.360) 2.020 10.293 ( 1.494 0.000 1.360) 2.020 10.467 ( -3.685 0.000 -6.293) 7.293 10.467 ( 3.685 0.000 -6.293) 7.293 ======================= Grid point 200 (67/105) ======================= q-point: ( 0.00 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 0.000 18.985 9.191) 21.093 1.331 ( 0.000 8.582 1.668) 8.743 1.368 ( 0.000 13.956 5.270) 14.918 1.517 ( 0.000 6.023 7.239) 9.417 1.735 ( 0.000 0.546 -1.114) 1.241 1.955 ( 0.000 -0.383 -1.976) 2.013 1.979 ( 0.000 1.587 3.115) 3.496 2.165 ( 0.000 12.783 0.840) 12.811 2.186 ( 0.000 2.285 -5.135) 5.621 2.319 ( 0.000 2.470 0.110) 2.473 2.350 ( 0.000 2.401 -2.753) 3.653 2.570 ( 0.000 -0.187 -5.156) 5.159 2.723 ( 0.000 2.896 16.476) 16.729 2.814 ( 0.000 0.764 2.231) 2.358 2.920 ( 0.000 1.863 1.922) 2.676 2.927 ( 0.000 1.967 0.321) 1.993 2.981 ( 0.000 5.122 4.573) 6.866 3.262 ( 0.000 -0.245 2.886) 2.896 3.324 ( 0.000 1.159 0.511) 1.267 3.610 ( 0.000 0.788 5.054) 5.115 3.665 ( 0.000 0.021 4.884) 4.884 3.786 ( 0.000 -0.992 -6.534) 6.608 4.042 ( 0.000 -2.909 -9.868) 10.288 4.179 ( 0.000 -2.833 -5.245) 5.961 6.394 ( 0.000 0.039 1.705) 1.705 6.521 ( 0.000 -0.530 -1.706) 1.786 6.708 ( 0.000 9.561 4.459) 10.550 6.760 ( 0.000 -3.523 -1.823) 3.967 6.833 ( 0.000 -2.468 -1.841) 3.079 6.836 ( 0.000 14.535 2.390) 14.730 7.056 ( 0.000 5.323 1.819) 5.625 7.157 ( 0.000 8.967 -2.459) 9.298 7.197 ( 0.000 -1.360 -1.708) 2.184 7.240 ( 0.000 0.745 -2.484) 2.594 7.313 ( 0.000 7.616 -2.372) 7.977 7.365 ( 0.000 8.860 -3.419) 9.497 7.565 ( 0.000 2.605 1.789) 3.160 7.633 ( 0.000 7.760 -1.624) 7.928 7.891 ( 0.000 -2.898 4.089) 5.012 7.974 ( 0.000 -0.461 0.064) 0.466 8.101 ( 0.000 8.603 4.305) 9.620 8.308 ( 0.000 5.187 -7.303) 8.958 9.451 ( 0.000 -2.815 -1.903) 3.398 9.484 ( 0.000 -3.493 -2.887) 4.532 10.241 ( 0.000 -3.261 2.242) 3.957 10.308 ( 0.000 -3.473 2.393) 4.217 10.336 ( 0.000 -2.522 -3.188) 4.065 10.508 ( 0.000 -3.980 -8.132) 9.054 ======================= Grid point 201 (68/105) ======================= q-point: ( 0.25 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 1.796 15.733 9.273) 18.350 1.308 ( -0.692 12.956 4.222) 13.644 1.399 ( 1.353 13.191 4.733) 14.080 1.494 ( -2.845 4.956 12.853) 14.067 1.687 ( -2.330 1.565 -5.543) 6.213 1.836 ( -7.007 0.591 -2.823) 7.577 2.060 ( 3.258 4.985 1.635) 6.175 2.137 ( -1.682 10.145 0.448) 10.293 2.251 ( 4.927 0.772 -3.751) 6.240 2.333 ( 0.331 2.362 -1.654) 2.902 2.359 ( 1.908 2.736 -3.687) 4.972 2.544 ( -3.490 -1.730 -9.355) 10.134 2.740 ( 1.947 3.468 15.498) 16.000 2.805 ( -0.926 1.193 2.783) 3.167 2.924 ( 0.383 2.118 1.639) 2.706 2.936 ( 0.277 2.249 1.046) 2.496 3.029 ( 5.802 3.927 9.082) 11.470 3.272 ( 0.661 -0.106 2.484) 2.573 3.319 ( -0.485 1.011 1.277) 1.699 3.416 ( -11.257 1.136 9.458) 14.747 3.805 ( 5.608 0.696 -2.046) 6.010 3.875 ( 9.030 -2.468 -4.679) 10.466 4.005 ( -3.703 -2.392 -9.244) 10.241 4.144 ( -3.710 -2.800 -5.127) 6.921 6.406 ( 1.294 0.043 1.384) 1.895 6.494 ( -2.505 -0.337 -0.818) 2.657 6.719 ( 1.040 8.489 4.138) 9.501 6.767 ( 0.129 -1.520 -1.472) 2.119 6.808 ( -0.544 6.832 1.173) 6.953 6.850 ( -0.121 4.855 -1.013) 4.961 7.048 ( -0.127 3.820 0.169) 3.826 7.115 ( -3.127 5.672 -3.011) 7.143 7.230 ( 2.851 0.947 -0.501) 3.046 7.271 ( 1.243 3.144 -2.875) 4.438 7.328 ( 2.068 8.934 -1.222) 9.251 7.393 ( 2.680 8.488 -2.137) 9.154 7.538 ( -3.258 2.961 1.584) 4.679 7.562 ( -5.055 4.960 0.484) 7.098 7.931 ( 2.619 -2.140 1.298) 3.622 7.973 ( -0.211 -0.571 0.124) 0.621 8.134 ( 3.431 8.302 2.756) 9.396 8.283 ( -2.603 5.564 -5.729) 8.400 9.459 ( 0.699 -2.962 -1.941) 3.610 9.482 ( -0.249 -3.422 -2.633) 4.325 10.243 ( 0.393 -3.119 2.225) 3.851 10.289 ( -1.513 -3.392 1.251) 3.919 10.370 ( 2.942 -2.783 -3.282) 5.212 10.487 ( -2.116 -3.787 -7.539) 8.698 ======================= Grid point 202 (69/105) ======================= q-point: (-0.50 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -1.334 14.228 6.881) 15.861 1.299 ( 1.334 14.228 6.881) 15.861 1.424 ( -2.653 9.011 11.336) 14.722 1.424 ( 2.653 9.011 11.336) 14.722 1.717 ( -4.860 1.753 -6.275) 8.129 1.717 ( 4.860 1.753 -6.275) 8.129 2.105 ( -1.832 8.548 1.016) 8.801 2.105 ( 1.832 8.548 1.016) 8.801 2.319 ( -1.799 0.444 -2.176) 2.858 2.319 ( 1.799 0.444 -2.176) 2.858 2.442 ( -6.175 0.484 -8.259) 10.324 2.442 ( 6.175 0.484 -8.259) 10.324 2.780 ( -1.759 2.012 7.897) 8.337 2.780 ( 1.759 2.012 7.897) 8.337 2.933 ( -0.436 2.482 1.308) 2.840 2.933 ( 0.436 2.482 1.308) 2.840 3.188 ( -9.924 1.918 10.778) 14.776 3.188 ( 9.924 1.918 10.778) 14.776 3.307 ( -0.470 0.780 3.505) 3.621 3.307 ( 0.470 0.780 3.505) 3.621 3.912 ( -5.688 -1.061 -7.172) 9.215 3.912 ( 5.688 -1.061 -7.172) 9.215 4.038 ( -7.344 -2.630 -4.560) 9.036 4.038 ( 7.344 -2.630 -4.560) 9.036 6.443 ( -2.491 -0.056 0.496) 2.540 6.443 ( 2.491 -0.056 0.496) 2.540 6.745 ( -1.684 5.851 2.663) 6.646 6.745 ( 1.684 5.851 2.663) 6.646 6.829 ( -1.765 3.629 -1.396) 4.270 6.829 ( 1.765 3.629 -1.396) 4.270 7.065 ( -1.903 3.925 -1.804) 4.720 7.065 ( 1.903 3.925 -1.804) 4.720 7.270 ( -1.156 2.910 -2.451) 3.976 7.270 ( 1.156 2.910 -2.451) 3.976 7.399 ( -4.168 11.628 1.329) 12.424 7.399 ( 4.168 11.628 1.329) 12.424 7.495 ( -2.256 0.618 0.007) 2.339 7.495 ( 2.256 0.618 0.007) 2.339 7.963 ( -0.915 -1.099 0.257) 1.453 7.963 ( 0.915 -1.099 0.257) 1.453 8.214 ( -4.379 6.760 -1.714) 8.235 8.214 ( 4.379 6.760 -1.714) 8.235 9.473 ( -0.672 -3.229 -2.175) 3.951 9.473 ( 0.672 -3.229 -2.175) 3.951 10.260 ( -1.368 -3.153 1.683) 3.827 10.260 ( 1.368 -3.153 1.683) 3.827 10.433 ( -3.375 -3.309 -5.685) 7.393 10.433 ( 3.375 -3.309 -5.685) 7.393 ======================= Grid point 205 (70/105) ======================= q-point: ( 0.00 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 0.000 9.453 2.296) 9.728 1.463 ( 0.000 2.837 11.285) 11.636 1.669 ( 0.000 15.661 7.054) 17.176 1.698 ( 0.000 3.174 -3.153) 4.474 1.889 ( 0.000 11.477 3.119) 11.893 1.949 ( 0.000 -1.295 -0.373) 1.348 2.097 ( 0.000 13.539 -1.145) 13.587 2.229 ( 0.000 4.773 -5.610) 7.366 2.388 ( 0.000 1.319 -2.596) 2.912 2.417 ( 0.000 5.116 -1.085) 5.230 2.429 ( 0.000 11.435 0.144) 11.436 2.523 ( 0.000 -3.530 -3.688) 5.105 2.832 ( 0.000 6.861 11.119) 13.066 2.853 ( 0.000 3.534 2.474) 4.314 2.963 ( 0.000 2.016 1.937) 2.796 2.987 ( 0.000 3.894 0.564) 3.934 3.098 ( 0.000 6.230 5.614) 8.386 3.266 ( 0.000 1.086 2.916) 3.111 3.368 ( 0.000 3.472 -1.741) 3.884 3.629 ( 0.000 -4.063 1.565) 4.354 3.653 ( 0.000 4.226 5.447) 6.894 3.807 ( 0.000 3.937 -0.262) 3.945 3.966 ( 0.000 -4.280 -10.272) 11.128 4.099 ( 0.000 -4.985 -4.921) 7.005 6.415 ( 0.000 1.858 1.919) 2.671 6.518 ( 0.000 0.291 -0.655) 0.716 6.698 ( 0.000 -2.788 -2.851) 3.987 6.744 ( 0.000 -2.363 -2.497) 3.438 6.895 ( 0.000 3.401 5.019) 6.063 7.122 ( 0.000 6.104 -4.367) 7.506 7.137 ( 0.000 2.639 2.440) 3.594 7.200 ( 0.000 4.426 1.114) 4.564 7.282 ( 0.000 8.018 -2.208) 8.317 7.303 ( 0.000 6.155 -1.997) 6.471 7.462 ( 0.000 4.114 1.167) 4.277 7.523 ( 0.000 6.759 -1.329) 6.889 7.745 ( 0.000 14.023 3.525) 14.459 7.861 ( 0.000 1.998 2.188) 2.963 7.934 ( 0.000 20.392 -4.125) 20.805 7.953 ( 0.000 -1.246 -3.736) 3.938 8.325 ( 0.000 14.029 3.089) 14.365 8.468 ( 0.000 10.612 -5.132) 11.788 9.379 ( 0.000 -4.165 -2.349) 4.782 9.394 ( 0.000 -5.096 -2.780) 5.805 10.163 ( 0.000 -4.190 2.649) 4.957 10.220 ( 0.000 -5.063 3.413) 6.106 10.268 ( 0.000 -4.145 -3.142) 5.201 10.405 ( 0.000 -5.998 -6.291) 8.692 ======================= Grid point 206 (71/105) ======================= q-point: ( 0.25 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -1.253 6.245 9.234) 11.218 1.496 ( -1.731 5.341 8.369) 10.078 1.654 ( 1.185 7.956 0.336) 8.051 1.717 ( 0.846 10.721 0.006) 10.754 1.853 ( -1.579 9.340 -0.055) 9.473 1.929 ( -3.482 10.617 1.838) 11.324 2.143 ( 4.867 5.619 -1.017) 7.503 2.254 ( 1.483 5.482 -4.513) 7.253 2.371 ( -1.312 0.783 -3.135) 3.488 2.388 ( -2.477 7.372 -1.183) 7.867 2.448 ( 1.349 6.063 -0.693) 6.250 2.508 ( -1.476 -0.928 -3.135) 3.587 2.837 ( 0.444 5.766 8.280) 10.100 2.852 ( -0.150 3.785 2.668) 4.633 2.974 ( 0.946 2.522 1.350) 3.014 2.993 ( 0.346 3.468 0.870) 3.592 3.131 ( 3.805 5.672 7.922) 10.460 3.280 ( 0.897 1.308 2.528) 2.985 3.356 ( -1.200 2.960 0.178) 3.199 3.465 ( -8.364 3.844 6.573) 11.311 3.813 ( 7.379 -3.015 -1.202) 8.061 3.834 ( 3.266 2.298 0.814) 4.076 3.948 ( -1.664 -2.775 -10.471) 10.960 4.068 ( -3.289 -4.546 -4.802) 7.386 6.425 ( 1.064 1.685 1.703) 2.621 6.496 ( -1.999 0.615 0.002) 2.092 6.707 ( 0.820 -2.707 -2.745) 3.942 6.739 ( -0.534 -2.410 -2.583) 3.573 6.922 ( 2.703 3.416 4.229) 6.071 7.068 ( -4.201 1.128 1.332) 4.549 7.141 ( 0.975 11.257 -2.870) 11.658 7.217 ( -2.440 5.430 -3.179) 6.749 7.261 ( 2.989 4.262 1.569) 5.437 7.341 ( 0.750 4.052 -1.318) 4.327 7.476 ( 1.794 3.689 0.812) 4.182 7.527 ( 0.214 5.559 -1.244) 5.701 7.740 ( -0.240 16.129 3.418) 16.489 7.812 ( -3.804 13.442 2.070) 14.123 7.948 ( 0.720 8.050 -2.552) 8.476 7.955 ( 0.167 0.304 -3.875) 3.891 8.351 ( 2.490 13.494 1.359) 13.789 8.451 ( -1.763 11.016 -4.218) 11.927 9.382 ( 0.361 -4.373 -2.303) 4.955 9.394 ( -0.068 -4.999 -2.645) 5.656 10.167 ( 0.468 -4.181 2.649) 4.972 10.205 ( -1.218 -4.735 2.555) 5.516 10.295 ( 2.401 -4.534 -3.160) 6.025 10.389 ( -1.651 -5.755 -5.883) 8.394 ======================= Grid point 207 (72/105) ======================= q-point: (-0.50 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -3.321 5.516 10.408) 12.239 1.428 ( 3.321 5.516 10.408) 12.239 1.706 ( -2.434 8.005 -2.785) 8.818 1.706 ( 2.434 8.005 -2.785) 8.818 1.860 ( -2.548 13.489 2.132) 13.892 1.860 ( 2.548 13.489 2.132) 13.892 2.238 ( -3.849 4.552 -1.733) 6.208 2.238 ( 3.849 4.552 -1.733) 6.208 2.355 ( -0.293 2.639 -3.342) 4.269 2.355 ( 0.293 2.639 -3.342) 4.269 2.476 ( -1.636 3.471 -1.725) 4.207 2.476 ( 1.636 3.471 -1.725) 4.207 2.846 ( -0.463 4.493 4.647) 6.480 2.846 ( 0.463 4.493 4.647) 6.480 2.990 ( -0.619 3.028 0.616) 3.152 2.990 ( 0.619 3.028 0.616) 3.152 3.235 ( -5.989 2.353 7.223) 9.673 3.235 ( 5.989 2.353 7.223) 9.673 3.359 ( -2.558 5.131 3.775) 6.865 3.359 ( 2.558 5.131 3.775) 6.865 3.881 ( -2.424 -2.160 -3.130) 4.510 3.881 ( 2.424 -2.160 -3.130) 4.510 3.978 ( -5.674 -2.562 -5.666) 8.418 3.978 ( 5.674 -2.562 -5.666) 8.418 6.455 ( -2.024 1.218 1.037) 2.580 6.455 ( 2.024 1.218 1.037) 2.580 6.725 ( -0.931 -2.533 -2.646) 3.779 6.725 ( 0.931 -2.533 -2.646) 3.779 6.988 ( -4.029 2.900 2.797) 5.698 6.988 ( 4.029 2.900 2.797) 5.698 7.170 ( -2.054 9.293 -3.324) 10.081 7.170 ( 2.054 9.293 -3.324) 10.081 7.320 ( -2.500 2.021 0.460) 3.247 7.320 ( 2.500 2.021 0.460) 3.247 7.517 ( -1.643 3.211 -0.530) 3.646 7.517 ( 1.643 3.211 -0.530) 3.646 7.752 ( -1.950 18.993 3.012) 19.329 7.752 ( 1.950 18.993 3.012) 19.329 7.955 ( -0.159 1.941 -2.904) 3.496 7.955 ( 0.159 1.941 -2.904) 3.496 8.405 ( -2.873 12.157 -1.777) 12.618 8.405 ( 2.873 12.157 -1.777) 12.618 9.390 ( -0.348 -4.742 -2.382) 5.318 9.390 ( 0.348 -4.742 -2.382) 5.318 10.182 ( -1.121 -4.342 2.478) 5.124 10.182 ( 1.121 -4.342 2.478) 5.124 10.346 ( -2.699 -5.164 -4.630) 7.442 10.346 ( 2.699 -5.164 -4.630) 7.442 ======================= Grid point 210 (73/105) ======================= q-point: ( 0.00 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 5.730 7.242) 9.235 1.657 ( 0.000 9.952 -0.182) 9.954 1.762 ( 0.000 4.056 1.640) 4.375 1.865 ( 0.000 2.254 13.283) 13.473 1.944 ( 0.000 4.943 -5.286) 7.237 2.032 ( 0.000 5.549 -0.517) 5.573 2.328 ( 0.000 2.411 -10.267) 10.546 2.374 ( 0.000 -0.022 -7.464) 7.464 2.423 ( 0.000 12.243 1.723) 12.364 2.442 ( 0.000 -1.820 3.540) 3.981 2.513 ( 0.000 2.674 -0.527) 2.726 2.589 ( 0.000 4.586 -1.932) 4.976 2.943 ( 0.000 3.699 3.619) 5.175 2.948 ( 0.000 4.886 2.602) 5.536 2.984 ( 0.000 -0.123 2.314) 2.318 3.066 ( 0.000 3.371 0.598) 3.424 3.201 ( 0.000 2.860 3.840) 4.788 3.320 ( 0.000 4.017 0.714) 4.080 3.486 ( 0.000 9.856 1.474) 9.965 3.531 ( 0.000 -4.617 3.279) 5.663 3.774 ( 0.000 5.292 0.776) 5.349 3.866 ( 0.000 -2.130 -5.578) 5.971 3.964 ( 0.000 8.552 -1.569) 8.695 4.010 ( 0.000 -1.474 -1.843) 2.360 6.459 ( 0.000 2.357 1.505) 2.797 6.534 ( 0.000 1.339 -0.438) 1.409 6.646 ( 0.000 -2.452 -2.695) 3.643 6.701 ( 0.000 -1.797 -3.200) 3.670 6.914 ( 0.000 -0.260 5.029) 5.035 7.128 ( 0.000 -1.075 -3.827) 3.975 7.158 ( 0.000 0.058 1.873) 1.874 7.258 ( 0.000 0.943 -3.619) 3.740 7.423 ( 0.000 1.992 1.557) 2.528 7.431 ( 0.000 5.321 -0.459) 5.340 7.622 ( 0.000 13.051 0.763) 13.073 7.678 ( 0.000 9.214 -0.388) 9.222 7.810 ( 0.000 -0.458 0.395) 0.605 7.908 ( 0.000 -2.470 -4.680) 5.292 8.144 ( 0.000 17.180 5.911) 18.168 8.349 ( 0.000 18.777 -4.100) 19.219 8.636 ( 0.000 16.174 0.681) 16.189 8.701 ( 0.000 11.964 -3.549) 12.480 9.300 ( 0.000 -3.428 -2.420) 4.196 9.300 ( 0.000 -3.895 -2.453) 4.603 10.082 ( 0.000 -4.148 2.895) 5.058 10.122 ( 0.000 -4.176 3.394) 5.381 10.179 ( 0.000 -4.719 -2.546) 5.362 10.284 ( 0.000 -5.868 -4.631) 7.475 ======================= Grid point 211 (74/105) ======================= q-point: ( 0.25 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -0.315 7.051 7.403) 10.228 1.632 ( -3.797 7.267 3.746) 9.015 1.757 ( 2.457 5.729 -0.518) 6.255 1.904 ( -3.330 6.276 -4.979) 8.676 1.943 ( 5.653 2.690 9.927) 11.736 2.060 ( 1.500 4.529 1.261) 4.935 2.289 ( -2.840 3.754 -7.559) 8.905 2.328 ( -3.577 -2.693 -4.104) 6.073 2.429 ( 1.354 7.901 -4.276) 9.086 2.479 ( 0.444 2.225 0.831) 2.416 2.510 ( 1.028 4.065 0.572) 4.232 2.578 ( -1.093 4.241 -0.431) 4.401 2.939 ( -0.124 3.918 3.299) 5.124 2.946 ( -0.204 4.728 2.693) 5.445 3.007 ( 1.849 0.576 1.663) 2.552 3.059 ( -0.700 2.766 0.507) 2.898 3.222 ( 2.194 2.606 4.191) 5.401 3.332 ( -0.251 3.873 1.645) 4.215 3.435 ( -1.289 2.297 2.067) 3.348 3.547 ( -1.585 5.325 -0.305) 5.565 3.781 ( 2.248 -0.980 1.628) 2.944 3.897 ( 0.939 5.019 -1.535) 5.332 3.946 ( -0.619 2.105 -3.574) 4.194 4.003 ( -0.880 1.672 -2.729) 3.319 6.466 ( 0.754 2.261 1.445) 2.787 6.518 ( -1.482 1.562 0.207) 2.163 6.656 ( 0.985 -2.353 -2.749) 3.750 6.695 ( -0.622 -1.880 -3.129) 3.703 6.937 ( 2.209 -0.497 3.490) 4.160 7.060 ( -3.975 -0.802 -1.061) 4.192 7.227 ( 4.050 -0.425 -0.261) 4.080 7.275 ( 1.572 1.765 -3.113) 3.909 7.398 ( -2.168 2.339 1.446) 3.502 7.411 ( -2.011 4.976 0.109) 5.368 7.624 ( 0.417 10.798 -0.372) 10.812 7.666 ( -1.216 8.456 -1.110) 8.615 7.841 ( 2.860 0.644 0.641) 3.001 7.914 ( 0.135 -1.039 -3.057) 3.232 8.161 ( 1.971 17.699 4.606) 18.394 8.309 ( -3.883 18.797 -2.225) 19.322 8.646 ( 1.016 15.155 -0.661) 15.203 8.693 ( -0.882 12.450 -3.350) 12.923 9.300 ( 0.025 -3.608 -2.330) 4.295 9.301 ( 0.023 -3.946 -2.415) 4.627 10.086 ( 0.438 -4.044 3.001) 5.055 10.115 ( -0.721 -3.976 3.258) 5.190 10.199 ( 1.868 -4.941 -2.922) 6.036 10.272 ( -1.240 -5.707 -4.436) 7.334 ======================= Grid point 212 (75/105) ======================= q-point: (-0.50 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -2.801 7.363 6.727) 10.359 1.559 ( 2.801 7.363 6.727) 10.359 1.829 ( -4.271 5.887 -4.163) 8.380 1.829 ( 4.271 5.887 -4.163) 8.380 2.041 ( -3.872 4.675 7.006) 9.270 2.041 ( 3.872 4.675 7.006) 9.270 2.272 ( -1.601 -0.596 -6.424) 6.647 2.272 ( 1.601 -0.596 -6.424) 6.647 2.458 ( -1.602 5.724 -3.487) 6.891 2.458 ( 1.602 5.724 -3.487) 6.891 2.548 ( -2.037 3.725 1.555) 4.522 2.548 ( 2.037 3.725 1.555) 4.522 2.941 ( -0.275 4.398 2.921) 5.287 2.941 ( 0.275 4.398 2.921) 5.287 3.039 ( -1.403 1.686 0.699) 2.302 3.039 ( 1.403 1.686 0.699) 2.302 3.281 ( -3.714 2.244 4.217) 6.050 3.281 ( 3.714 2.244 4.217) 6.050 3.479 ( -4.324 4.356 -0.784) 6.187 3.479 ( 4.324 4.356 -0.784) 6.187 3.851 ( -4.137 1.210 1.866) 4.697 3.851 ( 4.137 1.210 1.866) 4.697 3.975 ( -2.061 2.899 -4.450) 5.697 3.975 ( 2.061 2.899 -4.450) 5.697 6.488 ( -1.488 1.971 1.083) 2.697 6.488 ( 1.488 1.971 1.083) 2.697 6.678 ( -1.135 -2.109 -2.934) 3.787 6.678 ( 1.135 -2.109 -2.934) 3.787 6.991 ( -3.320 -0.810 0.814) 3.513 6.991 ( 3.320 -0.810 0.814) 3.513 7.287 ( -1.533 0.599 -1.358) 2.134 7.287 ( 1.533 0.599 -1.358) 2.134 7.374 ( -0.846 4.045 0.832) 4.215 7.374 ( 0.846 4.045 0.832) 4.215 7.640 ( -1.239 8.439 -1.411) 8.645 7.640 ( 1.239 8.439 -1.411) 8.645 7.895 ( -2.234 0.883 -0.325) 2.424 7.895 ( 2.234 0.883 -0.325) 2.424 8.224 ( -4.450 18.377 1.262) 18.950 8.224 ( 4.450 18.377 1.262) 18.950 8.670 ( -1.358 13.580 -2.488) 13.873 8.670 ( 1.358 13.580 -2.488) 13.873 9.301 ( -0.052 -3.893 -2.310) 4.527 9.301 ( 0.052 -3.893 -2.310) 4.527 10.099 ( -0.869 -3.886 3.146) 5.075 10.099 ( 0.869 -3.886 3.146) 5.075 10.239 ( -2.109 -5.326 -3.800) 6.874 10.239 ( 2.109 -5.326 -3.800) 6.874 ======================= Grid point 215 (76/105) ======================= q-point: ( 0.00 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 0.000 7.209 2.986) 7.803 1.810 ( 0.000 3.595 -1.633) 3.949 1.859 ( 0.000 5.492 3.413) 6.466 1.907 ( 0.000 6.284 8.007) 10.179 2.080 ( 0.000 6.183 -4.012) 7.370 2.130 ( 0.000 3.988 -1.888) 4.412 2.296 ( 0.000 -3.508 -4.723) 5.883 2.331 ( 0.000 -2.537 -3.008) 3.935 2.455 ( 0.000 1.914 2.206) 2.920 2.543 ( 0.000 0.289 1.234) 1.268 2.606 ( 0.000 5.186 -2.967) 5.975 2.637 ( 0.000 0.808 -2.359) 2.494 2.948 ( 0.000 -2.532 2.257) 3.391 2.987 ( 0.000 1.017 1.769) 2.041 3.022 ( 0.000 2.009 2.001) 2.836 3.103 ( 0.000 0.428 -1.050) 1.133 3.204 ( 0.000 -1.453 1.139) 1.846 3.339 ( 0.000 -2.816 -3.459) 4.460 3.495 ( 0.000 -0.456 4.101) 4.126 3.717 ( 0.000 -2.004 -3.195) 3.772 3.764 ( 0.000 9.731 2.329) 10.006 3.879 ( 0.000 5.461 -2.981) 6.221 4.143 ( 0.000 11.617 2.082) 11.802 4.180 ( 0.000 11.781 0.738) 11.804 6.501 ( 0.000 1.789 1.006) 2.053 6.567 ( 0.000 1.674 -1.422) 2.197 6.605 ( 0.000 -1.513 -1.349) 2.027 6.675 ( 0.000 -0.903 -3.368) 3.487 6.913 ( 0.000 0.470 3.759) 3.788 7.105 ( 0.000 -1.101 -3.827) 3.982 7.151 ( 0.000 -0.691 1.385) 1.548 7.247 ( 0.000 -1.992 -3.927) 4.403 7.454 ( 0.000 2.074 2.670) 3.380 7.513 ( 0.000 3.427 -0.772) 3.513 7.792 ( 0.000 -0.729 -2.183) 2.302 7.819 ( 0.000 -0.230 -1.086) 1.110 7.883 ( 0.000 12.044 0.193) 12.045 7.912 ( 0.000 7.716 -3.236) 8.367 8.419 ( 0.000 9.893 6.432) 11.800 8.622 ( 0.000 7.841 -2.643) 8.274 8.911 ( 0.000 8.706 -1.929) 8.917 8.913 ( 0.000 10.506 -1.004) 10.554 9.257 ( 0.000 -0.201 -1.776) 1.787 9.260 ( 0.000 -0.091 -1.530) 1.532 9.996 ( 0.000 -4.094 2.447) 4.769 10.067 ( 0.000 -1.711 2.774) 3.259 10.082 ( 0.000 -5.015 -2.001) 5.400 10.183 ( 0.000 -4.244 -3.040) 5.221 ======================= Grid point 216 (77/105) ======================= q-point: ( 0.25 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.483 7.438 3.008) 8.038 1.758 ( -3.363 5.375 1.810) 6.593 1.889 ( 2.195 6.559 -1.085) 7.001 1.956 ( 2.893 3.259 5.140) 6.739 2.050 ( -0.985 4.961 -0.785) 5.118 2.150 ( 0.417 4.164 -0.153) 4.188 2.266 ( -2.055 -2.708 -2.896) 4.466 2.306 ( -2.436 -0.849 -4.247) 4.969 2.471 ( 1.601 0.856 1.351) 2.263 2.531 ( -1.057 0.447 0.734) 1.362 2.613 ( 0.566 4.191 -2.779) 5.060 2.633 ( -0.341 1.383 -2.457) 2.840 2.979 ( 2.333 -1.100 1.739) 3.111 2.991 ( 0.426 0.988 1.823) 2.117 3.024 ( 0.556 1.564 1.959) 2.567 3.092 ( -1.168 0.520 -0.333) 1.321 3.229 ( 2.688 -1.162 1.103) 3.130 3.370 ( 3.329 -3.441 -3.798) 6.111 3.418 ( -6.159 0.296 3.156) 6.926 3.609 ( -7.974 -3.823 -4.189) 9.785 3.849 ( 7.021 11.027 3.589) 13.557 3.969 ( 5.787 5.224 -1.979) 8.043 4.106 ( -3.321 12.084 2.229) 12.729 4.162 ( -2.047 10.646 -0.010) 10.841 6.509 ( 0.745 1.898 1.019) 2.280 6.554 ( -1.187 1.976 -0.326) 2.328 6.616 ( 1.148 -1.648 -1.997) 2.833 6.666 ( -0.886 -1.071 -3.195) 3.484 6.931 ( 1.870 0.258 2.212) 2.908 7.047 ( -3.824 -0.393 -1.996) 4.331 7.202 ( 3.262 -1.839 0.211) 3.750 7.262 ( 0.975 -2.604 -2.527) 3.757 7.442 ( -0.654 2.984 1.552) 3.426 7.497 ( -1.771 3.715 -0.960) 4.226 7.768 ( -1.184 1.818 -1.986) 2.941 7.791 ( -2.313 0.822 -2.255) 3.333 7.916 ( 3.169 9.212 0.167) 9.743 7.952 ( 2.120 6.902 -1.976) 7.486 8.442 ( 2.424 9.880 5.506) 11.568 8.589 ( -3.308 8.494 -0.899) 9.159 8.904 ( -0.202 9.964 -1.865) 10.139 8.915 ( -0.197 9.382 -1.824) 9.560 9.248 ( -0.437 -1.217 -1.594) 2.052 9.257 ( -0.481 -0.316 -1.891) 1.976 10.006 ( 1.017 -3.696 2.606) 4.636 10.054 ( -1.036 -2.465 2.614) 3.739 10.105 ( 1.936 -4.264 -2.073) 5.121 10.173 ( -1.037 -4.193 -2.968) 5.241 ======================= Grid point 217 (78/105) ======================= q-point: (-0.50 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -1.967 7.083 2.698) 7.831 1.705 ( 1.967 7.083 2.698) 7.831 1.940 ( -2.943 5.159 -2.555) 6.465 1.940 ( 2.943 5.159 -2.555) 6.465 2.104 ( -4.615 2.313 5.717) 7.703 2.104 ( 4.615 2.313 5.717) 7.703 2.262 ( -1.658 0.047 -4.856) 5.132 2.262 ( 1.658 0.047 -4.856) 5.132 2.505 ( -1.712 0.335 0.635) 1.857 2.505 ( 1.712 0.335 0.635) 1.857 2.624 ( -0.596 2.699 -2.669) 3.842 2.624 ( 0.596 2.699 -2.669) 3.842 2.998 ( -0.181 1.239 1.760) 2.160 2.998 ( 0.181 1.239 1.760) 2.160 3.058 ( -2.347 0.270 0.936) 2.541 3.058 ( 2.347 0.270 0.936) 2.541 3.305 ( -5.208 -0.269 1.734) 5.496 3.305 ( 5.208 -0.269 1.734) 5.496 3.466 ( -6.647 -4.344 -4.136) 8.954 3.466 ( 6.647 -4.344 -4.136) 8.954 3.978 ( -5.630 10.174 3.237) 12.070 3.978 ( 5.630 10.174 3.237) 12.070 4.103 ( -3.730 9.350 -1.064) 10.123 4.103 ( 3.730 9.350 -1.064) 10.123 6.529 ( -1.327 2.059 0.752) 2.563 6.529 ( 1.327 2.059 0.752) 2.563 6.643 ( -1.476 -1.432 -2.721) 3.411 6.643 ( 1.476 -1.432 -2.721) 3.411 6.980 ( -3.149 -0.068 -0.341) 3.168 6.980 ( 3.149 -0.068 -0.341) 3.168 7.255 ( -1.930 -2.962 -0.095) 3.537 7.255 ( 1.930 -2.962 -0.095) 3.537 7.455 ( -2.067 4.051 -0.692) 4.600 7.455 ( 2.067 4.051 -0.692) 4.600 7.762 ( -0.622 1.971 -2.216) 3.030 7.762 ( 0.622 1.971 -2.216) 3.030 7.963 ( -1.193 7.398 -0.626) 7.520 7.963 ( 1.193 7.398 -0.626) 7.520 8.510 ( -4.449 9.502 2.670) 10.826 8.510 ( 4.449 9.502 2.670) 10.826 8.907 ( -0.465 9.725 -2.229) 9.988 8.907 ( 0.465 9.725 -2.229) 9.988 9.247 ( -0.363 -1.366 -1.820) 2.304 9.247 ( 0.363 -1.366 -1.820) 2.304 10.030 ( -1.410 -2.958 2.764) 4.287 10.030 ( 1.410 -2.958 2.764) 4.287 10.144 ( -1.915 -4.135 -2.678) 5.285 10.144 ( 1.915 -4.135 -2.678) 5.285 ======================= Grid point 220 (79/105) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 0.000 6.927 -0.050) 6.927 1.866 ( 0.000 3.555 -0.438) 3.582 1.966 ( 0.000 4.898 2.712) 5.599 2.055 ( 0.000 6.038 2.747) 6.634 2.141 ( 0.000 0.004 -4.715) 4.715 2.175 ( 0.000 0.235 -1.856) 1.871 2.257 ( 0.000 0.302 -0.633) 0.702 2.294 ( 0.000 -0.786 -0.864) 1.168 2.489 ( 0.000 1.112 3.584) 3.752 2.543 ( 0.000 0.612 -0.072) 0.616 2.622 ( 0.000 -1.923 -2.110) 2.854 2.654 ( 0.000 -0.147 -2.183) 2.188 2.908 ( 0.000 -0.831 1.243) 1.495 2.987 ( 0.000 -1.044 0.263) 1.076 3.045 ( 0.000 0.751 1.302) 1.503 3.097 ( 0.000 -0.588 -1.247) 1.379 3.178 ( 0.000 -0.766 0.630) 0.992 3.274 ( 0.000 -2.971 -2.480) 3.870 3.447 ( 0.000 -3.519 -0.437) 3.546 3.570 ( 0.000 -7.729 -3.894) 8.654 4.028 ( 0.000 11.731 2.616) 12.019 4.051 ( 0.000 9.595 0.584) 9.613 4.366 ( 0.000 9.767 1.662) 9.907 4.394 ( 0.000 9.061 0.919) 9.107 6.528 ( 0.000 0.965 0.410) 1.049 6.568 ( 0.000 -0.943 -1.999) 2.210 6.614 ( 0.000 1.675 -0.649) 1.796 6.662 ( 0.000 -0.408 -3.010) 3.038 6.939 ( 0.000 2.171 1.942) 2.913 7.085 ( 0.000 -0.978 -3.376) 3.515 7.134 ( 0.000 -0.930 0.752) 1.197 7.188 ( 0.000 -3.576 -2.223) 4.211 7.509 ( 0.000 3.309 0.998) 3.457 7.576 ( 0.000 2.807 -1.285) 3.087 7.767 ( 0.000 -1.627 -3.420) 3.787 7.768 ( 0.000 -3.133 -3.805) 4.929 8.106 ( 0.000 9.874 -0.112) 9.875 8.111 ( 0.000 10.752 -0.182) 10.753 8.530 ( 0.000 1.518 4.630) 4.872 8.665 ( 0.000 -2.577 -1.412) 2.938 9.038 ( 0.000 4.145 -0.883) 4.238 9.039 ( 0.000 3.124 -0.900) 3.251 9.285 ( 0.000 2.470 -0.632) 2.549 9.299 ( 0.000 3.114 -0.582) 3.168 9.933 ( 0.000 -2.079 1.347) 2.477 9.989 ( 0.000 -4.049 -1.422) 4.291 10.045 ( 0.000 -0.660 1.856) 1.970 10.113 ( 0.000 -2.921 -1.606) 3.334 ======================= Grid point 221 (80/105) ======================= q-point: ( 0.25 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 0.334 6.833 -0.213) 6.845 1.855 ( -0.942 4.820 -0.434) 4.931 1.988 ( 1.982 4.115 1.066) 4.691 2.069 ( 0.967 6.298 3.004) 7.045 2.094 ( -2.143 -0.370 -2.258) 3.135 2.212 ( -2.288 1.626 1.682) 3.272 2.226 ( 1.410 -1.492 -2.364) 3.131 2.292 ( -0.578 -0.126 -2.590) 2.657 2.494 ( 0.600 1.214 2.639) 2.967 2.533 ( -0.952 0.520 0.387) 1.152 2.628 ( 0.606 -1.516 -2.492) 2.979 2.650 ( -0.364 -0.355 -2.452) 2.504 2.947 ( 3.551 -1.039 1.242) 3.903 3.000 ( 1.166 -0.353 0.707) 1.409 3.041 ( -0.384 0.344 1.311) 1.408 3.087 ( -1.185 -0.720 -0.535) 1.486 3.202 ( 2.685 -1.047 0.100) 2.884 3.291 ( 1.760 -3.447 -2.181) 4.442 3.391 ( -4.924 -2.701 -1.214) 5.746 3.491 ( -6.749 -6.413 -3.678) 10.010 4.089 ( 5.660 11.150 2.586) 12.768 4.125 ( 6.121 8.814 0.722) 10.756 4.332 ( -3.373 9.728 1.657) 10.428 4.363 ( -3.143 8.706 0.667) 9.280 6.539 ( 1.075 1.173 0.407) 1.642 6.581 ( 0.916 -0.219 -2.121) 2.320 6.602 ( -0.786 1.010 -0.208) 1.296 6.651 ( -1.192 -0.539 -2.804) 3.094 6.953 ( 1.439 1.921 0.868) 2.552 7.047 ( -2.922 0.402 -2.313) 3.749 7.158 ( 1.633 -2.562 0.107) 3.040 7.191 ( 0.109 -4.110 -1.389) 4.340 7.512 ( 0.579 3.895 -0.067) 3.938 7.568 ( -1.033 3.422 -1.739) 3.975 7.756 ( -0.843 -2.748 -3.260) 4.346 7.759 ( -0.694 -1.788 -3.199) 3.730 8.122 ( 1.739 10.325 0.199) 10.472 8.136 ( 1.678 10.122 -0.421) 10.269 8.545 ( 1.681 0.838 3.950) 4.374 8.645 ( -2.059 -2.093 -0.484) 2.975 9.042 ( 0.663 4.074 -0.571) 4.167 9.053 ( 0.893 5.083 -1.169) 5.291 9.249 ( -2.364 1.001 -0.261) 2.580 9.280 ( -2.282 1.752 -1.399) 3.199 9.951 ( 1.726 -1.672 1.522) 2.845 10.004 ( 0.605 -2.607 -0.489) 2.721 10.044 ( 0.533 -1.749 0.806) 1.998 10.103 ( -1.039 -2.965 -1.568) 3.511 ======================= Grid point 222 (81/105) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -0.826 6.241 -0.448) 6.311 1.837 ( 0.826 6.241 -0.448) 6.311 2.032 ( -2.575 3.766 -1.424) 4.779 2.032 ( 2.575 3.766 -1.424) 4.779 2.136 ( -4.047 1.048 4.537) 6.169 2.136 ( 4.047 1.048 4.537) 6.169 2.269 ( -1.875 0.124 -3.286) 3.786 2.269 ( 1.875 0.124 -3.286) 3.786 2.511 ( -1.180 0.797 1.323) 1.943 2.511 ( 1.180 0.797 1.323) 1.943 2.641 ( -0.631 -0.866 -2.776) 2.975 2.641 ( 0.631 -0.866 -2.776) 2.975 3.005 ( -1.555 0.003 1.308) 2.032 3.005 ( 1.555 0.003 1.308) 2.032 3.052 ( -2.091 -0.815 0.593) 2.321 3.052 ( 2.091 -0.815 0.593) 2.321 3.277 ( -4.714 -1.865 0.183) 5.073 3.277 ( 4.714 -1.865 0.183) 5.073 3.369 ( -4.946 -4.687 -4.092) 7.948 3.369 ( 4.946 -4.687 -4.092) 7.948 4.193 ( -2.861 10.418 2.493) 11.087 4.193 ( 2.861 10.418 2.493) 11.087 4.291 ( -2.622 8.281 0.306) 8.691 4.291 ( 2.622 8.281 0.306) 8.691 6.566 ( -1.605 1.613 0.089) 2.277 6.566 ( 1.605 1.613 0.089) 2.277 6.621 ( -1.818 -0.837 -2.211) 2.982 6.621 ( 1.818 -0.837 -2.211) 2.982 6.992 ( -2.641 1.364 -0.985) 3.131 6.992 ( 2.641 1.364 -0.985) 3.131 7.184 ( -0.967 -4.023 -0.255) 4.145 7.184 ( 0.967 -4.023 -0.255) 4.145 7.537 ( -1.864 4.199 -1.671) 4.889 7.537 ( 1.864 4.199 -1.671) 4.889 7.749 ( -0.164 -2.181 -2.858) 3.599 7.749 ( 0.164 -2.181 -2.858) 3.599 8.150 ( -0.561 10.205 -0.035) 10.221 8.150 ( 0.561 10.205 -0.035) 10.221 8.593 ( -3.047 -0.717 1.837) 3.630 8.593 ( 3.047 -0.717 1.837) 3.630 9.057 ( -0.607 5.864 -0.712) 5.939 9.057 ( 0.607 5.864 -0.712) 5.939 9.236 ( -1.370 -0.362 -1.188) 1.849 9.236 ( 1.370 -0.362 -1.188) 1.849 9.988 ( -1.810 -1.136 1.440) 2.577 9.988 ( 1.810 -1.136 1.440) 2.577 10.074 ( -1.914 -3.044 -1.271) 3.813 10.074 ( 1.914 -3.044 -1.271) 3.813 ======================= Grid point 225 (82/105) ======================= q-point: ( 0.00 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 0.000 5.237 -1.844) 5.553 1.955 ( 0.000 4.764 -1.585) 5.021 2.032 ( 0.000 0.501 0.386) 0.633 2.050 ( 0.000 -3.597 -1.123) 3.768 2.153 ( 0.000 -0.701 0.312) 0.768 2.170 ( 0.000 0.004 0.174) 0.174 2.280 ( 0.000 1.898 -0.163) 1.905 2.298 ( 0.000 0.373 -0.041) 0.376 2.506 ( 0.000 1.554 3.544) 3.869 2.563 ( 0.000 -3.590 0.665) 3.651 2.580 ( 0.000 2.532 -1.417) 2.902 2.627 ( 0.000 -2.093 -1.810) 2.767 2.918 ( 0.000 1.454 -0.238) 1.473 2.954 ( 0.000 -1.967 -0.726) 2.097 3.062 ( 0.000 1.013 0.805) 1.294 3.083 ( 0.000 -0.950 0.135) 0.960 3.184 ( 0.000 1.401 -1.036) 1.742 3.223 ( 0.000 -2.304 -2.228) 3.205 3.398 ( 0.000 -0.573 -1.721) 1.814 3.441 ( 0.000 -4.737 -2.892) 5.550 4.194 ( 0.000 4.461 1.700) 4.774 4.196 ( 0.000 4.087 1.235) 4.270 4.506 ( 0.000 4.013 1.470) 4.274 4.517 ( 0.000 2.991 1.203) 3.223 6.543 ( 0.000 0.540 -0.209) 0.579 6.553 ( 0.000 -0.587 -0.905) 1.079 6.641 ( 0.000 1.026 -1.847) 2.113 6.655 ( 0.000 -0.428 -2.536) 2.572 6.995 ( 0.000 3.323 -0.044) 3.323 7.057 ( 0.000 -2.333 -2.209) 3.213 7.118 ( 0.000 -0.484 0.060) 0.488 7.127 ( 0.000 -1.857 -0.601) 1.951 7.576 ( 0.000 3.117 -0.269) 3.128 7.612 ( 0.000 0.190 -0.803) 0.825 7.719 ( 0.000 -1.090 -4.693) 4.817 7.732 ( 0.000 -1.675 -4.354) 4.665 8.278 ( 0.000 6.754 0.388) 6.765 8.293 ( 0.000 6.383 -0.280) 6.389 8.511 ( 0.000 -1.677 2.223) 2.785 8.565 ( 0.000 -6.117 -0.236) 6.122 9.077 ( 0.000 1.149 0.059) 1.151 9.084 ( 0.000 0.710 -0.159) 0.728 9.331 ( 0.000 1.726 -0.112) 1.730 9.342 ( 0.000 0.811 -0.360) 0.888 9.912 ( 0.000 -0.107 0.401) 0.415 9.929 ( 0.000 -1.897 -0.461) 1.952 10.042 ( 0.000 0.471 0.601) 0.764 10.065 ( 0.000 -1.842 -0.557) 1.924 ======================= Grid point 226 (83/105) ======================= q-point: ( 0.25 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 0.363 5.219 -1.208) 5.369 1.956 ( 0.106 5.393 -1.327) 5.555 2.036 ( 0.467 -1.075 0.215) 1.191 2.050 ( -0.048 -2.880 -0.501) 2.923 2.153 ( 0.451 1.782 1.027) 2.105 2.197 ( 2.311 -1.864 -1.298) 3.241 2.241 ( -3.180 2.818 0.927) 4.349 2.288 ( -1.417 -1.035 -1.197) 2.124 2.519 ( 1.197 1.911 2.480) 3.352 2.564 ( -0.491 1.004 -0.118) 1.124 2.580 ( 0.636 -1.716 -0.551) 1.911 2.620 ( -0.764 -2.319 -1.597) 2.918 2.949 ( 3.029 1.050 0.040) 3.206 2.978 ( 2.346 -1.580 -0.270) 2.841 3.052 ( -1.152 0.848 0.805) 1.641 3.071 ( -1.364 -0.943 0.242) 1.676 3.201 ( 1.909 1.015 -1.244) 2.494 3.236 ( 1.429 -2.246 -2.266) 3.496 3.349 ( -4.410 -0.606 -1.848) 4.820 3.384 ( -5.105 -3.943 -2.783) 7.026 4.251 ( 5.462 4.599 1.637) 7.326 4.260 ( 5.765 3.710 1.223) 6.964 4.471 ( -3.668 3.952 1.482) 5.592 4.482 ( -3.619 2.850 1.151) 4.748 6.557 ( 1.437 0.693 -0.316) 1.626 6.569 ( 1.587 -0.599 -1.094) 2.018 6.627 ( -1.443 1.030 -1.423) 2.273 6.641 ( -1.383 -0.498 -2.237) 2.677 7.006 ( 1.093 3.271 -0.331) 3.465 7.057 ( -0.305 -0.287 -2.146) 2.187 7.104 ( -0.947 -2.158 0.112) 2.360 7.120 ( -0.762 -2.580 -0.774) 2.799 7.589 ( 1.313 3.573 -1.047) 3.948 7.623 ( 0.788 1.316 -1.532) 2.168 7.702 ( -1.445 -1.772 -3.913) 4.532 7.718 ( -1.338 -2.198 -3.782) 4.574 8.306 ( 2.536 7.646 0.512) 8.072 8.323 ( 2.440 7.482 -0.251) 7.874 8.504 ( -0.497 -3.436 1.981) 3.997 8.548 ( -1.729 -6.441 -0.020) 6.668 9.098 ( 2.262 1.865 0.197) 2.938 9.111 ( 2.726 0.853 -0.397) 2.884 9.276 ( -4.765 1.514 0.175) 5.003 9.297 ( -4.388 -0.243 -0.670) 4.445 9.939 ( 2.487 0.371 0.501) 2.563 9.960 ( 2.686 -1.674 -0.545) 3.212 10.030 ( -1.189 0.284 0.602) 1.362 10.054 ( -1.214 -1.944 -0.555) 2.358 ======================= Grid point 227 (84/105) ======================= q-point: (-0.50 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -0.145 5.660 -0.823) 5.722 1.956 ( 0.145 5.660 -0.823) 5.722 2.046 ( -0.430 -2.736 0.057) 2.771 2.046 ( 0.430 -2.736 0.057) 2.771 2.180 ( -2.562 3.668 1.030) 4.591 2.180 ( 2.562 3.668 1.030) 4.591 2.248 ( -2.573 -2.471 -1.705) 3.954 2.248 ( 2.573 -2.471 -1.705) 3.954 2.544 ( -1.294 2.486 0.667) 2.881 2.544 ( 1.294 2.486 0.667) 2.881 2.601 ( -1.181 -2.813 -0.918) 3.186 2.601 ( 1.181 -2.813 -0.918) 3.186 3.012 ( -2.610 0.739 0.563) 2.771 3.012 ( 2.610 0.739 0.563) 2.771 3.031 ( -2.349 -1.117 0.315) 2.620 3.031 ( 2.349 -1.117 0.315) 2.620 3.257 ( -3.450 0.253 -1.318) 3.702 3.257 ( 3.450 0.253 -1.318) 3.702 3.291 ( -3.339 -3.007 -2.961) 5.381 3.291 ( 3.339 -3.007 -2.961) 5.381 4.358 ( -1.899 5.548 1.712) 6.109 4.358 ( 1.899 5.548 1.712) 6.109 4.396 ( -1.954 1.848 1.000) 2.869 4.396 ( 1.954 1.848 1.000) 2.869 6.592 ( -1.959 0.986 -0.765) 2.323 6.592 ( 1.959 0.986 -0.765) 2.323 6.607 ( -2.025 -0.638 -1.559) 2.634 6.607 ( 2.025 -0.638 -1.559) 2.634 7.034 ( -1.756 2.864 -1.049) 3.519 7.034 ( 1.756 2.864 -1.049) 3.519 7.103 ( -0.754 -3.927 -0.698) 4.059 7.103 ( 0.754 -3.927 -0.698) 4.059 7.619 ( -1.443 3.988 -2.402) 4.874 7.619 ( 1.443 3.988 -2.402) 4.874 7.692 ( -0.869 -3.356 -2.817) 4.467 7.692 ( 0.869 -3.356 -2.817) 4.467 8.346 ( -0.767 9.377 0.316) 9.414 8.346 ( 0.767 9.377 0.316) 9.414 8.511 ( -1.581 -6.792 0.869) 7.027 8.511 ( 1.581 -6.792 0.869) 7.027 9.153 ( -1.773 3.927 0.020) 4.309 9.153 ( 1.773 3.927 0.020) 4.309 9.214 ( -2.061 -2.091 -0.427) 2.967 9.214 ( 2.061 -2.091 -0.427) 2.967 9.987 ( -1.834 0.968 0.366) 2.106 9.987 ( 1.834 0.968 0.366) 2.106 10.021 ( -1.848 -2.290 -0.359) 2.965 10.021 ( 1.848 -2.290 -0.359) 2.965 ======================= Grid point 260 (85/105) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 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| 1.129 ( 0.000 0.000 -3.978) 3.978 1.129 ( 0.000 0.000 3.978) 3.978 1.417 ( 0.000 0.000 -10.620) 10.620 1.417 ( 0.000 0.000 10.620) 10.620 1.924 ( 0.000 0.000 -11.591) 11.591 1.924 ( 0.000 0.000 11.591) 11.591 1.985 ( 0.000 0.000 -0.920) 0.920 1.985 ( 0.000 0.000 0.920) 0.920 2.241 ( 0.000 0.000 -18.380) 18.380 2.241 ( 0.000 0.000 18.380) 18.380 2.294 ( 0.000 0.000 -0.032) 0.032 2.294 ( 0.000 0.000 0.032) 0.032 2.829 ( 0.000 0.000 -0.431) 0.431 2.829 ( 0.000 0.000 0.431) 0.431 2.922 ( 0.000 0.000 -0.244) 0.244 2.922 ( 0.000 0.000 0.244) 0.244 3.286 ( 0.000 0.000 -4.009) 4.009 3.286 ( 0.000 0.000 4.009) 4.009 3.415 ( 0.000 0.000 -21.188) 21.188 3.415 ( 0.000 0.000 21.188) 21.188 3.699 ( 0.000 0.000 -3.726) 3.726 3.699 ( 0.000 0.000 3.726) 3.726 4.076 ( 0.000 0.000 -6.502) 6.502 4.076 ( 0.000 0.000 6.502) 6.502 6.450 ( 0.000 0.000 -3.924) 3.924 6.450 ( 0.000 0.000 3.924) 3.924 6.701 ( 0.000 0.000 -3.205) 3.205 6.701 ( 0.000 0.000 3.205) 3.205 6.865 ( 0.000 0.000 -2.953) 2.953 6.865 ( 0.000 0.000 2.953) 2.953 6.930 ( 0.000 0.000 -1.379) 1.379 6.930 ( 0.000 0.000 1.379) 1.379 7.197 ( 0.000 0.000 -0.580) 0.580 7.197 ( 0.000 0.000 0.580) 0.580 7.236 ( 0.000 0.000 -0.716) 0.716 7.236 ( 0.000 0.000 0.716) 0.716 7.566 ( 0.000 0.000 -0.618) 0.618 7.566 ( 0.000 0.000 0.618) 0.618 7.997 ( 0.000 0.000 -0.068) 0.068 7.997 ( 0.000 0.000 0.068) 0.068 8.102 ( 0.000 0.000 -7.041) 7.041 8.102 ( 0.000 0.000 7.041) 7.041 9.476 ( 0.000 0.000 -1.166) 1.166 9.476 ( 0.000 0.000 1.166) 1.166 10.307 ( 0.000 0.000 -2.023) 2.023 10.307 ( 0.000 0.000 2.024) 2.024 10.413 ( 0.000 0.000 -4.753) 4.753 10.413 ( 0.000 0.000 4.753) 4.753 ======================= Grid point 262 (86/105) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.018 0.000 -2.812) 2.812 1.129 ( 0.018 0.000 2.812) 2.812 1.452 ( 3.588 0.000 -9.737) 10.377 1.452 ( 3.588 0.000 9.737) 10.377 1.820 ( -8.660 0.000 -8.433) 12.087 1.820 ( -8.660 0.000 8.433) 12.087 1.985 ( 0.001 0.000 -0.650) 0.650 1.985 ( 0.001 0.000 0.650) 0.650 2.282 ( 2.699 0.000 -10.849) 11.180 2.282 ( 2.699 0.000 10.849) 11.180 2.294 ( 0.007 0.000 -0.023) 0.024 2.294 ( 0.007 0.000 0.023) 0.024 2.838 ( 0.727 0.000 -0.370) 0.816 2.838 ( 0.727 0.000 0.370) 0.816 2.922 ( -0.009 0.000 -0.172) 0.173 2.922 ( -0.009 0.000 0.172) 0.173 3.297 ( 0.866 0.000 -2.269) 2.429 3.297 ( 0.866 0.000 2.269) 2.429 3.408 ( -0.573 0.000 -14.610) 14.622 3.408 ( -0.573 0.000 14.610) 14.622 3.731 ( 2.869 0.000 -1.854) 3.416 3.731 ( 2.869 0.000 1.854) 3.416 4.055 ( -1.922 0.000 -5.488) 5.815 4.055 ( -1.922 0.000 5.488) 5.815 6.448 ( -0.137 0.000 -2.826) 2.830 6.448 ( -0.137 0.000 2.826) 2.830 6.702 ( 0.077 0.000 -2.283) 2.284 6.702 ( 0.077 0.000 2.283) 2.284 6.849 ( -1.271 0.000 -2.332) 2.656 6.849 ( -1.271 0.000 2.332) 2.656 6.929 ( -0.081 0.000 -1.000) 1.003 6.929 ( -0.081 0.000 1.000) 1.003 7.197 ( -0.005 0.000 -0.410) 0.410 7.197 ( -0.005 0.000 0.410) 0.410 7.278 ( 3.735 0.000 -1.947) 4.212 7.278 ( 3.735 0.000 1.947) 4.212 7.535 ( -2.883 0.000 -0.429) 2.915 7.535 ( -2.883 0.000 0.429) 2.915 7.998 ( 0.009 0.000 -0.048) 0.049 7.998 ( 0.009 0.000 0.048) 0.049 8.110 ( 0.656 0.000 -4.830) 4.874 8.110 ( 0.656 0.000 4.830) 4.874 9.480 ( 0.368 0.000 -0.823) 0.901 9.480 ( 0.368 0.000 0.823) 0.901 10.303 ( -0.328 0.000 -1.497) 1.533 10.303 ( -0.328 0.000 1.497) 1.533 10.411 ( -0.159 0.000 -3.398) 3.402 10.411 ( -0.159 0.000 3.398) 3.402 ======================= Grid point 264 (87/105) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.000 0.000 0.000) 0.000 1.130 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.700 ( -0.000 0.000 0.000) 0.000 1.700 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 -0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 -0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 4.029 ( -0.000 0.000 -0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.703 ( 0.000 0.000 0.000) 0.000 6.703 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 7.330 ( -0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000 7.998 ( 0.000 0.000 0.000) 0.000 7.998 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 9.485 ( 0.000 0.000 0.000) 0.000 9.485 ( 0.000 0.000 0.000) 0.000 10.299 ( 0.000 0.000 -0.000) 0.000 10.299 ( 0.000 0.000 0.000) 0.000 10.409 ( 0.000 0.000 0.000) 0.000 10.409 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 270 (88/105) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 20.267 -3.024) 20.491 1.376 ( 0.000 20.267 3.024) 20.491 1.447 ( 0.000 2.962 -8.804) 9.289 1.447 ( 0.000 2.962 8.804) 9.289 1.858 ( 0.000 -0.994 -7.901) 7.964 1.858 ( 0.000 -0.994 7.901) 7.964 2.090 ( 0.000 2.785 -4.431) 5.234 2.090 ( 0.000 2.785 4.431) 5.234 2.272 ( 0.000 5.840 -8.005) 9.909 2.272 ( 0.000 5.840 8.005) 9.909 2.340 ( 0.000 3.540 -4.985) 6.114 2.340 ( 0.000 3.540 4.985) 6.114 2.834 ( 0.000 0.826 -0.310) 0.882 2.834 ( 0.000 0.826 0.310) 0.882 2.948 ( 0.000 2.344 -0.590) 2.417 2.948 ( 0.000 2.344 0.590) 2.417 3.288 ( 0.000 0.226 -2.874) 2.883 3.288 ( 0.000 0.226 2.874) 2.883 3.416 ( 0.000 0.282 -19.991) 19.993 3.416 ( 0.000 0.282 19.991) 19.993 3.712 ( 0.000 1.454 -4.115) 4.365 3.712 ( 0.000 1.454 4.115) 4.365 4.045 ( 0.000 -3.037 -6.772) 7.422 4.045 ( 0.000 -3.037 6.772) 7.422 6.452 ( 0.000 0.440 -3.851) 3.876 6.452 ( 0.000 0.440 3.851) 3.876 6.762 ( 0.000 -3.205 -0.598) 3.260 6.762 ( 0.000 -3.205 0.598) 3.260 6.835 ( 0.000 9.906 -2.329) 10.176 6.835 ( 0.000 9.906 2.329) 10.176 7.097 ( 0.000 8.343 -2.360) 8.670 7.097 ( 0.000 8.343 2.360) 8.670 7.195 ( 0.000 0.346 -1.299) 1.344 7.195 ( 0.000 0.346 1.299) 1.344 7.310 ( 0.000 8.649 -1.704) 8.816 7.310 ( 0.000 8.649 1.704) 8.816 7.601 ( 0.000 4.485 -1.638) 4.775 7.601 ( 0.000 4.485 1.638) 4.775 7.954 ( 0.000 -3.008 -2.107) 3.672 7.954 ( 0.000 -3.008 2.107) 3.672 8.190 ( 0.000 7.538 -4.696) 8.881 8.190 ( 0.000 7.538 4.696) 8.881 9.442 ( 0.000 -3.267 -0.963) 3.406 9.442 ( 0.000 -3.267 0.963) 3.406 10.278 ( 0.000 -2.725 -2.254) 3.536 10.278 ( 0.000 -2.725 2.254) 3.536 10.381 ( 0.000 -3.086 -4.625) 5.560 10.381 ( 0.000 -3.086 4.625) 5.560 ======================= Grid point 272 (89/105) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -0.474 18.203 -0.934) 18.233 1.367 ( -0.474 18.203 0.934) 18.233 1.491 ( 4.174 4.838 -7.209) 9.633 1.491 ( 4.174 4.838 7.209) 9.633 1.769 ( -7.723 -0.902 -6.904) 10.398 1.769 ( -7.723 -0.902 6.904) 10.398 2.110 ( 1.231 6.458 -2.844) 7.163 2.110 ( 1.231 6.458 2.844) 7.163 2.285 ( 1.236 3.149 -6.634) 7.447 2.285 ( 1.236 3.149 6.634) 7.447 2.332 ( -0.770 2.743 -3.784) 4.736 2.332 ( -0.770 2.742 3.784) 4.736 2.844 ( 0.845 0.884 -0.591) 1.359 2.844 ( 0.845 0.884 0.591) 1.359 2.945 ( -0.226 2.135 -0.594) 2.228 2.945 ( -0.226 2.135 0.594) 2.228 3.299 ( 0.853 0.240 -1.548) 1.784 3.299 ( 0.853 0.240 1.548) 1.784 3.412 ( -0.289 0.579 -14.006) 14.021 3.412 ( -0.289 0.579 14.006) 14.021 3.740 ( 2.432 0.939 -2.324) 3.493 3.740 ( 2.432 0.939 2.324) 3.493 4.025 ( -1.756 -2.843 -5.632) 6.549 4.025 ( -1.756 -2.843 5.632) 6.549 6.451 ( -0.136 0.460 -2.742) 2.783 6.451 ( -0.136 0.460 2.742) 2.783 6.760 ( -0.131 -3.531 -0.549) 3.576 6.760 ( -0.131 -3.531 0.549) 3.576 6.838 ( 0.199 11.132 -2.044) 11.320 6.838 ( 0.199 11.132 2.044) 11.320 7.060 ( -2.348 5.213 -1.590) 5.935 7.060 ( -2.348 5.213 1.590) 5.935 7.225 ( 1.451 3.511 -1.027) 3.935 7.225 ( 1.451 3.511 1.027) 3.935 7.349 ( 4.095 8.227 -2.148) 9.437 7.349 ( 4.095 8.227 2.148) 9.437 7.561 ( -3.803 3.822 -0.630) 5.428 7.561 ( -3.803 3.822 0.630) 5.428 7.959 ( 0.389 -2.733 -1.292) 3.048 7.959 ( 0.389 -2.733 1.292) 3.048 8.194 ( 0.340 7.347 -3.315) 8.068 8.194 ( 0.340 7.347 3.315) 8.068 9.446 ( 0.328 -3.311 -0.683) 3.397 9.446 ( 0.328 -3.311 0.683) 3.397 10.275 ( -0.267 -2.646 -1.631) 3.119 10.275 ( -0.267 -2.646 1.631) 3.119 10.379 ( -0.131 -3.063 -3.297) 4.502 10.379 ( -0.131 -3.063 3.297) 4.502 ======================= Grid point 274 (90/105) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -0.000 17.762 0.000) 17.762 1.363 ( 0.000 17.762 0.000) 17.762 1.577 ( -0.000 7.784 0.000) 7.784 1.577 ( 0.000 7.784 0.000) 7.784 1.642 ( 0.000 -3.181 -0.000) 3.181 1.642 ( 0.000 -3.181 0.000) 3.181 2.122 ( -0.000 9.162 0.000) 9.162 2.122 ( 0.000 9.162 0.000) 9.162 2.307 ( -0.000 -0.135 0.000) 0.135 2.307 ( 0.000 -0.135 0.000) 0.135 2.316 ( 0.000 3.198 -0.000) 3.198 2.316 ( 0.000 3.198 -0.000) 3.198 2.854 ( 0.000 0.938 0.000) 0.938 2.854 ( 0.000 0.938 0.000) 0.938 2.942 ( 0.000 1.915 0.000) 1.915 2.942 ( 0.000 1.915 0.000) 1.915 3.309 ( -0.000 0.245 0.000) 0.245 3.309 ( 0.000 0.245 0.000) 0.245 3.409 ( 0.000 0.852 -0.000) 0.852 3.409 ( 0.000 0.852 0.000) 0.852 3.772 ( 0.000 0.417 0.000) 0.417 3.772 ( 0.000 0.417 0.000) 0.417 4.001 ( 0.000 -2.611 0.000) 2.611 4.001 ( 0.000 -2.611 0.000) 2.611 6.449 ( 0.000 0.479 0.000) 0.479 6.449 ( 0.000 0.479 0.000) 0.479 6.759 ( 0.000 -3.881 0.000) 3.881 6.759 ( 0.000 -3.881 0.000) 3.881 6.840 ( -0.000 12.487 -0.000) 12.487 6.840 ( 0.000 12.487 -0.000) 12.487 7.035 ( -0.000 3.586 -0.000) 3.586 7.035 ( 0.000 3.586 -0.000) 3.586 7.237 ( -0.000 4.822 0.000) 4.822 7.237 ( 0.000 4.822 0.000) 4.822 7.422 ( -0.000 11.146 0.000) 11.146 7.422 ( 0.000 11.146 0.000) 11.146 7.493 ( 0.000 0.096 0.000) 0.096 7.493 ( 0.000 0.096 0.000) 0.096 7.963 ( -0.000 -2.491 -0.000) 2.491 7.963 ( 0.000 -2.491 -0.000) 2.491 8.198 ( -0.000 7.158 0.000) 7.158 8.198 ( 0.000 7.158 0.000) 7.158 9.450 ( 0.000 -3.358 0.000) 3.358 9.450 ( 0.000 -3.358 0.000) 3.358 10.272 ( 0.000 -2.561 -0.000) 2.561 10.272 ( 0.000 -2.561 0.000) 2.561 10.378 ( 0.000 -3.045 -0.000) 3.045 10.378 ( 0.000 -3.045 0.000) 3.045 ======================= Grid point 280 (91/105) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 0.000 5.266 -3.899) 6.553 1.531 ( 0.000 5.266 3.899) 6.553 1.703 ( 0.000 8.904 -3.469) 9.556 1.703 ( 0.000 8.904 3.469) 9.556 1.972 ( 0.000 13.051 -0.451) 13.058 1.972 ( 0.000 13.051 0.451) 13.058 2.089 ( 0.000 -1.033 -4.994) 5.100 2.089 ( 0.000 -1.033 4.994) 5.100 2.390 ( 0.000 3.991 -1.767) 4.365 2.390 ( 0.000 3.991 1.767) 4.365 2.446 ( 0.000 6.337 -2.242) 6.722 2.446 ( 0.000 6.337 2.242) 6.722 2.882 ( 0.000 4.239 -0.666) 4.291 2.882 ( 0.000 4.239 0.666) 4.291 3.000 ( 0.000 2.606 -1.255) 2.893 3.000 ( 0.000 2.606 1.255) 2.893 3.296 ( 0.000 0.512 -1.775) 1.847 3.296 ( 0.000 0.512 1.775) 1.847 3.438 ( 0.000 2.434 -14.253) 14.460 3.438 ( 0.000 2.434 14.253) 14.460 3.762 ( 0.000 3.490 -5.062) 6.148 3.762 ( 0.000 3.490 5.062) 6.148 3.966 ( 0.000 -4.192 -7.216) 8.345 3.966 ( 0.000 -4.192 7.216) 8.345 6.469 ( 0.000 1.230 -3.196) 3.425 6.469 ( 0.000 1.230 3.196) 3.425 6.696 ( 0.000 -2.981 -1.816) 3.491 6.696 ( 0.000 -2.981 1.816) 3.491 7.013 ( 0.000 4.075 -6.016) 7.266 7.013 ( 0.000 4.075 6.016) 7.266 7.192 ( 0.000 1.278 -2.477) 2.788 7.192 ( 0.000 1.278 2.477) 2.788 7.266 ( 0.000 9.339 -1.255) 9.423 7.266 ( 0.000 9.339 1.255) 9.423 7.492 ( 0.000 6.828 -1.653) 7.025 7.492 ( 0.000 6.828 1.653) 7.026 7.828 ( 0.000 15.170 -4.659) 15.869 7.828 ( 0.000 15.170 4.659) 15.869 7.907 ( 0.000 1.740 -2.312) 2.894 7.907 ( 0.000 1.740 2.312) 2.894 8.387 ( 0.000 12.203 -3.192) 12.613 8.387 ( 0.000 12.203 3.192) 12.613 9.359 ( 0.000 -4.688 -0.467) 4.711 9.359 ( 0.000 -4.688 0.467) 4.711 10.210 ( 0.000 -3.860 -2.461) 4.578 10.210 ( 0.000 -3.860 2.461) 4.578 10.298 ( 0.000 -4.986 -4.351) 6.617 10.298 ( 0.000 -4.986 4.351) 6.617 ======================= Grid point 282 (92/105) ======================= q-point: ( 0.25 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 1.911 5.269 -5.696) 7.991 1.548 ( 1.911 5.269 5.696) 7.991 1.678 ( -2.714 6.024 -5.663) 8.702 1.678 ( -2.714 6.024 5.663) 8.702 1.921 ( -3.003 15.450 -3.890) 16.213 1.921 ( -3.003 15.450 3.890) 16.213 2.152 ( 4.371 -0.021 -3.675) 5.711 2.152 ( 4.371 -0.021 3.675) 5.711 2.358 ( -2.724 2.744 -1.398) 4.111 2.358 ( -2.724 2.744 1.398) 4.111 2.453 ( 0.421 7.671 -1.430) 7.814 2.453 ( 0.421 7.671 1.430) 7.814 2.888 ( 0.569 3.839 -0.749) 3.953 2.888 ( 0.569 3.839 0.749) 3.953 2.995 ( -0.488 2.575 -1.211) 2.887 2.995 ( -0.488 2.575 1.211) 2.887 3.309 ( 1.055 0.777 -1.078) 1.697 3.309 ( 1.055 0.777 1.078) 1.697 3.437 ( -0.095 2.132 -10.269) 10.488 3.437 ( -0.095 2.132 10.269) 10.488 3.777 ( 1.376 2.974 -3.210) 4.587 3.777 ( 1.376 2.974 3.210) 4.587 3.953 ( -1.218 -3.829 -5.771) 7.032 3.953 ( -1.218 -3.829 5.771) 7.032 6.469 ( -0.055 1.305 -2.280) 2.628 6.469 ( -0.055 1.305 2.280) 2.628 6.695 ( -0.076 -2.904 -1.320) 3.191 6.695 ( -0.076 -2.904 1.320) 3.191 7.024 ( 0.980 2.260 -5.003) 5.577 7.024 ( 0.980 2.260 5.003) 5.577 7.150 ( -2.808 7.549 -3.058) 8.615 7.150 ( -2.808 7.549 3.058) 8.615 7.302 ( 2.213 4.854 -2.212) 5.776 7.302 ( 2.213 4.854 2.212) 5.776 7.500 ( 0.755 4.977 -1.382) 5.220 7.500 ( 0.755 4.977 1.382) 5.221 7.810 ( -1.438 19.292 -2.833) 19.552 7.810 ( -1.438 19.292 2.833) 19.552 7.912 ( 0.367 -0.485 -1.200) 1.345 7.912 ( 0.367 -0.485 1.200) 1.345 8.388 ( 0.030 11.975 -2.250) 12.185 8.388 ( 0.030 11.975 2.250) 12.185 9.361 ( 0.235 -4.752 -0.341) 4.770 9.361 ( 0.235 -4.752 0.341) 4.770 10.210 ( -0.021 -3.631 -1.838) 4.070 10.210 ( -0.021 -3.631 1.838) 4.070 10.296 ( -0.160 -5.062 -3.169) 5.974 10.296 ( -0.160 -5.062 3.169) 5.974 ======================= Grid point 284 (93/105) ======================= q-point: (-0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -0.000 7.810 0.000) 7.810 1.595 ( 0.000 7.810 0.000) 7.810 1.619 ( -0.000 1.007 -0.000) 1.007 1.619 ( 0.000 1.007 -0.000) 1.007 1.892 ( 0.000 18.380 0.000) 18.380 1.892 ( 0.000 18.380 0.000) 18.380 2.206 ( -0.000 0.098 0.000) 0.098 2.206 ( 0.000 0.098 0.000) 0.098 2.319 ( -0.000 1.957 0.000) 1.957 2.319 ( 0.000 1.957 0.000) 1.957 2.457 ( -0.000 8.478 0.000) 8.478 2.457 ( 0.000 8.478 0.000) 8.478 2.896 ( 0.000 3.438 0.000) 3.438 2.896 ( 0.000 3.438 0.000) 3.438 2.989 ( 0.000 2.556 -0.000) 2.556 2.989 ( 0.000 2.556 0.000) 2.556 3.322 ( 0.000 1.130 0.000) 1.130 3.322 ( 0.000 1.130 0.000) 1.130 3.436 ( 0.000 1.774 -0.000) 1.774 3.436 ( 0.000 1.774 0.000) 1.774 3.795 ( 0.000 2.387 0.000) 2.387 3.795 ( 0.000 2.387 0.000) 2.387 3.936 ( 0.000 -3.411 0.000) 3.411 3.936 ( 0.000 -3.411 0.000) 3.411 6.468 ( 0.000 1.383 0.000) 1.383 6.468 ( 0.000 1.383 0.000) 1.383 6.694 ( 0.000 -2.842 0.000) 2.842 6.694 ( 0.000 -2.842 0.000) 2.842 7.038 ( -0.000 -1.627 0.000) 1.627 7.038 ( 0.000 -1.627 0.000) 1.627 7.117 ( -0.000 12.949 -0.000) 12.949 7.117 ( 0.000 12.949 -0.000) 12.949 7.325 ( -0.000 3.529 0.000) 3.529 7.325 ( 0.000 3.529 0.000) 3.529 7.510 ( 0.000 2.419 -0.000) 2.419 7.510 ( 0.000 2.419 0.000) 2.419 7.793 ( -0.000 23.312 0.000) 23.312 7.793 ( 0.000 23.312 0.000) 23.312 7.916 ( 0.000 -2.107 0.000) 2.107 7.916 ( 0.000 -2.107 0.000) 2.107 8.388 ( -0.000 11.751 -0.000) 11.751 8.388 ( 0.000 11.751 -0.000) 11.751 9.364 ( 0.000 -4.819 0.000) 4.819 9.364 ( 0.000 -4.819 0.000) 4.819 10.209 ( 0.000 -3.391 -0.000) 3.391 10.209 ( 0.000 -3.391 0.000) 3.391 10.295 ( 0.000 -5.148 -0.000) 5.148 10.295 ( 0.000 -5.148 0.000) 5.148 ======================= Grid point 290 (94/105) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.000 5.684 -1.796) 5.961 1.643 ( 0.000 5.684 1.796) 5.961 1.829 ( 0.000 5.961 -5.117) 7.856 1.829 ( 0.000 5.961 5.117) 7.856 2.077 ( 0.000 0.019 -0.379) 0.379 2.077 ( 0.000 0.019 0.379) 0.379 2.187 ( 0.000 5.951 -4.238) 7.306 2.187 ( 0.000 5.951 4.238) 7.306 2.480 ( 0.000 4.934 -2.106) 5.365 2.480 ( 0.000 4.934 2.106) 5.365 2.527 ( 0.000 2.472 -3.704) 4.454 2.527 ( 0.000 2.472 3.704) 4.454 2.973 ( 0.000 3.660 -0.065) 3.661 2.973 ( 0.000 3.660 0.065) 3.661 3.041 ( 0.000 1.267 -2.649) 2.937 3.041 ( 0.000 1.267 2.649) 2.937 3.296 ( 0.000 -0.893 -3.617) 3.725 3.296 ( 0.000 -0.893 3.617) 3.725 3.538 ( 0.000 7.782 -2.700) 8.237 3.538 ( 0.000 7.782 2.700) 8.237 3.784 ( 0.000 -3.097 -1.035) 3.265 3.784 ( 0.000 -3.097 1.035) 3.265 3.971 ( 0.000 7.177 -1.460) 7.324 3.971 ( 0.000 7.177 1.460) 7.324 6.498 ( 0.000 1.596 -2.335) 2.828 6.498 ( 0.000 1.596 2.335) 2.828 6.646 ( 0.000 -1.998 -1.953) 2.794 6.646 ( 0.000 -1.998 1.953) 2.794 7.028 ( 0.000 -0.836 -5.676) 5.737 7.028 ( 0.000 -0.836 5.676) 5.737 7.199 ( 0.000 -0.249 -2.283) 2.296 7.199 ( 0.000 -0.249 2.283) 2.296 7.432 ( 0.000 5.122 -0.262) 5.129 7.432 ( 0.000 5.122 0.262) 5.129 7.655 ( 0.000 10.781 -1.880) 10.944 7.655 ( 0.000 10.781 1.880) 10.944 7.833 ( 0.000 -2.567 -2.270) 3.426 7.833 ( 0.000 -2.567 2.270) 3.426 8.259 ( 0.000 18.870 -5.123) 19.553 8.259 ( 0.000 18.870 5.123) 19.553 8.654 ( 0.000 13.875 -1.297) 13.936 8.654 ( 0.000 13.875 1.297) 13.936 9.273 ( 0.000 -3.447 -0.007) 3.447 9.273 ( 0.000 -3.447 0.007) 3.447 10.131 ( 0.000 -4.134 -2.202) 4.684 10.131 ( 0.000 -4.134 2.202) 4.684 10.197 ( 0.000 -4.815 -3.951) 6.229 10.197 ( 0.000 -4.815 3.951) 6.229 ======================= Grid point 292 (95/105) ======================= q-point: ( 0.25 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.989 5.104 -3.286) 6.150 1.652 ( 0.989 5.104 3.286) 6.150 1.792 ( -3.154 6.354 -5.243) 8.821 1.792 ( -3.154 6.354 5.243) 8.821 2.107 ( 2.385 1.998 -5.295) 6.141 2.107 ( 2.385 1.998 5.295) 6.141 2.187 ( 0.029 3.678 -7.997) 8.802 2.187 ( 0.029 3.678 7.997) 8.802 2.441 ( -2.586 5.566 -2.883) 6.781 2.441 ( -2.586 5.566 2.883) 6.781 2.553 ( 1.412 2.575 -2.089) 3.604 2.553 ( 1.412 2.575 2.089) 3.604 2.973 ( 0.049 3.594 -0.195) 3.599 2.973 ( 0.049 3.594 0.195) 3.599 3.040 ( -0.086 1.781 -1.824) 2.550 3.040 ( -0.086 1.781 1.824) 2.551 3.318 ( 2.025 -0.445 -3.486) 4.056 3.318 ( 2.025 -0.445 3.486) 4.056 3.501 ( -3.093 3.698 -3.774) 6.123 3.501 ( -3.093 3.698 3.774) 6.123 3.824 ( 3.554 0.720 -2.975) 4.691 3.824 ( 3.554 0.720 2.975) 4.691 3.951 ( -2.005 6.359 -1.876) 6.926 3.951 ( -2.005 6.359 1.876) 6.926 6.500 ( 0.120 1.739 -1.712) 2.443 6.500 ( 0.120 1.739 1.712) 2.443 6.645 ( -0.031 -2.029 -1.443) 2.490 6.645 ( -0.031 -2.029 1.443) 2.490 7.013 ( -1.094 -1.381 -3.468) 3.890 7.013 ( -1.094 -1.381 3.468) 3.890 7.232 ( 2.792 0.810 -1.058) 3.094 7.232 ( 2.792 0.810 1.058) 3.094 7.414 ( -1.725 4.325 -0.448) 4.678 7.414 ( -1.725 4.325 0.448) 4.678 7.636 ( -1.315 9.069 -1.458) 9.279 7.636 ( -1.315 9.069 1.458) 9.279 7.862 ( 2.259 -0.962 -1.697) 2.985 7.862 ( 2.259 -0.962 1.697) 2.985 8.251 ( -0.655 19.476 -3.804) 19.855 8.251 ( -0.655 19.476 3.804) 19.855 8.649 ( -0.461 13.536 -1.026) 13.582 8.649 ( -0.461 13.536 1.026) 13.582 9.274 ( 0.084 -3.596 -0.024) 3.597 9.274 ( 0.084 -3.596 0.024) 3.597 10.138 ( 0.629 -3.647 -2.211) 4.311 10.138 ( 0.629 -3.647 2.211) 4.311 10.191 ( -0.538 -5.121 -3.399) 6.170 10.191 ( -0.538 -5.121 3.399) 6.170 ======================= Grid point 294 (96/105) ======================= q-point: (-0.50 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.000 3.600 -0.000) 3.600 1.670 ( 0.000 3.600 0.000) 3.600 1.749 ( -0.000 7.851 -0.000) 7.851 1.749 ( -0.000 7.851 0.000) 7.851 2.135 ( 0.000 5.941 -0.000) 5.941 2.135 ( 0.000 5.941 0.000) 5.941 2.188 ( 0.000 -1.079 -0.000) 1.079 2.188 ( 0.000 -1.079 0.000) 1.079 2.412 ( 0.000 6.705 -0.000) 6.705 2.412 ( 0.000 6.705 0.000) 6.705 2.567 ( 0.000 2.507 0.000) 2.507 2.567 ( 0.000 2.507 0.000) 2.507 2.974 ( 0.000 3.514 0.000) 3.514 2.974 ( 0.000 3.514 0.000) 3.514 3.038 ( 0.000 2.266 -0.000) 2.266 3.038 ( 0.000 2.266 0.000) 2.266 3.348 ( 0.000 1.042 -0.000) 1.042 3.348 ( -0.000 1.042 0.000) 1.042 3.460 ( 0.000 -0.325 0.000) 0.325 3.460 ( 0.000 -0.325 0.000) 0.325 3.889 ( -0.000 7.473 -0.000) 7.473 3.889 ( 0.000 7.473 -0.000) 7.473 3.904 ( -0.000 1.548 0.000) 1.548 3.904 ( 0.000 1.548 0.000) 1.548 6.501 ( 0.000 1.890 0.000) 1.890 6.501 ( 0.000 1.890 0.000) 1.890 6.645 ( 0.000 -2.068 0.000) 2.068 6.645 ( 0.000 -2.068 0.000) 2.068 7.001 ( 0.000 -1.772 0.000) 1.772 7.001 ( 0.000 -1.772 0.000) 1.772 7.269 ( 0.000 2.150 -0.000) 2.150 7.269 ( 0.000 2.150 0.000) 2.150 7.388 ( 0.000 3.058 0.000) 3.058 7.388 ( 0.000 3.058 0.000) 3.058 7.622 ( 0.000 8.149 0.000) 8.149 7.622 ( 0.000 8.149 0.000) 8.149 7.888 ( 0.000 -0.206 0.000) 0.206 7.888 ( 0.000 -0.206 0.000) 0.206 8.243 ( 0.000 20.178 0.000) 20.178 8.243 ( 0.000 20.178 0.000) 20.178 8.643 ( 0.000 13.190 0.000) 13.190 8.643 ( 0.000 13.190 0.000) 13.190 9.275 ( 0.000 -3.743 0.000) 3.743 9.275 ( 0.000 -3.743 0.000) 3.743 10.147 ( 0.000 -2.761 -0.000) 2.761 10.147 ( 0.000 -2.761 0.000) 2.761 10.183 ( 0.000 -5.827 -0.000) 5.827 10.183 ( 0.000 -5.827 0.000) 5.827 ======================= Grid point 300 (97/105) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.000 4.897 -3.556) 6.052 1.748 ( 0.000 4.897 3.556) 6.052 1.950 ( 0.000 5.826 -4.513) 7.370 1.950 ( 0.000 5.826 4.513) 7.370 2.092 ( 0.000 1.487 -3.461) 3.767 2.092 ( 0.000 1.487 3.461) 3.767 2.242 ( 0.000 1.001 -2.412) 2.611 2.242 ( 0.000 1.001 2.412) 2.611 2.535 ( 0.000 1.234 -4.228) 4.404 2.535 ( 0.000 1.234 4.228) 4.404 2.580 ( 0.000 2.095 -2.409) 3.192 2.580 ( 0.000 2.094 2.409) 3.192 2.999 ( 0.000 -0.986 -1.269) 1.607 2.999 ( 0.000 -0.986 1.269) 1.607 3.057 ( 0.000 0.659 -2.174) 2.272 3.057 ( 0.000 0.659 2.174) 2.272 3.262 ( 0.000 -2.263 -3.751) 4.380 3.262 ( 0.000 -2.263 3.751) 4.380 3.606 ( 0.000 -4.618 -6.128) 7.673 3.606 ( 0.000 -4.618 6.128) 7.673 3.824 ( 0.000 10.809 -2.665) 11.133 3.824 ( 0.000 10.809 2.665) 11.133 4.176 ( 0.000 11.740 -1.009) 11.784 4.176 ( 0.000 11.740 1.009) 11.784 6.526 ( 0.000 1.068 -1.693) 2.001 6.526 ( 0.000 1.068 1.693) 2.001 6.619 ( 0.000 -0.591 -1.971) 2.058 6.619 ( 0.000 -0.591 1.971) 2.058 7.010 ( 0.000 -0.712 -5.249) 5.297 7.010 ( 0.000 -0.712 5.249) 5.297 7.183 ( 0.000 -1.310 -2.166) 2.531 7.183 ( 0.000 -1.310 2.166) 2.531 7.498 ( 0.000 2.510 -1.264) 2.810 7.498 ( 0.000 2.510 1.264) 2.810 7.779 ( 0.000 -2.635 -1.325) 2.949 7.779 ( 0.000 -2.635 1.325) 2.949 7.887 ( 0.000 11.625 -0.214) 11.627 7.887 ( 0.000 11.625 0.214) 11.627 8.541 ( 0.000 8.920 -5.233) 10.342 8.541 ( 0.000 8.920 5.233) 10.342 8.898 ( 0.000 9.752 -0.312) 9.757 8.898 ( 0.000 9.752 0.312) 9.757 9.240 ( 0.000 0.449 -0.189) 0.487 9.240 ( 0.000 0.449 0.189) 0.487 10.041 ( 0.000 -4.701 -2.056) 5.131 10.041 ( 0.000 -4.701 2.056) 5.131 10.123 ( 0.000 -2.703 -2.800) 3.892 10.123 ( 0.000 -2.703 2.800) 3.892 ======================= Grid point 302 (98/105) ======================= q-point: ( 0.25 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -0.078 4.489 -2.779) 5.280 1.747 ( -0.078 4.489 2.779) 5.280 1.921 ( -2.090 6.229 -3.978) 7.681 1.921 ( -2.090 6.229 3.978) 7.681 2.132 ( 3.218 1.462 -2.453) 4.303 2.132 ( 3.218 1.462 2.453) 4.303 2.230 ( -1.240 1.113 -2.650) 3.131 2.230 ( -1.240 1.113 2.650) 3.131 2.527 ( -0.683 2.580 -2.852) 3.906 2.527 ( -0.683 2.580 2.852) 3.906 2.581 ( 0.059 0.641 -1.364) 1.509 2.581 ( 0.059 0.641 1.364) 1.509 3.009 ( 0.756 0.072 -0.425) 0.870 3.009 ( 0.756 0.072 0.425) 0.870 3.061 ( 0.450 0.470 -1.982) 2.086 3.061 ( 0.450 0.470 1.982) 2.086 3.285 ( 2.588 -2.515 -3.885) 5.302 3.285 ( 2.588 -2.515 3.885) 5.302 3.510 ( -7.229 -3.327 -5.153) 9.481 3.510 ( -7.229 -3.327 5.153) 9.481 3.917 ( 6.999 9.351 -2.981) 12.055 3.917 ( 6.999 9.351 2.981) 12.055 4.146 ( -3.088 11.437 -1.488) 11.940 4.146 ( -3.088 11.437 1.488) 11.940 6.532 ( 0.500 1.368 -1.385) 2.010 6.532 ( 0.500 1.368 1.385) 2.010 6.616 ( -0.284 -0.846 -1.577) 1.812 6.616 ( -0.284 -0.846 1.577) 1.812 6.991 ( -1.368 -0.643 -3.246) 3.581 6.991 ( -1.368 -0.643 3.246) 3.581 7.218 ( 2.814 -1.883 -1.473) 3.692 7.218 ( 2.814 -1.883 1.473) 3.692 7.477 ( -1.918 2.744 -1.387) 3.624 7.477 ( -1.918 2.744 1.387) 3.624 7.751 ( -1.746 0.339 -0.817) 1.957 7.751 ( -1.746 0.339 0.817) 1.957 7.927 ( 2.753 8.834 -0.811) 9.289 7.927 ( 2.753 8.834 0.811) 9.289 8.541 ( 0.068 9.109 -3.898) 9.908 8.541 ( 0.068 9.109 3.898) 9.908 8.890 ( -0.660 10.090 -0.511) 10.125 8.890 ( -0.660 10.090 0.511) 10.125 9.233 ( -0.535 -0.322 -0.276) 0.683 9.233 ( -0.535 -0.322 0.276) 0.683 10.055 ( 1.267 -4.492 -2.189) 5.154 10.055 ( 1.267 -4.492 2.189) 5.154 10.114 ( -0.823 -2.645 -2.660) 3.841 10.114 ( -0.823 -2.645 2.660) 3.841 ======================= Grid point 304 (99/105) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.000 3.988 -0.000) 3.988 1.747 ( 0.000 3.988 -0.000) 3.988 1.898 ( -0.000 6.841 0.000) 6.841 1.898 ( 0.000 6.841 0.000) 6.841 2.184 ( -0.000 0.822 -0.000) 0.822 2.184 ( -0.000 0.822 0.000) 0.822 2.200 ( 0.000 1.710 -0.000) 1.710 2.200 ( 0.000 1.710 0.000) 1.710 2.519 ( 0.000 3.546 0.000) 3.546 2.519 ( 0.000 3.546 0.000) 3.546 2.582 ( 0.000 -0.398 -0.000) 0.398 2.582 ( 0.000 -0.398 -0.000) 0.398 3.017 ( -0.000 0.974 -0.000) 0.974 3.017 ( 0.000 0.974 0.000) 0.974 3.068 ( 0.000 0.465 0.000) 0.465 3.068 ( 0.000 0.465 0.000) 0.465 3.344 ( -0.000 -1.574 -0.000) 1.574 3.344 ( 0.000 -1.574 -0.000) 1.574 3.403 ( -0.000 -4.784 -0.000) 4.784 3.403 ( 0.000 -4.784 0.000) 4.784 4.020 ( -0.000 9.305 -0.000) 9.305 4.020 ( 0.000 9.305 -0.000) 9.305 4.083 ( -0.000 11.230 0.000) 11.230 4.083 ( 0.000 11.230 0.000) 11.230 6.539 ( -0.000 1.766 -0.000) 1.766 6.539 ( 0.000 1.766 0.000) 1.766 6.612 ( 0.000 -1.199 0.000) 1.199 6.612 ( 0.000 -1.199 0.000) 1.199 6.976 ( 0.000 -0.614 0.000) 0.614 6.976 ( 0.000 -0.614 0.000) 0.614 7.253 ( 0.000 -2.756 0.000) 2.756 7.253 ( 0.000 -2.756 0.000) 2.756 7.451 ( 0.000 3.347 0.000) 3.347 7.451 ( 0.000 3.347 0.000) 3.347 7.733 ( 0.000 1.396 0.000) 1.396 7.733 ( 0.000 1.396 0.000) 1.396 7.957 ( -0.000 7.922 0.000) 7.922 7.957 ( 0.000 7.922 0.000) 7.922 8.542 ( -0.000 9.317 -0.000) 9.317 8.542 ( 0.000 9.317 -0.000) 9.317 8.882 ( -0.000 10.399 0.000) 10.399 8.882 ( 0.000 10.399 0.000) 10.399 9.227 ( 0.000 -1.065 0.000) 1.065 9.227 ( 0.000 -1.065 0.000) 1.065 10.075 ( 0.000 -4.728 0.000) 4.728 10.075 ( -0.000 -4.728 0.000) 4.728 10.099 ( 0.000 -2.153 -0.000) 2.153 10.099 ( 0.000 -2.153 0.000) 2.153 ======================= Grid point 310 (100/105) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 0.000 4.547 -1.510) 4.791 1.840 ( 0.000 4.547 1.510) 4.791 2.042 ( 0.000 2.748 -4.572) 5.335 2.042 ( 0.000 2.748 4.572) 5.335 2.126 ( 0.000 1.750 -3.296) 3.732 2.126 ( 0.000 1.750 3.296) 3.732 2.261 ( 0.000 1.274 -1.397) 1.891 2.261 ( 0.000 1.274 1.397) 1.891 2.557 ( 0.000 0.886 -3.084) 3.209 2.557 ( 0.000 0.886 3.084) 3.209 2.592 ( 0.000 -0.569 -3.908) 3.949 2.592 ( 0.000 -0.569 3.908) 3.949 2.960 ( 0.000 -2.140 -2.750) 3.484 2.960 ( 0.000 -2.140 2.750) 3.484 3.068 ( 0.000 0.518 -1.082) 1.199 3.068 ( 0.000 0.518 1.082) 1.199 3.218 ( 0.000 -2.018 -2.692) 3.364 3.218 ( 0.000 -2.018 2.692) 3.364 3.486 ( 0.000 -6.061 -3.648) 7.074 3.486 ( 0.000 -6.061 3.648) 7.074 4.058 ( 0.000 10.725 -0.306) 10.729 4.058 ( 0.000 10.725 0.306) 10.729 4.394 ( 0.000 9.396 -0.854) 9.434 4.394 ( 0.000 9.396 0.854) 9.434 6.539 ( 0.000 0.237 -0.865) 0.897 6.539 ( 0.000 0.237 0.865) 0.897 6.619 ( 0.000 0.347 -1.214) 1.262 6.619 ( 0.000 0.347 1.214) 1.262 7.005 ( 0.000 0.226 -4.099) 4.105 7.005 ( 0.000 0.226 4.099) 4.105 7.150 ( 0.000 -1.862 -1.204) 2.218 7.150 ( 0.000 -1.862 1.204) 2.218 7.547 ( 0.000 2.499 -1.919) 3.151 7.547 ( 0.000 2.499 1.919) 3.151 7.724 ( 0.000 -2.809 -0.120) 2.812 7.724 ( 0.000 -2.809 0.120) 2.812 8.108 ( 0.000 10.441 -0.182) 10.443 8.108 ( 0.000 10.441 0.182) 10.443 8.614 ( 0.000 -0.849 -3.464) 3.567 8.614 ( 0.000 -0.849 3.464) 3.567 9.030 ( 0.000 4.077 -0.021) 4.077 9.030 ( 0.000 4.077 0.021) 4.077 9.285 ( 0.000 3.185 -0.527) 3.228 9.285 ( 0.000 3.185 0.527) 3.228 9.961 ( 0.000 -3.140 -1.360) 3.422 9.961 ( 0.000 -3.140 1.360) 3.422 10.080 ( 0.000 -1.766 -1.644) 2.413 10.080 ( 0.000 -1.766 1.644) 2.413 ======================= Grid point 312 (101/105) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -0.304 4.761 -1.066) 4.889 1.837 ( -0.304 4.761 1.066) 4.889 2.025 ( -1.116 3.876 -2.800) 4.910 2.025 ( -1.116 3.876 2.800) 4.910 2.159 ( 2.744 0.771 -3.657) 4.637 2.159 ( 2.744 0.771 3.657) 4.637 2.248 ( -1.300 0.953 -1.677) 2.326 2.248 ( -1.300 0.953 1.677) 2.326 2.558 ( 0.165 0.847 -3.364) 3.473 2.558 ( 0.165 0.847 3.364) 3.473 2.582 ( -0.881 -0.372 -3.940) 4.054 2.582 ( -0.881 -0.372 3.940) 4.054 2.989 ( 2.522 -1.601 -1.877) 3.528 2.989 ( 2.522 -1.601 1.877) 3.528 3.065 ( -0.350 0.081 -1.152) 1.206 3.065 ( -0.350 0.081 1.152) 1.206 3.234 ( 1.932 -2.342 -2.617) 4.008 3.234 ( 1.932 -2.342 2.617) 4.008 3.417 ( -6.040 -4.967 -3.049) 8.394 3.417 ( -6.040 -4.967 3.049) 8.394 4.125 ( 6.008 9.981 -0.879) 11.683 4.125 ( 6.008 9.981 0.879) 11.683 4.360 ( -3.440 9.275 -0.939) 9.937 4.360 ( -3.440 9.275 0.939) 9.937 6.550 ( 1.106 0.455 -0.899) 1.496 6.550 ( 1.106 0.455 0.899) 1.496 6.611 ( -0.842 0.152 -1.137) 1.423 6.611 ( -0.842 0.152 1.137) 1.423 6.992 ( -0.985 0.775 -2.706) 2.982 6.992 ( -0.985 0.775 2.706) 2.982 7.166 ( 1.247 -3.081 -0.838) 3.428 7.166 ( 1.247 -3.081 0.838) 3.428 7.534 ( -1.072 3.039 -1.695) 3.641 7.534 ( -1.072 3.039 1.695) 3.641 7.720 ( -0.342 -2.446 -0.171) 2.476 7.720 ( -0.342 -2.446 0.171) 2.476 8.129 ( 1.732 10.372 -0.360) 10.522 8.129 ( 1.732 10.372 0.360) 10.522 8.614 ( -0.025 -1.117 -2.574) 2.806 8.614 ( -0.025 -1.117 2.574) 2.806 9.039 ( 0.808 5.095 -0.255) 5.165 9.039 ( 0.808 5.095 0.255) 5.165 9.255 ( -2.568 1.849 -0.861) 3.280 9.255 ( -2.568 1.849 0.861) 3.280 9.981 ( 1.787 -2.677 -1.401) 3.510 9.981 ( 1.787 -2.677 1.401) 3.510 10.071 ( -0.837 -1.874 -1.521) 2.554 10.071 ( -0.837 -1.874 1.521) 2.554 ======================= Grid point 314 (102/105) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.000 4.991 0.000) 4.991 1.833 ( 0.000 4.991 0.000) 4.991 2.013 ( -0.000 4.567 -0.000) 4.567 2.013 ( 0.000 4.567 0.000) 4.567 2.210 ( -0.000 -0.734 -0.000) 0.734 2.210 ( 0.000 -0.734 0.000) 0.734 2.213 ( 0.000 1.558 -0.000) 1.558 2.213 ( -0.000 1.558 0.000) 1.558 2.563 ( 0.000 1.251 0.000) 1.251 2.563 ( -0.000 1.251 0.000) 1.251 2.568 ( 0.000 -0.602 -0.000) 0.602 2.568 ( -0.000 -0.602 -0.000) 0.602 3.024 ( -0.000 -0.034 0.000) 0.034 3.024 ( -0.000 -0.034 0.000) 0.034 3.057 ( 0.000 -1.271 0.000) 1.271 3.057 ( 0.000 -1.271 0.000) 1.271 3.297 ( -0.000 -2.735 0.000) 2.735 3.297 ( 0.000 -2.735 -0.000) 2.735 3.306 ( -0.000 -4.250 -0.000) 4.250 3.306 ( 0.000 -4.250 0.000) 4.250 4.222 ( -0.000 9.896 -0.000) 9.896 4.222 ( 0.000 9.896 -0.000) 9.896 4.292 ( -0.000 8.830 0.000) 8.830 4.292 ( 0.000 8.830 0.000) 8.830 6.568 ( -0.000 1.141 -0.000) 1.141 6.568 ( 0.000 1.141 0.000) 1.141 6.596 ( 0.000 -0.511 0.000) 0.511 6.596 ( 0.000 -0.511 0.000) 0.511 6.981 ( 0.000 1.166 0.000) 1.166 6.981 ( 0.000 1.166 0.000) 1.166 7.181 ( 0.000 -4.228 -0.000) 4.228 7.181 ( 0.000 -4.228 0.000) 4.228 7.521 ( 0.000 3.679 0.000) 3.679 7.521 ( 0.000 3.679 0.000) 3.679 7.716 ( -0.000 -2.162 0.000) 2.162 7.716 ( 0.000 -2.162 0.000) 2.162 8.150 ( -0.000 10.389 0.000) 10.389 8.150 ( 0.000 10.389 0.000) 10.389 8.614 ( -0.000 -1.413 -0.000) 1.413 8.614 ( 0.000 -1.413 0.000) 1.413 9.050 ( -0.000 6.676 0.000) 6.676 9.050 ( 0.000 6.676 0.000) 6.676 9.222 ( -0.000 0.002 0.000) 0.002 9.222 ( 0.000 0.002 0.000) 0.002 10.006 ( 0.000 -2.103 0.000) 2.103 10.006 ( 0.000 -2.103 0.000) 2.103 10.057 ( 0.000 -2.138 0.000) 2.138 10.057 ( 0.000 -2.138 0.000) 2.138 ======================= Grid point 320 (103/105) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 0.000 4.187 -0.385) 4.205 1.931 ( 0.000 4.187 0.385) 4.205 2.038 ( 0.000 -2.392 -0.284) 2.409 2.038 ( 0.000 -2.392 0.284) 2.409 2.164 ( 0.000 1.496 -0.623) 1.620 2.164 ( 0.000 1.496 0.623) 1.620 2.286 ( 0.000 0.899 -0.713) 1.147 2.286 ( 0.000 0.899 0.713) 1.147 2.560 ( 0.000 -0.436 -0.706) 0.830 2.560 ( 0.000 -0.436 0.706) 0.830 2.584 ( 0.000 0.079 -2.355) 2.356 2.584 ( 0.000 0.079 2.355) 2.356 2.931 ( 0.000 -0.697 -1.238) 1.420 2.931 ( 0.000 -0.696 1.238) 1.420 3.077 ( 0.000 0.287 -0.607) 0.671 3.077 ( 0.000 0.287 0.607) 0.671 3.188 ( 0.000 -0.854 -1.161) 1.442 3.188 ( 0.000 -0.854 1.161) 1.442 3.393 ( 0.000 -2.718 -1.293) 3.010 3.393 ( 0.000 -2.718 1.293) 3.010 4.211 ( 0.000 4.190 -0.032) 4.190 4.211 ( 0.000 4.190 0.032) 4.190 4.526 ( 0.000 3.540 -0.327) 3.555 4.526 ( 0.000 3.540 0.327) 3.555 6.541 ( 0.000 0.030 -0.215) 0.217 6.541 ( 0.000 0.030 0.215) 0.217 6.625 ( 0.000 0.189 -0.334) 0.383 6.625 ( 0.000 0.189 0.334) 0.383 7.014 ( 0.000 0.453 -1.752) 1.809 7.014 ( 0.000 0.453 1.752) 1.809 7.118 ( 0.000 -1.063 -0.150) 1.074 7.118 ( 0.000 -1.063 0.150) 1.074 7.595 ( 0.000 2.128 -1.509) 2.609 7.595 ( 0.000 2.128 1.509) 2.609 7.671 ( 0.000 -2.234 -0.864) 2.395 7.671 ( 0.000 -2.234 0.864) 2.395 8.287 ( 0.000 6.668 -0.393) 6.680 8.287 ( 0.000 6.668 0.393) 6.680 8.549 ( 0.000 -4.161 -1.395) 4.389 8.549 ( 0.000 -4.161 1.395) 4.389 9.080 ( 0.000 1.188 -0.187) 1.202 9.080 ( 0.000 1.188 0.187) 1.202 9.333 ( 0.000 1.335 -0.360) 1.383 9.333 ( 0.000 1.335 0.360) 1.383 9.920 ( 0.000 -0.959 -0.411) 1.044 9.920 ( 0.000 -0.959 0.411) 1.044 10.053 ( 0.000 -0.749 -0.563) 0.937 10.053 ( 0.000 -0.749 0.563) 0.937 ======================= Grid point 322 (104/105) ======================= q-point: ( 0.25 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.674 5.182 -0.148) 5.228 1.939 ( 0.674 5.182 0.148) 5.228 2.042 ( 0.369 -2.463 -0.344) 2.514 2.042 ( 0.369 -2.463 0.344) 2.514 2.173 ( 1.011 1.003 -1.052) 1.771 2.173 ( 1.011 1.003 1.052) 1.771 2.263 ( -2.269 0.251 -1.199) 2.579 2.263 ( -2.269 0.251 1.199) 2.579 2.562 ( 0.254 -0.086 -1.192) 1.222 2.562 ( 0.254 -0.086 1.192) 1.222 2.580 ( -0.344 0.134 -2.125) 2.157 2.580 ( -0.344 0.134 2.125) 2.157 2.963 ( 3.061 -0.723 -1.023) 3.307 2.963 ( 3.061 -0.723 1.023) 3.307 3.067 ( -1.170 0.052 -0.577) 1.305 3.067 ( -1.170 0.052 0.577) 1.305 3.200 ( 1.464 -0.921 -1.035) 2.016 3.200 ( 1.464 -0.921 1.035) 2.016 3.341 ( -4.727 -2.258 -1.035) 5.340 3.341 ( -4.727 -2.258 1.035) 5.340 4.271 ( 5.578 4.046 -0.214) 6.894 4.271 ( 5.578 4.046 0.214) 6.894 4.490 ( -3.665 3.478 -0.339) 5.064 4.490 ( -3.665 3.478 0.339) 5.064 6.554 ( 1.374 0.077 -0.252) 1.399 6.554 ( 1.374 0.077 0.252) 1.399 6.615 ( -1.076 0.155 -0.327) 1.135 6.615 ( -1.076 0.155 0.327) 1.135 7.018 ( 0.342 1.456 -1.451) 2.084 7.018 ( 0.342 1.456 1.451) 2.084 7.107 ( -0.955 -2.368 -0.362) 2.579 7.107 ( -0.955 -2.368 0.362) 2.579 7.595 ( -0.048 2.858 -1.328) 3.151 7.595 ( -0.048 2.858 1.328) 3.151 7.667 ( -0.389 -2.658 -0.804) 2.804 7.667 ( -0.389 -2.658 0.804) 2.804 8.317 ( 2.580 7.688 -0.420) 8.120 8.317 ( 2.580 7.688 0.420) 8.120 8.537 ( -1.128 -5.240 -1.132) 5.478 8.537 ( -1.128 -5.240 1.132) 5.478 9.104 ( 2.435 1.582 -0.342) 2.924 9.104 ( 2.435 1.582 0.342) 2.924 9.283 ( -4.577 0.781 -0.566) 4.677 9.283 ( -4.577 0.781 0.566) 4.677 9.950 ( 2.589 -0.647 -0.526) 2.720 9.950 ( 2.589 -0.647 0.526) 2.720 10.042 ( -1.201 -0.883 -0.568) 1.596 10.042 ( -1.201 -0.883 0.568) 1.596 ======================= Grid point 324 (105/105) ======================= q-point: (-0.50 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 0.000 6.213 0.000) 6.213 1.947 ( 0.000 6.213 0.000) 6.213 2.047 ( -0.000 -2.353 0.000) 2.353 2.047 ( 0.000 -2.353 0.000) 2.353 2.197 ( -0.000 0.711 -0.000) 0.711 2.197 ( 0.000 0.711 0.000) 0.711 2.223 ( 0.000 -0.797 0.000) 0.797 2.223 ( 0.000 -0.797 0.000) 0.797 2.567 ( 0.000 0.448 0.000) 0.448 2.567 ( -0.000 0.448 0.000) 0.448 2.575 ( -0.000 -0.026 -0.000) 0.026 2.575 ( 0.000 -0.026 -0.000) 0.026 3.022 ( -0.000 0.039 0.000) 0.039 3.022 ( 0.000 0.039 0.000) 0.039 3.032 ( -0.000 -0.981 0.000) 0.981 3.032 ( 0.000 -0.981 0.000) 0.981 3.250 ( -0.000 -1.364 -0.000) 1.364 3.250 ( 0.001 -1.364 0.000) 1.364 3.252 ( -0.001 -1.448 0.000) 1.448 3.252 ( 0.000 -1.448 -0.000) 1.448 4.377 ( -0.000 5.063 0.000) 5.063 4.377 ( 0.000 5.063 -0.000) 5.063 4.406 ( -0.000 2.305 0.000) 2.305 4.406 ( 0.000 2.305 0.000) 2.305 6.584 ( -0.000 0.469 -0.000) 0.469 6.584 ( 0.000 0.469 -0.000) 0.469 6.590 ( -0.000 -0.223 0.000) 0.223 6.590 ( 0.000 -0.223 0.000) 0.223 7.023 ( 0.000 2.979 0.000) 2.979 7.023 ( 0.000 2.979 0.000) 2.979 7.095 ( 0.000 -4.184 -0.000) 4.184 7.095 ( 0.000 -4.184 0.000) 4.184 7.594 ( -0.000 3.627 0.000) 3.627 7.594 ( 0.000 3.627 0.000) 3.627 7.662 ( -0.000 -3.138 0.000) 3.138 7.662 ( 0.000 -3.138 0.000) 3.138 8.350 ( -0.000 9.595 0.000) 9.595 8.350 ( 0.000 9.595 0.000) 9.595 8.521 ( -0.000 -7.200 0.000) 7.200 8.521 ( 0.000 -7.200 0.000) 7.200 9.154 ( -0.000 3.883 -0.000) 3.883 9.154 ( 0.000 3.883 -0.000) 3.883 9.208 ( -0.000 -1.643 0.000) 1.643 9.208 ( 0.000 -1.643 0.000) 1.643 9.991 ( -0.000 0.471 0.000) 0.471 9.991 ( -0.000 0.471 0.000) 0.471 10.016 ( 0.000 -1.858 0.000) 1.858 10.016 ( 0.000 -1.858 0.000) 1.858 =================== 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 3/19968 10.0 988.012 1042.490 860.780 0.000 0.000 -0.000 3/19968 20.0 108.865 160.648 111.522 0.000 0.000 -0.000 3/19968 30.0 38.696 64.200 41.555 0.000 0.000 -0.000 3/19968 40.0 22.012 38.152 24.203 0.000 0.000 -0.000 3/19968 50.0 15.174 26.802 16.868 0.000 0.000 -0.000 3/19968 60.0 11.498 20.478 12.814 0.000 0.000 -0.000 3/19968 70.0 9.211 16.471 10.246 0.000 0.000 -0.000 3/19968 80.0 7.661 13.734 8.488 0.000 0.000 -0.000 3/19968 90.0 6.546 11.764 7.222 0.000 0.000 -0.000 3/19968 100.0 5.711 10.289 6.274 0.000 0.000 -0.000 3/19968 110.0 5.065 9.148 5.542 0.000 0.000 -0.000 3/19968 120.0 4.550 8.241 4.962 0.000 0.000 -0.000 3/19968 130.0 4.132 7.503 4.493 0.000 0.000 -0.000 3/19968 140.0 3.785 6.891 4.105 0.000 0.000 -0.000 3/19968 150.0 3.493 6.375 3.781 0.000 0.000 -0.000 3/19968 160.0 3.244 5.934 3.505 0.000 0.000 -0.000 3/19968 170.0 3.029 5.552 3.267 0.000 0.000 -0.000 3/19968 180.0 2.841 5.218 3.061 0.000 0.000 -0.000 3/19968 190.0 2.676 4.924 2.880 0.000 0.000 -0.000 3/19968 200.0 2.529 4.662 2.719 0.000 0.000 -0.000 3/19968 210.0 2.398 4.427 2.577 0.000 0.000 -0.000 3/19968 220.0 2.281 4.216 2.448 0.000 0.000 -0.000 3/19968 230.0 2.174 4.024 2.333 0.000 0.000 -0.000 3/19968 240.0 2.078 3.850 2.228 0.000 0.000 -0.000 3/19968 250.0 1.989 3.690 2.132 0.000 0.000 -0.000 3/19968 260.0 1.908 3.544 2.044 0.000 0.000 -0.000 3/19968 270.0 1.834 3.408 1.964 0.000 0.000 -0.000 3/19968 280.0 1.765 3.283 1.890 0.000 0.000 -0.000 3/19968 290.0 1.702 3.167 1.821 0.000 0.000 -0.000 3/19968 300.0 1.642 3.059 1.757 0.000 0.000 -0.000 3/19968 310.0 1.587 2.959 1.698 0.000 0.000 -0.000 3/19968 320.0 1.536 2.864 1.642 0.000 0.000 -0.000 3/19968 330.0 1.488 2.776 1.590 0.000 0.000 -0.000 3/19968 340.0 1.442 2.693 1.542 0.000 0.000 -0.000 3/19968 350.0 1.400 2.615 1.496 0.000 0.000 -0.000 3/19968 360.0 1.360 2.542 1.453 0.000 0.000 -0.000 3/19968 370.0 1.322 2.472 1.412 0.000 0.000 -0.000 3/19968 380.0 1.286 2.406 1.374 0.000 0.000 -0.000 3/19968 390.0 1.253 2.344 1.338 0.000 0.000 -0.000 3/19968 400.0 1.221 2.285 1.303 0.000 0.000 -0.000 3/19968 410.0 1.190 2.228 1.271 0.000 0.000 -0.000 3/19968 420.0 1.161 2.175 1.240 0.000 0.000 -0.000 3/19968 430.0 1.134 2.124 1.210 0.000 0.000 -0.000 3/19968 440.0 1.107 2.075 1.182 0.000 0.000 -0.000 3/19968 450.0 1.082 2.029 1.155 0.000 0.000 -0.000 3/19968 460.0 1.058 1.984 1.130 0.000 0.000 -0.000 3/19968 470.0 1.035 1.942 1.105 0.000 0.000 -0.000 3/19968 480.0 1.014 1.901 1.082 0.000 0.000 -0.000 3/19968 490.0 0.993 1.862 1.059 0.000 0.000 -0.000 3/19968 500.0 0.972 1.825 1.038 0.000 0.000 -0.000 3/19968 510.0 0.953 1.789 1.017 0.000 0.000 -0.000 3/19968 520.0 0.934 1.754 0.997 0.000 0.000 -0.000 3/19968 530.0 0.917 1.721 0.978 0.000 0.000 -0.000 3/19968 540.0 0.899 1.689 0.960 0.000 0.000 -0.000 3/19968 550.0 0.883 1.658 0.942 0.000 0.000 -0.000 3/19968 560.0 0.867 1.629 0.925 0.000 0.000 -0.000 3/19968 570.0 0.852 1.600 0.909 0.000 0.000 -0.000 3/19968 580.0 0.837 1.572 0.893 0.000 0.000 -0.000 3/19968 590.0 0.822 1.546 0.877 0.000 0.000 -0.000 3/19968 600.0 0.809 1.520 0.863 0.000 0.000 -0.000 3/19968 610.0 0.795 1.495 0.848 0.000 0.000 -0.000 3/19968 620.0 0.782 1.471 0.834 0.000 0.000 -0.000 3/19968 630.0 0.770 1.447 0.821 0.000 0.000 -0.000 3/19968 640.0 0.758 1.425 0.808 0.000 0.000 -0.000 3/19968 650.0 0.746 1.403 0.796 0.000 0.000 -0.000 3/19968 660.0 0.734 1.381 0.783 0.000 0.000 -0.000 3/19968 670.0 0.723 1.361 0.772 0.000 0.000 -0.000 3/19968 680.0 0.713 1.341 0.760 0.000 0.000 -0.000 3/19968 690.0 0.702 1.321 0.749 0.000 0.000 -0.000 3/19968 700.0 0.692 1.302 0.738 0.000 0.000 -0.000 3/19968 710.0 0.682 1.284 0.728 0.000 0.000 -0.000 3/19968 720.0 0.673 1.266 0.718 0.000 0.000 -0.000 3/19968 730.0 0.664 1.249 0.708 0.000 0.000 -0.000 3/19968 740.0 0.655 1.232 0.698 0.000 0.000 -0.000 3/19968 750.0 0.646 1.215 0.689 0.000 0.000 -0.000 3/19968 760.0 0.637 1.199 0.680 0.000 0.000 -0.000 3/19968 770.0 0.629 1.184 0.671 0.000 0.000 -0.000 3/19968 780.0 0.621 1.169 0.662 0.000 0.000 -0.000 3/19968 790.0 0.613 1.154 0.654 0.000 0.000 -0.000 3/19968 800.0 0.605 1.139 0.645 0.000 0.000 -0.000 3/19968 810.0 0.598 1.125 0.637 0.000 0.000 -0.000 3/19968 820.0 0.590 1.112 0.630 0.000 0.000 -0.000 3/19968 830.0 0.583 1.098 0.622 0.000 0.000 -0.000 3/19968 840.0 0.576 1.085 0.614 0.000 0.000 -0.000 3/19968 850.0 0.569 1.072 0.607 0.000 0.000 -0.000 3/19968 860.0 0.563 1.060 0.600 0.000 0.000 -0.000 3/19968 870.0 0.556 1.048 0.593 0.000 0.000 -0.000 3/19968 880.0 0.550 1.036 0.586 0.000 0.000 -0.000 3/19968 890.0 0.544 1.024 0.580 0.000 0.000 -0.000 3/19968 900.0 0.538 1.013 0.573 0.000 0.000 -0.000 3/19968 910.0 0.532 1.002 0.567 0.000 0.000 -0.000 3/19968 920.0 0.526 0.991 0.561 0.000 0.000 -0.000 3/19968 930.0 0.520 0.980 0.555 0.000 0.000 -0.000 3/19968 940.0 0.515 0.970 0.549 0.000 0.000 -0.000 3/19968 950.0 0.509 0.960 0.543 0.000 0.000 -0.000 3/19968 960.0 0.504 0.950 0.537 0.000 0.000 -0.000 3/19968 970.0 0.499 0.940 0.532 0.000 0.000 -0.000 3/19968 980.0 0.494 0.930 0.526 0.000 0.000 -0.000 3/19968 990.0 0.489 0.921 0.521 0.000 0.000 -0.000 3/19968 1000.0 0.484 0.912 0.516 0.000 0.000 -0.000 3/19968 Thermal conductivity related properties were written into "kappa-m4138.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:06:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|