----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:58:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 4 1] 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 5.806946250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.325671090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.280160309999999 Atomic positions (fractional): *1 O 0.23809907377300 0.25000000000000 0.96066183870470 15.999 2 O 0.76190092622700 0.75000000000000 0.03933816129530 15.999 3 O 0.73809907377300 0.25000000000000 0.53933816129530 15.999 4 O 0.26190092622700 0.75000000000000 0.46066183870470 15.999 *5 O 0.44451776834742 0.25000000000000 0.24117881311500 15.999 6 O 0.05548223165258 0.75000000000000 0.74117881311500 15.999 7 O 0.94451776834742 0.25000000000000 0.25882118688500 15.999 8 O 0.55548223165258 0.75000000000000 0.75882118688500 15.999 *9 Zn 0.80042249597627 0.75000000000000 0.62915161322821 65.380 10 Zn 0.30042249597627 0.75000000000000 0.87084838677179 65.380 11 Zn 0.19957750402373 0.25000000000000 0.37084838677179 65.380 12 Zn 0.69957750402373 0.25000000000000 0.12915161322821 65.380 *13 Sr 0.31485063382349 0.25000000000000 0.63235053406385 87.620 14 Sr 0.68514936617651 0.75000000000000 0.36764946593615 87.620 15 Sr 0.81485063382349 0.25000000000000 0.86764946593615 87.620 16 Sr 0.18514936617651 0.75000000000000 0.13235053406385 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.806946250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.325671090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.280160309999999 Atomic positions (fractional): *1 O 0.23809907377300 0.25000000000000 0.96066183870470 15.999 > 1 2 O 0.76190092622700 0.75000000000000 0.03933816129530 15.999 > 2 3 O 0.73809907377300 0.25000000000000 0.53933816129530 15.999 > 3 4 O 0.26190092622700 0.75000000000000 0.46066183870470 15.999 > 4 *5 O 0.44451776834742 0.25000000000000 0.24117881311500 15.999 > 5 6 O 0.05548223165258 0.75000000000000 0.74117881311500 15.999 > 6 7 O 0.94451776834742 0.25000000000000 0.25882118688500 15.999 > 7 8 O 0.55548223165258 0.75000000000000 0.75882118688500 15.999 > 8 *9 Zn 0.80042249597627 0.75000000000000 0.62915161322821 65.380 > 9 10 Zn 0.30042249597627 0.75000000000000 0.87084838677179 65.380 > 10 11 Zn 0.19957750402373 0.25000000000000 0.37084838677179 65.380 > 11 12 Zn 0.69957750402373 0.25000000000000 0.12915161322821 65.380 > 12 *13 Sr 0.31485063382349 0.25000000000000 0.63235053406385 87.620 > 13 14 Sr 0.68514936617651 0.75000000000000 0.36764946593615 87.620 > 14 15 Sr 0.81485063382349 0.25000000000000 0.86764946593615 87.620 > 15 16 Sr 0.18514936617651 0.75000000000000 0.13235053406385 87.620 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.613892500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.302684360000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.280160309999999 Atomic positions (fractional): *1 O 0.11904953688650 0.06250000000000 0.96066183870470 15.999 > 1 2 O 0.61904953688650 0.06250000000000 0.96066183870470 15.999 > 1 3 O 0.11904953688650 0.31250000000000 0.96066183870470 15.999 > 1 4 O 0.61904953688650 0.31250000000000 0.96066183870470 15.999 > 1 5 O 0.11904953688650 0.56250000000000 0.96066183870470 15.999 > 1 6 O 0.61904953688650 0.56250000000000 0.96066183870470 15.999 > 1 7 O 0.11904953688650 0.81250000000000 0.96066183870470 15.999 > 1 8 O 0.61904953688650 0.81250000000000 0.96066183870470 15.999 > 1 9 O 0.38095046311350 0.18750000000000 0.03933816129530 15.999 > 2 10 O 0.88095046311350 0.18750000000000 0.03933816129530 15.999 > 2 11 O 0.38095046311350 0.43750000000000 0.03933816129530 15.999 > 2 12 O 0.88095046311350 0.43750000000000 0.03933816129530 15.999 > 2 13 O 0.38095046311350 0.68750000000000 0.03933816129530 15.999 > 2 14 O 0.88095046311350 0.68750000000000 0.03933816129530 15.999 > 2 15 O 0.38095046311350 0.93750000000000 0.03933816129530 15.999 > 2 16 O 0.88095046311350 0.93750000000000 0.03933816129530 15.999 > 2 17 O 0.36904953688650 0.06250000000000 0.53933816129530 15.999 > 3 18 O 0.86904953688650 0.06250000000000 0.53933816129530 15.999 > 3 19 O 0.36904953688650 0.31250000000000 0.53933816129530 15.999 > 3 20 O 0.86904953688650 0.31250000000000 0.53933816129530 15.999 > 3 21 O 0.36904953688650 0.56250000000000 0.53933816129530 15.999 > 3 22 O 0.86904953688650 0.56250000000000 0.53933816129530 15.999 > 3 23 O 0.36904953688650 0.81250000000000 0.53933816129530 15.999 > 3 24 O 0.86904953688650 0.81250000000000 0.53933816129530 15.999 > 3 25 O 0.13095046311350 0.18750000000000 0.46066183870470 15.999 > 4 26 O 0.63095046311350 0.18750000000000 0.46066183870470 15.999 > 4 27 O 0.13095046311350 0.43750000000000 0.46066183870470 15.999 > 4 28 O 0.63095046311350 0.43750000000000 0.46066183870470 15.999 > 4 29 O 0.13095046311350 0.68750000000000 0.46066183870470 15.999 > 4 30 O 0.63095046311350 0.68750000000000 0.46066183870470 15.999 > 4 31 O 0.13095046311350 0.93750000000000 0.46066183870470 15.999 > 4 32 O 0.63095046311350 0.93750000000000 0.46066183870470 15.999 > 4 *33 O 0.22225888417371 0.06250000000000 0.24117881311500 15.999 > 5 34 O 0.72225888417371 0.06250000000000 0.24117881311500 15.999 > 5 35 O 0.22225888417371 0.31250000000000 0.24117881311500 15.999 > 5 36 O 0.72225888417371 0.31250000000000 0.24117881311500 15.999 > 5 37 O 0.22225888417371 0.56250000000000 0.24117881311500 15.999 > 5 38 O 0.72225888417371 0.56250000000000 0.24117881311500 15.999 > 5 39 O 0.22225888417371 0.81250000000000 0.24117881311500 15.999 > 5 40 O 0.72225888417371 0.81250000000000 0.24117881311500 15.999 > 5 41 O 0.02774111582629 0.18750000000000 0.74117881311500 15.999 > 6 42 O 0.52774111582629 0.18750000000000 0.74117881311500 15.999 > 6 43 O 0.02774111582629 0.43750000000000 0.74117881311500 15.999 > 6 44 O 0.52774111582629 0.43750000000000 0.74117881311500 15.999 > 6 45 O 0.02774111582629 0.68750000000000 0.74117881311500 15.999 > 6 46 O 0.52774111582629 0.68750000000000 0.74117881311500 15.999 > 6 47 O 0.02774111582629 0.93750000000000 0.74117881311500 15.999 > 6 48 O 0.52774111582629 0.93750000000000 0.74117881311500 15.999 > 6 49 O 0.47225888417371 0.06250000000000 0.25882118688500 15.999 > 7 50 O 0.97225888417371 0.06250000000000 0.25882118688500 15.999 > 7 51 O 0.47225888417371 0.31250000000000 0.25882118688500 15.999 > 7 52 O 0.97225888417371 0.31250000000000 0.25882118688500 15.999 > 7 53 O 0.47225888417371 0.56250000000000 0.25882118688500 15.999 > 7 54 O 0.97225888417371 0.56250000000000 0.25882118688500 15.999 > 7 55 O 0.47225888417371 0.81250000000000 0.25882118688500 15.999 > 7 56 O 0.97225888417371 0.81250000000000 0.25882118688500 15.999 > 7 57 O 0.27774111582629 0.18750000000000 0.75882118688500 15.999 > 8 58 O 0.77774111582629 0.18750000000000 0.75882118688500 15.999 > 8 59 O 0.27774111582629 0.43750000000000 0.75882118688500 15.999 > 8 60 O 0.77774111582629 0.43750000000000 0.75882118688500 15.999 > 8 61 O 0.27774111582629 0.68750000000000 0.75882118688500 15.999 > 8 62 O 0.77774111582629 0.68750000000000 0.75882118688500 15.999 > 8 63 O 0.27774111582629 0.93750000000000 0.75882118688500 15.999 > 8 64 O 0.77774111582629 0.93750000000000 0.75882118688500 15.999 > 8 *65 Zn 0.40021124798813 0.18750000000000 0.62915161322821 65.380 > 9 66 Zn 0.90021124798813 0.18750000000000 0.62915161322821 65.380 > 9 67 Zn 0.40021124798813 0.43750000000000 0.62915161322821 65.380 > 9 68 Zn 0.90021124798813 0.43750000000000 0.62915161322821 65.380 > 9 69 Zn 0.40021124798813 0.68750000000000 0.62915161322821 65.380 > 9 70 Zn 0.90021124798813 0.68750000000000 0.62915161322821 65.380 > 9 71 Zn 0.40021124798813 0.93750000000000 0.62915161322821 65.380 > 9 72 Zn 0.90021124798813 0.93750000000000 0.62915161322821 65.380 > 9 73 Zn 0.15021124798813 0.18750000000000 0.87084838677179 65.380 > 10 74 Zn 0.65021124798813 0.18750000000000 0.87084838677179 65.380 > 10 75 Zn 0.15021124798813 0.43750000000000 0.87084838677179 65.380 > 10 76 Zn 0.65021124798813 0.43750000000000 0.87084838677179 65.380 > 10 77 Zn 0.15021124798813 0.68750000000000 0.87084838677179 65.380 > 10 78 Zn 0.65021124798813 0.68750000000000 0.87084838677179 65.380 > 10 79 Zn 0.15021124798813 0.93750000000000 0.87084838677179 65.380 > 10 80 Zn 0.65021124798813 0.93750000000000 0.87084838677179 65.380 > 10 81 Zn 0.09978875201187 0.06250000000000 0.37084838677179 65.380 > 11 82 Zn 0.59978875201187 0.06250000000000 0.37084838677179 65.380 > 11 83 Zn 0.09978875201187 0.31250000000000 0.37084838677179 65.380 > 11 84 Zn 0.59978875201187 0.31250000000000 0.37084838677179 65.380 > 11 85 Zn 0.09978875201187 0.56250000000000 0.37084838677179 65.380 > 11 86 Zn 0.59978875201187 0.56250000000000 0.37084838677179 65.380 > 11 87 Zn 0.09978875201187 0.81250000000000 0.37084838677179 65.380 > 11 88 Zn 0.59978875201187 0.81250000000000 0.37084838677179 65.380 > 11 89 Zn 0.34978875201187 0.06250000000000 0.12915161322821 65.380 > 12 90 Zn 0.84978875201187 0.06250000000000 0.12915161322821 65.380 > 12 91 Zn 0.34978875201187 0.31250000000000 0.12915161322821 65.380 > 12 92 Zn 0.84978875201187 0.31250000000000 0.12915161322821 65.380 > 12 93 Zn 0.34978875201187 0.56250000000000 0.12915161322821 65.380 > 12 94 Zn 0.84978875201187 0.56250000000000 0.12915161322821 65.380 > 12 95 Zn 0.34978875201187 0.81250000000000 0.12915161322821 65.380 > 12 96 Zn 0.84978875201187 0.81250000000000 0.12915161322821 65.380 > 12 *97 Sr 0.15742531691174 0.06250000000000 0.63235053406385 87.620 > 13 98 Sr 0.65742531691174 0.06250000000000 0.63235053406385 87.620 > 13 99 Sr 0.15742531691174 0.31250000000000 0.63235053406385 87.620 > 13 100 Sr 0.65742531691174 0.31250000000000 0.63235053406385 87.620 > 13 101 Sr 0.15742531691174 0.56250000000000 0.63235053406385 87.620 > 13 102 Sr 0.65742531691174 0.56250000000000 0.63235053406385 87.620 > 13 103 Sr 0.15742531691174 0.81250000000000 0.63235053406385 87.620 > 13 104 Sr 0.65742531691174 0.81250000000000 0.63235053406385 87.620 > 13 105 Sr 0.34257468308826 0.18750000000000 0.36764946593615 87.620 > 14 106 Sr 0.84257468308826 0.18750000000000 0.36764946593615 87.620 > 14 107 Sr 0.34257468308826 0.43750000000000 0.36764946593615 87.620 > 14 108 Sr 0.84257468308826 0.43750000000000 0.36764946593615 87.620 > 14 109 Sr 0.34257468308826 0.68750000000000 0.36764946593615 87.620 > 14 110 Sr 0.84257468308826 0.68750000000000 0.36764946593615 87.620 > 14 111 Sr 0.34257468308826 0.93750000000000 0.36764946593615 87.620 > 14 112 Sr 0.84257468308826 0.93750000000000 0.36764946593615 87.620 > 14 113 Sr 0.40742531691174 0.06250000000000 0.86764946593615 87.620 > 15 114 Sr 0.90742531691174 0.06250000000000 0.86764946593615 87.620 > 15 115 Sr 0.40742531691174 0.31250000000000 0.86764946593615 87.620 > 15 116 Sr 0.90742531691174 0.31250000000000 0.86764946593615 87.620 > 15 117 Sr 0.40742531691174 0.56250000000000 0.86764946593615 87.620 > 15 118 Sr 0.90742531691174 0.56250000000000 0.86764946593615 87.620 > 15 119 Sr 0.40742531691174 0.81250000000000 0.86764946593615 87.620 > 15 120 Sr 0.90742531691174 0.81250000000000 0.86764946593615 87.620 > 15 121 Sr 0.09257468308826 0.18750000000000 0.13235053406385 87.620 > 16 122 Sr 0.59257468308826 0.18750000000000 0.13235053406385 87.620 > 16 123 Sr 0.09257468308826 0.43750000000000 0.13235053406385 87.620 > 16 124 Sr 0.59257468308826 0.43750000000000 0.13235053406385 87.620 > 16 125 Sr 0.09257468308826 0.68750000000000 0.13235053406385 87.620 > 16 126 Sr 0.59257468308826 0.68750000000000 0.13235053406385 87.620 > 16 127 Sr 0.09257468308826 0.93750000000000 0.13235053406385 87.620 > 16 128 Sr 0.59257468308826 0.93750000000000 0.13235053406385 87.620 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3202490 0.0000000 0.0000000 0.0000000 4.4863352 0.0000000 0.0000000 0.0000000 4.3173431 -------------------------- Born effective charges -------------------------- 1 O -1.7582794 0.0000000 0.0234224 0.0000000 -2.7150399 0.0000000 0.1093648 0.0000000 -2.3065859 2 O -1.7582794 0.0000000 0.0234224 0.0000000 -2.7150399 0.0000000 0.1093648 0.0000000 -2.3065859 3 O -1.7582794 0.0000000 -0.0234224 0.0000000 -2.7150399 0.0000000 -0.1093648 0.0000000 -2.3065859 4 O -1.7582794 0.0000000 -0.0234224 0.0000000 -2.7150399 0.0000000 -0.1093648 0.0000000 -2.3065859 5 O -2.5581775 0.0000000 0.3510067 0.0000000 -1.9283545 0.0000000 0.0754021 0.0000000 -2.1936688 6 O -2.5581775 0.0000000 -0.3510067 0.0000000 -1.9283545 0.0000000 -0.0754021 0.0000000 -2.1936688 7 O -2.5581775 0.0000000 -0.3510067 0.0000000 -1.9283545 0.0000000 -0.0754021 0.0000000 -2.1936688 8 O -2.5581775 0.0000000 0.3510067 0.0000000 -1.9283545 0.0000000 0.0754021 0.0000000 -2.1936688 9 Zn 1.9396117 0.0000000 0.0039974 0.0000000 2.1174526 0.0000000 0.0433746 0.0000000 1.9323552 10 Zn 1.9396117 0.0000000 -0.0039974 0.0000000 2.1174526 0.0000000 -0.0433746 0.0000000 1.9323552 11 Zn 1.9396117 0.0000000 0.0039974 0.0000000 2.1174526 0.0000000 0.0433746 0.0000000 1.9323552 12 Zn 1.9396117 0.0000000 -0.0039974 0.0000000 2.1174526 0.0000000 -0.0433746 0.0000000 1.9323552 13 Sr 2.3768452 0.0000000 -0.0841543 0.0000000 2.5259418 0.0000000 0.0071555 0.0000000 2.5678995 14 Sr 2.3768452 0.0000000 -0.0841543 0.0000000 2.5259418 0.0000000 0.0071555 0.0000000 2.5678995 15 Sr 2.3768452 0.0000000 0.0841543 0.0000000 2.5259418 0.0000000 -0.0071555 0.0000000 2.5678995 16 Sr 2.3768452 0.0000000 0.0841543 0.0000000 2.5259418 0.0000000 -0.0071555 0.0000000 2.5678995 ---------------------------------------------------------------------------- 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: 1268 Number of blocks in projector: 1268 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: 188 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 188 Use standard eigh solver. Tree of FC basis block matrices: - (1268, 1248), data: False |-- (188, 184), data: True |-- (188, 184), data: True |-- (188, 184), data: True |-- (192, 192), data: True |-- (192, 192), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.773 Solver_block: 200 / 240 - Time: 1.776 Solver_block: 240 / 240 - Time: 0.792 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.426 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 1268 Number of blocks in projector: 1268 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: 188 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 188 Use standard eigh solver. Tree of FC basis block matrices: - (1268, 1248), data: False |-- (188, 184), data: True |-- (188, 184), data: True |-- (188, 184), data: True |-- (192, 192), data: True |-- (192, 192), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:58:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:58:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.806946250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.325671090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.280160309999999 Atomic positions (fractional): 1 O 0.23809907377300 0.25000000000000 0.96066183870470 15.999 2 O 0.76190092622700 0.75000000000000 0.03933816129530 15.999 3 O 0.73809907377300 0.25000000000000 0.53933816129530 15.999 4 O 0.26190092622700 0.75000000000000 0.46066183870470 15.999 5 O 0.44451776834742 0.25000000000000 0.24117881311500 15.999 6 O 0.05548223165258 0.75000000000000 0.74117881311500 15.999 7 O 0.94451776834742 0.25000000000000 0.25882118688500 15.999 8 O 0.55548223165258 0.75000000000000 0.75882118688500 15.999 9 Zn 0.80042249597627 0.75000000000000 0.62915161322821 65.380 10 Zn 0.30042249597627 0.75000000000000 0.87084838677179 65.380 11 Zn 0.19957750402373 0.25000000000000 0.37084838677179 65.380 12 Zn 0.69957750402373 0.25000000000000 0.12915161322821 65.380 13 Sr 0.31485063382349 0.25000000000000 0.63235053406385 87.620 14 Sr 0.68514936617651 0.75000000000000 0.36764946593615 87.620 15 Sr 0.81485063382349 0.25000000000000 0.86764946593615 87.620 16 Sr 0.18514936617651 0.75000000000000 0.13235053406385 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.613892500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.302684360000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.280160309999999 Atomic positions (fractional): 1 O 0.11904953688650 0.06250000000000 0.96066183870470 15.999 > 1 2 O 0.61904953688650 0.06250000000000 0.96066183870470 15.999 > 1 3 O 0.11904953688650 0.31250000000000 0.96066183870470 15.999 > 1 4 O 0.61904953688650 0.31250000000000 0.96066183870470 15.999 > 1 5 O 0.11904953688650 0.56250000000000 0.96066183870470 15.999 > 1 6 O 0.61904953688650 0.56250000000000 0.96066183870470 15.999 > 1 7 O 0.11904953688650 0.81250000000000 0.96066183870470 15.999 > 1 8 O 0.61904953688650 0.81250000000000 0.96066183870470 15.999 > 1 9 O 0.38095046311350 0.18750000000000 0.03933816129530 15.999 > 9 10 O 0.88095046311350 0.18750000000000 0.03933816129530 15.999 > 9 11 O 0.38095046311350 0.43750000000000 0.03933816129530 15.999 > 9 12 O 0.88095046311350 0.43750000000000 0.03933816129530 15.999 > 9 13 O 0.38095046311350 0.68750000000000 0.03933816129530 15.999 > 9 14 O 0.88095046311350 0.68750000000000 0.03933816129530 15.999 > 9 15 O 0.38095046311350 0.93750000000000 0.03933816129530 15.999 > 9 16 O 0.88095046311350 0.93750000000000 0.03933816129530 15.999 > 9 17 O 0.36904953688650 0.06250000000000 0.53933816129530 15.999 > 17 18 O 0.86904953688650 0.06250000000000 0.53933816129530 15.999 > 17 19 O 0.36904953688650 0.31250000000000 0.53933816129530 15.999 > 17 20 O 0.86904953688650 0.31250000000000 0.53933816129530 15.999 > 17 21 O 0.36904953688650 0.56250000000000 0.53933816129530 15.999 > 17 22 O 0.86904953688650 0.56250000000000 0.53933816129530 15.999 > 17 23 O 0.36904953688650 0.81250000000000 0.53933816129530 15.999 > 17 24 O 0.86904953688650 0.81250000000000 0.53933816129530 15.999 > 17 25 O 0.13095046311350 0.18750000000000 0.46066183870470 15.999 > 25 26 O 0.63095046311350 0.18750000000000 0.46066183870470 15.999 > 25 27 O 0.13095046311350 0.43750000000000 0.46066183870470 15.999 > 25 28 O 0.63095046311350 0.43750000000000 0.46066183870470 15.999 > 25 29 O 0.13095046311350 0.68750000000000 0.46066183870470 15.999 > 25 30 O 0.63095046311350 0.68750000000000 0.46066183870470 15.999 > 25 31 O 0.13095046311350 0.93750000000000 0.46066183870470 15.999 > 25 32 O 0.63095046311350 0.93750000000000 0.46066183870470 15.999 > 25 33 O 0.22225888417371 0.06250000000000 0.24117881311500 15.999 > 33 34 O 0.72225888417371 0.06250000000000 0.24117881311500 15.999 > 33 35 O 0.22225888417371 0.31250000000000 0.24117881311500 15.999 > 33 36 O 0.72225888417371 0.31250000000000 0.24117881311500 15.999 > 33 37 O 0.22225888417371 0.56250000000000 0.24117881311500 15.999 > 33 38 O 0.72225888417371 0.56250000000000 0.24117881311500 15.999 > 33 39 O 0.22225888417371 0.81250000000000 0.24117881311500 15.999 > 33 40 O 0.72225888417371 0.81250000000000 0.24117881311500 15.999 > 33 41 O 0.02774111582629 0.18750000000000 0.74117881311500 15.999 > 41 42 O 0.52774111582629 0.18750000000000 0.74117881311500 15.999 > 41 43 O 0.02774111582629 0.43750000000000 0.74117881311500 15.999 > 41 44 O 0.52774111582629 0.43750000000000 0.74117881311500 15.999 > 41 45 O 0.02774111582629 0.68750000000000 0.74117881311500 15.999 > 41 46 O 0.52774111582629 0.68750000000000 0.74117881311500 15.999 > 41 47 O 0.02774111582629 0.93750000000000 0.74117881311500 15.999 > 41 48 O 0.52774111582629 0.93750000000000 0.74117881311500 15.999 > 41 49 O 0.47225888417371 0.06250000000000 0.25882118688500 15.999 > 49 50 O 0.97225888417371 0.06250000000000 0.25882118688500 15.999 > 49 51 O 0.47225888417371 0.31250000000000 0.25882118688500 15.999 > 49 52 O 0.97225888417371 0.31250000000000 0.25882118688500 15.999 > 49 53 O 0.47225888417371 0.56250000000000 0.25882118688500 15.999 > 49 54 O 0.97225888417371 0.56250000000000 0.25882118688500 15.999 > 49 55 O 0.47225888417371 0.81250000000000 0.25882118688500 15.999 > 49 56 O 0.97225888417371 0.81250000000000 0.25882118688500 15.999 > 49 57 O 0.27774111582629 0.18750000000000 0.75882118688500 15.999 > 57 58 O 0.77774111582629 0.18750000000000 0.75882118688500 15.999 > 57 59 O 0.27774111582629 0.43750000000000 0.75882118688500 15.999 > 57 60 O 0.77774111582629 0.43750000000000 0.75882118688500 15.999 > 57 61 O 0.27774111582629 0.68750000000000 0.75882118688500 15.999 > 57 62 O 0.77774111582629 0.68750000000000 0.75882118688500 15.999 > 57 63 O 0.27774111582629 0.93750000000000 0.75882118688500 15.999 > 57 64 O 0.77774111582629 0.93750000000000 0.75882118688500 15.999 > 57 65 Zn 0.40021124798813 0.18750000000000 0.62915161322821 65.380 > 65 66 Zn 0.90021124798813 0.18750000000000 0.62915161322821 65.380 > 65 67 Zn 0.40021124798813 0.43750000000000 0.62915161322821 65.380 > 65 68 Zn 0.90021124798813 0.43750000000000 0.62915161322821 65.380 > 65 69 Zn 0.40021124798813 0.68750000000000 0.62915161322821 65.380 > 65 70 Zn 0.90021124798813 0.68750000000000 0.62915161322821 65.380 > 65 71 Zn 0.40021124798813 0.93750000000000 0.62915161322821 65.380 > 65 72 Zn 0.90021124798813 0.93750000000000 0.62915161322821 65.380 > 65 73 Zn 0.15021124798813 0.18750000000000 0.87084838677179 65.380 > 73 74 Zn 0.65021124798813 0.18750000000000 0.87084838677179 65.380 > 73 75 Zn 0.15021124798813 0.43750000000000 0.87084838677179 65.380 > 73 76 Zn 0.65021124798813 0.43750000000000 0.87084838677179 65.380 > 73 77 Zn 0.15021124798813 0.68750000000000 0.87084838677179 65.380 > 73 78 Zn 0.65021124798813 0.68750000000000 0.87084838677179 65.380 > 73 79 Zn 0.15021124798813 0.93750000000000 0.87084838677179 65.380 > 73 80 Zn 0.65021124798813 0.93750000000000 0.87084838677179 65.380 > 73 81 Zn 0.09978875201187 0.06250000000000 0.37084838677179 65.380 > 81 82 Zn 0.59978875201187 0.06250000000000 0.37084838677179 65.380 > 81 83 Zn 0.09978875201187 0.31250000000000 0.37084838677179 65.380 > 81 84 Zn 0.59978875201187 0.31250000000000 0.37084838677179 65.380 > 81 85 Zn 0.09978875201187 0.56250000000000 0.37084838677179 65.380 > 81 86 Zn 0.59978875201187 0.56250000000000 0.37084838677179 65.380 > 81 87 Zn 0.09978875201187 0.81250000000000 0.37084838677179 65.380 > 81 88 Zn 0.59978875201187 0.81250000000000 0.37084838677179 65.380 > 81 89 Zn 0.34978875201187 0.06250000000000 0.12915161322821 65.380 > 89 90 Zn 0.84978875201187 0.06250000000000 0.12915161322821 65.380 > 89 91 Zn 0.34978875201187 0.31250000000000 0.12915161322821 65.380 > 89 92 Zn 0.84978875201187 0.31250000000000 0.12915161322821 65.380 > 89 93 Zn 0.34978875201187 0.56250000000000 0.12915161322821 65.380 > 89 94 Zn 0.84978875201187 0.56250000000000 0.12915161322821 65.380 > 89 95 Zn 0.34978875201187 0.81250000000000 0.12915161322821 65.380 > 89 96 Zn 0.84978875201187 0.81250000000000 0.12915161322821 65.380 > 89 97 Sr 0.15742531691174 0.06250000000000 0.63235053406385 87.620 > 97 98 Sr 0.65742531691174 0.06250000000000 0.63235053406385 87.620 > 97 99 Sr 0.15742531691174 0.31250000000000 0.63235053406385 87.620 > 97 100 Sr 0.65742531691174 0.31250000000000 0.63235053406385 87.620 > 97 101 Sr 0.15742531691174 0.56250000000000 0.63235053406385 87.620 > 97 102 Sr 0.65742531691174 0.56250000000000 0.63235053406385 87.620 > 97 103 Sr 0.15742531691174 0.81250000000000 0.63235053406385 87.620 > 97 104 Sr 0.65742531691174 0.81250000000000 0.63235053406385 87.620 > 97 105 Sr 0.34257468308826 0.18750000000000 0.36764946593615 87.620 > 105 106 Sr 0.84257468308826 0.18750000000000 0.36764946593615 87.620 > 105 107 Sr 0.34257468308826 0.43750000000000 0.36764946593615 87.620 > 105 108 Sr 0.84257468308826 0.43750000000000 0.36764946593615 87.620 > 105 109 Sr 0.34257468308826 0.68750000000000 0.36764946593615 87.620 > 105 110 Sr 0.84257468308826 0.68750000000000 0.36764946593615 87.620 > 105 111 Sr 0.34257468308826 0.93750000000000 0.36764946593615 87.620 > 105 112 Sr 0.84257468308826 0.93750000000000 0.36764946593615 87.620 > 105 113 Sr 0.40742531691174 0.06250000000000 0.86764946593615 87.620 > 113 114 Sr 0.90742531691174 0.06250000000000 0.86764946593615 87.620 > 113 115 Sr 0.40742531691174 0.31250000000000 0.86764946593615 87.620 > 113 116 Sr 0.90742531691174 0.31250000000000 0.86764946593615 87.620 > 113 117 Sr 0.40742531691174 0.56250000000000 0.86764946593615 87.620 > 113 118 Sr 0.90742531691174 0.56250000000000 0.86764946593615 87.620 > 113 119 Sr 0.40742531691174 0.81250000000000 0.86764946593615 87.620 > 113 120 Sr 0.90742531691174 0.81250000000000 0.86764946593615 87.620 > 113 121 Sr 0.09257468308826 0.18750000000000 0.13235053406385 87.620 > 121 122 Sr 0.59257468308826 0.18750000000000 0.13235053406385 87.620 > 121 123 Sr 0.09257468308826 0.43750000000000 0.13235053406385 87.620 > 121 124 Sr 0.59257468308826 0.43750000000000 0.13235053406385 87.620 > 121 125 Sr 0.09257468308826 0.68750000000000 0.13235053406385 87.620 > 121 126 Sr 0.59257468308826 0.68750000000000 0.13235053406385 87.620 > 121 127 Sr 0.09257468308826 0.93750000000000 0.13235053406385 87.620 > 121 128 Sr 0.59257468308826 0.93750000000000 0.13235053406385 87.620 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3202490 0.0000000 0.0000000 0.0000000 4.4863352 0.0000000 0.0000000 0.0000000 4.3173431 -------------------------- Born effective charges -------------------------- 1 O -1.7582794 0.0000000 0.0234224 0.0000000 -2.7150399 0.0000000 0.1093648 0.0000000 -2.3065859 2 O -1.7582794 0.0000000 0.0234224 0.0000000 -2.7150399 0.0000000 0.1093648 0.0000000 -2.3065859 3 O -1.7582794 0.0000000 -0.0234224 0.0000000 -2.7150399 0.0000000 -0.1093648 0.0000000 -2.3065859 4 O -1.7582794 0.0000000 -0.0234224 0.0000000 -2.7150399 0.0000000 -0.1093648 0.0000000 -2.3065859 5 O -2.5581775 0.0000000 0.3510067 0.0000000 -1.9283545 0.0000000 0.0754021 0.0000000 -2.1936688 6 O -2.5581775 0.0000000 -0.3510067 0.0000000 -1.9283545 0.0000000 -0.0754021 0.0000000 -2.1936688 7 O -2.5581775 0.0000000 -0.3510067 0.0000000 -1.9283545 0.0000000 -0.0754021 0.0000000 -2.1936688 8 O -2.5581775 0.0000000 0.3510067 0.0000000 -1.9283545 0.0000000 0.0754021 0.0000000 -2.1936688 9 Zn 1.9396117 0.0000000 0.0039974 0.0000000 2.1174526 0.0000000 0.0433746 0.0000000 1.9323552 10 Zn 1.9396117 0.0000000 -0.0039974 0.0000000 2.1174526 0.0000000 -0.0433746 0.0000000 1.9323552 11 Zn 1.9396117 0.0000000 0.0039974 0.0000000 2.1174526 0.0000000 0.0433746 0.0000000 1.9323552 12 Zn 1.9396117 0.0000000 -0.0039974 0.0000000 2.1174526 0.0000000 -0.0433746 0.0000000 1.9323552 13 Sr 2.3768452 0.0000000 -0.0841543 0.0000000 2.5259418 0.0000000 0.0071555 0.0000000 2.5678995 14 Sr 2.3768452 0.0000000 -0.0841543 0.0000000 2.5259418 0.0000000 0.0071555 0.0000000 2.5678995 15 Sr 2.3768452 0.0000000 0.0841543 0.0000000 2.5259418 0.0000000 -0.0071555 0.0000000 2.5678995 16 Sr 2.3768452 0.0000000 0.0841543 0.0000000 2.5259418 0.0000000 -0.0071555 0.0000000 2.5678995 ---------------------------------------------------------------------------- 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: -0.00000001 (yxy) -0.00000001 (yxy) -0.00000001 (yyx) 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 2026-01-07 20:59:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:59:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.806946250000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.325671090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.280160309999999 Atomic positions (fractional): 1 O 0.23809907377300 0.25000000000000 0.96066183870470 15.999 2 O 0.76190092622700 0.75000000000000 0.03933816129530 15.999 3 O 0.73809907377300 0.25000000000000 0.53933816129530 15.999 4 O 0.26190092622700 0.75000000000000 0.46066183870470 15.999 5 O 0.44451776834742 0.25000000000000 0.24117881311500 15.999 6 O 0.05548223165258 0.75000000000000 0.74117881311500 15.999 7 O 0.94451776834742 0.25000000000000 0.25882118688500 15.999 8 O 0.55548223165258 0.75000000000000 0.75882118688500 15.999 9 Zn 0.80042249597627 0.75000000000000 0.62915161322821 65.380 10 Zn 0.30042249597627 0.75000000000000 0.87084838677179 65.380 11 Zn 0.19957750402373 0.25000000000000 0.37084838677179 65.380 12 Zn 0.69957750402373 0.25000000000000 0.12915161322821 65.380 13 Sr 0.31485063382349 0.25000000000000 0.63235053406385 87.620 14 Sr 0.68514936617651 0.75000000000000 0.36764946593615 87.620 15 Sr 0.81485063382349 0.25000000000000 0.86764946593615 87.620 16 Sr 0.18514936617651 0.75000000000000 0.13235053406385 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.613892500000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.302684360000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.280160309999999 Atomic positions (fractional): 1 O 0.11904953688650 0.06250000000000 0.96066183870470 15.999 > 1 2 O 0.61904953688650 0.06250000000000 0.96066183870470 15.999 > 1 3 O 0.11904953688650 0.31250000000000 0.96066183870470 15.999 > 1 4 O 0.61904953688650 0.31250000000000 0.96066183870470 15.999 > 1 5 O 0.11904953688650 0.56250000000000 0.96066183870470 15.999 > 1 6 O 0.61904953688650 0.56250000000000 0.96066183870470 15.999 > 1 7 O 0.11904953688650 0.81250000000000 0.96066183870470 15.999 > 1 8 O 0.61904953688650 0.81250000000000 0.96066183870470 15.999 > 1 9 O 0.38095046311350 0.18750000000000 0.03933816129530 15.999 > 9 10 O 0.88095046311350 0.18750000000000 0.03933816129530 15.999 > 9 11 O 0.38095046311350 0.43750000000000 0.03933816129530 15.999 > 9 12 O 0.88095046311350 0.43750000000000 0.03933816129530 15.999 > 9 13 O 0.38095046311350 0.68750000000000 0.03933816129530 15.999 > 9 14 O 0.88095046311350 0.68750000000000 0.03933816129530 15.999 > 9 15 O 0.38095046311350 0.93750000000000 0.03933816129530 15.999 > 9 16 O 0.88095046311350 0.93750000000000 0.03933816129530 15.999 > 9 17 O 0.36904953688650 0.06250000000000 0.53933816129530 15.999 > 17 18 O 0.86904953688650 0.06250000000000 0.53933816129530 15.999 > 17 19 O 0.36904953688650 0.31250000000000 0.53933816129530 15.999 > 17 20 O 0.86904953688650 0.31250000000000 0.53933816129530 15.999 > 17 21 O 0.36904953688650 0.56250000000000 0.53933816129530 15.999 > 17 22 O 0.86904953688650 0.56250000000000 0.53933816129530 15.999 > 17 23 O 0.36904953688650 0.81250000000000 0.53933816129530 15.999 > 17 24 O 0.86904953688650 0.81250000000000 0.53933816129530 15.999 > 17 25 O 0.13095046311350 0.18750000000000 0.46066183870470 15.999 > 25 26 O 0.63095046311350 0.18750000000000 0.46066183870470 15.999 > 25 27 O 0.13095046311350 0.43750000000000 0.46066183870470 15.999 > 25 28 O 0.63095046311350 0.43750000000000 0.46066183870470 15.999 > 25 29 O 0.13095046311350 0.68750000000000 0.46066183870470 15.999 > 25 30 O 0.63095046311350 0.68750000000000 0.46066183870470 15.999 > 25 31 O 0.13095046311350 0.93750000000000 0.46066183870470 15.999 > 25 32 O 0.63095046311350 0.93750000000000 0.46066183870470 15.999 > 25 33 O 0.22225888417371 0.06250000000000 0.24117881311500 15.999 > 33 34 O 0.72225888417371 0.06250000000000 0.24117881311500 15.999 > 33 35 O 0.22225888417371 0.31250000000000 0.24117881311500 15.999 > 33 36 O 0.72225888417371 0.31250000000000 0.24117881311500 15.999 > 33 37 O 0.22225888417371 0.56250000000000 0.24117881311500 15.999 > 33 38 O 0.72225888417371 0.56250000000000 0.24117881311500 15.999 > 33 39 O 0.22225888417371 0.81250000000000 0.24117881311500 15.999 > 33 40 O 0.72225888417371 0.81250000000000 0.24117881311500 15.999 > 33 41 O 0.02774111582629 0.18750000000000 0.74117881311500 15.999 > 41 42 O 0.52774111582629 0.18750000000000 0.74117881311500 15.999 > 41 43 O 0.02774111582629 0.43750000000000 0.74117881311500 15.999 > 41 44 O 0.52774111582629 0.43750000000000 0.74117881311500 15.999 > 41 45 O 0.02774111582629 0.68750000000000 0.74117881311500 15.999 > 41 46 O 0.52774111582629 0.68750000000000 0.74117881311500 15.999 > 41 47 O 0.02774111582629 0.93750000000000 0.74117881311500 15.999 > 41 48 O 0.52774111582629 0.93750000000000 0.74117881311500 15.999 > 41 49 O 0.47225888417371 0.06250000000000 0.25882118688500 15.999 > 49 50 O 0.97225888417371 0.06250000000000 0.25882118688500 15.999 > 49 51 O 0.47225888417371 0.31250000000000 0.25882118688500 15.999 > 49 52 O 0.97225888417371 0.31250000000000 0.25882118688500 15.999 > 49 53 O 0.47225888417371 0.56250000000000 0.25882118688500 15.999 > 49 54 O 0.97225888417371 0.56250000000000 0.25882118688500 15.999 > 49 55 O 0.47225888417371 0.81250000000000 0.25882118688500 15.999 > 49 56 O 0.97225888417371 0.81250000000000 0.25882118688500 15.999 > 49 57 O 0.27774111582629 0.18750000000000 0.75882118688500 15.999 > 57 58 O 0.77774111582629 0.18750000000000 0.75882118688500 15.999 > 57 59 O 0.27774111582629 0.43750000000000 0.75882118688500 15.999 > 57 60 O 0.77774111582629 0.43750000000000 0.75882118688500 15.999 > 57 61 O 0.27774111582629 0.68750000000000 0.75882118688500 15.999 > 57 62 O 0.77774111582629 0.68750000000000 0.75882118688500 15.999 > 57 63 O 0.27774111582629 0.93750000000000 0.75882118688500 15.999 > 57 64 O 0.77774111582629 0.93750000000000 0.75882118688500 15.999 > 57 65 Zn 0.40021124798813 0.18750000000000 0.62915161322821 65.380 > 65 66 Zn 0.90021124798813 0.18750000000000 0.62915161322821 65.380 > 65 67 Zn 0.40021124798813 0.43750000000000 0.62915161322821 65.380 > 65 68 Zn 0.90021124798813 0.43750000000000 0.62915161322821 65.380 > 65 69 Zn 0.40021124798813 0.68750000000000 0.62915161322821 65.380 > 65 70 Zn 0.90021124798813 0.68750000000000 0.62915161322821 65.380 > 65 71 Zn 0.40021124798813 0.93750000000000 0.62915161322821 65.380 > 65 72 Zn 0.90021124798813 0.93750000000000 0.62915161322821 65.380 > 65 73 Zn 0.15021124798813 0.18750000000000 0.87084838677179 65.380 > 73 74 Zn 0.65021124798813 0.18750000000000 0.87084838677179 65.380 > 73 75 Zn 0.15021124798813 0.43750000000000 0.87084838677179 65.380 > 73 76 Zn 0.65021124798813 0.43750000000000 0.87084838677179 65.380 > 73 77 Zn 0.15021124798813 0.68750000000000 0.87084838677179 65.380 > 73 78 Zn 0.65021124798813 0.68750000000000 0.87084838677179 65.380 > 73 79 Zn 0.15021124798813 0.93750000000000 0.87084838677179 65.380 > 73 80 Zn 0.65021124798813 0.93750000000000 0.87084838677179 65.380 > 73 81 Zn 0.09978875201187 0.06250000000000 0.37084838677179 65.380 > 81 82 Zn 0.59978875201187 0.06250000000000 0.37084838677179 65.380 > 81 83 Zn 0.09978875201187 0.31250000000000 0.37084838677179 65.380 > 81 84 Zn 0.59978875201187 0.31250000000000 0.37084838677179 65.380 > 81 85 Zn 0.09978875201187 0.56250000000000 0.37084838677179 65.380 > 81 86 Zn 0.59978875201187 0.56250000000000 0.37084838677179 65.380 > 81 87 Zn 0.09978875201187 0.81250000000000 0.37084838677179 65.380 > 81 88 Zn 0.59978875201187 0.81250000000000 0.37084838677179 65.380 > 81 89 Zn 0.34978875201187 0.06250000000000 0.12915161322821 65.380 > 89 90 Zn 0.84978875201187 0.06250000000000 0.12915161322821 65.380 > 89 91 Zn 0.34978875201187 0.31250000000000 0.12915161322821 65.380 > 89 92 Zn 0.84978875201187 0.31250000000000 0.12915161322821 65.380 > 89 93 Zn 0.34978875201187 0.56250000000000 0.12915161322821 65.380 > 89 94 Zn 0.84978875201187 0.56250000000000 0.12915161322821 65.380 > 89 95 Zn 0.34978875201187 0.81250000000000 0.12915161322821 65.380 > 89 96 Zn 0.84978875201187 0.81250000000000 0.12915161322821 65.380 > 89 97 Sr 0.15742531691174 0.06250000000000 0.63235053406385 87.620 > 97 98 Sr 0.65742531691174 0.06250000000000 0.63235053406385 87.620 > 97 99 Sr 0.15742531691174 0.31250000000000 0.63235053406385 87.620 > 97 100 Sr 0.65742531691174 0.31250000000000 0.63235053406385 87.620 > 97 101 Sr 0.15742531691174 0.56250000000000 0.63235053406385 87.620 > 97 102 Sr 0.65742531691174 0.56250000000000 0.63235053406385 87.620 > 97 103 Sr 0.15742531691174 0.81250000000000 0.63235053406385 87.620 > 97 104 Sr 0.65742531691174 0.81250000000000 0.63235053406385 87.620 > 97 105 Sr 0.34257468308826 0.18750000000000 0.36764946593615 87.620 > 105 106 Sr 0.84257468308826 0.18750000000000 0.36764946593615 87.620 > 105 107 Sr 0.34257468308826 0.43750000000000 0.36764946593615 87.620 > 105 108 Sr 0.84257468308826 0.43750000000000 0.36764946593615 87.620 > 105 109 Sr 0.34257468308826 0.68750000000000 0.36764946593615 87.620 > 105 110 Sr 0.84257468308826 0.68750000000000 0.36764946593615 87.620 > 105 111 Sr 0.34257468308826 0.93750000000000 0.36764946593615 87.620 > 105 112 Sr 0.84257468308826 0.93750000000000 0.36764946593615 87.620 > 105 113 Sr 0.40742531691174 0.06250000000000 0.86764946593615 87.620 > 113 114 Sr 0.90742531691174 0.06250000000000 0.86764946593615 87.620 > 113 115 Sr 0.40742531691174 0.31250000000000 0.86764946593615 87.620 > 113 116 Sr 0.90742531691174 0.31250000000000 0.86764946593615 87.620 > 113 117 Sr 0.40742531691174 0.56250000000000 0.86764946593615 87.620 > 113 118 Sr 0.90742531691174 0.56250000000000 0.86764946593615 87.620 > 113 119 Sr 0.40742531691174 0.81250000000000 0.86764946593615 87.620 > 113 120 Sr 0.90742531691174 0.81250000000000 0.86764946593615 87.620 > 113 121 Sr 0.09257468308826 0.18750000000000 0.13235053406385 87.620 > 121 122 Sr 0.59257468308826 0.18750000000000 0.13235053406385 87.620 > 121 123 Sr 0.09257468308826 0.43750000000000 0.13235053406385 87.620 > 121 124 Sr 0.59257468308826 0.43750000000000 0.13235053406385 87.620 > 121 125 Sr 0.09257468308826 0.68750000000000 0.13235053406385 87.620 > 121 126 Sr 0.59257468308826 0.68750000000000 0.13235053406385 87.620 > 121 127 Sr 0.09257468308826 0.93750000000000 0.13235053406385 87.620 > 121 128 Sr 0.59257468308826 0.93750000000000 0.13235053406385 87.620 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3202490 0.0000000 0.0000000 0.0000000 4.4863352 0.0000000 0.0000000 0.0000000 4.3173431 -------------------------- Born effective charges -------------------------- 1 O -1.7582794 0.0000000 0.0234224 0.0000000 -2.7150399 0.0000000 0.1093648 0.0000000 -2.3065859 2 O -1.7582794 0.0000000 0.0234224 0.0000000 -2.7150399 0.0000000 0.1093648 0.0000000 -2.3065859 3 O -1.7582794 0.0000000 -0.0234224 0.0000000 -2.7150399 0.0000000 -0.1093648 0.0000000 -2.3065859 4 O -1.7582794 0.0000000 -0.0234224 0.0000000 -2.7150399 0.0000000 -0.1093648 0.0000000 -2.3065859 5 O -2.5581775 0.0000000 0.3510067 0.0000000 -1.9283545 0.0000000 0.0754021 0.0000000 -2.1936688 6 O -2.5581775 0.0000000 -0.3510067 0.0000000 -1.9283545 0.0000000 -0.0754021 0.0000000 -2.1936688 7 O -2.5581775 0.0000000 -0.3510067 0.0000000 -1.9283545 0.0000000 -0.0754021 0.0000000 -2.1936688 8 O -2.5581775 0.0000000 0.3510067 0.0000000 -1.9283545 0.0000000 0.0754021 0.0000000 -2.1936688 9 Zn 1.9396117 0.0000000 0.0039974 0.0000000 2.1174526 0.0000000 0.0433746 0.0000000 1.9323552 10 Zn 1.9396117 0.0000000 -0.0039974 0.0000000 2.1174526 0.0000000 -0.0433746 0.0000000 1.9323552 11 Zn 1.9396117 0.0000000 0.0039974 0.0000000 2.1174526 0.0000000 0.0433746 0.0000000 1.9323552 12 Zn 1.9396117 0.0000000 -0.0039974 0.0000000 2.1174526 0.0000000 -0.0433746 0.0000000 1.9323552 13 Sr 2.3768452 0.0000000 -0.0841543 0.0000000 2.5259418 0.0000000 0.0071555 0.0000000 2.5678995 14 Sr 2.3768452 0.0000000 -0.0841543 0.0000000 2.5259418 0.0000000 0.0071555 0.0000000 2.5678995 15 Sr 2.3768452 0.0000000 0.0841543 0.0000000 2.5259418 0.0000000 -0.0071555 0.0000000 2.5678995 16 Sr 2.3768452 0.0000000 0.0841543 0.0000000 2.5259418 0.0000000 -0.0071555 0.0000000 2.5678995 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yxy) -0.00000001 (yxy) -0.00000001 (yyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 15 4 ] 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: 0.69, Number of G-points: 291, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.262 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.581 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 6.053 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.590 ( 0.000 0.000 0.000) 0.000 6.630 ( 0.000 0.000 0.000) 0.000 6.977 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.232 ( 0.000 0.000 0.000) 0.000 7.307 ( 0.000 0.000 0.000) 0.000 7.698 ( 0.000 0.000 0.000) 0.000 7.765 ( 0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.971 ( 0.000 0.000 0.000) 0.000 9.477 ( 0.000 0.000 0.000) 0.000 10.870 ( 0.000 0.000 0.000) 0.000 12.062 ( 0.000 0.000 0.000) 0.000 12.898 ( 0.000 0.000 0.000) 0.000 12.921 ( 0.000 0.000 0.000) 0.000 12.958 ( 0.000 0.000 0.000) 0.000 13.269 ( 0.000 0.000 0.000) 0.000 13.291 ( 0.000 0.000 0.000) 0.000 13.609 ( 0.000 0.000 0.000) 0.000 14.043 ( 0.000 0.000 0.000) 0.000 14.497 ( 0.000 0.000 0.000) 0.000 14.779 ( 0.000 0.000 0.000) 0.000 18.468 ( 0.000 0.000 0.000) 0.000 18.910 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 23.000 0.000 0.000) 23.000 0.564 ( 29.207 0.000 0.000) 29.207 0.953 ( 48.022 0.000 0.000) 48.022 1.640 ( 33.741 0.000 0.000) 33.741 2.385 ( 3.806 0.000 0.000) 3.806 2.981 ( 1.736 0.000 0.000) 1.736 3.074 ( 0.290 0.000 0.000) 0.290 3.263 ( 6.435 0.000 0.000) 6.435 3.369 ( -4.703 0.000 0.000) 4.703 3.492 ( -6.616 0.000 0.000) 6.616 3.527 ( -4.559 0.000 0.000) 4.559 3.622 ( 1.419 0.000 0.000) 1.419 3.701 ( -1.762 0.000 0.000) 1.762 3.901 ( -0.686 0.000 0.000) 0.686 4.014 ( -5.513 0.000 0.000) 5.513 4.307 ( 2.812 0.000 0.000) 2.812 4.385 ( -1.343 0.000 0.000) 1.343 4.865 ( 4.105 0.000 0.000) 4.105 5.072 ( 1.719 0.000 0.000) 1.719 5.476 ( 2.395 0.000 0.000) 2.395 5.641 ( -0.159 0.000 0.000) 0.159 6.094 ( 3.685 0.000 0.000) 3.685 6.351 ( 8.779 0.000 0.000) 8.779 6.600 ( 1.964 0.000 0.000) 1.964 6.602 ( -3.848 0.000 0.000) 3.848 6.619 ( 2.744 0.000 0.000) 2.744 6.941 ( -3.561 0.000 0.000) 3.561 7.213 ( -1.930 0.000 0.000) 1.930 7.244 ( 4.006 0.000 0.000) 4.006 7.286 ( -2.161 0.000 0.000) 2.161 7.654 ( -4.463 0.000 0.000) 4.463 8.484 ( 8.567 0.000 0.000) 8.567 8.914 ( -5.813 0.000 0.000) 5.813 9.516 ( 3.886 0.000 0.000) 3.886 10.533 ( -2.605 0.000 0.000) 2.605 10.839 ( -3.216 0.000 0.000) 3.216 12.098 ( 3.560 0.000 0.000) 3.560 12.910 ( 1.204 0.000 0.000) 1.204 12.913 ( -4.722 0.000 0.000) 4.722 12.932 ( 1.161 0.000 0.000) 1.161 13.260 ( -0.941 0.000 0.000) 0.941 13.281 ( -0.973 0.000 0.000) 0.973 13.561 ( -4.819 0.000 0.000) 4.819 13.830 ( -26.769 0.000 0.000) 26.769 15.095 ( 36.702 0.000 0.000) 36.702 16.939 ( 5.943 0.000 0.000) 5.943 18.430 ( -3.943 0.000 0.000) 3.943 18.816 ( -9.473 0.000 0.000) 9.473 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 25.706 0.000 0.000) 25.706 1.113 ( 28.035 0.000 0.000) 28.035 1.800 ( 39.302 0.000 0.000) 39.302 2.351 ( 36.993 0.000 0.000) 36.993 2.490 ( 7.054 0.000 0.000) 7.054 3.001 ( -1.464 0.000 0.000) 1.464 3.078 ( 0.231 0.000 0.000) 0.231 3.260 ( -4.994 0.000 0.000) 4.994 3.319 ( -10.673 0.000 0.000) 10.673 3.411 ( -7.435 0.000 0.000) 7.435 3.434 ( 10.701 0.000 0.000) 10.701 3.651 ( -3.398 0.000 0.000) 3.398 3.654 ( 2.047 0.000 0.000) 2.047 3.881 ( -1.393 0.000 0.000) 1.393 3.909 ( -4.408 0.000 0.000) 4.408 4.343 ( -3.109 0.000 0.000) 3.109 4.355 ( 1.754 0.000 0.000) 1.754 4.932 ( 0.425 0.000 0.000) 0.425 5.129 ( 4.581 0.000 0.000) 4.581 5.450 ( -1.190 0.000 0.000) 1.190 5.765 ( 10.546 0.000 0.000) 10.546 6.164 ( 2.946 0.000 0.000) 2.946 6.418 ( -6.256 0.000 0.000) 6.256 6.658 ( 3.963 0.000 0.000) 3.963 6.659 ( 13.110 0.000 0.000) 13.110 6.690 ( 4.594 0.000 0.000) 4.594 6.858 ( -4.246 0.000 0.000) 4.246 7.159 ( -3.662 0.000 0.000) 3.662 7.227 ( -4.027 0.000 0.000) 4.027 7.279 ( -1.511 0.000 0.000) 1.511 7.542 ( -6.245 0.000 0.000) 6.245 8.756 ( -10.613 0.000 0.000) 10.613 8.762 ( 20.488 0.000 0.000) 20.488 9.615 ( 6.311 0.000 0.000) 6.311 10.460 ( -4.995 0.000 0.000) 4.995 10.743 ( -6.990 0.000 0.000) 6.990 12.183 ( 4.778 0.000 0.000) 4.778 12.783 ( -8.602 0.000 0.000) 8.602 12.943 ( 2.180 0.000 0.000) 2.180 12.964 ( 2.094 0.000 0.000) 2.094 13.234 ( -1.759 0.000 0.000) 1.759 13.254 ( -1.826 0.000 0.000) 1.826 13.390 ( -18.717 0.000 0.000) 18.717 13.437 ( -7.744 0.000 0.000) 7.744 15.813 ( 37.686 0.000 0.000) 37.686 17.103 ( 10.913 0.000 0.000) 10.913 18.317 ( -7.881 0.000 0.000) 7.881 18.563 ( -16.567 0.000 0.000) 16.567 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 27.181 0.000 0.000) 27.181 1.632 ( 26.101 0.000 0.000) 26.101 2.383 ( 17.673 0.000 0.000) 17.673 2.649 ( 9.373 0.000 0.000) 9.373 2.848 ( -13.850 0.000 0.000) 13.850 2.894 ( 12.230 0.000 0.000) 12.230 3.083 ( 0.253 0.000 0.000) 0.253 3.205 ( 7.906 0.000 0.000) 7.906 3.233 ( -5.423 0.000 0.000) 5.423 3.268 ( -0.398 0.000 0.000) 0.398 3.572 ( -4.792 0.000 0.000) 4.792 3.637 ( 9.228 0.000 0.000) 9.228 3.699 ( 2.604 0.000 0.000) 2.604 3.848 ( -2.059 0.000 0.000) 2.059 3.898 ( 4.841 0.000 0.000) 4.841 4.267 ( -4.638 0.000 0.000) 4.638 4.362 ( -1.158 0.000 0.000) 1.158 4.811 ( -12.298 0.000 0.000) 12.298 5.260 ( 9.384 0.000 0.000) 9.384 5.535 ( 9.317 0.000 0.000) 9.317 5.922 ( 1.541 0.000 0.000) 1.541 6.226 ( 6.581 0.000 0.000) 6.581 6.244 ( -10.797 0.000 0.000) 10.797 6.748 ( 5.333 0.000 0.000) 5.333 6.790 ( 5.750 0.000 0.000) 5.750 6.822 ( 1.415 0.000 0.000) 1.415 6.872 ( 3.382 0.000 0.000) 3.382 7.075 ( -5.016 0.000 0.000) 5.016 7.136 ( -5.376 0.000 0.000) 5.376 7.190 ( -6.422 0.000 0.000) 6.422 7.500 ( 5.342 0.000 0.000) 5.342 8.507 ( -15.465 0.000 0.000) 15.465 9.228 ( 26.547 0.000 0.000) 26.547 9.751 ( 7.575 0.000 0.000) 7.575 10.345 ( -6.869 0.000 0.000) 6.869 10.565 ( -11.750 0.000 0.000) 11.750 12.265 ( 3.675 0.000 0.000) 3.675 12.601 ( -9.817 0.000 0.000) 9.817 12.990 ( 2.689 0.000 0.000) 2.689 13.009 ( 2.503 0.000 0.000) 2.503 13.129 ( -8.355 0.000 0.000) 8.355 13.195 ( -2.212 0.000 0.000) 2.212 13.213 ( -2.376 0.000 0.000) 2.376 13.281 ( -8.108 0.000 0.000) 8.108 16.517 ( 35.517 0.000 0.000) 35.517 17.345 ( 14.061 0.000 0.000) 14.061 18.122 ( -13.666 0.000 0.000) 13.666 18.204 ( -19.475 0.000 0.000) 19.475 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 25.614 0.000 0.000) 25.614 2.107 ( 23.388 0.000 0.000) 23.388 2.341 ( -17.404 0.000 0.000) 17.404 2.521 ( -19.715 0.000 0.000) 19.715 2.842 ( 10.597 0.000 0.000) 10.597 3.019 ( 5.768 0.000 0.000) 5.768 3.047 ( -10.654 0.000 0.000) 10.654 3.080 ( -1.035 0.000 0.000) 1.035 3.357 ( 5.874 0.000 0.000) 5.874 3.471 ( -5.759 0.000 0.000) 5.759 3.514 ( 15.945 0.000 0.000) 15.945 3.715 ( -3.168 0.000 0.000) 3.168 3.751 ( 2.776 0.000 0.000) 2.776 3.803 ( -2.563 0.000 0.000) 2.563 4.098 ( 12.618 0.000 0.000) 12.618 4.197 ( -1.696 0.000 0.000) 1.696 4.333 ( 0.431 0.000 0.000) 0.431 4.525 ( -16.013 0.000 0.000) 16.013 5.486 ( 13.699 0.000 0.000) 13.699 5.709 ( -0.242 0.000 0.000) 0.242 5.826 ( -0.217 0.000 0.000) 0.217 6.020 ( -12.251 0.000 0.000) 12.251 6.455 ( 14.985 0.000 0.000) 14.985 6.739 ( -13.447 0.000 0.000) 13.447 6.857 ( 5.956 0.000 0.000) 5.956 6.906 ( 6.238 0.000 0.000) 6.238 6.909 ( 6.916 0.000 0.000) 6.916 6.971 ( -5.827 0.000 0.000) 5.827 7.025 ( -6.112 0.000 0.000) 6.112 7.056 ( -7.757 0.000 0.000) 7.757 7.774 ( 19.996 0.000 0.000) 19.996 8.167 ( -19.800 0.000 0.000) 19.800 9.709 ( 21.292 0.000 0.000) 21.292 9.878 ( 3.671 0.000 0.000) 3.671 10.218 ( -4.775 0.000 0.000) 4.775 10.305 ( -13.715 0.000 0.000) 13.715 12.331 ( 3.758 0.000 0.000) 3.758 12.433 ( -7.203 0.000 0.000) 7.203 13.039 ( 2.107 0.000 0.000) 2.107 13.050 ( 1.260 0.000 0.000) 1.260 13.065 ( 1.073 0.000 0.000) 1.073 13.141 ( -6.176 0.000 0.000) 6.176 13.158 ( -1.152 0.000 0.000) 1.152 13.169 ( -1.975 0.000 0.000) 1.975 17.159 ( 31.373 0.000 0.000) 31.373 17.627 ( 15.003 0.000 0.000) 15.003 17.713 ( -26.297 0.000 0.000) 26.297 17.907 ( -14.183 0.000 0.000) 14.183 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 0.000 29.462 0.000) 29.462 0.697 ( 0.000 34.192 0.000) 34.192 1.208 ( 0.000 41.187 0.000) 41.187 1.400 ( 0.000 28.463 0.000) 28.463 2.495 ( 0.000 13.193 0.000) 13.193 3.060 ( 0.000 2.846 0.000) 2.846 3.121 ( 0.000 10.911 0.000) 10.911 3.216 ( 0.000 1.911 0.000) 1.911 3.547 ( 0.000 -0.272 0.000) 0.272 3.593 ( 0.000 16.152 0.000) 16.152 3.701 ( 0.000 10.635 0.000) 10.635 3.733 ( 0.000 13.131 0.000) 13.131 3.826 ( 0.000 9.660 0.000) 9.660 4.052 ( 0.000 6.295 0.000) 6.295 4.085 ( 0.000 5.754 0.000) 5.754 4.250 ( 0.000 5.453 0.000) 5.453 4.401 ( 0.000 1.091 0.000) 1.091 4.866 ( 0.000 4.673 0.000) 4.673 4.958 ( 0.000 1.343 0.000) 1.343 5.410 ( 0.000 -1.471 0.000) 1.471 5.463 ( 0.000 3.609 0.000) 3.609 5.644 ( 0.000 -2.548 0.000) 2.548 6.028 ( 0.000 -2.381 0.000) 2.381 6.612 ( 0.000 -1.463 0.000) 1.463 6.634 ( 0.000 2.363 0.000) 2.363 6.708 ( 0.000 12.027 0.000) 12.027 7.047 ( 0.000 8.400 0.000) 8.400 7.170 ( 0.000 -2.250 0.000) 2.250 7.424 ( 0.000 10.727 0.000) 10.727 7.654 ( 0.000 -4.315 0.000) 4.315 7.779 ( 0.000 1.758 0.000) 1.758 8.395 ( 0.000 -1.216 0.000) 1.216 8.932 ( 0.000 -3.906 0.000) 3.906 9.500 ( 0.000 2.310 0.000) 2.310 9.543 ( 0.000 8.652 0.000) 8.652 10.873 ( 0.000 0.187 0.000) 0.187 12.043 ( 0.000 -1.839 0.000) 1.839 12.523 ( 0.000 -27.047 0.000) 27.047 12.865 ( 0.000 -8.458 0.000) 8.458 13.418 ( 0.000 13.812 0.000) 13.812 13.433 ( 0.000 13.061 0.000) 13.061 13.971 ( 0.000 25.640 0.000) 25.640 13.990 ( 0.000 -5.211 0.000) 5.211 14.484 ( 0.000 -1.303 0.000) 1.303 14.728 ( 0.000 -4.194 0.000) 4.194 16.760 ( 0.000 0.234 0.000) 0.234 18.448 ( 0.000 -1.884 0.000) 1.884 18.875 ( 0.000 -3.374 0.000) 3.374 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 11.266 28.791 0.000) 30.917 0.923 ( 24.750 20.658 0.000) 32.238 1.483 ( 26.310 40.113 0.000) 47.972 1.720 ( 29.950 14.284 0.000) 33.182 2.542 ( 4.159 13.633 0.000) 14.253 3.064 ( -0.280 0.218 0.000) 0.355 3.123 ( 1.206 12.000 0.000) 12.061 3.274 ( 5.312 1.940 0.000) 5.655 3.451 ( -6.923 -1.349 0.000) 7.053 3.554 ( -4.172 16.787 0.000) 17.298 3.658 ( -3.818 11.677 0.000) 12.285 3.750 ( 1.617 12.245 0.000) 12.351 3.817 ( -1.391 10.308 0.000) 10.401 3.995 ( -5.292 1.002 0.000) 5.386 4.057 ( -2.056 10.643 0.000) 10.840 4.323 ( 4.141 3.237 0.000) 5.256 4.393 ( -0.949 1.414 0.000) 1.703 4.907 ( 3.767 4.420 0.000) 5.807 5.079 ( 4.848 1.013 0.000) 4.952 5.451 ( 2.027 -2.189 0.000) 2.983 5.617 ( 0.117 -2.184 0.000) 2.187 5.801 ( 25.024 -18.486 0.000) 31.111 6.073 ( 3.880 -2.030 0.000) 4.379 6.585 ( -3.019 -1.315 0.000) 3.293 6.634 ( -0.069 0.647 0.000) 0.650 6.732 ( 2.391 11.892 0.000) 12.130 7.034 ( -1.172 10.255 0.000) 10.322 7.211 ( 3.009 -2.333 0.000) 3.808 7.405 ( -2.181 11.253 0.000) 11.463 7.574 ( -6.003 3.104 0.000) 6.758 7.665 ( -6.167 7.601 0.000) 9.788 8.496 ( 9.079 0.552 0.000) 9.096 8.877 ( -5.524 -3.567 0.000) 6.575 9.536 ( 3.596 1.987 0.000) 4.109 9.940 ( 25.313 -17.460 0.000) 30.750 10.841 ( -3.458 -0.047 0.000) 3.458 11.999 ( -2.929 -3.068 0.000) 4.241 12.518 ( -0.700 -26.474 0.000) 26.483 12.840 ( -2.501 -8.521 0.000) 8.881 13.415 ( -0.376 14.454 0.000) 14.459 13.430 ( -0.367 13.493 0.000) 13.498 13.688 ( -19.461 3.219 0.000) 19.726 13.925 ( -4.633 25.737 0.000) 26.151 14.008 ( -34.746 27.933 0.000) 44.582 15.083 ( 33.073 -1.842 0.000) 33.124 16.828 ( 6.781 -5.959 0.000) 9.027 18.411 ( -3.955 -1.888 0.000) 4.383 18.785 ( -9.195 -3.087 0.000) 9.700 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 19.450 19.408 0.000) 27.476 1.387 ( 23.808 18.937 0.000) 30.421 2.073 ( 31.164 26.442 0.000) 40.871 2.352 ( 30.757 3.550 0.000) 30.961 2.665 ( 10.460 14.346 0.000) 17.754 3.045 ( -1.639 -1.501 0.000) 2.222 3.155 ( 0.645 13.521 0.000) 13.536 3.300 ( -8.524 -0.608 0.000) 8.545 3.383 ( 3.875 1.322 0.000) 4.095 3.450 ( -4.992 15.377 0.000) 16.167 3.577 ( -3.279 11.265 0.000) 11.732 3.773 ( -3.041 11.018 0.000) 11.430 3.797 ( 3.310 13.019 0.000) 13.433 3.893 ( -4.263 0.074 0.000) 4.264 4.012 ( -2.518 10.102 0.000) 10.411 4.361 ( -2.466 2.257 0.000) 3.343 4.383 ( 2.055 3.592 0.000) 4.138 4.957 ( -1.019 2.492 0.000) 2.692 5.157 ( 4.543 2.895 0.000) 5.387 5.440 ( 0.479 -0.758 0.000) 0.897 5.739 ( 10.441 -2.188 0.000) 10.668 6.141 ( 2.526 -1.961 0.000) 3.198 6.191 ( 13.660 -17.909 0.000) 22.524 6.515 ( -2.195 -2.789 0.000) 3.549 6.632 ( 0.260 -2.979 0.000) 2.991 6.795 ( 4.052 11.419 0.000) 12.116 7.019 ( 0.144 14.381 0.000) 14.382 7.230 ( -1.984 -1.914 0.000) 2.757 7.340 ( -3.826 11.007 0.000) 11.653 7.503 ( -5.134 -3.462 0.000) 6.192 7.542 ( -3.938 19.772 0.000) 20.161 8.725 ( -10.294 -2.927 0.000) 10.702 8.767 ( 19.586 0.475 0.000) 19.592 9.630 ( 6.069 1.469 0.000) 6.244 10.251 ( 7.548 -13.489 0.000) 15.457 10.737 ( -7.506 -0.776 0.000) 7.546 11.986 ( 1.998 -9.252 0.000) 9.465 12.487 ( -2.848 -23.205 0.000) 23.379 12.783 ( -2.964 -10.161 0.000) 10.585 13.317 ( -18.161 -1.644 0.000) 18.235 13.419 ( -1.591 12.170 0.000) 12.273 13.420 ( -0.612 14.799 0.000) 14.812 13.562 ( -11.459 38.555 0.000) 40.222 13.805 ( -7.458 25.817 0.000) 26.872 15.771 ( 37.285 -3.948 0.000) 37.493 17.011 ( 12.040 -7.524 0.000) 14.198 18.297 ( -7.965 -1.962 0.000) 8.203 18.537 ( -16.312 -2.534 0.000) 16.508 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 23.590 12.110 0.000) 26.517 1.841 ( 23.461 15.845 0.000) 28.311 2.518 ( 9.739 13.083 0.000) 16.310 2.699 ( 10.743 6.032 0.000) 12.321 2.963 ( -9.383 3.435 0.000) 9.992 3.005 ( 14.288 10.406 0.000) 17.676 3.108 ( -3.589 11.077 0.000) 11.644 3.212 ( 6.680 1.415 0.000) 6.828 3.343 ( -6.895 8.947 0.000) 11.295 3.417 ( 2.191 12.641 0.000) 12.829 3.614 ( 5.253 1.073 0.000) 5.361 3.710 ( -3.485 12.379 0.000) 12.860 3.870 ( 3.643 13.250 0.000) 13.742 3.871 ( 2.119 1.608 0.000) 2.660 3.979 ( 0.772 8.049 0.000) 8.085 4.300 ( -3.598 3.754 0.000) 5.200 4.396 ( -0.707 4.137 0.000) 4.197 4.821 ( -12.070 1.134 0.000) 12.123 5.278 ( 8.469 2.035 0.000) 8.710 5.545 ( 9.342 1.121 0.000) 9.409 5.898 ( 1.794 -2.013 0.000) 2.696 6.191 ( 6.098 -2.715 0.000) 6.675 6.215 ( -7.768 -2.992 0.000) 8.324 6.602 ( 6.989 -12.640 0.000) 14.443 6.673 ( 4.583 -3.963 0.000) 6.059 6.881 ( 4.883 10.249 0.000) 11.353 7.048 ( 2.801 16.332 0.000) 16.570 7.128 ( -7.942 -1.571 0.000) 8.096 7.265 ( -5.545 7.764 0.000) 9.541 7.331 ( -8.906 7.289 0.000) 11.508 7.586 ( 7.269 13.022 0.000) 14.913 8.485 ( -14.808 -1.924 0.000) 14.932 9.215 ( 25.712 -1.194 0.000) 25.739 9.761 ( 7.317 1.019 0.000) 7.388 10.283 ( -2.694 -4.832 0.000) 5.532 10.547 ( -12.391 -1.884 0.000) 12.533 12.064 ( 5.496 -12.881 0.000) 14.005 12.404 ( -5.536 -16.227 0.000) 17.145 12.741 ( -1.190 -14.293 0.000) 14.342 12.995 ( -13.676 -5.813 0.000) 14.860 13.407 ( -0.683 19.176 0.000) 19.188 13.408 ( -0.655 16.942 0.000) 16.955 13.455 ( -1.603 28.323 0.000) 28.368 13.658 ( -7.443 25.383 0.000) 26.451 16.476 ( 35.861 -3.889 0.000) 36.072 17.275 ( 15.232 -6.273 0.000) 16.473 18.100 ( -13.669 -2.149 0.000) 13.837 18.180 ( -19.769 -2.389 0.000) 19.912 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 23.175 7.158 0.000) 24.256 2.261 ( 15.845 10.313 0.000) 18.905 2.413 ( -10.882 8.831 0.000) 14.015 2.682 ( -18.247 12.044 0.000) 21.863 2.906 ( 9.941 6.628 0.000) 11.948 3.051 ( -4.232 3.913 0.000) 5.764 3.117 ( 3.426 10.705 0.000) 11.240 3.198 ( -6.496 11.247 0.000) 12.988 3.484 ( 10.447 0.709 0.000) 10.471 3.491 ( 4.265 10.473 0.000) 11.308 3.654 ( -0.465 12.017 0.000) 12.026 3.689 ( 1.204 -0.169 0.000) 1.216 3.876 ( -1.023 6.903 0.000) 6.979 3.893 ( -1.809 10.979 0.000) 11.127 4.145 ( 12.993 5.110 0.000) 13.962 4.252 ( -0.963 6.050 0.000) 6.126 4.374 ( 0.173 4.685 0.000) 4.689 4.548 ( -15.154 2.536 0.000) 15.365 5.481 ( 12.282 -0.147 0.000) 12.283 5.686 ( -3.014 -1.980 0.000) 3.606 5.837 ( 2.884 1.395 0.000) 3.204 6.023 ( -11.249 0.384 0.000) 11.255 6.407 ( 13.500 -3.441 0.000) 13.932 6.617 ( -6.313 -7.326 0.000) 9.671 6.798 ( 7.897 -3.215 0.000) 8.526 6.959 ( -8.871 -2.203 0.000) 9.140 6.981 ( 5.679 8.071 0.000) 9.869 7.111 ( -8.168 5.499 0.000) 9.846 7.120 ( 4.476 15.388 0.000) 16.026 7.212 ( -5.067 13.435 0.000) 14.358 7.823 ( 16.572 5.788 0.000) 17.553 8.166 ( -18.078 0.449 0.000) 18.084 9.687 ( 21.518 -2.070 0.000) 21.617 9.879 ( 2.702 0.101 0.000) 2.704 10.201 ( -4.058 -1.454 0.000) 4.310 10.280 ( -13.528 -2.439 0.000) 13.746 12.176 ( 5.978 -11.789 0.000) 13.218 12.291 ( -6.043 -11.475 0.000) 12.969 12.740 ( 1.252 -15.320 0.000) 15.371 12.806 ( -6.228 -11.091 0.000) 12.720 13.395 ( -0.280 21.874 0.000) 21.876 13.397 ( -0.405 19.641 0.000) 19.645 13.465 ( 2.201 23.152 0.000) 23.256 13.535 ( -5.127 24.129 0.000) 24.667 17.127 ( 31.863 -3.110 0.000) 32.014 17.578 ( 15.957 -4.571 0.000) 16.599 17.688 ( -26.622 -2.365 0.000) 26.727 17.874 ( -14.785 -3.231 0.000) 15.134 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 0.000 28.764 0.000) 28.764 1.358 ( 0.000 31.475 0.000) 31.475 1.517 ( 0.000 12.758 0.000) 12.758 2.496 ( 0.000 56.650 0.000) 56.650 2.792 ( 0.000 14.526 0.000) 14.526 3.096 ( 0.000 2.147 0.000) 2.147 3.282 ( 0.000 4.559 0.000) 4.559 3.409 ( 0.000 14.169 0.000) 14.169 3.562 ( 0.000 1.817 0.000) 1.817 3.919 ( 0.000 8.986 0.000) 8.986 3.975 ( 0.000 20.047 0.000) 20.047 4.040 ( 0.000 9.982 0.000) 9.982 4.050 ( 0.000 -1.051 0.000) 1.051 4.125 ( 0.000 25.521 0.000) 25.521 4.393 ( 0.000 18.684 0.000) 18.684 4.416 ( 0.000 11.238 0.000) 11.238 4.495 ( 0.000 9.718 0.000) 9.718 5.014 ( 0.000 4.620 0.000) 4.620 5.031 ( 0.000 12.277 0.000) 12.277 5.388 ( 0.000 -0.454 0.000) 0.454 5.575 ( 0.000 7.406 0.000) 7.406 5.578 ( 0.000 -3.651 0.000) 3.651 5.963 ( 0.000 -3.840 0.000) 3.840 6.589 ( 0.000 -0.429 0.000) 0.429 6.622 ( 0.000 -3.511 0.000) 3.511 7.033 ( 0.000 19.335 0.000) 19.335 7.102 ( 0.000 -4.502 0.000) 4.502 7.337 ( 0.000 19.461 0.000) 19.461 7.531 ( 0.000 -7.670 0.000) 7.670 7.645 ( 0.000 7.463 0.000) 7.463 7.902 ( 0.000 13.782 0.000) 13.782 8.364 ( 0.000 -1.798 0.000) 1.798 8.820 ( 0.000 -6.978 0.000) 6.978 9.568 ( 0.000 4.388 0.000) 4.388 9.776 ( 0.000 13.899 0.000) 13.899 10.861 ( 0.000 -2.220 0.000) 2.220 11.987 ( 0.000 -24.738 0.000) 24.738 11.993 ( 0.000 -3.015 0.000) 3.015 12.638 ( 0.000 -13.880 0.000) 13.880 13.657 ( 0.000 -1.349 0.000) 1.349 13.774 ( 0.000 19.975 0.000) 19.975 13.928 ( 0.000 7.667 0.000) 7.667 14.446 ( 0.000 -2.438 0.000) 2.438 14.466 ( 0.000 22.538 0.000) 22.538 14.671 ( 0.000 0.628 0.000) 0.628 16.762 ( 0.000 -0.197 0.000) 0.197 18.396 ( 0.000 -3.183 0.000) 3.183 18.779 ( 0.000 -6.004 0.000) 6.004 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 17.261 23.608 0.000) 29.246 1.408 ( 5.367 29.789 0.000) 30.268 1.787 ( 25.305 9.192 0.000) 26.923 2.618 ( 11.846 51.832 0.000) 53.168 2.845 ( 5.414 15.603 0.000) 16.516 3.081 ( -1.643 1.721 0.000) 2.379 3.306 ( 2.701 4.388 0.000) 5.153 3.432 ( 2.099 12.977 0.000) 13.146 3.466 ( -7.836 2.561 0.000) 8.244 3.896 ( -2.391 10.576 0.000) 10.843 3.977 ( -1.249 22.292 0.000) 22.327 3.988 ( -4.991 -0.308 0.000) 5.001 4.042 ( -0.764 9.688 0.000) 9.718 4.098 ( -1.399 22.567 0.000) 22.610 4.334 ( -3.772 15.186 0.000) 15.648 4.485 ( 3.923 13.376 0.000) 13.939 4.490 ( -0.688 9.536 0.000) 9.561 5.057 ( 1.657 10.566 0.000) 10.695 5.125 ( 8.038 3.861 0.000) 8.917 5.405 ( 0.732 -1.826 0.000) 1.968 5.569 ( 1.959 -2.065 0.000) 2.846 5.675 ( 10.712 1.796 0.000) 10.861 6.021 ( 4.813 -2.836 0.000) 5.586 6.565 ( -2.538 -0.252 0.000) 2.551 6.600 ( -2.131 -3.813 0.000) 4.368 7.052 ( 1.884 18.942 0.000) 19.035 7.142 ( 3.026 -4.616 0.000) 5.519 7.351 ( 1.387 20.174 0.000) 20.222 7.487 ( -4.030 -7.080 0.000) 8.146 7.677 ( 1.406 12.301 0.000) 12.381 7.839 ( -3.143 10.398 0.000) 10.863 8.499 ( 11.754 0.237 0.000) 11.756 8.777 ( -4.524 -6.234 0.000) 7.703 9.596 ( 2.864 3.922 0.000) 4.856 9.888 ( 10.401 7.034 0.000) 12.556 10.821 ( -4.228 -2.707 0.000) 5.020 11.940 ( -4.762 -3.083 0.000) 5.672 11.998 ( 1.130 -23.787 0.000) 23.814 12.612 ( -2.650 -13.812 0.000) 14.064 13.533 ( -14.360 -10.099 0.000) 17.555 13.778 ( 0.467 20.303 0.000) 20.309 13.820 ( -4.107 20.087 0.000) 20.503 14.342 ( -8.211 7.708 0.000) 11.262 14.425 ( -4.155 22.953 0.000) 23.326 15.030 ( 29.760 -2.086 0.000) 29.834 16.758 ( 1.420 -1.682 0.000) 2.202 18.359 ( -3.977 -3.184 0.000) 5.095 18.697 ( -8.453 -5.527 0.000) 10.099 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 11.620 25.032 0.000) 27.598 1.738 ( 20.017 16.912 0.000) 26.205 2.339 ( 28.432 3.915 0.000) 28.700 2.857 ( 10.793 30.368 0.000) 32.229 3.016 ( 11.351 25.729 0.000) 28.122 3.036 ( -3.032 0.657 0.000) 3.103 3.331 ( -4.264 4.343 0.000) 6.087 3.384 ( 5.014 3.472 0.000) 6.099 3.474 ( 1.888 11.360 0.000) 11.516 3.831 ( -4.213 13.481 0.000) 14.124 3.876 ( -8.346 24.313 0.000) 25.705 3.898 ( -2.979 0.862 0.000) 3.101 4.014 ( -1.929 10.364 0.000) 10.542 4.120 ( 2.840 17.956 0.000) 18.179 4.255 ( -4.258 14.353 0.000) 14.972 4.467 ( -1.519 9.279 0.000) 9.402 4.544 ( 2.171 12.897 0.000) 13.079 5.030 ( -5.437 4.312 0.000) 6.939 5.247 ( 5.114 5.909 0.000) 7.815 5.446 ( 5.265 2.537 0.000) 5.844 5.697 ( 9.980 -1.499 0.000) 10.092 5.943 ( 15.055 -6.091 0.000) 16.241 6.101 ( 2.676 -1.624 0.000) 3.131 6.495 ( -4.218 0.365 0.000) 4.234 6.562 ( -0.769 -3.853 0.000) 3.929 7.096 ( 2.405 17.286 0.000) 17.452 7.165 ( -1.543 -4.378 0.000) 4.642 7.385 ( -6.593 -6.929 0.000) 9.565 7.388 ( 2.447 21.479 0.000) 21.618 7.646 ( -3.070 17.642 0.000) 17.907 7.857 ( 3.209 11.559 0.000) 11.996 8.650 ( -8.638 -4.163 0.000) 9.589 8.782 ( 18.110 1.156 0.000) 18.147 9.675 ( 5.314 2.971 0.000) 6.088 10.098 ( 9.539 -1.170 0.000) 9.611 10.696 ( -8.880 -3.954 0.000) 9.720 11.853 ( -3.125 -4.899 0.000) 5.811 12.028 ( 1.964 -20.867 0.000) 20.959 12.542 ( -4.432 -13.806 0.000) 14.500 13.193 ( -18.760 -8.699 0.000) 20.679 13.792 ( 1.027 21.251 0.000) 21.275 13.800 ( 0.767 22.068 0.000) 22.081 14.178 ( -8.111 22.133 0.000) 23.572 14.316 ( -6.964 23.955 0.000) 24.947 15.676 ( 36.285 -4.649 0.000) 36.581 16.869 ( 10.299 -5.727 0.000) 11.784 18.243 ( -8.155 -3.274 0.000) 8.787 18.465 ( -15.575 -4.556 0.000) 16.228 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 16.817 18.771 0.000) 25.203 2.117 ( 19.417 11.541 0.000) 22.588 2.695 ( 4.195 4.588 0.000) 6.216 2.958 ( -5.499 -0.630 0.000) 5.535 3.032 ( 5.789 21.146 0.000) 21.924 3.187 ( 13.200 4.556 0.000) 13.964 3.372 ( 4.794 17.500 0.000) 18.145 3.458 ( -0.949 12.794 0.000) 12.829 3.478 ( -0.627 6.028 0.000) 6.060 3.725 ( -4.901 16.110 0.000) 16.839 3.750 ( -3.610 15.334 0.000) 15.753 3.902 ( -0.148 3.598 0.000) 3.601 4.017 ( 6.295 14.829 0.000) 16.110 4.163 ( 0.845 14.231 0.000) 14.256 4.186 ( -2.034 13.259 0.000) 13.414 4.446 ( -0.281 11.406 0.000) 11.409 4.565 ( 0.041 12.921 0.000) 12.921 4.872 ( -10.252 4.536 0.000) 11.211 5.352 ( 6.431 5.374 0.000) 8.381 5.588 ( 8.123 3.460 0.000) 8.830 5.861 ( 3.608 -1.157 0.000) 3.789 6.135 ( 1.651 -3.845 0.000) 4.184 6.151 ( 5.961 -0.557 0.000) 5.987 6.465 ( 3.091 -1.766 0.000) 3.560 6.603 ( 5.127 -3.172 0.000) 6.029 7.074 ( -7.592 -3.612 0.000) 8.407 7.133 ( 1.130 13.174 0.000) 13.223 7.244 ( -7.484 -6.294 0.000) 9.779 7.440 ( 2.936 22.103 0.000) 22.298 7.598 ( -2.131 18.319 0.000) 18.442 7.919 ( 3.765 16.511 0.000) 16.935 8.453 ( -11.653 -0.401 0.000) 11.660 9.187 ( 23.345 -1.358 0.000) 23.384 9.792 ( 6.515 1.997 0.000) 6.814 10.207 ( 1.480 -1.957 0.000) 2.454 10.480 ( -13.568 -5.164 0.000) 14.517 11.848 ( 2.659 -8.667 0.000) 9.065 12.063 ( 1.165 -16.214 0.000) 16.256 12.460 ( -3.363 -14.162 0.000) 14.556 12.857 ( -15.864 -7.852 0.000) 17.701 13.818 ( 1.665 22.702 0.000) 22.763 13.831 ( 2.254 23.073 0.000) 23.183 14.047 ( -5.482 26.920 0.000) 27.473 14.173 ( -7.575 24.932 0.000) 26.058 16.379 ( 36.410 -5.191 0.000) 36.778 17.131 ( 16.325 -7.234 0.000) 17.856 18.041 ( -13.698 -3.529 0.000) 14.145 18.113 ( -20.282 -4.089 0.000) 20.690 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 18.119 13.065 0.000) 22.337 2.431 ( 5.358 8.200 0.000) 9.795 2.596 ( -2.379 6.390 0.000) 6.818 2.800 ( -11.531 0.720 0.000) 11.554 3.165 ( 8.273 16.795 0.000) 18.722 3.329 ( -8.727 18.914 0.000) 20.831 3.379 ( 3.102 10.856 0.000) 11.291 3.441 ( -3.781 10.051 0.000) 10.738 3.523 ( 11.811 5.743 0.000) 13.134 3.677 ( -4.196 6.183 0.000) 7.472 3.746 ( 4.167 8.905 0.000) 9.832 3.839 ( -4.769 5.273 0.000) 7.109 4.113 ( 0.760 16.343 0.000) 16.360 4.144 ( -2.248 12.793 0.000) 12.989 4.315 ( 14.138 12.427 0.000) 18.823 4.457 ( 0.330 14.020 0.000) 14.024 4.553 ( -0.620 13.386 0.000) 13.400 4.655 ( -11.706 9.231 0.000) 14.908 5.500 ( 8.822 2.484 0.000) 9.165 5.653 ( -4.560 -0.599 0.000) 4.599 5.891 ( 5.463 3.958 0.000) 6.746 6.043 ( -8.239 1.843 0.000) 8.443 6.356 ( 12.296 -1.087 0.000) 12.344 6.516 ( -2.215 -2.415 0.000) 3.277 6.737 ( 8.260 -2.962 0.000) 8.775 6.905 ( -9.163 -3.073 0.000) 9.664 7.134 ( -0.767 5.532 0.000) 5.585 7.138 ( -2.576 -2.998 0.000) 3.952 7.498 ( 3.028 21.563 0.000) 21.774 7.553 ( -2.670 19.977 0.000) 20.154 8.027 ( 7.979 13.892 0.000) 16.020 8.222 ( -11.813 6.115 0.000) 13.302 9.630 ( 21.435 -3.552 0.000) 21.727 9.880 ( -0.743 -0.277 0.000) 0.793 10.176 ( -3.267 -0.694 0.000) 3.340 10.213 ( -11.211 -4.045 0.000) 11.919 11.939 ( 6.076 -11.243 0.000) 12.780 12.043 ( -3.749 -12.474 0.000) 13.025 12.455 ( 3.680 -13.156 0.000) 13.661 12.599 ( -10.870 -9.778 0.000) 14.621 13.855 ( 2.029 24.356 0.000) 24.440 13.873 ( 1.177 24.523 0.000) 24.551 13.980 ( -0.633 26.293 0.000) 26.301 14.041 ( -5.842 25.360 0.000) 26.024 17.046 ( 32.859 -4.563 0.000) 33.175 17.463 ( 17.680 -6.324 0.000) 18.777 17.624 ( -27.303 -3.793 0.000) 27.566 17.788 ( -16.039 -4.943 0.000) 16.783 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.000 27.016 0.000) 27.016 1.801 ( 0.000 15.336 0.000) 15.336 1.947 ( 0.000 26.988 0.000) 26.988 3.035 ( 0.000 9.661 0.000) 9.661 3.153 ( 0.000 3.540 0.000) 3.540 3.390 ( 0.000 5.854 0.000) 5.854 3.495 ( 0.000 30.513 0.000) 30.513 3.616 ( 0.000 6.079 0.000) 6.079 3.660 ( 0.000 17.972 0.000) 17.972 4.039 ( 0.000 1.787 0.000) 1.787 4.050 ( 0.000 5.207 0.000) 5.207 4.170 ( 0.000 2.488 0.000) 2.488 4.377 ( 0.000 19.838 0.000) 19.838 4.683 ( 0.000 28.047 0.000) 28.047 4.689 ( 0.000 14.742 0.000) 14.742 4.779 ( 0.000 16.710 0.000) 16.710 4.788 ( 0.000 20.157 0.000) 20.157 5.158 ( 0.000 10.038 0.000) 10.038 5.355 ( 0.000 19.059 0.000) 19.059 5.383 ( 0.000 -0.673 0.000) 0.673 5.536 ( 0.000 1.258 0.000) 1.258 5.742 ( 0.000 8.670 0.000) 8.670 5.888 ( 0.000 -3.049 0.000) 3.049 6.513 ( 0.000 -6.962 0.000) 6.962 6.610 ( 0.000 2.813 0.000) 2.813 6.989 ( 0.000 -6.782 0.000) 6.782 7.358 ( 0.000 -9.258 0.000) 9.258 7.431 ( 0.000 18.805 0.000) 18.805 7.720 ( 0.000 2.035 0.000) 2.035 7.773 ( 0.000 22.860 0.000) 22.860 8.310 ( 0.000 24.255 0.000) 24.255 8.324 ( 0.000 -2.195 0.000) 2.195 8.669 ( 0.000 -7.348 0.000) 7.348 9.667 ( 0.000 5.121 0.000) 5.121 10.070 ( 0.000 14.681 0.000) 14.681 10.726 ( 0.000 -12.731 0.000) 12.731 11.604 ( 0.000 -11.770 0.000) 11.770 11.929 ( 0.000 -3.116 0.000) 3.116 12.325 ( 0.000 -16.828 0.000) 16.828 13.402 ( 0.000 -17.588 0.000) 17.588 14.140 ( 0.000 5.873 0.000) 5.873 14.195 ( 0.000 21.074 0.000) 21.074 14.388 ( 0.000 -3.277 0.000) 3.277 14.851 ( 0.000 15.730 0.000) 15.730 14.853 ( 0.000 18.162 0.000) 18.162 16.746 ( 0.000 -1.517 0.000) 1.517 18.327 ( 0.000 -3.643 0.000) 3.643 18.642 ( 0.000 -7.519 0.000) 7.519 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 10.406 23.826 0.000) 25.999 1.975 ( 3.017 26.322 0.000) 26.495 1.997 ( 18.793 11.717 0.000) 22.146 3.070 ( 3.511 9.521 0.000) 10.148 3.132 ( -2.286 3.271 0.000) 3.991 3.397 ( 0.974 4.800 0.000) 4.898 3.519 ( -2.003 8.701 0.000) 8.929 3.624 ( 0.699 5.524 0.000) 5.568 3.634 ( 1.925 36.108 0.000) 36.160 3.994 ( -3.477 3.218 0.000) 4.737 4.051 ( 0.220 5.996 0.000) 6.000 4.173 ( 0.047 4.238 0.000) 4.239 4.410 ( 2.634 20.729 0.000) 20.895 4.600 ( -7.471 24.092 0.000) 25.224 4.661 ( -2.658 16.867 0.000) 17.075 4.782 ( -0.896 19.220 0.000) 19.241 4.819 ( 2.463 18.391 0.000) 18.555 5.231 ( -8.489 1.101 0.000) 8.560 5.244 ( 7.515 8.196 0.000) 11.120 5.470 ( 5.786 13.010 0.000) 14.239 5.564 ( 3.995 2.322 0.000) 4.621 5.779 ( 4.355 7.215 0.000) 8.428 5.976 ( 7.088 -1.073 0.000) 7.169 6.498 ( -1.306 -5.968 0.000) 6.109 6.589 ( -2.132 2.903 0.000) 3.602 7.026 ( 2.947 -6.884 0.000) 7.488 7.323 ( -3.527 -8.854 0.000) 9.531 7.435 ( 0.127 17.481 0.000) 17.482 7.794 ( 2.098 23.046 0.000) 23.141 7.803 ( 8.101 2.996 0.000) 8.638 8.143 ( -7.095 14.593 0.000) 16.226 8.551 ( 13.389 7.412 0.000) 15.304 8.648 ( -2.144 -5.683 0.000) 6.074 9.685 ( 1.905 4.603 0.000) 4.982 10.099 ( 2.862 12.247 0.000) 12.577 10.680 ( -4.804 -12.566 0.000) 13.453 11.629 ( 2.606 -11.581 0.000) 11.871 11.878 ( -4.832 -2.871 0.000) 5.620 12.303 ( -2.266 -16.503 0.000) 16.658 13.268 ( -12.434 -15.318 0.000) 19.729 14.158 ( 1.883 10.530 0.000) 10.697 14.203 ( 0.903 21.159 0.000) 21.178 14.428 ( 3.459 1.809 0.000) 3.903 14.821 ( -3.107 16.309 0.000) 16.602 15.085 ( 22.365 9.768 0.000) 24.405 16.733 ( -0.320 -1.326 0.000) 1.364 18.289 ( -3.995 -3.645 0.000) 5.408 18.570 ( -7.466 -6.991 0.000) 10.228 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 6.943 24.016 0.000) 25.000 2.082 ( 12.959 17.250 0.000) 21.576 2.425 ( 23.265 4.988 0.000) 23.793 3.066 ( -4.512 2.219 0.000) 5.029 3.167 ( 6.570 9.610 0.000) 11.641 3.391 ( -8.350 5.926 0.000) 10.239 3.432 ( 2.633 2.157 0.000) 3.403 3.637 ( 0.405 4.154 0.000) 4.174 3.715 ( 1.440 19.303 0.000) 19.356 3.974 ( 1.933 8.971 0.000) 9.177 4.063 ( 0.928 9.378 0.000) 9.424 4.200 ( 5.218 15.645 0.000) 16.493 4.371 ( -10.779 22.746 0.000) 25.171 4.477 ( -2.653 16.982 0.000) 17.188 4.596 ( -3.933 18.350 0.000) 18.767 4.735 ( -2.636 15.858 0.000) 16.076 4.859 ( 1.509 17.122 0.000) 17.189 5.100 ( -4.463 3.247 0.000) 5.519 5.382 ( 6.125 7.419 0.000) 9.621 5.586 ( 6.108 10.704 0.000) 12.324 5.699 ( 9.309 2.697 0.000) 9.692 5.922 ( 10.178 3.009 0.000) 10.614 6.099 ( 5.178 2.164 0.000) 5.612 6.485 ( 0.823 -3.529 0.000) 3.624 6.532 ( -3.450 3.466 0.000) 4.890 7.055 ( -0.788 -6.585 0.000) 6.632 7.228 ( -6.256 -8.171 0.000) 10.291 7.420 ( -2.140 13.057 0.000) 13.232 7.846 ( 3.118 23.420 0.000) 23.627 7.976 ( 6.321 10.328 0.000) 12.109 8.067 ( 1.554 13.413 0.000) 13.503 8.590 ( -3.777 -0.610 0.000) 3.826 8.830 ( 16.045 4.508 0.000) 16.666 9.741 ( 4.021 3.311 0.000) 5.209 10.167 ( 3.707 6.704 0.000) 7.660 10.543 ( -9.433 -11.960 0.000) 15.233 11.700 ( 4.654 -11.021 0.000) 11.964 11.774 ( -5.201 -3.093 0.000) 6.051 12.243 ( -3.773 -15.501 0.000) 15.954 12.987 ( -15.875 -11.584 0.000) 19.652 14.206 ( 3.014 16.296 0.000) 16.572 14.229 ( 1.795 21.363 0.000) 21.438 14.487 ( 1.900 9.918 0.000) 10.099 14.738 ( -5.367 17.803 0.000) 18.594 15.629 ( 32.916 1.276 0.000) 32.940 16.786 ( 6.953 -2.841 0.000) 7.511 18.171 ( -8.347 -3.728 0.000) 9.142 18.359 ( -14.450 -5.823 0.000) 15.579 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 11.143 20.025 0.000) 22.916 2.330 ( 12.896 9.969 0.000) 16.300 2.776 ( 9.622 3.657 0.000) 10.294 2.958 ( -6.894 0.522 0.000) 6.914 3.256 ( -0.681 4.083 0.000) 4.139 3.331 ( 7.829 8.675 0.000) 11.685 3.488 ( 2.812 -0.659 0.000) 2.888 3.627 ( -1.766 2.985 0.000) 3.469 3.702 ( -0.418 10.319 0.000) 10.328 3.975 ( -2.048 2.857 0.000) 3.515 4.069 ( -1.416 14.517 0.000) 14.586 4.115 ( -13.835 18.415 0.000) 23.033 4.395 ( -4.605 9.199 0.000) 10.287 4.421 ( 15.132 28.146 0.000) 31.956 4.517 ( -4.076 17.993 0.000) 18.449 4.733 ( 1.901 15.208 0.000) 15.326 4.874 ( 0.066 16.478 0.000) 16.478 5.036 ( -3.211 12.888 0.000) 13.282 5.484 ( 5.018 7.350 0.000) 8.900 5.690 ( 3.656 6.438 0.000) 7.404 5.864 ( 6.727 1.473 0.000) 6.887 6.103 ( 5.997 0.993 0.000) 6.078 6.200 ( 7.255 6.187 0.000) 9.535 6.491 ( 0.561 3.710 0.000) 3.752 6.549 ( 5.669 -1.944 0.000) 5.993 6.987 ( -6.055 -5.072 0.000) 7.898 7.094 ( -6.999 -7.711 0.000) 10.414 7.337 ( -6.820 5.662 0.000) 8.864 7.905 ( 2.919 23.586 0.000) 23.766 7.993 ( -0.467 19.841 0.000) 19.846 8.204 ( 7.766 11.750 0.000) 14.084 8.509 ( -4.501 6.818 0.000) 8.170 9.170 ( 19.344 0.084 0.000) 19.344 9.832 ( 4.895 1.619 0.000) 5.156 10.213 ( 0.414 2.297 0.000) 2.334 10.327 ( -12.741 -10.295 0.000) 16.381 11.710 ( -0.953 -5.139 0.000) 5.227 11.791 ( 3.993 -10.491 0.000) 11.225 12.178 ( -1.993 -13.483 0.000) 13.629 12.685 ( -15.317 -9.168 0.000) 17.851 14.271 ( 3.617 19.285 0.000) 19.621 14.271 ( 2.537 21.519 0.000) 21.668 14.489 ( -1.365 17.066 0.000) 17.121 14.625 ( -6.181 19.585 0.000) 20.537 16.295 ( 35.623 -2.483 0.000) 35.709 17.006 ( 15.432 -5.108 0.000) 16.255 17.965 ( -13.748 -3.952 0.000) 14.305 18.022 ( -20.341 -4.912 0.000) 20.926 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 13.305 15.532 0.000) 20.451 2.571 ( 11.737 4.639 0.000) 12.621 2.734 ( -9.903 9.165 0.000) 13.494 2.798 ( -9.891 -0.243 0.000) 9.894 3.369 ( 9.858 0.435 0.000) 9.868 3.475 ( 5.608 4.674 0.000) 7.300 3.510 ( -1.982 -2.584 0.000) 3.257 3.559 ( -4.982 4.794 0.000) 6.914 3.751 ( 5.798 11.359 0.000) 12.753 3.890 ( -8.853 13.259 0.000) 15.943 3.937 ( -0.757 5.219 0.000) 5.274 3.988 ( -5.700 12.695 0.000) 13.916 4.371 ( 1.958 9.941 0.000) 10.132 4.435 ( -4.048 15.108 0.000) 15.641 4.691 ( 10.839 24.392 0.000) 26.692 4.770 ( 0.995 16.461 0.000) 16.491 4.873 ( 0.665 17.323 0.000) 17.335 4.950 ( -5.893 19.622 0.000) 20.488 5.586 ( 5.612 5.847 0.000) 8.104 5.685 ( -3.850 3.864 0.000) 5.455 5.982 ( 6.563 4.485 0.000) 7.949 6.101 ( -4.790 3.700 0.000) 6.053 6.389 ( 10.781 5.045 0.000) 11.903 6.525 ( -1.222 3.368 0.000) 3.582 6.683 ( 7.952 -2.142 0.000) 8.236 6.842 ( -8.422 -3.021 0.000) 8.947 7.025 ( 2.118 -7.164 0.000) 7.471 7.167 ( -10.034 -2.056 0.000) 10.242 7.953 ( 2.030 23.141 0.000) 23.230 7.982 ( -0.948 21.877 0.000) 21.898 8.327 ( 5.403 14.847 0.000) 15.800 8.422 ( -4.666 13.068 0.000) 13.876 9.549 ( 19.392 -4.333 0.000) 19.870 9.847 ( -7.976 -3.682 0.000) 8.785 10.132 ( -3.105 -3.482 0.000) 4.665 10.176 ( -3.768 0.603 0.000) 3.816 11.739 ( 3.541 -8.379 0.000) 9.096 11.809 ( -2.432 -10.455 0.000) 10.734 12.218 ( 6.819 -10.214 0.000) 12.281 12.414 ( -12.719 -8.652 0.000) 15.383 14.321 ( 2.396 21.246 0.000) 21.381 14.333 ( 2.022 20.353 0.000) 20.453 14.461 ( -0.335 20.834 0.000) 20.837 14.513 ( -5.073 20.955 0.000) 21.560 16.960 ( 33.142 -3.693 0.000) 33.348 17.341 ( 18.568 -5.621 0.000) 19.400 17.544 ( -27.581 -4.008 0.000) 27.871 17.687 ( -17.030 -5.019 0.000) 17.754 ======================= Grid point 36 (21/120) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 0.000 16.654 0.000) 16.654 2.252 ( 0.000 24.095 0.000) 24.095 2.435 ( 0.000 21.648 0.000) 21.648 3.200 ( 0.000 7.406 0.000) 7.406 3.236 ( 0.000 4.672 0.000) 4.672 3.505 ( 0.000 5.409 0.000) 5.409 3.658 ( 0.000 3.955 0.000) 3.955 3.677 ( 0.000 0.940 0.000) 0.940 3.927 ( 0.000 -0.998 0.000) 0.998 4.150 ( 0.000 -4.071 0.000) 4.071 4.152 ( 0.000 5.006 0.000) 5.006 4.498 ( 0.000 34.130 0.000) 34.130 4.757 ( 0.000 17.865 0.000) 17.865 4.956 ( 0.000 11.549 0.000) 11.549 5.089 ( 0.000 5.935 0.000) 5.935 5.098 ( 0.000 13.991 0.000) 13.991 5.194 ( 0.000 20.451 0.000) 20.451 5.404 ( 0.000 13.189 0.000) 13.189 5.447 ( 0.000 12.403 0.000) 12.403 5.670 ( 0.000 12.502 0.000) 12.502 5.673 ( 0.000 6.982 0.000) 6.982 5.903 ( 0.000 7.297 0.000) 7.297 5.937 ( 0.000 12.915 0.000) 12.915 6.358 ( 0.000 -8.050 0.000) 8.050 6.709 ( 0.000 7.087 0.000) 7.087 6.837 ( 0.000 -7.886 0.000) 7.886 7.172 ( 0.000 -9.125 0.000) 9.125 7.703 ( 0.000 5.874 0.000) 5.874 7.760 ( 0.000 2.223 0.000) 2.223 8.219 ( 0.000 20.991 0.000) 20.991 8.275 ( 0.000 -2.747 0.000) 2.747 8.582 ( 0.000 0.568 0.000) 0.568 8.820 ( 0.000 25.900 0.000) 25.900 9.752 ( 0.000 2.684 0.000) 2.684 10.337 ( 0.000 11.348 0.000) 11.348 10.365 ( 0.000 -21.361 0.000) 21.361 11.506 ( 0.000 0.191 0.000) 0.191 11.876 ( 0.000 -2.003 0.000) 2.003 11.993 ( 0.000 -15.439 0.000) 15.439 13.032 ( 0.000 -18.569 0.000) 18.569 14.171 ( 0.000 -0.996 0.000) 0.996 14.317 ( 0.000 -3.726 0.000) 3.726 14.588 ( 0.000 17.583 0.000) 17.583 15.098 ( 0.000 9.086 0.000) 9.086 15.294 ( 0.000 22.965 0.000) 22.965 16.698 ( 0.000 -3.348 0.000) 3.348 18.255 ( 0.000 -3.443 0.000) 3.443 18.486 ( 0.000 -7.833 0.000) 7.833 ======================= Grid point 37 (22/120) ======================= q-point: ( 0.11 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 10.806 13.562 0.000) 17.341 2.318 ( 6.709 21.580 0.000) 22.599 2.454 ( 2.095 21.448 0.000) 21.550 3.208 ( -3.081 4.212 0.000) 5.218 3.231 ( 3.296 7.261 0.000) 7.974 3.491 ( -1.239 4.325 0.000) 4.499 3.618 ( -4.129 4.516 0.000) 6.119 3.678 ( 0.039 0.806 0.000) 0.807 3.891 ( -3.274 -0.766 0.000) 3.362 4.102 ( -3.819 -2.489 0.000) 4.559 4.158 ( 1.091 4.906 0.000) 5.026 4.581 ( 7.899 32.536 0.000) 33.481 4.800 ( 3.596 17.927 0.000) 18.284 4.963 ( -9.832 12.430 0.000) 15.849 4.964 ( 0.172 12.763 0.000) 12.764 5.154 ( -2.395 -3.020 0.000) 3.855 5.197 ( 0.368 19.533 0.000) 19.537 5.224 ( -10.445 18.209 0.000) 20.992 5.447 ( 4.176 11.187 0.000) 11.941 5.683 ( 2.249 10.106 0.000) 10.354 5.801 ( 5.802 14.918 0.000) 16.006 5.928 ( 2.873 7.276 0.000) 7.823 6.029 ( 8.836 8.418 0.000) 12.204 6.381 ( 2.398 -4.734 0.000) 5.306 6.686 ( -2.199 6.419 0.000) 6.785 6.875 ( 3.013 -7.462 0.000) 8.048 7.146 ( -2.611 -8.523 0.000) 8.914 7.668 ( -3.815 3.769 0.000) 5.363 7.853 ( 9.334 2.361 0.000) 9.628 8.243 ( 2.366 21.122 0.000) 21.254 8.281 ( 0.808 0.904 0.000) 1.213 8.606 ( 2.480 3.033 0.000) 3.918 8.872 ( 5.247 22.128 0.000) 22.741 9.759 ( 0.782 2.094 0.000) 2.236 10.331 ( -3.563 -20.597 0.000) 20.903 10.333 ( -0.491 10.249 0.000) 10.260 11.525 ( 1.956 -0.393 0.000) 1.995 11.832 ( -4.260 -1.555 0.000) 4.535 11.981 ( -1.236 -14.779 0.000) 14.831 12.945 ( -8.439 -16.460 0.000) 18.498 14.249 ( 7.445 0.551 0.000) 7.465 14.416 ( 9.053 -2.635 0.000) 9.429 14.596 ( 0.816 17.434 0.000) 17.453 15.079 ( -2.008 9.560 0.000) 9.768 15.405 ( 11.863 19.389 0.000) 22.730 16.693 ( 0.090 -2.807 0.000) 2.809 18.217 ( -4.035 -3.472 0.000) 5.323 18.424 ( -6.484 -7.375 0.000) 9.820 ======================= Grid point 38 (23/120) ======================= q-point: ( 0.22 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 6.124 14.040 0.000) 15.318 2.517 ( 4.478 20.483 0.000) 20.967 2.551 ( 15.981 8.362 0.000) 18.036 3.118 ( -6.263 2.758 0.000) 6.843 3.326 ( 6.389 6.906 0.000) 9.408 3.468 ( -1.003 1.237 0.000) 1.592 3.503 ( -7.629 5.470 0.000) 9.387 3.675 ( -0.446 0.527 0.000) 0.690 3.829 ( -2.416 0.702 0.000) 2.516 4.037 ( -2.731 -1.687 0.000) 3.210 4.206 ( 3.869 5.360 0.000) 6.611 4.711 ( -15.719 11.429 0.000) 19.435 4.776 ( 11.718 29.889 0.000) 32.104 4.788 ( -11.126 10.941 0.000) 15.604 4.943 ( -2.184 15.927 0.000) 16.076 4.958 ( -1.122 7.080 0.000) 7.169 5.203 ( 0.036 17.559 0.000) 17.559 5.280 ( 5.536 14.566 0.000) 15.582 5.540 ( 4.970 8.086 0.000) 9.491 5.748 ( 4.281 7.506 0.000) 8.641 5.878 ( 2.747 11.679 0.000) 11.998 6.024 ( 7.057 6.294 0.000) 9.456 6.212 ( 9.352 8.618 0.000) 12.718 6.451 ( 4.921 1.760 0.000) 5.226 6.631 ( -3.210 5.843 0.000) 6.666 6.911 ( -0.021 -7.066 0.000) 7.066 7.077 ( -4.418 -6.356 0.000) 7.740 7.550 ( -8.555 -0.672 0.000) 8.581 8.087 ( 14.020 3.443 0.000) 14.436 8.300 ( 3.397 21.406 0.000) 21.673 8.316 ( 3.038 7.980 0.000) 8.539 8.667 ( 3.422 8.392 0.000) 9.063 9.011 ( 9.077 14.179 0.000) 16.835 9.786 ( 2.135 0.417 0.000) 2.176 10.229 ( -6.906 -18.192 0.000) 19.459 10.317 ( -1.249 7.225 0.000) 7.332 11.579 ( 3.473 -2.160 0.000) 4.090 11.732 ( -5.538 -0.921 0.000) 5.614 11.951 ( -1.486 -12.670 0.000) 12.757 12.741 ( -12.162 -12.683 0.000) 17.572 14.415 ( 8.883 5.162 0.000) 10.274 14.603 ( 9.148 1.926 0.000) 9.349 14.618 ( 1.538 16.968 0.000) 17.038 15.024 ( -3.617 10.790 0.000) 11.380 15.754 ( 24.259 10.507 0.000) 26.437 16.736 ( 5.377 -2.600 0.000) 5.973 18.097 ( -8.539 -3.605 0.000) 9.269 18.237 ( -13.132 -6.265 0.000) 14.550 ======================= Grid point 39 (24/120) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 5.447 7.964 0.000) 9.649 2.627 ( 7.077 17.974 0.000) 19.316 2.843 ( 12.912 3.070 0.000) 13.272 2.975 ( -8.416 1.111 0.000) 8.489 3.342 ( -7.589 4.655 0.000) 8.903 3.451 ( -1.096 -3.073 0.000) 3.262 3.460 ( 6.398 5.132 0.000) 8.202 3.657 ( -1.465 0.798 0.000) 1.668 3.824 ( 2.339 3.763 0.000) 4.431 4.003 ( -0.644 0.261 0.000) 0.695 4.259 ( -2.632 5.204 0.000) 5.832 4.424 ( -11.767 12.564 0.000) 17.214 4.535 ( -9.637 4.405 0.000) 10.596 4.842 ( -5.189 14.584 0.000) 15.479 5.013 ( 3.944 12.723 0.000) 13.320 5.046 ( 12.558 29.013 0.000) 31.614 5.191 ( -1.316 15.506 0.000) 15.562 5.371 ( 3.219 17.961 0.000) 18.247 5.630 ( 4.480 6.937 0.000) 8.258 5.817 ( 1.326 5.716 0.000) 5.868 5.933 ( 4.534 5.979 0.000) 7.504 6.164 ( 5.695 4.443 0.000) 7.223 6.382 ( 8.610 9.658 0.000) 12.939 6.563 ( 6.541 5.512 0.000) 8.554 6.589 ( 0.076 5.026 0.000) 5.026 6.867 ( -4.130 -6.381 0.000) 7.601 6.982 ( -5.405 -2.314 0.000) 5.879 7.343 ( -12.810 -4.319 0.000) 13.518 8.321 ( 7.562 10.363 0.000) 12.829 8.362 ( 2.776 21.475 0.000) 21.653 8.413 ( 8.607 10.467 0.000) 13.551 8.716 ( 1.181 12.671 0.000) 12.726 9.215 ( 12.205 5.271 0.000) 13.295 9.828 ( 0.863 -3.126 0.000) 3.243 10.086 ( -6.492 -12.473 0.000) 14.062 10.277 ( -3.210 3.428 0.000) 4.696 11.639 ( 2.006 -5.107 0.000) 5.487 11.643 ( -3.287 -1.440 0.000) 3.589 11.948 ( 2.048 -8.838 0.000) 9.072 12.497 ( -13.018 -9.446 0.000) 16.084 14.565 ( 6.681 10.011 0.000) 12.036 14.652 ( 1.888 16.089 0.000) 16.200 14.736 ( 4.581 7.780 0.000) 9.029 14.945 ( -4.510 12.259 0.000) 13.062 16.298 ( 31.365 2.758 0.000) 31.486 16.921 ( 13.845 -3.739 0.000) 14.341 17.886 ( -13.826 -3.850 0.000) 14.352 17.921 ( -19.631 -5.042 0.000) 20.268 ======================= Grid point 40 (25/120) ======================= q-point: ( 0.44 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 7.321 2.210 0.000) 7.647 2.760 ( 1.016 6.106 0.000) 6.190 2.829 ( -1.074 9.094 0.000) 9.157 2.944 ( -3.955 10.483 0.000) 11.204 3.299 ( 4.660 -4.850 0.000) 6.726 3.406 ( -4.209 -6.872 0.000) 8.059 3.560 ( 3.927 3.346 0.000) 5.159 3.619 ( -2.506 2.027 0.000) 3.223 3.919 ( 7.065 6.014 0.000) 9.278 4.031 ( 4.535 3.790 0.000) 5.910 4.082 ( -10.307 6.175 0.000) 12.015 4.195 ( -11.842 7.291 0.000) 13.906 4.563 ( 7.373 9.486 0.000) 12.014 4.714 ( -7.708 12.534 0.000) 14.714 5.087 ( 3.623 14.096 0.000) 14.554 5.148 ( -2.632 16.246 0.000) 16.458 5.267 ( 9.053 23.871 0.000) 25.530 5.381 ( -2.586 21.547 0.000) 21.702 5.714 ( 4.259 6.366 0.000) 7.659 5.789 ( -3.297 5.690 0.000) 6.576 6.058 ( 7.342 3.479 0.000) 8.125 6.177 ( -4.059 3.656 0.000) 5.463 6.541 ( 7.678 7.489 0.000) 10.725 6.635 ( 0.416 6.219 0.000) 6.233 6.692 ( 6.693 5.544 0.000) 8.691 6.793 ( -2.889 -2.319 0.000) 3.705 6.901 ( 0.311 -2.789 0.000) 2.806 7.079 ( -13.930 -6.030 0.000) 15.179 8.393 ( 1.629 18.109 0.000) 18.183 8.399 ( 0.938 20.687 0.000) 20.709 8.592 ( 7.973 11.253 0.000) 13.791 8.699 ( -3.168 13.511 0.000) 13.878 9.470 ( 13.950 -3.062 0.000) 14.282 9.723 ( -11.375 -8.194 0.000) 14.019 10.077 ( 4.842 -2.566 0.000) 5.480 10.190 ( -5.784 0.388 0.000) 5.797 11.616 ( 0.344 -3.663 0.000) 3.679 11.640 ( -1.433 -6.029 0.000) 6.197 12.052 ( 8.612 -6.389 0.000) 10.724 12.255 ( -12.004 -7.208 0.000) 14.002 14.664 ( 3.294 12.587 0.000) 13.011 14.683 ( 0.920 14.564 0.000) 14.593 14.794 ( 2.401 12.197 0.000) 12.431 14.858 ( -4.285 13.238 0.000) 13.914 16.908 ( 31.382 -1.404 0.000) 31.414 17.240 ( 18.479 -4.589 0.000) 19.040 17.469 ( -26.684 -3.452 0.000) 26.907 17.591 ( -17.522 -4.499 0.000) 18.090 ======================= Grid point 45 (26/120) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 0.000 16.994 0.000) 16.994 2.697 ( 0.000 20.059 0.000) 20.059 2.816 ( 0.000 16.533 0.000) 16.533 3.335 ( 0.000 4.875 0.000) 4.875 3.350 ( 0.000 7.749 0.000) 7.749 3.598 ( 0.000 3.744 0.000) 3.744 3.679 ( 0.000 -0.442 0.000) 0.442 3.731 ( 0.000 3.266 0.000) 3.266 3.875 ( 0.000 -3.533 0.000) 3.533 4.022 ( 0.000 -8.319 0.000) 8.319 4.255 ( 0.000 5.451 0.000) 5.451 5.025 ( 0.000 -5.071 0.000) 5.071 5.033 ( 0.000 18.759 0.000) 18.759 5.093 ( 0.000 12.917 0.000) 12.917 5.164 ( 0.000 9.602 0.000) 9.602 5.306 ( 0.000 6.373 0.000) 6.373 5.596 ( 0.000 17.991 0.000) 17.991 5.623 ( 0.000 7.508 0.000) 7.508 5.729 ( 0.000 2.773 0.000) 2.773 5.739 ( 0.000 13.686 0.000) 13.686 6.013 ( 0.000 15.652 0.000) 15.652 6.044 ( 0.000 7.256 0.000) 7.256 6.230 ( 0.000 -0.706 0.000) 0.706 6.291 ( 0.000 17.660 0.000) 17.660 6.708 ( 0.000 -3.617 0.000) 3.617 6.880 ( 0.000 9.266 0.000) 9.266 6.996 ( 0.000 -8.288 0.000) 8.288 7.640 ( 0.000 -10.376 0.000) 10.376 7.814 ( 0.000 3.174 0.000) 3.174 8.213 ( 0.000 -3.433 0.000) 3.433 8.595 ( 0.000 16.231 0.000) 16.231 8.705 ( 0.000 9.774 0.000) 9.774 9.327 ( 0.000 24.313 0.000) 24.313 9.750 ( 0.000 -3.146 0.000) 3.146 9.941 ( 0.000 -19.612 0.000) 19.612 10.505 ( 0.000 5.048 0.000) 5.048 11.548 ( 0.000 2.978 0.000) 2.978 11.739 ( 0.000 -9.227 0.000) 9.227 11.856 ( 0.000 0.229 0.000) 0.229 12.677 ( 0.000 -16.526 0.000) 16.526 14.138 ( 0.000 -1.808 0.000) 1.808 14.242 ( 0.000 -3.694 0.000) 3.694 14.888 ( 0.000 12.279 0.000) 12.279 15.226 ( 0.000 3.973 0.000) 3.973 15.712 ( 0.000 18.163 0.000) 18.163 16.613 ( 0.000 -4.981 0.000) 4.981 18.191 ( 0.000 -2.878 0.000) 2.878 18.336 ( 0.000 -6.935 0.000) 6.935 ======================= Grid point 46 (27/120) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 5.084 13.963 0.000) 14.859 2.722 ( 2.197 18.231 0.000) 18.362 2.834 ( 1.844 16.492 0.000) 16.595 3.295 ( -4.209 4.369 0.000) 6.066 3.378 ( 2.945 7.532 0.000) 8.088 3.562 ( -3.538 2.592 0.000) 4.386 3.679 ( -0.068 -0.461 0.000) 0.466 3.703 ( -3.146 3.698 0.000) 4.855 3.850 ( -2.097 -2.884 0.000) 3.566 3.998 ( -1.950 -7.002 0.000) 7.268 4.256 ( 0.695 5.117 0.000) 5.164 5.001 ( -3.607 -6.390 0.000) 7.338 5.091 ( 5.596 17.734 0.000) 18.596 5.120 ( 1.478 12.978 0.000) 13.062 5.167 ( -12.844 5.219 0.000) 13.864 5.183 ( 1.509 9.650 0.000) 9.767 5.528 ( -6.202 11.369 0.000) 12.951 5.589 ( -0.585 16.701 0.000) 16.711 5.642 ( 1.828 8.137 0.000) 8.340 5.907 ( 4.138 9.726 0.000) 10.570 6.052 ( 2.500 9.157 0.000) 9.492 6.071 ( 2.847 7.203 0.000) 7.745 6.228 ( 4.850 9.524 0.000) 10.688 6.426 ( 9.700 11.740 0.000) 15.228 6.725 ( 0.977 -2.915 0.000) 3.075 6.854 ( -2.306 4.690 0.000) 5.227 7.001 ( 0.566 -4.077 0.000) 4.116 7.583 ( -5.767 -10.406 0.000) 11.897 7.905 ( 9.201 2.884 0.000) 9.643 8.258 ( 4.668 -2.367 0.000) 5.234 8.623 ( 2.718 16.474 0.000) 16.696 8.759 ( 5.302 10.320 0.000) 11.602 9.337 ( 1.022 23.126 0.000) 23.148 9.744 ( -0.619 -3.936 0.000) 3.985 9.921 ( -2.057 -18.971 0.000) 19.083 10.485 ( -2.071 4.572 0.000) 5.019 11.554 ( 0.606 2.260 0.000) 2.339 11.744 ( 0.537 -8.197 0.000) 8.215 11.822 ( -3.355 0.731 0.000) 3.434 12.625 ( -5.276 -15.167 0.000) 16.058 14.234 ( 9.414 -1.394 0.000) 9.517 14.347 ( 10.245 -3.805 0.000) 10.929 14.891 ( 0.360 12.016 0.000) 12.022 15.214 ( -1.265 4.231 0.000) 4.416 15.777 ( 6.983 16.687 0.000) 18.089 16.619 ( 0.952 -4.509 0.000) 4.609 18.152 ( -4.152 -2.956 0.000) 5.097 18.282 ( -5.700 -6.613 0.000) 8.731 ======================= Grid point 47 (28/120) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 3.892 8.277 0.000) 9.146 2.774 ( 3.987 12.019 0.000) 12.663 2.885 ( 3.313 16.180 0.000) 16.516 3.173 ( -8.242 2.786 0.000) 8.700 3.459 ( 5.187 6.527 0.000) 8.337 3.475 ( -5.175 -0.497 0.000) 5.199 3.605 ( -7.104 4.449 0.000) 8.383 3.676 ( -0.258 -0.382 0.000) 0.461 3.826 ( 0.439 -0.740 0.000) 0.860 3.975 ( -0.044 -3.742 0.000) 3.743 4.298 ( 3.420 4.190 0.000) 5.409 4.823 ( -14.068 -2.605 0.000) 14.307 4.887 ( -14.694 6.062 0.000) 15.896 5.154 ( 2.243 9.013 0.000) 9.288 5.170 ( -0.892 11.959 0.000) 11.992 5.248 ( 7.464 12.702 0.000) 14.732 5.537 ( 5.588 10.696 0.000) 12.068 5.577 ( -0.509 16.616 0.000) 16.624 5.690 ( 3.177 7.078 0.000) 7.758 5.943 ( 0.682 9.980 0.000) 10.003 6.070 ( 0.268 7.477 0.000) 7.482 6.153 ( 5.564 6.330 0.000) 8.428 6.388 ( 9.339 10.268 0.000) 13.880 6.617 ( 9.805 12.819 0.000) 16.139 6.702 ( -3.766 -0.284 0.000) 3.776 6.818 ( -1.204 -1.646 0.000) 2.039 7.018 ( 1.108 2.090 0.000) 2.366 7.427 ( -10.284 -10.150 0.000) 14.450 8.143 ( 14.869 2.379 0.000) 15.058 8.387 ( 8.535 0.292 0.000) 8.540 8.688 ( 3.736 16.979 0.000) 17.385 8.882 ( 6.533 11.527 0.000) 13.250 9.364 ( 1.776 19.534 0.000) 19.614 9.727 ( -1.359 -7.205 0.000) 7.332 9.873 ( -2.241 -15.559 0.000) 15.719 10.426 ( -4.106 3.164 0.000) 5.183 11.568 ( 0.738 0.332 0.000) 0.809 11.740 ( -4.861 1.726 0.000) 5.158 11.766 ( 1.982 -5.530 0.000) 5.875 12.489 ( -8.509 -12.226 0.000) 14.896 14.461 ( 13.074 0.382 0.000) 13.080 14.588 ( 13.535 -2.542 0.000) 13.772 14.901 ( 0.614 11.241 0.000) 11.257 15.178 ( -2.442 4.896 0.000) 5.472 15.993 ( 15.988 12.029 0.000) 20.007 16.672 ( 5.337 -3.831 0.000) 6.570 18.029 ( -8.824 -3.206 0.000) 9.388 18.115 ( -11.897 -5.756 0.000) 13.216 ======================= Grid point 48 (29/120) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 0.255 5.306 0.000) 5.312 2.899 ( 8.397 2.330 0.000) 8.715 2.930 ( -2.474 9.277 0.000) 9.601 3.026 ( -2.706 6.852 0.000) 7.367 3.371 ( -5.670 -4.580 0.000) 7.288 3.445 ( -9.032 5.622 0.000) 10.639 3.554 ( 4.280 4.403 0.000) 6.140 3.668 ( -0.580 0.222 0.000) 0.621 3.882 ( 5.357 2.273 0.000) 5.819 3.999 ( 2.587 -0.428 0.000) 2.623 4.325 ( -3.889 2.175 0.000) 4.456 4.562 ( -14.289 0.384 0.000) 14.295 4.656 ( -3.452 9.427 0.000) 10.039 5.094 ( -6.453 10.852 0.000) 12.625 5.216 ( 4.064 6.584 0.000) 7.737 5.380 ( 4.076 8.764 0.000) 9.665 5.589 ( 2.857 17.334 0.000) 17.568 5.665 ( 6.358 10.761 0.000) 12.499 5.759 ( 3.815 6.162 0.000) 7.248 5.938 ( -1.436 6.309 0.000) 6.470 6.085 ( 1.725 8.448 0.000) 8.622 6.258 ( 3.853 4.491 0.000) 5.918 6.548 ( 7.211 9.280 0.000) 11.752 6.630 ( -1.617 -1.769 0.000) 2.397 6.789 ( 7.976 13.752 0.000) 15.898 6.790 ( -1.946 0.756 0.000) 2.087 7.030 ( -0.202 6.557 0.000) 6.560 7.201 ( -13.034 -8.985 0.000) 15.831 8.436 ( 14.656 3.056 0.000) 14.971 8.570 ( 10.279 3.792 0.000) 10.956 8.749 ( 2.164 16.727 0.000) 16.866 8.970 ( 1.824 11.824 0.000) 11.964 9.404 ( 2.463 13.181 0.000) 13.409 9.669 ( -5.008 -11.748 0.000) 12.771 9.882 ( 3.951 -8.141 0.000) 9.049 10.326 ( -6.423 1.025 0.000) 6.504 11.577 ( 0.121 -1.044 0.000) 1.051 11.652 ( -4.022 2.196 0.000) 4.583 11.830 ( 4.883 -3.403 0.000) 5.952 12.311 ( -9.860 -9.044 0.000) 13.380 14.692 ( 10.427 3.423 0.000) 10.975 14.818 ( 9.688 0.987 0.000) 9.738 14.912 ( 0.407 9.959 0.000) 9.967 15.122 ( -3.466 5.652 0.000) 6.630 16.388 ( 24.665 5.495 0.000) 25.269 16.845 ( 12.932 -3.938 0.000) 13.518 17.811 ( -14.029 -3.592 0.000) 14.481 17.824 ( -18.404 -4.547 0.000) 18.958 ======================= Grid point 49 (30/120) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 3.568 2.082 0.000) 4.131 2.787 ( -7.965 0.741 0.000) 7.999 3.062 ( 7.640 -1.432 0.000) 7.773 3.090 ( 4.800 12.250 0.000) 13.157 3.261 ( -5.322 -6.681 0.000) 8.542 3.281 ( -7.289 5.913 0.000) 9.386 3.617 ( 2.414 2.521 0.000) 3.491 3.652 ( -1.256 1.231 0.000) 1.759 4.012 ( 7.468 3.458 0.000) 8.229 4.089 ( 7.584 2.161 0.000) 7.886 4.169 ( -9.253 3.047 0.000) 9.742 4.291 ( -12.931 2.769 0.000) 13.224 4.750 ( 9.197 9.070 0.000) 12.918 4.937 ( -9.569 9.859 0.000) 13.740 5.301 ( 4.589 6.727 0.000) 8.143 5.378 ( -2.994 7.511 0.000) 8.086 5.688 ( 5.694 15.297 0.000) 16.322 5.742 ( 0.897 13.204 0.000) 13.235 5.827 ( 3.131 4.858 0.000) 5.780 5.888 ( -3.394 4.110 0.000) 5.330 6.148 ( 4.796 5.764 0.000) 7.499 6.247 ( -4.420 3.457 0.000) 5.611 6.663 ( 4.870 7.170 0.000) 8.668 6.704 ( 7.797 -5.167 0.000) 9.354 6.745 ( -1.638 6.479 0.000) 6.683 6.907 ( -0.011 9.774 0.000) 9.774 6.955 ( -7.881 -2.985 0.000) 8.428 7.003 ( -2.739 9.980 0.000) 10.349 8.660 ( 8.107 7.937 0.000) 11.346 8.754 ( -2.032 13.871 0.000) 14.019 8.775 ( 10.534 6.469 0.000) 12.362 8.935 ( -5.467 9.605 0.000) 11.052 9.464 ( 3.929 3.539 0.000) 5.288 9.558 ( -5.809 -6.919 0.000) 9.034 10.010 ( 8.600 -4.216 0.000) 9.578 10.181 ( -8.627 -1.442 0.000) 8.746 11.578 ( 0.206 -0.203 0.000) 0.289 11.595 ( -1.838 1.425 0.000) 2.326 11.953 ( 7.836 -3.902 0.000) 8.754 12.122 ( -9.611 -6.125 0.000) 11.397 14.846 ( 5.543 6.022 0.000) 8.184 14.908 ( -1.238 8.149 0.000) 8.242 14.957 ( 5.408 4.524 0.000) 7.051 15.047 ( -4.278 5.918 0.000) 7.302 16.899 ( 27.652 0.329 0.000) 27.654 17.152 ( 18.203 -4.292 0.000) 18.702 17.407 ( -24.646 -2.685 0.000) 24.792 17.505 ( -17.865 -4.135 0.000) 18.337 ======================= Grid point 54 (31/120) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 0.000 16.311 0.000) 16.311 3.048 ( 0.000 14.635 0.000) 14.635 3.102 ( 0.000 12.099 0.000) 12.099 3.417 ( 0.000 2.730 0.000) 2.730 3.507 ( 0.000 7.594 0.000) 7.594 3.653 ( 0.000 1.760 0.000) 1.760 3.665 ( 0.000 -0.774 0.000) 0.774 3.770 ( 0.000 -1.412 0.000) 1.412 3.798 ( 0.000 -2.482 0.000) 2.482 3.832 ( 0.000 -9.984 0.000) 9.984 4.377 ( 0.000 6.854 0.000) 6.854 4.873 ( 0.000 -8.387 0.000) 8.387 5.296 ( 0.000 8.776 0.000) 8.776 5.328 ( 0.000 8.639 0.000) 8.639 5.342 ( 0.000 7.774 0.000) 7.774 5.376 ( 0.000 1.783 0.000) 1.783 5.700 ( 0.000 1.072 0.000) 1.072 5.809 ( 0.000 4.467 0.000) 4.467 5.817 ( 0.000 3.286 0.000) 3.286 5.953 ( 0.000 2.622 0.000) 2.622 6.096 ( 0.000 7.653 0.000) 7.653 6.206 ( 0.000 8.767 0.000) 8.767 6.512 ( 0.000 18.471 0.000) 18.471 6.565 ( 0.000 8.515 0.000) 8.515 6.703 ( 0.000 -0.970 0.000) 0.970 6.879 ( 0.000 0.273 0.000) 0.273 7.045 ( 0.000 6.363 0.000) 6.363 7.369 ( 0.000 -15.104 0.000) 15.104 7.886 ( 0.000 3.939 0.000) 3.939 8.138 ( 0.000 -4.031 0.000) 4.031 8.860 ( 0.000 10.097 0.000) 10.097 8.896 ( 0.000 8.085 0.000) 8.085 9.615 ( 0.000 -12.335 0.000) 12.335 9.635 ( 0.000 -7.492 0.000) 7.492 9.782 ( 0.000 20.798 0.000) 20.798 10.532 ( 0.000 -2.478 0.000) 2.478 11.602 ( 0.000 2.027 0.000) 2.027 11.627 ( 0.000 -2.386 0.000) 2.386 11.890 ( 0.000 3.139 0.000) 3.139 12.377 ( 0.000 -13.341 0.000) 13.341 14.108 ( 0.000 -1.062 0.000) 1.062 14.173 ( 0.000 -3.082 0.000) 3.082 15.084 ( 0.000 7.502 0.000) 7.502 15.269 ( 0.000 0.570 0.000) 0.570 16.017 ( 0.000 12.431 0.000) 12.431 16.502 ( 0.000 -5.990 0.000) 5.990 18.142 ( 0.000 -1.888 0.000) 1.888 18.215 ( 0.000 -4.953 0.000) 4.953 ======================= Grid point 55 (32/120) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -0.354 13.708 0.000) 13.712 3.034 ( -1.946 12.320 0.000) 12.472 3.118 ( 1.658 11.909 0.000) 12.024 3.374 ( -4.786 3.105 0.000) 5.705 3.528 ( 2.186 7.093 0.000) 7.423 3.594 ( -5.502 0.742 0.000) 5.552 3.661 ( -0.662 -1.408 0.000) 1.556 3.751 ( -2.092 0.245 0.000) 2.106 3.778 ( -1.014 -4.019 0.000) 4.145 3.852 ( 1.890 -6.316 0.000) 6.593 4.372 ( -0.028 6.572 0.000) 6.572 4.851 ( -2.860 -8.072 0.000) 8.563 5.240 ( -11.861 2.934 0.000) 12.219 5.317 ( -2.296 5.586 0.000) 6.040 5.340 ( 4.231 8.261 0.000) 9.281 5.361 ( 1.548 8.031 0.000) 8.179 5.706 ( 0.670 1.315 0.000) 1.476 5.727 ( -3.581 8.965 0.000) 9.654 5.822 ( 0.318 3.281 0.000) 3.296 6.011 ( 3.440 -0.522 0.000) 3.480 6.177 ( 5.455 9.892 0.000) 11.296 6.222 ( 1.781 7.920 0.000) 8.118 6.533 ( 3.474 15.870 0.000) 16.245 6.662 ( 8.387 9.022 0.000) 12.318 6.698 ( -1.156 -3.639 0.000) 3.818 6.865 ( -0.644 4.001 0.000) 4.052 7.066 ( 2.013 5.537 0.000) 5.892 7.322 ( -4.728 -14.194 0.000) 14.961 7.969 ( 8.436 3.512 0.000) 9.138 8.198 ( 6.120 -3.488 0.000) 7.044 8.895 ( 3.401 10.548 0.000) 11.083 8.955 ( 5.801 8.204 0.000) 10.048 9.583 ( -2.995 -11.249 0.000) 11.641 9.634 ( -0.261 -9.068 0.000) 9.072 9.775 ( -0.776 20.167 0.000) 20.182 10.507 ( -2.614 -2.536 0.000) 3.642 11.590 ( -0.552 1.248 0.000) 1.365 11.655 ( 2.271 -1.374 0.000) 2.654 11.865 ( -2.505 3.498 0.000) 4.302 12.345 ( -3.268 -12.597 0.000) 13.014 14.207 ( 9.933 -1.016 0.000) 9.985 14.275 ( 10.138 -3.249 0.000) 10.646 15.082 ( -0.182 7.263 0.000) 7.265 15.260 ( -0.927 0.664 0.000) 1.141 16.060 ( 4.626 11.607 0.000) 12.495 16.516 ( 1.704 -5.633 0.000) 5.885 18.101 ( -4.359 -2.000 0.000) 4.796 18.166 ( -5.178 -4.758 0.000) 7.032 ======================= Grid point 56 (33/120) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -1.468 8.102 0.000) 8.234 2.969 ( -4.119 6.605 0.000) 7.785 3.162 ( 2.414 11.208 0.000) 11.465 3.229 ( -9.696 2.738 0.000) 10.075 3.456 ( -8.392 -0.943 0.000) 8.445 3.584 ( 3.180 5.657 0.000) 6.490 3.653 ( -0.027 -2.206 0.000) 2.206 3.675 ( -5.338 2.546 0.000) 5.914 3.806 ( 3.913 -1.009 0.000) 4.041 3.905 ( 3.567 -3.081 0.000) 4.714 4.388 ( 1.259 4.992 0.000) 5.148 4.739 ( -8.935 -5.225 0.000) 10.350 4.997 ( -12.231 5.318 0.000) 13.337 5.253 ( -2.330 0.913 0.000) 2.502 5.369 ( -1.555 8.502 0.000) 8.643 5.436 ( 5.161 6.835 0.000) 8.565 5.728 ( 1.596 2.061 0.000) 2.607 5.743 ( 4.278 10.072 0.000) 10.943 5.827 ( 0.511 2.568 0.000) 2.618 6.049 ( 0.412 0.954 0.000) 1.039 6.246 ( 1.896 10.748 0.000) 10.914 6.274 ( 3.526 5.808 0.000) 6.794 6.637 ( -4.861 -5.649 0.000) 7.453 6.641 ( 6.833 12.605 0.000) 14.338 6.843 ( 9.693 7.833 0.000) 12.462 6.880 ( 1.999 8.442 0.000) 8.675 7.117 ( 3.178 5.210 0.000) 6.103 7.198 ( -7.868 -11.140 0.000) 13.638 8.190 ( 13.986 2.420 0.000) 14.194 8.362 ( 10.571 -2.372 0.000) 10.834 8.973 ( 4.071 11.339 0.000) 12.048 9.092 ( 7.425 8.999 0.000) 11.667 9.508 ( -4.570 -11.532 0.000) 12.404 9.638 ( 1.443 -9.739 0.000) 9.845 9.750 ( -1.897 18.274 0.000) 18.372 10.432 ( -5.238 -2.791 0.000) 5.935 11.587 ( 0.159 1.703 0.000) 1.710 11.708 ( 3.290 -1.325 0.000) 3.547 11.801 ( -3.918 4.271 0.000) 5.796 12.258 ( -5.650 -10.740 0.000) 12.135 14.455 ( 14.852 -0.484 0.000) 14.860 14.528 ( 15.117 -3.068 0.000) 15.425 15.077 ( -0.440 6.562 0.000) 6.577 15.233 ( -1.904 0.920 0.000) 2.115 16.206 ( 11.118 9.042 0.000) 14.331 16.584 ( 5.894 -4.908 0.000) 7.670 17.972 ( -9.248 -2.341 0.000) 9.540 18.013 ( -10.945 -4.188 0.000) 11.719 ======================= Grid point 57 (34/120) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -2.473 4.323 0.000) 4.980 2.923 ( 0.141 -0.170 0.000) 0.220 3.008 ( -11.547 2.491 0.000) 11.812 3.211 ( -0.785 3.091 0.000) 3.190 3.309 ( -4.172 3.139 0.000) 5.221 3.563 ( -6.094 5.819 0.000) 8.426 3.634 ( 1.926 3.443 0.000) 3.945 3.657 ( 0.398 -1.591 0.000) 1.640 3.917 ( 7.291 1.272 0.000) 7.401 3.988 ( 5.222 -0.722 0.000) 5.271 4.366 ( -5.128 2.253 0.000) 5.601 4.540 ( -11.208 -2.152 0.000) 11.413 4.840 ( -1.704 9.024 0.000) 9.183 5.263 ( 3.053 -1.561 0.000) 3.429 5.286 ( -7.016 8.448 0.000) 10.982 5.501 ( 0.618 3.669 0.000) 3.720 5.769 ( 3.126 3.327 0.000) 4.565 5.840 ( 4.923 7.528 0.000) 8.995 5.858 ( 2.760 1.938 0.000) 3.373 6.028 ( -2.525 2.272 0.000) 3.396 6.267 ( 0.609 9.663 0.000) 9.682 6.339 ( 2.099 3.690 0.000) 4.245 6.554 ( -2.081 -4.522 0.000) 4.978 6.754 ( 3.893 7.782 0.000) 8.702 6.922 ( 1.933 10.730 0.000) 10.902 6.989 ( 1.189 -0.291 0.000) 1.224 7.063 ( -1.329 3.154 0.000) 3.423 7.173 ( 2.241 6.052 0.000) 6.453 8.477 ( 15.262 1.423 0.000) 15.328 8.586 ( 12.469 -1.289 0.000) 12.535 9.014 ( -0.658 9.392 0.000) 9.416 9.175 ( -0.823 8.186 0.000) 8.227 9.445 ( -0.202 -8.708 0.000) 8.710 9.699 ( -3.500 15.098 0.000) 15.498 9.721 ( 7.612 -8.044 0.000) 11.074 10.305 ( -8.009 -3.330 0.000) 8.674 11.596 ( 0.818 2.656 0.000) 2.779 11.724 ( -3.845 4.832 0.000) 6.175 11.782 ( 4.505 -1.978 0.000) 4.920 12.136 ( -6.837 -8.335 0.000) 10.781 14.730 ( 12.867 0.888 0.000) 12.898 14.805 ( 12.771 -1.665 0.000) 12.879 15.063 ( -1.124 5.444 0.000) 5.559 15.186 ( -3.051 1.219 0.000) 3.286 16.496 ( 19.056 5.007 0.000) 19.703 16.761 ( 12.893 -4.404 0.000) 13.624 17.744 ( -16.470 -3.187 0.000) 16.775 17.745 ( -15.126 -2.918 0.000) 15.405 ======================= Grid point 58 (35/120) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 1.656 2.767 0.000) 3.225 2.814 ( -7.937 2.127 0.000) 8.217 2.974 ( 4.843 -5.323 0.000) 7.197 3.095 ( -7.457 -6.632 0.000) 9.979 3.349 ( 4.684 10.318 0.000) 11.331 3.449 ( -5.679 8.678 0.000) 10.371 3.659 ( 0.683 1.418 0.000) 1.574 3.663 ( 0.121 -0.275 0.000) 0.301 4.064 ( 7.622 1.886 0.000) 7.852 4.119 ( 8.854 0.698 0.000) 8.882 4.218 ( -8.641 2.107 0.000) 8.895 4.318 ( -11.513 0.042 0.000) 11.513 4.928 ( 8.744 8.818 0.000) 12.419 5.117 ( -10.075 8.290 0.000) 13.047 5.350 ( 5.507 -1.558 0.000) 5.724 5.454 ( -4.766 0.211 0.000) 4.771 5.856 ( 5.476 3.394 0.000) 6.442 5.910 ( 1.926 3.471 0.000) 3.970 5.910 ( 1.962 4.011 0.000) 4.465 5.957 ( -4.720 2.697 0.000) 5.436 6.282 ( 1.308 7.353 0.000) 7.468 6.323 ( -2.658 4.225 0.000) 4.992 6.602 ( 6.152 -4.797 0.000) 7.801 6.734 ( -6.007 -4.759 0.000) 7.664 6.942 ( -0.313 9.508 0.000) 9.513 6.944 ( 0.315 12.175 0.000) 12.179 7.144 ( 4.164 8.499 0.000) 9.464 7.191 ( -0.654 7.341 0.000) 7.370 8.747 ( 12.317 1.923 0.000) 12.466 8.828 ( 12.673 -0.508 0.000) 12.683 8.936 ( -7.294 4.811 0.000) 8.738 9.054 ( -10.178 1.366 0.000) 10.270 9.509 ( 5.445 3.142 0.000) 6.286 9.615 ( -5.166 10.430 0.000) 11.639 9.912 ( 11.360 -5.502 0.000) 12.623 10.126 ( -10.571 -4.141 0.000) 11.353 11.619 ( 1.612 3.800 0.000) 4.128 11.660 ( -2.766 4.678 0.000) 5.434 11.881 ( 5.854 -3.513 0.000) 6.827 12.004 ( -6.817 -5.782 0.000) 8.939 14.927 ( 7.536 2.478 0.000) 7.933 14.999 ( 7.682 0.256 0.000) 7.687 15.025 ( -3.148 4.005 0.000) 5.094 15.114 ( -4.681 1.222 0.000) 4.838 16.914 ( 23.696 1.055 0.000) 23.719 17.067 ( 18.333 -4.071 0.000) 18.780 17.363 ( -22.339 -1.620 0.000) 22.398 17.427 ( -18.386 -3.540 0.000) 18.724 ======================= Grid point 63 (36/120) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 0.000 13.113 0.000) 13.113 3.241 ( 0.000 2.134 0.000) 2.134 3.304 ( 0.000 8.029 0.000) 8.029 3.418 ( 0.000 -2.982 0.000) 2.982 3.606 ( 0.000 0.435 0.000) 0.435 3.661 ( 0.000 0.453 0.000) 0.453 3.670 ( 0.000 -0.029 0.000) 0.029 3.671 ( 0.000 -5.697 0.000) 5.697 3.706 ( 0.000 1.477 0.000) 1.477 3.773 ( 0.000 -2.504 0.000) 2.504 4.529 ( 0.000 8.204 0.000) 8.204 4.700 ( 0.000 -8.715 0.000) 8.715 5.408 ( 0.000 1.563 0.000) 1.563 5.420 ( 0.000 3.999 0.000) 3.999 5.422 ( 0.000 1.080 0.000) 1.080 5.448 ( 0.000 1.924 0.000) 1.924 5.719 ( 0.000 2.108 0.000) 2.108 5.790 ( 0.000 -3.951 0.000) 3.951 5.884 ( 0.000 2.748 0.000) 2.748 5.926 ( 0.000 -1.862 0.000) 1.862 6.361 ( 0.000 14.540 0.000) 14.540 6.389 ( 0.000 9.407 0.000) 9.407 6.576 ( 0.000 -8.898 0.000) 8.898 6.592 ( 0.000 -6.303 0.000) 6.303 6.835 ( 0.000 13.589 0.000) 13.589 7.012 ( 0.000 7.938 0.000) 7.938 7.084 ( 0.000 -12.652 0.000) 12.652 7.106 ( 0.000 -0.793 0.000) 0.793 7.968 ( 0.000 4.228 0.000) 4.228 8.054 ( 0.000 -4.291 0.000) 4.291 8.997 ( 0.000 3.555 0.000) 3.555 9.005 ( 0.000 2.644 0.000) 2.644 9.464 ( 0.000 -2.653 0.000) 2.653 9.496 ( 0.000 -5.237 0.000) 5.237 10.151 ( 0.000 15.839 0.000) 15.839 10.409 ( 0.000 -9.657 0.000) 9.657 11.616 ( 0.000 0.488 0.000) 0.488 11.623 ( 0.000 0.151 0.000) 0.151 11.984 ( 0.000 6.324 0.000) 6.324 12.145 ( 0.000 -9.787 0.000) 9.787 14.100 ( 0.000 0.342 0.000) 0.342 14.123 ( 0.000 -1.883 0.000) 1.883 15.198 ( 0.000 4.123 0.000) 4.123 15.256 ( 0.000 -1.768 0.000) 1.768 16.224 ( 0.000 8.566 0.000) 8.566 16.375 ( 0.000 -6.788 0.000) 6.788 18.120 ( 0.000 -0.139 0.000) 0.139 18.142 ( 0.000 -2.344 0.000) 2.344 ======================= Grid point 64 (37/120) ======================= q-point: ( 0.11 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( -5.006 10.846 0.000) 11.945 3.174 ( -6.596 0.228 0.000) 6.600 3.311 ( 0.580 7.229 0.000) 7.252 3.399 ( -2.628 -1.283 0.000) 2.925 3.603 ( -5.842 0.594 0.000) 5.872 3.627 ( -3.539 -1.685 0.000) 3.920 3.631 ( 2.488 2.592 0.000) 3.593 3.699 ( 1.969 -4.249 0.000) 4.683 3.726 ( 2.166 1.405 0.000) 2.581 3.782 ( 1.416 -2.419 0.000) 2.803 4.519 ( -0.818 7.949 0.000) 7.991 4.685 ( -1.745 -8.395 0.000) 8.575 5.299 ( -9.631 3.101 0.000) 10.118 5.351 ( -6.912 -1.353 0.000) 7.043 5.458 ( 3.586 3.756 0.000) 5.193 5.476 ( 2.560 2.554 0.000) 3.616 5.726 ( 0.640 1.900 0.000) 2.005 5.794 ( 0.214 -3.952 0.000) 3.958 5.882 ( 0.880 6.144 0.000) 6.206 5.971 ( 3.481 -2.988 0.000) 4.587 6.388 ( -0.110 8.496 0.000) 8.497 6.423 ( 4.757 13.388 0.000) 14.208 6.559 ( -1.777 -8.398 0.000) 8.584 6.646 ( 4.673 -6.107 0.000) 7.689 6.860 ( 3.042 11.346 0.000) 11.747 7.025 ( 1.453 8.072 0.000) 8.202 7.067 ( -1.413 -10.562 0.000) 10.656 7.119 ( 1.537 -0.882 0.000) 1.772 8.044 ( 7.618 3.878 0.000) 8.549 8.123 ( 6.937 -3.937 0.000) 7.976 9.044 ( 4.631 4.320 0.000) 6.333 9.065 ( 5.938 2.363 0.000) 6.391 9.437 ( -2.824 -2.485 0.000) 3.762 9.478 ( -1.633 -5.863 0.000) 6.086 10.134 ( -1.826 15.443 0.000) 15.551 10.385 ( -2.451 -9.447 0.000) 9.760 11.617 ( 0.426 1.484 0.000) 1.544 11.641 ( 1.576 -0.778 0.000) 1.758 11.964 ( -2.066 6.409 0.000) 6.734 12.123 ( -2.260 -9.511 0.000) 9.776 14.199 ( 9.980 0.314 0.000) 9.985 14.222 ( 9.991 -1.929 0.000) 10.176 15.193 ( -0.584 3.983 0.000) 4.026 15.249 ( -0.786 -1.705 0.000) 1.878 16.253 ( 3.250 8.054 0.000) 8.685 16.396 ( 2.380 -6.430 0.000) 6.856 18.077 ( -4.603 -0.255 0.000) 4.610 18.096 ( -4.853 -2.217 0.000) 5.336 ======================= Grid point 65 (38/120) ======================= q-point: ( 0.22 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( -6.562 6.650 0.000) 9.342 3.020 ( -8.376 -1.436 0.000) 8.499 3.281 ( -9.353 2.326 0.000) 9.638 3.301 ( -3.864 1.773 0.000) 4.251 3.479 ( -4.775 4.218 0.000) 6.371 3.582 ( -0.527 -4.784 0.000) 4.813 3.673 ( 1.285 3.063 0.000) 3.322 3.705 ( -1.367 0.078 0.000) 1.369 3.804 ( 5.999 1.265 0.000) 6.131 3.849 ( 5.272 -2.664 0.000) 5.907 4.499 ( -1.771 6.021 0.000) 6.277 4.623 ( -5.127 -6.150 0.000) 8.007 5.108 ( -8.791 5.671 0.000) 10.462 5.213 ( -5.693 -4.250 0.000) 7.105 5.507 ( -0.430 4.704 0.000) 4.724 5.531 ( 2.822 2.326 0.000) 3.657 5.748 ( 2.007 0.956 0.000) 2.224 5.797 ( 0.600 -3.531 0.000) 3.582 5.923 ( 2.850 7.298 0.000) 7.834 6.026 ( 1.906 -3.049 0.000) 3.596 6.390 ( 0.510 5.838 0.000) 5.861 6.483 ( 0.936 12.580 0.000) 12.615 6.512 ( -2.835 -6.333 0.000) 6.939 6.717 ( 1.441 -8.172 0.000) 8.298 6.956 ( 6.302 6.645 0.000) 9.158 7.059 ( 1.709 -3.530 0.000) 3.922 7.071 ( 3.202 8.332 0.000) 8.927 7.167 ( 3.308 -0.958 0.000) 3.444 8.243 ( 12.652 2.891 0.000) 12.978 8.304 ( 11.557 -3.125 0.000) 11.972 9.145 ( 4.316 6.187 0.000) 7.544 9.218 ( 9.492 1.374 0.000) 9.591 9.356 ( -5.450 -1.013 0.000) 5.543 9.457 ( 0.845 -7.979 0.000) 8.023 10.079 ( -3.950 14.299 0.000) 14.835 10.314 ( -5.073 -8.907 0.000) 10.250 11.634 ( 1.291 2.654 0.000) 2.951 11.680 ( 2.452 -1.817 0.000) 3.051 11.909 ( -3.448 6.530 0.000) 7.385 12.062 ( -3.948 -8.715 0.000) 9.568 14.453 ( 15.442 0.411 0.000) 15.448 14.476 ( 15.508 -1.932 0.000) 15.628 15.176 ( -1.225 3.560 0.000) 3.765 15.226 ( -1.640 -1.507 0.000) 2.227 16.360 ( 8.360 6.552 0.000) 10.621 16.479 ( 6.802 -5.503 0.000) 8.749 17.941 ( -9.745 -0.612 0.000) 9.764 17.952 ( -10.275 -1.820 0.000) 10.435 ======================= Grid point 66 (39/120) ======================= q-point: ( 0.33 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -4.385 4.019 0.000) 5.949 2.892 ( -4.254 -2.752 0.000) 5.066 3.067 ( -11.590 3.565 0.000) 12.126 3.149 ( -10.105 -4.472 0.000) 11.051 3.468 ( 2.221 8.001 0.000) 8.304 3.596 ( 1.537 -4.668 0.000) 4.914 3.659 ( -2.908 3.264 0.000) 4.371 3.682 ( -0.478 0.927 0.000) 1.043 3.940 ( 7.838 1.161 0.000) 7.923 3.967 ( 6.916 -1.370 0.000) 7.051 4.420 ( -6.910 3.054 0.000) 7.555 4.484 ( -8.966 -3.228 0.000) 9.530 5.019 ( 0.270 8.630 0.000) 8.635 5.175 ( 1.802 -6.612 0.000) 6.853 5.435 ( -6.778 6.232 0.000) 9.207 5.521 ( -4.181 -1.897 0.000) 4.592 5.808 ( 4.285 1.596 0.000) 4.573 5.846 ( 4.216 -1.972 0.000) 4.655 5.969 ( 1.506 5.057 0.000) 5.276 6.035 ( -1.071 -1.498 0.000) 1.842 6.407 ( 0.833 3.128 0.000) 3.237 6.470 ( -1.641 10.658 0.000) 10.784 6.472 ( -0.492 -3.598 0.000) 3.632 6.686 ( -4.008 -10.167 0.000) 10.929 7.068 ( 5.107 6.935 0.000) 8.613 7.133 ( 2.904 8.661 0.000) 9.135 7.142 ( 5.659 0.387 0.000) 5.672 7.231 ( 2.924 -0.827 0.000) 3.039 8.506 ( 14.255 1.659 0.000) 14.351 8.546 ( 13.233 -2.259 0.000) 13.424 9.138 ( -5.015 4.027 0.000) 6.432 9.215 ( -8.395 -3.646 0.000) 9.153 9.426 ( 11.066 6.171 0.000) 12.670 9.567 ( 10.105 -7.297 0.000) 12.464 9.980 ( -6.464 12.528 0.000) 14.097 10.190 ( -7.927 -8.188 0.000) 11.397 11.665 ( 2.006 3.799 0.000) 4.296 11.735 ( 3.233 -2.937 0.000) 4.367 11.838 ( -3.819 6.404 0.000) 7.456 11.978 ( -4.725 -7.466 0.000) 8.835 14.744 ( 13.957 0.817 0.000) 13.981 14.769 ( 13.980 -1.625 0.000) 14.074 15.144 ( -2.226 2.877 0.000) 3.638 15.184 ( -2.793 -1.193 0.000) 3.037 16.587 ( 15.547 4.278 0.000) 16.125 16.673 ( 13.674 -4.332 0.000) 14.343 17.700 ( -15.977 -1.079 0.000) 16.013 17.702 ( -15.220 -1.245 0.000) 15.271 ======================= Grid point 67 (40/120) ======================= q-point: ( 0.44 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( 1.232 3.769 0.000) 3.966 2.872 ( 2.220 -4.708 0.000) 5.205 2.875 ( -7.798 3.932 0.000) 8.733 2.971 ( -7.768 -5.576 0.000) 9.563 3.527 ( 3.507 7.136 0.000) 7.952 3.595 ( -3.577 5.521 0.000) 6.579 3.630 ( 1.881 -3.254 0.000) 3.759 3.663 ( -1.439 -1.310 0.000) 1.946 4.094 ( 8.245 1.299 0.000) 8.347 4.117 ( 8.831 -0.804 0.000) 8.868 4.259 ( -8.961 2.055 0.000) 9.193 4.299 ( -9.967 -1.704 0.000) 10.112 5.104 ( 7.580 8.578 0.000) 11.447 5.261 ( 6.485 -6.693 0.000) 9.319 5.273 ( -9.371 7.274 0.000) 11.863 5.401 ( -7.526 -5.038 0.000) 9.057 5.900 ( 4.945 1.701 0.000) 5.230 5.927 ( 3.665 -0.670 0.000) 3.726 5.972 ( -1.378 1.875 0.000) 2.327 5.988 ( -3.522 0.311 0.000) 3.536 6.414 ( 0.504 4.738 0.000) 4.765 6.436 ( -1.687 7.906 0.000) 8.084 6.509 ( 3.715 -4.662 0.000) 5.961 6.595 ( -4.979 -7.796 0.000) 9.250 7.145 ( 2.751 8.315 0.000) 8.758 7.168 ( 0.428 8.764 0.000) 8.775 7.233 ( 3.383 0.001 0.000) 3.383 7.264 ( 0.174 -0.493 0.000) 0.522 8.770 ( 12.924 0.941 0.000) 12.958 8.797 ( 12.777 -1.817 0.000) 12.905 8.990 ( -9.909 1.594 0.000) 10.036 9.027 ( -11.069 -2.308 0.000) 11.307 9.640 ( 10.859 7.948 0.000) 13.457 9.790 ( 12.175 -6.769 0.000) 13.930 9.832 ( -9.023 10.320 0.000) 13.708 10.011 ( -10.644 -7.393 0.000) 12.960 11.710 ( 2.687 4.904 0.000) 5.592 11.768 ( -3.392 5.841 0.000) 6.755 11.804 ( 4.004 -4.307 0.000) 5.880 11.887 ( -4.626 -5.903 0.000) 7.500 14.962 ( 8.649 1.362 0.000) 8.755 14.987 ( 8.742 -1.098 0.000) 8.811 15.083 ( -4.375 2.059 0.000) 4.835 15.113 ( -4.840 -0.936 0.000) 4.930 16.943 ( 20.804 1.906 0.000) 20.891 16.993 ( 19.116 -3.163 0.000) 19.376 17.347 ( -20.488 0.095 0.000) 20.488 17.369 ( -19.220 -2.102 0.000) 19.335 ======================= Grid point 135 (41/120) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 0.000 0.000 20.636) 20.636 0.757 ( 0.000 0.000 33.317) 33.317 1.015 ( 0.000 0.000 11.425) 11.425 1.472 ( 0.000 0.000 40.099) 40.099 2.044 ( 0.000 0.000 -22.471) 22.471 3.029 ( 0.000 0.000 -4.420) 4.420 3.144 ( 0.000 0.000 11.537) 11.537 3.157 ( 0.000 0.000 -2.583) 2.583 3.423 ( 0.000 0.000 0.396) 0.396 3.544 ( 0.000 0.000 -2.456) 2.456 3.555 ( 0.000 0.000 -3.689) 3.689 3.683 ( 0.000 0.000 9.202) 9.202 3.762 ( 0.000 0.000 3.130) 3.130 3.820 ( 0.000 0.000 -34.582) 34.582 3.887 ( 0.000 0.000 -1.764) 1.764 4.167 ( 0.000 0.000 7.606) 7.606 4.225 ( 0.000 0.000 -19.707) 19.707 4.471 ( 0.000 0.000 -0.481) 0.481 5.207 ( 0.000 0.000 7.836) 7.836 5.459 ( 0.000 0.000 -1.208) 1.208 5.532 ( 0.000 0.000 2.420) 2.420 5.728 ( 0.000 0.000 -8.392) 8.392 6.289 ( 0.000 0.000 20.512) 20.512 6.584 ( 0.000 0.000 0.089) 0.089 6.589 ( 0.000 0.000 -0.090) 0.090 6.798 ( 0.000 0.000 13.136) 13.136 7.110 ( 0.000 0.000 -9.163) 9.163 7.243 ( 0.000 0.000 0.935) 0.935 7.296 ( 0.000 0.000 -0.959) 0.959 7.349 ( 0.000 0.000 -8.732) 8.732 7.725 ( 0.000 0.000 0.805) 0.805 7.754 ( 0.000 0.000 -0.875) 0.875 8.491 ( 0.000 0.000 7.231) 7.231 8.894 ( 0.000 0.000 -6.756) 6.756 11.000 ( 0.000 0.000 11.400) 11.400 11.786 ( 0.000 0.000 -19.320) 19.320 12.902 ( 0.000 0.000 0.300) 0.300 12.918 ( 0.000 0.000 -0.276) 0.276 12.967 ( 0.000 0.000 14.551) 14.551 13.272 ( 0.000 0.000 0.267) 0.267 13.288 ( 0.000 0.000 -0.273) 0.273 13.510 ( 0.000 0.000 -8.093) 8.093 14.112 ( 0.000 0.000 5.236) 5.236 14.374 ( 0.000 0.000 -5.702) 5.702 14.599 ( 0.000 0.000 4.455) 4.455 14.755 ( 0.000 0.000 -2.123) 2.123 18.923 ( 0.000 0.000 1.114) 1.114 18.984 ( 0.000 0.000 -1.067) 1.067 ======================= Grid point 136 (42/120) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 16.775 0.000 26.255) 31.157 0.971 ( 28.465 0.000 18.445) 33.919 1.307 ( 27.791 0.000 22.341) 35.658 1.708 ( 26.297 0.000 18.007) 31.872 2.095 ( 5.219 0.000 -21.353) 21.981 2.980 ( -4.836 0.000 -7.326) 8.778 3.155 ( 0.837 0.000 10.979) 11.011 3.215 ( 5.595 0.000 -2.674) 6.201 3.383 ( -4.053 0.000 1.044) 4.185 3.489 ( -4.698 0.000 -2.611) 5.375 3.572 ( 1.020 0.000 -3.969) 4.098 3.650 ( -3.023 0.000 10.445) 10.874 3.749 ( -1.364 0.000 3.312) 3.582 3.837 ( 0.498 0.000 -26.517) 26.522 3.880 ( -0.767 0.000 -1.836) 1.990 4.178 ( 2.810 0.000 2.238) 3.592 4.278 ( 4.017 0.000 -21.155) 21.533 4.481 ( -1.248 0.000 0.139) 1.255 5.355 ( 6.267 0.000 2.824) 6.874 5.434 ( -4.025 0.000 -0.009) 4.025 5.570 ( 9.452 0.000 -2.505) 9.779 5.940 ( 15.527 0.000 -15.507) 21.944 6.294 ( 1.015 0.000 18.283) 18.312 6.603 ( 2.079 0.000 0.233) 2.092 6.616 ( 2.631 0.000 -0.233) 2.641 6.789 ( -1.638 0.000 13.915) 14.011 7.000 ( -7.831 0.000 -4.962) 9.270 7.224 ( -1.963 0.000 0.907) 2.163 7.276 ( -2.126 0.000 -0.930) 2.321 7.341 ( 1.605 0.000 -1.197) 2.002 7.652 ( -1.968 0.000 4.066) 4.517 8.201 ( 22.525 0.000 -25.575) 34.080 8.593 ( 11.124 0.000 2.948) 11.508 8.927 ( 5.621 0.000 -7.429) 9.316 10.957 ( -4.517 0.000 10.594) 11.517 11.603 ( -22.424 0.000 -6.417) 23.324 12.604 ( -33.636 0.000 44.294) 55.618 12.913 ( 1.197 0.000 0.295) 1.233 12.929 ( 1.167 0.000 -0.271) 1.198 13.140 ( -17.182 0.000 17.644) 24.628 13.263 ( -0.946 0.000 0.262) 0.981 13.278 ( -0.969 0.000 -0.269) 1.005 13.468 ( -4.959 0.000 -8.073) 9.474 13.767 ( -29.471 0.000 -5.971) 30.070 15.185 ( 38.556 0.000 8.027) 39.383 16.052 ( 50.894 0.000 -39.158) 64.215 18.749 ( -17.091 0.000 8.735) 19.194 18.824 ( -9.955 0.000 0.571) 9.971 ======================= Grid point 137 (43/120) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 22.456 0.000 17.144) 28.252 1.329 ( 14.736 0.000 28.868) 32.411 1.999 ( 38.309 0.000 13.486) 40.614 2.236 ( 9.237 0.000 -18.487) 20.666 2.344 ( 33.942 0.000 1.092) 33.959 2.871 ( -5.370 0.000 -8.213) 9.813 3.132 ( -5.642 0.000 7.264) 9.197 3.304 ( -2.469 0.000 3.010) 3.893 3.324 ( 4.500 0.000 -6.994) 8.317 3.371 ( -6.850 0.000 -1.600) 7.034 3.594 ( -2.110 0.000 13.038) 13.208 3.597 ( 1.403 0.000 -3.971) 4.212 3.713 ( -2.222 0.000 3.620) 4.248 3.833 ( 0.675 0.000 -11.029) 11.050 3.858 ( -1.528 0.000 -2.027) 2.538 4.276 ( 4.707 0.000 0.980) 4.808 4.353 ( 3.096 0.000 -21.403) 21.625 4.446 ( 0.129 0.000 -4.369) 4.371 5.260 ( -9.186 0.000 3.264) 9.749 5.499 ( 3.956 0.000 -6.116) 7.283 5.790 ( 12.620 0.000 4.641) 13.446 6.153 ( 4.585 0.000 -5.748) 7.353 6.392 ( 10.363 0.000 3.102) 10.817 6.662 ( 4.056 0.000 0.406) 4.076 6.685 ( 4.502 0.000 -0.405) 4.520 6.734 ( -3.110 0.000 15.618) 15.925 6.886 ( -3.668 0.000 -3.513) 5.079 7.169 ( -3.714 0.000 0.835) 3.806 7.217 ( -3.972 0.000 -0.854) 4.063 7.343 ( -2.093 0.000 -3.876) 4.404 7.598 ( -4.225 0.000 10.947) 11.734 8.412 ( 0.454 0.000 -22.233) 22.238 8.847 ( 16.844 0.000 3.669) 17.239 9.187 ( 18.763 0.000 -14.938) 23.983 10.823 ( -9.729 0.000 8.538) 12.944 11.065 ( -26.919 0.000 16.052) 31.341 12.319 ( -2.633 0.000 18.060) 18.251 12.922 ( -11.847 0.000 8.953) 14.849 12.946 ( 2.167 0.000 0.279) 2.185 12.961 ( 2.107 0.000 -0.256) 2.122 13.237 ( -1.769 0.000 0.250) 1.787 13.251 ( -1.817 0.000 -0.258) 1.835 13.276 ( -15.034 0.000 -9.215) 17.634 13.386 ( -9.146 0.000 -4.858) 10.357 15.919 ( 37.510 0.000 9.508) 38.696 16.734 ( 26.145 0.000 -24.834) 36.060 18.450 ( -14.479 0.000 7.026) 16.094 18.565 ( -16.604 0.000 -0.021) 16.604 ======================= Grid point 138 (44/120) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 17.559 0.000 18.818) 25.737 1.764 ( 22.972 0.000 11.187) 25.551 2.435 ( 10.944 0.000 -14.781) 18.391 2.573 ( -1.644 0.000 6.175) 6.391 2.670 ( 20.140 0.000 -11.508) 23.196 2.932 ( -13.528 0.000 4.848) 14.371 3.024 ( 17.967 0.000 11.655) 21.416 3.173 ( -10.499 0.000 -5.091) 11.668 3.360 ( 3.731 0.000 7.237) 8.142 3.397 ( 5.622 0.000 -11.402) 12.712 3.601 ( 4.788 0.000 10.324) 11.380 3.603 ( -1.777 0.000 0.185) 1.786 3.687 ( 0.496 0.000 0.509) 0.711 3.822 ( -2.207 0.000 -2.272) 3.167 3.912 ( 6.954 0.000 -1.837) 7.193 4.260 ( -4.815 0.000 -2.988) 5.667 4.370 ( -0.348 0.000 0.717) 0.797 4.545 ( 5.422 0.000 -17.726) 18.537 5.083 ( -6.973 0.000 -0.954) 7.038 5.512 ( -3.655 0.000 -15.491) 15.916 6.011 ( 9.140 0.000 14.079) 16.786 6.220 ( 5.527 0.000 0.616) 5.562 6.521 ( -0.116 0.000 10.349) 10.349 6.753 ( 5.938 0.000 3.520) 6.903 6.754 ( 5.393 0.000 0.531) 5.419 6.784 ( 5.688 0.000 -0.530) 5.713 6.862 ( 0.292 0.000 -2.970) 2.984 7.084 ( -5.066 0.000 0.748) 5.121 7.127 ( -5.321 0.000 -0.761) 5.375 7.277 ( -4.819 0.000 -0.610) 4.857 7.518 ( -1.053 0.000 7.600) 7.673 8.286 ( -11.775 0.000 -17.206) 20.850 9.265 ( 25.041 0.000 2.994) 25.219 9.540 ( 17.492 0.000 -10.928) 20.625 10.566 ( -17.015 0.000 8.681) 19.101 10.648 ( -17.542 0.000 6.870) 18.839 12.330 ( 2.284 0.000 7.721) 8.052 12.676 ( -12.220 0.000 3.095) 12.606 12.993 ( 2.665 0.000 0.251) 2.677 13.007 ( 2.534 0.000 -0.225) 2.544 13.082 ( -5.607 0.000 -2.664) 6.208 13.198 ( -2.241 0.000 0.222) 2.252 13.211 ( -2.356 0.000 -0.236) 2.368 13.232 ( -7.534 0.000 -4.210) 8.631 16.606 ( 34.107 0.000 7.856) 35.000 17.169 ( 20.631 0.000 -13.482) 24.645 18.163 ( -17.061 0.000 2.572) 17.253 18.212 ( -18.913 0.000 0.408) 18.917 ======================= Grid point 139 (45/120) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 18.766 0.000 6.826) 19.969 2.189 ( 21.074 0.000 7.043) 22.220 2.330 ( -16.400 0.000 -2.888) 16.653 2.533 ( -10.521 0.000 -0.974) 10.566 2.753 ( 4.657 0.000 -4.301) 6.339 2.954 ( -11.969 0.000 -6.977) 13.854 3.013 ( 10.942 0.000 1.175) 11.005 3.139 ( -2.772 0.000 4.740) 5.491 3.446 ( 4.855 0.000 6.256) 7.918 3.537 ( -4.447 0.000 4.432) 6.278 3.609 ( 13.751 0.000 2.772) 14.028 3.723 ( 2.609 0.000 -2.271) 3.459 3.752 ( 3.461 0.000 8.484) 9.162 3.775 ( -2.660 0.000 -2.463) 3.625 4.047 ( 7.023 0.000 -5.268) 8.779 4.168 ( -4.250 0.000 -3.903) 5.770 4.362 ( 1.811 0.000 2.682) 3.236 4.499 ( -9.273 0.000 -1.725) 9.432 5.114 ( 9.890 0.000 -16.525) 19.259 5.349 ( -12.262 0.000 -20.814) 24.157 6.157 ( 7.435 0.000 17.376) 18.900 6.281 ( -3.466 0.000 9.091) 9.730 6.566 ( 8.871 0.000 8.242) 12.109 6.757 ( -7.982 0.000 -0.986) 8.043 6.864 ( 5.995 0.000 0.611) 6.026 6.898 ( 6.194 0.000 -0.613) 6.224 6.933 ( 8.672 0.000 4.364) 9.708 6.979 ( -5.865 0.000 0.674) 5.903 7.017 ( -6.068 0.000 -0.680) 6.106 7.124 ( -10.307 0.000 6.769) 12.331 7.672 ( 15.489 0.000 -7.497) 17.207 8.002 ( -17.167 0.000 -13.476) 21.824 9.733 ( 21.538 0.000 1.915) 21.623 9.844 ( 12.547 0.000 -2.542) 12.802 10.250 ( -13.513 0.000 2.362) 13.718 10.317 ( -16.743 0.000 0.414) 16.748 12.387 ( 3.768 0.000 4.922) 6.199 12.489 ( -7.247 0.000 3.357) 7.987 13.040 ( 0.939 0.000 -1.642) 1.891 13.041 ( 2.010 0.000 0.168) 2.017 13.049 ( 1.412 0.000 -0.105) 1.416 13.105 ( -5.452 0.000 -2.975) 6.211 13.159 ( -1.302 0.000 0.108) 1.306 13.167 ( -1.882 0.000 -0.160) 1.889 17.218 ( 29.767 0.000 5.120) 30.204 17.544 ( 18.567 0.000 -6.702) 19.740 17.745 ( -25.029 0.000 2.687) 25.173 17.885 ( -16.919 0.000 -2.109) 17.050 ======================= Grid point 144 (46/120) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.000 21.513 12.037) 24.651 1.026 ( 0.000 19.890 19.552) 27.891 1.249 ( 0.000 16.335 1.474) 16.401 1.843 ( 0.000 37.516 38.146) 53.503 2.211 ( 0.000 14.578 -21.008) 25.571 3.043 ( 0.000 1.840 -2.974) 3.497 3.181 ( 0.000 2.361 -2.346) 3.328 3.278 ( 0.000 11.849 10.321) 15.714 3.565 ( 0.000 7.394 2.765) 7.894 3.620 ( 0.000 5.760 0.476) 5.780 3.670 ( 0.000 9.944 -3.535) 10.553 3.755 ( 0.000 14.397 2.125) 14.553 3.798 ( 0.000 6.869 -8.707) 11.091 4.007 ( 0.000 15.437 -16.700) 22.742 4.047 ( 0.000 13.257 -1.244) 13.316 4.151 ( 0.000 -0.752 6.962) 7.002 4.264 ( 0.000 4.263 -19.837) 20.290 4.464 ( 0.000 0.089 -2.306) 2.307 5.201 ( 0.000 -0.399 7.603) 7.614 5.441 ( 0.000 -1.204 0.411) 1.272 5.545 ( 0.000 1.463 1.075) 1.815 5.631 ( 0.000 -5.976 -3.868) 7.119 6.251 ( 0.000 -3.390 18.119) 18.434 6.641 ( 0.000 0.169 0.088) 0.191 6.694 ( 0.000 8.296 2.149) 8.570 6.786 ( 0.000 1.626 10.774) 10.896 6.895 ( 0.000 3.516 -6.458) 7.354 7.270 ( 0.000 -2.176 -0.677) 2.278 7.453 ( 0.000 13.579 2.865) 13.878 7.640 ( 0.000 -0.704 -1.404) 1.571 7.768 ( 0.000 2.048 -0.744) 2.179 8.118 ( 0.000 37.404 -31.818) 49.107 8.474 ( 0.000 -1.395 6.661) 6.805 8.857 ( 0.000 -3.561 -6.468) 7.383 10.995 ( 0.000 -0.640 10.637) 10.657 11.336 ( 0.000 -51.782 43.837) 67.846 11.852 ( 0.000 -7.170 -6.804) 9.885 12.457 ( 0.000 -30.219 -6.301) 30.869 13.083 ( 0.000 -7.126 15.168) 16.758 13.421 ( 0.000 13.754 0.191) 13.755 13.431 ( 0.000 13.155 -0.179) 13.156 13.718 ( 0.000 4.658 -12.420) 13.264 14.227 ( 0.000 12.638 10.534) 16.453 14.475 ( 0.000 -0.947 -1.070) 1.429 14.762 ( 0.000 2.449 3.753) 4.482 15.669 ( 0.000 48.899 -48.704) 69.016 18.792 ( 0.000 -12.788 9.633) 16.011 18.881 ( 0.000 -3.978 0.435) 4.002 ======================= Grid point 145 (47/120) ======================= q-point: ( 0.11 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 25.130 13.796 14.020) 31.912 1.172 ( 13.762 18.042 21.950) 31.571 1.557 ( 28.584 13.328 -0.849) 31.550 1.974 ( 14.984 31.838 28.153) 45.064 2.269 ( 5.944 15.176 -19.476) 25.396 3.001 ( -4.488 2.297 -5.225) 7.261 3.213 ( 3.280 2.215 -0.760) 4.030 3.299 ( 1.982 11.080 8.295) 13.982 3.531 ( -3.552 7.128 4.043) 8.932 3.584 ( -3.797 7.490 0.887) 8.444 3.653 ( -2.181 10.041 -0.144) 10.276 3.704 ( -1.919 10.474 -3.312) 11.152 3.820 ( 1.045 8.622 -4.133) 9.618 3.949 ( -4.890 9.017 -6.083) 11.926 4.034 ( -1.585 12.564 -2.511) 12.910 4.213 ( 5.847 5.148 -0.944) 7.847 4.319 ( 4.667 4.840 -22.801) 23.772 4.471 ( -0.572 -0.060 -0.374) 0.686 5.333 ( 7.854 -1.852 3.203) 8.682 5.421 ( -5.262 -1.169 0.952) 5.474 5.546 ( 8.516 -1.673 -2.483) 9.027 5.808 ( 13.597 -7.931 -5.593) 16.705 6.250 ( 0.098 -3.241 16.691) 17.003 6.640 ( -0.175 -1.936 0.199) 1.954 6.708 ( 1.039 5.753 3.975) 7.070 6.785 ( -0.153 4.071 9.655) 10.480 6.896 ( 0.117 6.210 -6.343) 8.878 7.298 ( 1.741 -2.274 -1.837) 3.403 7.437 ( -1.784 12.841 2.023) 13.121 7.603 ( -7.525 15.526 -3.928) 17.694 7.638 ( -1.970 -0.519 6.824) 7.122 8.355 ( 11.094 14.698 -28.979) 34.335 8.580 ( 11.620 -1.048 1.868) 11.816 8.908 ( 7.678 -1.399 -8.443) 11.497 10.944 ( -5.324 -1.969 10.611) 12.034 11.197 ( -13.287 -35.063 35.721) 51.788 11.872 ( 2.697 -11.973 -1.396) 12.352 12.458 ( -0.018 -29.473 -6.284) 30.135 13.027 ( -5.632 -7.747 13.744) 16.752 13.417 ( -0.427 14.454 0.165) 14.462 13.428 ( -0.365 13.551 -0.175) 13.557 13.590 ( -13.164 -1.780 -8.397) 15.715 13.937 ( -16.446 30.408 1.431) 34.601 14.010 ( -28.830 26.457 -0.419) 39.132 15.190 ( 34.522 0.381 9.671) 35.854 16.167 ( 31.673 9.550 -37.435) 49.958 18.653 ( -11.751 -7.480 10.119) 17.217 18.787 ( -9.512 -3.558 0.047) 10.156 ======================= Grid point 146 (48/120) ======================= q-point: ( 0.22 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 15.495 13.194 22.892) 30.630 1.565 ( 21.100 14.952 14.617) 29.705 2.170 ( 32.278 11.447 0.714) 34.255 2.341 ( 14.786 13.593 -5.766) 20.896 2.498 ( 21.663 16.302 -0.872) 27.126 2.900 ( -4.323 3.207 -5.446) 7.657 3.266 ( -0.116 7.945 3.363) 8.628 3.319 ( -0.987 6.134 -1.539) 6.401 3.451 ( -2.965 7.665 5.848) 10.087 3.489 ( -5.411 10.170 -1.497) 11.617 3.588 ( -3.158 5.995 6.476) 9.373 3.702 ( 0.183 7.053 -7.746) 10.478 3.836 ( -1.125 11.783 3.192) 12.259 3.871 ( 0.036 5.774 -2.705) 6.376 3.996 ( -1.933 10.735 -1.783) 11.053 4.316 ( 2.951 4.560 0.539) 5.458 4.419 ( 1.539 6.539 -12.687) 14.356 4.458 ( 4.538 2.663 -13.135) 14.150 5.251 ( -8.935 -0.795 3.138) 9.503 5.483 ( 4.405 -1.251 -5.739) 7.342 5.758 ( 12.436 -2.634 3.615) 13.216 6.071 ( 10.678 -7.868 -8.981) 16.018 6.281 ( 5.011 -5.845 12.520) 14.698 6.639 ( 0.643 -5.235 1.478) 5.478 6.696 ( -2.687 -1.770 11.250) 11.701 6.808 ( 3.011 10.956 2.301) 11.593 6.908 ( 1.438 10.531 -5.208) 11.836 7.291 ( -3.052 -1.606 -4.604) 5.752 7.374 ( -4.583 12.759 1.901) 13.690 7.507 ( -2.266 18.899 -2.668) 19.221 7.587 ( -4.466 -0.333 12.329) 13.118 8.429 ( -3.027 1.657 -21.112) 21.392 8.838 ( 17.255 -0.682 3.794) 17.680 9.194 ( 18.872 1.072 -15.916) 24.711 10.785 ( -11.611 -5.703 12.131) 17.734 10.904 ( -15.590 -11.161 18.558) 26.684 11.959 ( 6.041 -16.220 3.370) 17.633 12.450 ( -1.045 -26.379 -5.538) 26.974 12.892 ( -7.541 -8.222 9.055) 14.369 13.265 ( -17.636 -3.985 -4.788) 18.704 13.416 ( -0.545 14.303 -0.070) 14.314 13.420 ( -0.680 14.416 -0.090) 14.432 13.590 ( -10.992 37.626 2.555) 39.281 13.763 ( -8.159 28.278 -3.527) 29.642 15.882 ( 36.596 -3.334 9.956) 38.073 16.688 ( 23.737 -3.812 -22.775) 33.116 18.412 ( -13.160 -3.442 6.622) 15.129 18.536 ( -16.244 -2.777 -0.264) 16.482 ======================= Grid point 147 (49/120) ======================= q-point: ( 0.33 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 16.441 9.955 16.678) 25.448 1.968 ( 21.311 15.687 10.650) 28.525 2.537 ( 5.702 7.710 -11.306) 14.825 2.654 ( -2.585 6.427 -12.390) 14.195 2.715 ( 20.406 7.906 5.342) 22.526 3.052 ( 7.349 8.600 7.899) 13.797 3.130 ( -4.455 13.632 4.725) 15.100 3.283 ( -6.809 7.689 -4.808) 11.340 3.424 ( 4.728 4.559 -0.675) 6.603 3.466 ( 1.834 8.251 0.137) 8.453 3.582 ( 3.875 2.504 7.628) 8.914 3.709 ( 0.770 6.823 -3.953) 7.923 3.799 ( 0.009 9.181 0.704) 9.208 3.900 ( -1.018 8.636 -1.037) 8.758 4.015 ( 5.106 9.742 1.670) 11.125 4.300 ( -3.649 4.423 -1.489) 5.925 4.404 ( -0.960 3.678 0.730) 3.870 4.594 ( 4.463 5.637 -17.265) 18.702 5.091 ( -5.553 0.976 -1.560) 5.850 5.502 ( -3.354 -0.738 -14.783) 15.177 5.983 ( 9.826 -2.408 11.519) 15.331 6.186 ( 5.289 -2.860 0.014) 6.013 6.434 ( 6.070 -7.512 7.264) 12.084 6.643 ( -0.672 -4.839 9.635) 10.802 6.692 ( 4.696 -6.111 0.400) 7.717 6.883 ( 4.483 10.317 0.307) 11.253 6.953 ( 2.943 10.469 -3.529) 11.433 7.187 ( -6.874 -1.038 -5.175) 8.667 7.283 ( -4.955 14.666 3.613) 15.897 7.421 ( -8.685 10.962 7.239) 15.747 7.554 ( 4.118 8.215 1.109) 9.256 8.277 ( -11.739 -0.604 -16.510) 20.267 9.253 ( 24.497 -1.127 3.143) 24.723 9.544 ( 17.265 0.551 -11.346) 20.667 10.514 ( -15.630 -4.928 10.195) 19.301 10.613 ( -15.798 -3.034 5.166) 16.896 12.089 ( 7.264 -15.339 4.368) 17.525 12.413 ( -2.903 -18.855 -2.182) 19.201 12.768 ( -4.877 -11.698 3.395) 13.120 12.967 ( -12.672 -6.568 -2.621) 14.511 13.408 ( -0.474 17.581 0.090) 17.588 13.410 ( -0.414 17.647 0.118) 17.652 13.475 ( -2.622 29.489 1.938) 29.669 13.621 ( -6.592 26.625 -3.071) 27.600 16.564 ( 34.301 -3.904 7.801) 35.393 17.111 ( 21.016 -5.234 -12.736) 25.125 18.138 ( -16.680 -2.423 2.449) 17.033 18.185 ( -19.210 -2.549 0.293) 19.380 ======================= Grid point 148 (50/120) ======================= q-point: ( 0.44 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 16.955 6.835 6.505) 19.404 2.341 ( 1.111 7.563 3.592) 8.446 2.403 ( 4.772 11.791 0.807) 12.746 2.729 ( -12.146 16.127 2.007) 20.288 2.827 ( 7.626 6.212 -5.415) 11.228 2.994 ( -2.667 6.655 -1.012) 7.241 3.135 ( -1.648 10.384 -3.844) 11.194 3.183 ( -2.578 5.242 2.217) 6.248 3.513 ( 4.089 5.201 5.040) 8.317 3.560 ( 1.346 3.661 1.492) 4.176 3.702 ( 6.122 2.844 1.294) 6.873 3.736 ( 2.283 5.779 5.181) 8.090 3.855 ( 2.097 9.089 -1.369) 9.428 3.897 ( 2.242 11.174 1.618) 11.511 4.109 ( 4.890 6.264 -2.776) 8.417 4.227 ( -4.318 6.345 -3.418) 8.402 4.396 ( 2.507 4.031 2.409) 5.323 4.535 ( -8.990 4.416 -0.958) 10.062 5.135 ( 9.343 2.413 -15.936) 18.630 5.352 ( -11.254 0.573 -19.633) 22.637 6.138 ( 7.352 -1.649 15.368) 17.116 6.250 ( -2.401 -2.523 7.435) 8.210 6.515 ( 6.735 -3.672 8.643) 11.556 6.636 ( -3.203 -6.579 1.701) 7.512 6.820 ( 8.215 -4.206 2.140) 9.474 6.962 ( -3.424 1.363 -0.422) 3.710 6.977 ( 4.036 7.207 -0.116) 8.261 7.072 ( -4.607 3.878 -3.143) 6.793 7.200 ( -1.562 15.866 6.184) 17.100 7.261 ( -6.551 13.177 5.635) 15.757 7.723 ( 13.021 6.257 -7.604) 16.325 8.009 ( -15.503 1.302 -12.879) 20.197 9.713 ( 21.576 -1.886 2.099) 21.760 9.841 ( 11.820 -0.230 -2.915) 12.176 10.223 ( -12.862 -2.515 1.942) 13.248 10.292 ( -16.385 -2.327 0.282) 16.552 12.225 ( 6.687 -12.242 4.353) 14.613 12.338 ( -4.951 -11.790 2.602) 13.049 12.722 ( 0.301 -14.965 -1.013) 15.002 12.785 ( -6.365 -11.845 -1.900) 13.580 13.400 ( -0.201 20.240 0.338) 20.244 13.402 ( -0.346 21.193 0.474) 21.201 13.465 ( 1.265 23.823 0.129) 23.857 13.517 ( -4.143 24.552 -1.487) 24.943 17.184 ( 30.237 -3.264 4.968) 30.816 17.498 ( 19.243 -4.260 -6.437) 20.733 17.719 ( -25.301 -2.480 2.567) 25.552 17.852 ( -17.377 -3.149 -2.010) 17.774 ======================= Grid point 153 (51/120) ======================= q-point: ( 0.00 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 0.000 25.442 4.789) 25.889 1.422 ( 0.000 18.218 -0.106) 18.218 1.628 ( 0.000 22.528 13.875) 26.458 2.527 ( 0.000 15.111 -19.361) 24.560 2.755 ( 0.000 48.241 21.235) 52.708 3.106 ( 0.000 4.300 0.344) 4.314 3.251 ( 0.000 4.621 -1.926) 5.006 3.547 ( 0.000 12.901 8.039) 15.201 3.593 ( 0.000 1.686 4.165) 4.493 3.838 ( 0.000 6.949 -8.008) 10.603 3.951 ( 0.000 20.394 -1.869) 20.479 4.029 ( 0.000 12.487 -0.577) 12.500 4.049 ( 0.000 5.690 1.403) 5.860 4.226 ( 0.000 15.427 5.650) 16.429 4.386 ( 0.000 9.764 -4.458) 10.734 4.389 ( 0.000 20.544 -0.025) 20.544 4.393 ( 0.000 19.257 -14.774) 24.271 4.571 ( 0.000 13.953 -13.393) 19.340 5.203 ( 0.000 1.066 6.027) 6.121 5.434 ( 0.000 0.733 2.934) 3.025 5.525 ( 0.000 -4.687 -4.505) 6.501 5.596 ( 0.000 3.710 -1.822) 4.133 6.170 ( 0.000 -4.378 14.631) 15.272 6.565 ( 0.000 -5.720 -4.284) 7.147 6.719 ( 0.000 -1.051 10.777) 10.828 7.046 ( 0.000 18.686 1.199) 18.724 7.105 ( 0.000 7.181 -0.403) 7.193 7.234 ( 0.000 3.043 -7.666) 8.248 7.600 ( 0.000 -0.718 3.780) 3.848 7.669 ( 0.000 4.218 1.107) 4.361 7.951 ( 0.000 18.916 5.695) 19.755 8.422 ( 0.000 -2.239 4.743) 5.245 8.757 ( 0.000 -6.113 -5.450) 8.189 8.769 ( 0.000 26.539 -31.596) 41.263 10.675 ( 0.000 -17.759 37.597) 41.581 10.956 ( 0.000 -4.241 7.960) 9.020 11.784 ( 0.000 -2.533 -13.242) 13.482 11.898 ( 0.000 -23.659 -8.024) 24.983 12.868 ( 0.000 -13.670 16.056) 21.087 13.554 ( 0.000 -10.053 -10.193) 14.317 13.779 ( 0.000 20.404 0.431) 20.408 13.845 ( 0.000 18.534 -4.045) 18.970 14.431 ( 0.000 5.646 -0.798) 5.702 14.441 ( 0.000 -2.095 -0.406) 2.134 14.950 ( 0.000 15.809 20.463) 25.858 16.253 ( 0.000 15.695 -35.039) 38.393 18.580 ( 0.000 -8.526 10.090) 13.209 18.773 ( 0.000 -6.571 -0.765) 6.615 ======================= Grid point 154 (52/120) ======================= q-point: ( 0.11 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 18.461 20.119 6.754) 28.128 1.594 ( 11.548 21.589 10.498) 26.640 1.793 ( 20.368 13.445 3.367) 24.637 2.569 ( 4.258 15.747 -17.675) 24.052 2.833 ( 8.308 44.037 14.530) 47.110 3.076 ( -3.565 5.304 -0.477) 6.409 3.273 ( 2.531 4.349 -0.892) 5.111 3.547 ( -3.157 2.171 6.979) 7.961 3.561 ( 0.470 11.398 7.078) 13.425 3.819 ( -1.940 7.321 -8.103) 11.091 3.946 ( -2.005 17.646 -1.565) 17.828 3.987 ( -4.466 15.625 -0.831) 16.272 4.027 ( -0.487 6.960 1.440) 7.124 4.176 ( -3.148 18.080 4.023) 18.788 4.313 ( -3.867 13.864 -2.417) 14.595 4.460 ( 4.051 17.425 -2.750) 18.100 4.475 ( 4.568 11.180 -7.321) 14.123 4.592 ( 2.750 16.019 -16.234) 22.972 5.305 ( 7.646 -0.300 3.552) 8.436 5.389 ( -5.609 -1.947 1.210) 6.060 5.528 ( 6.392 0.060 -1.780) 6.636 5.716 ( 8.837 -1.127 -3.189) 9.463 6.182 ( 1.165 -3.351 13.223) 13.691 6.549 ( -1.446 -5.588 -3.403) 6.701 6.710 ( -1.284 -1.206 11.150) 11.288 7.064 ( 1.708 18.318 1.102) 18.430 7.131 ( 1.971 8.721 -1.306) 9.036 7.241 ( 0.212 0.048 -7.763) 7.767 7.585 ( -0.671 2.022 5.222) 5.639 7.723 ( 4.345 5.720 1.301) 7.300 7.873 ( -6.227 17.580 6.448) 19.734 8.550 ( 10.870 0.095 4.552) 11.785 8.625 ( -6.494 4.391 -16.417) 18.193 8.962 ( 13.176 10.908 -20.913) 27.017 10.655 ( -2.372 -15.721 32.809) 36.459 10.912 ( -4.699 -5.028 7.754) 10.368 11.755 ( -1.921 -4.160 -10.686) 11.627 11.926 ( 2.455 -21.580 -7.477) 22.970 12.811 ( -5.536 -13.396 14.263) 20.335 13.422 ( -13.170 -11.736 -9.626) 20.096 13.782 ( 0.365 20.637 0.302) 20.642 13.806 ( -1.766 21.303 -0.832) 21.393 14.348 ( -7.265 8.706 0.602) 11.355 14.402 ( -4.207 16.621 -1.548) 17.215 15.226 ( 25.410 4.566 16.406) 30.589 16.350 ( 9.926 7.673 -29.232) 31.811 18.506 ( -7.129 -6.819 8.738) 13.178 18.690 ( -8.507 -5.959 -0.850) 10.421 ======================= Grid point 155 (53/120) ======================= q-point: ( 0.22 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 12.580 19.440 16.056) 28.177 1.856 ( 19.238 14.982 9.739) 26.257 2.302 ( 27.690 5.137 -3.932) 28.436 2.679 ( 6.336 14.031 -16.367) 22.470 2.983 ( -4.154 11.288 0.236) 12.031 3.068 ( 14.334 28.806 5.226) 32.597 3.328 ( 2.338 4.164 -2.056) 5.200 3.485 ( -1.852 2.459 9.459) 9.948 3.578 ( 0.035 10.894 6.177) 12.524 3.770 ( -2.609 9.570 -7.803) 12.620 3.848 ( -7.427 13.124 -1.202) 15.127 3.883 ( -4.918 17.939 -0.268) 18.603 4.037 ( -0.118 10.693 3.107) 11.136 4.154 ( 0.518 16.786 1.256) 16.841 4.242 ( -2.308 14.599 -0.890) 14.807 4.488 ( -0.648 11.693 1.702) 11.834 4.532 ( 1.257 9.881 -2.523) 10.275 4.704 ( 7.608 18.634 -20.049) 28.409 5.233 ( -7.230 -0.768 2.978) 7.857 5.469 ( 5.382 0.442 -4.899) 7.292 5.709 ( 11.520 -1.694 2.212) 11.852 5.925 ( 12.356 -4.938 -5.550) 14.417 6.212 ( 2.377 -1.663 11.618) 11.975 6.534 ( 0.698 -4.913 -1.700) 5.246 6.661 ( -3.758 -1.340 11.953) 12.601 7.102 ( 1.967 16.604 0.600) 16.731 7.154 ( -0.196 7.344 -1.143) 7.435 7.216 ( -3.031 -2.320 -8.734) 9.531 7.585 ( 0.429 5.980 8.466) 10.374 7.736 ( -5.199 18.480 9.626) 21.475 7.820 ( 2.710 11.352 -3.118) 12.081 8.473 ( -8.615 2.502 -14.890) 17.384 8.832 ( 17.843 0.544 4.014) 18.297 9.255 ( 16.564 5.591 -18.590) 25.519 10.572 ( -6.619 -10.570 21.192) 24.589 10.771 ( -10.143 -6.002 6.081) 13.262 11.749 ( 1.980 -6.781 -4.425) 8.336 11.984 ( 3.573 -18.961 -5.603) 20.092 12.676 ( -8.032 -12.923 10.285) 18.366 13.118 ( -16.935 -9.727 -6.552) 20.599 13.794 ( 0.980 21.394 0.160) 21.417 13.801 ( 0.875 22.047 -0.003) 22.064 14.196 ( -7.808 22.213 1.574) 23.598 14.293 ( -6.867 23.417 -1.901) 24.477 15.809 ( 33.695 -3.082 11.645) 35.783 16.617 ( 17.374 -2.610 -19.203) 26.028 18.327 ( -11.307 -4.693 5.505) 13.423 18.459 ( -15.307 -4.768 -0.686) 16.047 ======================= Grid point 156 (54/120) ======================= q-point: ( 0.33 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 12.328 16.469 13.080) 24.378 2.238 ( 20.004 10.558 10.088) 24.767 2.683 ( -3.114 7.218 -7.099) 10.592 2.740 ( 12.309 3.177 -10.246) 16.327 3.012 ( 6.966 15.452 0.021) 16.949 3.279 ( 5.231 10.451 6.531) 13.388 3.363 ( 1.121 2.434 -6.190) 6.745 3.466 ( -4.792 16.037 2.345) 16.902 3.549 ( 1.424 8.414 5.494) 10.149 3.709 ( -4.802 12.635 -1.198) 13.570 3.754 ( 0.324 14.951 0.413) 14.960 3.843 ( 0.720 9.623 -3.896) 10.406 4.041 ( 2.585 13.447 1.964) 13.834 4.122 ( -2.343 11.911 -1.584) 12.242 4.271 ( 2.322 14.957 4.499) 15.790 4.471 ( -0.164 13.385 1.789) 13.505 4.527 ( -1.448 8.781 -2.846) 9.343 4.807 ( 1.002 15.541 -8.753) 17.864 5.140 ( -0.526 4.707 -4.219) 6.343 5.503 ( -2.161 1.562 -12.467) 12.749 5.933 ( 10.862 -2.119 7.218) 13.213 6.122 ( 7.590 -3.040 -2.143) 8.453 6.315 ( 8.208 -3.013 9.401) 12.838 6.580 ( -2.497 -2.007 6.934) 7.639 6.597 ( 4.651 -3.532 2.995) 6.563 7.084 ( -6.457 -2.236 -1.509) 6.998 7.131 ( 0.065 11.544 -0.202) 11.546 7.154 ( -3.067 1.421 -5.155) 6.165 7.580 ( -1.163 12.670 10.553) 16.530 7.650 ( -3.074 20.339 5.137) 21.202 7.869 ( 2.717 16.554 -4.183) 17.290 8.291 ( -10.287 3.121 -13.441) 17.211 9.228 ( 22.738 -1.098 3.612) 23.049 9.570 ( 15.923 2.199 -12.385) 20.292 10.399 ( -11.305 -5.833 9.373) 15.801 10.528 ( -14.851 -5.612 3.211) 16.197 11.835 ( 6.694 -9.920 1.317) 12.040 12.059 ( 3.928 -15.320 -2.560) 16.022 12.523 ( -7.401 -13.022 5.709) 16.029 12.809 ( -14.858 -8.925 -4.252) 17.847 13.821 ( 1.823 22.733 0.260) 22.807 13.831 ( 2.232 23.149 -0.014) 23.257 14.065 ( -5.816 26.699 1.524) 27.367 14.154 ( -7.249 25.332 -1.612) 26.398 16.469 ( 34.347 -5.045 7.847) 35.592 16.989 ( 20.835 -6.179 -11.330) 24.509 18.073 ( -16.005 -3.899 2.114) 16.608 18.116 ( -19.700 -4.192 0.117) 20.142 ======================= Grid point 157 (55/120) ======================= q-point: ( 0.44 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 12.910 12.019 5.266) 18.408 2.485 ( -9.605 8.674 -0.219) 12.944 2.627 ( 15.863 6.568 6.636) 18.407 2.871 ( -4.485 1.963 5.195) 7.138 3.120 ( 7.051 17.108 -3.839) 18.898 3.292 ( -8.700 19.195 -1.936) 21.163 3.330 ( -0.249 8.120 -3.585) 8.880 3.348 ( -2.156 8.090 -6.143) 10.384 3.620 ( 4.507 6.130 6.058) 9.725 3.684 ( -0.727 6.591 1.299) 6.757 3.777 ( 2.338 7.585 1.367) 8.054 3.834 ( -2.391 5.083 -1.235) 5.752 4.124 ( 3.383 14.151 1.117) 14.593 4.169 ( 5.026 15.886 0.046) 16.663 4.268 ( 1.442 9.129 -0.760) 9.274 4.410 ( -7.323 10.631 -5.304) 13.956 4.578 ( 6.935 15.486 4.649) 17.593 4.727 ( -7.503 15.252 3.820) 17.422 5.229 ( 8.059 7.447 -14.127) 17.888 5.395 ( -8.232 4.403 -15.882) 18.422 6.107 ( 7.530 -1.102 11.118) 13.473 6.205 ( -1.077 -1.492 5.333) 5.642 6.453 ( 6.829 -1.993 8.206) 10.861 6.550 ( -1.740 -2.095 3.785) 4.663 6.740 ( 9.087 -3.731 0.446) 9.833 6.926 ( -9.650 -3.447 0.532) 10.261 7.098 ( -0.696 -1.910 -2.655) 3.344 7.121 ( -1.803 4.475 -1.252) 4.985 7.569 ( 0.686 20.190 6.512) 21.225 7.602 ( -2.316 20.475 4.363) 21.062 7.947 ( 5.819 15.059 -6.507) 17.406 8.096 ( -9.477 8.473 -10.379) 16.411 9.662 ( 21.159 -3.100 2.718) 21.557 9.839 ( 9.370 -0.011 -3.634) 10.050 10.155 ( -11.730 -4.259 0.438) 12.487 10.234 ( -14.398 -3.117 -0.205) 14.733 11.983 ( 7.929 -11.282 4.015) 14.362 12.093 ( -2.030 -11.850 2.686) 12.319 12.442 ( 0.884 -13.028 -0.386) 13.064 12.563 ( -10.442 -10.498 -3.086) 15.125 13.862 ( 2.225 24.432 0.553) 24.540 13.877 ( 1.666 24.603 0.176) 24.660 13.984 ( -1.749 26.191 0.491) 26.254 14.029 ( -5.374 25.549 -0.961) 26.126 17.100 ( 31.139 -4.740 4.653) 31.840 17.391 ( 20.418 -5.949 -5.884) 22.066 17.653 ( -25.843 -3.933 2.315) 26.242 17.769 ( -18.327 -4.799 -1.763) 19.027 ======================= Grid point 162 (56/120) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 0.000 24.980 0.576) 24.987 1.774 ( 0.000 17.446 -1.070) 17.479 2.104 ( 0.000 23.615 11.833) 26.414 2.793 ( 0.000 11.716 -16.310) 20.082 3.206 ( 0.000 5.388 2.706) 6.029 3.351 ( 0.000 5.972 -3.089) 6.724 3.593 ( 0.000 15.678 7.410) 17.341 3.715 ( 0.000 25.565 5.622) 26.176 3.716 ( 0.000 3.611 5.088) 6.239 3.994 ( 0.000 8.990 -4.104) 9.883 4.067 ( 0.000 1.134 2.520) 2.763 4.166 ( 0.000 1.104 -0.647) 1.280 4.390 ( 0.000 23.387 1.554) 23.439 4.612 ( 0.000 14.874 -4.498) 15.539 4.620 ( 0.000 19.183 -2.739) 19.378 4.841 ( 0.000 21.564 0.931) 21.584 4.867 ( 0.000 26.408 3.902) 26.695 4.974 ( 0.000 22.615 -14.776) 27.014 5.277 ( 0.000 7.926 -0.014) 7.926 5.416 ( 0.000 -3.435 0.440) 3.463 5.512 ( 0.000 4.939 0.049) 4.940 5.687 ( 0.000 4.891 -3.377) 5.944 6.090 ( 0.000 -3.016 11.132) 11.533 6.435 ( 0.000 -7.180 -5.657) 9.141 6.713 ( 0.000 0.833 8.647) 8.687 7.043 ( 0.000 -6.940 1.303) 7.062 7.314 ( 0.000 -2.531 -1.570) 2.979 7.423 ( 0.000 16.497 -1.077) 16.532 7.715 ( 0.000 2.540 -0.298) 2.557 7.764 ( 0.000 17.073 -1.133) 17.110 8.376 ( 0.000 -1.939 4.347) 4.760 8.406 ( 0.000 23.529 8.365) 24.971 8.636 ( 0.000 -4.339 -2.436) 4.977 9.231 ( 0.000 19.835 -24.133) 31.238 10.470 ( 0.000 -5.142 20.282) 20.924 10.770 ( 0.000 -15.052 3.042) 15.356 11.571 ( 0.000 -8.332 -2.432) 8.680 11.734 ( 0.000 -2.373 -11.450) 11.693 12.561 ( 0.000 -16.124 15.729) 22.525 13.256 ( 0.000 -17.340 -12.088) 21.137 14.149 ( 0.000 7.214 0.767) 7.254 14.188 ( 0.000 17.379 -0.599) 17.389 14.412 ( 0.000 1.251 2.105) 2.448 14.607 ( 0.000 15.268 -7.654) 17.079 15.282 ( 0.000 15.784 23.234) 28.088 16.445 ( 0.000 5.096 -23.580) 24.124 18.434 ( 0.000 -6.334 7.201) 9.590 18.628 ( 0.000 -7.700 -1.431) 7.832 ======================= Grid point 163 (57/120) ======================= q-point: ( 0.11 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 11.410 21.587 1.896) 24.491 1.951 ( 16.115 14.735 -0.922) 21.855 2.160 ( 6.335 21.607 11.730) 25.388 2.835 ( 4.140 11.613 -15.790) 20.033 3.171 ( -3.121 5.315 2.111) 6.515 3.340 ( -0.913 5.595 -4.265) 7.094 3.593 ( -2.355 4.095 5.457) 7.217 3.709 ( 1.886 31.265 6.722) 32.035 3.714 ( -0.317 3.801 4.214) 5.684 3.951 ( -3.791 5.638 -3.912) 7.840 4.082 ( 1.400 6.227 3.180) 7.131 4.168 ( 0.445 5.006 -0.233) 5.031 4.421 ( 2.138 23.918 1.263) 24.047 4.559 ( -4.759 17.372 -2.474) 18.181 4.623 ( -0.519 18.488 -3.129) 18.758 4.793 ( -3.085 18.565 2.083) 18.934 4.883 ( -0.957 22.648 2.166) 22.771 5.017 ( 4.677 22.945 -15.409) 28.032 5.310 ( -3.258 -1.390 3.760) 5.166 5.387 ( 5.349 5.502 -2.211) 7.986 5.562 ( 5.228 3.989 0.597) 6.603 5.753 ( 5.556 4.282 -4.286) 8.220 6.127 ( 3.514 -1.699 9.844) 10.589 6.431 ( -0.167 -6.027 -4.652) 7.615 6.701 ( -1.450 0.699 8.939) 9.083 7.065 ( 1.430 -7.368 -0.245) 7.510 7.293 ( -2.034 -2.497 0.002) 3.220 7.426 ( 0.011 15.415 -1.068) 15.452 7.787 ( 3.525 14.909 -0.647) 15.334 7.792 ( 6.376 5.677 -1.128) 8.611 8.233 ( -6.697 13.841 7.778) 17.231 8.577 ( 3.981 0.071 -1.981) 4.447 8.636 ( 5.781 6.317 3.473) 9.241 9.278 ( 4.933 16.840 -22.722) 28.709 10.461 ( -1.164 -5.418 18.267) 19.089 10.724 ( -4.820 -14.450 3.015) 15.528 11.591 ( 1.957 -7.853 -2.788) 8.560 11.721 ( -0.985 -2.900 -9.286) 9.778 12.513 ( -4.779 -15.636 14.405) 21.790 13.143 ( -10.696 -15.447 -10.528) 21.537 14.165 ( 1.636 11.460 0.635) 11.594 14.199 ( 1.137 18.749 -0.438) 18.788 14.455 ( 3.722 4.346 2.435) 6.218 14.670 ( 4.054 13.325 -7.555) 15.845 15.394 ( 12.969 11.326 21.063) 27.206 16.464 ( 2.769 3.709 -21.324) 21.821 18.381 ( -5.407 -5.752 6.327) 10.117 18.557 ( -7.343 -7.110 -1.331) 10.308 ======================= Grid point 164 (58/120) ======================= q-point: ( 0.22 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 14.568 15.456 5.427) 21.922 2.211 ( 9.091 18.674 8.584) 22.474 2.424 ( 20.417 7.817 0.545) 21.869 2.915 ( 1.767 10.297 -13.178) 16.817 3.123 ( 0.339 5.771 0.102) 5.782 3.336 ( 0.837 3.191 -5.427) 6.351 3.501 ( -5.713 4.313 6.118) 9.417 3.699 ( -1.657 2.354 2.129) 3.581 3.758 ( 0.561 14.718 3.569) 15.155 3.905 ( 0.277 8.512 -4.515) 9.639 4.104 ( 0.376 10.740 2.993) 11.156 4.207 ( 4.291 16.346 0.190) 16.901 4.376 ( -8.311 21.541 0.887) 23.106 4.463 ( -4.565 16.363 -1.567) 17.060 4.621 ( 0.119 20.567 2.144) 20.678 4.743 ( -0.928 14.245 0.018) 14.275 4.827 ( -3.889 14.838 -0.207) 15.341 5.126 ( 5.439 21.691 -10.221) 24.587 5.251 ( -0.483 4.347 2.999) 5.303 5.531 ( 6.377 6.504 -4.892) 10.339 5.707 ( 9.672 1.966 1.901) 10.052 5.893 ( 9.420 1.713 -4.724) 10.676 6.207 ( 4.617 1.283 8.198) 9.496 6.446 ( 2.363 -3.615 -2.687) 5.086 6.653 ( -3.557 0.779 9.186) 9.881 7.057 ( -2.777 -7.692 -3.590) 8.932 7.235 ( -4.290 -2.815 3.393) 6.151 7.407 ( -2.494 11.271 -1.388) 11.627 7.852 ( 4.096 18.471 0.896) 18.941 7.966 ( 9.630 6.221 -2.443) 11.722 8.135 ( -3.451 18.110 7.289) 19.825 8.527 ( -4.440 3.440 -5.738) 8.030 8.884 ( 15.772 5.504 5.046) 17.451 9.420 ( 9.767 10.177 -18.744) 23.459 10.414 ( -4.204 -5.867 12.229) 14.200 10.588 ( -9.166 -12.471 3.004) 15.765 11.632 ( 1.906 -5.229 -3.283) 6.462 11.729 ( 2.802 -6.354 -3.745) 7.890 12.394 ( -7.185 -14.545 11.269) 19.753 12.894 ( -14.316 -12.189 -7.942) 20.411 14.207 ( 2.664 16.898 0.281) 17.109 14.231 ( 2.161 20.201 -0.132) 20.317 14.514 ( 1.628 10.967 2.484) 11.362 14.687 ( -2.407 16.289 -3.953) 16.934 15.794 ( 27.671 2.278 13.744) 30.980 16.589 ( 11.070 -0.436 -15.916) 19.392 18.231 ( -10.216 -4.809 4.200) 12.048 18.351 ( -14.051 -5.848 -0.878) 15.245 ======================= Grid point 165 (59/120) ======================= q-point: ( 0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 7.653 17.353 8.901) 20.951 2.419 ( 15.501 8.378 7.917) 19.317 2.785 ( 14.605 2.012 -2.787) 15.004 2.841 ( -7.350 7.851 -5.666) 12.156 3.233 ( 8.601 7.243 -5.138) 12.363 3.352 ( -0.377 0.652 2.100) 2.231 3.425 ( -0.525 2.894 -1.012) 3.111 3.639 ( -4.422 1.858 -1.220) 4.949 3.753 ( 0.234 8.052 3.878) 8.940 3.908 ( -1.297 6.845 -4.284) 8.178 4.087 ( -3.008 14.933 1.521) 15.309 4.137 ( -11.536 16.289 0.849) 19.978 4.360 ( 2.101 16.662 -1.827) 16.893 4.387 ( 3.507 17.059 -2.063) 17.537 4.566 ( -4.973 14.114 3.205) 15.304 4.742 ( -3.262 11.731 -6.634) 13.866 4.828 ( 6.729 21.333 6.823) 23.387 5.167 ( -1.079 18.915 5.373) 19.693 5.315 ( 6.103 13.018 -9.075) 17.002 5.591 ( -0.055 7.483 -8.264) 11.149 5.912 ( 10.930 0.253 4.493) 11.820 6.092 ( 9.931 0.513 -2.726) 10.312 6.316 ( 6.980 2.780 7.874) 10.883 6.529 ( 5.744 -2.085 -1.925) 6.407 6.581 ( -2.840 1.204 7.907) 8.487 6.969 ( -5.850 -7.071 -4.588) 10.261 7.119 ( -7.587 -3.698 4.359) 9.500 7.315 ( -7.289 4.304 -2.076) 8.715 7.932 ( 3.906 20.089 2.643) 20.635 8.065 ( -0.885 19.325 5.268) 20.049 8.154 ( 6.379 13.209 -3.372) 15.051 8.437 ( -4.681 11.071 -6.241) 13.544 9.221 ( 19.097 0.726 4.565) 19.648 9.636 ( 12.236 4.315 -12.886) 18.286 10.278 ( -10.543 -7.239 4.233) 13.471 10.389 ( -11.038 -7.569 2.523) 13.619 11.682 ( 3.992 -5.574 0.597) 6.882 11.820 ( 5.636 -8.371 -0.681) 10.114 12.256 ( -6.596 -13.092 6.949) 16.223 12.618 ( -14.212 -9.922 -5.831) 18.288 14.265 ( 3.265 19.887 0.168) 20.154 14.282 ( 3.188 20.865 0.164) 21.108 14.507 ( -2.090 17.310 1.597) 17.509 14.605 ( -5.390 19.262 -1.717) 20.076 16.388 ( 32.877 -2.447 8.015) 33.929 16.884 ( 18.975 -4.136 -10.002) 21.845 17.989 ( -15.478 -4.330 1.661) 16.158 18.024 ( -19.706 -4.898 0.078) 20.306 ======================= Grid point 166 (60/120) ======================= q-point: ( 0.44 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 8.187 12.113 2.837) 14.892 2.674 ( -9.051 8.541 -2.793) 12.754 2.713 ( 14.260 4.548 10.142) 18.080 2.908 ( -3.666 2.621 6.823) 8.177 3.361 ( 6.458 6.169 -4.490) 9.996 3.398 ( 4.403 -1.110 -1.882) 4.915 3.446 ( 0.701 2.448 -5.066) 5.670 3.528 ( -7.358 2.983 -2.594) 8.353 3.789 ( 3.629 10.045 2.414) 10.950 3.862 ( -3.168 11.116 -1.544) 11.661 3.961 ( -4.505 6.240 1.231) 7.795 3.988 ( -5.895 11.285 -0.055) 12.732 4.379 ( 3.407 11.810 0.764) 12.315 4.465 ( -5.099 12.499 2.287) 13.691 4.541 ( 7.533 18.561 -7.477) 21.382 4.662 ( -5.136 14.513 -7.790) 17.253 4.979 ( 7.945 22.909 8.492) 25.692 5.107 ( -5.067 21.383 8.090) 23.417 5.437 ( 6.214 12.715 -9.481) 17.034 5.543 ( -4.482 10.072 -9.334) 14.445 6.100 ( 8.323 0.468 7.220) 11.028 6.200 ( -0.496 1.000 3.999) 4.152 6.451 ( 6.988 1.991 5.671) 9.217 6.547 ( -1.463 1.832 2.112) 3.155 6.676 ( 8.495 -2.294 -0.354) 8.807 6.844 ( -7.877 -4.496 -1.397) 9.177 7.012 ( 0.012 -5.365 0.095) 5.365 7.139 ( -10.119 -2.431 -2.518) 10.708 7.995 ( 2.716 21.661 3.787) 22.157 8.037 ( -1.747 21.927 4.716) 22.496 8.265 ( 4.961 15.754 -5.081) 17.281 8.352 ( -4.328 15.680 -5.846) 17.285 9.593 ( 19.028 -3.569 3.874) 19.744 9.834 ( 2.853 -0.946 -2.755) 4.077 10.052 ( -6.997 -5.632 -2.238) 9.257 10.176 ( -11.229 -2.723 -2.368) 11.795 11.786 ( 6.342 -8.135 4.334) 11.189 11.880 ( -1.477 -9.123 4.100) 10.111 12.203 ( 3.271 -10.574 -0.529) 11.081 12.365 ( -11.794 -9.210 -4.200) 15.542 14.327 ( 2.983 20.966 0.604) 21.186 14.343 ( 2.251 21.000 0.531) 21.127 14.461 ( -1.405 20.544 0.181) 20.593 14.502 ( -4.820 20.815 -0.957) 21.387 17.010 ( 31.295 -3.874 4.342) 31.832 17.276 ( 20.832 -5.199 -5.287) 22.113 17.570 ( -26.009 -4.135 2.080) 26.418 17.670 ( -19.001 -4.869 -1.478) 19.670 ======================= Grid point 171 (61/120) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 0.000 17.627 0.816) 17.646 2.225 ( 0.000 22.656 -2.249) 22.767 2.547 ( 0.000 20.219 8.753) 22.032 3.016 ( 0.000 10.871 -10.997) 15.463 3.317 ( 0.000 5.633 3.773) 6.780 3.468 ( 0.000 5.587 -2.746) 6.225 3.696 ( 0.000 3.465 2.897) 4.516 3.742 ( 0.000 0.009 3.257) 3.257 3.961 ( 0.000 -1.835 2.914) 3.443 4.117 ( 0.000 -3.208 -2.705) 4.197 4.167 ( 0.000 5.556 1.721) 5.816 4.391 ( 0.000 21.939 -7.079) 23.053 4.889 ( 0.000 21.957 7.938) 23.347 4.899 ( 0.000 12.817 -3.046) 13.174 4.953 ( 0.000 16.444 -4.175) 16.966 5.184 ( 0.000 11.295 5.817) 12.705 5.343 ( 0.000 10.674 6.246) 12.367 5.353 ( 0.000 16.274 -5.453) 17.163 5.430 ( 0.000 14.957 -1.912) 15.078 5.599 ( 0.000 20.581 -7.488) 21.901 5.687 ( 0.000 13.415 2.265) 13.605 5.777 ( 0.000 4.367 -1.145) 4.515 6.082 ( 0.000 3.348 4.872) 5.912 6.285 ( 0.000 -7.429 -5.226) 9.084 6.761 ( 0.000 4.058 4.259) 5.883 6.892 ( 0.000 -7.398 2.178) 7.712 7.204 ( 0.000 -7.060 4.233) 8.232 7.586 ( 0.000 0.074 -8.116) 8.116 7.830 ( 0.000 6.669 4.328) 7.950 8.093 ( 0.000 10.906 -6.788) 12.846 8.388 ( 0.000 5.930 5.583) 8.144 8.559 ( 0.000 2.373 -1.928) 3.058 8.935 ( 0.000 24.564 9.721) 26.418 9.560 ( 0.000 12.511 -14.303) 19.003 10.395 ( 0.000 -20.640 2.354) 20.774 10.408 ( 0.000 -1.875 3.758) 4.199 11.515 ( 0.000 0.895 0.922) 1.285 11.689 ( 0.000 -2.162 -8.213) 8.492 12.256 ( 0.000 -13.465 15.053) 20.196 12.902 ( 0.000 -17.380 -10.912) 20.522 14.184 ( 0.000 -1.146 1.240) 1.689 14.282 ( 0.000 -2.371 -2.581) 3.505 14.654 ( 0.000 16.754 5.264) 17.561 14.954 ( 0.000 15.898 -7.640) 17.638 15.575 ( 0.000 13.760 18.983) 23.445 16.495 ( 0.000 0.381 -16.693) 16.697 18.320 ( 0.000 -5.097 4.741) 6.961 18.472 ( 0.000 -7.673 -1.386) 7.797 ======================= Grid point 172 (62/120) ======================= q-point: ( 0.11 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 10.720 14.358 0.244) 17.920 2.291 ( 6.203 20.346 -1.547) 21.327 2.580 ( 3.478 19.572 9.238) 21.920 3.055 ( 3.786 10.635 -10.489) 15.409 3.275 ( -3.867 5.109 3.049) 7.096 3.443 ( -2.429 4.839 -3.470) 6.431 3.667 ( -3.125 3.563 3.688) 6.006 3.737 ( -0.448 0.114 2.861) 2.898 3.914 ( -4.007 -0.997 1.795) 4.502 4.056 ( -4.459 -1.407 -3.698) 5.962 4.199 ( 2.936 5.344 3.738) 7.152 4.471 ( 6.826 19.734 -7.016) 22.028 4.869 ( -2.901 14.074 -1.976) 14.505 4.941 ( 0.336 25.878 6.113) 26.592 4.950 ( 2.150 12.756 -3.899) 13.510 5.105 ( -6.688 11.150 3.401) 13.439 5.224 ( -14.038 4.373 1.257) 14.757 5.374 ( 3.134 15.753 0.614) 16.073 5.404 ( 3.883 15.137 1.057) 15.662 5.663 ( 4.261 19.089 -7.900) 21.094 5.720 ( 3.820 12.733 2.531) 13.533 5.871 ( 6.312 7.563 -2.646) 10.200 6.132 ( 5.383 2.677 4.763) 7.670 6.321 ( 3.478 -4.185 -4.299) 6.935 6.746 ( -1.663 3.760 4.632) 6.194 6.910 ( 1.100 -7.425 0.667) 7.536 7.189 ( -1.519 -6.667 5.270) 8.633 7.582 ( -1.603 -0.196 -7.275) 7.452 7.888 ( 6.749 5.452 3.106) 9.215 8.118 ( 2.672 11.247 -6.257) 13.145 8.405 ( 1.738 8.656 6.054) 10.705 8.586 ( 2.700 4.362 -1.825) 5.445 8.972 ( 3.934 21.839 8.725) 23.844 9.571 ( 1.280 11.465 -14.057) 18.185 10.350 ( -4.048 -16.124 2.641) 16.833 10.404 ( -1.100 -6.096 2.824) 6.808 11.531 ( 1.610 0.453 0.672) 1.802 11.677 ( -1.033 -1.722 -7.042) 7.323 12.218 ( -3.804 -12.979 14.271) 19.662 12.826 ( -7.382 -15.679 -10.017) 20.017 14.261 ( 7.309 0.453 1.186) 7.419 14.368 ( 7.902 -0.523 -3.186) 8.536 14.671 ( 1.752 15.693 5.617) 16.760 14.968 ( 1.065 14.155 -6.925) 15.794 15.641 ( 7.722 12.835 17.409) 22.966 16.504 ( 1.498 0.441 -15.613) 15.691 18.274 ( -4.731 -4.876 4.250) 8.014 18.411 ( -6.311 -7.211 -1.237) 9.662 ======================= Grid point 173 (63/120) ======================= q-point: ( 0.22 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 7.557 13.426 1.372) 15.467 2.491 ( 13.081 10.194 -0.982) 16.613 2.676 ( 6.577 16.389 8.734) 19.702 3.097 ( -3.020 7.482 -4.217) 9.104 3.235 ( 3.125 6.093 -3.354) 7.625 3.391 ( -2.418 2.400 -4.782) 5.871 3.580 ( -5.688 3.715 4.875) 8.362 3.720 ( -1.689 0.432 1.563) 2.341 3.842 ( -2.506 0.307 1.524) 2.949 3.992 ( -1.994 -0.611 -3.601) 4.161 4.267 ( 3.868 5.845 5.156) 8.701 4.603 ( 4.388 16.432 -8.644) 19.078 4.735 ( -9.655 14.479 0.461) 17.409 4.797 ( -13.466 11.257 0.284) 17.554 4.953 ( -5.630 10.475 -0.128) 11.892 5.017 ( -1.101 13.868 -7.185) 15.658 5.124 ( 6.035 19.292 9.823) 22.474 5.460 ( 5.139 14.431 3.534) 15.721 5.491 ( 4.940 13.310 -0.213) 14.199 5.735 ( 3.346 12.462 -3.588) 13.393 5.833 ( 6.973 12.004 0.921) 13.913 5.988 ( 7.015 7.576 -3.372) 10.862 6.266 ( 7.706 4.208 3.485) 9.446 6.410 ( 5.730 1.216 -2.981) 6.572 6.696 ( -3.390 3.426 4.856) 6.841 6.903 ( -2.182 -7.006 -2.079) 7.626 7.142 ( -3.643 -5.412 6.588) 9.272 7.495 ( -7.481 -2.214 -5.078) 9.309 8.085 ( 12.743 5.188 0.221) 13.760 8.196 ( 5.386 12.937 -4.369) 14.678 8.446 ( 2.234 13.950 6.430) 15.522 8.648 ( 3.303 9.204 -1.875) 9.957 9.087 ( 8.090 14.709 6.916) 18.155 9.618 ( 3.887 8.241 -12.930) 15.817 10.241 ( -7.374 -15.389 2.508) 17.248 10.361 ( -3.452 -5.448 0.854) 6.506 11.571 ( 2.239 -0.771 0.028) 2.368 11.666 ( 0.632 -1.139 -3.498) 3.732 12.123 ( -5.655 -11.760 11.951) 17.694 12.644 ( -11.000 -12.439 -8.276) 18.553 14.423 ( 8.576 5.244 0.880) 10.090 14.525 ( 7.293 6.575 -3.459) 10.410 14.721 ( 3.318 12.166 5.651) 13.818 14.971 ( -1.164 12.143 -4.300) 12.935 15.904 ( 20.034 8.049 12.448) 24.922 16.584 ( 7.814 -0.422 -12.585) 14.819 18.137 ( -9.654 -4.473 2.952) 11.041 18.230 ( -12.725 -6.118 -0.737) 14.138 ======================= Grid point 174 (64/120) ======================= q-point: ( 0.33 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 6.131 6.353 3.691) 9.569 2.690 ( 8.069 12.355 3.345) 15.131 2.841 ( 8.511 5.735 0.693) 10.286 2.986 ( -4.926 6.012 1.559) 7.927 3.336 ( 2.869 3.900 -4.506) 6.614 3.360 ( 0.062 -0.295 -4.089) 4.100 3.478 ( -3.336 3.060 3.381) 5.650 3.666 ( -3.729 1.310 -1.284) 4.156 3.843 ( 2.558 2.572 2.241) 4.264 3.975 ( 0.177 1.001 -2.355) 2.565 4.291 ( -5.417 5.963 3.009) 8.599 4.426 ( -12.880 11.491 -0.312) 17.263 4.560 ( -6.834 6.186 2.134) 9.462 4.774 ( 5.499 15.224 -8.609) 18.334 4.844 ( -5.024 13.559 -1.639) 14.552 5.006 ( -1.054 14.907 -9.634) 17.781 5.283 ( 9.245 22.201 10.396) 26.200 5.540 ( 2.383 17.710 8.656) 19.856 5.589 ( 5.427 11.908 -3.389) 13.518 5.779 ( 0.746 9.943 -3.021) 10.418 5.969 ( 7.713 6.490 3.658) 10.724 6.152 ( 8.926 5.519 -2.398) 10.765 6.409 ( 6.827 5.289 2.645) 9.032 6.535 ( 7.099 4.072 -2.228) 8.482 6.632 ( -2.356 3.537 3.357) 5.416 6.831 ( -4.888 -5.966 -3.400) 8.429 7.044 ( -6.466 -2.836 5.446) 8.917 7.304 ( -12.075 -4.404 -3.572) 13.340 8.304 ( 6.466 14.135 -0.884) 15.569 8.334 ( 10.936 10.110 -1.860) 15.009 8.482 ( 1.566 17.311 5.073) 18.107 8.691 ( 0.638 13.481 -2.475) 13.721 9.280 ( 11.925 5.846 5.885) 14.526 9.724 ( 6.778 3.439 -9.795) 12.398 10.071 ( -9.959 -12.601 1.844) 16.167 10.268 ( -6.361 -4.455 -2.465) 8.147 11.607 ( 1.997 -2.016 1.373) 3.153 11.716 ( 3.638 -2.480 0.687) 4.456 12.021 ( -4.082 -9.741 7.237) 12.803 12.421 ( -11.989 -9.494 -6.545) 16.635 14.568 ( 6.515 10.247 0.519) 12.154 14.635 ( 4.442 13.021 -1.578) 13.848 14.775 ( 1.671 10.493 3.215) 11.101 14.923 ( -3.658 12.476 -2.045) 13.161 16.383 ( 28.735 1.892 7.338) 29.718 16.820 ( 16.544 -2.547 -8.383) 18.720 17.903 ( -15.092 -4.212 1.158) 15.711 17.924 ( -19.006 -4.961 0.184) 19.644 ======================= Grid point 175 (65/120) ======================= q-point: ( 0.44 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 5.113 2.926 2.121) 6.261 2.760 ( -4.480 1.768 -1.162) 4.955 2.904 ( 7.306 12.455 7.270) 16.166 3.019 ( -0.506 8.038 5.320) 9.653 3.308 ( 1.017 -4.904 0.638) 5.049 3.369 ( -2.402 -5.599 -3.042) 6.810 3.505 ( 4.171 4.643 -3.594) 7.203 3.587 ( -4.322 3.321 -3.404) 6.426 3.932 ( 6.444 4.800 1.253) 8.132 4.014 ( 4.539 3.543 -1.485) 5.946 4.094 ( -10.167 6.924 1.280) 12.368 4.183 ( -11.858 7.457 -1.240) 14.062 4.591 ( 5.901 9.484 2.689) 11.489 4.716 ( -6.539 11.669 0.637) 13.392 4.891 ( 4.777 15.013 -10.561) 18.967 4.967 ( -3.038 14.987 -10.354) 18.467 5.446 ( 7.171 22.171 9.375) 25.117 5.540 ( -2.444 20.680 8.638) 22.545 5.689 ( 4.655 11.077 -2.102) 12.197 5.760 ( -2.574 10.273 -2.136) 10.804 6.128 ( 8.260 2.676 5.432) 10.242 6.241 ( -1.653 3.018 3.647) 5.014 6.521 ( 6.072 3.722 -0.674) 7.154 6.623 ( -1.840 5.235 -1.367) 5.715 6.677 ( 7.107 3.454 -0.975) 7.961 6.759 ( -1.078 -3.294 -2.980) 4.571 6.930 ( -2.735 -1.492 2.561) 4.033 7.057 ( -12.625 -4.860 -1.930) 13.665 8.403 ( 3.996 17.950 1.602) 18.459 8.449 ( -0.178 18.326 3.237) 18.610 8.557 ( 6.865 12.974 -2.471) 14.884 8.663 ( -3.600 14.454 -3.133) 15.221 9.531 ( 13.753 -2.190 5.396) 14.935 9.769 ( -8.312 -5.913 3.209) 10.693 9.964 ( 4.706 -2.686 -7.699) 9.414 10.120 ( -8.799 -2.801 -6.088) 11.060 11.664 ( 3.935 -3.904 4.789) 7.325 11.737 ( -2.431 -4.989 5.878) 8.084 12.028 ( 5.686 -6.852 -1.445) 9.021 12.198 ( -10.932 -7.339 -4.838) 14.028 14.670 ( 3.943 12.931 0.729) 13.539 14.699 ( 1.596 14.300 0.758) 14.409 14.789 ( 0.896 12.060 -0.059) 12.094 14.844 ( -4.162 13.147 -1.247) 13.846 16.953 ( 29.657 -1.777 3.874) 29.962 17.185 ( 20.356 -3.979 -4.496) 21.223 17.492 ( -25.247 -3.623 1.852) 25.573 17.578 ( -19.133 -4.357 -1.217) 19.661 ======================= Grid point 180 (66/120) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 0.000 17.154 1.713) 17.239 2.646 ( 0.000 19.112 -4.091) 19.545 2.911 ( 0.000 16.147 7.376) 17.751 3.234 ( 0.000 10.863 -5.938) 12.380 3.426 ( 0.000 4.987 4.160) 6.495 3.568 ( 0.000 4.240 -2.243) 4.797 3.733 ( 0.000 -0.946 3.161) 3.300 3.756 ( 0.000 2.303 1.544) 2.773 3.892 ( 0.000 -4.439 1.589) 4.715 3.997 ( 0.000 -7.584 -2.033) 7.852 4.274 ( 0.000 4.714 2.438) 5.307 4.688 ( 0.000 7.537 -15.291) 17.048 5.063 ( 0.000 4.377 -0.217) 4.382 5.125 ( 0.000 9.997 -2.804) 10.382 5.333 ( 0.000 4.451 2.323) 5.020 5.334 ( 0.000 12.806 9.423) 15.899 5.578 ( 0.000 16.569 -0.732) 16.585 5.624 ( 0.000 9.066 0.480) 9.079 5.757 ( 0.000 13.674 1.574) 13.764 5.820 ( 0.000 5.472 6.732) 8.675 5.971 ( 0.000 11.113 -5.879) 12.572 6.059 ( 0.000 18.990 3.402) 19.293 6.161 ( 0.000 -2.454 -4.968) 5.541 6.269 ( 0.000 14.396 -2.293) 14.578 6.780 ( 0.000 -2.735 4.563) 5.320 6.874 ( 0.000 6.919 -0.563) 6.942 7.049 ( 0.000 -8.183 5.504) 9.861 7.499 ( 0.000 -8.403 -10.199) 13.214 7.892 ( 0.000 0.830 5.104) 5.171 8.148 ( 0.000 -1.815 -5.146) 5.457 8.630 ( 0.000 14.217 2.492) 14.434 8.703 ( 0.000 10.304 -0.367) 10.311 9.403 ( 0.000 21.138 6.304) 22.058 9.701 ( 0.000 0.952 -4.355) 4.458 9.999 ( 0.000 -17.377 5.212) 18.142 10.392 ( 0.000 0.544 -9.106) 9.123 11.558 ( 0.000 2.706 0.902) 2.852 11.649 ( 0.000 -1.709 -3.835) 4.198 12.048 ( 0.000 -7.014 12.170) 14.046 12.576 ( 0.000 -14.894 -8.619) 17.209 14.149 ( 0.000 -1.982 0.953) 2.199 14.221 ( 0.000 -3.233 -1.686) 3.646 14.946 ( 0.000 11.938 4.851) 12.886 15.188 ( 0.000 7.515 -3.591) 8.329 15.839 ( 0.000 12.360 10.975) 16.530 16.473 ( 0.000 -2.307 -11.754) 11.978 18.229 ( 0.000 -3.962 2.865) 4.889 18.327 ( 0.000 -6.617 -0.907) 6.679 ======================= Grid point 181 (67/120) ======================= q-point: ( 0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 4.917 14.410 1.437) 15.293 2.671 ( 2.230 17.364 -3.671) 17.887 2.933 ( 2.303 15.611 7.458) 17.454 3.263 ( 2.296 9.955 -4.947) 11.351 3.375 ( -4.409 4.794 2.482) 6.970 3.528 ( -4.076 3.456 -2.808) 6.036 3.721 ( -1.614 0.555 3.051) 3.496 3.740 ( -1.278 1.218 2.342) 2.932 3.866 ( -2.338 -3.336 1.208) 4.249 3.966 ( -2.260 -6.224 -2.586) 7.108 4.293 ( 2.071 4.110 3.780) 5.956 4.732 ( 3.769 5.599 -14.691) 16.167 5.063 ( -1.528 4.889 0.230) 5.127 5.145 ( 1.315 9.674 -2.451) 10.066 5.201 ( -12.666 3.495 2.465) 13.369 5.343 ( -0.464 10.605 4.642) 11.586 5.449 ( -7.150 15.595 0.594) 17.167 5.630 ( 0.610 9.593 -1.240) 9.692 5.699 ( 1.248 13.441 5.978) 14.763 5.976 ( 0.937 10.858 -1.245) 10.969 5.995 ( 7.276 10.695 2.112) 13.107 6.101 ( 3.664 13.457 2.134) 14.110 6.202 ( 5.794 5.051 -2.038) 7.952 6.368 ( 8.455 10.905 -4.656) 14.563 6.790 ( 0.529 -2.012 3.801) 4.333 6.852 ( -2.189 4.540 -0.185) 5.044 7.052 ( 0.356 -6.111 5.436) 8.186 7.475 ( -3.058 -9.320 -8.724) 13.127 7.954 ( 6.965 1.746 3.982) 8.211 8.193 ( 4.698 -0.817 -5.108) 6.988 8.664 ( 3.373 14.397 2.989) 15.086 8.755 ( 5.078 10.765 -0.575) 11.917 9.407 ( 0.398 20.014 5.840) 20.853 9.696 ( -0.417 0.302 -4.340) 4.370 9.977 ( -2.308 -16.800 5.179) 17.731 10.371 ( -2.134 0.338 -9.139) 9.391 11.565 ( 0.656 2.238 0.930) 2.511 11.650 ( 0.217 -0.913 -3.598) 3.719 12.018 ( -2.984 -6.661 11.921) 13.978 12.528 ( -4.746 -13.764 -8.190) 16.705 14.243 ( 9.309 -1.585 0.895) 9.485 14.321 ( 9.806 -3.142 -2.005) 10.490 14.951 ( 0.441 11.521 4.874) 12.517 15.182 ( -0.669 7.082 -3.139) 7.775 15.892 ( 5.879 11.743 10.091) 16.561 16.487 ( 1.770 -2.015 -11.099) 11.418 18.186 ( -4.504 -3.917 2.603) 6.512 18.274 ( -5.555 -6.319 -0.783) 8.450 ======================= Grid point 182 (68/120) ======================= q-point: ( 0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 4.186 8.609 1.125) 9.638 2.723 ( 3.687 11.918 -2.876) 12.803 2.992 ( 3.557 14.452 7.562) 16.694 3.207 ( -7.753 3.871 2.665) 9.066 3.369 ( 2.385 5.772 -5.720) 8.469 3.435 ( -3.978 2.894 -4.296) 6.531 3.648 ( -5.511 3.055 3.662) 7.288 3.724 ( -1.134 -0.241 2.266) 2.546 3.831 ( -0.084 -1.172 0.862) 1.457 3.948 ( 0.557 -2.939 -2.332) 3.793 4.352 ( 3.589 3.133 5.076) 6.961 4.771 ( -3.365 0.218 -8.958) 9.572 4.892 ( -15.356 4.281 2.541) 16.143 4.980 ( -5.296 9.011 -3.305) 10.963 5.151 ( -1.965 9.551 -2.495) 10.065 5.299 ( -0.857 12.149 -9.028) 15.160 5.468 ( 5.736 12.319 7.838) 15.688 5.665 ( 3.244 6.505 -1.073) 7.347 5.766 ( 4.873 13.938 7.350) 16.494 5.985 ( 0.186 10.740 0.417) 10.750 6.098 ( 3.728 11.955 4.019) 13.152 6.179 ( 5.342 9.725 2.166) 11.305 6.362 ( 9.012 7.309 -1.572) 11.709 6.540 ( 8.585 9.849 -5.478) 14.168 6.765 ( -3.336 2.662 3.072) 5.259 6.811 ( -1.692 -1.134 -0.464) 2.089 7.060 ( 0.128 -1.548 4.332) 4.602 7.367 ( -8.137 -9.316 -5.331) 13.469 8.158 ( 13.614 2.343 1.625) 13.909 8.326 ( 8.947 1.592 -4.541) 10.158 8.743 ( 4.343 14.872 3.943) 15.987 8.871 ( 6.193 11.829 -1.077) 13.396 9.420 ( 1.103 16.395 4.882) 17.142 9.694 ( 0.541 -1.526 -3.965) 4.283 9.913 ( -4.215 -14.704 4.737) 16.013 10.311 ( -4.144 -0.207 -9.213) 10.104 11.579 ( 0.722 1.085 1.119) 1.718 11.665 ( 1.563 0.758 -2.569) 3.101 11.944 ( -4.327 -5.869 10.710) 12.957 12.405 ( -7.784 -11.236 -7.203) 15.450 14.467 ( 12.898 0.208 0.719) 12.919 14.553 ( 13.078 -1.525 -2.581) 13.417 14.961 ( 0.596 10.279 4.753) 11.340 15.159 ( -1.887 6.425 -2.133) 7.028 16.082 ( 14.444 8.922 7.846) 18.703 16.563 ( 6.903 -1.820 -9.166) 11.618 18.053 ( -9.465 -3.861 1.857) 10.389 18.111 ( -11.576 -5.542 -0.389) 12.840 ======================= Grid point 183 (69/120) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 0.691 4.708 1.901) 5.124 2.810 ( 3.195 3.006 -4.163) 6.048 3.059 ( -0.497 6.292 7.038) 9.453 3.074 ( 0.145 8.893 4.341) 9.897 3.315 ( -4.705 -3.521 -3.688) 6.938 3.434 ( -2.266 5.803 -4.284) 7.561 3.556 ( -1.371 4.397 2.989) 5.490 3.690 ( -2.061 0.906 0.048) 2.252 3.883 ( 5.119 1.620 0.880) 5.441 3.982 ( 2.933 0.079 -1.532) 3.310 4.364 ( -5.258 2.118 3.730) 6.786 4.558 ( -14.806 1.534 -1.218) 14.935 4.683 ( -2.585 7.403 2.886) 8.356 4.994 ( 2.675 7.564 -10.410) 13.143 5.084 ( -3.795 9.954 -2.880) 11.035 5.280 ( -2.011 10.986 -10.361) 15.235 5.612 ( 8.688 9.733 6.519) 14.585 5.751 ( 5.464 4.865 0.076) 7.317 5.858 ( 3.960 13.240 7.751) 15.845 5.976 ( -1.306 9.250 2.286) 9.618 6.154 ( 2.780 10.207 5.534) 11.939 6.299 ( 5.811 7.832 2.760) 10.135 6.509 ( 5.587 6.271 -2.039) 8.643 6.631 ( 0.488 0.413 -1.087) 1.261 6.759 ( 4.826 11.347 -2.263) 12.536 6.770 ( -2.491 1.416 -1.628) 3.296 7.044 ( -2.053 2.909 1.765) 3.974 7.179 ( -10.851 -6.971 -2.052) 13.060 8.437 ( 14.441 3.290 0.237) 14.813 8.519 ( 10.749 4.797 -3.316) 12.229 8.807 ( 1.731 14.719 4.000) 15.350 8.953 ( 1.398 12.049 -1.666) 12.244 9.455 ( 2.704 10.001 4.655) 11.358 9.716 ( 0.158 -4.921 1.018) 5.027 9.839 ( -1.475 -8.718 -0.534) 8.858 10.212 ( -6.232 -0.876 -9.154) 11.109 11.595 ( 1.093 0.591 2.293) 2.608 11.702 ( 1.388 0.745 0.889) 1.808 11.876 ( -1.628 -4.784 5.889) 7.760 12.242 ( -9.084 -8.395 -6.007) 13.750 14.696 ( 10.402 3.332 0.555) 10.936 14.777 ( 9.703 2.345 -2.614) 10.318 14.968 ( -0.124 8.421 3.896) 9.279 15.109 ( -3.315 6.264 -1.367) 7.218 16.447 ( 23.213 3.966 5.226) 24.122 16.770 ( 14.867 -2.584 -6.261) 16.337 17.821 ( -14.887 -3.870 0.694) 15.398 17.828 ( -17.899 -4.481 0.328) 18.455 ======================= Grid point 184 (70/120) ======================= q-point: ( 0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 2.745 1.496 1.576) 3.501 2.773 ( -5.071 0.370 -1.232) 5.231 3.093 ( 5.809 -2.358 2.607) 6.790 3.165 ( 4.563 11.191 5.964) 13.477 3.224 ( -3.816 -5.892 -2.477) 7.444 3.316 ( -7.596 6.272 2.069) 10.066 3.593 ( 3.042 3.965 -1.678) 5.272 3.647 ( -2.520 2.462 -1.337) 3.768 4.007 ( 7.179 2.998 0.005) 7.779 4.064 ( 5.117 2.014 -1.703) 5.756 4.200 ( -7.633 3.764 2.348) 8.828 4.288 ( -12.307 3.349 -0.508) 12.765 4.763 ( 7.718 7.779 1.936) 11.128 4.920 ( -7.841 8.738 -0.733) 11.763 5.122 ( 5.099 7.898 -10.886) 14.384 5.217 ( -4.385 9.189 -10.872) 14.895 5.773 ( 7.413 8.618 5.399) 12.584 5.846 ( 2.613 5.159 1.375) 5.945 5.892 ( 0.108 12.387 7.213) 14.335 5.935 ( -2.668 7.761 3.561) 8.946 6.225 ( 4.859 6.836 6.414) 10.559 6.322 ( -3.816 4.615 6.065) 8.523 6.593 ( 5.217 4.420 -4.975) 8.456 6.676 ( -0.750 -0.726 -3.935) 4.071 6.737 ( 3.932 5.478 0.154) 6.745 6.850 ( 0.132 8.335 -4.283) 9.372 6.964 ( -4.177 1.334 1.036) 4.506 7.010 ( -5.137 5.255 -0.022) 7.349 8.666 ( 8.809 7.731 0.536) 11.733 8.724 ( 8.907 8.222 -1.917) 12.273 8.799 ( -1.379 11.116 1.824) 11.349 8.909 ( -5.870 9.663 -2.159) 11.510 9.530 ( 5.179 2.345 5.922) 8.209 9.642 ( -6.023 -4.594 6.958) 10.285 9.918 ( 7.598 -2.712 -7.559) 11.055 10.074 ( -8.062 -1.553 -8.665) 11.937 11.628 ( 2.439 0.096 4.537) 5.152 11.683 ( -2.860 -0.489 5.906) 6.580 11.923 ( 5.954 -3.935 -2.153) 7.455 12.068 ( -8.705 -5.727 -4.618) 11.398 14.855 ( 6.091 5.973 0.830) 8.571 14.912 ( 2.850 6.930 -0.456) 7.507 14.957 ( 0.741 5.544 0.852) 5.658 15.034 ( -4.455 6.102 -1.201) 7.650 16.934 ( 26.466 -0.308 2.985) 26.636 17.111 ( 19.681 -3.526 -3.371) 20.277 17.426 ( -23.642 -2.946 1.517) 23.873 17.495 ( -19.041 -3.960 -0.937) 19.471 ======================= Grid point 189 (71/120) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 0.000 15.827 1.525) 15.900 2.985 ( 0.000 14.469 -4.729) 15.222 3.195 ( 0.000 12.231 7.148) 14.166 3.445 ( 0.000 9.802 -1.803) 9.966 3.506 ( 0.000 2.775 3.583) 4.532 3.631 ( 0.000 1.707 -1.636) 2.365 3.692 ( 0.000 -3.762 1.540) 4.065 3.776 ( 0.000 -1.490 -1.582) 2.173 3.796 ( 0.000 -3.867 1.574) 4.175 3.836 ( 0.000 -7.403 0.218) 7.407 4.368 ( 0.000 4.984 0.285) 4.992 4.712 ( 0.000 -3.473 -12.589) 13.059 5.171 ( 0.000 5.990 -0.558) 6.015 5.298 ( 0.000 6.385 -3.105) 7.099 5.388 ( 0.000 2.371 0.920) 2.544 5.508 ( 0.000 5.376 2.249) 5.827 5.711 ( 0.000 1.167 3.285) 3.486 5.780 ( 0.000 1.688 0.854) 1.892 5.955 ( 0.000 6.908 9.083) 11.411 6.025 ( 0.000 12.962 1.643) 13.066 6.125 ( 0.000 2.671 4.393) 5.141 6.166 ( 0.000 9.339 -3.213) 9.876 6.446 ( 0.000 15.104 -4.276) 15.698 6.527 ( 0.000 8.985 -3.467) 9.630 6.802 ( 0.000 0.957 7.266) 7.328 6.908 ( 0.000 -1.783 2.900) 3.404 7.015 ( 0.000 6.303 -2.623) 6.826 7.270 ( 0.000 -13.447 -8.204) 15.752 7.916 ( 0.000 1.866 2.607) 3.206 8.092 ( 0.000 -3.279 -3.756) 4.986 8.876 ( 0.000 9.699 1.130) 9.765 8.900 ( 0.000 8.338 0.249) 8.341 9.594 ( 0.000 -7.075 -0.698) 7.109 9.623 ( 0.000 -7.083 -1.039) 7.159 9.903 ( 0.000 13.106 9.415) 16.138 10.413 ( 0.000 0.410 -9.753) 9.761 11.606 ( 0.000 1.866 0.401) 1.908 11.626 ( 0.000 -0.518 -0.220) 0.563 11.970 ( 0.000 -1.029 6.654) 6.733 12.309 ( 0.000 -11.601 -5.754) 12.950 14.114 ( 0.000 -1.297 0.588) 1.424 14.160 ( 0.000 -2.706 -1.056) 2.905 15.134 ( 0.000 6.984 4.059) 8.078 15.276 ( 0.000 1.913 -0.154) 1.919 16.057 ( 0.000 9.263 4.129) 10.142 16.410 ( 0.000 -3.815 -7.675) 8.571 18.163 ( 0.000 -2.549 1.564) 2.991 18.213 ( 0.000 -4.632 -0.318) 4.643 ======================= Grid point 190 (72/120) ======================= q-point: ( 0.11 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -0.042 13.507 1.677) 13.611 2.975 ( -1.417 12.539 -4.302) 13.331 3.206 ( 1.221 11.612 6.787) 13.505 3.426 ( -5.175 4.618 3.293) 7.677 3.478 ( -0.102 6.435 -3.128) 7.156 3.580 ( -4.725 1.897 -1.921) 5.441 3.691 ( 0.587 -3.216 2.509) 4.120 3.765 ( -2.338 0.079 1.003) 2.545 3.791 ( -0.527 -3.662 0.643) 3.755 3.835 ( 1.199 -6.202 -1.424) 6.476 4.378 ( 1.196 4.693 1.374) 5.034 4.726 ( 1.035 -4.248 -10.874) 11.720 5.152 ( -3.932 4.036 -1.282) 5.779 5.247 ( -8.503 1.425 -0.427) 8.632 5.336 ( -0.426 8.550 -1.694) 8.726 5.506 ( -0.845 5.424 -1.930) 5.819 5.643 ( -4.003 4.928 3.301) 7.156 5.760 ( -1.107 2.815 1.346) 3.310 5.918 ( 1.199 8.472 6.743) 10.894 6.137 ( 0.789 4.461 4.953) 6.713 6.178 ( 7.955 7.882 1.991) 11.374 6.216 ( 4.991 7.212 1.629) 8.921 6.482 ( 3.813 14.300 -4.087) 15.353 6.582 ( 4.802 6.831 -5.064) 9.766 6.812 ( 0.709 -0.475 7.008) 7.059 6.884 ( -1.386 3.597 1.754) 4.235 7.041 ( 2.349 4.435 -1.803) 5.332 7.243 ( -2.863 -12.909 -6.672) 14.811 7.989 ( 7.583 1.999 1.933) 8.077 8.152 ( 6.114 -2.747 -3.762) 7.686 8.915 ( 3.917 10.092 1.556) 10.937 8.957 ( 5.596 8.536 0.048) 10.207 9.570 ( -2.468 -7.594 -0.392) 7.994 9.613 ( -0.861 -7.414 -1.451) 7.604 9.892 ( -1.161 12.937 9.164) 15.896 10.390 ( -2.346 0.379 -9.544) 9.835 11.603 ( -0.077 1.451 0.912) 1.715 11.643 ( 1.565 0.160 -0.827) 1.778 11.947 ( -2.402 -0.763 6.652) 7.114 12.280 ( -3.043 -10.968 -5.579) 12.676 14.212 ( 9.813 -1.254 0.504) 9.906 14.259 ( 9.933 -2.796 -1.198) 10.389 15.131 ( -0.297 6.688 3.951) 7.774 15.267 ( -1.007 1.865 -0.147) 2.125 16.098 ( 4.480 8.694 3.920) 10.537 16.429 ( 2.256 -3.554 -7.226) 8.363 18.120 ( -4.528 -2.596 1.435) 5.413 18.165 ( -5.096 -4.470 -0.248) 6.783 ======================= Grid point 191 (73/120) ======================= q-point: ( 0.22 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -1.553 8.125 1.620) 8.430 2.923 ( -3.634 7.509 -3.235) 8.948 3.240 ( 1.080 8.610 5.035) 10.033 3.270 ( -8.876 3.554 4.289) 10.479 3.409 ( -7.622 0.565 -3.403) 8.367 3.549 ( 1.679 6.563 -3.559) 7.652 3.698 ( -4.099 1.148 1.840) 4.637 3.702 ( -0.263 -1.448 3.264) 3.580 3.803 ( 3.382 -1.308 0.105) 3.627 3.889 ( 3.957 -2.883 -1.436) 5.102 4.414 ( 2.014 3.467 2.868) 4.930 4.710 ( -4.441 -4.724 -4.482) 7.882 4.979 ( -11.273 3.964 -0.600) 11.965 5.095 ( -5.335 2.738 -5.862) 8.385 5.327 ( -1.885 7.807 -3.000) 8.573 5.478 ( -1.750 5.500 -7.530) 9.487 5.643 ( 3.498 6.456 4.951) 8.856 5.765 ( 1.743 3.497 0.853) 3.999 5.971 ( 3.390 6.501 6.802) 10.001 6.134 ( -0.890 3.919 3.035) 5.036 6.298 ( 4.243 5.687 4.192) 8.241 6.314 ( 5.068 7.899 6.223) 11.261 6.577 ( 4.440 9.014 -4.673) 11.082 6.641 ( 0.613 0.760 -2.117) 2.332 6.849 ( 4.394 5.495 1.003) 7.108 6.889 ( 1.873 8.937 0.821) 9.168 7.088 ( 1.608 2.185 -1.832) 3.274 7.166 ( -4.346 -8.871 -2.772) 10.260 8.195 ( 13.424 1.653 0.780) 13.547 8.318 ( 10.856 -1.680 -3.463) 11.519 9.005 ( 4.545 10.770 2.434) 11.941 9.088 ( 6.938 9.382 -0.527) 11.681 9.507 ( -3.586 -8.789 0.565) 9.509 9.605 ( 0.688 -7.970 -2.482) 8.376 9.857 ( -2.517 12.196 8.475) 15.063 10.323 ( -4.702 0.150 -8.927) 10.091 11.607 ( 0.551 1.719 1.558) 2.384 11.682 ( 2.434 0.525 -1.616) 2.969 11.885 ( -3.738 -0.251 6.478) 7.483 12.198 ( -5.275 -9.355 -5.110) 11.894 14.458 ( 14.701 -0.721 0.317) 14.722 14.508 ( 14.862 -2.477 -1.525) 15.144 15.121 ( -0.769 5.858 3.552) 6.894 15.237 ( -2.095 1.799 -0.184) 2.768 16.241 ( 10.873 6.776 3.389) 13.252 16.512 ( 6.957 -3.120 -5.910) 9.648 17.986 ( -9.582 -2.752 1.050) 10.025 18.014 ( -10.762 -4.001 -0.022) 11.481 ======================= Grid point 192 (74/120) ======================= q-point: ( 0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -2.602 4.115 1.310) 5.042 2.863 ( -2.518 2.189 -3.450) 4.799 3.073 ( -8.738 -0.369 3.950) 9.596 3.226 ( -7.405 -4.139 -1.162) 8.562 3.324 ( 2.500 10.850 3.868) 11.788 3.560 ( -2.286 6.157 -2.018) 6.871 3.638 ( -0.510 3.422 1.839) 3.919 3.693 ( -0.572 -0.783 1.527) 1.809 3.911 ( 7.170 1.160 0.056) 7.264 3.979 ( 5.434 -0.486 -0.927) 5.534 4.399 ( -5.212 1.712 3.045) 6.275 4.547 ( -11.188 -1.865 -0.133) 11.343 4.831 ( -1.646 7.034 0.053) 7.224 5.084 ( 3.003 1.412 -10.860) 11.356 5.249 ( -5.974 6.774 -2.591) 9.396 5.425 ( -4.067 3.537 -8.817) 10.334 5.742 ( 6.246 4.807 3.344) 8.561 5.824 ( 4.156 2.906 0.287) 5.079 6.025 ( 1.786 3.782 6.319) 7.578 6.099 ( -2.811 2.313 3.948) 5.370 6.349 ( 1.639 9.123 6.542) 11.345 6.408 ( 3.597 3.573 6.460) 8.212 6.565 ( -1.551 -2.340 0.341) 2.828 6.705 ( 3.621 7.653 -4.284) 9.489 6.902 ( 1.206 10.026 -1.471) 10.205 6.986 ( 6.426 9.252 -3.759) 11.875 7.026 ( -5.539 -3.952 1.010) 6.878 7.155 ( 1.114 4.017 -1.844) 4.559 8.476 ( 15.191 1.085 0.141) 15.230 8.550 ( 12.961 -0.619 -2.669) 13.247 9.045 ( -1.247 8.580 2.426) 9.004 9.156 ( -1.654 7.733 -1.672) 8.083 9.476 ( 1.787 -6.080 2.985) 7.005 9.672 ( 6.739 -5.839 -3.637) 9.630 9.794 ( -4.061 10.123 7.365) 13.161 10.209 ( -7.212 -0.500 -7.917) 10.721 11.625 ( 1.296 2.272 2.288) 3.475 11.729 ( 1.723 1.328 -1.041) 2.411 11.821 ( -1.999 -0.822 4.593) 5.076 12.085 ( -6.355 -7.214 -4.423) 10.582 14.731 ( 12.891 0.662 0.215) 12.910 14.782 ( 12.822 -1.039 -1.681) 12.974 15.098 ( -1.794 4.679 2.711) 5.698 15.186 ( -3.361 1.781 -0.365) 3.821 16.525 ( 18.671 3.549 2.653) 19.190 16.713 ( 14.197 -3.093 -3.971) 15.063 17.750 ( -16.629 -3.218 0.399) 16.942 17.751 ( -15.175 -3.018 0.392) 15.477 ======================= Grid point 193 (75/120) ======================= q-point: ( 0.44 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 1.047 2.452 0.832) 2.793 2.794 ( -4.747 1.812 -1.563) 5.316 2.997 ( 1.282 -5.402 1.776) 5.829 3.081 ( -6.633 -6.675 -1.318) 9.502 3.397 ( 4.359 10.212 4.157) 11.856 3.483 ( -4.573 8.343 2.416) 9.816 3.657 ( 1.395 2.214 -0.074) 2.618 3.680 ( -0.889 0.634 0.443) 1.178 4.058 ( 7.660 2.191 -0.245) 7.971 4.099 ( 6.576 1.444 -1.304) 6.858 4.253 ( -7.215 1.686 2.610) 7.856 4.324 ( -11.004 0.369 0.337) 11.016 4.909 ( 7.789 6.959 -0.503) 10.457 5.072 ( -7.743 6.558 -3.275) 10.663 5.208 ( 5.034 0.903 -8.835) 10.208 5.325 ( -6.135 1.698 -9.508) 11.442 5.862 ( 5.623 2.474 2.074) 6.484 5.901 ( 2.602 1.695 0.258) 3.116 6.028 ( -1.315 1.298 4.550) 4.911 6.034 ( -3.037 1.675 4.788) 5.912 6.376 ( 1.508 7.793 7.524) 10.937 6.411 ( -1.972 4.554 7.227) 8.767 6.616 ( 5.562 -1.365 0.362) 5.739 6.713 ( -3.234 0.404 -2.928) 4.381 6.918 ( 0.777 11.023 -1.308) 11.128 6.943 ( -2.266 7.264 0.741) 7.645 7.097 ( 4.506 7.709 -3.645) 9.645 7.154 ( -1.446 6.298 -3.170) 7.198 8.749 ( 12.697 1.684 0.257) 12.811 8.800 ( 12.848 0.390 -1.955) 13.002 8.952 ( -7.993 4.111 1.225) 9.071 9.030 ( -10.175 2.036 -1.843) 10.539 9.569 ( 6.550 2.697 5.027) 8.686 9.692 ( -5.864 7.956 6.328) 11.735 9.852 ( 10.342 -3.630 -5.025) 12.058 10.048 ( -9.606 -1.669 -6.564) 11.754 11.658 ( 2.207 2.648 3.200) 4.704 11.708 ( -2.781 2.660 3.622) 5.285 11.856 ( 4.644 -2.988 -1.874) 5.832 11.963 ( -6.195 -4.919 -3.502) 8.651 14.932 ( 8.008 2.227 0.519) 8.328 14.981 ( 7.953 0.858 -1.285) 8.102 15.046 ( -3.844 3.308 1.493) 5.287 15.106 ( -5.078 1.578 -0.729) 5.367 16.934 ( 23.193 0.312 1.778) 23.263 17.042 ( 19.366 -3.288 -2.068) 19.752 17.376 ( -21.855 -1.947 1.034) 21.966 17.421 ( -19.120 -3.301 -0.568) 19.411 ======================= Grid point 198 (76/120) ======================= q-point: ( 0.00 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 0.000 11.860 0.370) 11.866 3.194 ( 0.000 4.315 -2.993) 5.252 3.400 ( 0.000 8.024 7.051) 10.681 3.508 ( 0.000 -2.459 6.038) 6.519 3.581 ( 0.000 -4.424 -2.087) 4.891 3.605 ( 0.000 -4.271 -2.887) 5.155 3.626 ( 0.000 7.322 -0.874) 7.374 3.719 ( 0.000 -1.285 1.188) 1.750 3.745 ( 0.000 -2.024 1.384) 2.452 3.749 ( 0.000 -3.005 -1.689) 3.447 4.480 ( 0.000 6.121 -3.400) 7.002 4.607 ( 0.000 -6.231 -7.585) 9.816 5.276 ( 0.000 4.169 -1.747) 4.521 5.334 ( 0.000 -1.425 -1.362) 1.971 5.481 ( 0.000 5.291 -2.755) 5.965 5.551 ( 0.000 -1.034 -2.087) 2.329 5.720 ( 0.000 0.555 4.021) 4.059 5.750 ( 0.000 -2.390 2.830) 3.704 6.070 ( 0.000 4.379 11.963) 12.739 6.124 ( 0.000 -0.812 12.475) 12.501 6.303 ( 0.000 10.668 -3.520) 11.233 6.342 ( 0.000 6.909 -3.211) 7.619 6.595 ( 0.000 -1.416 -0.816) 1.634 6.619 ( 0.000 -2.817 0.439) 2.851 6.777 ( 0.000 7.713 -2.303) 8.050 6.998 ( 0.000 -12.552 -6.623) 14.192 7.030 ( 0.000 6.839 1.200) 6.943 7.094 ( 0.000 0.597 -1.305) 1.435 7.964 ( 0.000 2.841 -0.072) 2.842 8.026 ( 0.000 -3.250 -2.189) 3.919 9.008 ( 0.000 3.464 0.800) 3.556 9.014 ( 0.000 2.801 0.606) 2.866 9.465 ( 0.000 -3.001 0.196) 3.007 9.489 ( 0.000 -4.872 -0.601) 4.909 10.187 ( 0.000 12.353 3.053) 12.725 10.368 ( 0.000 -5.500 -3.433) 6.484 11.626 ( 0.000 0.350 0.703) 0.785 11.629 ( 0.000 0.366 0.410) 0.550 11.998 ( 0.000 3.621 1.346) 3.863 12.113 ( 0.000 -7.872 -2.612) 8.294 14.101 ( 0.000 0.036 0.110) 0.116 14.117 ( 0.000 -1.532 -0.456) 1.599 15.237 ( 0.000 3.540 2.968) 4.620 15.282 ( 0.000 -1.076 1.702) 2.014 16.212 ( 0.000 6.416 -0.450) 6.432 16.323 ( 0.000 -4.833 -4.066) 6.316 18.131 ( 0.000 -0.528 0.754) 0.921 18.145 ( 0.000 -2.048 0.209) 2.058 ======================= Grid point 199 (77/120) ======================= q-point: ( 0.11 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -4.386 9.759 0.701) 10.723 3.140 ( -5.493 2.465 -2.338) 6.459 3.391 ( -1.080 6.307 5.769) 8.616 3.457 ( -5.270 -0.851 3.394) 6.326 3.564 ( -3.627 1.191 -2.169) 4.390 3.614 ( 1.470 -3.439 0.875) 3.841 3.642 ( 1.326 4.778 -0.368) 4.972 3.717 ( 0.348 -3.193 1.175) 3.420 3.738 ( 0.435 -1.688 0.297) 1.768 3.757 ( 1.210 -2.228 -2.009) 3.235 4.486 ( 0.670 6.064 -2.315) 6.526 4.613 ( 0.494 -6.377 -6.238) 8.935 5.217 ( -6.676 2.543 -2.396) 7.535 5.253 ( -7.413 -0.853 -2.003) 7.726 5.480 ( -0.152 5.643 -3.065) 6.424 5.550 ( -0.432 -0.935 -3.732) 3.872 5.709 ( 0.086 2.546 4.305) 5.002 5.757 ( 1.035 -2.022 3.397) 4.086 6.065 ( 0.145 5.998 9.974) 11.640 6.148 ( 1.297 -2.222 11.420) 11.706 6.334 ( 1.733 7.404 -3.182) 8.244 6.385 ( 4.387 5.719 -1.524) 7.367 6.599 ( 0.116 -1.140 0.670) 1.327 6.658 ( 3.424 -1.047 -0.905) 3.693 6.812 ( 4.075 6.444 -1.716) 7.815 6.996 ( -0.060 -10.510 -5.525) 11.874 7.039 ( 0.999 6.633 1.002) 6.782 7.104 ( 1.211 0.497 -1.384) 1.905 8.036 ( 7.323 2.667 -0.334) 7.800 8.093 ( 6.853 -2.966 -2.270) 7.804 9.059 ( 5.083 4.162 1.149) 6.670 9.075 ( 6.073 2.755 0.649) 6.700 9.438 ( -2.890 -3.010 0.176) 4.177 9.468 ( -1.973 -5.451 -0.838) 5.857 10.169 ( -1.879 12.053 3.005) 12.563 10.346 ( -2.303 -5.390 -3.322) 6.737 11.628 ( 0.504 1.136 0.819) 1.488 11.644 ( 1.318 -0.340 0.167) 1.371 11.977 ( -2.036 3.710 1.364) 4.446 12.092 ( -2.179 -7.639 -2.553) 8.344 14.199 ( 9.865 0.012 0.028) 9.865 14.215 ( 9.867 -1.562 -0.539) 10.004 15.229 ( -0.771 3.377 2.817) 4.465 15.273 ( -0.987 -1.025 1.567) 2.117 16.244 ( 3.437 6.012 -0.340) 6.933 16.348 ( 2.754 -4.556 -3.775) 6.526 18.086 ( -4.666 -0.603 0.707) 4.757 18.099 ( -4.840 -1.954 0.222) 5.224 ======================= Grid point 200 (78/120) ======================= q-point: ( 0.22 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -6.456 5.858 0.965) 8.771 3.005 ( -7.744 0.291 -1.223) 7.845 3.295 ( -10.192 1.616 0.973) 10.365 3.328 ( -7.984 -1.065 1.017) 8.119 3.498 ( -1.046 7.448 2.728) 8.001 3.623 ( 0.246 -3.956 3.192) 5.089 3.669 ( 0.713 3.245 -0.816) 3.421 3.715 ( -1.149 -0.589 0.659) 1.450 3.793 ( 5.962 0.628 -0.639) 6.029 3.831 ( 5.830 -2.781 -1.368) 6.602 4.498 ( -0.110 4.908 -0.085) 4.910 4.604 ( -2.377 -5.503 -2.476) 6.486 5.052 ( -8.482 3.319 -2.690) 9.497 5.104 ( -6.546 -1.485 -4.997) 8.369 5.458 ( -2.804 5.045 -4.393) 7.253 5.521 ( -2.875 -0.911 -6.091) 6.797 5.747 ( 3.569 3.973 4.375) 6.903 5.796 ( 2.964 -0.600 3.345) 4.509 6.072 ( 0.127 4.359 6.833) 8.105 6.143 ( -1.819 -2.259 6.257) 6.897 6.386 ( 3.681 4.480 1.425) 5.971 6.452 ( 2.267 0.865 1.105) 2.666 6.590 ( -1.002 4.000 2.788) 4.978 6.719 ( 2.034 -2.877 -1.385) 3.786 6.926 ( 6.884 3.834 -1.455) 8.013 7.010 ( 2.107 -3.762 -3.591) 5.612 7.070 ( 2.167 7.077 0.050) 7.402 7.144 ( 2.789 -0.276 -1.966) 3.423 8.231 ( 12.560 2.012 -0.686) 12.739 8.275 ( 11.727 -2.310 -2.195) 12.153 9.172 ( 4.845 6.249 2.169) 8.199 9.233 ( 10.032 3.474 0.777) 10.645 9.354 ( -5.782 -3.297 0.250) 6.661 9.436 ( 0.208 -7.653 -1.837) 7.873 10.113 ( -4.032 11.157 2.879) 12.207 10.278 ( -4.811 -5.130 -3.010) 7.650 11.646 ( 1.314 1.963 0.938) 2.542 11.677 ( 2.131 -1.002 -0.283) 2.372 11.924 ( -3.407 3.867 1.397) 5.340 12.034 ( -3.783 -6.961 -2.369) 8.270 14.450 ( 15.291 0.109 -0.161) 15.292 14.466 ( 15.332 -1.523 -0.752) 15.426 15.207 ( -1.620 2.917 2.359) 4.086 15.244 ( -2.016 -0.870 1.181) 2.493 16.356 ( 8.687 4.820 -0.032) 9.935 16.442 ( 7.497 -3.875 -2.943) 8.938 17.948 ( -9.872 -0.837 0.565) 9.924 17.956 ( -10.242 -1.662 0.268) 10.380 ======================= Grid point 201 (79/120) ======================= q-point: ( 0.33 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( -4.528 3.558 0.800) 5.814 2.880 ( -4.500 -0.900 -0.954) 4.688 3.078 ( -11.324 1.556 0.940) 11.469 3.138 ( -10.562 -4.042 -1.062) 11.359 3.518 ( 2.252 7.977 4.113) 9.253 3.636 ( 1.041 -3.518 2.870) 4.657 3.663 ( -1.498 3.207 -0.184) 3.544 3.692 ( -0.815 0.524 0.718) 1.206 3.933 ( 8.170 1.148 -0.289) 8.255 3.960 ( 7.427 -1.379 -0.571) 7.576 4.441 ( -6.497 2.525 1.620) 7.156 4.497 ( -8.565 -2.887 0.541) 9.054 4.962 ( 0.226 5.984 -3.338) 6.856 5.060 ( 2.091 -3.411 -7.502) 8.502 5.364 ( -6.854 4.792 -4.718) 9.603 5.435 ( -5.988 -2.006 -7.042) 9.459 5.827 ( 4.441 3.493 2.915) 6.358 5.863 ( 3.808 0.341 1.888) 4.264 6.057 ( -1.733 0.835 3.601) 4.083 6.090 ( -3.512 -2.043 2.607) 4.828 6.462 ( 3.536 2.294 5.216) 6.706 6.487 ( 2.147 0.976 4.233) 4.845 6.569 ( -0.976 6.088 5.001) 7.939 6.716 ( -2.128 -6.004 1.143) 6.471 7.038 ( 4.546 5.070 -1.896) 7.069 7.088 ( 5.116 1.856 -3.798) 6.636 7.114 ( 2.310 6.782 -1.589) 7.339 7.197 ( 2.284 -0.741 -2.964) 3.815 8.495 ( 14.485 1.092 -0.646) 14.541 8.523 ( 13.692 -1.609 -1.671) 13.887 9.158 ( -5.883 3.513 1.575) 7.031 9.215 ( -8.699 -1.777 -0.262) 8.883 9.445 ( 11.583 3.632 1.688) 12.256 9.547 ( 10.457 -5.805 -1.753) 12.088 10.012 ( -6.565 9.710 2.703) 12.029 10.160 ( -7.600 -4.842 -2.555) 9.367 11.678 ( 2.010 2.773 1.006) 3.569 11.725 ( 2.861 -1.686 -0.787) 3.412 11.854 ( -3.761 3.801 1.408) 5.530 11.953 ( -4.480 -5.891 -2.052) 7.680 14.740 ( 13.976 0.504 -0.272) 13.988 14.757 ( 13.995 -1.194 -0.889) 14.074 15.165 ( -2.819 2.263 1.610) 3.958 15.194 ( -3.286 -0.647 0.608) 3.404 16.589 ( 15.831 3.016 0.332) 16.119 16.650 ( 14.459 -3.109 -1.793) 14.898 17.705 ( -15.945 -1.117 0.359) 15.988 17.707 ( -15.407 -1.251 0.311) 15.461 ======================= Grid point 202 (80/120) ======================= q-point: ( 0.44 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 0.827 3.520 0.462) 3.645 2.838 ( -1.258 1.327 -1.539) 2.390 2.906 ( -4.513 -2.280 1.360) 5.236 2.960 ( -7.310 -5.231 -0.898) 9.033 3.568 ( 2.818 6.630 3.261) 7.908 3.621 ( -2.614 5.006 1.780) 5.921 3.659 ( 1.177 -2.439 1.935) 3.328 3.678 ( -0.829 -0.867 0.933) 1.520 4.097 ( 8.772 1.596 0.251) 8.919 4.115 ( 8.811 -0.065 -0.065) 8.811 4.279 ( -9.132 1.281 1.536) 9.348 4.310 ( -10.156 -1.521 0.750) 10.297 5.045 ( 7.226 6.456 -3.701) 10.373 5.150 ( 5.521 -2.489 -7.639) 9.748 5.213 ( -7.536 3.800 -4.041) 9.357 5.301 ( -7.686 -3.511 -7.180) 11.088 5.910 ( 4.116 2.460 1.221) 4.948 5.932 ( 2.952 1.031 0.464) 3.161 6.009 ( -2.902 -1.556 1.654) 3.685 6.020 ( -3.339 -1.927 1.622) 4.182 6.504 ( 1.569 4.314 7.037) 8.402 6.526 ( -0.223 6.557 6.942) 9.552 6.579 ( 3.274 -2.066 5.177) 6.464 6.655 ( -3.891 -4.968 3.985) 7.463 7.106 ( 2.527 7.359 -2.780) 8.263 7.130 ( 0.068 7.996 -2.788) 8.468 7.183 ( 3.389 0.274 -4.037) 5.278 7.218 ( -0.290 -0.459 -3.839) 3.877 8.766 ( 13.353 0.570 -0.231) 13.367 8.784 ( 13.257 -1.222 -0.960) 13.347 8.996 ( -10.503 1.157 0.490) 10.578 9.022 ( -11.388 -1.510 -0.460) 11.497 9.665 ( 11.132 5.790 2.127) 12.727 9.771 ( 12.014 -4.535 -1.643) 12.946 9.861 ( -9.162 7.829 2.469) 12.302 9.988 ( -10.326 -4.593 -2.041) 11.485 11.723 ( 2.673 3.525 1.059) 4.549 11.774 ( -0.923 2.599 -0.018) 2.758 11.798 ( 1.195 -1.796 0.070) 2.158 11.868 ( -4.295 -4.583 -1.596) 6.480 14.961 ( 9.038 1.021 -0.010) 9.096 14.978 ( 9.103 -0.695 -0.635) 9.152 15.093 ( -5.018 1.580 0.713) 5.309 15.114 ( -5.352 -0.506 -0.049) 5.376 16.948 ( 20.885 1.164 0.502) 20.924 16.984 ( 19.686 -2.414 -0.768) 19.849 17.352 ( -20.448 -0.244 0.467) 20.455 17.368 ( -19.560 -1.800 -0.090) 19.643 ======================= Grid point 270 (81/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.000 0.000 -13.728) 13.728 0.881 ( 0.000 0.000 13.728) 13.728 1.459 ( 0.000 0.000 -29.552) 29.552 1.459 ( 0.000 0.000 29.552) 29.552 2.575 ( 0.000 0.000 -45.203) 45.203 2.575 ( 0.000 0.000 45.203) 45.203 3.184 ( 0.000 0.000 -8.634) 8.634 3.184 ( 0.000 0.000 8.634) 8.634 3.367 ( 0.000 0.000 -7.344) 7.344 3.367 ( 0.000 0.000 7.344) 7.344 3.501 ( 0.000 0.000 -0.700) 0.700 3.501 ( 0.000 0.000 0.700) 0.700 3.833 ( 0.000 0.000 -2.996) 2.996 3.833 ( 0.000 0.000 2.996) 2.996 3.913 ( 0.000 0.000 -11.429) 11.429 3.913 ( 0.000 0.000 11.429) 11.429 4.365 ( 0.000 0.000 -8.511) 8.511 4.365 ( 0.000 0.000 8.511) 8.511 5.383 ( 0.000 0.000 -6.912) 6.912 5.383 ( 0.000 0.000 6.912) 6.912 5.565 ( 0.000 0.000 -3.665) 3.665 5.565 ( 0.000 0.000 3.665) 3.665 6.586 ( 0.000 0.000 -0.126) 0.126 6.586 ( 0.000 0.000 0.126) 0.126 6.771 ( 0.000 0.000 -20.098) 20.098 6.771 ( 0.000 0.000 20.098) 20.098 7.112 ( 0.000 0.000 -13.273) 13.273 7.112 ( 0.000 0.000 13.273) 13.273 7.269 ( 0.000 0.000 -1.339) 1.339 7.269 ( 0.000 0.000 1.339) 1.339 7.735 ( 0.000 0.000 -0.619) 0.619 7.735 ( 0.000 0.000 0.619) 0.619 8.696 ( 0.000 0.000 -10.182) 10.182 8.696 ( 0.000 0.000 10.182) 10.182 11.346 ( 0.000 0.000 -18.879) 18.879 11.346 ( 0.000 0.000 18.879) 18.879 12.910 ( 0.000 0.000 -0.407) 0.407 12.910 ( 0.000 0.000 0.407) 0.407 13.277 ( 0.000 0.000 -12.605) 12.605 13.277 ( 0.000 0.000 12.605) 12.605 13.280 ( 0.000 0.000 -0.382) 0.382 13.280 ( 0.000 0.000 0.382) 0.382 14.242 ( 0.000 0.000 -6.134) 6.134 14.242 ( 0.000 0.000 6.134) 6.134 14.690 ( 0.000 0.000 -3.624) 3.624 14.690 ( 0.000 0.000 3.624) 3.624 18.954 ( 0.000 0.000 -1.542) 1.542 18.954 ( 0.000 0.000 1.542) 1.542 ======================= Grid point 272 (82/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 33.901 0.000 -11.152) 35.688 1.292 ( 33.901 0.000 11.152) 35.688 1.546 ( 8.830 0.000 -27.166) 28.565 1.546 ( 8.830 0.000 27.166) 28.565 2.563 ( 0.211 0.000 -37.706) 37.707 2.563 ( 0.211 0.000 37.706) 37.707 3.251 ( 5.373 0.000 -11.065) 12.301 3.251 ( 5.373 0.000 11.065) 12.301 3.357 ( -1.883 0.000 -5.747) 6.047 3.357 ( -1.883 0.000 5.747) 6.047 3.476 ( -1.762 0.000 -3.133) 3.594 3.476 ( -1.762 0.000 3.133) 3.594 3.823 ( -1.006 0.000 -3.135) 3.293 3.823 ( -1.006 0.000 3.135) 3.293 3.914 ( 0.626 0.000 -12.416) 12.431 3.914 ( 0.626 0.000 12.416) 12.431 4.372 ( 0.414 0.000 -8.679) 8.689 4.372 ( 0.414 0.000 8.679) 8.689 5.391 ( -0.330 0.000 -3.180) 3.197 5.391 ( -0.330 0.000 3.180) 3.197 5.667 ( 10.484 0.000 -9.465) 14.125 5.667 ( 10.484 0.000 9.465) 14.125 6.609 ( 2.355 0.000 -0.329) 2.378 6.609 ( 2.355 0.000 0.329) 2.378 6.730 ( -3.320 0.000 -17.505) 17.818 6.730 ( -3.320 0.000 17.505) 17.818 7.129 ( 0.298 0.000 -14.163) 14.166 7.129 ( 0.298 0.000 14.163) 14.166 7.249 ( -2.044 0.000 -1.298) 2.421 7.249 ( -2.044 0.000 1.298) 2.421 7.839 ( 8.795 0.000 -11.045) 14.119 7.839 ( 8.795 0.000 11.045) 14.119 8.744 ( 5.909 0.000 -8.659) 10.483 8.744 ( 5.909 0.000 8.659) 10.483 11.273 ( -7.787 0.000 -16.786) 18.504 11.273 ( -7.787 0.000 16.786) 18.504 12.921 ( 1.182 0.000 -0.400) 1.247 12.921 ( 1.182 0.000 0.400) 1.247 13.207 ( -9.996 0.000 -16.163) 19.005 13.207 ( -9.996 0.000 16.163) 19.005 13.271 ( -0.957 0.000 -0.376) 1.029 13.271 ( -0.957 0.000 0.376) 1.029 13.542 ( -34.093 0.000 -14.970) 37.234 13.542 ( -34.093 0.000 14.970) 37.234 15.460 ( 45.163 0.000 -17.558) 48.456 15.460 ( 45.163 0.000 17.558) 48.456 18.829 ( -11.931 0.000 -0.681) 11.950 18.829 ( -11.931 0.000 0.681) 11.950 ======================= Grid point 274 (83/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 14.537 0.000 -21.860) 26.252 1.776 ( 14.537 0.000 21.860) 26.252 1.885 ( 22.554 0.000 -19.467) 29.794 1.885 ( 22.554 0.000 19.467) 29.794 2.679 ( 14.586 0.000 -16.821) 22.264 2.679 ( 14.586 0.000 16.821) 22.264 3.256 ( -8.587 0.000 -4.455) 9.674 3.256 ( -8.587 0.000 4.455) 9.674 3.332 ( 2.754 0.000 -14.729) 14.984 3.332 ( 2.754 0.000 14.729) 14.984 3.474 ( 1.600 0.000 -6.761) 6.948 3.474 ( 1.600 0.000 6.761) 6.948 3.795 ( -1.905 0.000 -3.484) 3.971 3.795 ( -1.905 0.000 3.484) 3.971 3.959 ( 4.054 0.000 -13.919) 14.498 3.959 ( 4.054 0.000 13.919) 14.498 4.377 ( 0.341 0.000 -5.388) 5.399 4.377 ( 0.341 0.000 5.388) 5.399 5.345 ( -4.888 0.000 -5.355) 7.250 5.345 ( -4.888 0.000 5.355) 7.250 5.923 ( 14.874 0.000 -8.873) 17.320 5.923 ( 14.874 0.000 8.873) 17.320 6.674 ( 4.279 0.000 -0.573) 4.318 6.674 ( 4.279 0.000 0.573) 4.318 6.680 ( -1.182 0.000 -13.947) 13.997 6.680 ( -1.182 0.000 13.947) 13.997 7.103 ( -2.574 0.000 -15.221) 15.437 7.103 ( -2.574 0.000 15.221) 15.437 7.193 ( -3.841 0.000 -1.194) 4.022 7.193 ( -3.841 0.000 1.194) 4.022 7.950 ( 0.596 0.000 -18.622) 18.631 7.950 ( 0.596 0.000 18.622) 18.631 8.964 ( 17.219 0.000 -7.174) 18.654 8.964 ( 17.219 0.000 7.174) 18.654 11.045 ( -15.743 0.000 -9.809) 18.549 11.045 ( -15.743 0.000 9.809) 18.549 12.831 ( -19.729 0.000 -20.371) 28.359 12.831 ( -19.729 0.000 20.371) 28.359 12.954 ( 2.137 0.000 -0.379) 2.170 12.954 ( 2.137 0.000 0.379) 2.170 13.234 ( -7.156 0.000 -7.591) 10.433 13.234 ( -7.156 0.000 7.591) 10.433 13.244 ( -1.794 0.000 -0.360) 1.830 13.244 ( -1.794 0.000 0.360) 1.830 16.232 ( 35.782 0.000 -18.781) 40.411 16.232 ( 35.782 0.000 18.781) 40.411 18.547 ( -16.632 0.000 -2.058) 16.759 18.547 ( -16.632 0.000 2.058) 16.759 ======================= Grid point 276 (84/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 16.711 0.000 -16.187) 23.265 2.080 ( 16.711 0.000 16.187) 23.265 2.122 ( 5.526 0.000 -23.459) 24.102 2.122 ( 5.526 0.000 23.459) 24.102 3.029 ( 13.613 0.000 -18.411) 22.897 3.029 ( 13.613 0.000 18.411) 22.897 3.048 ( -12.650 0.000 -5.642) 13.851 3.048 ( -12.650 0.000 5.642) 13.851 3.432 ( 12.448 0.000 -21.719) 25.033 3.432 ( 12.448 0.000 21.719) 25.033 3.520 ( 2.821 0.000 -6.316) 6.917 3.520 ( 2.821 0.000 6.316) 6.917 3.752 ( -2.471 0.000 -3.760) 4.499 3.752 ( -2.471 0.000 3.760) 4.499 4.037 ( 2.740 0.000 -11.977) 12.286 4.037 ( 2.740 0.000 11.977) 12.286 4.396 ( 1.900 0.000 -1.558) 2.457 4.396 ( 1.900 0.000 1.558) 2.457 5.197 ( -10.263 0.000 -10.605) 14.758 5.197 ( -10.263 0.000 10.605) 14.758 6.195 ( 12.684 0.000 -4.545) 13.474 6.195 ( 12.684 0.000 4.545) 13.474 6.688 ( 1.133 0.000 -9.441) 9.509 6.688 ( 1.133 0.000 9.441) 9.509 6.769 ( 5.540 0.000 -0.750) 5.591 6.769 ( 5.540 0.000 0.750) 5.591 7.067 ( 0.364 0.000 -14.790) 14.795 7.067 ( 0.364 0.000 14.790) 14.795 7.105 ( -5.191 0.000 -1.067) 5.299 7.105 ( -5.191 0.000 1.067) 5.299 7.862 ( -8.729 0.000 -19.331) 21.211 7.862 ( -8.729 0.000 19.331) 21.211 9.359 ( 22.588 0.000 -5.762) 23.312 9.359 ( 22.588 0.000 5.762) 23.312 10.694 ( -20.225 0.000 -3.168) 20.472 10.694 ( -20.225 0.000 3.168) 20.472 12.578 ( -7.574 0.000 -11.285) 13.591 12.578 ( -7.574 0.000 11.285) 13.591 13.000 ( 2.603 0.000 -0.337) 2.625 13.000 ( 2.603 0.000 0.337) 2.625 13.115 ( -5.434 0.000 -5.295) 7.587 13.115 ( -5.434 0.000 5.295) 7.587 13.204 ( -2.303 0.000 -0.325) 2.326 13.204 ( -2.303 0.000 0.325) 2.326 16.851 ( 29.379 0.000 -13.655) 32.397 16.851 ( 29.379 0.000 13.655) 32.397 18.206 ( -18.944 0.000 -1.128) 18.977 18.206 ( -18.944 0.000 1.128) 18.977 ======================= Grid point 278 (85/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 1.358 0.000 -9.313) 9.412 2.181 ( 1.358 0.000 9.313) 9.412 2.388 ( 13.897 0.000 -9.834) 17.025 2.388 ( 13.897 0.000 9.834) 17.025 2.794 ( -12.445 0.000 -6.334) 13.964 2.794 ( -12.445 0.000 6.334) 13.964 3.119 ( 0.331 0.000 -6.175) 6.183 3.119 ( 0.331 0.000 6.175) 6.183 3.569 ( 1.895 0.000 -3.428) 3.916 3.569 ( 1.895 0.000 3.428) 3.916 3.708 ( -1.716 0.000 -2.515) 3.045 3.708 ( -1.716 0.000 2.515) 3.045 3.785 ( 18.304 0.000 -12.703) 22.280 3.785 ( 18.304 0.000 12.703) 22.280 4.018 ( -5.754 0.000 -8.598) 10.346 4.018 ( -5.754 0.000 8.598) 10.346 4.444 ( 2.281 0.000 -3.847) 4.472 4.444 ( 2.281 0.000 3.847) 4.472 5.001 ( -7.712 0.000 -7.555) 10.796 5.001 ( -7.712 0.000 7.555) 10.796 6.382 ( 6.154 0.000 -1.217) 6.273 6.382 ( 6.154 0.000 1.217) 6.273 6.677 ( -2.010 0.000 -4.557) 4.981 6.677 ( -2.010 0.000 4.557) 4.981 6.881 ( 6.093 0.000 -0.865) 6.154 6.881 ( 6.093 0.000 0.865) 6.154 6.998 ( -5.963 0.000 -0.957) 6.040 6.998 ( -5.963 0.000 0.957) 6.040 7.147 ( 5.957 0.000 -9.724) 11.404 7.147 ( 5.957 0.000 9.724) 11.404 7.675 ( -8.252 0.000 -12.002) 14.565 7.675 ( -8.252 0.000 12.002) 14.565 9.784 ( 20.195 0.000 -2.638) 20.367 9.784 ( 20.195 0.000 2.638) 20.367 10.301 ( -19.261 0.000 -1.817) 19.347 10.301 ( -19.261 0.000 1.817) 19.347 12.499 ( -1.605 0.000 -3.288) 3.659 12.499 ( -1.605 0.000 3.288) 3.659 13.038 ( -2.295 0.000 -2.062) 3.085 13.038 ( -2.295 0.000 2.062) 3.085 13.046 ( 1.739 0.000 -0.197) 1.751 13.046 ( 1.739 0.000 0.197) 1.751 13.163 ( -1.621 0.000 -0.193) 1.632 13.163 ( -1.621 0.000 0.193) 1.632 17.370 ( 25.108 0.000 -8.060) 26.370 17.370 ( 25.108 0.000 8.060) 26.370 17.819 ( -21.678 0.000 -3.570) 21.970 17.819 ( -21.678 0.000 3.570) 21.970 ======================= Grid point 288 (86/120) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.000 13.002 -10.326) 16.604 1.020 ( 0.000 13.002 10.326) 16.604 1.675 ( 0.000 17.863 -26.044) 31.581 1.675 ( 0.000 17.863 26.044) 31.581 2.743 ( 0.000 16.399 -33.944) 37.698 2.743 ( 0.000 16.399 33.944) 37.698 3.220 ( 0.000 4.097 -10.667) 11.426 3.220 ( 0.000 4.097 10.667) 11.426 3.514 ( 0.000 13.376 -6.181) 14.736 3.514 ( 0.000 13.376 6.181) 14.736 3.650 ( 0.000 11.097 -2.091) 11.292 3.650 ( 0.000 11.097 2.091) 11.292 3.868 ( 0.000 5.510 -5.776) 7.983 3.868 ( 0.000 5.510 5.776) 7.983 4.037 ( 0.000 12.287 -2.327) 12.505 4.037 ( 0.000 12.287 2.327) 12.505 4.340 ( 0.000 -1.535 -8.546) 8.683 4.340 ( 0.000 -1.535 8.546) 8.683 5.376 ( 0.000 -0.580 -7.172) 7.196 5.376 ( 0.000 -0.580 7.172) 7.196 5.542 ( 0.000 -1.724 -1.090) 2.040 5.542 ( 0.000 -1.724 1.090) 2.040 6.585 ( 0.000 -6.610 -7.846) 10.259 6.585 ( 0.000 -6.610 7.846) 10.259 6.756 ( 0.000 9.539 -5.361) 10.942 6.756 ( 0.000 9.539 5.361) 10.942 7.085 ( 0.000 -2.168 -13.681) 13.852 7.085 ( 0.000 -2.168 13.681) 13.852 7.558 ( 0.000 16.563 -6.046) 17.632 7.558 ( 0.000 16.563 6.046) 17.632 7.777 ( 0.000 8.576 -3.444) 9.242 7.777 ( 0.000 8.576 3.444) 9.242 8.668 ( 0.000 -2.665 -9.724) 10.083 8.668 ( 0.000 -2.665 9.724) 10.083 11.310 ( 0.000 -4.164 -16.397) 16.918 11.310 ( 0.000 -4.164 16.397) 16.918 12.208 ( 0.000 -39.152 -17.489) 42.881 12.208 ( 0.000 -39.152 17.489) 42.881 13.419 ( 0.000 3.269 -11.656) 12.106 13.419 ( 0.000 3.269 11.656) 12.106 13.428 ( 0.000 8.085 -2.577) 8.486 13.428 ( 0.000 8.085 2.577) 8.486 14.413 ( 0.000 4.739 -5.362) 7.157 14.413 ( 0.000 4.739 5.362) 7.157 14.972 ( 0.000 27.883 -17.709) 33.031 14.972 ( 0.000 27.883 17.709) 33.031 18.882 ( 0.000 -6.429 -0.880) 6.489 18.882 ( 0.000 -6.429 0.880) 6.489 ======================= Grid point 290 (87/120) ======================= q-point: ( 0.11 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 29.352 8.053 -9.141) 31.779 1.366 ( 29.352 8.053 9.141) 31.779 1.760 ( 8.791 17.173 -23.365) 30.300 1.760 ( 8.791 17.173 23.365) 30.300 2.720 ( -0.810 15.234 -27.341) 31.309 2.720 ( -0.810 15.234 27.341) 31.309 3.271 ( 3.790 3.677 -11.568) 12.716 3.271 ( 3.790 3.677 11.568) 12.716 3.515 ( -1.157 13.244 -4.664) 14.089 3.515 ( -1.157 13.244 4.664) 14.089 3.623 ( -1.915 11.920 -3.738) 12.639 3.623 ( -1.915 11.920 3.738) 12.639 3.871 ( 1.068 5.490 -6.910) 8.890 3.871 ( 1.068 5.490 6.910) 8.890 4.014 ( -1.803 10.437 -3.383) 11.119 4.014 ( -1.803 10.437 3.383) 11.119 4.368 ( 1.993 0.527 -7.747) 8.017 4.368 ( 1.993 0.527 7.747) 8.017 5.384 ( -0.381 -0.637 -3.407) 3.487 5.384 ( -0.381 -0.637 3.407) 3.487 5.629 ( 9.319 -2.983 -8.053) 12.673 5.629 ( 9.319 -2.983 8.053) 12.673 6.574 ( -1.068 -7.056 -8.548) 11.136 6.574 ( -1.068 -7.056 8.548) 11.136 6.770 ( 1.546 10.758 -4.333) 11.700 6.770 ( 1.546 10.758 4.333) 11.700 7.091 ( -0.184 -2.434 -14.227) 14.435 7.091 ( -0.184 -2.434 14.227) 14.435 7.502 ( -4.003 16.245 -4.118) 17.230 7.502 ( -4.003 16.245 4.118) 17.230 7.883 ( 7.678 6.337 -14.511) 17.598 7.883 ( 7.678 6.337 14.511) 17.598 8.724 ( 6.707 -1.800 -8.338) 10.851 8.724 ( 6.707 -1.800 8.338) 10.851 11.229 ( -8.488 -4.901 -13.721) 16.862 11.229 ( -8.488 -4.901 13.721) 16.862 12.206 ( -0.043 -35.931 -17.271) 39.866 12.206 ( -0.043 -35.931 17.271) 39.866 13.340 ( -8.736 -4.876 -13.092) 16.477 13.340 ( -8.736 -4.876 13.092) 16.477 13.424 ( -0.283 12.982 -0.294) 12.988 13.424 ( -0.283 12.982 0.294) 12.988 13.980 ( -24.127 28.881 -2.024) 37.688 13.980 ( -24.127 28.881 2.024) 37.688 15.522 ( 37.203 6.447 -21.013) 43.211 15.522 ( 37.203 6.447 21.013) 43.211 18.772 ( -10.673 -5.170 -2.004) 12.028 18.772 ( -10.673 -5.170 2.004) 12.028 ======================= Grid point 292 (88/120) ======================= q-point: ( 0.22 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 20.070 7.804 -6.722) 22.558 1.881 ( 20.070 7.804 6.722) 22.558 2.009 ( 16.102 12.072 -7.580) 21.505 2.009 ( 16.102 12.072 7.580) 21.505 2.794 ( 10.443 11.376 -10.612) 18.737 2.794 ( 10.443 11.376 10.612) 18.737 3.330 ( 2.639 3.052 -13.363) 13.959 3.330 ( 2.639 3.052 13.363) 13.959 3.416 ( -8.523 13.383 -4.383) 16.460 3.416 ( -8.523 13.383 4.383) 16.460 3.609 ( -0.161 9.741 -4.669) 10.803 3.609 ( -0.161 9.741 4.669) 10.803 3.896 ( -0.543 9.549 -1.680) 9.711 3.896 ( -0.543 9.549 1.680) 9.711 4.021 ( 4.344 7.441 -10.284) 13.416 4.021 ( 4.344 7.441 10.284) 13.416 4.397 ( 1.088 2.694 -4.274) 5.168 4.397 ( 1.088 2.694 4.274) 5.168 5.337 ( -4.720 -0.570 -5.280) 7.105 5.337 ( -4.720 -0.570 5.280) 7.105 5.869 ( 14.451 -4.446 -7.343) 16.808 5.869 ( 14.451 -4.446 7.343) 16.808 6.561 ( 0.296 -6.874 -8.900) 11.250 6.561 ( 0.296 -6.874 8.900) 11.250 6.816 ( 3.218 11.251 -2.899) 12.056 6.816 ( 3.218 11.251 2.899) 12.056 7.056 ( -3.352 -2.561 -14.331) 14.939 7.056 ( -3.352 -2.561 14.331) 14.939 7.432 ( -3.321 17.292 -3.449) 17.942 7.432 ( -3.321 17.292 3.449) 17.942 7.960 ( -0.912 1.597 -19.515) 19.602 7.960 ( -0.912 1.597 19.515) 19.602 8.959 ( 17.628 -0.338 -7.379) 19.113 8.959 ( 17.628 -0.338 7.379) 19.113 10.993 ( -15.686 -5.276 -7.207) 18.051 10.993 ( -15.686 -5.276 7.207) 18.051 12.218 ( 1.526 -27.981 -14.609) 31.602 12.218 ( 1.526 -27.981 14.609) 31.602 13.108 ( -13.502 -6.542 -9.099) 17.547 13.108 ( -13.502 -6.542 9.099) 17.547 13.417 ( -0.417 14.840 -0.135) 14.846 13.417 ( -0.417 14.840 0.135) 14.846 13.670 ( -9.781 33.742 -4.335) 35.397 13.670 ( -9.781 33.742 4.335) 35.397 16.205 ( 33.549 -2.349 -18.910) 38.583 16.205 ( 33.549 -2.349 18.910) 38.583 18.511 ( -15.837 -3.354 -2.393) 16.364 18.511 ( -15.837 -3.354 2.393) 16.364 ======================= Grid point 294 (89/120) ======================= q-point: ( 0.33 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 8.311 6.729 -18.889) 21.706 2.160 ( 8.311 6.729 18.889) 21.706 2.273 ( 14.181 13.467 -14.516) 24.355 2.273 ( 14.181 13.467 14.516) 24.355 3.032 ( 6.663 3.907 -14.059) 16.041 3.032 ( 6.663 3.907 14.059) 16.041 3.223 ( -9.697 11.894 -5.303) 16.236 3.223 ( -9.697 11.894 5.303) 16.236 3.448 ( 12.033 5.179 -15.960) 20.648 3.448 ( 12.033 5.179 15.960) 20.648 3.616 ( 1.550 6.098 -4.277) 7.608 3.616 ( 1.550 6.098 4.277) 7.608 3.859 ( -2.005 9.742 -2.966) 10.379 3.859 ( -2.005 9.742 2.966) 10.379 4.125 ( 3.969 9.559 -9.811) 14.261 4.125 ( 3.969 9.559 9.811) 14.261 4.423 ( 2.099 3.267 -1.046) 4.022 4.423 ( 2.099 3.267 1.046) 4.022 5.199 ( -9.421 0.455 -10.312) 13.975 5.199 ( -9.421 0.455 10.312) 13.975 6.138 ( 12.733 -4.644 -4.424) 14.258 6.138 ( 12.733 -4.644 4.424) 14.258 6.598 ( 3.225 -5.804 -7.512) 10.026 6.598 ( 3.225 -5.804 7.512) 10.026 6.887 ( 3.937 9.327 -2.150) 10.349 6.887 ( 3.937 9.327 2.150) 10.349 6.982 ( -3.450 -2.745 -11.666) 12.471 6.982 ( -3.450 -2.745 11.666) 12.471 7.374 ( -2.577 18.364 -4.969) 19.199 7.374 ( -2.577 18.364 4.969) 19.199 7.861 ( -8.381 0.408 -19.180) 20.935 7.861 ( -8.381 0.408 19.180) 20.935 9.353 ( 22.292 -0.459 -6.183) 23.138 9.353 ( 22.292 -0.459 6.183) 23.138 10.651 ( -19.478 -4.112 -2.877) 20.114 10.651 ( -19.478 -4.112 2.877) 20.114 12.266 ( 3.391 -19.398 -9.556) 21.889 12.266 ( 3.391 -19.398 9.556) 21.889 12.878 ( -10.091 -8.684 -5.201) 14.293 12.878 ( -10.091 -8.684 5.201) 14.293 13.410 ( -0.294 17.471 -0.085) 17.474 13.410 ( -0.294 17.471 0.085) 17.474 13.540 ( -4.613 28.996 -3.719) 29.595 13.540 ( -4.613 28.996 3.719) 29.595 16.805 ( 29.361 -4.184 -13.334) 32.517 16.805 ( 29.361 -4.184 13.334) 32.517 18.179 ( -18.830 -2.600 -1.070) 19.038 18.179 ( -18.830 -2.600 1.070) 19.038 ======================= Grid point 296 (90/120) ======================= q-point: ( 0.44 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 1.393 5.430 -8.317) 10.030 2.235 ( 1.393 5.430 8.317) 10.030 2.575 ( 15.569 15.778 -10.013) 24.323 2.575 ( 15.569 15.778 10.013) 24.323 2.906 ( -13.364 10.287 -6.516) 18.080 2.906 ( -13.364 10.287 6.516) 18.080 3.152 ( -0.521 3.496 -4.259) 5.534 3.152 ( -0.521 3.496 4.259) 5.534 3.607 ( 1.737 4.699 -1.841) 5.337 3.607 ( 1.737 4.699 1.841) 5.337 3.728 ( 4.384 0.981 -3.486) 5.686 3.728 ( 4.384 0.981 3.486) 5.686 3.901 ( 9.903 10.024 -4.446) 14.776 3.901 ( 9.904 10.024 4.446) 14.776 4.112 ( -5.615 9.185 -5.246) 11.975 4.112 ( -5.615 9.185 5.246) 11.975 4.480 ( 2.867 4.794 -4.295) 7.046 4.480 ( 2.867 4.794 4.295) 7.046 5.022 ( -6.821 2.411 -7.101) 10.137 5.022 ( -6.821 2.411 7.101) 10.137 6.323 ( 5.708 -4.604 -1.044) 7.408 6.323 ( 5.708 -4.604 1.044) 7.408 6.639 ( 0.315 -2.764 -3.373) 4.373 6.639 ( 0.315 -2.764 3.373) 4.373 6.921 ( -0.120 -1.687 -4.548) 4.852 6.921 ( -0.120 -1.687 4.548) 4.852 6.992 ( 3.339 4.692 -2.440) 6.255 6.992 ( 3.339 4.692 2.440) 6.255 7.341 ( -0.777 16.075 -4.907) 16.825 7.341 ( -0.777 16.075 4.907) 16.825 7.697 ( -6.523 3.048 -11.014) 13.159 7.697 ( -6.523 3.048 11.014) 13.159 9.772 ( 19.851 -1.182 -3.060) 20.120 9.772 ( 19.851 -1.182 3.060) 20.120 10.272 ( -18.739 -2.785 -1.968) 19.047 10.272 ( -18.739 -2.785 1.968) 19.047 12.331 ( 2.515 -12.576 -3.646) 13.334 12.331 ( 2.515 -12.576 3.646) 13.334 12.733 ( -4.501 -13.448 -2.153) 14.344 12.733 ( -4.501 -13.448 2.153) 14.344 13.407 ( -0.024 20.491 -0.133) 20.492 13.407 ( -0.024 20.491 0.133) 20.492 13.481 ( -1.593 24.932 -1.408) 25.022 13.481 ( -1.593 24.932 1.408) 25.022 17.331 ( 25.586 -3.694 -7.793) 27.001 17.331 ( 25.586 -3.694 7.793) 27.001 17.789 ( -21.996 -2.822 -3.378) 22.432 17.789 ( -21.996 -2.822 3.378) 22.432 ======================= Grid point 306 (91/120) ======================= q-point: ( 0.00 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.000 19.206 -4.971) 19.839 1.354 ( 0.000 19.206 4.971) 19.839 2.052 ( 0.000 18.710 -21.964) 28.853 2.052 ( 0.000 18.710 21.964) 28.853 3.103 ( 0.000 13.226 -2.279) 13.421 3.103 ( 0.000 13.226 2.279) 13.421 3.429 ( 0.000 19.918 -21.175) 29.070 3.429 ( 0.000 19.918 21.175) 29.070 3.704 ( 0.000 2.468 -2.565) 3.559 3.704 ( 0.000 2.468 2.565) 3.559 3.945 ( 0.000 22.515 -4.874) 23.037 3.945 ( 0.000 22.515 4.874) 23.037 4.082 ( 0.000 9.793 -2.212) 10.040 4.082 ( 0.000 9.793 2.212) 10.040 4.337 ( 0.000 10.197 -3.565) 10.802 4.337 ( 0.000 10.197 3.565) 10.802 4.422 ( 0.000 19.374 -4.022) 19.787 4.422 ( 0.000 19.374 4.022) 19.787 5.360 ( 0.000 -1.090 -7.659) 7.736 5.360 ( 0.000 -1.090 7.659) 7.736 5.527 ( 0.000 0.915 -3.486) 3.604 5.527 ( 0.000 0.915 3.486) 3.604 6.434 ( 0.000 -7.379 -8.347) 11.141 6.434 ( 0.000 -7.379 8.347) 11.141 6.999 ( 0.000 1.089 -12.458) 12.505 6.999 ( 0.000 1.089 12.458) 12.505 7.084 ( 0.000 12.933 -2.120) 13.106 7.084 ( 0.000 12.933 2.120) 13.106 7.661 ( 0.000 0.639 -1.711) 1.827 7.661 ( 0.000 0.639 1.711) 1.827 8.204 ( 0.000 25.852 -17.356) 31.137 8.204 ( 0.000 25.852 17.356) 31.137 8.601 ( 0.000 -3.479 -7.791) 8.532 8.601 ( 0.000 -3.479 7.791) 8.532 11.121 ( 0.000 -15.512 -0.878) 15.537 11.121 ( 0.000 -15.512 0.878) 15.537 11.671 ( 0.000 -13.251 -8.012) 15.485 11.671 ( 0.000 -13.251 8.012) 15.485 13.240 ( 0.000 -13.557 -16.530) 21.378 13.240 ( 0.000 -13.557 16.530) 21.378 13.795 ( 0.000 21.312 -1.137) 21.342 13.795 ( 0.000 21.312 1.137) 21.342 14.431 ( 0.000 -0.486 -0.428) 0.648 14.431 ( 0.000 -0.486 0.428) 0.648 15.510 ( 0.000 22.313 -29.906) 37.313 15.510 ( 0.000 22.313 29.906) 37.313 18.729 ( 0.000 -8.179 -3.709) 8.981 18.729 ( 0.000 -8.179 3.709) 8.981 ======================= Grid point 308 (92/120) ======================= q-point: ( 0.11 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 22.341 14.468 -5.925) 27.268 1.600 ( 22.341 14.468 5.925) 27.268 2.118 ( 6.722 17.790 -20.724) 28.127 2.118 ( 6.722 17.790 20.724) 28.127 3.059 ( -2.927 13.654 -2.365) 14.163 3.059 ( -2.927 13.654 2.365) 14.163 3.469 ( 2.734 17.794 -17.611) 25.184 3.469 ( 2.734 17.794 17.611) 25.184 3.683 ( -2.055 2.489 -2.678) 4.194 3.683 ( -2.055 2.489 2.678) 4.194 3.950 ( -1.737 20.089 -2.922) 20.375 3.950 ( -1.737 20.089 2.922) 20.375 4.084 ( 2.415 12.714 -6.401) 14.438 4.084 ( 2.415 12.714 6.401) 14.438 4.278 ( -3.420 14.522 -3.622) 15.353 4.278 ( -3.420 14.522 3.622) 15.353 4.489 ( 3.946 14.810 -2.394) 15.512 4.489 ( 3.946 14.810 2.394) 15.512 5.369 ( -0.110 -0.824 -3.142) 3.250 5.369 ( -0.110 -0.824 3.142) 3.250 5.586 ( 6.935 -0.441 -6.294) 9.376 5.586 ( 6.935 -0.441 6.294) 9.376 6.431 ( -0.170 -6.634 -7.932) 10.342 6.431 ( -0.170 -6.634 7.932) 10.342 6.997 ( -0.553 0.142 -12.753) 12.765 6.997 ( -0.553 0.142 12.753) 12.765 7.101 ( 1.453 13.201 -2.270) 13.474 7.101 ( 1.453 13.201 2.270) 13.474 7.682 ( 2.029 3.239 -3.610) 5.258 7.682 ( 2.029 3.239 3.610) 5.258 8.174 ( -3.352 19.192 -18.952) 27.180 8.174 ( -3.352 19.192 18.952) 27.180 8.695 ( 9.893 0.177 -8.261) 12.890 8.695 ( 9.893 0.177 8.261) 12.890 11.042 ( -7.924 -13.855 -3.597) 16.362 11.042 ( -7.924 -13.855 3.597) 16.362 11.708 ( 3.641 -13.563 -8.753) 16.548 11.708 ( 3.641 -13.563 8.753) 16.548 13.143 ( -9.405 -13.044 -14.624) 21.737 13.143 ( -9.405 -13.044 14.624) 21.737 13.791 ( -0.108 21.308 -0.532) 21.315 13.791 ( -0.108 21.308 0.532) 21.315 14.370 ( -5.645 11.009 -1.292) 12.439 14.370 ( -5.645 11.009 1.292) 12.439 15.708 ( 18.993 11.059 -26.372) 34.329 15.708 ( 18.993 11.059 26.372) 34.329 18.645 ( -8.492 -7.053 -3.684) 11.638 18.645 ( -8.492 -7.053 3.684) 11.638 ======================= Grid point 310 (93/120) ======================= q-point: ( 0.22 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 22.273 9.625 -4.838) 24.741 2.057 ( 22.273 9.625 4.838) 24.741 2.287 ( 10.020 14.629 -14.220) 22.729 2.287 ( 10.020 14.629 14.220) 22.729 3.051 ( 3.035 10.734 -5.319) 12.358 3.051 ( 3.035 10.734 5.319) 12.358 3.500 ( 0.122 13.416 -14.310) 19.616 3.500 ( 0.122 13.416 14.310) 19.616 3.639 ( -1.932 6.362 -2.188) 7.000 3.639 ( -1.932 6.362 2.188) 7.000 3.864 ( -5.735 17.230 -1.815) 18.250 3.864 ( -5.735 17.230 1.815) 18.250 4.127 ( -1.368 11.513 -4.228) 12.341 4.127 ( -1.368 11.513 4.228) 12.341 4.289 ( 6.174 19.037 -8.311) 21.670 4.289 ( 6.174 19.037 8.311) 21.670 4.539 ( 1.563 12.705 -2.268) 13.000 4.539 ( 1.563 12.705 2.268) 13.000 5.334 ( -3.552 0.711 -5.739) 6.787 5.334 ( -3.552 0.711 5.739) 6.787 5.788 ( 13.176 -2.796 -5.260) 14.460 5.788 ( 13.176 -2.796 5.260) 14.460 6.440 ( 1.531 -5.007 -7.258) 8.949 6.440 ( 1.531 -5.007 7.258) 8.949 6.963 ( -3.167 -2.803 -13.508) 14.155 6.963 ( -3.167 -2.803 13.508) 14.155 7.126 ( 0.970 13.944 -1.335) 14.041 7.126 ( 0.970 13.944 1.335) 14.041 7.725 ( 2.065 9.595 -5.118) 11.069 7.725 ( 2.065 9.595 5.118) 11.069 8.075 ( -6.770 11.387 -18.648) 22.875 8.075 ( -6.770 11.387 18.648) 22.875 8.968 ( 17.955 1.927 -8.664) 20.029 8.968 ( 17.955 1.927 8.664) 20.029 10.833 ( -13.535 -10.420 -3.976) 17.538 10.833 ( -13.535 -10.420 3.976) 17.538 11.803 ( 6.181 -13.594 -8.455) 17.161 11.803 ( 6.181 -13.594 8.455) 17.161 12.921 ( -12.823 -11.597 -10.696) 20.330 12.921 ( -12.823 -11.597 10.696) 20.330 13.799 ( 0.955 21.778 -0.185) 21.800 13.799 ( 0.955 21.778 0.185) 21.800 14.242 ( -7.171 22.615 -2.396) 23.845 14.242 ( -7.171 22.615 2.396) 23.845 16.164 ( 27.179 -1.041 -19.530) 33.484 16.164 ( 27.179 -1.041 19.530) 33.484 18.423 ( -14.233 -5.162 -2.821) 15.401 18.423 ( -14.233 -5.162 2.821) 15.401 ======================= Grid point 312 (94/120) ======================= q-point: ( 0.33 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 6.085 10.836 -14.705) 19.253 2.342 ( 6.085 10.836 14.705) 19.253 2.527 ( 16.452 10.159 -11.072) 22.282 2.527 ( 16.452 10.159 11.072) 22.282 3.148 ( 4.607 5.901 -10.379) 12.797 3.148 ( 4.607 5.901 10.379) 12.797 3.447 ( -6.650 9.559 -5.759) 12.991 3.447 ( -6.650 9.559 5.759) 12.991 3.646 ( 3.496 9.763 -4.128) 11.162 3.646 ( 3.496 9.763 4.128) 11.162 3.783 ( -1.673 14.791 -2.694) 15.128 3.783 ( -1.673 14.791 2.694) 15.128 4.086 ( -0.958 11.808 -1.850) 11.990 4.086 ( -0.958 11.808 1.850) 11.990 4.388 ( 0.630 13.867 -6.398) 15.284 4.388 ( 0.630 13.867 6.398) 15.284 4.592 ( 5.513 15.690 -7.198) 18.121 4.592 ( 5.513 15.690 7.198) 18.121 5.236 ( -6.373 4.110 -9.800) 12.391 5.236 ( -6.373 4.110 9.800) 12.391 6.049 ( 13.040 -3.550 -4.049) 14.109 6.049 ( 13.040 -3.550 4.049) 14.109 6.502 ( 4.882 -3.584 -6.649) 8.993 6.502 ( 4.882 -3.584 6.649) 8.993 6.885 ( -4.307 -4.446 -13.075) 14.466 6.885 ( -4.307 -4.446 13.075) 14.466 7.129 ( -0.936 10.142 -0.254) 10.188 7.129 ( -0.936 10.142 0.254) 10.188 7.746 ( -0.245 15.989 -5.682) 16.971 7.746 ( -0.245 15.989 5.682) 16.971 7.935 ( -6.895 9.979 -16.660) 20.607 7.935 ( -6.895 9.979 16.660) 20.607 9.349 ( 21.029 0.291 -7.484) 22.323 9.349 ( 21.029 0.291 7.484) 22.323 10.537 ( -17.085 -7.049 -3.187) 18.755 10.537 ( -17.085 -7.049 3.187) 18.755 11.939 ( 7.869 -12.792 -6.824) 16.496 11.939 ( 7.869 -12.792 6.824) 16.496 12.678 ( -12.142 -11.104 -7.204) 17.961 12.678 ( -12.142 -11.104 7.204) 17.961 13.828 ( 2.088 22.988 -0.280) 23.085 13.828 ( 2.088 22.988 0.280) 23.085 14.109 ( -6.532 26.109 -2.260) 27.009 14.109 ( -6.532 26.109 2.260) 27.009 16.706 ( 28.629 -5.107 -12.811) 31.778 16.706 ( 28.629 -5.107 12.811) 31.778 18.109 ( -18.547 -4.199 -0.954) 19.040 18.109 ( -18.547 -4.199 0.954) 19.040 ======================= Grid point 314 (95/120) ======================= q-point: ( 0.44 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 0.679 9.609 -6.358) 11.542 2.390 ( 0.679 9.609 6.358) 11.542 2.846 ( 15.103 8.446 -9.236) 19.615 2.846 ( 15.103 8.446 9.236) 19.615 3.149 ( -6.103 10.432 -8.038) 14.515 3.149 ( -6.103 10.432 8.038) 14.515 3.292 ( -5.433 11.893 -0.512) 13.085 3.292 ( -5.433 11.893 0.512) 13.085 3.726 ( 3.172 0.390 -1.090) 3.377 3.726 ( 3.172 0.390 1.090) 3.377 3.779 ( -0.310 11.189 -1.480) 11.290 3.779 ( -0.310 11.189 1.480) 11.290 4.145 ( 7.263 13.018 -0.820) 14.929 4.145 ( 7.263 13.018 0.820) 14.929 4.310 ( -7.382 9.716 -3.206) 12.617 4.310 ( -7.382 9.716 3.206) 12.617 4.713 ( 4.908 18.905 -6.024) 20.439 4.713 ( 4.908 18.905 6.024) 20.439 5.118 ( -4.592 7.862 -6.373) 11.114 5.118 ( -4.592 7.862 6.373) 11.114 6.242 ( 5.973 -2.898 -1.577) 6.824 6.242 ( 5.973 -2.898 1.577) 6.824 6.589 ( 2.483 -2.053 -3.521) 4.773 6.589 ( 2.483 -2.053 3.521) 4.773 6.838 ( 0.159 -5.075 -7.820) 9.324 6.838 ( 0.159 -5.075 7.820) 9.324 7.087 ( -2.812 1.962 -1.488) 3.738 7.087 ( -2.812 1.962 1.488) 3.738 7.714 ( -2.106 19.821 -1.717) 20.007 7.714 ( -2.106 19.821 1.717) 20.007 7.852 ( -1.627 13.399 -6.294) 14.893 7.852 ( -1.627 13.399 6.294) 14.893 9.743 ( 18.768 -1.573 -4.375) 19.335 9.743 ( 18.768 -1.573 4.375) 19.335 10.197 ( -17.292 -4.556 -2.538) 18.061 10.197 ( -17.292 -4.556 2.538) 18.061 12.084 ( 5.926 -11.315 -3.703) 13.299 12.084 ( 5.926 -11.315 3.703) 13.299 12.480 ( -7.314 -12.044 -3.667) 14.561 12.480 ( -7.314 -12.044 3.667) 14.561 13.874 ( 2.341 24.594 -0.431) 24.709 13.874 ( 2.341 24.594 0.431) 24.709 14.004 ( -3.940 25.916 -1.185) 26.241 14.004 ( -3.940 25.916 1.185) 26.241 17.237 ( 26.396 -5.256 -7.225) 27.867 17.237 ( 26.396 -5.256 7.225) 27.867 17.714 ( -22.609 -4.354 -2.948) 23.212 17.714 ( -22.609 -4.354 2.948) 23.212 ======================= Grid point 324 (96/120) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 0.000 20.660 -0.544) 20.667 1.759 ( 0.000 20.660 0.544) 20.667 2.420 ( 0.000 18.019 -16.172) 24.212 2.420 ( 0.000 18.019 16.172) 24.212 3.274 ( 0.000 6.549 -3.483) 7.418 3.274 ( 0.000 6.549 3.483) 7.418 3.728 ( 0.000 1.556 -3.868) 4.169 3.728 ( 0.000 1.556 3.868) 4.169 3.888 ( 0.000 19.736 -6.805) 20.876 3.888 ( 0.000 19.736 6.805) 20.876 4.131 ( 0.000 -0.411 -2.561) 2.593 4.131 ( 0.000 -0.411 2.561) 2.593 4.493 ( 0.000 27.843 -7.533) 28.844 4.493 ( 0.000 27.843 7.533) 28.844 4.624 ( 0.000 18.625 -5.576) 19.442 4.624 ( 0.000 18.625 5.576) 19.442 4.914 ( 0.000 26.115 -0.186) 26.116 4.914 ( 0.000 26.115 0.186) 26.116 5.340 ( 0.000 -0.264 -4.688) 4.695 5.340 ( 0.000 -0.264 4.688) 4.695 5.593 ( 0.000 5.687 -4.919) 7.519 5.593 ( 0.000 5.687 4.919) 7.519 6.292 ( 0.000 -6.736 -7.322) 9.949 6.292 ( 0.000 -6.736 7.322) 9.949 6.933 ( 0.000 -4.035 -9.509) 10.330 6.933 ( 0.000 -4.035 9.509) 10.330 7.364 ( 0.000 7.894 -4.093) 8.892 7.364 ( 0.000 7.894 4.093) 8.892 7.727 ( 0.000 8.588 -1.604) 8.736 7.727 ( 0.000 8.588 1.604) 8.736 8.487 ( 0.000 -1.516 -4.352) 4.609 8.487 ( 0.000 -1.516 4.352) 4.609 8.760 ( 0.000 23.366 -16.972) 28.879 8.760 ( 0.000 23.366 16.972) 28.879 10.772 ( 0.000 -17.417 -5.649) 18.310 10.772 ( 0.000 -17.417 5.649) 18.310 11.557 ( 0.000 -1.343 -3.138) 3.414 11.557 ( 0.000 -1.343 3.138) 3.414 12.927 ( 0.000 -16.796 -16.486) 23.535 12.927 ( 0.000 -16.796 16.486) 23.535 14.170 ( 0.000 11.203 -0.980) 11.246 14.170 ( 0.000 11.203 0.980) 11.246 14.481 ( 0.000 9.424 -4.181) 10.309 14.481 ( 0.000 9.424 4.181) 10.309 15.853 ( 0.000 12.641 -27.541) 30.303 15.853 ( 0.000 12.641 27.541) 30.303 18.567 ( 0.000 -7.859 -4.314) 8.966 18.567 ( 0.000 -7.859 4.314) 8.966 ======================= Grid point 326 (97/120) ======================= q-point: ( 0.11 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 15.079 16.774 -2.167) 22.659 1.918 ( 15.079 16.774 2.167) 22.659 2.472 ( 5.142 17.423 -15.870) 24.122 2.472 ( 5.142 17.423 15.870) 24.122 3.241 ( -2.933 6.553 -4.134) 8.284 3.241 ( -2.933 6.553 4.134) 8.284 3.713 ( -1.872 1.394 -4.232) 4.833 3.713 ( -1.872 1.394 4.232) 4.833 3.858 ( -2.279 15.058 -4.944) 16.012 3.858 ( -2.279 15.058 4.944) 16.012 4.151 ( 1.664 5.168 -2.010) 5.789 4.151 ( 1.664 5.168 2.010) 5.789 4.490 ( -1.520 22.975 -4.104) 23.388 4.490 ( -1.520 22.975 4.104) 23.388 4.645 ( 3.006 22.985 -7.989) 24.519 4.645 ( 3.006 22.985 7.989) 24.519 4.897 ( -1.934 22.246 -1.140) 22.359 4.897 ( -1.934 22.246 1.140) 22.359 5.361 ( 2.034 1.044 -1.224) 2.593 5.361 ( 2.034 1.044 1.224) 2.593 5.632 ( 4.497 5.203 -5.447) 8.773 5.632 ( 4.497 5.203 5.447) 8.773 6.310 ( 1.780 -5.396 -6.505) 8.637 6.310 ( 1.780 -5.396 6.505) 8.637 6.928 ( -0.950 -4.135 -10.023) 10.884 6.928 ( -0.950 -4.135 10.023) 10.884 7.368 ( 0.072 7.477 -4.251) 8.601 7.368 ( 0.072 7.477 4.251) 8.601 7.774 ( 4.815 8.718 -0.094) 9.959 7.774 ( 4.815 8.718 0.094) 9.959 8.437 ( -4.381 4.999 -8.981) 11.173 8.437 ( -4.381 4.999 8.981) 11.173 8.849 ( 8.562 16.752 -14.831) 23.956 8.849 ( 8.562 16.752 14.831) 23.956 10.728 ( -4.646 -16.199 -5.026) 17.586 10.728 ( -4.646 -16.199 5.026) 17.586 11.574 ( 1.945 -2.167 -2.915) 4.120 11.574 ( 1.945 -2.167 2.915) 4.120 12.848 ( -7.601 -15.638 -15.028) 22.982 12.848 ( -7.601 -15.638 15.028) 22.982 14.184 ( 1.366 14.344 -0.898) 14.437 14.184 ( 1.366 14.344 0.898) 14.437 14.535 ( 4.400 9.421 -4.798) 11.451 14.535 ( 4.400 9.421 4.798) 11.451 15.921 ( 7.763 9.548 -25.510) 28.323 15.921 ( 7.763 9.548 25.510) 28.323 18.501 ( -6.816 -7.132 -3.950) 10.627 18.501 ( -6.816 -7.132 3.950) 10.627 ======================= Grid point 328 (98/120) ======================= q-point: ( 0.22 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 18.374 10.053 -4.750) 21.476 2.256 ( 18.374 10.053 4.750) 21.476 2.591 ( 6.320 15.624 -14.049) 21.942 2.591 ( 6.320 15.624 14.049) 21.942 3.197 ( -0.487 5.054 -5.919) 7.798 3.197 ( -0.487 5.054 5.919) 7.798 3.646 ( -4.790 2.359 -5.938) 7.986 3.646 ( -4.790 2.359 5.938) 7.986 3.833 ( -0.305 8.774 -2.450) 9.115 3.833 ( -0.305 8.774 2.450) 9.115 4.177 ( 0.537 13.626 -2.981) 13.959 4.177 ( 0.537 13.626 2.981) 13.959 4.417 ( -5.468 18.085 -2.292) 19.032 4.417 ( -5.468 18.085 2.292) 19.032 4.702 ( -0.199 18.430 -4.529) 18.980 4.702 ( -0.199 18.430 4.529) 18.980 4.882 ( 3.204 20.872 -6.249) 22.022 4.882 ( 3.204 20.872 6.249) 22.022 5.398 ( 1.249 6.829 -6.839) 9.744 5.398 ( 1.249 6.829 6.839) 9.744 5.779 ( 10.628 2.317 -4.532) 11.784 5.779 ( 10.628 2.317 4.532) 11.784 6.361 ( 3.727 -2.726 -5.241) 6.985 6.361 ( 3.727 -2.726 5.241) 6.985 6.884 ( -3.721 -4.134 -10.376) 11.773 6.884 ( -3.721 -4.134 10.376) 11.773 7.345 ( -3.078 4.998 -4.429) 7.353 7.345 ( -3.078 4.998 4.429) 7.353 7.895 ( 7.164 10.406 -3.016) 12.989 7.895 ( 7.164 10.406 3.016) 12.989 8.344 ( -4.910 12.802 -10.075) 17.015 8.344 ( -4.910 12.802 10.075) 17.015 9.069 ( 14.175 8.858 -12.059) 20.611 9.069 ( 14.175 8.858 12.059) 20.611 10.593 ( -9.400 -13.100 -3.859) 16.579 10.593 ( -9.400 -13.100 3.859) 16.579 11.636 ( 4.613 -4.182 -3.474) 7.130 11.636 ( 4.613 -4.182 3.474) 7.130 12.664 ( -11.004 -13.440 -12.081) 21.158 12.664 ( -11.004 -13.440 12.081) 21.158 14.220 ( 2.417 18.207 -0.719) 18.381 14.220 ( 2.417 18.207 0.719) 18.381 14.591 ( 0.534 13.606 -4.214) 14.253 14.591 ( 0.534 13.606 4.214) 14.253 16.177 ( 19.074 2.296 -19.432) 27.326 16.177 ( 19.074 2.296 19.432) 27.326 18.313 ( -12.709 -5.721 -2.741) 14.204 18.313 ( -12.709 -5.721 2.741) 14.204 ======================= Grid point 330 (99/120) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 8.524 8.049 -5.486) 12.944 2.548 ( 8.524 8.049 5.486) 12.944 2.712 ( 9.478 10.297 -6.785) 15.553 2.712 ( 9.478 10.297 6.785) 15.553 3.240 ( 4.142 3.323 -5.530) 7.666 3.240 ( 4.142 3.323 5.530) 7.666 3.548 ( -5.242 1.985 -6.317) 8.445 3.548 ( -5.242 1.985 6.317) 8.445 3.830 ( -0.223 7.121 -2.935) 7.706 3.830 ( -0.223 7.121 2.935) 7.706 4.127 ( -6.834 16.227 -1.633) 17.682 4.127 ( -6.834 16.227 1.633) 17.682 4.350 ( 0.605 15.063 -0.960) 15.106 4.350 ( 0.605 15.063 0.960) 15.106 4.633 ( -5.099 10.784 -3.280) 12.371 4.633 ( -5.099 10.784 3.280) 12.371 5.017 ( 8.607 24.164 -10.087) 27.563 5.017 ( 8.607 24.164 10.087) 27.563 5.398 ( -1.296 12.345 -8.591) 15.096 5.398 ( -1.296 12.345 8.591) 15.096 6.011 ( 12.637 -0.021 -4.207) 13.319 6.011 ( 12.637 -0.021 4.207) 13.319 6.457 ( 6.145 -0.846 -4.705) 7.786 6.457 ( 6.145 -0.846 4.705) 7.786 6.795 ( -4.960 -4.174 -9.917) 11.847 6.795 ( -4.960 -4.174 9.917) 11.847 7.238 ( -8.067 0.434 -4.904) 9.450 7.238 ( -8.067 0.434 4.904) 9.450 8.022 ( 5.670 14.375 -5.157) 16.291 8.022 ( 5.670 14.375 5.157) 16.291 8.260 ( -3.756 18.341 -8.856) 20.711 8.260 ( -3.756 18.341 8.856) 20.711 9.377 ( 17.463 2.840 -9.611) 20.135 9.377 ( 17.463 2.840 9.611) 20.135 10.372 ( -13.493 -9.379 -3.485) 16.797 10.372 ( -13.493 -9.379 3.485) 16.797 11.751 ( 7.179 -6.322 -4.457) 10.553 11.751 ( 7.179 -6.322 4.457) 10.553 12.446 ( -11.411 -11.611 -9.045) 18.623 12.446 ( -11.411 -11.611 9.045) 18.623 14.276 ( 3.363 20.280 -0.619) 20.567 14.276 ( 3.363 20.280 0.619) 20.567 14.555 ( -3.699 18.316 -2.523) 18.855 14.555 ( -3.699 18.316 2.523) 18.855 16.623 ( 26.258 -2.839 -12.293) 29.131 16.623 ( 26.258 -2.839 12.293) 29.131 18.018 ( -18.067 -4.749 -0.766) 18.696 18.018 ( -18.067 -4.749 0.766) 18.696 ======================= Grid point 332 (100/120) ======================= q-point: ( 0.44 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -0.190 9.335 -4.162) 10.223 2.591 ( -0.190 9.335 4.162) 10.223 2.948 ( 10.358 3.754 -7.040) 13.074 2.948 ( 10.358 3.754 7.040) 13.074 3.294 ( 0.204 5.200 -3.727) 6.402 3.294 ( 0.204 5.200 3.727) 6.402 3.457 ( -3.263 1.290 -3.259) 4.789 3.457 ( -3.263 1.290 3.259) 4.789 3.832 ( 0.661 9.787 -1.423) 9.912 3.832 ( 0.661 9.787 1.423) 9.912 3.981 ( -5.894 8.087 -0.621) 10.026 3.981 ( -5.894 8.087 0.621) 10.026 4.417 ( 4.983 14.797 -3.283) 15.955 4.417 ( 4.983 14.797 3.283) 15.955 4.531 ( -5.354 11.967 -3.869) 13.669 4.531 ( -5.354 11.967 3.869) 13.669 5.162 ( 5.474 23.901 -6.696) 25.418 5.162 ( 5.474 23.901 6.696) 25.418 5.355 ( -2.614 15.433 -6.090) 16.796 5.355 ( -2.614 15.433 6.090) 16.796 6.213 ( 6.816 -0.069 -2.440) 7.240 6.213 ( 6.816 -0.069 2.440) 7.240 6.561 ( 2.562 -0.660 -2.812) 3.861 6.561 ( 2.562 -0.660 2.812) 3.861 6.740 ( 0.773 -4.316 -6.471) 7.816 6.740 ( 0.773 -4.316 6.471) 7.816 7.064 ( -8.079 -3.198 -3.741) 9.460 7.064 ( -8.079 -3.198 3.741) 9.460 8.105 ( 2.754 19.054 -4.454) 19.761 8.105 ( 2.754 19.054 4.454) 19.761 8.203 ( -2.041 19.509 -5.542) 20.384 8.203 ( -2.041 19.509 5.542) 20.384 9.712 ( 16.445 -1.348 -6.477) 17.725 9.712 ( 16.445 -1.348 6.477) 17.725 10.091 ( -14.922 -6.002 -4.174) 16.617 10.091 ( -14.922 -6.002 4.174) 16.617 11.891 ( 6.136 -7.763 -3.541) 10.510 11.891 ( 6.136 -7.763 3.541) 10.510 12.252 ( -7.547 -10.496 -4.927) 13.835 12.252 ( -7.547 -10.496 4.927) 13.835 14.343 ( 3.182 21.154 -0.554) 21.400 14.343 ( 3.182 21.154 0.554) 21.400 14.476 ( -3.679 20.476 -1.138) 20.835 14.476 ( -3.679 20.476 1.138) 20.835 17.137 ( 26.421 -4.431 -6.623) 27.597 17.137 ( 26.421 -4.431 6.623) 27.597 17.624 ( -22.854 -4.477 -2.524) 23.425 17.624 ( -22.854 -4.477 2.524) 23.425 ======================= Grid point 342 (101/120) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.000 19.813 -2.621) 19.985 2.167 ( 0.000 19.813 2.621) 19.985 2.770 ( 0.000 16.732 -10.812) 19.921 2.770 ( 0.000 16.732 10.812) 19.921 3.399 ( 0.000 5.977 -3.452) 6.903 3.399 ( 0.000 5.977 3.452) 6.903 3.757 ( 0.000 1.350 -1.779) 2.233 3.757 ( 0.000 1.350 1.779) 2.233 4.041 ( 0.000 -3.157 -3.864) 4.990 4.041 ( 0.000 -3.157 3.864) 4.990 4.245 ( 0.000 10.806 -5.369) 12.066 4.245 ( 0.000 10.806 5.369) 12.066 4.868 ( 0.000 12.687 -0.678) 12.705 4.868 ( 0.000 12.687 0.678) 12.705 5.145 ( 0.000 27.398 -11.553) 29.734 5.145 ( 0.000 27.398 11.553) 29.734 5.320 ( 0.000 6.397 -5.689) 8.561 5.320 ( 0.000 6.397 5.689) 8.561 5.468 ( 0.000 20.103 -4.206) 20.538 5.468 ( 0.000 20.103 4.206) 20.538 5.755 ( 0.000 10.798 -2.466) 11.076 5.755 ( 0.000 10.798 2.466) 11.076 6.173 ( 0.000 -4.647 -4.376) 6.383 6.173 ( 0.000 -4.647 4.376) 6.383 6.864 ( 0.000 -2.510 -4.034) 4.751 6.864 ( 0.000 -2.510 4.034) 4.751 7.376 ( 0.000 -4.121 -9.937) 10.758 7.376 ( 0.000 -4.121 9.937) 10.758 7.947 ( 0.000 8.777 -6.140) 10.712 7.947 ( 0.000 8.777 6.140) 10.712 8.495 ( 0.000 4.698 -3.916) 6.116 8.495 ( 0.000 4.698 3.916) 6.116 9.219 ( 0.000 21.152 -15.124) 26.002 9.219 ( 0.000 21.152 15.124) 26.002 10.440 ( 0.000 -15.686 -0.907) 15.712 10.440 ( 0.000 -15.686 0.907) 15.712 11.560 ( 0.000 1.105 -3.551) 3.719 11.560 ( 0.000 1.105 3.551) 3.719 12.599 ( 0.000 -15.263 -15.334) 21.636 12.599 ( 0.000 -15.263 15.334) 21.636 14.225 ( 0.000 -1.497 -2.332) 2.771 14.225 ( 0.000 -1.497 2.332) 2.771 14.793 ( 0.000 16.852 -6.900) 18.210 14.793 ( 0.000 16.852 6.900) 18.210 16.045 ( 0.000 7.000 -22.179) 23.257 16.045 ( 0.000 7.000 22.179) 23.257 18.418 ( 0.000 -6.959 -3.573) 7.822 18.418 ( 0.000 -6.959 3.573) 7.822 ======================= Grid point 344 (102/120) ======================= q-point: ( 0.11 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 8.731 16.865 -1.333) 19.037 2.258 ( 8.731 16.865 1.333) 19.037 2.810 ( 4.012 16.156 -11.020) 19.963 2.810 ( 4.012 16.156 11.020) 19.963 3.358 ( -3.951 5.332 -4.043) 7.771 3.358 ( -3.951 5.332 4.043) 7.771 3.744 ( -1.538 1.604 -2.308) 3.204 3.744 ( -1.538 1.604 2.308) 3.204 3.970 ( -5.014 -1.127 -3.406) 6.166 3.970 ( -5.014 -1.127 3.406) 6.166 4.317 ( 5.530 9.071 -6.524) 12.467 4.317 ( 5.530 9.071 6.524) 12.467 4.856 ( -1.525 14.495 -1.660) 14.669 4.856 ( -1.525 14.495 1.660) 14.669 5.134 ( -6.297 18.576 -5.721) 20.432 5.134 ( -6.297 18.576 5.721) 20.432 5.243 ( -1.067 12.883 -3.686) 13.443 5.243 ( -1.067 12.883 3.686) 13.443 5.519 ( 4.820 16.443 -5.184) 17.902 5.519 ( 4.820 16.443 5.184) 17.902 5.802 ( 4.071 12.130 -3.824) 13.355 5.802 ( 4.071 12.130 3.824) 13.355 6.224 ( 4.869 -2.728 -4.107) 6.929 6.224 ( 4.869 -2.728 4.107) 6.929 6.857 ( -1.003 -2.580 -4.612) 5.379 6.857 ( -1.003 -2.580 4.612) 5.379 7.378 ( -0.394 -4.329 -10.162) 11.052 7.378 ( -0.394 -4.329 10.162) 11.052 7.986 ( 4.300 8.572 -5.452) 11.032 7.986 ( 4.300 8.572 5.452) 11.032 8.521 ( 2.515 6.711 -4.156) 8.285 8.521 ( 2.515 6.711 4.156) 8.285 9.238 ( 2.162 19.460 -14.557) 24.398 9.238 ( 2.162 19.460 14.557) 24.398 10.411 ( -3.053 -15.230 -1.969) 15.657 10.411 ( -3.053 -15.230 1.969) 15.657 11.568 ( 0.896 0.862 -3.005) 3.252 11.568 ( 0.896 0.862 3.005) 3.252 12.544 ( -5.501 -14.210 -14.495) 21.031 12.544 ( -5.501 -14.210 14.495) 21.031 14.302 ( 7.301 0.225 -2.520) 7.727 14.302 ( 7.301 0.225 2.520) 7.727 14.813 ( 1.953 15.536 -6.901) 17.111 14.813 ( 1.953 15.536 6.901) 17.111 16.081 ( 4.348 6.427 -20.889) 22.283 16.081 ( 4.348 6.427 20.889) 22.283 18.363 ( -5.736 -6.529 -3.225) 9.270 18.363 ( -5.736 -6.529 3.225) 9.270 ======================= Grid point 346 (103/120) ======================= q-point: ( 0.22 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 11.422 10.332 -1.840) 15.511 2.460 ( 11.422 10.332 1.840) 15.511 2.900 ( 4.236 14.747 -10.785) 18.755 2.900 ( 4.236 14.747 10.785) 18.755 3.279 ( -3.045 3.255 -4.817) 6.563 3.279 ( -3.045 3.255 4.817) 6.563 3.687 ( -4.401 1.997 -4.022) 6.288 3.687 ( -4.401 1.997 4.022) 6.288 3.905 ( -1.361 0.112 -3.718) 3.961 3.905 ( -1.361 0.112 3.718) 3.961 4.416 ( 4.111 9.051 -7.905) 12.701 4.416 ( 4.111 9.051 7.905) 12.701 4.768 ( -9.381 15.150 -2.436) 17.985 4.768 ( -9.381 15.150 2.436) 17.985 4.944 ( -7.654 8.011 -1.441) 11.172 4.944 ( -7.654 8.011 1.441) 11.172 5.328 ( 7.023 19.950 -8.139) 22.662 5.328 ( 7.023 19.950 8.139) 22.662 5.625 ( 5.293 14.737 -5.625) 16.639 5.625 ( 5.293 14.737 5.625) 16.639 5.904 ( 6.867 10.839 -3.930) 13.419 5.904 ( 6.867 10.839 3.930) 13.419 6.339 ( 6.726 0.718 -3.234) 7.498 6.339 ( 6.726 0.718 3.234) 7.498 6.815 ( -3.457 -2.414 -5.271) 6.750 6.815 ( -3.457 -2.414 5.271) 6.750 7.332 ( -4.953 -4.637 -9.036) 11.300 7.332 ( -4.953 -4.637 9.036) 11.300 8.116 ( 8.990 9.132 -2.680) 13.092 8.116 ( 8.990 9.132 2.680) 13.092 8.575 ( 2.633 11.515 -4.790) 12.746 8.575 ( 2.633 11.515 4.790) 12.746 9.313 ( 5.986 14.143 -13.002) 20.122 9.313 ( 5.986 14.143 13.002) 20.122 10.321 ( -6.369 -13.639 -3.727) 15.507 10.321 ( -6.369 -13.639 3.727) 15.507 11.600 ( 2.642 -0.065 -2.413) 3.579 11.600 ( 2.642 -0.065 2.413) 3.579 12.405 ( -8.583 -11.988 -12.557) 19.366 12.405 ( -8.583 -11.988 12.557) 19.366 14.459 ( 8.061 5.589 -2.403) 10.099 14.459 ( 8.061 5.589 2.403) 10.099 14.853 ( 1.639 12.918 -5.970) 14.325 14.853 ( 1.639 12.918 5.970) 14.325 16.243 ( 13.340 3.804 -16.750) 21.749 16.243 ( 13.340 3.804 16.750) 21.749 18.198 ( -11.495 -5.588 -2.175) 12.965 18.198 ( -11.495 -5.588 2.175) 12.965 ======================= Grid point 348 (104/120) ======================= q-point: ( 0.33 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 7.486 3.770 -4.630) 9.575 2.656 ( 7.486 3.770 4.630) 9.575 2.953 ( 2.918 12.619 -6.206) 14.362 2.953 ( 2.918 12.619 6.206) 14.362 3.278 ( 2.455 0.543 -2.240) 3.367 3.278 ( 2.455 0.543 2.240) 3.367 3.588 ( -5.656 2.456 -5.090) 7.996 3.588 ( -5.656 2.456 5.090) 7.996 3.910 ( 1.613 1.797 -3.234) 4.036 3.910 ( 1.613 1.797 3.234) 4.036 4.381 ( -10.881 8.507 -4.012) 14.383 4.381 ( -10.881 8.507 4.012) 14.383 4.625 ( 0.143 10.773 -4.169) 11.552 4.625 ( 0.143 10.773 4.169) 11.552 4.855 ( -3.516 12.325 -3.275) 13.228 4.855 ( -3.516 12.325 3.275) 13.228 5.476 ( 7.919 19.283 -6.808) 21.930 5.476 ( 7.919 19.283 6.808) 21.930 5.695 ( 1.749 15.695 -5.015) 16.569 5.695 ( 1.749 15.695 5.015) 16.569 6.067 ( 9.840 6.549 -4.577) 12.675 6.067 ( 9.840 6.549 4.577) 12.675 6.474 ( 7.230 2.719 -2.961) 8.272 6.474 ( 7.230 2.719 2.961) 8.272 6.731 ( -4.932 -2.027 -5.108) 7.384 6.731 ( -4.932 -2.027 5.108) 7.384 7.188 ( -9.626 -4.155 -6.574) 12.375 7.188 ( -9.626 -4.155 6.574) 12.375 8.301 ( 9.500 11.733 -0.758) 15.116 8.301 ( 9.500 11.733 0.758) 15.116 8.604 ( 0.032 15.808 -5.203) 16.643 8.604 ( 0.032 15.808 5.203) 16.643 9.472 ( 10.472 6.543 -11.034) 16.560 9.472 ( 10.472 6.543 11.034) 16.560 10.168 ( -9.643 -10.666 -5.578) 15.423 10.168 ( -9.643 -10.666 5.578) 15.423 11.673 ( 4.951 -1.809 -3.494) 6.325 11.673 ( 4.951 -1.809 3.494) 6.325 12.229 ( -9.393 -9.678 -10.057) 16.823 12.229 ( -9.393 -9.678 10.057) 16.823 14.594 ( 6.080 10.892 -1.732) 12.593 14.594 ( 6.080 10.892 1.732) 12.593 14.857 ( -1.428 12.267 -3.687) 12.888 14.857 ( -1.428 12.267 3.687) 12.888 16.594 ( 22.647 -0.183 -10.869) 25.121 16.594 ( 22.647 -0.183 10.869) 25.121 17.922 ( -17.341 -4.700 -0.465) 17.972 17.922 ( -17.341 -4.700 0.465) 17.972 ======================= Grid point 350 (105/120) ======================= q-point: ( 0.44 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 0.163 2.631 -2.695) 3.770 2.714 ( 0.163 2.631 2.695) 3.770 3.066 ( 6.779 8.479 -4.048) 11.586 3.066 ( 6.779 8.479 4.048) 11.586 3.310 ( -0.396 -3.911 -0.735) 3.999 3.310 ( -0.396 -3.911 0.735) 3.999 3.493 ( -3.162 4.438 -3.430) 6.439 3.493 ( -3.162 4.438 3.430) 6.439 3.972 ( 5.218 3.797 -2.098) 6.786 3.972 ( 5.218 3.797 2.098) 6.786 4.139 ( -11.303 7.461 -2.450) 13.763 4.139 ( -11.303 7.461 2.450) 13.763 4.691 ( 4.424 10.942 -6.333) 13.395 4.691 ( 4.424 10.942 6.333) 13.395 4.784 ( -3.973 13.267 -5.291) 14.826 4.784 ( -3.973 13.267 5.291) 14.826 5.610 ( 5.660 19.083 -5.135) 20.556 5.610 ( 5.660 19.083 5.135) 20.556 5.691 ( -2.032 16.665 -4.508) 17.383 5.691 ( -2.032 16.665 4.508) 17.383 6.244 ( 6.867 3.618 -3.680) 8.590 6.244 ( 6.867 3.618 3.680) 8.590 6.561 ( -0.792 0.259 -3.674) 3.768 6.561 ( -0.792 0.259 3.674) 3.768 6.689 ( 3.091 0.009 -2.394) 3.910 6.689 ( 3.091 0.009 2.394) 3.910 6.998 ( -8.415 -2.500 -3.199) 9.343 6.998 ( -8.415 -2.500 3.199) 9.343 8.457 ( 6.242 15.208 -2.739) 16.666 8.457 ( 6.242 15.208 2.739) 16.666 8.574 ( -2.832 16.728 -4.214) 17.482 8.574 ( -2.832 16.728 4.214) 17.482 9.695 ( 11.866 -0.228 -8.622) 14.670 9.695 ( 11.866 -0.228 8.622) 14.670 9.961 ( -11.260 -6.604 -6.836) 14.735 9.961 ( -11.260 -6.604 6.836) 14.735 11.776 ( 4.740 -3.770 -3.434) 6.962 11.776 ( 4.740 -3.770 3.434) 6.962 12.068 ( -6.328 -7.721 -5.621) 11.457 12.068 ( -6.328 -7.721 5.621) 11.457 14.694 ( 4.043 13.457 -1.081) 14.093 14.694 ( 4.043 13.457 1.081) 14.093 14.809 ( -2.933 12.689 -1.660) 13.128 14.809 ( -2.933 12.689 1.660) 13.128 17.065 ( 25.199 -2.779 -5.782) 26.003 17.065 ( 25.199 -2.779 5.782) 26.003 17.539 ( -22.396 -3.985 -2.161) 22.850 17.539 ( -22.396 -3.985 2.161) 22.850 ======================= Grid point 360 (106/120) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 0.000 17.814 -4.312) 18.328 2.545 ( 0.000 17.814 4.312) 18.328 3.086 ( 0.000 14.710 -7.523) 16.523 3.086 ( 0.000 14.710 7.523) 16.523 3.510 ( 0.000 4.894 -3.127) 5.808 3.510 ( 0.000 4.894 3.127) 5.808 3.773 ( 0.000 -0.052 -0.341) 0.345 3.773 ( 0.000 -0.052 0.341) 0.345 3.943 ( 0.000 -5.969 -2.674) 6.541 3.943 ( 0.000 -5.969 2.674) 6.541 4.402 ( 0.000 4.820 -9.631) 10.770 4.402 ( 0.000 4.820 9.631) 10.770 5.073 ( 0.000 8.394 -1.426) 8.515 5.073 ( 0.000 8.394 1.426) 8.515 5.394 ( 0.000 3.867 -2.304) 4.501 5.394 ( 0.000 3.867 2.304) 4.501 5.616 ( 0.000 16.925 -2.171) 17.063 5.616 ( 0.000 16.925 2.171) 17.063 5.827 ( 0.000 13.823 -5.408) 14.843 5.827 ( 0.000 13.823 5.408) 14.843 5.989 ( 0.000 7.753 -7.543) 10.817 5.989 ( 0.000 7.753 7.543) 10.817 6.186 ( 0.000 10.083 -4.795) 11.165 6.186 ( 0.000 10.083 4.795) 11.165 6.850 ( 0.000 1.637 -1.806) 2.438 6.850 ( 0.000 1.637 1.806) 2.438 7.248 ( 0.000 -8.348 -11.381) 14.114 7.248 ( 0.000 -8.348 11.381) 14.114 8.018 ( 0.000 -0.222 -6.105) 6.109 8.018 ( 0.000 -0.222 6.105) 6.109 8.680 ( 0.000 11.784 -1.745) 11.912 8.680 ( 0.000 11.784 1.745) 11.912 9.566 ( 0.000 11.564 -7.435) 13.748 9.566 ( 0.000 11.564 7.435) 13.748 10.168 ( 0.000 -9.472 -9.708) 13.564 10.168 ( 0.000 -9.472 9.708) 13.564 11.588 ( 0.000 1.553 -1.896) 2.451 11.588 ( 0.000 1.553 1.896) 2.451 12.331 ( 0.000 -11.328 -12.642) 16.974 12.331 ( 0.000 -11.328 12.642) 16.974 14.180 ( 0.000 -2.494 -1.788) 3.069 14.180 ( 0.000 -2.494 1.788) 3.069 15.075 ( 0.000 10.854 -6.095) 12.448 15.075 ( 0.000 10.854 6.095) 12.448 16.151 ( 0.000 3.933 -15.787) 16.270 16.151 ( 0.000 3.933 15.787) 16.270 18.291 ( 0.000 -5.619 -2.363) 6.095 18.291 ( 0.000 -5.619 2.363) 6.095 ======================= Grid point 362 (107/120) ======================= q-point: ( 0.11 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 3.755 15.632 -3.586) 16.472 2.586 ( 3.755 15.632 3.586) 16.472 3.113 ( 2.690 13.951 -7.952) 16.282 3.113 ( 2.690 13.951 7.952) 16.282 3.453 ( -5.497 4.053 -3.724) 7.779 3.453 ( -5.497 4.053 3.724) 7.779 3.769 ( -0.799 0.665 -0.418) 1.121 3.769 ( -0.799 0.665 0.418) 1.121 3.903 ( -2.932 -4.737 -2.479) 6.098 3.903 ( -2.932 -4.737 2.479) 6.098 4.447 ( 3.993 3.757 -10.271) 11.643 4.447 ( 3.993 3.757 10.271) 11.643 5.086 ( 0.547 8.373 -2.087) 8.646 5.086 ( 0.547 8.373 2.087) 8.646 5.284 ( -11.664 4.445 -4.542) 13.283 5.284 ( -11.664 4.445 4.542) 13.283 5.569 ( -0.860 13.574 -4.774) 14.415 5.569 ( -0.860 13.574 4.774) 14.415 5.845 ( 2.642 13.608 -6.928) 15.497 5.845 ( 2.642 13.608 6.928) 15.497 6.097 ( 6.579 13.496 -3.591) 15.438 6.097 ( 6.579 13.496 3.591) 15.438 6.241 ( 6.247 6.777 -6.037) 11.018 6.241 ( 6.247 6.777 6.037) 11.018 6.841 ( -1.138 1.435 -1.049) 2.111 6.841 ( -1.138 1.435 1.049) 2.111 7.246 ( -0.541 -8.260 -10.860) 13.655 7.246 ( -0.541 -8.260 10.860) 13.655 8.066 ( 5.262 0.617 -5.793) 7.850 8.066 ( 5.262 0.617 5.793) 7.850 8.725 ( 4.395 12.072 -2.169) 13.029 8.725 ( 4.395 12.072 2.169) 13.029 9.562 ( -0.347 10.681 -7.273) 12.927 9.562 ( -0.347 10.681 7.273) 12.927 10.147 ( -2.222 -9.103 -9.762) 13.531 10.147 ( -2.222 -9.103 9.762) 13.531 11.594 ( 0.637 1.554 -1.755) 2.429 11.594 ( 0.637 1.554 1.755) 2.429 12.293 ( -3.777 -10.590 -12.233) 16.615 12.293 ( -3.777 -10.590 12.233) 16.615 14.275 ( 9.324 -2.185 -1.911) 9.765 14.275 ( 9.324 -2.185 1.911) 9.765 15.077 ( 0.181 10.244 -5.865) 11.806 15.077 ( 0.181 10.244 5.865) 11.806 16.183 ( 3.685 3.899 -14.843) 15.783 16.183 ( 3.685 3.899 14.843) 15.783 18.243 ( -5.123 -5.407 -2.121) 7.744 18.243 ( -5.123 -5.407 2.121) 7.744 ======================= Grid point 364 (108/120) ======================= q-point: ( 0.22 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 4.078 9.985 -2.182) 11.004 2.666 ( 4.078 9.985 2.182) 11.004 3.172 ( 2.493 12.185 -7.585) 14.568 3.172 ( 2.493 12.185 7.585) 14.568 3.331 ( -5.772 2.142 -4.079) 7.385 3.331 ( -5.772 2.142 4.079) 7.385 3.722 ( -3.951 1.307 -2.266) 4.739 3.722 ( -3.951 1.307 2.266) 4.739 3.882 ( 1.084 -1.910 -3.245) 3.919 3.882 ( 1.084 -1.910 3.245) 3.919 4.526 ( 3.318 2.380 -10.452) 11.221 4.526 ( 3.318 2.380 10.452) 11.221 4.958 ( -14.312 4.543 -1.749) 15.117 4.958 ( -14.312 4.543 1.749) 15.117 5.136 ( -1.444 10.892 -3.509) 11.534 5.136 ( -1.444 10.892 3.509) 11.534 5.609 ( 4.465 9.169 -4.278) 11.059 5.609 ( 4.465 9.169 4.278) 11.059 5.916 ( 4.111 12.473 -5.669) 14.304 5.916 ( 4.111 12.473 5.669) 14.304 6.193 ( 4.307 15.500 -2.630) 16.301 6.193 ( 4.307 15.500 2.630) 16.301 6.401 ( 9.004 5.446 -5.904) 12.066 6.401 ( 9.004 5.446 5.904) 12.066 6.801 ( -3.057 1.480 -0.662) 3.460 6.801 ( -3.057 1.480 0.662) 3.460 7.209 ( -3.582 -6.742 -8.093) 11.125 7.209 ( -3.582 -6.742 8.093) 11.125 8.223 ( 10.906 2.191 -4.156) 11.875 8.223 ( 10.906 2.191 4.156) 11.875 8.826 ( 5.310 12.836 -3.073) 14.227 8.826 ( 5.310 12.836 3.073) 14.227 9.561 ( 0.595 7.956 -7.090) 10.673 9.561 ( 0.595 7.956 7.090) 10.673 10.084 ( -4.312 -7.881 -9.963) 13.415 10.084 ( -4.312 -7.881 9.963) 13.415 11.616 ( 1.730 1.347 -2.023) 2.983 11.616 ( 1.730 1.347 2.023) 2.983 12.195 ( -6.256 -8.845 -11.120) 15.525 12.195 ( -6.256 -8.845 11.120) 15.525 14.498 ( 12.779 -0.411 -2.077) 12.953 14.498 ( 12.779 -0.411 2.077) 12.953 15.077 ( -0.417 8.765 -4.987) 10.093 15.077 ( -0.417 8.765 4.987) 10.093 16.314 ( 10.610 3.024 -12.047) 16.335 16.314 ( 10.610 3.024 12.047) 16.335 18.092 ( -10.668 -4.894 -1.388) 11.819 18.092 ( -10.668 -4.894 1.388) 11.819 ======================= Grid point 366 (109/120) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 1.780 3.410 -3.377) 5.119 2.725 ( 1.780 3.410 3.377) 5.119 3.164 ( -1.911 5.597 -2.425) 6.392 3.164 ( -1.911 5.597 2.425) 6.392 3.295 ( 0.973 3.968 -5.713) 7.023 3.295 ( 0.973 3.968 5.713) 7.023 3.643 ( -3.802 2.796 -3.731) 6.016 3.643 ( -3.802 2.796 3.731) 6.016 3.932 ( 3.877 0.713 -2.792) 4.831 3.932 ( 3.877 0.713 2.792) 4.831 4.479 ( -10.250 2.160 -5.606) 11.881 4.479 ( -10.250 2.160 5.606) 11.881 4.791 ( 0.058 6.301 -6.919) 9.358 4.791 ( 0.058 6.301 6.919) 9.358 5.097 ( -3.218 10.549 -4.678) 11.980 5.097 ( -3.218 10.549 4.678) 11.980 5.723 ( 7.046 6.435 -2.992) 10.000 5.723 ( 7.046 6.435 2.992) 10.000 5.979 ( 1.977 11.485 -2.754) 11.975 5.979 ( 1.977 11.485 2.754) 11.975 6.281 ( 5.098 12.971 -4.783) 14.735 6.281 ( 5.098 12.971 4.783) 14.735 6.550 ( 5.471 3.350 -5.260) 8.296 6.550 ( 5.471 3.350 5.260) 8.296 6.737 ( -2.547 3.972 -0.770) 4.781 6.737 ( -2.547 3.972 0.770) 4.781 7.112 ( -6.252 -2.725 -3.718) 7.768 7.112 ( -6.252 -2.725 3.718) 7.768 8.458 ( 12.824 4.163 -1.866) 13.611 8.458 ( 12.824 4.163 1.866) 13.611 8.894 ( 1.020 12.956 -3.521) 13.465 8.894 ( 1.020 12.956 3.521) 13.465 9.600 ( 3.812 4.042 -7.719) 9.511 9.600 ( 3.812 4.042 7.719) 9.511 9.984 ( -6.138 -5.676 -10.182) 13.174 9.984 ( -6.138 -5.676 10.182) 13.174 11.663 ( 3.259 0.540 -3.239) 4.626 11.663 ( 3.259 0.540 3.239) 4.626 12.065 ( -7.062 -6.742 -9.303) 13.486 12.065 ( -7.062 -6.742 9.303) 13.486 14.724 ( 10.247 2.951 -1.953) 10.841 14.724 ( 10.247 2.951 1.953) 10.841 15.054 ( -2.082 7.398 -3.473) 8.434 15.054 ( -2.082 7.398 3.473) 8.434 16.602 ( 19.244 0.592 -8.088) 20.883 16.602 ( 19.244 0.592 8.088) 20.883 17.832 ( -16.560 -4.268 -0.142) 17.101 17.832 ( -16.560 -4.268 0.142) 17.101 ======================= Grid point 368 (110/120) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -0.189 0.504 -2.047) 2.117 2.735 ( -0.189 0.504 2.047) 2.117 3.160 ( 0.958 -4.499 -3.118) 5.557 3.160 ( 0.958 -4.499 3.118) 5.557 3.303 ( -0.332 8.619 -4.603) 9.777 3.303 ( -0.332 8.619 4.603) 9.777 3.591 ( -1.436 4.610 -2.395) 5.390 3.591 ( -1.436 4.610 2.395) 5.390 4.026 ( 5.546 2.209 -1.573) 6.174 4.026 ( 5.546 2.209 1.573) 6.174 4.256 ( -9.874 4.214 -2.322) 10.984 4.256 ( -9.874 4.214 2.322) 10.984 4.860 ( 4.434 6.413 -6.330) 10.043 4.860 ( 4.434 6.413 6.330) 10.043 5.020 ( -4.076 9.375 -4.932) 11.350 5.020 ( -4.076 9.375 4.932) 11.350 5.850 ( 5.078 5.242 -1.418) 7.435 5.850 ( 5.078 5.242 1.418) 7.435 5.983 ( -1.186 10.926 -0.539) 11.004 5.983 ( -1.186 10.926 0.539) 11.004 6.380 ( 4.494 9.436 -5.257) 11.699 6.380 ( 4.494 9.436 5.257) 11.699 6.554 ( -3.305 -0.399 -5.148) 6.130 6.554 ( -3.305 -0.399 5.148) 6.130 6.764 ( 3.793 7.170 -2.647) 8.532 6.764 ( 3.793 7.170 2.647) 8.532 6.994 ( -4.971 2.300 -1.333) 5.637 6.994 ( -4.971 2.300 1.333) 5.637 8.686 ( 10.249 7.321 -1.344) 12.667 8.686 ( 10.249 7.321 1.344) 12.667 8.852 ( -5.255 10.516 -2.711) 12.064 8.852 ( -5.255 10.516 2.711) 12.064 9.705 ( 6.552 0.760 -8.629) 10.862 9.705 ( 6.552 0.760 8.629) 10.862 9.855 ( -7.003 -2.874 -9.562) 12.196 9.855 ( -7.003 -2.874 9.562) 12.196 11.733 ( 3.271 -0.768 -3.214) 4.649 11.733 ( 3.271 -0.768 3.214) 4.649 11.943 ( -4.740 -4.812 -5.321) 8.598 11.943 ( -4.740 -4.812 5.321) 8.598 14.883 ( 6.370 5.849 -1.613) 8.797 14.883 ( 6.370 5.849 1.613) 8.797 14.996 ( -3.860 6.396 -2.045) 7.745 14.996 ( -3.860 6.396 2.045) 7.745 17.020 ( 23.267 -1.867 -4.421) 23.756 17.020 ( 23.267 -1.867 4.421) 23.756 17.464 ( -21.477 -3.481 -1.730) 21.826 17.464 ( -21.477 -3.481 1.730) 21.826 ======================= Grid point 378 (111/120) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 0.000 15.065 -4.423) 15.701 2.876 ( 0.000 15.065 4.423) 15.701 3.354 ( 0.000 11.848 -6.018) 13.288 3.354 ( 0.000 11.848 6.018) 13.288 3.588 ( 0.000 2.648 -2.535) 3.666 3.588 ( 0.000 2.648 2.535) 3.666 3.729 ( 0.000 -4.952 -2.126) 5.389 3.729 ( 0.000 -4.952 2.126) 5.389 3.829 ( 0.000 -4.408 -1.034) 4.528 3.829 ( 0.000 -4.408 1.034) 4.528 4.455 ( 0.000 0.973 -8.417) 8.473 4.455 ( 0.000 0.973 8.417) 8.473 5.217 ( 0.000 6.012 -3.573) 6.993 5.217 ( 0.000 6.012 3.573) 6.993 5.449 ( 0.000 1.442 -4.263) 4.500 5.449 ( 0.000 1.442 4.263) 4.500 5.796 ( 0.000 2.052 -2.353) 3.122 5.796 ( 0.000 2.052 2.353) 3.122 6.056 ( 0.000 10.501 -2.383) 10.768 6.056 ( 0.000 10.501 2.383) 10.768 6.160 ( 0.000 10.733 -4.128) 11.499 6.160 ( 0.000 10.733 4.128) 11.499 6.427 ( 0.000 9.162 -4.091) 10.034 6.427 ( 0.000 9.162 4.091) 10.034 6.938 ( 0.000 6.497 -4.266) 7.772 6.938 ( 0.000 6.497 4.266) 7.772 7.053 ( 0.000 -10.616 -10.003) 14.586 7.053 ( 0.000 -10.616 10.003) 14.586 7.996 ( 0.000 -1.235 -4.397) 4.567 7.996 ( 0.000 -1.235 4.397) 4.567 8.897 ( 0.000 8.964 -0.623) 8.985 8.897 ( 0.000 8.964 0.623) 8.985 9.598 ( 0.000 -6.281 -0.908) 6.347 9.598 ( 0.000 -6.281 0.908) 6.347 10.154 ( 0.000 6.313 -12.447) 13.956 10.154 ( 0.000 6.313 12.447) 13.956 11.617 ( 0.000 1.229 -0.507) 1.329 11.617 ( 0.000 1.229 0.507) 1.329 12.146 ( 0.000 -7.153 -8.358) 11.001 12.146 ( 0.000 -7.153 8.358) 11.001 14.134 ( 0.000 -1.940 -1.144) 2.252 14.134 ( 0.000 -1.940 1.144) 2.252 15.231 ( 0.000 5.077 -3.878) 6.389 15.231 ( 0.000 5.077 3.878) 6.389 16.210 ( 0.000 2.012 -9.088) 9.308 16.210 ( 0.000 2.012 9.088) 9.308 18.196 ( 0.000 -3.747 -1.221) 3.940 18.196 ( 0.000 -3.747 1.221) 3.940 ======================= Grid point 380 (112/120) ======================= q-point: ( 0.11 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -0.361 13.078 -4.097) 13.709 2.876 ( -0.361 13.078 4.097) 13.709 3.364 ( 0.805 10.682 -6.299) 12.428 3.364 ( 0.805 10.682 6.299) 12.428 3.516 ( -6.558 2.152 -3.434) 7.709 3.516 ( -6.558 2.152 3.434) 7.709 3.755 ( 1.760 -2.745 -2.574) 4.154 3.755 ( 1.760 -2.745 2.574) 4.154 3.805 ( -1.723 -4.086 -1.063) 4.560 3.805 ( -1.723 -4.086 1.063) 4.560 4.483 ( 2.707 0.437 -8.716) 9.137 4.483 ( 2.707 0.437 8.716) 9.137 5.196 ( -4.219 3.096 -3.574) 6.337 5.196 ( -4.219 3.096 3.574) 6.337 5.378 ( -5.369 4.472 -5.512) 8.900 5.378 ( -5.369 4.472 5.512) 8.900 5.750 ( -2.147 5.021 -3.230) 6.345 5.750 ( -2.147 5.021 3.230) 6.345 6.061 ( 1.358 8.907 -5.835) 10.734 6.061 ( 1.358 8.907 5.835) 10.734 6.290 ( 9.681 8.367 -2.240) 12.991 6.290 ( 9.681 8.367 2.240) 12.991 6.446 ( 1.956 8.473 -5.140) 10.102 6.446 ( 1.956 8.473 5.140) 10.102 6.920 ( -1.695 5.184 -1.252) 5.596 6.920 ( -1.695 5.184 1.252) 5.596 7.070 ( 1.448 -8.087 -6.988) 10.786 7.070 ( 1.448 -8.087 6.988) 10.786 8.058 ( 6.466 -0.770 -4.114) 7.702 8.058 ( 6.466 -0.770 4.114) 7.702 8.947 ( 4.899 9.274 -1.054) 10.541 8.947 ( 4.899 9.274 1.054) 10.541 9.580 ( -1.745 -6.693 -1.235) 7.027 9.580 ( -1.745 -6.693 1.235) 7.027 10.137 ( -1.770 6.256 -12.172) 13.800 10.137 ( -1.770 6.256 12.172) 13.800 11.624 ( 0.705 1.303 -0.920) 1.743 11.624 ( 0.705 1.303 0.920) 1.743 12.120 ( -2.631 -6.725 -8.201) 10.927 12.120 ( -2.631 -6.725 8.201) 10.927 14.231 ( 9.722 -1.931 -1.167) 9.980 14.231 ( 9.722 -1.931 1.167) 9.980 15.225 ( -0.716 4.768 -3.664) 6.055 15.225 ( -0.716 4.768 3.664) 6.055 16.241 ( 3.527 1.980 -8.506) 9.419 16.241 ( 3.527 1.980 8.506) 9.419 18.150 ( -4.853 -3.674 -1.089) 6.183 18.150 ( -4.853 -3.674 1.089) 6.183 ======================= Grid point 382 (113/120) ======================= q-point: ( 0.22 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( -2.426 8.076 -3.059) 8.970 2.850 ( -2.426 8.076 3.059) 8.970 3.325 ( -7.607 1.189 -3.546) 8.477 3.325 ( -7.607 1.189 3.546) 8.477 3.424 ( 0.365 9.015 -7.196) 11.541 3.424 ( 0.365 9.015 7.196) 11.541 3.733 ( -2.709 -0.302 -0.754) 2.829 3.733 ( -2.709 -0.302 0.754) 2.829 3.839 ( 4.383 -2.222 -2.828) 5.670 3.839 ( 4.383 -2.222 2.828) 5.670 4.538 ( 2.033 -0.563 -8.264) 8.529 4.538 ( 2.033 -0.563 8.264) 8.529 5.018 ( -11.461 2.017 -3.059) 12.033 5.018 ( -11.461 2.017 3.059) 12.033 5.320 ( -2.065 6.824 -3.917) 8.135 5.320 ( -2.065 6.824 3.917) 8.135 5.749 ( 1.844 5.468 -2.866) 6.443 5.749 ( 1.844 5.468 2.866) 6.443 6.099 ( 2.145 6.053 -4.498) 7.840 6.099 ( 2.145 6.053 4.498) 7.840 6.441 ( 4.783 8.282 -7.111) 11.918 6.441 ( 4.783 8.282 7.111) 11.918 6.509 ( 4.896 4.391 -9.078) 11.210 6.509 ( 4.896 4.391 9.078) 11.210 6.887 ( -1.144 6.123 -1.583) 6.427 6.887 ( -1.144 6.123 1.583) 6.427 7.094 ( 0.703 -3.890 -2.780) 4.832 7.094 ( 0.703 -3.890 2.780) 4.832 8.238 ( 11.993 -0.117 -3.113) 12.391 8.238 ( 11.993 -0.117 3.113) 12.391 9.059 ( 5.672 9.994 -2.093) 11.681 9.059 ( 5.672 9.994 2.093) 11.681 9.544 ( -1.344 -7.522 -2.576) 8.064 9.544 ( -1.344 -7.522 2.576) 8.064 10.086 ( -3.611 5.935 -11.399) 13.349 10.086 ( -3.611 5.935 11.399) 13.349 11.645 ( 1.525 1.386 -1.725) 2.688 11.645 ( 1.525 1.386 1.725) 2.688 12.050 ( -4.480 -5.611 -7.692) 10.523 12.050 ( -4.480 -5.611 7.692) 10.523 14.475 ( 14.604 -1.453 -1.233) 14.728 14.475 ( 14.604 -1.453 1.233) 14.728 15.202 ( -1.678 4.016 -3.049) 5.314 15.202 ( -1.678 4.016 3.049) 5.314 16.359 ( 9.285 1.511 -6.902) 11.668 16.359 ( 9.285 1.511 6.902) 11.668 18.007 ( -10.244 -3.480 -0.680) 10.840 18.007 ( -10.244 -3.480 0.680) 10.840 ======================= Grid point 384 (114/120) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -2.819 3.491 -2.549) 5.160 2.795 ( -2.819 3.491 2.549) 5.160 3.160 ( -8.216 -2.745 -3.782) 9.453 3.160 ( -8.216 -2.745 3.782) 9.453 3.459 ( 2.201 9.216 -6.464) 11.470 3.459 ( 2.201 9.216 6.464) 11.470 3.689 ( -1.835 1.479 -1.801) 2.967 3.689 ( -1.835 1.479 1.801) 2.967 3.942 ( 6.162 0.245 -2.235) 6.559 3.942 ( 6.162 0.245 2.235) 6.559 4.494 ( -7.774 -0.288 -4.569) 9.022 4.494 ( -7.774 -0.288 4.569) 9.022 4.889 ( -0.061 3.733 -5.796) 6.894 4.889 ( -0.061 3.733 5.796) 6.894 5.256 ( -4.789 5.249 -4.416) 8.366 5.256 ( -4.789 5.249 4.416) 8.366 5.812 ( 4.449 3.576 -1.851) 6.001 5.812 ( 4.449 3.576 1.851) 6.001 6.120 ( -0.385 2.379 -2.041) 3.158 6.120 ( -0.385 2.379 2.041) 3.158 6.503 ( 2.681 7.588 -5.361) 9.670 6.503 ( 2.681 7.588 5.361) 9.670 6.584 ( 1.923 2.077 -6.161) 6.780 6.584 ( 1.923 2.077 6.161) 6.780 6.894 ( 1.868 9.253 -1.995) 9.648 6.894 ( 1.868 9.253 1.995) 9.648 7.092 ( -0.806 0.585 -3.542) 3.680 7.092 ( -0.806 0.585 3.542) 3.680 8.496 ( 14.305 0.324 -1.800) 14.421 8.496 ( 14.305 0.324 1.800) 14.421 9.105 ( -2.065 7.680 -2.719) 8.404 9.105 ( -2.065 7.680 2.719) 8.404 9.570 ( 4.824 -4.990 -5.024) 8.568 9.570 ( 4.824 -4.990 5.024) 8.568 9.998 ( -5.654 5.020 -10.218) 12.712 9.998 ( -5.654 5.020 10.218) 12.712 11.683 ( 2.461 1.186 -2.678) 3.825 11.683 ( 2.461 1.186 2.678) 3.825 11.956 ( -5.096 -4.127 -6.669) 9.353 11.956 ( -5.096 -4.127 6.669) 9.353 14.747 ( 12.913 -0.051 -1.260) 12.975 14.747 ( 12.913 -0.051 1.260) 12.975 15.158 ( -3.075 3.201 -2.210) 4.959 15.158 ( -3.075 3.201 2.210) 4.959 16.610 ( 16.880 0.139 -4.744) 17.535 16.610 ( 16.880 0.139 4.744) 17.535 17.756 ( -16.002 -3.179 -0.049) 16.315 17.756 ( -16.002 -3.179 0.049) 16.315 ======================= Grid point 386 (115/120) ======================= q-point: ( 0.44 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -0.965 1.899 -1.524) 2.619 2.757 ( -0.965 1.899 1.524) 2.619 3.041 ( -3.545 -6.014 -2.081) 7.284 3.041 ( -3.545 -6.014 2.081) 7.284 3.493 ( 1.062 8.783 -2.846) 9.293 3.493 ( 1.062 8.783 2.846) 9.293 3.664 ( -0.660 2.554 -1.214) 2.903 3.664 ( -0.660 2.554 1.214) 2.903 4.069 ( 6.510 2.130 -1.231) 6.960 4.069 ( 6.510 2.130 1.231) 6.960 4.310 ( -8.798 1.188 -1.928) 9.085 4.310 ( -8.798 1.188 1.928) 9.085 4.960 ( 5.032 3.857 -5.406) 8.332 4.960 ( 5.032 3.857 5.406) 8.332 5.149 ( -5.448 3.585 -4.384) 7.858 5.149 ( -5.448 3.585 4.384) 7.858 5.899 ( 3.732 1.283 -0.801) 4.027 5.899 ( 3.732 1.283 0.801) 4.027 6.086 ( -2.345 -0.267 -0.331) 2.383 6.086 ( -2.345 -0.267 0.331) 2.383 6.552 ( 2.376 6.145 -6.654) 9.363 6.552 ( 2.376 6.145 6.654) 9.363 6.588 ( -1.067 4.399 -7.621) 8.864 6.588 ( -1.067 4.399 7.621) 8.864 6.938 ( 1.870 8.980 -2.656) 9.550 6.938 ( 1.870 8.980 2.656) 9.550 7.070 ( -1.048 4.354 -3.101) 5.447 7.070 ( -1.048 4.354 3.101) 5.447 8.763 ( 13.155 1.202 -1.158) 13.260 8.763 ( 13.155 1.202 1.158) 13.260 8.986 ( -9.492 3.167 -1.857) 10.177 8.986 ( -9.492 3.167 1.857) 10.177 9.708 ( 8.486 0.206 -6.913) 10.947 9.708 ( 8.486 0.206 6.913) 10.947 9.870 ( -7.649 3.179 -8.645) 11.973 9.870 ( -7.649 3.179 8.645) 11.973 11.735 ( 2.472 0.705 -2.663) 3.702 11.735 ( 2.472 0.705 2.663) 3.702 11.868 ( -3.527 -2.834 -4.078) 6.091 11.868 ( -3.527 -2.834 4.078) 6.091 14.951 ( 8.454 1.560 -1.228) 8.684 14.951 ( 8.454 1.560 1.228) 8.684 15.081 ( -5.108 2.431 -1.496) 5.851 15.081 ( -5.108 2.431 1.496) 5.851 16.986 ( 21.550 -1.474 -2.698) 21.768 16.986 ( 21.550 -1.474 2.698) 21.768 17.401 ( -20.618 -2.662 -1.134) 20.820 17.401 ( -20.618 -2.662 1.134) 20.820 ======================= Grid point 396 (116/120) ======================= q-point: ( 0.00 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 0.000 8.850 -2.546) 9.209 3.130 ( 0.000 8.850 2.546) 9.209 3.544 ( 0.000 6.126 -4.370) 7.525 3.544 ( 0.000 6.126 4.370) 7.525 3.560 ( 0.000 -5.187 -0.635) 5.226 3.560 ( 0.000 -5.187 0.635) 5.226 3.665 ( 0.000 0.865 -4.389) 4.473 3.665 ( 0.000 0.865 4.389) 4.473 3.753 ( 0.000 -3.640 -0.478) 3.671 3.753 ( 0.000 -3.640 0.478) 3.671 4.461 ( 0.000 -0.043 -3.282) 3.283 4.461 ( 0.000 -0.043 3.282) 3.283 5.309 ( 0.000 2.755 -2.706) 3.862 5.309 ( 0.000 2.755 2.706) 3.862 5.456 ( 0.000 -0.370 -3.066) 3.088 5.456 ( 0.000 -0.370 3.066) 3.088 5.799 ( 0.000 -0.403 -0.944) 1.027 5.799 ( 0.000 -0.403 0.944) 1.027 6.252 ( 0.000 7.862 -1.550) 8.014 6.252 ( 0.000 7.862 1.550) 8.014 6.320 ( 0.000 3.084 -0.228) 3.092 6.320 ( 0.000 3.084 0.228) 3.092 6.547 ( 0.000 4.212 -0.107) 4.213 6.547 ( 0.000 4.212 0.107) 4.213 6.843 ( 0.000 -8.421 -6.218) 10.468 6.843 ( 0.000 -8.421 6.218) 10.468 7.060 ( 0.000 3.757 -1.542) 4.061 7.060 ( 0.000 3.757 1.542) 4.061 7.979 ( 0.000 -0.390 -1.563) 1.611 7.979 ( 0.000 -0.390 1.563) 1.611 9.021 ( 0.000 3.174 -0.163) 3.178 9.021 ( 0.000 3.174 0.163) 3.178 9.474 ( 0.000 -3.936 -0.596) 3.981 9.474 ( 0.000 -3.936 0.596) 3.981 10.275 ( 0.000 3.745 -4.511) 5.863 10.275 ( 0.000 3.745 4.511) 5.863 11.635 ( 0.000 0.503 -0.020) 0.504 11.635 ( 0.000 0.503 0.020) 0.504 12.047 ( 0.000 -2.606 -2.958) 3.942 12.047 ( 0.000 -2.606 2.958) 3.942 14.106 ( 0.000 -0.728 -0.397) 0.829 14.106 ( 0.000 -0.728 0.397) 0.829 15.293 ( 0.000 1.377 -1.280) 1.880 15.293 ( 0.000 1.377 1.280) 1.880 16.235 ( 0.000 0.603 -2.903) 2.965 16.235 ( 0.000 0.603 2.903) 2.965 18.145 ( 0.000 -1.332 -0.358) 1.379 18.145 ( 0.000 -1.332 0.358) 1.379 ======================= Grid point 398 (117/120) ======================= q-point: ( 0.11 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -4.453 6.760 -2.256) 8.403 3.087 ( -4.453 6.760 2.256) 8.403 3.479 ( -5.718 -0.133 -1.550) 5.926 3.479 ( -5.718 -0.133 1.550) 5.926 3.585 ( 0.612 5.642 -3.897) 6.884 3.585 ( 0.612 5.642 3.897) 6.884 3.687 ( 2.782 -2.441 -3.813) 5.314 3.687 ( 2.782 -2.441 3.813) 5.314 3.739 ( -0.861 -3.171 -0.609) 3.342 3.739 ( -0.861 -3.171 0.609) 3.342 4.482 ( 2.081 -0.204 -3.374) 3.970 4.482 ( 2.081 -0.204 3.374) 3.970 5.232 ( -7.999 0.822 -1.624) 8.204 5.232 ( -7.999 0.822 1.624) 8.204 5.442 ( -1.103 1.626 -2.289) 3.017 5.442 ( -1.103 1.626 2.289) 3.017 5.801 ( 0.761 0.861 -1.365) 1.784 5.801 ( 0.761 0.861 1.365) 1.784 6.225 ( -2.229 6.637 -4.090) 8.108 6.225 ( -2.229 6.637 4.090) 8.108 6.385 ( 5.164 -0.008 -2.998) 5.971 6.385 ( 5.164 -0.008 2.998) 5.971 6.574 ( 2.594 5.218 -1.686) 6.067 6.574 ( 2.595 5.218 1.686) 6.067 6.869 ( 2.666 -6.102 -5.154) 8.420 6.869 ( 2.666 -6.102 5.154) 8.420 7.068 ( 0.872 3.331 -1.634) 3.811 7.068 ( 0.872 3.331 1.634) 3.811 8.047 ( 6.895 -0.289 -1.460) 7.054 8.047 ( 6.895 -0.289 1.460) 7.054 9.080 ( 5.880 3.599 -0.413) 6.906 9.080 ( 5.880 3.599 0.413) 6.906 9.448 ( -2.647 -4.311 -0.788) 5.120 9.448 ( -2.647 -4.311 0.788) 5.120 10.255 ( -2.046 3.651 -4.412) 6.081 10.255 ( -2.046 3.651 4.412) 6.081 11.643 ( 0.821 0.543 -0.378) 1.055 11.643 ( 0.821 0.543 0.378) 1.055 12.026 ( -2.051 -2.461 -2.925) 4.338 12.026 ( -2.051 -2.461 2.925) 4.338 14.203 ( 9.752 -0.745 -0.394) 9.789 14.203 ( 9.752 -0.745 0.394) 9.789 15.283 ( -1.107 1.284 -1.204) 2.079 15.283 ( -1.107 1.284 1.204) 2.079 16.266 ( 3.403 0.574 -2.712) 4.389 16.266 ( 3.403 0.574 2.712) 4.389 18.099 ( -4.777 -1.319 -0.318) 4.966 18.099 ( -4.777 -1.319 0.318) 4.966 ======================= Grid point 400 (118/120) ======================= q-point: ( 0.22 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -6.852 3.539 -1.585) 7.873 2.972 ( -6.852 3.539 1.585) 7.873 3.319 ( -10.478 -0.728 -1.160) 10.567 3.319 ( -10.478 -0.728 1.160) 10.567 3.596 ( 0.862 7.300 -4.713) 8.732 3.596 ( 0.862 7.300 4.713) 8.732 3.704 ( -0.774 -3.065 -2.200) 3.852 3.704 ( -0.774 -3.065 2.200) 3.852 3.799 ( 6.518 -1.407 -1.256) 6.786 3.799 ( 6.518 -1.407 1.256) 6.786 4.523 ( 1.309 -0.575 -3.138) 3.448 4.523 ( 1.309 -0.575 3.138) 3.448 5.045 ( -9.622 0.744 -1.369) 9.747 5.045 ( -9.622 0.744 1.369) 9.747 5.406 ( -3.055 1.987 -1.658) 4.004 5.406 ( -3.055 1.987 1.658) 4.004 5.832 ( 2.248 2.499 -1.316) 3.610 5.832 ( 2.248 2.499 1.316) 3.610 6.173 ( -3.207 1.620 -2.444) 4.346 6.173 ( -3.207 1.620 2.444) 4.346 6.481 ( 4.699 -0.769 -3.179) 5.725 6.481 ( 4.699 -0.769 3.179) 5.725 6.630 ( 2.792 4.904 -4.227) 7.050 6.630 ( 2.792 4.904 4.227) 7.050 6.939 ( 4.361 -0.917 -2.385) 5.054 6.939 ( 4.361 -0.917 2.385) 5.054 7.093 ( 1.612 2.314 -2.138) 3.539 7.093 ( 1.612 2.314 2.138) 3.539 8.233 ( 12.189 -0.194 -1.126) 12.243 8.233 ( 12.189 -0.194 1.126) 12.243 9.222 ( 7.134 6.241 -1.824) 9.652 9.222 ( 7.134 6.241 1.824) 9.652 9.385 ( -2.437 -6.750 -2.347) 7.550 9.385 ( -2.437 -6.750 2.347) 7.550 10.195 ( -4.334 3.324 -4.128) 6.846 10.195 ( -4.334 3.324 4.128) 6.846 11.666 ( 1.577 0.617 -0.757) 1.855 11.666 ( 1.577 0.617 0.757) 1.855 11.972 ( -3.494 -2.067 -2.798) 4.930 11.972 ( -3.494 -2.067 2.798) 4.930 14.452 ( 15.161 -0.659 -0.402) 15.180 14.452 ( 15.161 -0.659 0.402) 15.180 15.251 ( -2.249 1.054 -1.001) 2.677 15.251 ( -2.249 1.054 1.001) 2.677 16.378 ( 8.635 0.391 -2.203) 8.920 16.378 ( 8.635 0.391 2.203) 8.920 17.958 ( -10.104 -1.282 -0.190) 10.186 17.958 ( -10.104 -1.282 0.190) 10.186 ======================= Grid point 402 (119/120) ======================= q-point: ( 0.33 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -4.725 1.966 -1.241) 5.266 2.854 ( -4.725 1.966 1.241) 5.266 3.107 ( -10.891 -1.886 -1.536) 11.160 3.107 ( -10.891 -1.886 1.536) 11.160 3.616 ( 1.094 6.026 -3.815) 7.216 3.616 ( 1.094 6.026 3.815) 7.216 3.692 ( -0.438 -1.482 -1.227) 1.973 3.692 ( -0.438 -1.482 1.227) 1.973 3.942 ( 8.187 -0.137 -0.967) 8.245 3.942 ( 8.187 -0.137 0.967) 8.245 4.482 ( -6.483 -0.562 -1.815) 6.756 4.482 ( -6.483 -0.562 1.815) 6.756 4.943 ( 0.098 1.465 -2.246) 2.683 4.943 ( 0.098 1.465 2.246) 2.683 5.317 ( -6.238 1.211 -1.859) 6.620 5.317 ( -6.238 1.211 1.859) 6.620 5.880 ( 2.708 2.735 -0.914) 3.956 5.880 ( 2.708 2.735 0.914) 3.956 6.104 ( -3.893 -2.229 -0.907) 4.577 6.104 ( -3.893 -2.229 0.907) 4.577 6.565 ( 4.101 0.960 -1.055) 4.342 6.565 ( 4.101 0.960 1.055) 4.342 6.669 ( 1.141 3.443 -4.681) 5.922 6.669 ( 1.141 3.443 4.681) 5.922 7.022 ( 4.023 2.782 -0.985) 4.990 7.022 ( 4.023 2.782 0.985) 4.990 7.121 ( 1.096 1.672 -2.865) 3.494 7.121 ( 1.096 1.672 2.865) 3.494 8.493 ( 14.440 -0.225 -0.683) 14.457 8.493 ( 14.440 -0.225 0.683) 14.457 9.195 ( -7.708 1.634 -1.468) 8.015 9.195 ( -7.708 1.634 1.468) 8.015 9.496 ( 11.291 -1.695 -2.617) 11.714 9.496 ( 11.291 -1.695 2.617) 11.714 10.087 ( -6.972 2.701 -3.693) 8.339 10.087 ( -6.972 2.701 3.693) 8.339 11.703 ( 2.275 0.633 -1.155) 2.629 11.703 ( 2.275 0.633 1.155) 2.629 11.899 ( -3.992 -1.533 -2.519) 4.963 11.899 ( -3.992 -1.533 2.519) 4.963 14.740 ( 14.007 -0.296 -0.420) 14.017 14.740 ( 14.007 -0.296 0.420) 14.017 15.195 ( -3.613 0.789 -0.741) 3.771 15.195 ( -3.613 0.789 0.741) 3.771 16.609 ( 15.690 -0.072 -1.534) 15.764 16.609 ( 15.690 -0.072 1.534) 15.765 17.710 ( -15.753 -1.205 -0.046) 15.799 17.710 ( -15.753 -1.205 0.046) 15.799 ======================= Grid point 404 (120/120) ======================= q-point: ( 0.44 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -0.154 2.755 -1.083) 2.964 2.809 ( -0.154 2.755 1.083) 2.964 2.935 ( -6.034 -4.112 -1.284) 7.414 2.935 ( -6.034 -4.112 1.284) 7.414 3.633 ( 0.501 4.902 -1.555) 5.167 3.633 ( 0.501 4.902 1.555) 5.167 3.686 ( -0.136 -0.568 -0.373) 0.693 3.686 ( -0.136 -0.568 0.373) 0.693 4.108 ( 8.959 1.410 -0.647) 9.093 4.108 ( 8.959 1.410 0.647) 9.093 4.312 ( -9.697 -0.549 -0.916) 9.755 4.312 ( -9.697 -0.549 0.916) 9.755 5.020 ( 6.391 1.882 -2.580) 7.144 5.020 ( 6.391 1.882 2.580) 7.144 5.179 ( -7.539 0.116 -2.223) 7.861 5.179 ( -7.539 0.116 2.223) 7.861 5.933 ( 2.552 2.117 -0.507) 3.355 5.933 ( 2.552 2.117 0.507) 3.355 6.032 ( -3.126 -3.402 -0.346) 4.634 6.032 ( -3.126 -3.402 0.346) 4.633 6.633 ( 2.742 2.264 -1.643) 3.917 6.633 ( 2.742 2.264 1.643) 3.917 6.672 ( -0.778 2.477 -3.464) 4.329 6.672 ( -0.778 2.477 3.464) 4.329 7.081 ( 1.840 4.528 -1.391) 5.082 7.081 ( 1.840 4.528 1.391) 5.082 7.131 ( 0.057 1.173 -2.117) 2.421 7.131 ( 0.057 1.173 2.117) 2.421 8.767 ( 13.749 -0.232 -0.418) 13.758 8.767 ( 13.749 -0.232 0.418) 13.758 9.009 ( -11.380 0.006 -0.643) 11.398 9.009 ( -11.380 0.006 0.643) 11.398 9.721 ( 11.629 0.659 -2.647) 11.944 9.721 ( 11.629 0.659 2.647) 11.944 9.927 ( -9.665 1.797 -3.158) 10.326 9.927 ( -9.665 1.797 3.158) 10.326 11.752 ( 2.696 0.764 -1.443) 3.152 11.752 ( 2.696 0.764 1.443) 3.152 11.826 ( -3.381 -1.288 -1.929) 4.100 11.826 ( -3.381 -1.288 1.929) 4.100 14.965 ( 9.418 0.184 -0.432) 9.430 14.965 ( 9.418 0.184 0.432) 9.430 15.108 ( -5.735 0.523 -0.524) 5.782 15.108 ( -5.735 0.523 0.524) 5.782 16.964 ( 20.609 -0.623 -0.895) 20.638 16.964 ( 20.609 -0.623 0.895) 20.638 17.363 ( -20.152 -1.039 -0.396) 20.182 17.363 ( -20.152 -1.039 0.396) 20.182 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25920 10.0 2245.113 1285.086 553.633 0.000 0.000 0.000 3/25920 20.0 591.382 493.329 308.438 0.000 0.000 0.000 3/25920 30.0 229.778 197.834 125.458 0.000 0.000 0.000 3/25920 40.0 112.173 105.561 63.680 0.000 0.000 0.000 3/25920 50.0 66.090 67.787 38.797 0.000 0.000 0.000 3/25920 60.0 44.363 48.861 26.747 0.000 0.000 0.000 3/25920 70.0 32.542 37.878 20.034 0.000 0.000 0.000 3/25920 80.0 25.383 30.801 15.881 0.000 0.000 0.000 3/25920 90.0 20.685 25.888 13.101 0.000 0.000 0.000 3/25920 100.0 17.409 22.291 11.128 0.000 0.000 0.000 3/25920 110.0 15.013 19.552 9.662 0.000 0.000 0.000 3/25920 120.0 13.195 17.402 8.534 0.000 0.000 0.000 3/25920 130.0 11.773 15.673 7.641 0.000 0.000 0.000 3/25920 140.0 10.634 14.255 6.918 0.000 0.000 0.000 3/25920 150.0 9.701 13.073 6.321 0.000 0.000 0.000 3/25920 160.0 8.925 12.074 5.821 0.000 0.000 0.000 3/25920 170.0 8.269 11.218 5.395 0.000 0.000 0.000 3/25920 180.0 7.707 10.478 5.029 0.000 0.000 0.000 3/25920 190.0 7.221 9.831 4.710 0.000 0.000 0.000 3/25920 200.0 6.795 9.261 4.431 0.000 0.000 0.000 3/25920 210.0 6.420 8.755 4.184 0.000 0.000 0.000 3/25920 220.0 6.087 8.304 3.964 0.000 0.000 0.000 3/25920 230.0 5.788 7.897 3.766 0.000 0.000 0.000 3/25920 240.0 5.519 7.530 3.588 0.000 0.000 0.000 3/25920 250.0 5.275 7.196 3.427 0.000 0.000 0.000 3/25920 260.0 5.053 6.892 3.280 0.000 0.000 0.000 3/25920 270.0 4.850 6.613 3.145 0.000 0.000 0.000 3/25920 280.0 4.663 6.356 3.021 0.000 0.000 0.000 3/25920 290.0 4.491 6.119 2.907 0.000 0.000 0.000 3/25920 300.0 4.331 5.900 2.802 0.000 0.000 0.000 3/25920 310.0 4.183 5.696 2.704 0.000 0.000 0.000 3/25920 320.0 4.046 5.506 2.613 0.000 0.000 0.000 3/25920 330.0 3.917 5.329 2.528 0.000 0.000 0.000 3/25920 340.0 3.796 5.163 2.449 0.000 0.000 0.000 3/25920 350.0 3.683 5.007 2.374 0.000 0.000 0.000 3/25920 360.0 3.577 4.861 2.304 0.000 0.000 0.000 3/25920 370.0 3.477 4.723 2.238 0.000 0.000 0.000 3/25920 380.0 3.382 4.593 2.176 0.000 0.000 0.000 3/25920 390.0 3.293 4.470 2.118 0.000 0.000 0.000 3/25920 400.0 3.208 4.353 2.062 0.000 0.000 0.000 3/25920 410.0 3.128 4.243 2.009 0.000 0.000 0.000 3/25920 420.0 3.052 4.138 1.959 0.000 0.000 0.000 3/25920 430.0 2.979 4.038 1.912 0.000 0.000 0.000 3/25920 440.0 2.910 3.943 1.867 0.000 0.000 0.000 3/25920 450.0 2.844 3.853 1.824 0.000 0.000 0.000 3/25920 460.0 2.781 3.767 1.783 0.000 0.000 0.000 3/25920 470.0 2.721 3.684 1.743 0.000 0.000 0.000 3/25920 480.0 2.663 3.605 1.706 0.000 0.000 0.000 3/25920 490.0 2.608 3.530 1.670 0.000 0.000 0.000 3/25920 500.0 2.555 3.457 1.636 0.000 0.000 0.000 3/25920 510.0 2.504 3.388 1.603 0.000 0.000 0.000 3/25920 520.0 2.455 3.321 1.571 0.000 0.000 0.000 3/25920 530.0 2.409 3.257 1.540 0.000 0.000 0.000 3/25920 540.0 2.363 3.196 1.511 0.000 0.000 0.000 3/25920 550.0 2.320 3.136 1.483 0.000 0.000 0.000 3/25920 560.0 2.278 3.079 1.456 0.000 0.000 0.000 3/25920 570.0 2.238 3.024 1.430 0.000 0.000 0.000 3/25920 580.0 2.199 2.971 1.405 0.000 0.000 0.000 3/25920 590.0 2.161 2.920 1.380 0.000 0.000 0.000 3/25920 600.0 2.125 2.870 1.357 0.000 0.000 0.000 3/25920 610.0 2.090 2.822 1.334 0.000 0.000 0.000 3/25920 620.0 2.056 2.776 1.312 0.000 0.000 0.000 3/25920 630.0 2.023 2.732 1.291 0.000 0.000 0.000 3/25920 640.0 1.991 2.688 1.270 0.000 0.000 0.000 3/25920 650.0 1.960 2.646 1.251 0.000 0.000 0.000 3/25920 660.0 1.930 2.606 1.231 0.000 0.000 0.000 3/25920 670.0 1.901 2.566 1.213 0.000 0.000 0.000 3/25920 680.0 1.873 2.528 1.195 0.000 0.000 0.000 3/25920 690.0 1.846 2.491 1.177 0.000 0.000 0.000 3/25920 700.0 1.820 2.455 1.160 0.000 0.000 0.000 3/25920 710.0 1.794 2.420 1.143 0.000 0.000 0.000 3/25920 720.0 1.769 2.386 1.127 0.000 0.000 0.000 3/25920 730.0 1.744 2.353 1.112 0.000 0.000 0.000 3/25920 740.0 1.721 2.321 1.096 0.000 0.000 0.000 3/25920 750.0 1.698 2.290 1.082 0.000 0.000 0.000 3/25920 760.0 1.675 2.259 1.067 0.000 0.000 0.000 3/25920 770.0 1.653 2.230 1.053 0.000 0.000 0.000 3/25920 780.0 1.632 2.201 1.040 0.000 0.000 0.000 3/25920 790.0 1.611 2.173 1.026 0.000 0.000 0.000 3/25920 800.0 1.591 2.145 1.013 0.000 0.000 0.000 3/25920 810.0 1.572 2.119 1.001 0.000 0.000 0.000 3/25920 820.0 1.552 2.093 0.988 0.000 0.000 0.000 3/25920 830.0 1.534 2.067 0.976 0.000 0.000 0.000 3/25920 840.0 1.515 2.042 0.965 0.000 0.000 0.000 3/25920 850.0 1.497 2.018 0.953 0.000 0.000 0.000 3/25920 860.0 1.480 1.995 0.942 0.000 0.000 0.000 3/25920 870.0 1.463 1.972 0.931 0.000 0.000 0.000 3/25920 880.0 1.446 1.949 0.920 0.000 0.000 0.000 3/25920 890.0 1.430 1.927 0.910 0.000 0.000 0.000 3/25920 900.0 1.414 1.905 0.900 0.000 0.000 0.000 3/25920 910.0 1.398 1.884 0.890 0.000 0.000 0.000 3/25920 920.0 1.383 1.864 0.880 0.000 0.000 0.000 3/25920 930.0 1.368 1.844 0.870 0.000 0.000 0.000 3/25920 940.0 1.354 1.824 0.861 0.000 0.000 0.000 3/25920 950.0 1.339 1.805 0.852 0.000 0.000 0.000 3/25920 960.0 1.326 1.786 0.843 0.000 0.000 0.000 3/25920 970.0 1.312 1.767 0.834 0.000 0.000 0.000 3/25920 980.0 1.298 1.749 0.826 0.000 0.000 0.000 3/25920 990.0 1.285 1.731 0.817 0.000 0.000 0.000 3/25920 1000.0 1.272 1.714 0.809 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m9154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:01:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|