----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:22:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.161052310001081 0.000000000000000 0.000000000000000 b 0.000000000000000 5.132991290000001 0.000000000000000 c -0.899618911535301 0.000000000000000 5.143227962193814 Atomic positions (fractional): *1 O 0.04380585711570 0.24615375091611 0.51186410734231 15.999 2 O 0.04380585711570 0.25384624908389 0.01186410734231 15.999 3 O 0.95619414288430 0.75384624908389 0.48813589265769 15.999 4 O 0.95619414288430 0.74615375091611 0.98813589265769 15.999 *5 F 0.44241929673892 0.82750433600940 0.15932368280976 18.998 6 F 0.44241929673892 0.67249566399060 0.65932368280976 18.998 7 F 0.55758070326108 0.17249566399060 0.84067631719024 18.998 8 F 0.55758070326108 0.32750433600940 0.34067631719024 18.998 *9 Sc 0.80812493420210 0.47204966752979 0.71216061053609 44.956 10 Sc 0.19187506579790 0.97204966752979 0.78783938946391 44.956 11 Sc 0.19187506579790 0.52795033247021 0.28783938946391 44.956 12 Sc 0.80812493420210 0.02795033247021 0.21216061053609 44.956 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.161052310001081 0.000000000000000 0.000000000000000 b 0.000000000000000 5.132991290000001 0.000000000000000 c -0.899618911535301 0.000000000000000 5.143227962193814 Atomic positions (fractional): *1 O 0.04380585711570 0.24615375091611 0.51186410734231 15.999 > 1 2 O 0.04380585711570 0.25384624908389 0.01186410734231 15.999 > 2 3 O 0.95619414288430 0.75384624908389 0.48813589265769 15.999 > 3 4 O 0.95619414288430 0.74615375091611 0.98813589265769 15.999 > 4 *5 F 0.44241929673892 0.82750433600940 0.15932368280976 18.998 > 5 6 F 0.44241929673892 0.67249566399060 0.65932368280976 18.998 > 6 7 F 0.55758070326108 0.17249566399060 0.84067631719024 18.998 > 7 8 F 0.55758070326108 0.32750433600940 0.34067631719024 18.998 > 8 *9 Sc 0.80812493420210 0.47204966752979 0.71216061053609 44.956 > 9 10 Sc 0.19187506579790 0.97204966752979 0.78783938946391 44.956 > 10 11 Sc 0.19187506579790 0.52795033247021 0.28783938946391 44.956 > 11 12 Sc 0.80812493420210 0.02795033247021 0.21216061053609 44.956 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.322104620002161 0.000000000000000 0.000000000000000 b 0.000000000000000 15.398973870000004 0.000000000000000 c -1.799237823070602 0.000000000000000 10.286455924387628 Atomic positions (fractional): *1 O 0.02190292855785 0.08205125030537 0.25593205367116 15.999 > 1 2 O 0.52190292855785 0.08205125030537 0.25593205367116 15.999 > 1 3 O 0.02190292855785 0.41538458363870 0.25593205367116 15.999 > 1 4 O 0.52190292855785 0.41538458363870 0.25593205367116 15.999 > 1 5 O 0.02190292855785 0.74871791697204 0.25593205367116 15.999 > 1 6 O 0.52190292855785 0.74871791697204 0.25593205367116 15.999 > 1 7 O 0.02190292855785 0.08205125030537 0.75593205367116 15.999 > 1 8 O 0.52190292855785 0.08205125030537 0.75593205367116 15.999 > 1 9 O 0.02190292855785 0.41538458363870 0.75593205367116 15.999 > 1 10 O 0.52190292855785 0.41538458363870 0.75593205367116 15.999 > 1 11 O 0.02190292855785 0.74871791697204 0.75593205367116 15.999 > 1 12 O 0.52190292855785 0.74871791697204 0.75593205367116 15.999 > 1 13 O 0.02190292855785 0.08461541636130 0.00593205367116 15.999 > 2 14 O 0.52190292855785 0.08461541636130 0.00593205367116 15.999 > 2 15 O 0.02190292855785 0.41794874969463 0.00593205367116 15.999 > 2 16 O 0.52190292855785 0.41794874969463 0.00593205367116 15.999 > 2 17 O 0.02190292855785 0.75128208302796 0.00593205367116 15.999 > 2 18 O 0.52190292855785 0.75128208302796 0.00593205367116 15.999 > 2 19 O 0.02190292855785 0.08461541636130 0.50593205367116 15.999 > 2 20 O 0.52190292855785 0.08461541636130 0.50593205367116 15.999 > 2 21 O 0.02190292855785 0.41794874969463 0.50593205367116 15.999 > 2 22 O 0.52190292855785 0.41794874969463 0.50593205367116 15.999 > 2 23 O 0.02190292855785 0.75128208302796 0.50593205367116 15.999 > 2 24 O 0.52190292855785 0.75128208302796 0.50593205367116 15.999 > 2 25 O 0.47809707144215 0.25128208302796 0.24406794632884 15.999 > 3 26 O 0.97809707144215 0.25128208302796 0.24406794632884 15.999 > 3 27 O 0.47809707144215 0.58461541636130 0.24406794632884 15.999 > 3 28 O 0.97809707144215 0.58461541636130 0.24406794632884 15.999 > 3 29 O 0.47809707144215 0.91794874969463 0.24406794632884 15.999 > 3 30 O 0.97809707144215 0.91794874969463 0.24406794632884 15.999 > 3 31 O 0.47809707144215 0.25128208302796 0.74406794632884 15.999 > 3 32 O 0.97809707144215 0.25128208302796 0.74406794632884 15.999 > 3 33 O 0.47809707144215 0.58461541636130 0.74406794632884 15.999 > 3 34 O 0.97809707144215 0.58461541636130 0.74406794632884 15.999 > 3 35 O 0.47809707144215 0.91794874969463 0.74406794632884 15.999 > 3 36 O 0.97809707144215 0.91794874969463 0.74406794632884 15.999 > 3 37 O 0.47809707144215 0.24871791697204 0.49406794632884 15.999 > 4 38 O 0.97809707144215 0.24871791697204 0.49406794632884 15.999 > 4 39 O 0.47809707144215 0.58205125030537 0.49406794632884 15.999 > 4 40 O 0.97809707144215 0.58205125030537 0.49406794632884 15.999 > 4 41 O 0.47809707144215 0.91538458363870 0.49406794632884 15.999 > 4 42 O 0.97809707144215 0.91538458363870 0.49406794632884 15.999 > 4 43 O 0.47809707144215 0.24871791697204 0.99406794632884 15.999 > 4 44 O 0.97809707144215 0.24871791697204 0.99406794632884 15.999 > 4 45 O 0.47809707144215 0.58205125030537 0.99406794632884 15.999 > 4 46 O 0.97809707144215 0.58205125030537 0.99406794632884 15.999 > 4 47 O 0.47809707144215 0.91538458363870 0.99406794632884 15.999 > 4 48 O 0.97809707144215 0.91538458363870 0.99406794632884 15.999 > 4 *49 F 0.22120964836946 0.27583477866980 0.07966184140488 18.998 > 5 50 F 0.72120964836946 0.27583477866980 0.07966184140488 18.998 > 5 51 F 0.22120964836946 0.60916811200313 0.07966184140488 18.998 > 5 52 F 0.72120964836946 0.60916811200313 0.07966184140488 18.998 > 5 53 F 0.22120964836946 0.94250144533647 0.07966184140488 18.998 > 5 54 F 0.72120964836946 0.94250144533647 0.07966184140488 18.998 > 5 55 F 0.22120964836946 0.27583477866980 0.57966184140488 18.998 > 5 56 F 0.72120964836946 0.27583477866980 0.57966184140488 18.998 > 5 57 F 0.22120964836946 0.60916811200313 0.57966184140488 18.998 > 5 58 F 0.72120964836946 0.60916811200313 0.57966184140488 18.998 > 5 59 F 0.22120964836946 0.94250144533647 0.57966184140488 18.998 > 5 60 F 0.72120964836946 0.94250144533647 0.57966184140488 18.998 > 5 61 F 0.22120964836946 0.22416522133020 0.32966184140488 18.998 > 6 62 F 0.72120964836946 0.22416522133020 0.32966184140488 18.998 > 6 63 F 0.22120964836946 0.55749855466353 0.32966184140488 18.998 > 6 64 F 0.72120964836946 0.55749855466353 0.32966184140488 18.998 > 6 65 F 0.22120964836946 0.89083188799687 0.32966184140488 18.998 > 6 66 F 0.72120964836946 0.89083188799687 0.32966184140488 18.998 > 6 67 F 0.22120964836946 0.22416522133020 0.82966184140488 18.998 > 6 68 F 0.72120964836946 0.22416522133020 0.82966184140488 18.998 > 6 69 F 0.22120964836946 0.55749855466353 0.82966184140488 18.998 > 6 70 F 0.72120964836946 0.55749855466353 0.82966184140488 18.998 > 6 71 F 0.22120964836946 0.89083188799687 0.82966184140488 18.998 > 6 72 F 0.72120964836946 0.89083188799687 0.82966184140488 18.998 > 6 73 F 0.27879035163054 0.05749855466353 0.42033815859512 18.998 > 7 74 F 0.77879035163054 0.05749855466353 0.42033815859512 18.998 > 7 75 F 0.27879035163054 0.39083188799687 0.42033815859512 18.998 > 7 76 F 0.77879035163054 0.39083188799687 0.42033815859512 18.998 > 7 77 F 0.27879035163054 0.72416522133020 0.42033815859512 18.998 > 7 78 F 0.77879035163054 0.72416522133020 0.42033815859512 18.998 > 7 79 F 0.27879035163054 0.05749855466353 0.92033815859512 18.998 > 7 80 F 0.77879035163054 0.05749855466353 0.92033815859512 18.998 > 7 81 F 0.27879035163054 0.39083188799687 0.92033815859512 18.998 > 7 82 F 0.77879035163054 0.39083188799687 0.92033815859512 18.998 > 7 83 F 0.27879035163054 0.72416522133020 0.92033815859512 18.998 > 7 84 F 0.77879035163054 0.72416522133020 0.92033815859512 18.998 > 7 85 F 0.27879035163054 0.10916811200313 0.17033815859512 18.998 > 8 86 F 0.77879035163054 0.10916811200313 0.17033815859512 18.998 > 8 87 F 0.27879035163054 0.44250144533647 0.17033815859512 18.998 > 8 88 F 0.77879035163054 0.44250144533647 0.17033815859512 18.998 > 8 89 F 0.27879035163054 0.77583477866980 0.17033815859512 18.998 > 8 90 F 0.77879035163054 0.77583477866980 0.17033815859512 18.998 > 8 91 F 0.27879035163054 0.10916811200313 0.67033815859512 18.998 > 8 92 F 0.77879035163054 0.10916811200313 0.67033815859512 18.998 > 8 93 F 0.27879035163054 0.44250144533647 0.67033815859512 18.998 > 8 94 F 0.77879035163054 0.44250144533647 0.67033815859512 18.998 > 8 95 F 0.27879035163054 0.77583477866980 0.67033815859512 18.998 > 8 96 F 0.77879035163054 0.77583477866980 0.67033815859512 18.998 > 8 *97 Sc 0.40406246710105 0.15734988917660 0.35608030526805 44.956 > 9 98 Sc 0.90406246710105 0.15734988917660 0.35608030526805 44.956 > 9 99 Sc 0.40406246710105 0.49068322250993 0.35608030526805 44.956 > 9 100 Sc 0.90406246710105 0.49068322250993 0.35608030526805 44.956 > 9 101 Sc 0.40406246710105 0.82401655584326 0.35608030526805 44.956 > 9 102 Sc 0.90406246710105 0.82401655584326 0.35608030526805 44.956 > 9 103 Sc 0.40406246710105 0.15734988917660 0.85608030526805 44.956 > 9 104 Sc 0.90406246710105 0.15734988917660 0.85608030526805 44.956 > 9 105 Sc 0.40406246710105 0.49068322250993 0.85608030526805 44.956 > 9 106 Sc 0.90406246710105 0.49068322250993 0.85608030526805 44.956 > 9 107 Sc 0.40406246710105 0.82401655584326 0.85608030526805 44.956 > 9 108 Sc 0.90406246710105 0.82401655584326 0.85608030526805 44.956 > 9 109 Sc 0.09593753289895 0.32401655584326 0.39391969473195 44.956 > 10 110 Sc 0.59593753289895 0.32401655584326 0.39391969473195 44.956 > 10 111 Sc 0.09593753289895 0.65734988917660 0.39391969473195 44.956 > 10 112 Sc 0.59593753289895 0.65734988917660 0.39391969473195 44.956 > 10 113 Sc 0.09593753289895 0.99068322250993 0.39391969473195 44.956 > 10 114 Sc 0.59593753289895 0.99068322250993 0.39391969473195 44.956 > 10 115 Sc 0.09593753289895 0.32401655584326 0.89391969473195 44.956 > 10 116 Sc 0.59593753289895 0.32401655584326 0.89391969473195 44.956 > 10 117 Sc 0.09593753289895 0.65734988917660 0.89391969473195 44.956 > 10 118 Sc 0.59593753289895 0.65734988917660 0.89391969473195 44.956 > 10 119 Sc 0.09593753289895 0.99068322250993 0.89391969473195 44.956 > 10 120 Sc 0.59593753289895 0.99068322250993 0.89391969473195 44.956 > 10 121 Sc 0.09593753289895 0.17598344415674 0.14391969473195 44.956 > 11 122 Sc 0.59593753289895 0.17598344415674 0.14391969473195 44.956 > 11 123 Sc 0.09593753289895 0.50931677749007 0.14391969473195 44.956 > 11 124 Sc 0.59593753289895 0.50931677749007 0.14391969473195 44.956 > 11 125 Sc 0.09593753289895 0.84265011082340 0.14391969473195 44.956 > 11 126 Sc 0.59593753289895 0.84265011082340 0.14391969473195 44.956 > 11 127 Sc 0.09593753289895 0.17598344415674 0.64391969473195 44.956 > 11 128 Sc 0.59593753289895 0.17598344415674 0.64391969473195 44.956 > 11 129 Sc 0.09593753289895 0.50931677749007 0.64391969473195 44.956 > 11 130 Sc 0.59593753289895 0.50931677749007 0.64391969473195 44.956 > 11 131 Sc 0.09593753289895 0.84265011082340 0.64391969473195 44.956 > 11 132 Sc 0.59593753289895 0.84265011082340 0.64391969473195 44.956 > 11 133 Sc 0.40406246710105 0.00931677749007 0.10608030526805 44.956 > 12 134 Sc 0.90406246710105 0.00931677749007 0.10608030526805 44.956 > 12 135 Sc 0.40406246710105 0.34265011082340 0.10608030526805 44.956 > 12 136 Sc 0.90406246710105 0.34265011082340 0.10608030526805 44.956 > 12 137 Sc 0.40406246710105 0.67598344415674 0.10608030526805 44.956 > 12 138 Sc 0.90406246710105 0.67598344415674 0.10608030526805 44.956 > 12 139 Sc 0.40406246710105 0.00931677749007 0.60608030526805 44.956 > 12 140 Sc 0.90406246710105 0.00931677749007 0.60608030526805 44.956 > 12 141 Sc 0.40406246710105 0.34265011082340 0.60608030526805 44.956 > 12 142 Sc 0.90406246710105 0.34265011082340 0.60608030526805 44.956 > 12 143 Sc 0.40406246710105 0.67598344415674 0.60608030526805 44.956 > 12 144 Sc 0.90406246710105 0.67598344415674 0.60608030526805 44.956 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3306811 0.0000000 -0.0873122 0.0000000 4.0707471 0.0000000 -0.0873122 0.0000000 3.9703300 -------------------------- Born effective charges -------------------------- 1 O -1.4803643 -0.0126920 0.2292284 0.0603245 -2.7714583 0.1688259 0.2233996 0.3311361 -2.6838965 2 O -1.4803643 0.0126920 0.2292284 -0.0603245 -2.7714583 -0.1688259 0.2233996 -0.3311361 -2.6838965 3 O -1.4803643 -0.0126920 0.2292284 0.0603245 -2.7714583 0.1688259 0.2233996 0.3311361 -2.6838965 4 O -1.4803643 0.0126920 0.2292284 -0.0603245 -2.7714583 -0.1688259 0.2233996 -0.3311361 -2.6838965 5 F -1.7525651 -0.4970695 -0.1706775 -0.4965754 -1.2306703 0.2600211 -0.1528979 0.2494270 -1.1053055 6 F -1.7525651 0.4970695 -0.1706775 0.4965754 -1.2306703 -0.2600211 -0.1528979 -0.2494270 -1.1053055 7 F -1.7525651 -0.4970695 -0.1706775 -0.4965754 -1.2306703 0.2600211 -0.1528979 0.2494270 -1.1053055 8 F -1.7525651 0.4970695 -0.1706775 0.4965754 -1.2306703 -0.2600211 -0.1528979 -0.2494270 -1.1053055 9 Sc 3.2329294 0.1128507 -0.0585508 -0.0456435 4.0021285 -0.0236393 -0.0705018 -0.0948623 3.7892019 10 Sc 3.2329294 -0.1128507 -0.0585508 0.0456435 4.0021285 0.0236393 -0.0705018 0.0948623 3.7892019 11 Sc 3.2329294 0.1128507 -0.0585508 -0.0456435 4.0021285 -0.0236393 -0.0705018 -0.0948623 3.7892019 12 Sc 3.2329294 -0.1128507 -0.0585508 0.0456435 4.0021285 0.0236393 -0.0705018 0.0948623 3.7892019 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2008), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 427), data: True |-- (432, 426), data: True |-- (432, 426), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 400 - Time: 4.607 Solver_block: 200 / 400 - Time: 4.624 Solver_block: 300 / 400 - Time: 4.741 Solver_block: 400 / 400 - Time: 4.726 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.987 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2008), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 427), data: True |-- (432, 426), data: True |-- (432, 426), 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 20:22:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:22:50]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.161052310001081 0.000000000000000 0.000000000000000 b 0.000000000000000 5.132991290000001 0.000000000000000 c -0.899618911535301 0.000000000000000 5.143227962193814 Atomic positions (fractional): 1 O 0.04380585711570 0.24615375091611 0.51186410734231 15.999 2 O 0.04380585711570 0.25384624908389 0.01186410734231 15.999 3 O 0.95619414288430 0.75384624908389 0.48813589265769 15.999 4 O 0.95619414288430 0.74615375091611 0.98813589265769 15.999 5 F 0.44241929673892 0.82750433600940 0.15932368280976 18.998 6 F 0.44241929673892 0.67249566399060 0.65932368280976 18.998 7 F 0.55758070326108 0.17249566399060 0.84067631719024 18.998 8 F 0.55758070326108 0.32750433600940 0.34067631719024 18.998 9 Sc 0.80812493420210 0.47204966752979 0.71216061053609 44.956 10 Sc 0.19187506579790 0.97204966752979 0.78783938946391 44.956 11 Sc 0.19187506579790 0.52795033247021 0.28783938946391 44.956 12 Sc 0.80812493420210 0.02795033247021 0.21216061053609 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.322104620002161 0.000000000000000 0.000000000000000 b 0.000000000000000 15.398973870000004 0.000000000000000 c -1.799237823070602 0.000000000000000 10.286455924387628 Atomic positions (fractional): 1 O 0.02190292855785 0.08205125030537 0.25593205367116 15.999 > 1 2 O 0.52190292855785 0.08205125030537 0.25593205367116 15.999 > 1 3 O 0.02190292855785 0.41538458363870 0.25593205367116 15.999 > 1 4 O 0.52190292855785 0.41538458363870 0.25593205367116 15.999 > 1 5 O 0.02190292855785 0.74871791697204 0.25593205367116 15.999 > 1 6 O 0.52190292855785 0.74871791697204 0.25593205367116 15.999 > 1 7 O 0.02190292855785 0.08205125030537 0.75593205367116 15.999 > 1 8 O 0.52190292855785 0.08205125030537 0.75593205367116 15.999 > 1 9 O 0.02190292855785 0.41538458363870 0.75593205367116 15.999 > 1 10 O 0.52190292855785 0.41538458363870 0.75593205367116 15.999 > 1 11 O 0.02190292855785 0.74871791697204 0.75593205367116 15.999 > 1 12 O 0.52190292855785 0.74871791697204 0.75593205367116 15.999 > 1 13 O 0.02190292855785 0.08461541636130 0.00593205367116 15.999 > 13 14 O 0.52190292855785 0.08461541636130 0.00593205367116 15.999 > 13 15 O 0.02190292855785 0.41794874969463 0.00593205367116 15.999 > 13 16 O 0.52190292855785 0.41794874969463 0.00593205367116 15.999 > 13 17 O 0.02190292855785 0.75128208302796 0.00593205367116 15.999 > 13 18 O 0.52190292855785 0.75128208302796 0.00593205367116 15.999 > 13 19 O 0.02190292855785 0.08461541636130 0.50593205367116 15.999 > 13 20 O 0.52190292855785 0.08461541636130 0.50593205367116 15.999 > 13 21 O 0.02190292855785 0.41794874969463 0.50593205367116 15.999 > 13 22 O 0.52190292855785 0.41794874969463 0.50593205367116 15.999 > 13 23 O 0.02190292855785 0.75128208302796 0.50593205367116 15.999 > 13 24 O 0.52190292855785 0.75128208302796 0.50593205367116 15.999 > 13 25 O 0.47809707144215 0.25128208302796 0.24406794632884 15.999 > 25 26 O 0.97809707144215 0.25128208302796 0.24406794632884 15.999 > 25 27 O 0.47809707144215 0.58461541636130 0.24406794632884 15.999 > 25 28 O 0.97809707144215 0.58461541636130 0.24406794632884 15.999 > 25 29 O 0.47809707144215 0.91794874969463 0.24406794632884 15.999 > 25 30 O 0.97809707144215 0.91794874969463 0.24406794632884 15.999 > 25 31 O 0.47809707144215 0.25128208302796 0.74406794632884 15.999 > 25 32 O 0.97809707144215 0.25128208302796 0.74406794632884 15.999 > 25 33 O 0.47809707144215 0.58461541636130 0.74406794632884 15.999 > 25 34 O 0.97809707144215 0.58461541636130 0.74406794632884 15.999 > 25 35 O 0.47809707144215 0.91794874969463 0.74406794632884 15.999 > 25 36 O 0.97809707144215 0.91794874969463 0.74406794632884 15.999 > 25 37 O 0.47809707144215 0.24871791697204 0.49406794632884 15.999 > 37 38 O 0.97809707144215 0.24871791697204 0.49406794632884 15.999 > 37 39 O 0.47809707144215 0.58205125030537 0.49406794632884 15.999 > 37 40 O 0.97809707144215 0.58205125030537 0.49406794632884 15.999 > 37 41 O 0.47809707144215 0.91538458363870 0.49406794632884 15.999 > 37 42 O 0.97809707144215 0.91538458363870 0.49406794632884 15.999 > 37 43 O 0.47809707144215 0.24871791697204 0.99406794632884 15.999 > 37 44 O 0.97809707144215 0.24871791697204 0.99406794632884 15.999 > 37 45 O 0.47809707144215 0.58205125030537 0.99406794632884 15.999 > 37 46 O 0.97809707144215 0.58205125030537 0.99406794632884 15.999 > 37 47 O 0.47809707144215 0.91538458363870 0.99406794632884 15.999 > 37 48 O 0.97809707144215 0.91538458363870 0.99406794632884 15.999 > 37 49 F 0.22120964836946 0.27583477866980 0.07966184140488 18.998 > 49 50 F 0.72120964836946 0.27583477866980 0.07966184140488 18.998 > 49 51 F 0.22120964836946 0.60916811200313 0.07966184140488 18.998 > 49 52 F 0.72120964836946 0.60916811200313 0.07966184140488 18.998 > 49 53 F 0.22120964836946 0.94250144533647 0.07966184140488 18.998 > 49 54 F 0.72120964836946 0.94250144533647 0.07966184140488 18.998 > 49 55 F 0.22120964836946 0.27583477866980 0.57966184140488 18.998 > 49 56 F 0.72120964836946 0.27583477866980 0.57966184140488 18.998 > 49 57 F 0.22120964836946 0.60916811200313 0.57966184140488 18.998 > 49 58 F 0.72120964836946 0.60916811200313 0.57966184140488 18.998 > 49 59 F 0.22120964836946 0.94250144533647 0.57966184140488 18.998 > 49 60 F 0.72120964836946 0.94250144533647 0.57966184140488 18.998 > 49 61 F 0.22120964836946 0.22416522133020 0.32966184140488 18.998 > 61 62 F 0.72120964836946 0.22416522133020 0.32966184140488 18.998 > 61 63 F 0.22120964836946 0.55749855466353 0.32966184140488 18.998 > 61 64 F 0.72120964836946 0.55749855466353 0.32966184140488 18.998 > 61 65 F 0.22120964836946 0.89083188799687 0.32966184140488 18.998 > 61 66 F 0.72120964836946 0.89083188799687 0.32966184140488 18.998 > 61 67 F 0.22120964836946 0.22416522133020 0.82966184140488 18.998 > 61 68 F 0.72120964836946 0.22416522133020 0.82966184140488 18.998 > 61 69 F 0.22120964836946 0.55749855466353 0.82966184140488 18.998 > 61 70 F 0.72120964836946 0.55749855466353 0.82966184140488 18.998 > 61 71 F 0.22120964836946 0.89083188799687 0.82966184140488 18.998 > 61 72 F 0.72120964836946 0.89083188799687 0.82966184140488 18.998 > 61 73 F 0.27879035163054 0.05749855466353 0.42033815859512 18.998 > 73 74 F 0.77879035163054 0.05749855466353 0.42033815859512 18.998 > 73 75 F 0.27879035163054 0.39083188799687 0.42033815859512 18.998 > 73 76 F 0.77879035163054 0.39083188799687 0.42033815859512 18.998 > 73 77 F 0.27879035163054 0.72416522133020 0.42033815859512 18.998 > 73 78 F 0.77879035163054 0.72416522133020 0.42033815859512 18.998 > 73 79 F 0.27879035163054 0.05749855466353 0.92033815859512 18.998 > 73 80 F 0.77879035163054 0.05749855466353 0.92033815859512 18.998 > 73 81 F 0.27879035163054 0.39083188799687 0.92033815859512 18.998 > 73 82 F 0.77879035163054 0.39083188799687 0.92033815859512 18.998 > 73 83 F 0.27879035163054 0.72416522133020 0.92033815859512 18.998 > 73 84 F 0.77879035163054 0.72416522133020 0.92033815859512 18.998 > 73 85 F 0.27879035163054 0.10916811200313 0.17033815859512 18.998 > 85 86 F 0.77879035163054 0.10916811200313 0.17033815859512 18.998 > 85 87 F 0.27879035163054 0.44250144533647 0.17033815859512 18.998 > 85 88 F 0.77879035163054 0.44250144533647 0.17033815859512 18.998 > 85 89 F 0.27879035163054 0.77583477866980 0.17033815859512 18.998 > 85 90 F 0.77879035163054 0.77583477866980 0.17033815859512 18.998 > 85 91 F 0.27879035163054 0.10916811200313 0.67033815859512 18.998 > 85 92 F 0.77879035163054 0.10916811200313 0.67033815859512 18.998 > 85 93 F 0.27879035163054 0.44250144533647 0.67033815859512 18.998 > 85 94 F 0.77879035163054 0.44250144533647 0.67033815859512 18.998 > 85 95 F 0.27879035163054 0.77583477866980 0.67033815859512 18.998 > 85 96 F 0.77879035163054 0.77583477866980 0.67033815859512 18.998 > 85 97 Sc 0.40406246710105 0.15734988917660 0.35608030526805 44.956 > 97 98 Sc 0.90406246710105 0.15734988917660 0.35608030526805 44.956 > 97 99 Sc 0.40406246710105 0.49068322250993 0.35608030526805 44.956 > 97 100 Sc 0.90406246710105 0.49068322250993 0.35608030526805 44.956 > 97 101 Sc 0.40406246710105 0.82401655584326 0.35608030526805 44.956 > 97 102 Sc 0.90406246710105 0.82401655584326 0.35608030526805 44.956 > 97 103 Sc 0.40406246710105 0.15734988917660 0.85608030526805 44.956 > 97 104 Sc 0.90406246710105 0.15734988917660 0.85608030526805 44.956 > 97 105 Sc 0.40406246710105 0.49068322250993 0.85608030526805 44.956 > 97 106 Sc 0.90406246710105 0.49068322250993 0.85608030526805 44.956 > 97 107 Sc 0.40406246710105 0.82401655584326 0.85608030526805 44.956 > 97 108 Sc 0.90406246710105 0.82401655584326 0.85608030526805 44.956 > 97 109 Sc 0.09593753289895 0.32401655584326 0.39391969473195 44.956 > 109 110 Sc 0.59593753289895 0.32401655584326 0.39391969473195 44.956 > 109 111 Sc 0.09593753289895 0.65734988917660 0.39391969473195 44.956 > 109 112 Sc 0.59593753289895 0.65734988917660 0.39391969473195 44.956 > 109 113 Sc 0.09593753289895 0.99068322250993 0.39391969473195 44.956 > 109 114 Sc 0.59593753289895 0.99068322250993 0.39391969473195 44.956 > 109 115 Sc 0.09593753289895 0.32401655584326 0.89391969473195 44.956 > 109 116 Sc 0.59593753289895 0.32401655584326 0.89391969473195 44.956 > 109 117 Sc 0.09593753289895 0.65734988917660 0.89391969473195 44.956 > 109 118 Sc 0.59593753289895 0.65734988917660 0.89391969473195 44.956 > 109 119 Sc 0.09593753289895 0.99068322250993 0.89391969473195 44.956 > 109 120 Sc 0.59593753289895 0.99068322250993 0.89391969473195 44.956 > 109 121 Sc 0.09593753289895 0.17598344415674 0.14391969473195 44.956 > 121 122 Sc 0.59593753289895 0.17598344415674 0.14391969473195 44.956 > 121 123 Sc 0.09593753289895 0.50931677749007 0.14391969473195 44.956 > 121 124 Sc 0.59593753289895 0.50931677749007 0.14391969473195 44.956 > 121 125 Sc 0.09593753289895 0.84265011082340 0.14391969473195 44.956 > 121 126 Sc 0.59593753289895 0.84265011082340 0.14391969473195 44.956 > 121 127 Sc 0.09593753289895 0.17598344415674 0.64391969473195 44.956 > 121 128 Sc 0.59593753289895 0.17598344415674 0.64391969473195 44.956 > 121 129 Sc 0.09593753289895 0.50931677749007 0.64391969473195 44.956 > 121 130 Sc 0.59593753289895 0.50931677749007 0.64391969473195 44.956 > 121 131 Sc 0.09593753289895 0.84265011082340 0.64391969473195 44.956 > 121 132 Sc 0.59593753289895 0.84265011082340 0.64391969473195 44.956 > 121 133 Sc 0.40406246710105 0.00931677749007 0.10608030526805 44.956 > 133 134 Sc 0.90406246710105 0.00931677749007 0.10608030526805 44.956 > 133 135 Sc 0.40406246710105 0.34265011082340 0.10608030526805 44.956 > 133 136 Sc 0.90406246710105 0.34265011082340 0.10608030526805 44.956 > 133 137 Sc 0.40406246710105 0.67598344415674 0.10608030526805 44.956 > 133 138 Sc 0.90406246710105 0.67598344415674 0.10608030526805 44.956 > 133 139 Sc 0.40406246710105 0.00931677749007 0.60608030526805 44.956 > 133 140 Sc 0.90406246710105 0.00931677749007 0.60608030526805 44.956 > 133 141 Sc 0.40406246710105 0.34265011082340 0.60608030526805 44.956 > 133 142 Sc 0.90406246710105 0.34265011082340 0.60608030526805 44.956 > 133 143 Sc 0.40406246710105 0.67598344415674 0.60608030526805 44.956 > 133 144 Sc 0.90406246710105 0.67598344415674 0.60608030526805 44.956 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3306811 0.0000000 -0.0873122 0.0000000 4.0707471 0.0000000 -0.0873122 0.0000000 3.9703300 -------------------------- Born effective charges -------------------------- 1 O -1.4803643 -0.0126920 0.2292284 0.0603245 -2.7714583 0.1688259 0.2233996 0.3311361 -2.6838965 2 O -1.4803643 0.0126920 0.2292284 -0.0603245 -2.7714583 -0.1688259 0.2233996 -0.3311361 -2.6838965 3 O -1.4803643 -0.0126920 0.2292284 0.0603245 -2.7714583 0.1688259 0.2233996 0.3311361 -2.6838965 4 O -1.4803643 0.0126920 0.2292284 -0.0603245 -2.7714583 -0.1688259 0.2233996 -0.3311361 -2.6838965 5 F -1.7525651 -0.4970695 -0.1706775 -0.4965754 -1.2306703 0.2600211 -0.1528979 0.2494270 -1.1053055 6 F -1.7525651 0.4970695 -0.1706775 0.4965754 -1.2306703 -0.2600211 -0.1528979 -0.2494270 -1.1053055 7 F -1.7525651 -0.4970695 -0.1706775 -0.4965754 -1.2306703 0.2600211 -0.1528979 0.2494270 -1.1053055 8 F -1.7525651 0.4970695 -0.1706775 0.4965754 -1.2306703 -0.2600211 -0.1528979 -0.2494270 -1.1053055 9 Sc 3.2329294 0.1128507 -0.0585508 -0.0456435 4.0021285 -0.0236393 -0.0705018 -0.0948623 3.7892019 10 Sc 3.2329294 -0.1128507 -0.0585508 0.0456435 4.0021285 0.0236393 -0.0705018 0.0948623 3.7892019 11 Sc 3.2329294 0.1128507 -0.0585508 -0.0456435 4.0021285 -0.0236393 -0.0705018 -0.0948623 3.7892019 12 Sc 3.2329294 -0.1128507 -0.0585508 0.0456435 4.0021285 0.0236393 -0.0705018 0.0948623 3.7892019 ---------------------------------------------------------------------------- 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 20:23:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:23:12]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.161052310001081 0.000000000000000 0.000000000000000 b 0.000000000000000 5.132991290000001 0.000000000000000 c -0.899618911535301 0.000000000000000 5.143227962193814 Atomic positions (fractional): 1 O 0.04380585711570 0.24615375091611 0.51186410734231 15.999 2 O 0.04380585711570 0.25384624908389 0.01186410734231 15.999 3 O 0.95619414288430 0.75384624908389 0.48813589265769 15.999 4 O 0.95619414288430 0.74615375091611 0.98813589265769 15.999 5 F 0.44241929673892 0.82750433600940 0.15932368280976 18.998 6 F 0.44241929673892 0.67249566399060 0.65932368280976 18.998 7 F 0.55758070326108 0.17249566399060 0.84067631719024 18.998 8 F 0.55758070326108 0.32750433600940 0.34067631719024 18.998 9 Sc 0.80812493420210 0.47204966752979 0.71216061053609 44.956 10 Sc 0.19187506579790 0.97204966752979 0.78783938946391 44.956 11 Sc 0.19187506579790 0.52795033247021 0.28783938946391 44.956 12 Sc 0.80812493420210 0.02795033247021 0.21216061053609 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.322104620002161 0.000000000000000 0.000000000000000 b 0.000000000000000 15.398973870000004 0.000000000000000 c -1.799237823070602 0.000000000000000 10.286455924387628 Atomic positions (fractional): 1 O 0.02190292855785 0.08205125030537 0.25593205367116 15.999 > 1 2 O 0.52190292855785 0.08205125030537 0.25593205367116 15.999 > 1 3 O 0.02190292855785 0.41538458363870 0.25593205367116 15.999 > 1 4 O 0.52190292855785 0.41538458363870 0.25593205367116 15.999 > 1 5 O 0.02190292855785 0.74871791697204 0.25593205367116 15.999 > 1 6 O 0.52190292855785 0.74871791697204 0.25593205367116 15.999 > 1 7 O 0.02190292855785 0.08205125030537 0.75593205367116 15.999 > 1 8 O 0.52190292855785 0.08205125030537 0.75593205367116 15.999 > 1 9 O 0.02190292855785 0.41538458363870 0.75593205367116 15.999 > 1 10 O 0.52190292855785 0.41538458363870 0.75593205367116 15.999 > 1 11 O 0.02190292855785 0.74871791697204 0.75593205367116 15.999 > 1 12 O 0.52190292855785 0.74871791697204 0.75593205367116 15.999 > 1 13 O 0.02190292855785 0.08461541636130 0.00593205367116 15.999 > 13 14 O 0.52190292855785 0.08461541636130 0.00593205367116 15.999 > 13 15 O 0.02190292855785 0.41794874969463 0.00593205367116 15.999 > 13 16 O 0.52190292855785 0.41794874969463 0.00593205367116 15.999 > 13 17 O 0.02190292855785 0.75128208302796 0.00593205367116 15.999 > 13 18 O 0.52190292855785 0.75128208302796 0.00593205367116 15.999 > 13 19 O 0.02190292855785 0.08461541636130 0.50593205367116 15.999 > 13 20 O 0.52190292855785 0.08461541636130 0.50593205367116 15.999 > 13 21 O 0.02190292855785 0.41794874969463 0.50593205367116 15.999 > 13 22 O 0.52190292855785 0.41794874969463 0.50593205367116 15.999 > 13 23 O 0.02190292855785 0.75128208302796 0.50593205367116 15.999 > 13 24 O 0.52190292855785 0.75128208302796 0.50593205367116 15.999 > 13 25 O 0.47809707144215 0.25128208302796 0.24406794632884 15.999 > 25 26 O 0.97809707144215 0.25128208302796 0.24406794632884 15.999 > 25 27 O 0.47809707144215 0.58461541636130 0.24406794632884 15.999 > 25 28 O 0.97809707144215 0.58461541636130 0.24406794632884 15.999 > 25 29 O 0.47809707144215 0.91794874969463 0.24406794632884 15.999 > 25 30 O 0.97809707144215 0.91794874969463 0.24406794632884 15.999 > 25 31 O 0.47809707144215 0.25128208302796 0.74406794632884 15.999 > 25 32 O 0.97809707144215 0.25128208302796 0.74406794632884 15.999 > 25 33 O 0.47809707144215 0.58461541636130 0.74406794632884 15.999 > 25 34 O 0.97809707144215 0.58461541636130 0.74406794632884 15.999 > 25 35 O 0.47809707144215 0.91794874969463 0.74406794632884 15.999 > 25 36 O 0.97809707144215 0.91794874969463 0.74406794632884 15.999 > 25 37 O 0.47809707144215 0.24871791697204 0.49406794632884 15.999 > 37 38 O 0.97809707144215 0.24871791697204 0.49406794632884 15.999 > 37 39 O 0.47809707144215 0.58205125030537 0.49406794632884 15.999 > 37 40 O 0.97809707144215 0.58205125030537 0.49406794632884 15.999 > 37 41 O 0.47809707144215 0.91538458363870 0.49406794632884 15.999 > 37 42 O 0.97809707144215 0.91538458363870 0.49406794632884 15.999 > 37 43 O 0.47809707144215 0.24871791697204 0.99406794632884 15.999 > 37 44 O 0.97809707144215 0.24871791697204 0.99406794632884 15.999 > 37 45 O 0.47809707144215 0.58205125030537 0.99406794632884 15.999 > 37 46 O 0.97809707144215 0.58205125030537 0.99406794632884 15.999 > 37 47 O 0.47809707144215 0.91538458363870 0.99406794632884 15.999 > 37 48 O 0.97809707144215 0.91538458363870 0.99406794632884 15.999 > 37 49 F 0.22120964836946 0.27583477866980 0.07966184140488 18.998 > 49 50 F 0.72120964836946 0.27583477866980 0.07966184140488 18.998 > 49 51 F 0.22120964836946 0.60916811200313 0.07966184140488 18.998 > 49 52 F 0.72120964836946 0.60916811200313 0.07966184140488 18.998 > 49 53 F 0.22120964836946 0.94250144533647 0.07966184140488 18.998 > 49 54 F 0.72120964836946 0.94250144533647 0.07966184140488 18.998 > 49 55 F 0.22120964836946 0.27583477866980 0.57966184140488 18.998 > 49 56 F 0.72120964836946 0.27583477866980 0.57966184140488 18.998 > 49 57 F 0.22120964836946 0.60916811200313 0.57966184140488 18.998 > 49 58 F 0.72120964836946 0.60916811200313 0.57966184140488 18.998 > 49 59 F 0.22120964836946 0.94250144533647 0.57966184140488 18.998 > 49 60 F 0.72120964836946 0.94250144533647 0.57966184140488 18.998 > 49 61 F 0.22120964836946 0.22416522133020 0.32966184140488 18.998 > 61 62 F 0.72120964836946 0.22416522133020 0.32966184140488 18.998 > 61 63 F 0.22120964836946 0.55749855466353 0.32966184140488 18.998 > 61 64 F 0.72120964836946 0.55749855466353 0.32966184140488 18.998 > 61 65 F 0.22120964836946 0.89083188799687 0.32966184140488 18.998 > 61 66 F 0.72120964836946 0.89083188799687 0.32966184140488 18.998 > 61 67 F 0.22120964836946 0.22416522133020 0.82966184140488 18.998 > 61 68 F 0.72120964836946 0.22416522133020 0.82966184140488 18.998 > 61 69 F 0.22120964836946 0.55749855466353 0.82966184140488 18.998 > 61 70 F 0.72120964836946 0.55749855466353 0.82966184140488 18.998 > 61 71 F 0.22120964836946 0.89083188799687 0.82966184140488 18.998 > 61 72 F 0.72120964836946 0.89083188799687 0.82966184140488 18.998 > 61 73 F 0.27879035163054 0.05749855466353 0.42033815859512 18.998 > 73 74 F 0.77879035163054 0.05749855466353 0.42033815859512 18.998 > 73 75 F 0.27879035163054 0.39083188799687 0.42033815859512 18.998 > 73 76 F 0.77879035163054 0.39083188799687 0.42033815859512 18.998 > 73 77 F 0.27879035163054 0.72416522133020 0.42033815859512 18.998 > 73 78 F 0.77879035163054 0.72416522133020 0.42033815859512 18.998 > 73 79 F 0.27879035163054 0.05749855466353 0.92033815859512 18.998 > 73 80 F 0.77879035163054 0.05749855466353 0.92033815859512 18.998 > 73 81 F 0.27879035163054 0.39083188799687 0.92033815859512 18.998 > 73 82 F 0.77879035163054 0.39083188799687 0.92033815859512 18.998 > 73 83 F 0.27879035163054 0.72416522133020 0.92033815859512 18.998 > 73 84 F 0.77879035163054 0.72416522133020 0.92033815859512 18.998 > 73 85 F 0.27879035163054 0.10916811200313 0.17033815859512 18.998 > 85 86 F 0.77879035163054 0.10916811200313 0.17033815859512 18.998 > 85 87 F 0.27879035163054 0.44250144533647 0.17033815859512 18.998 > 85 88 F 0.77879035163054 0.44250144533647 0.17033815859512 18.998 > 85 89 F 0.27879035163054 0.77583477866980 0.17033815859512 18.998 > 85 90 F 0.77879035163054 0.77583477866980 0.17033815859512 18.998 > 85 91 F 0.27879035163054 0.10916811200313 0.67033815859512 18.998 > 85 92 F 0.77879035163054 0.10916811200313 0.67033815859512 18.998 > 85 93 F 0.27879035163054 0.44250144533647 0.67033815859512 18.998 > 85 94 F 0.77879035163054 0.44250144533647 0.67033815859512 18.998 > 85 95 F 0.27879035163054 0.77583477866980 0.67033815859512 18.998 > 85 96 F 0.77879035163054 0.77583477866980 0.67033815859512 18.998 > 85 97 Sc 0.40406246710105 0.15734988917660 0.35608030526805 44.956 > 97 98 Sc 0.90406246710105 0.15734988917660 0.35608030526805 44.956 > 97 99 Sc 0.40406246710105 0.49068322250993 0.35608030526805 44.956 > 97 100 Sc 0.90406246710105 0.49068322250993 0.35608030526805 44.956 > 97 101 Sc 0.40406246710105 0.82401655584326 0.35608030526805 44.956 > 97 102 Sc 0.90406246710105 0.82401655584326 0.35608030526805 44.956 > 97 103 Sc 0.40406246710105 0.15734988917660 0.85608030526805 44.956 > 97 104 Sc 0.90406246710105 0.15734988917660 0.85608030526805 44.956 > 97 105 Sc 0.40406246710105 0.49068322250993 0.85608030526805 44.956 > 97 106 Sc 0.90406246710105 0.49068322250993 0.85608030526805 44.956 > 97 107 Sc 0.40406246710105 0.82401655584326 0.85608030526805 44.956 > 97 108 Sc 0.90406246710105 0.82401655584326 0.85608030526805 44.956 > 97 109 Sc 0.09593753289895 0.32401655584326 0.39391969473195 44.956 > 109 110 Sc 0.59593753289895 0.32401655584326 0.39391969473195 44.956 > 109 111 Sc 0.09593753289895 0.65734988917660 0.39391969473195 44.956 > 109 112 Sc 0.59593753289895 0.65734988917660 0.39391969473195 44.956 > 109 113 Sc 0.09593753289895 0.99068322250993 0.39391969473195 44.956 > 109 114 Sc 0.59593753289895 0.99068322250993 0.39391969473195 44.956 > 109 115 Sc 0.09593753289895 0.32401655584326 0.89391969473195 44.956 > 109 116 Sc 0.59593753289895 0.32401655584326 0.89391969473195 44.956 > 109 117 Sc 0.09593753289895 0.65734988917660 0.89391969473195 44.956 > 109 118 Sc 0.59593753289895 0.65734988917660 0.89391969473195 44.956 > 109 119 Sc 0.09593753289895 0.99068322250993 0.89391969473195 44.956 > 109 120 Sc 0.59593753289895 0.99068322250993 0.89391969473195 44.956 > 109 121 Sc 0.09593753289895 0.17598344415674 0.14391969473195 44.956 > 121 122 Sc 0.59593753289895 0.17598344415674 0.14391969473195 44.956 > 121 123 Sc 0.09593753289895 0.50931677749007 0.14391969473195 44.956 > 121 124 Sc 0.59593753289895 0.50931677749007 0.14391969473195 44.956 > 121 125 Sc 0.09593753289895 0.84265011082340 0.14391969473195 44.956 > 121 126 Sc 0.59593753289895 0.84265011082340 0.14391969473195 44.956 > 121 127 Sc 0.09593753289895 0.17598344415674 0.64391969473195 44.956 > 121 128 Sc 0.59593753289895 0.17598344415674 0.64391969473195 44.956 > 121 129 Sc 0.09593753289895 0.50931677749007 0.64391969473195 44.956 > 121 130 Sc 0.59593753289895 0.50931677749007 0.64391969473195 44.956 > 121 131 Sc 0.09593753289895 0.84265011082340 0.64391969473195 44.956 > 121 132 Sc 0.59593753289895 0.84265011082340 0.64391969473195 44.956 > 121 133 Sc 0.40406246710105 0.00931677749007 0.10608030526805 44.956 > 133 134 Sc 0.90406246710105 0.00931677749007 0.10608030526805 44.956 > 133 135 Sc 0.40406246710105 0.34265011082340 0.10608030526805 44.956 > 133 136 Sc 0.90406246710105 0.34265011082340 0.10608030526805 44.956 > 133 137 Sc 0.40406246710105 0.67598344415674 0.10608030526805 44.956 > 133 138 Sc 0.90406246710105 0.67598344415674 0.10608030526805 44.956 > 133 139 Sc 0.40406246710105 0.00931677749007 0.60608030526805 44.956 > 133 140 Sc 0.90406246710105 0.00931677749007 0.60608030526805 44.956 > 133 141 Sc 0.40406246710105 0.34265011082340 0.60608030526805 44.956 > 133 142 Sc 0.90406246710105 0.34265011082340 0.60608030526805 44.956 > 133 143 Sc 0.40406246710105 0.67598344415674 0.60608030526805 44.956 > 133 144 Sc 0.90406246710105 0.67598344415674 0.60608030526805 44.956 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3306811 0.0000000 -0.0873122 0.0000000 4.0707471 0.0000000 -0.0873122 0.0000000 3.9703300 -------------------------- Born effective charges -------------------------- 1 O -1.4803643 -0.0126920 0.2292284 0.0603245 -2.7714583 0.1688259 0.2233996 0.3311361 -2.6838965 2 O -1.4803643 0.0126920 0.2292284 -0.0603245 -2.7714583 -0.1688259 0.2233996 -0.3311361 -2.6838965 3 O -1.4803643 -0.0126920 0.2292284 0.0603245 -2.7714583 0.1688259 0.2233996 0.3311361 -2.6838965 4 O -1.4803643 0.0126920 0.2292284 -0.0603245 -2.7714583 -0.1688259 0.2233996 -0.3311361 -2.6838965 5 F -1.7525651 -0.4970695 -0.1706775 -0.4965754 -1.2306703 0.2600211 -0.1528979 0.2494270 -1.1053055 6 F -1.7525651 0.4970695 -0.1706775 0.4965754 -1.2306703 -0.2600211 -0.1528979 -0.2494270 -1.1053055 7 F -1.7525651 -0.4970695 -0.1706775 -0.4965754 -1.2306703 0.2600211 -0.1528979 0.2494270 -1.1053055 8 F -1.7525651 0.4970695 -0.1706775 0.4965754 -1.2306703 -0.2600211 -0.1528979 -0.2494270 -1.1053055 9 Sc 3.2329294 0.1128507 -0.0585508 -0.0456435 4.0021285 -0.0236393 -0.0705018 -0.0948623 3.7892019 10 Sc 3.2329294 -0.1128507 -0.0585508 0.0456435 4.0021285 0.0236393 -0.0705018 0.0948623 3.7892019 11 Sc 3.2329294 0.1128507 -0.0585508 -0.0456435 4.0021285 -0.0236393 -0.0705018 -0.0948623 3.7892019 12 Sc 3.2329294 -0.1128507 -0.0585508 0.0456435 4.0021285 0.0236393 -0.0705018 0.0948623 3.7892019 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 ... [ 10 10 10 ] 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: 0.81, Number of G-points: 299, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/312) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 6.365 ( 0.000 0.000 0.000) 0.000 6.909 ( 0.000 0.000 0.000) 0.000 7.072 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 7.738 ( 0.000 0.000 0.000) 0.000 7.790 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 7.982 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 8.939 ( 0.000 0.000 0.000) 0.000 9.221 ( 0.000 0.000 0.000) 0.000 9.507 ( 0.000 0.000 0.000) 0.000 9.548 ( 0.000 0.000 0.000) 0.000 9.635 ( 0.000 0.000 0.000) 0.000 9.873 ( 0.000 0.000 0.000) 0.000 10.654 ( 0.000 0.000 0.000) 0.000 11.216 ( 0.000 0.000 0.000) 0.000 11.701 ( 0.000 0.000 0.000) 0.000 12.395 ( 0.000 0.000 0.000) 0.000 12.447 ( 0.000 0.000 0.000) 0.000 12.602 ( 0.000 0.000 0.000) 0.000 12.755 ( 0.000 0.000 0.000) 0.000 13.275 ( 0.000 0.000 0.000) 0.000 13.436 ( 0.000 0.000 0.000) 0.000 13.627 ( 0.000 0.000 0.000) 0.000 16.531 ( 0.000 0.000 0.000) 0.000 16.711 ( 0.000 0.000 0.000) 0.000 17.238 ( 0.000 0.000 0.000) 0.000 19.855 ( 0.000 0.000 0.000) 0.000 19.899 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/312) ======================= q-point: ( 0.10 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 30.338 0.000 1.208) 30.362 0.809 ( 40.443 0.000 5.068) 40.759 1.595 ( 78.865 0.000 13.107) 79.947 2.571 ( 2.290 0.000 -0.737) 2.406 4.600 ( -5.746 0.000 -10.022) 11.552 4.984 ( -4.970 0.000 -4.518) 6.717 6.487 ( 11.838 0.000 0.905) 11.872 6.879 ( -4.085 0.000 3.233) 5.210 7.080 ( -3.874 0.000 3.679) 5.343 7.080 ( 0.766 0.000 0.186) 0.788 7.661 ( -9.601 0.000 11.285) 14.816 7.872 ( 5.275 0.000 4.394) 6.865 7.901 ( 2.589 0.000 -30.960) 31.068 8.073 ( -2.370 0.000 24.817) 24.930 8.170 ( 5.445 0.000 12.507) 13.641 8.872 ( -5.170 0.000 -9.754) 11.040 9.212 ( 0.616 0.000 -3.262) 3.320 9.515 ( -2.101 0.000 6.613) 6.939 9.554 ( -0.723 0.000 6.559) 6.599 9.697 ( 6.052 0.000 -0.642) 6.085 9.878 ( 0.678 0.000 0.628) 0.924 10.774 ( 10.845 0.000 4.228) 11.640 11.702 ( 0.401 0.000 -0.995) 1.073 12.141 ( -14.424 0.000 -41.203) 43.655 12.281 ( -6.276 0.000 -0.292) 6.282 12.597 ( 0.330 0.000 -2.976) 2.994 12.780 ( 1.194 0.000 4.506) 4.662 13.201 ( -6.667 0.000 -5.033) 8.353 13.353 ( -11.385 0.000 37.674) 39.356 13.403 ( -3.216 0.000 -0.161) 3.220 15.773 ( 17.219 0.000 -21.622) 27.640 16.707 ( -0.381 0.000 -0.110) 0.397 17.242 ( 0.713 0.000 -1.425) 1.594 19.234 ( -3.384 0.000 4.874) 5.934 19.812 ( -2.241 0.000 -2.295) 3.208 19.935 ( 1.487 0.000 3.365) 3.679 ======================= Grid point 2 (3/312) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 29.156 0.000 2.209) 29.240 1.594 ( 38.561 0.000 5.241) 38.916 2.562 ( 4.233 0.000 0.796) 4.307 3.205 ( 74.912 0.000 11.821) 75.839 4.397 ( -11.320 0.000 -8.286) 14.029 4.822 ( -9.528 0.000 -7.518) 12.137 6.764 ( -8.870 0.000 5.576) 10.477 6.789 ( 17.659 0.000 0.122) 17.659 7.009 ( -4.805 0.000 5.456) 7.271 7.099 ( 1.192 0.000 -0.401) 1.257 7.469 ( -11.937 0.000 2.198) 12.138 7.888 ( 6.079 0.000 -27.715) 28.374 7.965 ( -0.144 0.000 13.871) 13.872 8.200 ( 11.330 0.000 4.876) 12.335 8.285 ( 2.000 0.000 9.613) 9.819 8.704 ( -7.568 0.000 -10.317) 12.795 9.246 ( 3.830 0.000 -1.611) 4.155 9.491 ( -2.279 0.000 4.250) 4.823 9.562 ( -0.968 0.000 8.287) 8.344 9.802 ( 2.206 0.000 -0.782) 2.340 9.946 ( 7.668 0.000 1.477) 7.809 11.056 ( 15.578 0.000 4.295) 16.160 11.544 ( -33.025 0.000 -10.909) 34.781 11.716 ( 1.761 0.000 -2.006) 2.669 12.176 ( -5.996 0.000 -5.905) 8.415 12.605 ( 1.711 0.000 -3.908) 4.266 12.805 ( -1.244 0.000 6.977) 7.087 12.990 ( -12.521 0.000 -8.959) 15.396 13.201 ( -12.247 0.000 11.345) 16.694 13.320 ( -4.821 0.000 -0.780) 4.884 16.095 ( 19.291 0.000 -5.929) 20.182 16.697 ( -0.552 0.000 -0.134) 0.568 17.256 ( 1.516 0.000 -2.956) 3.322 19.164 ( -5.214 0.000 3.499) 6.279 19.772 ( -1.153 0.000 -1.059) 1.565 19.960 ( -0.137 0.000 2.795) 2.799 ======================= Grid point 3 (4/312) ======================= q-point: ( 0.30 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 25.863 0.000 3.650) 26.119 2.329 ( 35.212 0.000 5.562) 35.648 2.615 ( 2.639 0.000 -1.555) 3.063 4.079 ( -13.430 0.000 -5.285) 14.433 4.565 ( -14.159 0.000 -8.481) 16.505 4.731 ( 71.343 0.000 12.670) 72.460 6.604 ( -8.718 0.000 4.873) 9.987 6.936 ( -5.011 0.000 9.116) 10.403 7.108 ( 11.791 0.000 -4.522) 12.629 7.123 ( 4.183 0.000 -0.021) 4.183 7.234 ( -10.402 0.000 -9.532) 14.109 7.937 ( 7.215 0.000 -21.935) 23.091 7.985 ( -2.159 0.000 14.176) 14.340 8.300 ( -3.237 0.000 6.785) 7.518 8.499 ( 17.240 0.000 -1.649) 17.318 8.539 ( -6.177 0.000 -4.873) 7.868 9.345 ( 5.819 0.000 2.544) 6.351 9.445 ( -4.914 0.000 4.371) 6.577 9.571 ( -0.707 0.000 6.103) 6.144 9.758 ( -7.675 0.000 -0.345) 7.683 10.063 ( -1.588 0.000 0.434) 1.646 11.002 ( -11.431 0.000 -3.780) 12.040 11.360 ( 13.170 0.000 2.624) 13.429 11.773 ( 5.757 0.000 -3.178) 6.576 11.980 ( -12.929 0.000 -1.649) 13.034 12.631 ( 1.994 0.000 -3.531) 4.055 12.659 ( -18.335 0.000 -9.748) 20.765 12.762 ( -5.820 0.000 7.738) 9.683 13.000 ( -9.602 0.000 2.212) 9.854 13.229 ( -3.827 0.000 -1.288) 4.038 16.432 ( 15.620 0.000 -0.541) 15.629 16.686 ( -0.475 0.000 -0.083) 0.482 17.283 ( 2.504 0.000 -4.198) 4.888 19.064 ( -5.977 0.000 2.927) 6.655 19.764 ( 0.463 0.000 0.189) 0.500 19.948 ( -1.849 0.000 1.551) 2.414 ======================= Grid point 4 (5/312) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 17.115 0.000 4.588) 17.719 2.665 ( 3.530 0.000 -2.992) 4.627 2.978 ( 28.882 0.000 5.651) 29.430 3.776 ( -13.836 0.000 -3.830) 14.356 4.223 ( -17.752 0.000 -7.503) 19.273 6.113 ( 63.655 0.000 16.605) 65.785 6.481 ( -4.923 0.000 2.663) 5.597 6.890 ( -3.477 0.000 13.909) 14.337 7.027 ( -5.840 0.000 -16.201) 17.221 7.133 ( 1.784 0.000 -7.859) 8.059 7.311 ( 6.609 0.000 -2.950) 7.238 7.958 ( -6.615 0.000 9.273) 11.391 8.006 ( 6.332 0.000 -16.155) 17.352 8.226 ( -5.732 0.000 5.904) 8.228 8.443 ( -3.031 0.000 -0.015) 3.031 8.703 ( -3.961 0.000 -10.515) 11.236 9.240 ( -12.716 0.000 8.090) 15.072 9.463 ( 4.471 0.000 4.368) 6.250 9.560 ( -5.494 0.000 0.289) 5.502 9.573 ( -0.592 0.000 1.720) 1.819 9.977 ( -2.639 0.000 -0.342) 2.661 11.158 ( 19.938 0.000 3.630) 20.266 11.541 ( 4.838 0.000 1.299) 5.009 11.701 ( -13.282 0.000 -0.555) 13.294 11.930 ( 10.694 0.000 -4.014) 11.423 12.220 ( -23.180 0.000 -8.628) 24.734 12.611 ( -6.984 0.000 5.634) 8.974 12.682 ( -0.262 0.000 -1.543) 1.565 12.871 ( -4.015 0.000 -0.493) 4.045 13.170 ( -1.872 0.000 -0.699) 1.999 16.667 ( 8.082 0.000 1.159) 8.165 16.679 ( -0.257 0.000 -0.026) 0.258 17.322 ( 2.711 0.000 -3.585) 4.495 18.967 ( -4.345 0.000 1.846) 4.721 19.790 ( 1.915 0.000 0.855) 2.098 19.904 ( -2.826 0.000 0.220) 2.835 ======================= Grid point 5 (6/312) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 0.000 0.000 -0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 3.354 ( -0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 -0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 6.917 ( 0.000 0.000 -0.000) 0.000 7.058 ( -0.000 0.000 -0.000) 0.000 7.113 ( 0.000 0.000 0.000) 0.000 7.334 ( 0.000 0.000 0.000) 0.000 7.752 ( 0.000 0.000 -0.000) 0.000 8.052 ( -0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 -0.000) 0.000 8.414 ( 0.000 0.000 -0.000) 0.000 8.455 ( 0.000 0.000 0.000) 0.000 9.227 ( -0.000 0.000 0.000) 0.000 9.522 ( 0.000 0.000 -0.000) 0.000 9.524 ( 0.000 0.000 0.000) 0.000 9.563 ( -0.000 0.000 -0.000) 0.000 9.956 ( 0.000 0.000 -0.000) 0.000 11.471 ( -0.000 0.000 -0.000) 0.000 11.585 ( 0.000 0.000 0.000) 0.000 11.618 ( 0.000 0.000 0.000) 0.000 11.813 ( 0.000 0.000 0.000) 0.000 12.059 ( 0.000 0.000 0.000) 0.000 12.518 ( 0.000 0.000 -0.000) 0.000 12.687 ( 0.000 0.000 0.000) 0.000 12.833 ( 0.000 0.000 -0.000) 0.000 13.151 ( 0.000 0.000 0.000) 0.000 16.676 ( 0.000 0.000 0.000) 0.000 16.747 ( 0.000 0.000 0.000) 0.000 17.347 ( 0.000 0.000 -0.000) 0.000 18.925 ( 0.000 0.000 0.000) 0.000 19.829 ( 0.000 0.000 0.000) 0.000 19.857 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 11 (7/312) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.000 39.225 0.000) 39.225 0.850 ( 0.000 43.262 0.000) 43.262 1.672 ( 0.000 81.171 0.000) 81.171 2.687 ( 0.000 14.829 0.000) 14.829 4.701 ( 0.000 3.415 0.000) 3.415 5.422 ( 0.000 5.371 0.000) 5.371 6.241 ( 0.000 -12.950 0.000) 12.950 6.870 ( 0.000 -4.121 0.000) 4.121 7.082 ( 0.000 -0.753 0.000) 0.753 7.286 ( 0.000 9.382 0.000) 9.382 7.641 ( 0.000 -10.122 0.000) 10.122 7.690 ( 0.000 -10.464 0.000) 10.464 7.786 ( 0.000 2.114 0.000) 2.114 8.111 ( 0.000 -1.993 0.000) 1.993 8.166 ( 0.000 10.938 0.000) 10.938 8.943 ( 0.000 -2.610 0.000) 2.610 9.162 ( 0.000 -2.895 0.000) 2.895 9.471 ( 0.000 -3.322 0.000) 3.322 9.761 ( 0.000 20.786 0.000) 20.786 9.870 ( 0.000 18.341 0.000) 18.341 10.080 ( 0.000 17.115 0.000) 17.115 10.595 ( 0.000 -4.375 0.000) 4.375 11.257 ( 0.000 3.490 0.000) 3.490 12.323 ( 0.000 -11.360 0.000) 11.360 12.365 ( 0.000 -3.730 0.000) 3.730 12.503 ( 0.000 -9.251 0.000) 9.251 12.714 ( 0.000 3.923 0.000) 3.923 13.238 ( 0.000 -15.868 0.000) 15.868 13.330 ( 0.000 5.702 0.000) 5.702 13.698 ( 0.000 3.143 0.000) 3.143 16.308 ( 0.000 -16.057 0.000) 16.057 16.904 ( 0.000 13.045 0.000) 13.045 17.125 ( 0.000 -11.525 0.000) 11.525 18.927 ( 0.000 -3.755 0.000) 3.755 19.958 ( 0.000 5.899 0.000) 5.899 21.496 ( 0.000 -3.388 0.000) 3.388 ======================= Grid point 12 (8/312) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 16.840 33.423 3.986) 37.638 1.345 ( 33.680 31.409 4.269) 46.250 2.181 ( 50.607 55.378 8.439) 75.491 2.702 ( 1.592 15.210 -0.608) 15.305 4.630 ( -6.563 3.497 -3.656) 8.287 5.268 ( -10.375 15.855 -8.504) 20.769 6.322 ( 8.358 -15.773 1.657) 17.927 6.840 ( -4.595 -4.344 4.392) 7.699 6.999 ( -5.499 -3.831 2.302) 7.086 7.259 ( -1.443 10.734 -2.908) 11.214 7.646 ( -2.849 -7.185 -1.807) 7.937 7.705 ( -2.255 -3.576 6.852) 8.051 7.769 ( 3.490 -9.644 2.861) 10.648 8.162 ( 2.819 -3.025 4.132) 5.845 8.230 ( 6.722 12.769 -5.715) 15.520 8.874 ( -4.648 0.430 -7.607) 8.925 9.147 ( -0.316 -3.398 -1.713) 3.818 9.464 ( -1.457 -2.594 4.648) 5.519 9.784 ( 2.317 20.360 1.950) 20.584 9.908 ( 3.269 18.110 0.330) 18.406 10.081 ( 0.214 17.090 1.846) 17.190 10.757 ( 12.756 -4.503 3.702) 14.025 11.294 ( 0.959 -7.262 -3.207) 7.996 12.192 ( -10.994 -8.401 5.396) 14.851 12.365 ( -0.974 -0.175 -11.290) 11.333 12.503 ( -0.039 -8.732 -3.900) 9.563 12.754 ( 1.931 0.838 2.723) 3.442 13.161 ( -6.559 -11.645 -0.852) 13.392 13.291 ( -4.677 3.806 0.158) 6.032 13.599 ( -9.452 6.689 5.250) 12.714 16.194 ( -3.725 4.141 -5.606) 7.903 16.858 ( -2.416 15.946 0.009) 16.127 17.133 ( 1.336 -10.792 -2.978) 11.274 18.912 ( -1.652 -10.716 0.122) 10.843 19.964 ( 0.286 5.103 1.169) 5.243 20.715 ( -42.450 36.370 -7.195) 56.361 ======================= Grid point 13 (9/312) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 23.094 22.711 4.557) 32.709 1.961 ( 30.018 28.054 3.749) 41.257 2.745 ( 3.316 17.466 -1.179) 17.817 3.430 ( 68.085 25.091 13.228) 73.757 4.435 ( -11.439 3.957 -5.479) 13.287 5.028 ( -11.330 17.990 -10.380) 23.659 6.550 ( 12.934 -20.037 3.571) 24.115 6.704 ( -10.760 -6.543 8.002) 14.921 6.939 ( -2.120 -6.816 3.182) 7.815 7.225 ( -0.412 8.059 -7.457) 10.987 7.498 ( -9.385 4.088 2.612) 10.565 7.731 ( 2.802 -10.608 -5.194) 12.139 7.856 ( 3.558 -10.071 0.136) 10.681 8.209 ( -0.132 -7.582 5.948) 9.638 8.398 ( 12.629 15.733 -3.141) 20.418 8.737 ( -6.048 3.351 -9.389) 11.660 9.166 ( 2.890 -4.367 -0.993) 5.330 9.454 ( -1.362 -1.189 6.981) 7.211 9.822 ( -0.423 22.975 1.950) 23.061 9.973 ( 1.888 13.884 0.069) 14.011 10.133 ( 4.954 16.608 3.688) 17.719 11.048 ( 14.308 -6.683 0.723) 15.808 11.196 ( -8.611 -6.577 -2.939) 11.227 11.966 ( -12.203 -0.264 4.613) 13.048 12.242 ( -7.052 7.415 -9.455) 13.932 12.501 ( 0.942 -11.262 -2.378) 11.549 12.775 ( -1.113 -0.293 3.931) 4.096 13.008 ( -7.988 -5.349 -6.317) 11.504 13.146 ( -10.014 3.257 2.224) 10.763 13.421 ( -9.541 5.569 2.350) 11.295 16.245 ( 8.991 5.448 -2.508) 10.808 16.830 ( -0.881 14.173 0.780) 14.222 17.156 ( 2.372 -9.302 -4.822) 10.742 18.864 ( -3.354 -18.168 1.106) 18.508 19.968 ( -0.519 4.125 1.120) 4.306 20.171 ( -16.178 23.294 -1.164) 28.385 ======================= Grid point 14 (10/312) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 22.818 16.000 5.322) 28.372 2.513 ( 22.672 14.151 2.910) 26.884 2.853 ( 11.029 24.475 -0.482) 26.849 4.134 ( -14.035 5.362 -4.603) 15.714 4.703 ( 1.495 11.878 -3.925) 12.598 4.862 ( 49.589 15.236 7.828) 52.464 6.520 ( -9.978 -9.052 6.930) 15.151 6.775 ( 5.935 -17.083 7.982) 19.768 6.935 ( 1.474 -9.806 0.518) 9.930 7.182 ( 0.119 1.589 -14.911) 14.996 7.358 ( -4.360 12.259 -0.239) 13.014 7.767 ( 2.232 -12.069 -3.320) 12.715 7.898 ( 1.680 -9.428 -3.445) 10.177 8.197 ( -3.030 -9.796 5.682) 11.723 8.582 ( -4.984 5.112 -4.261) 8.314 8.687 ( 14.646 12.548 -2.662) 19.469 9.237 ( 3.624 -5.143 -0.414) 6.305 9.466 ( 0.312 -0.226 6.898) 6.909 9.740 ( -10.584 16.883 -1.843) 20.012 9.958 ( -3.542 17.187 3.121) 17.824 10.183 ( -4.451 10.973 1.661) 11.958 11.011 ( 3.106 3.274 -2.504) 5.161 11.390 ( 15.304 0.845 2.111) 15.472 11.809 ( -6.238 -1.067 2.775) 6.910 12.055 ( -8.784 8.669 -4.280) 13.063 12.498 ( -1.844 -11.455 -0.917) 11.639 12.733 ( -3.949 0.726 1.676) 4.351 12.775 ( -13.862 5.777 -7.732) 16.891 12.979 ( -6.905 -0.859 2.647) 7.444 13.265 ( -6.366 2.611 -0.801) 6.927 16.446 ( 10.494 -0.516 0.293) 10.511 16.822 ( -0.385 12.330 1.183) 12.393 17.193 ( 3.229 -7.799 -5.909) 10.303 18.796 ( -3.940 -20.644 1.812) 21.094 19.948 ( -2.308 8.807 -0.130) 9.105 19.966 ( -5.943 6.108 1.503) 8.654 ======================= Grid point 15 (11/312) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 15.743 12.425 5.577) 20.816 2.750 ( 5.927 9.251 -2.622) 11.295 3.261 ( 25.234 25.245 4.865) 36.024 3.836 ( -13.477 5.851 -3.530) 15.111 4.368 ( -18.794 14.374 -8.577) 25.167 6.056 ( 48.679 -5.298 13.389) 50.764 6.394 ( -3.402 -9.620 5.774) 11.724 6.843 ( -0.320 -4.491 13.935) 14.644 6.949 ( 2.041 -8.331 -8.424) 12.023 7.195 ( 6.717 -3.879 -14.150) 16.137 7.324 ( 0.518 13.402 -2.761) 13.693 7.782 ( -1.027 -12.532 0.251) 12.577 7.913 ( 1.994 -10.117 -6.580) 12.232 8.145 ( -3.417 -7.886 5.749) 10.340 8.467 ( -5.766 3.819 -2.837) 7.475 8.877 ( -3.512 11.679 -5.708) 13.465 9.156 ( -12.119 -6.884 0.893) 13.966 9.445 ( -4.699 1.269 1.030) 4.975 9.551 ( 3.381 4.498 5.198) 7.661 9.903 ( -2.083 24.647 1.348) 24.772 10.101 ( -2.129 11.001 0.053) 11.205 11.297 ( 21.229 12.193 3.537) 24.735 11.619 ( 0.792 4.384 4.701) 6.476 11.677 ( -1.877 -3.154 -3.431) 5.024 11.969 ( 2.135 5.882 -3.203) 7.030 12.304 ( -18.632 6.455 -4.949) 20.330 12.526 ( -8.053 -5.730 2.748) 10.259 12.679 ( -1.220 -0.166 -1.733) 2.126 12.886 ( -3.345 1.159 -0.015) 3.540 13.177 ( -2.558 0.566 -0.825) 2.747 16.614 ( 6.060 -2.050 0.972) 6.471 16.819 ( -0.340 9.072 1.028) 9.136 17.236 ( 2.830 -7.381 -4.494) 9.093 18.734 ( -2.780 -20.163 1.459) 20.406 19.879 ( -2.544 4.396 1.209) 5.220 19.923 ( -1.400 3.991 -0.200) 4.235 ======================= Grid point 16 (12/312) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 0.000 11.342 -0.000) 11.342 2.812 ( 0.000 10.298 0.000) 10.298 3.617 ( -0.000 20.408 0.000) 20.408 3.688 ( 0.000 11.760 0.000) 11.760 4.061 ( 0.000 10.628 0.000) 10.628 6.313 ( 0.000 -12.911 -0.000) 12.911 6.603 ( 0.000 -19.475 0.000) 19.475 6.850 ( 0.000 -4.065 0.000) 4.065 7.072 ( -0.000 -6.993 -0.000) 6.993 7.323 ( -0.000 6.098 -0.000) 6.098 7.332 ( 0.000 9.108 0.000) 9.108 7.708 ( 0.000 -4.799 0.000) 4.799 7.929 ( 0.000 -11.336 0.000) 11.336 8.149 ( 0.000 2.176 -0.000) 2.176 8.294 ( -0.000 -3.300 -0.000) 3.300 8.642 ( 0.000 10.113 0.000) 10.113 9.132 ( 0.000 -9.210 0.000) 9.210 9.425 ( 0.000 -0.005 -0.000) 0.005 9.620 ( -0.000 5.147 0.000) 5.147 9.886 ( 0.000 26.065 -0.000) 26.065 10.084 ( 0.000 11.140 -0.000) 11.140 11.520 ( 0.000 2.936 -0.000) 2.936 11.645 ( 0.000 6.878 -0.000) 6.878 11.791 ( -0.000 -1.138 -0.000) 1.138 11.883 ( 0.000 22.684 0.000) 22.684 12.060 ( 0.000 0.849 0.000) 0.849 12.440 ( 0.000 -7.972 -0.000) 7.972 12.668 ( 0.000 -1.265 0.000) 1.265 12.853 ( 0.000 1.868 -0.000) 1.868 13.152 ( 0.000 0.082 0.000) 0.082 16.676 ( 0.000 -0.400 0.000) 0.400 16.817 ( 0.000 6.091 0.000) 6.091 17.259 ( 0.000 -7.698 -0.000) 7.698 18.708 ( 0.000 -19.462 0.000) 19.462 19.858 ( 0.000 0.252 -0.000) 0.252 19.907 ( 0.000 6.008 0.000) 6.008 ======================= Grid point 22 (13/312) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.000 39.126 0.000) 39.126 1.679 ( 0.000 41.625 0.000) 41.625 2.768 ( 0.000 25.976 0.000) 25.976 3.445 ( 0.000 65.683 0.000) 65.683 4.789 ( 0.000 5.280 0.000) 5.280 5.538 ( 0.000 1.470 0.000) 1.470 5.914 ( 0.000 -14.889 0.000) 14.889 6.745 ( 0.000 -8.728 0.000) 8.728 6.996 ( 0.000 -10.756 0.000) 10.756 7.368 ( 0.000 -3.362 0.000) 3.362 7.421 ( 0.000 -11.777 0.000) 11.777 7.691 ( 0.000 14.324 0.000) 14.324 7.824 ( 0.000 1.193 0.000) 1.193 8.053 ( 0.000 -0.438 0.000) 0.438 8.447 ( 0.000 18.004 0.000) 18.004 8.993 ( 0.000 7.553 0.000) 7.553 9.132 ( 0.000 -0.697 0.000) 0.697 9.462 ( 0.000 2.238 0.000) 2.238 10.068 ( 0.000 2.873 0.000) 2.873 10.255 ( 0.000 19.829 0.000) 19.829 10.450 ( 0.000 19.806 0.000) 19.806 10.640 ( 0.000 13.774 0.000) 13.774 11.326 ( 0.000 3.176 0.000) 3.176 12.032 ( 0.000 -18.054 0.000) 18.054 12.124 ( 0.000 -21.233 0.000) 21.233 12.387 ( 0.000 -1.791 0.000) 1.791 12.792 ( 0.000 4.127 0.000) 4.127 12.893 ( 0.000 -17.536 0.000) 17.536 13.500 ( 0.000 11.733 0.000) 11.733 13.708 ( 0.000 -1.989 0.000) 1.989 15.961 ( 0.000 -19.214 0.000) 19.214 16.793 ( 0.000 -22.423 0.000) 22.423 17.175 ( 0.000 14.769 0.000) 14.769 18.817 ( 0.000 -7.441 0.000) 7.441 20.117 ( 0.000 10.028 0.000) 10.028 21.399 ( 0.000 -6.486 0.000) 6.486 ======================= Grid point 23 (14/312) ======================= q-point: ( 0.10 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 10.402 37.094 3.764) 38.708 1.953 ( 26.832 32.686 5.623) 42.661 2.884 ( 11.059 19.154 0.598) 22.126 3.591 ( 16.087 65.368 4.321) 67.457 4.723 ( -6.309 5.700 -1.827) 8.696 5.549 ( 0.002 11.794 -4.435) 12.601 5.932 ( 3.158 -21.130 2.181) 21.476 6.704 ( -6.116 -9.469 6.748) 13.138 6.866 ( -9.074 -10.336 -4.789) 14.564 7.327 ( -2.326 -5.411 -8.025) 9.955 7.486 ( 4.108 -11.790 6.757) 14.196 7.668 ( 0.231 2.735 -16.425) 16.653 7.789 ( -5.400 13.838 19.618) 24.608 8.053 ( -0.616 -5.506 -0.089) 5.541 8.552 ( 10.471 19.551 -9.332) 24.062 8.932 ( -4.336 4.950 -5.711) 8.713 9.125 ( -0.584 1.485 1.193) 1.992 9.468 ( 0.542 2.777 2.541) 3.803 10.136 ( 5.835 10.233 -0.236) 11.782 10.302 ( 2.786 18.261 1.932) 18.573 10.455 ( 0.844 19.661 2.694) 19.863 10.711 ( 6.644 6.529 1.777) 9.483 11.304 ( -2.918 3.910 2.105) 5.314 11.933 ( -7.751 -18.216 1.031) 19.824 12.152 ( 2.138 -18.608 -0.984) 18.756 12.393 ( -0.364 -2.938 -2.401) 3.812 12.799 ( 0.427 3.345 0.447) 3.402 12.869 ( -1.554 -15.019 -2.803) 15.357 13.455 ( -4.503 12.125 -0.677) 12.952 13.645 ( -6.402 -1.000 0.395) 6.492 16.014 ( 5.285 -16.416 1.044) 17.277 16.790 ( -0.581 -21.938 1.611) 22.005 17.193 ( 2.266 15.212 -2.606) 15.599 18.754 ( -5.994 -7.477 -1.285) 9.669 20.104 ( -1.457 8.945 0.703) 9.090 21.065 ( -27.655 5.471 -4.638) 28.570 ======================= Grid point 24 (15/312) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 15.162 31.816 4.775) 35.566 2.473 ( 22.070 24.842 4.589) 33.545 3.131 ( 13.133 20.427 -0.500) 24.290 4.170 ( 39.461 45.460 11.979) 61.378 4.544 ( -10.558 7.007 -3.165) 13.061 5.445 ( -7.633 23.882 -11.100) 27.420 6.095 ( 10.752 -25.796 7.641) 28.973 6.508 ( -14.509 -12.912 8.946) 21.384 6.759 ( -1.473 -10.816 -1.023) 10.963 7.235 ( -2.923 -6.212 -14.961) 16.461 7.556 ( -1.352 -8.350 4.640) 9.648 7.632 ( 2.423 -9.808 -4.836) 11.201 7.767 ( -1.515 21.320 3.890) 21.724 8.020 ( -2.451 -9.571 0.731) 9.907 8.719 ( 7.123 14.004 -4.660) 16.388 8.819 ( -2.987 5.709 -11.037) 12.780 9.147 ( 2.689 3.404 2.274) 4.898 9.493 ( 0.802 4.862 3.419) 5.998 10.251 ( 3.298 13.503 2.307) 14.090 10.295 ( -2.986 19.407 -3.502) 19.945 10.517 ( 2.178 21.425 7.151) 22.691 10.870 ( 8.812 -4.686 -3.304) 10.513 11.255 ( -0.434 5.930 5.555) 8.137 11.803 ( -5.802 -13.979 3.329) 15.497 12.193 ( 2.179 -17.295 -0.940) 17.457 12.326 ( -5.499 -0.667 -1.892) 5.853 12.786 ( -2.447 -0.361 0.108) 2.476 12.851 ( 1.751 -5.788 -5.359) 8.080 13.321 ( -9.226 13.608 -0.645) 16.453 13.480 ( -9.762 0.500 -0.091) 9.775 16.164 ( 9.275 -11.975 1.621) 15.233 16.783 ( -0.730 -20.826 2.324) 20.968 17.238 ( 3.395 16.121 -4.668) 17.123 18.597 ( -9.066 -9.748 -1.416) 13.387 20.066 ( -2.700 6.382 0.950) 6.995 20.528 ( -23.237 12.190 -2.774) 26.387 ======================= Grid point 25 (16/312) ======================= q-point: ( 0.30 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 16.967 25.548 6.459) 31.342 2.825 ( 13.561 18.149 0.367) 22.659 3.412 ( 16.974 28.869 1.332) 33.515 4.270 ( -14.122 8.066 -3.994) 16.747 4.978 ( 15.613 16.295 3.013) 22.768 5.318 ( 15.889 27.944 0.614) 32.151 6.206 ( -8.657 -23.046 7.621) 25.771 6.425 ( 9.304 -15.385 9.965) 20.557 6.751 ( -0.025 -10.055 2.195) 10.292 7.134 ( -0.473 -5.112 -18.936) 19.620 7.524 ( -2.156 -9.197 4.064) 10.284 7.672 ( 1.705 -12.219 -4.404) 13.100 7.749 ( -0.453 22.096 -1.525) 22.154 7.985 ( -0.641 -8.973 -0.821) 9.033 8.662 ( -5.599 2.479 -5.037) 7.929 8.867 ( 4.161 4.628 0.133) 6.225 9.239 ( 5.849 6.527 -3.572) 9.465 9.526 ( 2.029 5.318 2.154) 6.086 10.028 ( -21.444 11.843 -5.820) 25.179 10.318 ( 0.499 13.597 2.917) 13.915 10.516 ( -3.141 25.005 5.133) 25.719 11.098 ( 17.449 2.450 -2.657) 17.820 11.395 ( 10.939 0.927 4.178) 11.746 11.717 ( -5.486 -7.348 6.799) 11.416 12.184 ( -4.755 -4.782 -1.729) 6.962 12.237 ( -0.630 -6.383 1.536) 6.595 12.728 ( -2.668 0.910 -2.772) 3.953 12.871 ( 1.255 0.717 -5.539) 5.724 13.087 ( -14.389 14.823 0.526) 20.665 13.304 ( -7.643 1.662 -0.912) 7.875 16.363 ( 10.094 -8.757 1.900) 13.498 16.778 ( -0.592 -19.542 2.048) 19.658 17.279 ( 2.203 16.406 -5.812) 17.544 18.425 ( -7.711 -15.467 -0.217) 17.284 20.006 ( -3.880 3.640 0.692) 5.365 20.181 ( -12.258 8.918 -0.297) 15.161 ======================= Grid point 26 (17/312) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 12.506 20.797 6.717) 25.180 3.019 ( 7.708 17.748 -3.153) 19.605 3.805 ( 20.758 27.510 5.267) 34.863 3.987 ( -11.614 9.198 -3.588) 15.243 4.739 ( -19.418 21.907 -9.794) 30.869 5.915 ( 14.068 -11.429 5.372) 18.905 6.115 ( 4.768 -15.222 10.192) 18.930 6.671 ( 9.219 -14.040 10.445) 19.779 6.761 ( 0.251 -8.383 0.998) 8.445 7.157 ( 10.448 -0.956 -11.913) 15.874 7.496 ( -2.283 -9.827 2.185) 10.322 7.669 ( 0.916 -13.388 -8.191) 15.721 7.744 ( -0.743 19.310 2.750) 19.519 8.025 ( 7.824 0.361 -4.822) 9.197 8.545 ( -5.398 3.544 -2.662) 6.984 8.919 ( 1.070 -6.486 2.628) 7.079 9.180 ( -17.805 9.663 -6.494) 21.274 9.557 ( -7.450 8.820 -0.010) 11.546 9.638 ( 0.316 3.601 -0.484) 3.647 10.328 ( -0.056 13.236 2.164) 13.412 10.483 ( -1.308 30.046 1.699) 30.122 11.426 ( 10.850 -6.588 -1.509) 12.783 11.610 ( 7.974 -0.768 0.925) 8.064 11.679 ( 4.832 3.880 5.913) 8.565 12.101 ( -3.010 3.289 -0.105) 4.460 12.233 ( -1.108 -9.054 3.974) 9.950 12.662 ( -4.554 7.781 -4.185) 9.940 12.741 ( -11.987 17.278 -3.592) 21.333 12.916 ( -1.335 2.752 -0.455) 3.092 13.189 ( -3.801 1.345 -0.413) 4.053 16.546 ( 7.530 -6.334 1.795) 10.002 16.772 ( -0.630 -18.029 1.055) 18.070 17.277 ( -0.304 14.422 -4.680) 15.165 18.314 ( -3.642 -20.354 0.618) 20.687 19.919 ( -4.448 2.091 0.369) 4.928 20.038 ( -3.467 5.209 0.374) 6.269 ======================= Grid point 27 (18/312) ======================= q-point: (-0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 0.000 18.968 -0.000) 18.968 3.102 ( 0.000 18.981 0.000) 18.981 3.817 ( 0.000 8.921 -0.000) 8.921 4.244 ( -0.000 32.309 -0.000) 32.309 4.331 ( 0.000 15.970 0.000) 15.970 5.947 ( 0.000 -23.507 -0.000) 23.507 6.271 ( 0.000 -13.538 0.000) 13.538 6.754 ( 0.000 -6.726 0.000) 6.726 6.786 ( 0.000 -17.842 -0.000) 17.842 7.347 ( 0.000 -7.534 -0.000) 7.534 7.440 ( 0.000 -5.110 -0.000) 5.110 7.666 ( -0.000 -14.689 0.000) 14.689 7.735 ( 0.000 16.906 -0.000) 16.906 8.307 ( 0.000 3.431 -0.000) 3.431 8.344 ( -0.000 17.967 0.000) 17.967 8.825 ( 0.000 9.130 0.000) 9.130 8.934 ( 0.000 -9.734 0.000) 9.734 9.498 ( 0.000 6.745 0.000) 6.745 9.691 ( -0.000 1.333 -0.000) 1.333 10.332 ( 0.000 13.344 -0.000) 13.344 10.474 ( 0.000 31.334 -0.000) 31.334 11.462 ( 0.000 -9.984 -0.000) 9.984 11.715 ( 0.000 -2.500 -0.000) 2.500 11.838 ( 0.000 5.419 0.000) 5.419 12.061 ( 0.000 2.858 -0.000) 2.858 12.233 ( 0.000 -11.929 0.000) 11.929 12.502 ( 0.000 35.865 0.000) 35.865 12.665 ( 0.000 1.855 0.000) 1.855 12.905 ( 0.000 3.932 0.000) 3.932 13.153 ( 0.000 0.578 0.000) 0.578 16.633 ( 0.000 -5.166 0.000) 5.166 16.764 ( 0.000 -17.079 0.000) 17.079 17.260 ( 0.000 12.350 0.000) 12.350 18.282 ( 0.000 -21.745 0.000) 21.745 19.873 ( 0.000 1.466 0.000) 1.466 20.009 ( 0.000 4.012 0.000) 4.012 ======================= Grid point 33 (19/312) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 0.000 38.512 0.000) 38.512 2.460 ( 0.000 38.201 0.000) 38.201 3.164 ( 0.000 17.583 0.000) 17.583 4.639 ( 0.000 49.760 0.000) 49.760 4.896 ( 0.000 5.590 0.000) 5.590 5.197 ( 0.000 -28.049 0.000) 28.049 5.894 ( 0.000 -0.300 0.000) 0.300 6.534 ( 0.000 -12.732 0.000) 12.732 6.772 ( 0.000 -3.258 0.000) 3.258 7.202 ( 0.000 -10.302 0.000) 10.302 7.376 ( 0.000 2.838 0.000) 2.838 7.820 ( 0.000 -1.713 0.000) 1.713 7.840 ( 0.000 5.062 0.000) 5.062 8.342 ( 0.000 26.049 0.000) 26.049 8.859 ( 0.000 23.360 0.000) 23.360 9.116 ( 0.000 -1.111 0.000) 1.111 9.209 ( 0.000 14.390 0.000) 14.390 9.547 ( 0.000 6.208 0.000) 6.208 9.922 ( 0.000 -13.467 0.000) 13.467 10.610 ( 0.000 16.158 0.000) 16.158 10.811 ( 0.000 15.527 0.000) 15.527 10.899 ( 0.000 4.243 0.000) 4.243 11.367 ( 0.000 -1.435 0.000) 1.435 11.621 ( 0.000 -27.709 0.000) 27.709 11.656 ( 0.000 -18.528 0.000) 18.528 12.280 ( 0.000 -13.612 0.000) 13.612 12.777 ( 0.000 12.632 0.000) 12.632 12.879 ( 0.000 4.910 0.000) 4.910 13.642 ( 0.000 -3.556 0.000) 3.556 13.775 ( 0.000 15.987 0.000) 15.987 15.574 ( 0.000 -20.061 0.000) 20.061 16.262 ( 0.000 -31.706 0.000) 31.706 17.477 ( 0.000 16.107 0.000) 16.107 18.638 ( 0.000 -10.858 0.000) 10.858 20.335 ( 0.000 12.106 0.000) 12.106 21.247 ( 0.000 -9.069 0.000) 9.069 ======================= Grid point 34 (20/312) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 8.434 35.932 3.677) 37.091 2.614 ( 16.172 34.422 4.793) 38.332 3.242 ( 8.644 17.543 0.650) 19.568 4.722 ( 7.675 46.141 4.014) 46.947 4.841 ( -5.162 6.712 -0.774) 8.503 5.305 ( 9.443 -28.446 6.872) 30.751 5.860 ( -3.275 -1.068 -1.612) 3.803 6.515 ( -2.364 -9.333 3.816) 10.356 6.686 ( -7.190 -0.604 -10.813) 12.999 7.186 ( -3.504 -8.895 3.552) 10.199 7.344 ( 0.222 -1.431 -5.202) 5.399 7.646 ( -7.480 -1.707 -12.725) 14.859 7.911 ( -1.846 -0.160 10.597) 10.758 8.311 ( -1.734 27.130 0.712) 27.195 8.941 ( 2.374 14.413 -7.365) 16.359 9.024 ( -1.730 8.610 -5.078) 10.145 9.237 ( 1.410 10.658 1.796) 10.899 9.557 ( 2.586 5.885 0.556) 6.452 10.093 ( 12.675 -10.297 3.903) 16.791 10.594 ( -0.861 12.622 -3.160) 13.040 10.781 ( -1.290 11.348 -1.354) 11.501 10.947 ( 1.466 8.500 10.139) 13.312 11.370 ( -0.355 -0.203 1.665) 1.715 11.500 ( -7.579 -24.186 5.306) 25.895 11.762 ( 7.511 -18.156 -7.155) 20.910 12.270 ( -0.947 -12.443 -0.103) 12.479 12.789 ( 1.876 11.793 -2.897) 12.287 12.882 ( 0.147 5.746 -0.256) 5.753 13.593 ( -4.819 -2.882 -0.481) 5.636 13.746 ( -2.928 17.120 -0.352) 17.372 15.645 ( 6.735 -20.427 2.294) 21.630 16.263 ( 0.173 -31.581 -0.366) 31.584 17.492 ( 1.527 15.501 -0.347) 15.580 18.587 ( -5.180 -9.969 -0.682) 11.255 20.301 ( -3.445 11.056 0.449) 11.589 21.061 ( -17.115 -4.297 -2.293) 17.795 ======================= Grid point 35 (21/312) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 10.106 32.781 3.994) 34.535 2.961 ( 14.679 25.231 3.549) 29.405 3.530 ( 19.386 20.481 3.459) 28.412 4.672 ( -10.088 7.277 -2.630) 12.714 4.992 ( 16.124 34.194 9.300) 38.932 5.565 ( 12.087 -28.099 10.707) 32.408 5.759 ( -6.151 -3.305 -0.902) 7.040 6.403 ( -11.629 11.919 -2.894) 16.902 6.532 ( -1.453 -12.380 -2.528) 12.719 7.087 ( -4.635 -7.754 -6.963) 11.405 7.380 ( 2.477 -7.853 -0.469) 8.247 7.482 ( -4.908 -6.185 -9.028) 11.993 7.872 ( -3.064 -0.654 4.200) 5.240 8.298 ( 0.770 27.551 -4.294) 27.894 8.810 ( -7.904 0.598 -3.077) 8.503 9.041 ( -0.109 13.344 -5.612) 14.476 9.320 ( 6.123 13.483 -0.251) 14.811 9.613 ( 1.998 6.643 -1.356) 7.068 10.323 ( 8.484 -8.989 -0.816) 12.387 10.532 ( -6.105 9.416 -3.834) 11.859 10.790 ( 2.981 5.445 0.242) 6.212 11.002 ( 1.576 10.896 10.070) 14.920 11.353 ( -1.569 2.825 7.708) 8.358 11.445 ( -0.080 -22.493 5.960) 23.270 11.884 ( 7.085 -11.173 -5.504) 14.330 12.250 ( -0.756 -7.657 -0.799) 7.735 12.833 ( 3.914 10.927 -4.587) 12.481 12.874 ( -0.882 6.145 -0.998) 6.288 13.460 ( -8.494 -0.857 -0.359) 8.544 13.665 ( -4.904 20.785 -0.841) 21.372 15.835 ( 11.261 -20.704 3.763) 23.867 16.266 ( 0.411 -31.257 -0.899) 31.273 17.529 ( 2.367 13.861 -0.903) 14.091 18.436 ( -9.873 -7.950 -1.350) 12.747 20.213 ( -5.601 8.456 0.659) 10.164 20.662 ( -20.898 2.356 -2.014) 21.126 ======================= Grid point 36 (22/312) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 11.547 28.045 6.270) 30.970 3.209 ( 11.509 20.528 -1.610) 23.589 3.927 ( 18.960 24.308 4.576) 31.166 4.430 ( -13.500 8.004 -3.423) 16.063 5.306 ( 6.197 15.407 2.220) 16.755 5.640 ( -3.215 -7.868 2.291) 8.803 5.744 ( 1.768 -18.302 9.326) 20.617 6.283 ( 2.359 5.709 6.506) 8.972 6.532 ( 0.774 -12.406 2.626) 12.705 7.006 ( 0.771 -8.201 -13.173) 15.536 7.353 ( -3.937 -7.744 1.953) 8.904 7.434 ( 0.684 -11.324 -8.101) 13.940 7.879 ( 3.159 4.719 5.262) 7.742 8.314 ( 4.357 29.108 -13.020) 32.183 8.666 ( -5.419 -1.619 -3.826) 6.828 8.969 ( -6.629 9.144 3.177) 11.732 9.430 ( 5.049 10.930 -3.498) 12.538 9.618 ( 0.459 3.320 -5.402) 6.357 10.184 ( -19.761 2.967 -7.141) 21.220 10.504 ( 3.270 6.598 3.364) 8.095 10.870 ( 4.153 2.199 -1.507) 4.935 11.108 ( 5.440 3.134 5.198) 8.150 11.394 ( 2.543 -4.515 6.200) 8.081 11.523 ( 5.593 -11.353 13.382) 18.418 11.989 ( 4.938 -4.015 -2.874) 6.983 12.236 ( -0.516 -1.914 -1.575) 2.532 12.837 ( -2.217 8.416 -1.720) 8.872 12.904 ( 4.677 7.345 -5.442) 10.269 13.281 ( -9.392 3.417 0.505) 10.006 13.561 ( -5.152 26.845 -1.198) 27.361 16.082 ( 11.906 -20.253 5.085) 24.038 16.274 ( 1.013 -30.539 -2.300) 30.642 17.568 ( 1.824 12.293 -1.734) 12.548 18.214 ( -11.743 -7.046 -1.304) 13.756 20.099 ( -6.223 5.676 0.425) 8.434 20.304 ( -14.627 3.952 -0.317) 15.155 ======================= Grid point 37 (23/312) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( 8.699 23.330 6.724) 25.791 3.410 ( 10.136 21.333 -4.194) 23.989 4.146 ( -13.338 8.401 -2.117) 15.905 4.307 ( 18.575 22.312 5.184) 29.491 5.137 ( -16.496 16.658 -8.697) 25.005 5.523 ( -6.442 -24.414 1.793) 25.313 5.963 ( 11.131 -3.569 10.179) 15.499 6.381 ( 1.972 -13.792 4.074) 14.516 6.584 ( 2.230 -9.934 6.901) 12.300 7.037 ( 5.000 -12.639 -7.427) 15.489 7.296 ( -2.379 -8.972 0.734) 9.311 7.404 ( -0.775 -12.861 -5.790) 14.126 8.043 ( 9.088 14.275 14.697) 22.414 8.380 ( 7.163 27.835 -22.629) 36.581 8.605 ( 3.183 3.026 -3.711) 5.750 8.842 ( -6.249 2.098 3.055) 7.265 9.386 ( -13.649 10.896 -1.992) 17.578 9.638 ( 3.843 -0.733 -6.030) 7.188 9.770 ( -15.290 9.195 -0.222) 17.843 10.559 ( 1.352 10.233 2.579) 10.639 10.919 ( 1.701 6.611 -1.931) 7.094 11.176 ( 0.044 -12.877 2.852) 13.189 11.496 ( 5.818 -8.537 2.080) 10.538 11.730 ( 9.789 -3.901 10.965) 15.208 12.050 ( 1.978 -0.044 -0.171) 1.986 12.200 ( -3.100 0.689 -2.021) 3.764 12.785 ( -2.108 7.036 -1.395) 7.476 12.965 ( 3.119 5.363 -5.943) 8.591 13.127 ( -6.160 11.691 2.270) 13.408 13.471 ( -3.395 33.679 -0.944) 33.862 16.258 ( 1.366 -29.678 4.991) 30.125 16.332 ( 8.046 -19.625 -3.100) 21.436 17.576 ( -0.452 13.107 -2.179) 13.295 18.014 ( -7.510 -9.595 -0.202) 12.187 19.980 ( -5.490 4.089 0.047) 6.846 20.113 ( -5.504 2.590 0.548) 6.107 ======================= Grid point 38 (24/312) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 0.000 21.251 -0.000) 21.251 3.530 ( 0.000 24.379 -0.000) 24.379 3.974 ( 0.000 6.279 0.000) 6.279 4.643 ( 0.000 15.368 0.000) 15.368 4.803 ( 0.000 23.221 0.000) 23.221 5.462 ( 0.000 -24.348 -0.000) 24.348 6.099 ( 0.000 -4.074 0.000) 4.074 6.397 ( 0.000 -19.995 0.000) 19.995 6.620 ( 0.000 -8.038 0.000) 8.038 7.085 ( 0.000 -18.118 -0.000) 18.118 7.271 ( -0.000 -8.984 -0.000) 8.984 7.384 ( 0.000 -13.538 -0.000) 13.538 8.199 ( 0.000 25.957 -0.000) 25.957 8.374 ( 0.000 2.844 0.000) 2.844 8.778 ( -0.000 4.740 -0.000) 4.740 8.832 ( -0.000 21.251 0.000) 21.251 9.008 ( 0.000 9.482 0.000) 9.482 9.651 ( -0.000 8.036 0.000) 8.036 9.680 ( 0.000 -1.856 -0.000) 1.856 10.577 ( 0.000 11.274 0.000) 11.274 10.931 ( 0.000 8.119 -0.000) 8.119 11.173 ( 0.000 -15.420 -0.000) 15.420 11.567 ( 0.000 -10.218 -0.000) 10.218 11.881 ( 0.000 -5.568 -0.000) 5.568 12.073 ( 0.000 -0.447 0.000) 0.447 12.131 ( 0.000 3.500 -0.000) 3.500 12.760 ( 0.000 6.344 0.000) 6.344 12.980 ( -0.000 3.093 0.000) 3.093 13.075 ( 0.000 17.627 -0.000) 17.627 13.435 ( 0.000 37.098 0.000) 37.098 16.270 ( 0.000 -31.301 -0.000) 31.301 16.422 ( 0.000 -17.481 0.000) 17.481 17.558 ( 0.000 14.476 0.000) 14.476 17.942 ( 0.000 -11.831 0.000) 11.831 19.922 ( 0.000 3.566 0.000) 3.566 20.065 ( 0.000 1.848 0.000) 1.848 ======================= Grid point 44 (25/312) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 0.000 33.574 0.000) 33.574 3.152 ( 0.000 33.252 0.000) 33.252 3.439 ( 0.000 9.157 0.000) 9.157 4.527 ( 0.000 -34.581 0.000) 34.581 5.014 ( 0.000 7.259 0.000) 7.259 5.436 ( 0.000 28.004 0.000) 28.004 5.632 ( 0.000 -20.452 0.000) 20.452 6.256 ( 0.000 -15.720 0.000) 15.720 6.899 ( 0.000 6.903 0.000) 6.903 7.035 ( 0.000 -6.406 0.000) 6.406 7.477 ( 0.000 8.167 0.000) 8.167 7.758 ( 0.000 -4.621 0.000) 4.621 8.140 ( 0.000 27.165 0.000) 27.165 8.834 ( 0.000 21.774 0.000) 21.774 9.024 ( 0.000 -6.875 0.000) 6.875 9.358 ( 0.000 23.668 0.000) 23.668 9.576 ( 0.000 23.057 0.000) 23.057 9.599 ( 0.000 -19.328 0.000) 19.328 9.694 ( 0.000 9.241 0.000) 9.241 10.747 ( 0.000 -18.883 0.000) 18.883 10.796 ( 0.000 -4.966 0.000) 4.966 10.942 ( 0.000 -29.580 0.000) 29.580 10.980 ( 0.000 7.741 0.000) 7.741 11.368 ( 0.000 -7.266 0.000) 7.266 11.494 ( 0.000 5.418 0.000) 5.418 11.977 ( 0.000 -14.906 0.000) 14.906 12.988 ( 0.000 6.273 0.000) 6.273 13.133 ( 0.000 10.279 0.000) 10.279 13.722 ( 0.000 19.193 0.000) 19.193 14.091 ( 0.000 14.894 0.000) 14.894 15.203 ( 0.000 -16.909 0.000) 16.909 15.588 ( 0.000 -35.759 0.000) 35.759 17.796 ( 0.000 16.467 0.000) 16.467 18.398 ( 0.000 -13.695 0.000) 13.695 20.579 ( 0.000 12.681 0.000) 12.681 21.050 ( 0.000 -11.008 0.000) 11.008 ======================= Grid point 45 (26/312) ======================= q-point: ( 0.10 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 5.166 29.532 1.839) 30.036 3.254 ( 8.326 29.242 2.523) 30.509 3.544 ( 11.924 13.746 3.987) 18.629 4.661 ( 11.654 -33.183 7.730) 36.010 4.962 ( -5.181 7.358 -0.383) 9.007 5.454 ( 0.852 22.254 2.975) 22.468 5.586 ( -4.198 -16.318 1.089) 16.885 6.262 ( 0.695 -15.465 -1.251) 15.531 6.865 ( -3.201 7.938 -5.400) 10.120 7.029 ( -1.994 -6.450 4.268) 7.987 7.394 ( -5.818 5.793 -6.806) 10.665 7.617 ( -10.601 -3.022 -9.686) 14.674 8.111 ( -3.098 23.500 1.930) 23.782 8.755 ( -5.332 11.216 -5.853) 13.729 9.012 ( -2.656 5.538 3.398) 7.019 9.375 ( -2.200 16.601 -1.931) 16.858 9.509 ( 5.800 13.360 -4.005) 15.105 9.674 ( 5.742 6.112 -4.725) 9.626 9.894 ( 9.620 -4.284 7.880) 13.153 10.668 ( -3.467 -12.439 -5.653) 14.097 10.774 ( -2.025 -10.629 -2.277) 11.057 10.943 ( 0.024 -22.753 1.378) 22.795 11.036 ( 1.671 4.497 14.053) 14.849 11.350 ( -2.467 -5.861 7.393) 9.751 11.607 ( 11.117 3.749 -6.427) 13.377 12.005 ( 3.347 -12.676 -2.207) 13.295 12.973 ( -0.961 6.388 -1.860) 6.722 13.140 ( 0.599 7.998 -1.919) 8.247 13.700 ( -2.237 21.572 1.081) 21.714 14.088 ( -0.184 16.368 -0.033) 16.370 15.253 ( 4.734 -18.571 2.431) 19.318 15.592 ( 0.655 -35.563 -1.574) 35.604 17.796 ( -0.056 15.642 0.156) 15.643 18.365 ( -3.468 -12.783 -0.100) 13.245 20.524 ( -5.500 11.530 0.332) 12.779 20.932 ( -11.435 -8.512 -0.830) 14.279 ======================= Grid point 46 (27/312) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 6.828 26.316 2.416) 27.295 3.409 ( 7.672 18.158 -0.471) 19.718 3.932 ( 22.616 21.470 9.911) 32.721 4.808 ( -8.933 6.658 -1.688) 11.269 4.987 ( 15.359 -28.401 12.007) 34.448 5.399 ( -8.486 -16.933 3.384) 19.240 5.584 ( 4.566 17.756 3.838) 18.731 6.267 ( 0.158 -14.512 -0.839) 14.537 6.714 ( -10.609 10.366 -5.383) 15.779 6.946 ( -7.120 -6.643 -0.680) 9.762 7.288 ( -2.130 -1.675 -5.227) 5.888 7.379 ( -8.959 -4.578 -7.855) 12.764 8.071 ( 0.133 20.490 -1.599) 20.552 8.629 ( -4.342 -0.026 -8.552) 9.591 8.951 ( -3.127 18.618 -3.880) 19.274 9.355 ( -0.484 18.389 4.830) 19.019 9.593 ( 2.129 12.560 -5.187) 13.755 9.725 ( -0.687 4.305 -5.617) 7.110 10.063 ( 9.001 -13.476 -5.902) 17.246 10.588 ( -5.564 -9.608 2.003) 11.282 10.761 ( 2.190 -4.959 -6.715) 8.630 10.966 ( 0.844 -19.507 9.526) 21.725 11.132 ( 4.364 2.276 14.380) 15.199 11.332 ( -2.221 -4.406 9.965) 11.119 11.826 ( 12.268 3.845 -4.773) 13.714 12.085 ( 5.498 -7.900 -3.676) 10.303 12.946 ( -0.972 5.174 -2.810) 5.967 13.123 ( -1.701 3.208 -3.711) 5.192 13.658 ( -2.156 28.273 1.925) 28.421 14.092 ( 0.872 20.902 -0.087) 20.920 15.398 ( 8.537 -22.829 5.219) 24.925 15.605 ( 1.737 -34.669 -3.769) 34.916 17.792 ( -0.504 13.241 0.038) 13.251 18.262 ( -7.039 -10.133 -0.464) 12.347 20.383 ( -8.663 8.683 0.577) 12.279 20.646 ( -16.417 -3.552 -0.726) 16.813 ======================= Grid point 47 (28/312) ======================= q-point: ( 0.30 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 7.397 23.126 4.521) 24.698 3.572 ( 9.982 14.439 -2.983) 17.805 4.379 ( 18.659 22.421 9.097) 30.555 4.585 ( -12.737 8.789 -2.781) 15.723 5.220 ( -9.860 -22.467 2.215) 24.635 5.276 ( 7.990 -21.000 8.175) 23.910 5.731 ( 8.196 13.816 5.884) 17.108 6.278 ( 0.903 -13.377 2.352) 13.612 6.458 ( -12.391 7.807 -0.260) 14.648 6.809 ( -4.821 -11.306 -5.723) 13.558 7.226 ( -4.517 -5.021 0.146) 6.755 7.251 ( -1.786 -6.940 -7.991) 10.734 8.134 ( 6.595 17.181 0.669) 18.416 8.553 ( -1.059 -4.862 -5.062) 7.098 8.892 ( 1.566 24.274 -15.585) 28.889 9.308 ( -8.879 25.534 5.771) 27.642 9.560 ( 0.723 -2.010 -6.729) 7.060 9.692 ( -0.797 7.369 -4.797) 8.828 10.116 ( -3.894 -8.638 -11.512) 14.910 10.527 ( 0.026 -11.024 5.379) 12.266 10.756 ( 0.136 -3.932 -6.639) 7.717 11.022 ( 0.741 -10.047 11.733) 15.465 11.318 ( 5.765 -1.145 8.835) 10.612 11.352 ( 4.057 -6.656 14.730) 16.665 12.014 ( 7.892 4.076 -2.633) 9.265 12.170 ( 3.960 -3.895 -4.188) 6.956 12.913 ( -1.600 3.206 -2.642) 4.452 13.051 ( -3.883 -0.781 -3.955) 5.597 13.642 ( -0.103 35.253 1.609) 35.290 14.127 ( 2.759 27.865 -0.069) 28.002 15.564 ( 3.295 -32.015 7.081) 32.954 15.671 ( 9.202 -28.674 -5.486) 30.610 17.776 ( -1.004 9.681 -0.338) 9.739 18.095 ( -9.502 -6.243 -0.823) 11.399 20.213 ( -8.609 5.645 0.511) 10.308 20.341 ( -13.828 -0.071 0.116) 13.828 ======================= Grid point 48 (29/312) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.499 ( 5.556 19.956 4.639) 21.228 3.777 ( 12.233 12.875 -3.558) 18.113 4.305 ( -14.620 10.104 -1.771) 17.860 4.708 ( 12.635 18.446 6.536) 23.294 5.053 ( -7.252 -21.594 -0.392) 22.783 5.307 ( -4.643 -2.716 -0.664) 5.420 5.923 ( 8.428 1.745 7.347) 11.317 6.202 ( -7.030 -5.405 -2.486) 9.210 6.407 ( 2.957 -6.026 9.667) 11.769 6.725 ( -1.945 -17.136 -6.142) 18.307 7.155 ( -2.583 -5.281 -0.297) 5.887 7.194 ( -1.840 -8.100 -4.601) 9.496 8.300 ( 8.079 9.865 5.557) 13.910 8.528 ( -1.304 -3.806 -1.680) 4.360 8.964 ( 13.145 22.356 -19.582) 32.496 9.105 ( -10.308 22.580 1.031) 24.843 9.600 ( -3.599 5.403 -12.241) 13.856 9.611 ( -0.928 5.813 7.225) 9.320 9.901 ( -11.214 3.124 -3.162) 12.063 10.564 ( 0.667 -25.743 2.214) 25.846 10.752 ( 1.165 4.657 -2.899) 5.608 11.070 ( 1.179 -5.797 4.126) 7.213 11.377 ( 1.713 -2.795 6.783) 7.533 11.567 ( 8.105 -10.171 10.365) 16.630 12.109 ( 2.889 3.752 -1.199) 4.884 12.195 ( 0.145 -0.881 -3.697) 3.803 12.867 ( -2.022 2.516 -1.514) 3.565 12.973 ( -2.471 -2.663 -2.528) 4.425 13.655 ( 0.717 38.676 0.663) 38.688 14.187 ( 2.915 34.465 0.007) 34.589 15.599 ( 0.419 -34.294 1.510) 34.329 15.862 ( 8.802 -28.437 -0.382) 29.770 17.758 ( -0.438 6.342 -0.651) 6.391 17.914 ( -8.113 -2.575 -0.507) 8.527 20.066 ( -6.203 4.237 0.128) 7.513 20.143 ( -6.441 0.520 0.623) 6.492 ======================= Grid point 49 (30/312) ======================= q-point: (-0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.567 ( 0.000 18.635 -0.000) 18.635 4.021 ( -0.000 -2.313 0.000) 2.313 4.025 ( 0.000 25.653 -0.000) 25.653 4.917 ( 0.000 -17.765 0.000) 17.765 4.923 ( -0.000 13.598 -0.000) 13.598 5.224 ( -0.000 4.461 -0.000) 4.461 6.071 ( 0.000 -10.403 0.000) 10.403 6.084 ( -0.000 0.985 -0.000) 0.985 6.466 ( 0.000 -6.875 0.000) 6.875 6.694 ( 0.000 -20.168 -0.000) 20.168 7.128 ( 0.000 -5.343 0.000) 5.343 7.165 ( 0.000 -8.286 -0.000) 8.286 8.419 ( -0.000 2.079 -0.000) 2.079 8.490 ( 0.000 1.507 -0.000) 1.507 8.994 ( 0.000 23.214 -0.000) 23.214 9.178 ( -0.000 7.431 0.000) 7.431 9.388 ( 0.000 26.267 -0.000) 26.267 9.662 ( -0.000 2.542 -0.000) 2.542 9.777 ( 0.000 3.953 -0.000) 3.953 10.570 ( 0.000 -30.406 -0.000) 30.406 10.762 ( 0.000 8.062 -0.000) 8.062 11.089 ( 0.000 -4.794 -0.000) 4.794 11.413 ( 0.000 -3.593 -0.000) 3.593 11.674 ( 0.000 -12.633 0.000) 12.633 12.133 ( 0.000 3.487 0.000) 3.487 12.180 ( 0.000 1.318 -0.000) 1.318 12.842 ( 0.000 2.551 0.000) 2.551 12.945 ( 0.000 -3.245 0.000) 3.245 13.664 ( 0.000 39.509 -0.000) 39.509 14.219 ( 0.000 37.145 0.000) 37.145 15.605 ( 0.000 -34.133 -0.000) 34.133 15.954 ( 0.000 -29.400 0.000) 29.400 17.759 ( 0.000 5.928 0.000) 5.928 17.819 ( -0.000 -1.943 0.000) 1.943 20.002 ( 0.000 4.134 0.000) 4.134 20.084 ( 0.000 0.140 0.000) 0.140 ======================= Grid point 55 (31/312) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 0.000 -10.211 0.000) 10.211 3.447 ( 0.000 10.211 0.000) 10.211 3.830 ( 0.000 -36.265 0.000) 36.265 3.830 ( 0.000 36.265 0.000) 36.265 5.230 ( 0.000 -16.059 0.000) 16.059 5.230 ( 0.000 16.059 0.000) 16.059 5.913 ( 0.000 -20.012 0.000) 20.012 5.913 ( 0.000 20.012 0.000) 20.012 6.958 ( 0.000 -1.882 0.000) 1.882 6.958 ( 0.000 1.882 0.000) 1.882 7.640 ( 0.000 -7.473 0.000) 7.473 7.640 ( 0.000 7.473 0.000) 7.473 8.728 ( 0.000 -25.785 0.000) 25.785 8.728 ( 0.000 25.785 0.000) 25.785 9.202 ( 0.000 -18.726 0.000) 18.726 9.202 ( 0.000 18.726 0.000) 18.726 9.711 ( 0.000 -7.739 0.000) 7.739 9.711 ( 0.000 7.739 0.000) 7.739 10.180 ( 0.000 -32.897 0.000) 32.897 10.180 ( 0.000 32.897 0.000) 32.897 10.640 ( 0.000 -0.482 0.000) 0.482 10.640 ( 0.000 0.482 0.000) 0.482 11.188 ( 0.000 -10.763 0.000) 10.763 11.188 ( 0.000 10.763 0.000) 10.763 11.708 ( 0.000 -13.127 0.000) 13.127 11.708 ( 0.000 13.127 0.000) 13.127 13.115 ( 0.000 -6.149 0.000) 6.149 13.115 ( 0.000 6.149 0.000) 6.149 14.188 ( 0.000 -13.037 0.000) 13.037 14.188 ( 0.000 13.037 0.000) 13.037 15.055 ( 0.000 -9.706 0.000) 9.706 15.055 ( 0.000 9.706 0.000) 9.706 18.111 ( 0.000 -15.639 0.000) 15.639 18.111 ( 0.000 15.639 0.000) 15.639 20.823 ( 0.000 -12.239 0.000) 12.239 20.823 ( 0.000 12.239 0.000) 12.239 ======================= Grid point 57 (32/312) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( 2.552 -8.042 -1.154) 8.516 3.467 ( 2.552 8.042 -1.154) 8.516 4.006 ( 15.180 -32.771 9.371) 37.313 4.006 ( 15.180 32.771 9.371) 37.313 5.176 ( -5.434 -15.839 0.250) 16.747 5.176 ( -5.434 15.839 0.250) 16.747 5.924 ( 1.132 -19.552 0.358) 19.588 5.924 ( 1.132 19.552 0.358) 19.588 6.941 ( -2.313 -2.857 0.276) 3.686 6.941 ( -2.313 2.857 0.276) 3.686 7.521 ( -9.695 -6.304 -7.133) 13.588 7.521 ( -9.695 6.304 -7.133) 13.588 8.620 ( -8.142 -20.834 -4.104) 22.742 8.620 ( -8.142 20.834 -4.104) 22.742 9.274 ( 5.403 -16.706 1.370) 17.611 9.274 ( 5.403 16.706 1.370) 17.611 9.748 ( 3.246 -5.654 -4.402) 7.866 9.748 ( 3.246 5.654 -4.402) 7.866 10.168 ( -1.437 -28.014 3.287) 28.242 10.168 ( -1.437 28.014 3.287) 28.242 10.666 ( 3.067 -5.047 -2.194) 6.300 10.666 ( 3.067 5.047 -2.194) 6.300 11.195 ( -0.748 -9.207 8.770) 12.737 11.195 ( -0.748 9.207 8.770) 12.737 11.779 ( 7.463 -10.975 -3.139) 13.638 11.779 ( 7.463 10.975 -3.139) 13.638 13.102 ( -1.059 -6.373 -2.171) 6.815 13.102 ( -1.059 6.373 -2.171) 6.815 14.197 ( 0.765 -13.940 1.780) 14.074 14.197 ( 0.765 13.940 1.780) 14.074 15.071 ( 1.796 -8.387 -0.706) 8.606 15.071 ( 1.796 8.387 -0.706) 8.606 18.094 ( -1.749 -14.780 0.185) 14.884 18.094 ( -1.749 14.780 0.185) 14.884 20.742 ( -7.954 -10.684 -0.006) 13.320 20.742 ( -7.954 10.684 -0.006) 13.320 ======================= Grid point 59 (33/312) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( 5.404 -6.341 -0.778) 8.367 3.542 ( 5.404 6.341 -0.778) 8.367 4.410 ( 20.526 -27.735 13.464) 37.038 4.410 ( 20.526 27.735 13.464) 37.038 5.031 ( -9.247 -15.467 -0.444) 18.026 5.031 ( -9.247 15.467 -0.444) 18.026 5.958 ( 2.068 -17.488 1.476) 17.671 5.958 ( 2.068 17.488 1.476) 17.671 6.834 ( -9.335 -4.829 -1.183) 10.577 6.834 ( -9.335 4.829 -1.183) 10.577 7.303 ( -8.082 -2.823 -7.036) 11.081 7.303 ( -8.082 2.823 -7.036) 11.081 8.464 ( -5.089 -15.411 -5.112) 17.016 8.464 ( -5.089 15.411 -5.112) 17.016 9.356 ( 2.494 -19.278 -4.057) 19.857 9.356 ( 2.494 19.278 -4.057) 19.857 9.768 ( 0.853 -3.697 -6.622) 7.631 9.768 ( 0.853 3.697 -6.622) 7.631 10.152 ( -1.259 -24.932 0.595) 24.971 10.152 ( -1.259 24.932 0.595) 24.971 10.742 ( 4.585 -3.956 2.268) 6.467 10.742 ( 4.585 3.956 2.268) 6.467 11.223 ( 0.101 -6.009 12.668) 14.022 11.223 ( 0.101 6.009 12.668) 14.022 11.944 ( 9.755 -6.946 -3.704) 12.534 11.944 ( 9.755 6.946 -3.704) 12.534 13.058 ( -2.512 -5.925 -3.431) 7.293 13.058 ( -2.512 5.925 -3.431) 7.293 14.236 ( 2.616 -16.727 2.598) 17.128 14.236 ( 2.616 16.727 2.598) 17.128 15.123 ( 3.945 -5.530 -0.923) 6.856 15.123 ( 3.945 5.530 -0.923) 6.856 18.042 ( -3.736 -12.258 0.067) 12.815 18.042 ( -3.736 12.258 0.067) 12.815 20.539 ( -12.194 -7.056 0.212) 14.089 20.539 ( -12.194 7.056 0.212) 14.089 ======================= Grid point 61 (34/312) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.664 ( 7.027 -6.649 0.079) 9.675 3.664 ( 7.027 6.649 0.079) 9.675 4.805 ( 2.900 -19.682 6.266) 20.858 4.805 ( 2.900 19.682 6.266) 20.858 4.844 ( 2.116 -18.721 3.925) 19.245 4.844 ( 2.116 18.721 3.925) 19.245 6.013 ( 2.557 -14.042 2.869) 14.558 6.013 ( 2.557 14.042 2.869) 14.558 6.607 ( -11.313 -8.745 -2.192) 14.466 6.607 ( -11.313 8.745 -2.192) 14.466 7.177 ( -3.814 -0.500 -4.227) 5.715 7.177 ( -3.814 0.500 -4.227) 5.715 8.407 ( 0.420 -10.242 -2.571) 10.568 8.407 ( 0.420 10.242 -2.571) 10.568 9.334 ( -0.827 -19.132 -14.066) 23.760 9.334 ( -0.827 19.132 -14.066) 23.760 9.761 ( -0.461 -10.036 1.954) 10.235 9.761 ( -0.461 10.036 1.954) 10.235 10.104 ( -2.955 -19.344 -5.895) 20.437 10.104 ( -2.955 19.344 -5.895) 20.437 10.841 ( 3.758 -8.555 4.933) 10.566 10.841 ( 3.758 8.555 4.933) 10.566 11.294 ( 2.877 -0.794 12.694) 13.040 11.294 ( 2.877 0.794 12.694) 13.040 12.095 ( 6.470 -3.921 -3.192) 8.211 12.095 ( 6.470 3.921 -3.192) 8.211 12.986 ( -3.448 -4.170 -3.224) 6.298 12.986 ( -3.448 4.170 -3.224) 6.298 14.311 ( 3.911 -21.357 2.113) 21.815 14.311 ( 3.911 21.357 2.113) 21.815 15.217 ( 5.810 -9.976 -0.553) 11.558 15.217 ( 5.810 9.976 -0.553) 11.558 17.953 ( -5.193 -8.359 -0.261) 9.844 17.953 ( -5.193 8.359 -0.261) 9.844 20.305 ( -11.314 -3.495 0.496) 11.852 20.305 ( -11.314 3.495 0.496) 11.852 ======================= Grid point 63 (35/312) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( 6.342 -9.351 0.742) 11.323 3.800 ( 6.342 9.351 0.742) 11.323 4.610 ( -9.310 -19.750 -1.871) 21.914 4.610 ( -9.310 19.750 -1.871) 21.914 5.087 ( 7.580 -16.266 6.220) 18.993 5.087 ( 7.580 16.266 6.220) 18.993 6.056 ( 0.464 -9.392 2.308) 9.682 6.056 ( 0.464 9.392 2.308) 9.682 6.447 ( -4.089 -9.679 -0.646) 10.528 6.447 ( -4.089 9.679 -0.646) 10.528 7.106 ( -2.342 -0.732 -2.382) 3.420 7.106 ( -2.342 0.732 -2.382) 3.420 8.437 ( 2.117 -5.300 0.228) 5.711 8.437 ( 2.117 5.300 0.228) 5.711 9.276 ( 0.139 -8.081 -11.291) 13.886 9.276 ( 0.139 8.082 -11.291) 13.886 9.756 ( -0.712 -6.507 0.475) 6.563 9.756 ( -0.712 6.507 0.475) 6.563 10.012 ( -4.082 -22.220 -2.836) 22.770 10.012 ( -4.082 22.220 -2.836) 22.770 10.908 ( 1.725 -9.706 2.788) 10.245 10.908 ( 1.725 9.706 2.788) 10.245 11.403 ( 3.716 -5.545 8.414) 10.740 11.403 ( 3.716 5.545 8.414) 10.740 12.167 ( 2.120 -2.143 -2.173) 3.716 12.167 ( 2.120 2.143 -2.173) 3.716 12.916 ( -2.487 -2.761 -1.895) 4.171 12.916 ( -2.487 2.761 -1.895) 4.171 14.384 ( 2.714 -26.228 1.023) 26.388 14.384 ( 2.714 26.228 1.023) 26.388 15.327 ( 4.919 -18.465 -0.094) 19.109 15.327 ( 4.919 18.465 -0.094) 19.109 17.855 ( -4.189 -3.940 -0.351) 5.762 17.855 ( -4.189 3.940 -0.351) 5.762 20.129 ( -6.524 -2.025 0.450) 6.846 20.129 ( -6.524 2.025 0.450) 6.846 ======================= Grid point 65 (36/312) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.874 ( 0.000 -12.308 -0.000) 12.308 3.874 ( 0.000 12.308 -0.000) 12.308 4.503 ( 0.000 -23.033 -0.000) 23.033 4.503 ( 0.000 23.033 -0.000) 23.033 5.168 ( 0.000 -10.348 0.000) 10.348 5.168 ( 0.000 10.348 0.000) 10.348 6.058 ( 0.000 -4.777 0.000) 4.777 6.058 ( 0.000 4.777 0.000) 4.777 6.417 ( 0.000 -4.820 0.000) 4.820 6.417 ( 0.000 4.820 -0.000) 4.820 7.078 ( 0.000 -0.630 0.000) 0.630 7.078 ( 0.000 0.630 -0.000) 0.630 8.462 ( 0.000 -2.290 -0.000) 2.290 8.462 ( 0.000 2.290 -0.000) 2.290 9.263 ( 0.000 -0.934 0.000) 0.934 9.263 ( -0.000 0.934 0.000) 0.934 9.745 ( 0.000 -9.410 0.000) 9.410 9.745 ( 0.000 9.410 0.000) 9.410 9.963 ( 0.000 -28.284 -0.000) 28.284 9.963 ( 0.000 28.284 -0.000) 28.284 10.929 ( 0.000 -9.622 -0.000) 9.622 10.929 ( 0.000 9.622 -0.000) 9.622 11.459 ( 0.000 -7.833 -0.000) 7.833 11.459 ( 0.000 7.833 0.000) 7.833 12.180 ( 0.000 -1.261 -0.000) 1.261 12.180 ( 0.000 1.261 -0.000) 1.261 12.887 ( 0.000 -2.510 0.000) 2.510 12.887 ( 0.000 2.510 0.000) 2.510 14.414 ( 0.000 -28.280 0.000) 28.280 14.414 ( 0.000 28.280 -0.000) 28.280 15.379 ( 0.000 -22.179 0.000) 22.179 15.379 ( 0.000 22.179 0.000) 22.179 17.810 ( 0.000 -0.330 0.000) 0.330 17.810 ( 0.000 0.330 0.000) 0.330 20.066 ( 0.000 -2.174 0.000) 2.174 20.066 ( 0.000 2.174 0.000) 2.174 ======================= Grid point 121 (37/312) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 5.809 0.000 36.229) 36.691 0.793 ( -1.960 0.000 40.601) 40.648 1.640 ( -5.312 0.000 79.617) 79.794 2.699 ( -3.618 0.000 15.774) 16.184 5.018 ( -4.296 0.000 -2.296) 4.871 5.268 ( -21.227 0.000 18.807) 28.360 6.272 ( 3.122 0.000 -9.187) 9.703 6.813 ( 5.608 0.000 -16.599) 17.521 7.013 ( 3.791 0.000 -5.231) 6.460 7.115 ( 0.859 0.000 4.189) 4.276 7.475 ( -3.664 0.000 -16.471) 16.873 7.710 ( 7.040 0.000 -7.404) 10.216 8.022 ( -2.824 0.000 15.056) 15.319 8.131 ( 20.173 0.000 5.160) 20.822 8.289 ( 2.898 0.000 5.511) 6.227 8.932 ( -10.446 0.000 -1.178) 10.512 9.241 ( -5.279 0.000 3.467) 6.316 9.668 ( 2.246 0.000 10.951) 11.179 9.708 ( -0.500 0.000 4.743) 4.769 9.789 ( 8.120 0.000 8.768) 11.950 10.074 ( -3.591 0.000 22.395) 22.681 10.675 ( 5.659 0.000 2.617) 6.235 11.234 ( -16.594 0.000 -0.940) 16.621 11.669 ( -0.507 0.000 -3.281) 3.320 12.355 ( -1.586 0.000 -9.305) 9.439 12.496 ( -0.559 0.000 -10.179) 10.194 12.851 ( 1.857 0.000 9.077) 9.265 13.265 ( -4.034 0.000 -2.939) 4.991 13.369 ( 15.776 0.000 -6.785) 17.173 13.434 ( 0.002 0.000 -0.121) 0.121 16.307 ( -5.496 0.000 -13.772) 14.828 16.602 ( 1.829 0.000 -11.203) 11.351 17.388 ( -8.415 0.000 13.378) 15.804 19.786 ( -1.363 0.000 -5.821) 5.979 19.932 ( 3.194 0.000 2.270) 3.918 20.608 ( -24.370 0.000 -1.828) 24.439 ======================= Grid point 122 (38/312) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 26.144 0.000 30.341) 40.051 1.352 ( 22.527 0.000 39.777) 45.713 2.239 ( 45.097 0.000 51.960) 68.801 2.709 ( 0.615 0.000 17.493) 17.504 4.862 ( -22.815 0.000 24.038) 33.141 4.883 ( -7.925 0.000 -5.830) 9.838 6.410 ( 13.537 0.000 -8.618) 16.048 6.817 ( 0.845 0.000 -19.974) 19.992 7.048 ( 0.882 0.000 -4.904) 4.983 7.133 ( -0.494 0.000 4.230) 4.258 7.312 ( -6.087 0.000 -16.299) 17.399 7.854 ( 10.029 0.000 -4.242) 10.889 7.969 ( -8.215 0.000 17.838) 19.638 8.326 ( 0.459 0.000 6.051) 6.068 8.398 ( 4.227 0.000 8.828) 9.788 8.691 ( -10.907 0.000 -8.974) 14.124 9.193 ( 0.371 0.000 2.250) 2.281 9.729 ( 0.247 0.000 9.929) 9.932 9.772 ( 3.038 0.000 6.629) 7.292 9.795 ( -4.674 0.000 14.396) 15.136 10.074 ( -4.230 0.000 22.095) 22.497 10.881 ( 12.471 0.000 7.300) 14.450 11.296 ( 9.721 0.000 -22.029) 24.078 11.649 ( -0.107 0.000 -4.543) 4.544 12.258 ( -5.320 0.000 -9.358) 10.765 12.460 ( 0.897 0.000 -11.197) 11.233 12.927 ( 2.072 0.000 10.279) 10.486 13.101 ( -10.889 0.000 -7.258) 13.086 13.400 ( -3.419 0.000 -0.036) 3.419 13.477 ( -2.565 0.000 -7.416) 7.847 16.153 ( -3.939 0.000 15.117) 15.622 16.596 ( 1.523 0.000 -11.293) 11.396 17.276 ( -5.532 0.000 8.464) 10.111 19.748 ( -0.623 0.000 -4.672) 4.714 19.768 ( -39.229 0.000 24.001) 45.988 19.987 ( 1.435 0.000 2.344) 2.749 ======================= Grid point 123 (39/312) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 15.295 0.000 47.493) 49.895 1.874 ( 32.300 0.000 22.106) 39.140 2.670 ( -0.472 0.000 10.580) 10.590 3.619 ( 67.326 0.000 31.835) 74.473 4.540 ( -19.188 0.000 20.144) 27.820 4.682 ( -10.474 0.000 -6.920) 12.553 6.696 ( 17.677 0.000 -9.361) 20.002 6.701 ( -4.090 0.000 -27.360) 27.664 6.986 ( -5.762 0.000 -6.829) 8.935 7.130 ( -0.909 0.000 2.651) 2.803 7.170 ( -4.221 0.000 -4.735) 6.343 7.869 ( -6.254 0.000 14.263) 15.574 8.055 ( 11.556 0.000 -4.047) 12.244 8.326 ( -1.850 0.000 9.569) 9.746 8.450 ( -3.903 0.000 4.519) 5.971 8.510 ( -1.994 0.000 -8.835) 9.057 9.279 ( 6.600 0.000 5.615) 8.665 9.710 ( -5.795 0.000 14.627) 15.733 9.742 ( -2.371 0.000 9.255) 9.553 9.978 ( 11.448 0.000 7.948) 13.937 10.050 ( -6.204 0.000 20.050) 20.988 11.158 ( -14.252 0.000 -18.030) 22.983 11.166 ( 13.672 0.000 7.165) 15.436 11.641 ( 1.364 0.000 -5.690) 5.851 12.135 ( -5.126 0.000 -5.433) 7.469 12.462 ( 3.181 0.000 -11.006) 11.456 12.810 ( -15.347 0.000 -10.472) 18.579 12.978 ( -1.214 0.000 10.232) 10.304 13.286 ( -13.365 0.000 -0.843) 13.391 13.314 ( -4.873 0.000 0.724) 4.927 16.303 ( 11.264 0.000 17.199) 20.559 16.586 ( 1.440 0.000 -11.283) 11.374 17.225 ( -2.020 0.000 1.722) 2.654 19.323 ( -16.727 0.000 9.481) 19.227 19.734 ( 0.585 0.000 -3.279) 3.331 19.999 ( -0.933 0.000 1.659) 1.904 ======================= Grid point 124 (40/312) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 16.158 0.000 45.262) 48.060 2.568 ( 31.618 0.000 18.272) 36.519 2.680 ( -1.587 0.000 8.659) 8.803 4.234 ( -18.875 0.000 19.964) 27.474 4.430 ( -13.467 0.000 -5.499) 14.546 5.042 ( 68.366 0.000 19.968) 71.222 6.516 ( -3.403 0.000 -31.392) 31.576 6.790 ( -10.621 0.000 -7.754) 13.150 6.969 ( 11.782 0.000 -9.816) 15.335 7.120 ( -1.715 0.000 6.270) 6.500 7.127 ( 1.213 0.000 0.266) 1.242 7.847 ( 0.008 0.000 6.881) 6.881 8.210 ( 1.057 0.000 5.422) 5.524 8.339 ( -4.484 0.000 -4.870) 6.620 8.368 ( 7.251 0.000 -5.377) 9.027 8.500 ( -0.493 0.000 2.013) 2.073 9.444 ( 6.990 0.000 7.623) 10.342 9.616 ( -11.247 0.000 7.523) 13.531 9.698 ( -4.813 0.000 6.461) 8.056 9.924 ( -12.881 0.000 15.026) 19.791 10.177 ( 1.607 0.000 15.727) 15.809 10.925 ( 2.954 0.000 -1.705) 3.411 11.431 ( 10.543 0.000 4.450) 11.444 11.679 ( 5.456 0.000 -6.515) 8.498 11.955 ( -12.640 0.000 -4.296) 13.350 12.458 ( -17.260 0.000 -10.825) 20.374 12.508 ( 4.872 0.000 -8.720) 9.989 12.917 ( -8.177 0.000 6.515) 10.455 13.032 ( -11.216 0.000 1.603) 11.330 13.248 ( -2.506 0.000 4.685) 5.313 16.577 ( 1.540 0.000 -11.218) 11.323 16.614 ( 13.105 0.000 16.594) 21.145 17.203 ( 0.290 0.000 -3.626) 3.637 19.091 ( -9.900 0.000 -0.129) 9.901 19.747 ( 1.707 0.000 -2.348) 2.903 19.964 ( -2.895 0.000 0.641) 2.966 ======================= Grid point 125 (41/312) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -3.235 0.000 18.834) 19.110 2.755 ( 12.758 0.000 31.985) 34.435 3.191 ( 25.154 0.000 15.912) 29.764 3.956 ( -15.771 0.000 20.618) 25.958 4.129 ( -15.184 0.000 -2.262) 15.352 6.324 ( 53.881 0.000 3.831) 54.017 6.395 ( 2.244 0.000 -30.101) 30.184 6.572 ( -8.429 0.000 -6.960) 10.931 7.043 ( 3.455 0.000 -0.531) 3.496 7.127 ( -0.810 0.000 10.368) 10.400 7.226 ( 7.327 0.000 -4.950) 8.842 7.902 ( 4.072 0.000 1.098) 4.218 8.123 ( -13.125 0.000 7.667) 15.200 8.273 ( -0.751 0.000 -1.608) 1.775 8.465 ( 2.268 0.000 -12.850) 13.048 8.491 ( -1.788 0.000 5.454) 5.740 9.239 ( -20.605 0.000 -3.193) 20.851 9.570 ( 3.064 0.000 6.104) 6.830 9.607 ( -5.822 0.000 1.955) 6.142 9.815 ( -4.814 0.000 19.508) 20.094 10.194 ( -4.155 0.000 22.796) 23.172 11.247 ( 22.873 0.000 5.592) 23.546 11.561 ( 2.547 0.000 0.146) 2.552 11.670 ( -11.722 0.000 -4.575) 12.584 11.837 ( 11.937 0.000 -5.539) 13.159 12.050 ( -21.372 0.000 -8.665) 23.062 12.581 ( 4.255 0.000 -4.719) 6.354 12.732 ( -11.030 0.000 2.571) 11.325 12.895 ( -3.992 0.000 3.013) 5.001 13.234 ( -1.685 0.000 7.937) 8.114 16.570 ( 1.731 0.000 -11.157) 11.291 16.854 ( 3.811 0.000 18.057) 18.455 17.235 ( 5.577 0.000 -6.581) 8.626 18.927 ( -5.969 0.000 -5.148) 7.882 19.779 ( 2.159 0.000 -2.507) 3.309 19.900 ( -3.439 0.000 -0.047) 3.440 ======================= Grid point 126 (42/312) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -7.315 0.000 12.177) 14.205 3.006 ( -2.994 0.000 38.160) 38.278 3.422 ( -12.869 0.000 6.782) 14.546 3.851 ( 0.236 0.000 22.483) 22.485 4.039 ( 12.159 0.000 8.767) 14.990 6.404 ( 6.356 0.000 -18.379) 19.447 6.436 ( -1.180 0.000 -14.129) 14.178 6.568 ( -18.736 0.000 -25.779) 31.868 7.152 ( -0.064 0.000 9.632) 9.632 7.281 ( 3.495 0.000 -5.732) 6.714 7.534 ( 16.978 0.000 16.922) 23.971 7.739 ( -16.116 0.000 1.071) 16.151 8.001 ( 6.012 0.000 -3.615) 7.016 8.316 ( 4.937 0.000 5.196) 7.168 8.465 ( -3.603 0.000 9.684) 10.333 8.518 ( 14.883 0.000 4.429) 15.528 8.987 ( -6.322 0.000 -13.307) 14.732 9.496 ( -5.238 0.000 -2.201) 5.682 9.600 ( -1.439 0.000 3.185) 3.495 9.778 ( -6.407 0.000 17.271) 18.421 10.193 ( -4.123 0.000 23.689) 24.045 11.460 ( -5.811 0.000 -1.715) 6.059 11.571 ( -0.809 0.000 -1.722) 1.902 11.575 ( -10.931 0.000 -3.959) 11.625 11.863 ( 22.651 0.000 3.913) 22.986 12.031 ( 7.341 0.000 -3.192) 8.005 12.482 ( -8.876 0.000 -3.573) 9.568 12.691 ( 3.410 0.000 0.917) 3.531 12.872 ( -0.121 0.000 3.523) 3.526 13.229 ( -1.528 0.000 8.164) 8.306 16.568 ( 1.974 0.000 -11.107) 11.281 16.875 ( -5.456 0.000 11.012) 12.289 17.355 ( 5.855 0.000 2.270) 6.280 18.839 ( -0.425 0.000 -7.691) 7.703 19.792 ( -0.563 0.000 -3.538) 3.583 19.857 ( 0.018 0.000 -0.292) 0.292 ======================= Grid point 127 (43/312) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -14.887 0.000 20.200) 25.093 2.931 ( -13.077 0.000 30.396) 33.090 2.976 ( -29.991 0.000 5.281) 30.452 4.096 ( 12.973 0.000 27.104) 30.049 4.418 ( 17.912 0.000 12.300) 21.728 5.745 ( -53.540 0.000 -19.695) 57.048 6.399 ( 2.223 0.000 -7.175) 7.512 6.531 ( 11.676 0.000 -20.388) 23.494 7.200 ( 2.554 0.000 5.865) 6.397 7.247 ( -5.211 0.000 -1.668) 5.472 7.369 ( -10.737 0.000 7.415) 13.049 7.763 ( -1.293 0.000 -11.044) 11.120 8.092 ( 5.002 0.000 -6.497) 8.199 8.408 ( -3.241 0.000 3.548) 4.805 8.503 ( 7.794 0.000 20.647) 22.070 8.734 ( -13.160 0.000 -9.147) 16.027 9.165 ( 34.773 0.000 6.754) 35.423 9.400 ( -3.618 0.000 -1.896) 4.084 9.550 ( -3.624 0.000 -0.392) 3.645 9.717 ( -2.693 0.000 12.165) 12.460 10.198 ( -3.414 0.000 22.333) 22.593 11.106 ( -16.804 0.000 -1.615) 16.882 11.514 ( -5.087 0.000 -1.757) 5.382 11.717 ( 15.827 0.000 0.040) 15.827 11.988 ( -10.382 0.000 1.759) 10.530 12.358 ( 23.588 0.000 4.725) 24.056 12.438 ( 6.621 0.000 -11.155) 12.972 12.747 ( 0.946 0.000 4.893) 4.984 12.903 ( 2.167 0.000 2.291) 3.153 13.236 ( -0.079 0.000 5.955) 5.956 16.572 ( 2.248 0.000 -11.042) 11.268 16.752 ( -9.776 0.000 5.792) 11.363 17.435 ( -0.017 0.000 10.897) 10.897 18.869 ( 6.069 0.000 -6.673) 9.020 19.758 ( -0.982 0.000 -2.349) 2.546 19.877 ( 1.625 0.000 -2.696) 3.148 ======================= Grid point 128 (44/312) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -23.249 0.000 35.913) 42.782 2.362 ( -35.234 0.000 8.623) 36.274 2.790 ( -9.816 0.000 19.434) 21.772 4.348 ( -25.982 0.000 10.318) 27.955 4.620 ( -27.303 0.000 11.809) 29.748 4.755 ( 12.461 0.000 10.726) 16.442 6.462 ( 7.106 0.000 -10.552) 12.722 6.699 ( 11.099 0.000 -13.485) 17.465 7.049 ( -14.855 0.000 -7.842) 16.798 7.226 ( -6.082 0.000 7.584) 9.721 7.292 ( 5.368 0.000 2.344) 5.857 7.689 ( -0.048 0.000 -15.872) 15.872 8.138 ( 1.523 0.000 -6.615) 6.788 8.346 ( -4.289 0.000 6.188) 7.529 8.398 ( -16.401 0.000 -8.840) 18.631 8.748 ( 9.513 0.000 19.001) 21.249 9.352 ( -2.080 0.000 3.824) 4.353 9.484 ( -1.750 0.000 -2.116) 2.746 9.545 ( 1.757 0.000 12.362) 12.487 9.873 ( 10.667 0.000 5.389) 11.951 10.169 ( -8.575 0.000 17.044) 19.080 11.026 ( 12.732 0.000 -0.155) 12.732 11.323 ( -14.579 0.000 -1.661) 14.673 11.802 ( -6.787 0.000 -0.195) 6.790 12.066 ( 18.235 0.000 4.991) 18.906 12.537 ( 5.698 0.000 -11.287) 12.644 12.759 ( 15.806 0.000 -2.913) 16.072 12.767 ( -0.548 0.000 7.343) 7.364 12.972 ( 4.973 0.000 1.543) 5.206 13.271 ( 2.163 0.000 2.880) 3.601 16.554 ( -11.818 0.000 4.726) 12.728 16.580 ( 2.469 0.000 -10.973) 11.247 17.443 ( -3.371 0.000 15.947) 16.299 19.024 ( 10.913 0.000 1.025) 10.961 19.751 ( 0.914 0.000 -1.061) 1.400 19.889 ( 0.828 0.000 -4.677) 4.749 ======================= Grid point 129 (45/312) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -37.321 0.000 14.565) 40.062 1.809 ( -26.347 0.000 49.630) 56.190 2.628 ( -18.613 0.000 6.791) 19.813 3.162 ( -59.371 0.000 9.601) 60.142 4.861 ( 11.806 0.000 35.909) 37.800 4.968 ( 6.433 0.000 7.237) 9.683 6.588 ( 9.620 0.000 -13.567) 16.632 6.682 ( -17.413 0.000 -10.906) 20.546 6.851 ( 8.049 0.000 -8.784) 11.914 7.162 ( -3.422 0.000 5.605) 6.567 7.415 ( 6.646 0.000 -0.219) 6.650 7.651 ( 1.076 0.000 -15.432) 15.470 8.082 ( -12.804 0.000 -5.789) 14.052 8.098 ( -3.064 0.000 -5.067) 5.921 8.294 ( -2.968 0.000 4.951) 5.773 8.977 ( 7.253 0.000 15.229) 16.868 9.313 ( -2.831 0.000 2.576) 3.827 9.504 ( 2.324 0.000 7.903) 8.238 9.578 ( -0.688 0.000 10.872) 10.894 9.925 ( -6.815 0.000 -0.657) 6.847 10.057 ( -5.372 0.000 24.693) 25.270 10.983 ( -17.538 0.000 -3.734) 17.931 11.435 ( 23.773 0.000 -11.521) 26.418 11.722 ( -2.084 0.000 -1.178) 2.394 12.436 ( 15.844 0.000 12.307) 20.063 12.564 ( 1.138 0.000 -9.326) 9.395 12.785 ( -0.263 0.000 6.949) 6.954 12.873 ( 1.972 0.000 -19.720) 19.818 13.142 ( 9.099 0.000 4.728) 10.254 13.336 ( 3.653 0.000 0.705) 3.721 16.367 ( -7.801 0.000 5.178) 9.363 16.592 ( 2.485 0.000 -10.964) 11.242 17.431 ( -3.543 0.000 19.009) 19.336 19.325 ( 18.293 0.000 20.366) 27.375 19.786 ( 2.675 0.000 0.476) 2.717 19.876 ( -0.299 0.000 -6.125) 6.132 ======================= Grid point 130 (46/312) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -32.454 0.000 26.692) 42.021 1.362 ( -46.586 0.000 26.113) 53.405 1.791 ( -41.586 0.000 48.814) 64.127 2.740 ( -7.396 0.000 18.121) 19.572 5.054 ( 0.761 0.000 2.546) 2.658 5.220 ( 11.585 0.000 35.541) 37.382 6.371 ( -9.585 0.000 -11.040) 14.621 6.723 ( 8.975 0.000 -15.750) 18.128 6.949 ( 4.913 0.000 -5.873) 7.657 7.118 ( -2.633 0.000 2.843) 3.875 7.517 ( 3.771 0.000 -6.940) 7.898 7.629 ( 2.398 0.000 -9.588) 9.883 7.906 ( -2.754 0.000 2.484) 3.708 8.028 ( -2.591 0.000 2.798) 3.813 8.265 ( -1.428 0.000 4.327) 4.557 9.063 ( -3.221 0.000 6.347) 7.117 9.297 ( -0.886 0.000 4.721) 4.803 9.584 ( 1.786 0.000 13.558) 13.675 9.619 ( 2.096 0.000 11.197) 11.392 9.774 ( -6.953 0.000 4.138) 8.091 10.065 ( -3.370 0.000 22.736) 22.985 10.699 ( -8.411 0.000 -3.774) 9.219 11.650 ( -1.272 0.000 -24.127) 24.160 11.691 ( -0.887 0.000 -2.078) 2.259 12.506 ( -10.791 0.000 -9.526) 14.394 12.539 ( -0.275 0.000 -9.062) 9.066 12.804 ( 0.099 0.000 7.524) 7.525 13.004 ( 19.116 0.000 0.109) 19.116 13.277 ( 3.228 0.000 0.717) 3.307 13.404 ( 2.892 0.000 -0.091) 2.894 16.327 ( 3.135 0.000 -5.547) 6.372 16.600 ( 2.228 0.000 -11.058) 11.280 17.438 ( -2.908 0.000 18.469) 18.697 19.831 ( -0.555 0.000 -4.372) 4.407 19.860 ( 2.956 0.000 -0.444) 2.989 20.008 ( 44.030 0.000 42.868) 61.452 ======================= Grid point 131 (47/312) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 4.856 31.836 23.969) 40.145 1.374 ( -2.090 33.824 33.422) 47.597 2.194 ( -2.462 54.686 52.435) 75.802 2.805 ( -3.117 11.976 12.698) 17.731 4.883 ( -5.303 -3.326 10.957) 12.619 5.435 ( -11.381 9.461 7.153) 16.438 6.176 ( 2.624 -9.699 -6.394) 11.910 6.754 ( 5.305 -6.074 -14.521) 16.610 7.027 ( 3.681 -0.334 -5.760) 6.844 7.195 ( 0.723 7.353 -2.796) 7.900 7.362 ( -3.949 -7.312 -14.794) 16.968 7.816 ( 5.546 6.635 -11.825) 14.649 7.885 ( 9.244 -13.868 12.155) 20.628 8.095 ( -3.560 2.944 17.070) 17.684 8.300 ( 0.002 0.782 2.644) 2.758 8.924 ( -8.033 0.026 -1.132) 8.112 9.194 ( -3.568 -3.846 2.389) 5.765 9.604 ( -0.152 -1.081 12.337) 12.386 9.864 ( -0.545 12.558 5.732) 13.815 9.994 ( 1.391 20.938 11.493) 23.925 10.224 ( -2.406 13.192 17.176) 21.790 10.619 ( 4.561 -3.784 2.760) 6.538 11.259 ( -2.114 3.811 0.046) 4.358 12.132 ( 3.284 12.831 -11.468) 17.519 12.294 ( -3.540 -3.747 -8.109) 9.609 12.402 ( -3.984 -7.442 -9.448) 12.669 12.826 ( 0.975 -1.327 8.655) 8.810 13.175 ( 0.332 -11.540 -5.929) 12.978 13.352 ( 0.406 5.193 1.601) 5.449 13.589 ( 4.623 8.131 -6.475) 11.376 16.150 ( 0.547 -13.338 -13.311) 18.852 16.736 ( 3.022 9.238 -13.465) 16.607 17.310 ( -6.807 -7.821 13.973) 17.399 19.246 ( -5.362 -25.554 19.220) 32.422 19.919 ( 2.216 4.511 -3.714) 6.250 21.065 ( -7.725 14.376 -26.669) 31.267 ======================= Grid point 132 (48/312) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 17.665 21.970 34.265) 44.372 1.609 ( 21.120 29.508 24.644) 43.865 2.705 ( 38.333 45.586 43.493) 73.751 2.802 ( -0.927 10.390 13.017) 16.681 4.758 ( -11.200 -0.489 10.671) 15.477 5.164 ( -15.474 16.251 1.603) 22.497 6.296 ( 11.127 -11.165 -4.792) 16.475 6.769 ( 1.607 -4.886 -17.655) 18.389 7.028 ( -2.611 -3.794 -1.781) 4.938 7.161 ( -3.512 -1.119 -5.660) 6.755 7.270 ( 0.128 0.658 -12.804) 12.822 7.832 ( 1.885 -1.160 -2.809) 3.576 8.002 ( -6.402 -8.435 11.519) 15.647 8.146 ( 7.840 1.013 10.311) 12.993 8.356 ( 1.590 -5.680 6.013) 8.423 8.744 ( -8.197 4.417 -5.116) 10.624 9.145 ( -0.787 -2.777 1.333) 3.180 9.641 ( -0.755 -3.557 11.356) 11.924 9.901 ( 2.850 14.139 7.183) 16.113 10.051 ( 0.210 20.334 12.652) 23.950 10.238 ( -2.232 14.613 16.533) 22.178 10.821 ( 12.076 -7.617 2.893) 14.567 11.229 ( -1.856 4.930 -0.984) 5.359 12.097 ( -3.425 14.904 -11.806) 19.320 12.181 ( -3.219 -0.674 -7.482) 8.173 12.359 ( 1.491 -10.773 -11.306) 15.688 12.874 ( 0.410 -3.326 7.241) 7.979 13.081 ( -6.968 -6.810 -5.316) 11.099 13.320 ( -4.406 0.946 2.053) 4.951 13.577 ( -4.302 4.754 -5.143) 8.219 16.138 ( 2.987 -5.476 -3.816) 7.312 16.749 ( 2.755 12.682 -11.246) 17.173 17.215 ( -6.495 -6.420 10.855) 14.186 19.140 ( -10.679 -23.544 15.731) 30.263 19.944 ( 1.200 3.804 -3.023) 5.005 20.516 ( -27.363 26.282 -10.891) 39.473 ======================= Grid point 133 (49/312) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 14.388 15.631 40.675) 45.889 2.191 ( 26.448 24.510 19.474) 40.982 2.819 ( 0.180 15.110 8.922) 17.549 3.855 ( 60.916 24.763 31.095) 72.739 4.535 ( -15.399 1.828 12.447) 19.884 4.882 ( -13.602 16.936 -2.565) 21.873 6.538 ( 14.255 -13.570 -6.743) 20.804 6.682 ( -2.715 -2.627 -23.885) 24.181 6.907 ( -9.071 -8.862 -1.865) 12.818 7.070 ( -2.695 -6.086 -3.134) 7.357 7.256 ( 0.857 7.761 -7.148) 10.586 7.784 ( -5.608 -5.976 6.099) 10.216 8.016 ( 1.939 -11.210 6.882) 13.296 8.303 ( 5.220 6.236 6.829) 10.620 8.399 ( 4.105 -5.385 -0.700) 6.807 8.596 ( -5.586 6.959 -3.606) 9.625 9.189 ( 4.045 -5.200 3.375) 7.402 9.645 ( -2.504 -3.311 10.712) 11.488 9.926 ( -5.074 16.601 7.669) 18.977 10.166 ( 5.686 14.274 16.151) 22.292 10.246 ( -1.132 18.586 11.102) 21.679 10.957 ( -1.413 -10.976 -6.655) 12.913 11.233 ( 6.149 6.045 6.262) 10.657 11.935 ( -7.158 9.930 -6.859) 14.032 12.125 ( -2.785 4.914 -5.206) 7.682 12.366 ( 3.038 -9.483 -10.381) 14.385 12.812 ( -8.194 -0.378 -8.348) 11.704 12.955 ( -4.857 -3.546 8.071) 10.066 13.204 ( -8.188 -0.286 3.431) 8.882 13.414 ( -9.573 4.284 -2.169) 10.710 16.263 ( 9.543 -4.699 0.206) 10.639 16.777 ( 3.599 16.157 -6.827) 17.905 17.145 ( -3.653 -7.840 5.354) 10.172 18.978 ( -9.687 -21.923 8.530) 25.440 19.934 ( -0.962 5.834 -4.720) 7.566 20.130 ( -11.414 15.007 -2.560) 19.027 ======================= Grid point 134 (50/312) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 15.734 11.739 40.015) 44.571 2.683 ( 10.763 9.279 14.623) 20.391 2.944 ( 16.402 25.429 10.115) 31.905 4.255 ( -17.419 2.954 14.727) 23.000 4.594 ( -14.374 14.822 -2.620) 20.813 5.172 ( 61.904 13.562 20.885) 66.724 6.501 ( -2.925 -1.415 -30.312) 30.485 6.687 ( -11.412 -10.828 -4.297) 16.308 6.806 ( 12.445 -14.799 -4.754) 19.912 7.048 ( 0.377 -4.593 1.601) 4.879 7.244 ( -0.121 9.431 -3.648) 10.113 7.725 ( -1.949 -10.117 2.541) 10.612 8.039 ( -1.774 -12.405 6.285) 14.020 8.342 ( -2.644 -4.931 9.293) 10.847 8.480 ( -1.801 4.015 -5.760) 7.249 8.598 ( 11.846 14.201 -5.236) 19.220 9.287 ( 3.018 -10.230 5.040) 11.797 9.619 ( -3.420 -3.416 7.267) 8.728 9.743 ( -16.067 9.268 1.011) 18.576 10.164 ( -7.667 20.805 15.765) 27.205 10.315 ( -1.923 11.751 15.007) 19.157 10.975 ( 12.166 5.140 -0.082) 13.208 11.446 ( 11.182 -0.168 2.932) 11.561 11.823 ( -3.305 8.696 -2.450) 9.620 11.984 ( -9.716 5.637 -4.092) 11.955 12.393 ( 1.213 -6.459 -7.884) 10.264 12.594 ( -9.207 7.763 -9.594) 15.397 12.856 ( -8.525 -4.159 7.627) 12.172 13.039 ( -9.399 0.423 2.748) 9.801 13.269 ( -4.520 1.799 3.069) 5.753 16.448 ( 8.700 -6.097 -3.918) 11.323 16.855 ( 5.056 16.329 3.470) 17.443 17.107 ( -0.670 -9.812 -1.780) 9.995 18.830 ( -7.272 -20.860 1.558) 22.146 19.889 ( -1.226 8.351 -5.761) 10.219 19.980 ( -5.251 3.003 0.065) 6.049 ======================= Grid point 135 (51/312) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -3.236 9.042 15.533) 18.262 2.836 ( 13.065 8.837 31.074) 34.848 3.450 ( 24.441 23.529 14.462) 36.880 3.981 ( -14.906 3.396 15.730) 21.935 4.281 ( -16.541 14.121 0.722) 21.761 6.246 ( 27.133 -7.802 5.744) 28.811 6.406 ( 6.994 -0.726 -35.616) 36.304 6.508 ( 1.625 -6.177 3.315) 7.197 6.970 ( 5.333 -11.212 -7.004) 14.255 7.103 ( 6.213 1.563 1.385) 6.555 7.259 ( 4.889 6.539 3.191) 8.766 7.715 ( 0.487 -13.514 -1.538) 13.610 8.007 ( -3.090 -10.852 5.307) 12.469 8.303 ( -3.503 -2.812 7.342) 8.607 8.420 ( -3.923 2.593 1.378) 4.901 8.756 ( 2.287 18.355 -6.929) 19.752 9.176 ( -15.463 -7.847 1.477) 17.403 9.501 ( -3.113 -0.219 3.885) 4.984 9.569 ( -2.768 -2.475 -1.193) 3.901 10.086 ( -4.951 22.989 14.740) 27.754 10.307 ( -4.124 10.229 21.498) 24.162 11.367 ( 23.275 9.693 3.732) 25.488 11.598 ( -0.079 -3.870 -5.302) 6.565 11.720 ( -3.120 7.377 4.435) 9.156 11.871 ( 1.782 7.704 -6.963) 10.536 12.190 ( -16.786 12.698 -6.132) 21.923 12.524 ( 0.723 -5.842 -2.534) 6.409 12.710 ( -7.422 -0.966 3.738) 8.366 12.905 ( -4.140 0.882 1.796) 4.598 13.234 ( -1.901 0.051 7.468) 7.707 16.549 ( 4.346 -2.032 -9.449) 10.597 16.940 ( -1.461 6.703 13.252) 14.922 17.146 ( 7.214 -7.325 -5.705) 11.758 18.710 ( -4.601 -19.212 -3.275) 20.025 19.861 ( 0.253 6.140 -5.068) 7.965 19.895 ( -3.613 -0.306 -0.488) 3.659 ======================= Grid point 136 (52/312) ======================= q-point: (-0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -8.183 8.315 10.296) 15.560 3.082 ( -2.190 8.075 34.602) 35.599 3.666 ( -13.921 21.089 4.611) 25.686 3.895 ( 0.686 6.385 19.324) 20.364 4.186 ( 14.174 13.414 12.708) 23.288 6.296 ( -2.520 -12.931 -1.974) 13.321 6.379 ( 5.753 -4.151 -26.818) 27.741 6.524 ( -18.096 -6.112 -19.325) 27.171 7.000 ( 0.686 -10.917 -0.674) 10.959 7.215 ( 4.380 -2.586 -6.249) 8.057 7.577 ( 11.876 -3.316 2.548) 12.591 7.674 ( -8.452 -4.072 4.845) 10.559 8.053 ( 8.399 2.901 5.480) 10.440 8.234 ( -3.532 -2.296 9.746) 10.617 8.407 ( 2.278 -1.884 9.290) 9.749 8.711 ( 6.620 13.974 7.649) 17.251 9.027 ( -2.446 -0.989 -8.901) 9.283 9.470 ( -3.176 -1.874 2.233) 4.311 9.514 ( -1.896 0.185 -5.015) 5.365 10.051 ( -4.342 21.372 12.765) 25.270 10.301 ( -4.215 10.147 21.946) 24.543 11.486 ( -0.458 2.189 -3.941) 4.531 11.629 ( -14.984 7.382 -2.763) 16.931 11.754 ( -0.457 6.313 -1.674) 6.547 11.933 ( 17.849 11.371 2.748) 21.341 12.043 ( 6.025 3.959 -1.202) 7.309 12.424 ( -7.291 -5.688 -1.859) 9.432 12.692 ( 2.835 0.486 2.398) 3.745 12.884 ( 0.328 1.696 3.311) 3.735 13.229 ( -1.369 -0.133 7.947) 8.065 16.568 ( 1.482 -0.338 -10.947) 11.052 16.899 ( -4.936 0.728 5.665) 7.549 17.294 ( 6.135 -4.321 5.591) 9.358 18.642 ( -0.469 -18.009 -5.828) 18.935 19.837 ( -1.108 1.531 -3.196) 3.712 19.865 ( 1.086 2.521 -3.222) 4.232 ======================= Grid point 137 (53/312) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -16.081 6.547 15.023) 22.960 3.008 ( -14.509 8.327 29.186) 33.640 3.262 ( -23.802 24.414 4.760) 34.427 4.112 ( 12.065 3.037 22.665) 25.855 4.605 ( 18.691 16.946 15.892) 29.817 5.748 ( -49.051 0.384 -17.204) 51.982 6.281 ( 2.761 -11.776 -6.879) 13.915 6.472 ( 9.118 -6.145 -20.789) 23.517 6.980 ( -2.905 -15.689 -2.482) 16.148 7.255 ( 1.764 0.086 -3.686) 4.087 7.498 ( -9.228 7.544 11.029) 16.239 7.618 ( -0.715 -11.493 -11.108) 15.999 8.089 ( 0.009 0.504 0.274) 0.573 8.303 ( -4.809 -11.413 19.334) 22.961 8.497 ( 8.376 4.050 1.641) 9.447 8.885 ( -7.502 6.743 -4.641) 11.103 9.249 ( 25.351 6.566 11.287) 28.517 9.417 ( 1.662 3.479 -5.949) 7.089 9.465 ( 1.226 -0.000 2.077) 2.412 9.998 ( -4.235 22.024 9.058) 24.188 10.296 ( -3.610 9.080 20.213) 22.451 11.232 ( -18.177 11.219 -2.923) 21.559 11.535 ( 1.767 0.869 -4.275) 4.707 11.751 ( -0.988 0.569 3.282) 3.474 12.003 ( -1.404 3.206 0.466) 3.531 12.315 ( 8.276 -6.106 -4.997) 11.434 12.489 ( 18.784 7.653 -0.058) 20.283 12.755 ( 1.671 1.068 5.776) 6.107 12.922 ( 2.183 2.437 3.415) 4.729 13.238 ( 0.162 0.092 5.549) 5.552 16.531 ( -2.075 -3.402 -9.163) 9.992 16.811 ( -4.326 3.047 -1.742) 5.571 17.390 ( 0.252 -2.930 13.699) 14.011 18.665 ( 4.774 -18.052 -4.415) 19.188 19.835 ( 2.418 5.082 -3.510) 6.633 19.881 ( 1.622 1.184 -4.234) 4.686 ======================= Grid point 138 (54/312) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -22.850 7.167 22.193) 32.650 2.652 ( -29.374 17.825 20.078) 39.795 2.972 ( -9.532 20.330 13.072) 25.981 4.397 ( -4.341 4.583 16.796) 17.943 4.597 ( -40.412 3.915 -3.179) 40.726 5.028 ( 9.117 21.827 17.366) 29.345 6.356 ( 7.769 -10.429 -10.281) 16.578 6.552 ( 2.975 -15.941 -13.558) 21.137 6.865 ( -5.491 -11.357 -5.727) 13.854 7.266 ( 0.394 5.714 -4.000) 6.986 7.424 ( -1.401 4.484 8.327) 9.561 7.571 ( 0.650 -8.157 -12.378) 14.839 8.105 ( 0.873 -3.378 -1.188) 3.686 8.193 ( -9.603 -8.814 5.690) 14.223 8.591 ( -4.190 10.595 -3.940) 12.056 8.812 ( 4.316 6.135 12.822) 14.855 9.286 ( -4.574 -4.745 2.913) 7.206 9.416 ( 0.007 1.125 3.461) 3.639 9.842 ( 8.477 20.466 8.368) 23.680 10.006 ( 6.150 13.766 3.722) 15.529 10.271 ( -6.911 9.207 15.292) 19.141 11.041 ( 1.986 3.067 0.924) 3.769 11.367 ( -16.589 1.693 -0.591) 16.686 11.756 ( 2.522 -5.016 -3.138) 6.431 12.144 ( 13.506 6.100 3.832) 15.308 12.406 ( 4.179 -10.905 -8.448) 14.414 12.789 ( 0.354 2.056 7.418) 7.706 12.856 ( 14.593 7.687 -3.490) 16.859 12.993 ( 4.888 2.559 5.613) 7.870 13.279 ( 2.866 0.936 1.225) 3.254 16.419 ( -6.648 -7.236 -5.794) 11.407 16.741 ( -0.835 6.860 -8.417) 10.891 17.406 ( -3.668 -2.358 17.890) 18.414 18.793 ( 8.447 -18.179 2.961) 20.263 19.893 ( 1.517 2.543 -5.464) 6.214 19.922 ( 8.030 10.571 -3.081) 13.628 ======================= Grid point 139 (55/312) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -24.380 13.949 24.824) 37.485 2.128 ( -32.189 20.401 24.672) 45.399 2.866 ( -7.275 21.215 10.971) 24.968 3.345 ( -59.429 22.086 6.391) 63.722 4.725 ( 7.800 -3.400 20.402) 22.105 5.289 ( 8.806 20.909 18.187) 29.078 6.422 ( -9.157 -21.483 -9.655) 25.270 6.502 ( 10.138 -8.096 -12.703) 18.157 6.841 ( 4.346 -2.673 -6.273) 8.086 7.236 ( -1.524 7.260 -4.030) 8.443 7.484 ( 4.880 -2.498 -1.589) 5.708 7.555 ( 0.551 -2.074 -6.554) 6.897 7.999 ( -9.595 -5.451 1.760) 11.175 8.095 ( -1.652 -1.278 -3.145) 3.775 8.463 ( -5.835 13.661 -0.525) 14.864 8.984 ( 5.618 1.713 12.744) 14.033 9.215 ( -3.256 -7.561 2.378) 8.569 9.471 ( 2.550 1.143 12.376) 12.687 9.873 ( -2.142 23.369 6.787) 24.429 10.075 ( -5.193 13.812 -1.829) 14.869 10.186 ( -2.852 11.510 21.355) 24.426 10.997 ( -18.290 0.250 -3.415) 18.608 11.220 ( 9.183 -10.160 -0.583) 13.707 11.850 ( 9.068 1.780 -5.974) 11.004 12.413 ( 1.040 -10.266 -3.434) 10.875 12.445 ( 11.755 -2.676 1.993) 12.219 12.804 ( -1.142 2.228 6.488) 6.955 12.976 ( 4.495 4.251 -8.769) 10.732 13.189 ( 9.090 5.115 3.984) 11.165 13.359 ( 5.718 3.716 -1.984) 7.102 16.266 ( -5.972 -8.764 -5.673) 12.027 16.718 ( 1.724 7.681 -11.547) 13.975 17.386 ( -4.484 -3.814 19.062) 19.950 18.997 ( 8.929 -19.368 14.405) 25.736 19.896 ( 1.002 2.997 -6.144) 6.909 20.170 ( 19.739 22.366 -1.060) 29.849 ======================= Grid point 140 (56/312) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -24.697 26.467 17.378) 40.156 1.545 ( -32.824 17.726 30.007) 47.875 2.395 ( -34.065 53.654 32.111) 71.206 2.840 ( -5.767 10.981 14.987) 19.454 4.879 ( 1.419 -4.737 15.417) 16.191 5.472 ( 3.013 13.012 15.424) 20.403 6.233 ( -5.543 -13.668 -7.853) 16.710 6.658 ( 9.718 -6.199 -14.674) 18.660 6.935 ( 6.690 -1.278 -4.816) 8.341 7.198 ( -0.346 7.635 -5.235) 9.264 7.496 ( -4.399 -3.700 -9.381) 11.002 7.590 ( 8.473 -4.700 -3.009) 10.146 7.898 ( -2.620 0.796 3.244) 4.245 8.057 ( -0.725 2.202 5.489) 5.958 8.363 ( -4.749 7.984 -0.185) 9.292 9.036 ( -3.935 -0.827 6.119) 7.322 9.209 ( 0.937 -6.762 3.677) 7.754 9.560 ( 0.529 0.315 16.448) 16.460 9.857 ( -1.346 19.918 6.651) 21.042 9.971 ( -3.172 16.893 4.544) 17.779 10.217 ( -2.511 13.378 18.878) 23.274 10.686 ( -10.732 -2.102 -3.206) 11.396 11.300 ( -0.114 -7.306 -1.842) 7.535 12.029 ( 10.259 3.474 -8.872) 14.001 12.368 ( -1.883 -10.824 -8.255) 13.742 12.548 ( -4.195 -2.555 -2.181) 5.375 12.796 ( -0.859 1.163 6.531) 6.690 13.089 ( 9.250 -2.315 -6.360) 11.462 13.310 ( 3.379 5.684 0.776) 6.658 13.482 ( 7.239 8.298 -3.476) 11.547 16.179 ( -0.191 -12.676 -10.820) 16.668 16.723 ( 2.908 7.869 -13.058) 15.521 17.364 ( -4.483 -6.920 17.297) 19.161 19.193 ( 3.745 -23.864 20.697) 31.810 19.898 ( 1.441 4.547 -5.561) 7.327 20.724 ( 35.959 25.325 -5.358) 44.307 ======================= Grid point 141 (57/312) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 5.391 37.016 16.521) 40.893 1.995 ( -2.376 32.150 30.031) 44.058 2.967 ( -3.045 18.212 20.523) 27.607 3.567 ( 1.378 63.825 13.239) 65.198 4.893 ( -3.134 2.922 8.385) 9.416 5.605 ( -3.886 3.633 8.499) 10.027 5.912 ( -0.116 -12.432 -0.519) 12.443 6.588 ( 5.267 -10.622 -14.091) 18.416 6.965 ( -0.972 -7.078 -2.835) 7.687 7.246 ( -5.716 -1.727 -10.778) 12.321 7.375 ( 1.404 7.731 -15.345) 17.240 7.580 ( 5.439 -15.715 11.038) 19.960 7.900 ( 2.949 2.527 -10.497) 11.192 8.225 ( -0.204 6.505 20.404) 21.417 8.397 ( -6.666 14.084 -1.535) 15.657 9.001 ( -5.679 8.072 0.182) 9.871 9.134 ( -0.265 -2.135 0.311) 2.174 9.618 ( -3.033 2.141 13.148) 13.662 10.105 ( 0.917 4.394 4.438) 6.312 10.362 ( 4.116 13.146 4.752) 14.572 10.509 ( -2.503 16.534 11.484) 20.286 10.725 ( 1.359 19.097 7.725) 20.645 11.344 ( 2.039 4.427 1.821) 5.204 11.961 ( 3.217 -19.404 -7.767) 21.147 12.084 ( -3.575 -15.906 -3.430) 16.660 12.422 ( -2.274 0.744 2.108) 3.188 12.798 ( -1.304 -3.451 0.212) 3.696 12.951 ( -1.603 -6.618 6.357) 9.315 13.515 ( -1.114 10.937 1.162) 11.055 13.677 ( 1.136 1.255 -2.706) 3.192 15.839 ( 3.412 -17.971 -11.272) 21.486 16.776 ( 2.707 -11.554 -5.187) 12.951 17.210 ( -3.749 4.000 5.802) 7.982 18.899 ( -2.695 -13.562 7.427) 15.695 20.048 ( 2.048 8.441 -6.845) 11.059 21.153 ( -1.698 -2.003 -21.661) 21.820 ======================= Grid point 142 (58/312) ======================= q-point: ( 0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 7.600 30.442 28.234) 42.210 2.183 ( 21.961 30.167 19.559) 42.129 3.048 ( 4.053 15.723 15.668) 22.564 3.824 ( 21.215 60.550 20.684) 67.411 4.805 ( -8.827 4.403 8.199) 12.827 5.500 ( -9.140 18.296 1.165) 20.485 5.989 ( 8.191 -19.936 2.812) 21.735 6.619 ( 3.156 -10.769 -15.133) 18.840 6.866 ( -8.247 -12.043 2.049) 14.739 7.080 ( -7.802 -3.106 -13.148) 15.601 7.360 ( 2.221 3.386 -13.236) 13.842 7.662 ( 1.689 -16.612 9.375) 19.150 7.878 ( -3.011 3.754 -8.775) 10.008 8.225 ( -4.901 -3.578 8.153) 10.163 8.427 ( 8.282 19.224 5.909) 21.750 8.856 ( -7.905 6.823 -2.238) 10.680 9.137 ( 0.848 2.295 0.449) 2.488 9.612 ( -1.184 0.273 9.697) 9.772 10.225 ( 7.564 13.930 7.374) 17.483 10.435 ( -3.513 14.242 11.460) 18.615 10.528 ( 4.242 8.882 5.552) 11.301 10.799 ( 2.750 16.153 7.074) 17.847 11.375 ( -0.386 7.574 5.296) 9.250 11.897 ( -5.422 -15.964 -4.924) 17.564 12.053 ( 3.153 -19.672 -8.674) 21.730 12.394 ( -2.162 4.377 0.997) 4.982 12.778 ( -0.700 -7.513 -2.559) 7.968 12.930 ( -2.977 -2.840 8.888) 9.794 13.456 ( -5.141 10.971 0.432) 12.124 13.626 ( -5.565 0.554 -1.763) 5.863 15.924 ( 8.685 -15.432 -9.271) 19.988 16.807 ( 1.895 -14.504 -3.494) 15.038 17.173 ( -1.559 9.008 3.160) 9.672 18.808 ( -8.708 -12.694 6.038) 16.535 20.050 ( 0.306 7.069 -6.031) 9.298 20.822 ( -20.629 6.913 -17.858) 28.148 ======================= Grid point 143 (59/312) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 10.735 25.014 32.036) 42.039 2.654 ( 17.558 22.535 14.040) 31.832 3.209 ( 9.020 23.054 8.524) 26.182 4.521 ( 36.461 37.233 23.554) 57.188 4.619 ( -10.203 7.887 9.447) 15.986 5.294 ( -10.046 25.291 -2.981) 27.375 6.208 ( 11.686 -19.680 3.196) 23.110 6.591 ( -0.569 -10.158 -21.705) 23.971 6.675 ( -12.025 -10.678 6.208) 17.239 6.911 ( -3.461 -8.968 -9.261) 13.348 7.370 ( 2.977 0.529 -10.882) 11.294 7.685 ( -3.920 -8.727 0.789) 9.599 7.802 ( -0.820 -2.128 1.597) 2.784 8.162 ( -2.670 -8.994 6.077) 11.178 8.640 ( 10.250 18.599 1.341) 21.279 8.701 ( -6.169 3.845 -2.946) 7.844 9.166 ( 1.646 3.254 0.537) 3.686 9.614 ( -2.293 -0.182 7.365) 7.716 10.267 ( -10.095 13.796 0.449) 17.101 10.450 ( 3.802 13.648 16.691) 21.893 10.655 ( 5.965 13.398 5.782) 15.764 10.848 ( 1.438 8.930 2.849) 9.483 11.382 ( 0.577 8.296 7.231) 11.020 11.841 ( 0.521 -10.638 -0.005) 10.651 12.106 ( 4.888 -15.581 -6.381) 17.532 12.313 ( -6.247 3.814 -1.533) 7.478 12.752 ( -0.940 -3.515 -2.686) 4.523 12.902 ( -3.262 -0.331 9.334) 9.893 13.325 ( -8.737 12.065 0.952) 14.927 13.464 ( -9.705 0.968 -1.005) 9.805 16.097 ( 11.721 -12.631 -7.858) 18.938 16.822 ( 0.478 -17.988 -1.300) 18.041 17.172 ( 0.824 14.933 0.159) 14.956 18.625 ( -11.145 -13.797 3.910) 18.162 20.019 ( -1.395 4.750 -5.660) 7.520 20.390 ( -17.036 9.667 -10.511) 22.230 ======================= Grid point 144 (60/312) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 13.580 20.742 31.857) 40.367 2.920 ( 5.643 14.840 10.900) 19.259 3.506 ( 19.100 29.417 8.062) 35.989 4.352 ( -16.106 6.685 11.091) 20.666 4.933 ( -10.877 18.413 -2.893) 21.580 5.548 ( 37.348 22.026 18.512) 47.146 6.325 ( -5.249 -22.340 3.962) 23.288 6.471 ( -1.039 -3.726 -31.707) 31.942 6.566 ( 4.484 -8.559 3.303) 10.211 6.925 ( 6.668 -7.422 1.922) 10.160 7.400 ( 3.547 -1.398 -8.450) 9.270 7.566 ( -5.623 0.081 -7.365) 9.266 7.798 ( -2.158 -11.018 5.776) 12.626 8.170 ( -0.591 -8.935 12.071) 15.030 8.564 ( -4.849 3.952 -4.233) 7.553 8.847 ( 8.867 8.354 -3.045) 12.557 9.198 ( 1.735 3.638 -0.251) 4.039 9.569 ( -3.638 -2.238 2.147) 4.780 9.955 ( -20.233 11.198 -1.333) 23.163 10.529 ( -1.660 11.739 18.579) 22.040 10.685 ( -5.114 26.418 11.513) 29.268 11.045 ( 17.997 1.088 -2.325) 18.179 11.472 ( 6.202 3.878 2.900) 7.868 11.861 ( -1.590 -1.219 7.115) 7.392 12.141 ( -4.470 1.130 -3.326) 5.685 12.223 ( 3.927 -7.171 -2.226) 8.473 12.720 ( -2.591 3.929 -0.367) 4.721 12.847 ( -5.306 3.037 4.118) 7.371 13.112 ( -12.653 10.786 2.132) 16.762 13.306 ( -5.885 2.145 2.353) 6.691 16.304 ( 11.731 -10.126 -7.712) 17.310 16.817 ( -0.722 -19.623 0.082) 19.637 17.200 ( 2.017 17.267 -0.788) 17.402 18.432 ( -9.070 -17.748 0.992) 19.956 19.962 ( -2.463 2.278 -5.286) 6.261 20.106 ( -9.497 6.619 -6.764) 13.407 ======================= Grid point 145 (61/312) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -2.219 15.159 9.658) 18.111 3.100 ( 12.185 17.704 28.326) 35.557 3.968 ( 23.899 26.864 11.145) 37.643 4.091 ( -13.694 7.400 12.552) 19.996 4.626 ( -17.999 19.849 -1.209) 26.822 5.999 ( -0.031 -18.220 3.242) 18.506 6.286 ( 1.098 -9.401 -3.804) 10.201 6.406 ( 6.801 -4.575 -19.800) 21.429 6.700 ( 5.462 -13.712 -2.647) 14.995 7.238 ( 21.469 7.183 7.407) 23.820 7.423 ( -5.519 2.264 -13.780) 15.016 7.459 ( 5.254 -4.313 -2.800) 7.352 7.777 ( 0.067 -11.292 5.721) 12.659 8.204 ( 0.874 -3.400 13.913) 14.349 8.490 ( -1.761 3.453 -2.625) 4.681 8.928 ( 0.283 -6.280 -2.311) 6.698 9.188 ( -8.045 16.156 5.568) 18.887 9.505 ( -0.661 -4.603 -8.506) 9.694 9.602 ( -10.842 9.200 2.331) 14.409 10.530 ( -4.589 12.884 17.971) 22.583 10.633 ( -3.916 28.779 13.300) 31.945 11.383 ( 13.961 -7.880 -2.552) 16.233 11.613 ( 7.716 2.424 -0.888) 8.136 11.793 ( -4.769 4.195 3.782) 7.392 12.080 ( -0.661 7.207 -1.663) 7.426 12.314 ( 2.385 -8.718 4.780) 10.224 12.585 ( -10.803 19.615 -4.610) 22.863 12.738 ( -4.937 5.239 3.156) 7.860 12.958 ( -3.224 6.867 4.806) 8.981 13.242 ( -2.864 1.341 6.477) 7.208 16.473 ( 7.880 -7.114 -9.159) 14.021 16.795 ( -1.600 -18.929 0.000) 18.997 17.248 ( 2.963 14.344 2.467) 14.853 18.294 ( -4.816 -21.019 -2.199) 21.676 19.888 ( -3.319 0.286 -3.723) 4.996 19.969 ( -2.576 4.109 -7.057) 8.562 ======================= Grid point 146 (62/312) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( -8.384 15.500 6.853) 18.908 3.326 ( -1.200 16.771 28.094) 32.741 3.964 ( -2.332 9.689 11.376) 15.124 4.230 ( -16.672 23.393 4.400) 29.061 4.517 ( 22.298 19.840 14.692) 33.267 5.939 ( -2.314 -22.437 -1.124) 22.584 6.223 ( -7.159 -10.802 -8.511) 15.504 6.384 ( -2.741 -6.708 -24.036) 25.104 6.743 ( 0.288 -14.912 -4.074) 15.461 7.287 ( -2.132 4.082 -14.146) 14.877 7.425 ( 0.361 -6.417 -6.259) 8.971 7.551 ( 0.991 -8.144 1.181) 8.288 7.955 ( 7.027 -10.788 19.850) 23.659 8.386 ( 8.932 14.052 5.057) 17.401 8.445 ( -2.493 6.995 5.479) 9.228 8.884 ( -0.479 -6.672 1.767) 6.918 9.044 ( 0.532 15.451 15.385) 21.811 9.488 ( 0.180 1.379 -7.897) 8.019 9.561 ( 2.669 4.061 -5.122) 7.061 10.490 ( -4.904 15.768 15.738) 22.811 10.608 ( -3.966 25.888 13.194) 29.326 11.466 ( -0.996 -5.888 -0.957) 6.048 11.688 ( -3.255 -4.012 -2.788) 5.871 11.828 ( 3.074 5.339 -0.456) 6.177 12.042 ( -1.938 3.112 -1.173) 3.849 12.226 ( -8.544 -6.928 -0.521) 11.012 12.521 ( 7.220 29.891 1.322) 30.779 12.724 ( 1.824 2.987 4.682) 5.845 12.969 ( 1.015 8.065 6.861) 10.638 13.225 ( -1.503 0.210 7.524) 7.676 16.522 ( 0.348 -6.158 -10.693) 12.344 16.758 ( -1.621 -16.041 -1.970) 16.242 17.339 ( 4.185 9.830 8.403) 13.592 18.234 ( -0.104 -21.611 -4.253) 22.026 19.839 ( 0.107 0.115 -3.504) 3.508 19.932 ( 0.906 2.765 -7.708) 8.239 ======================= Grid point 147 (63/312) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -14.304 16.390 8.912) 23.508 3.250 ( -13.831 16.258 24.214) 32.279 3.771 ( -18.560 25.331 1.604) 31.444 4.222 ( 9.724 7.435 18.882) 22.503 4.989 ( 17.551 20.102 15.199) 30.710 5.766 ( -30.698 1.231 -10.000) 32.309 5.951 ( 3.291 -21.266 -6.380) 22.445 6.305 ( 0.631 -9.789 -21.240) 23.396 6.701 ( -2.143 -12.475 -4.375) 13.393 7.266 ( 2.647 1.503 -5.701) 6.463 7.355 ( -2.596 -13.187 -8.588) 15.949 7.573 ( 1.608 -2.122 -4.276) 5.037 8.036 ( -4.647 -13.541 20.236) 24.788 8.265 ( -10.142 18.243 13.349) 24.776 8.584 ( 8.127 4.251 1.747) 9.336 8.873 ( -1.109 -5.530 -1.155) 5.757 9.363 ( 4.352 5.013 5.113) 8.379 9.553 ( -0.753 8.038 -3.184) 8.679 9.606 ( 24.529 12.455 5.445) 28.044 10.455 ( -4.076 16.188 14.703) 22.245 10.562 ( -4.443 23.941 9.589) 26.170 11.402 ( -11.546 0.434 -4.125) 12.269 11.536 ( -0.821 -0.025 -5.078) 5.144 11.674 ( -15.520 -6.092 3.905) 17.124 12.098 ( 5.362 3.295 -0.108) 6.295 12.165 ( 1.350 -5.959 -2.660) 6.664 12.745 ( 10.633 13.167 1.460) 16.987 12.815 ( 7.396 10.356 5.674) 13.933 13.016 ( 0.555 7.368 9.426) 11.977 13.241 ( 1.342 1.001 5.080) 5.348 16.423 ( -6.217 -9.237 -10.412) 15.244 16.727 ( -0.319 -12.869 -5.065) 13.834 17.431 ( 0.749 7.733 11.403) 13.798 18.278 ( 6.256 -19.326 -2.230) 20.435 19.872 ( 4.198 1.045 -4.579) 6.299 19.955 ( 4.921 3.864 -7.840) 10.030 ======================= Grid point 148 (64/312) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -16.617 20.241 13.629) 29.522 2.972 ( -22.398 17.157 17.942) 33.435 3.461 ( -14.008 25.085 6.769) 29.518 4.497 ( 10.551 5.646 17.838) 21.480 4.818 ( -37.905 17.229 -9.425) 42.690 5.518 ( 8.673 25.153 17.261) 31.715 6.035 ( 4.662 -23.091 -10.091) 25.627 6.214 ( -1.647 -12.821 -10.329) 16.546 6.676 ( 1.841 -9.482 -4.911) 10.835 7.276 ( -0.276 -11.874 -6.179) 13.389 7.354 ( 5.931 1.209 -9.614) 11.361 7.571 ( -0.467 0.098 -2.305) 2.354 7.977 ( -5.882 -10.531 11.331) 16.550 8.152 ( -6.172 10.660 10.542) 16.213 8.740 ( 4.688 4.387 2.393) 6.852 8.895 ( 4.651 0.863 3.389) 5.819 9.284 ( -8.223 5.643 -0.260) 9.977 9.524 ( -0.794 8.972 3.747) 9.755 10.166 ( 22.066 13.199 7.242) 26.712 10.421 ( -4.649 18.445 12.390) 22.701 10.504 ( -4.554 19.593 5.727) 20.915 11.128 ( -10.222 3.589 0.076) 10.834 11.344 ( -17.648 -3.560 -0.324) 18.007 11.608 ( 6.384 -9.848 -4.754) 12.663 12.181 ( 1.448 -10.022 -2.147) 10.351 12.227 ( 6.715 1.571 1.314) 7.020 12.840 ( 0.795 3.433 8.507) 9.208 12.985 ( 0.745 3.923 2.486) 4.704 13.126 ( 11.450 12.434 7.078) 18.325 13.320 ( 5.714 4.118 0.767) 7.085 16.235 ( -8.907 -12.894 -10.897) 19.088 16.712 ( 0.888 -11.156 -6.604) 12.995 17.430 ( -4.257 5.202 10.306) 12.305 18.456 ( 11.060 -14.772 3.732) 18.827 19.932 ( 3.828 2.756 -7.036) 8.471 20.117 ( 14.790 7.514 -6.380) 17.774 ======================= Grid point 149 (65/312) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -14.722 26.300 18.851) 35.549 2.514 ( -29.584 20.699 11.048) 37.759 3.245 ( -12.780 17.314 12.093) 24.685 4.057 ( -32.905 44.497 0.395) 55.343 4.734 ( 7.232 3.338 14.773) 16.783 5.701 ( 1.031 17.662 14.442) 22.838 5.948 ( -4.393 -24.621 -6.250) 25.779 6.326 ( 12.079 -7.128 -9.519) 16.950 6.745 ( 6.695 -6.683 -2.428) 9.767 7.271 ( 2.685 -11.266 -7.776) 13.950 7.419 ( 3.232 7.305 -13.509) 15.694 7.554 ( -1.786 -4.167 0.993) 4.641 7.894 ( -4.290 -5.722 6.756) 9.838 8.108 ( -1.723 6.897 8.615) 11.169 8.757 ( -3.045 14.076 -0.973) 14.434 9.034 ( 6.060 1.166 1.235) 6.293 9.124 ( -7.290 2.122 6.499) 9.994 9.547 ( 0.400 6.305 10.561) 12.306 10.342 ( -7.255 16.837 9.014) 20.430 10.392 ( -2.751 18.563 -5.540) 19.566 10.451 ( 1.512 15.587 14.583) 21.399 10.943 ( -14.990 -3.048 3.961) 15.801 11.170 ( 4.673 3.218 -3.034) 6.434 11.731 ( 7.919 -12.913 -3.973) 15.660 12.173 ( -1.262 -11.752 -1.925) 11.975 12.373 ( 6.519 -5.542 1.891) 8.763 12.860 ( -1.561 3.402 7.425) 8.315 12.967 ( -2.434 -2.309 5.497) 6.440 13.358 ( 8.929 11.838 3.248) 15.179 13.458 ( 8.565 4.851 -2.273) 10.102 16.027 ( -7.879 -15.900 -11.943) 21.390 16.718 ( 1.988 -10.337 -6.735) 12.497 17.359 ( -5.901 3.070 8.795) 11.027 18.689 ( 9.824 -12.840 7.845) 17.970 19.980 ( 3.721 5.520 -7.867) 10.306 20.484 ( 25.015 9.642 -6.919) 27.687 ======================= Grid point 150 (66/312) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -25.819 29.661 7.497) 40.032 2.020 ( -10.623 30.351 27.276) 42.167 3.047 ( -11.574 15.990 17.955) 26.684 3.636 ( -12.819 61.074 9.010) 63.052 4.870 ( 2.134 2.422 11.155) 11.613 5.658 ( -5.384 -1.996 7.470) 9.422 5.924 ( -0.112 -9.059 1.618) 9.203 6.500 ( 8.934 -9.099 -13.067) 18.258 6.900 ( 8.190 -2.639 -2.850) 9.064 7.351 ( 6.937 -2.313 -4.287) 8.476 7.387 ( -2.660 -1.777 -7.867) 8.492 7.466 ( -2.585 -2.260 -8.263) 8.948 7.892 ( 0.360 -2.482 2.549) 3.576 8.141 ( 1.470 7.899 13.507) 15.716 8.601 ( -10.995 17.284 -3.237) 20.739 9.054 ( -1.470 -0.489 3.786) 4.090 9.126 ( 1.301 1.931 1.993) 3.065 9.599 ( -0.266 3.379 16.256) 16.606 10.194 ( -9.288 5.634 2.398) 11.124 10.320 ( -1.171 18.207 0.815) 18.263 10.505 ( -1.125 15.217 12.764) 19.893 10.736 ( -5.933 12.411 4.332) 14.422 11.279 ( 4.906 2.897 -0.772) 5.749 11.874 ( 7.505 -17.412 -4.958) 19.598 12.135 ( -1.599 -12.184 -1.768) 12.415 12.450 ( 0.241 -6.923 2.152) 7.254 12.833 ( -2.715 1.395 3.554) 4.685 12.952 ( -1.028 -5.967 5.592) 8.242 13.486 ( 3.615 11.501 2.224) 12.259 13.607 ( 6.777 3.181 -3.141) 8.119 15.875 ( -3.013 -17.970 -12.320) 21.995 16.742 ( 2.681 -10.331 -6.177) 12.332 17.276 ( -5.282 2.323 7.517) 9.476 18.857 ( 4.210 -13.535 8.404) 16.479 20.021 ( 3.201 7.866 -7.671) 11.444 20.966 ( 24.315 2.991 -13.438) 27.942 ======================= Grid point 151 (67/312) ======================= q-point: ( 0.00 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 5.432 36.968 14.600) 40.116 2.632 ( -1.646 32.443 18.899) 37.583 3.296 ( -2.229 16.018 14.294) 21.584 4.684 ( 3.477 45.808 4.556) 46.165 4.959 ( -1.366 2.606 5.374) 6.126 5.296 ( 4.609 -24.620 10.036) 26.984 5.918 ( -1.996 -2.142 1.929) 3.506 6.406 ( 1.734 -5.236 -9.433) 10.927 6.803 ( -6.591 -4.604 0.632) 8.064 7.236 ( -0.037 -2.293 -6.742) 7.121 7.331 ( -3.221 -6.940 3.853) 8.566 7.487 ( -1.516 4.067 -15.612) 16.204 7.976 ( 3.211 6.413 -0.431) 7.185 8.402 ( -1.542 13.795 -0.882) 13.909 8.796 ( -5.810 22.560 0.990) 23.317 9.106 ( 2.797 -0.436 0.195) 2.837 9.226 ( -4.533 15.274 1.852) 16.040 9.666 ( -5.880 1.608 8.036) 10.087 10.002 ( 8.005 -9.580 8.735) 15.236 10.618 ( -1.872 9.514 -0.212) 9.699 10.790 ( -0.529 11.039 2.598) 11.353 11.083 ( 6.040 10.317 12.214) 17.091 11.393 ( -2.172 -6.311 0.330) 6.683 11.512 ( 6.200 -19.648 -3.944) 20.977 11.803 ( -8.182 -9.906 11.239) 17.070 12.285 ( -0.277 -13.795 0.469) 13.805 12.841 ( -3.728 13.470 6.186) 15.284 12.957 ( -1.347 4.217 7.923) 9.076 13.634 ( -0.435 -1.356 -0.559) 1.530 13.799 ( -0.787 14.837 2.108) 15.006 15.470 ( 3.763 -19.308 -9.547) 21.865 16.334 ( -0.926 -30.043 5.586) 30.572 17.427 ( 0.313 14.913 -4.341) 15.535 18.646 ( -0.769 -13.215 0.827) 13.264 20.236 ( 2.280 10.596 -9.976) 14.731 21.053 ( 0.740 -7.439 -18.574) 20.022 ======================= Grid point 152 (68/312) ======================= q-point: ( 0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 3.302 30.202 22.084) 37.560 2.794 ( 16.698 31.832 13.357) 38.348 3.383 ( 7.187 18.091 14.450) 24.243 4.852 ( 8.772 36.732 9.493) 38.940 4.910 ( -3.526 10.145 6.608) 12.610 5.499 ( 11.933 -24.918 12.515) 30.330 5.847 ( -5.258 5.295 0.189) 7.464 6.406 ( 1.500 -6.895 -10.676) 12.798 6.646 ( -9.451 -5.975 2.458) 11.448 7.065 ( -11.639 0.716 -14.786) 18.831 7.317 ( 0.592 -7.882 -3.802) 8.771 7.429 ( -0.189 -4.586 -2.028) 5.018 7.942 ( -4.829 2.223 -4.221) 6.788 8.306 ( -5.942 11.957 -8.767) 15.973 8.797 ( 2.670 13.204 -3.222) 13.851 9.041 ( -6.307 16.311 8.359) 19.383 9.237 ( 3.406 7.786 -0.898) 8.546 9.635 ( 0.022 1.454 5.405) 5.598 10.232 ( 7.873 -9.517 8.574) 15.035 10.602 ( 0.778 6.903 4.180) 8.107 10.761 ( -2.674 9.801 0.888) 10.198 11.213 ( 1.578 14.751 11.583) 18.821 11.401 ( 3.684 -9.817 2.769) 10.845 11.601 ( 2.786 -13.591 -4.685) 14.643 11.711 ( -2.049 -6.326 13.221) 14.799 12.265 ( -1.786 -14.480 -0.499) 14.598 12.817 ( -0.784 12.933 5.550) 14.095 12.956 ( -1.750 4.902 7.736) 9.324 13.583 ( -4.489 -0.343 -0.347) 4.516 13.756 ( -4.172 16.038 1.163) 16.612 15.574 ( 9.747 -19.716 -8.631) 23.626 16.334 ( -1.077 -30.793 6.019) 31.395 17.433 ( 1.813 15.226 -5.115) 16.165 18.580 ( -6.203 -11.727 0.046) 13.267 20.214 ( -1.190 9.456 -9.268) 13.294 20.854 ( -13.187 -2.384 -17.682) 22.186 ======================= Grid point 153 (69/312) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 8.212 27.084 22.944) 36.434 3.086 ( 8.892 21.690 9.895) 25.445 3.679 ( 16.956 24.959 11.465) 32.278 4.735 ( -12.200 6.654 8.315) 16.194 5.186 ( 14.391 25.480 9.218) 30.681 5.722 ( -1.166 0.233 3.439) 3.639 5.807 ( 7.916 -15.143 7.428) 18.631 6.383 ( -1.290 1.517 0.192) 2.001 6.510 ( -2.878 -9.429 -0.463) 9.869 6.790 ( -8.787 -2.638 -17.625) 19.870 7.290 ( -0.709 -6.304 -8.284) 10.434 7.469 ( 2.254 -9.298 5.391) 10.981 7.821 ( -4.591 -0.263 -7.046) 8.414 8.171 ( -2.966 9.935 -10.689) 14.891 8.746 ( -5.683 1.680 -3.903) 7.096 9.024 ( 0.213 19.521 3.052) 19.759 9.303 ( 3.404 10.231 -0.252) 10.785 9.626 ( -3.702 1.578 2.818) 4.913 10.281 ( -3.021 -12.233 -3.098) 12.976 10.650 ( -1.619 8.532 14.648) 17.029 10.758 ( 4.250 2.844 -2.478) 5.682 11.255 ( 0.325 17.242 12.508) 21.303 11.480 ( 0.992 -3.269 5.303) 6.308 11.659 ( 4.933 -3.143 13.239) 14.474 11.825 ( 7.942 -9.659 2.993) 12.858 12.217 ( -2.382 -10.409 -2.559) 10.980 12.841 ( 1.137 11.407 4.992) 12.504 12.935 ( -3.156 5.043 6.836) 9.062 13.469 ( -7.151 1.805 1.764) 7.583 13.654 ( -6.085 20.492 -0.425) 21.380 15.774 ( 13.460 -20.069 -8.724) 25.691 16.334 ( -1.029 -30.753 6.015) 31.352 17.459 ( 2.620 14.067 -5.842) 15.456 18.410 ( -10.775 -9.530 -1.086) 14.425 20.134 ( -3.646 6.940 -8.560) 11.607 20.503 ( -15.735 2.382 -13.571) 20.915 ======================= Grid point 154 (70/312) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 11.360 23.602 24.561) 35.907 3.241 ( 4.687 17.447 6.742) 19.283 4.053 ( 17.958 26.859 7.985) 33.282 4.496 ( -14.972 7.678 9.608) 19.377 5.262 ( -7.759 13.880 -4.980) 16.663 5.719 ( -5.054 -13.795 4.346) 15.321 5.960 ( 8.692 -9.566 12.544) 18.011 6.377 ( -2.751 -2.611 -6.206) 7.274 6.479 ( 0.243 -4.393 -11.832) 12.624 6.807 ( 15.900 -4.327 8.274) 18.439 7.245 ( -1.546 -8.500 -5.194) 10.081 7.509 ( -0.589 -9.595 5.555) 11.103 7.756 ( 3.310 7.977 -15.781) 17.990 8.149 ( 3.168 7.305 -4.676) 9.234 8.617 ( -5.837 1.238 -0.933) 6.040 8.985 ( -4.460 9.811 -3.443) 11.314 9.359 ( 3.239 5.770 -6.148) 9.033 9.539 ( -4.063 2.969 1.480) 5.245 10.106 ( -13.616 1.968 -0.682) 13.774 10.705 ( 1.130 6.709 16.701) 18.034 10.840 ( 5.085 -6.581 -0.951) 8.370 11.312 ( 0.004 20.289 14.239) 24.787 11.509 ( 0.805 -3.088 4.608) 5.605 11.822 ( 4.801 -4.393 15.858) 17.141 11.986 ( 6.665 -4.629 3.983) 9.039 12.173 ( -0.428 -4.224 -4.653) 6.299 12.872 ( -3.230 10.971 4.775) 12.394 12.890 ( 0.247 3.212 3.215) 4.552 13.336 ( -7.344 7.514 5.921) 12.060 13.538 ( -5.058 26.463 -1.103) 26.965 16.012 ( 13.505 -20.173 -9.421) 26.040 16.338 ( -0.460 -29.374 5.638) 29.914 17.489 ( 2.512 12.329 -5.855) 13.877 18.178 ( -11.853 -8.819 -2.217) 14.939 20.025 ( -4.578 4.171 -7.884) 10.026 20.199 ( -10.861 2.988 -10.130) 15.150 ======================= Grid point 155 (71/312) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( -0.769 17.456 6.591) 18.675 3.494 ( 12.007 21.625 22.281) 33.291 4.244 ( -13.387 7.689 11.389) 19.184 4.448 ( 19.915 22.356 8.713) 31.182 4.987 ( -16.489 15.392 -6.318) 23.425 5.580 ( -7.742 -22.526 3.683) 24.102 6.139 ( 1.654 -5.519 5.512) 7.974 6.272 ( 0.129 -9.856 -17.362) 19.965 6.470 ( 1.094 -9.009 -8.359) 12.338 7.141 ( 7.135 -17.955 12.671) 23.105 7.202 ( -0.744 -8.434 -3.747) 9.259 7.503 ( -0.444 -10.323 6.745) 12.339 7.862 ( 10.948 22.981 -24.642) 35.429 8.265 ( 10.369 7.810 5.946) 14.278 8.560 ( 2.347 2.658 -0.366) 3.565 8.870 ( -5.351 4.870 0.755) 7.275 9.374 ( 1.882 -8.727 -18.666) 20.691 9.512 ( -1.258 15.899 9.612) 18.621 9.812 ( -15.029 10.733 5.884) 19.383 10.742 ( -2.924 8.395 15.721) 18.060 10.963 ( 5.333 -3.284 5.935) 8.628 11.330 ( -3.019 5.469 11.839) 13.386 11.543 ( 1.107 -4.675 2.860) 5.591 11.913 ( 1.640 4.312 4.997) 6.801 12.098 ( 2.261 -7.185 6.550) 9.982 12.149 ( -2.183 -1.363 -2.204) 3.388 12.811 ( -2.665 6.358 3.425) 7.698 12.921 ( 1.577 7.724 1.058) 7.954 13.248 ( -4.278 14.955 10.346) 18.681 13.464 ( -2.318 31.154 0.573) 31.246 16.188 ( 6.536 -23.987 -8.730) 26.350 16.367 ( 2.245 -23.589 2.898) 23.872 17.517 ( 2.272 11.570 -3.449) 12.285 17.971 ( -7.594 -10.906 -3.765) 13.813 19.913 ( -3.850 2.309 -6.896) 8.229 20.025 ( -3.912 1.785 -9.364) 10.304 ======================= Grid point 156 (72/312) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( -6.986 18.840 4.376) 20.565 3.718 ( -0.386 22.873 21.726) 31.549 4.124 ( 0.092 5.772 13.449) 14.635 4.606 ( -17.951 15.188 -1.944) 23.594 4.909 ( 21.292 18.137 9.012) 29.386 5.485 ( -2.715 -22.500 1.808) 22.735 6.047 ( -8.447 -6.790 -7.064) 12.937 6.236 ( -1.224 -8.455 -16.391) 18.484 6.460 ( 0.925 -13.123 -6.504) 14.675 7.168 ( -2.069 -11.824 -5.267) 13.108 7.192 ( -0.056 -15.402 3.727) 15.847 7.549 ( 2.054 -7.022 2.086) 7.607 7.877 ( -0.941 12.692 -10.371) 16.417 8.493 ( 8.042 3.486 2.964) 9.252 8.729 ( 4.774 -5.259 -0.964) 7.168 8.869 ( 6.330 25.700 6.451) 27.242 9.290 ( -2.138 2.132 3.807) 4.859 9.545 ( 4.476 10.996 2.249) 12.083 9.684 ( -0.195 7.760 2.362) 8.114 10.717 ( -4.756 8.308 14.672) 17.518 11.043 ( -0.286 10.064 10.274) 14.384 11.281 ( -4.883 -10.003 9.257) 14.477 11.545 ( -2.184 -7.051 -1.150) 7.471 11.896 ( -10.781 -4.948 1.278) 11.931 12.033 ( 0.360 0.894 -2.133) 2.340 12.175 ( 1.905 3.736 2.729) 5.004 12.806 ( 0.745 4.932 3.701) 6.211 12.987 ( 4.865 9.085 3.040) 10.745 13.220 ( -3.487 15.406 12.345) 20.048 13.453 ( 0.689 33.674 2.275) 33.758 16.206 ( -1.128 -26.990 -7.012) 27.908 16.407 ( 0.356 -19.172 -1.487) 19.233 17.567 ( 3.003 11.026 1.186) 11.489 17.882 ( 0.657 -12.878 -5.662) 14.083 19.857 ( 1.021 1.875 -6.584) 6.922 19.967 ( 1.029 0.965 -9.892) 9.993 ======================= Grid point 157 (73/312) ======================= q-point: (-0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( -10.696 21.338 5.088) 24.405 3.615 ( -14.193 20.057 18.573) 30.801 4.210 ( -12.341 19.559 -0.257) 23.128 4.365 ( 6.292 6.852 14.563) 17.280 5.301 ( 10.757 9.754 6.775) 16.023 5.499 ( 4.592 -22.507 -1.578) 23.025 5.776 ( -14.292 -2.071 -7.985) 16.501 6.156 ( 0.810 -3.491 -14.107) 14.555 6.462 ( 1.141 -12.698 -4.522) 13.527 7.088 ( -2.997 -15.109 -6.080) 16.560 7.242 ( 3.946 -5.351 0.444) 6.663 7.560 ( 0.208 -1.595 -7.733) 7.898 7.834 ( -2.402 0.399 5.606) 6.112 8.641 ( 5.573 0.907 3.639) 6.718 8.764 ( -3.891 12.557 1.858) 13.277 8.789 ( -4.960 16.517 11.045) 20.479 9.416 ( 5.952 -0.623 -9.645) 11.351 9.704 ( 1.105 7.739 4.931) 9.242 9.866 ( 23.872 13.234 13.556) 30.476 10.665 ( -5.331 7.321 13.807) 16.512 11.019 ( -5.160 16.164 7.757) 18.657 11.231 ( -3.529 -14.181 6.781) 16.111 11.434 ( -7.684 -8.826 -4.247) 12.449 11.585 ( -16.669 -6.397 -2.455) 18.022 12.073 ( 0.863 1.348 2.086) 2.629 12.224 ( 2.378 5.452 0.993) 6.030 12.861 ( 3.079 5.121 5.335) 8.011 13.114 ( 5.242 2.007 6.372) 8.492 13.181 ( -3.602 17.443 9.946) 20.400 13.503 ( 3.349 30.486 2.840) 30.800 16.101 ( -6.728 -24.263 -10.543) 27.296 16.377 ( -2.242 -21.981 0.522) 22.101 17.598 ( -0.682 7.322 0.259) 7.359 17.985 ( 11.009 -9.692 -2.410) 14.864 19.907 ( 5.900 2.567 -7.505) 9.885 20.005 ( 7.310 1.503 -10.135) 12.587 ======================= Grid point 158 (74/312) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -10.670 25.344 8.136) 28.676 3.344 ( -19.166 20.520 13.454) 31.136 3.892 ( -17.617 19.373 1.691) 26.240 4.615 ( 10.130 6.088 14.250) 18.513 5.177 ( -16.805 17.350 -8.941) 25.756 5.550 ( -1.672 -24.623 -10.121) 26.675 5.656 ( 2.515 -11.957 1.761) 12.345 6.284 ( 13.169 16.460 7.361) 22.328 6.475 ( 1.892 -10.858 -3.548) 11.578 7.032 ( 0.010 -12.699 -7.390) 14.693 7.347 ( 6.864 -3.228 0.774) 7.625 7.518 ( -1.614 -2.380 -8.700) 9.163 7.811 ( -2.090 -2.265 6.039) 6.780 8.561 ( -10.944 25.730 10.955) 30.030 8.745 ( 3.929 -1.002 4.194) 5.834 8.942 ( 10.326 5.331 0.637) 11.638 9.424 ( -1.807 6.588 -5.962) 9.067 9.718 ( -1.221 9.896 5.834) 11.552 10.375 ( 20.738 7.594 11.497) 24.898 10.599 ( -6.921 3.707 13.286) 15.433 10.891 ( -9.973 10.543 1.431) 14.583 11.098 ( -11.640 -5.897 1.407) 13.124 11.276 ( -5.162 -3.963 -4.402) 7.857 11.395 ( -1.280 -10.256 1.636) 10.465 12.062 ( -3.013 -1.449 4.291) 5.440 12.257 ( 0.606 1.759 1.236) 2.234 12.937 ( 1.767 5.883 8.188) 10.236 13.086 ( -6.734 9.173 12.006) 16.542 13.295 ( 8.889 4.884 1.848) 10.309 13.593 ( 4.799 24.410 2.622) 25.016 15.891 ( -10.100 -22.301 -12.732) 27.594 16.346 ( -1.491 -25.208 2.574) 25.383 17.559 ( -2.505 7.359 -2.046) 8.038 18.231 ( 13.167 -8.987 0.815) 15.963 20.003 ( 6.803 4.326 -9.525) 12.479 20.211 ( 17.110 2.405 -9.518) 19.726 ======================= Grid point 159 (75/312) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -8.958 29.420 12.909) 33.353 2.966 ( -22.766 25.637 5.524) 34.729 3.569 ( -16.203 15.706 8.475) 24.104 4.817 ( 4.803 7.677 7.936) 12.040 4.858 ( -10.539 32.049 -1.236) 33.760 5.382 ( -8.600 -28.512 -7.390) 30.684 5.784 ( 7.391 -13.525 0.860) 15.437 6.437 ( -0.373 6.478 0.289) 6.496 6.651 ( 14.168 5.652 8.522) 17.473 7.051 ( 4.357 -10.286 -4.849) 12.178 7.426 ( -3.803 -5.377 -2.095) 6.911 7.515 ( 8.458 1.452 -8.723) 12.237 7.800 ( -0.298 -0.801 4.510) 4.591 8.426 ( -5.942 23.339 8.023) 25.385 8.855 ( 6.397 -2.557 0.840) 6.940 9.131 ( 7.881 8.150 0.667) 11.357 9.300 ( -9.513 14.048 -1.354) 17.020 9.700 ( -2.924 8.841 7.989) 12.270 10.408 ( -16.771 -7.265 8.114) 19.997 10.689 ( 7.497 9.424 4.614) 12.896 10.716 ( -5.538 11.074 -0.436) 12.390 10.938 ( -3.811 -2.136 2.232) 4.905 11.256 ( 3.938 -0.978 -0.118) 4.060 11.428 ( 1.754 -12.255 3.509) 12.867 11.995 ( -5.412 -5.892 6.110) 10.067 12.267 ( 0.268 -4.638 1.293) 4.823 12.970 ( -1.249 5.645 8.644) 10.399 12.994 ( -6.482 10.617 10.668) 16.388 13.472 ( 8.195 0.686 0.824) 8.265 13.695 ( 4.532 19.214 2.466) 19.895 15.659 ( -8.564 -21.330 -12.708) 26.264 16.334 ( -0.907 -27.125 3.712) 27.393 17.500 ( -2.432 10.288 -3.004) 10.990 18.462 ( 9.667 -11.193 1.460) 14.862 20.106 ( 7.069 7.208 -10.318) 14.436 20.571 ( 22.348 0.197 -11.012) 24.915 ======================= Grid point 160 (76/312) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -16.500 32.693 10.373) 38.061 2.649 ( -5.955 32.552 13.087) 35.586 3.359 ( -9.185 15.438 13.283) 22.341 4.687 ( -4.406 43.403 0.268) 43.627 4.934 ( 1.918 3.173 7.080) 7.992 5.254 ( -2.677 -26.996 2.366) 27.232 5.899 ( 3.484 -9.479 1.416) 10.197 6.414 ( -0.295 0.130 -4.670) 4.681 6.853 ( 2.759 0.941 1.872) 3.464 7.172 ( 6.360 -8.724 5.882) 12.294 7.352 ( -0.962 0.344 -5.180) 5.280 7.564 ( 0.724 4.700 -18.083) 18.698 7.869 ( 4.807 2.949 7.285) 9.213 8.393 ( -0.186 17.987 5.554) 18.826 8.977 ( 1.675 6.640 -0.683) 6.882 9.036 ( -8.433 13.144 -4.214) 16.175 9.267 ( 1.517 10.135 3.827) 10.939 9.686 ( -1.251 5.496 13.367) 14.507 10.077 ( -15.641 -11.983 0.717) 19.717 10.655 ( -1.735 13.447 -0.996) 13.595 10.768 ( 1.516 10.523 2.905) 11.021 10.954 ( 2.827 2.481 8.037) 8.873 11.375 ( 5.957 -0.582 2.172) 6.367 11.449 ( -0.295 -18.652 0.174) 18.656 11.906 ( -6.192 -10.092 8.791) 14.747 12.279 ( 0.458 -10.408 0.932) 10.460 12.910 ( -5.583 12.534 8.446) 16.113 12.962 ( -1.998 4.288 7.966) 9.265 13.598 ( 4.318 -1.161 0.075) 4.472 13.774 ( 2.440 16.066 2.417) 16.429 15.500 ( -3.134 -19.995 -11.305) 23.182 16.333 ( -0.786 -28.724 4.745) 29.124 17.451 ( -1.328 13.135 -3.660) 13.700 18.605 ( 4.560 -13.028 1.253) 13.860 20.195 ( 5.442 9.726 -10.400) 15.244 20.930 ( 16.952 -5.399 -14.993) 23.267 ======================= Grid point 161 (77/312) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 1.330 30.398 14.458) 33.688 3.227 ( 0.995 29.847 7.865) 30.882 3.561 ( 0.151 10.472 13.371) 16.984 4.614 ( 6.445 -32.074 8.315) 33.756 5.084 ( -1.001 5.998 6.636) 9.001 5.447 ( 2.652 26.866 0.819) 27.009 5.642 ( 1.182 -20.217 0.851) 20.270 6.232 ( -0.678 -14.485 -2.276) 14.679 6.881 ( -3.092 6.283 -1.368) 7.135 7.121 ( 0.339 -7.298 7.365) 10.374 7.365 ( -5.876 8.099 -11.317) 15.106 7.555 ( -4.169 1.492 -14.722) 15.374 8.234 ( -2.118 22.130 6.125) 23.059 8.723 ( -3.835 15.950 -12.332) 20.522 8.995 ( 0.380 -1.403 -4.490) 4.720 9.289 ( 3.030 18.287 -2.004) 18.645 9.567 ( -6.576 -12.339 0.875) 14.010 9.626 ( -4.950 23.418 5.412) 24.539 9.878 ( 10.101 -1.948 11.012) 15.070 10.604 ( -1.332 -12.691 -5.190) 13.776 10.808 ( -1.655 -10.032 0.437) 10.177 10.898 ( 2.033 -22.427 -3.381) 22.772 11.271 ( 6.063 7.164 16.519) 18.999 11.422 ( 0.706 1.426 7.609) 7.774 11.720 ( -6.020 -1.217 21.697) 22.550 12.007 ( -3.283 -13.195 4.296) 14.260 13.040 ( -2.922 5.965 5.400) 8.560 13.184 ( -2.570 8.652 5.069) 10.352 13.734 ( 0.874 18.822 1.177) 18.879 14.106 ( -0.383 14.671 1.527) 14.755 15.119 ( 2.864 -14.957 -7.111) 16.807 15.680 ( -2.150 -35.448 7.620) 36.321 17.740 ( 1.100 16.684 -5.425) 17.578 18.372 ( 0.387 -14.970 -2.507) 15.183 20.452 ( 2.614 11.391 -12.741) 17.289 20.881 ( 2.052 -9.959 -16.771) 19.612 ======================= Grid point 162 (78/312) ======================= q-point: ( 0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( 2.431 23.289 13.851) 27.206 3.355 ( 5.418 22.432 7.960) 24.411 3.754 ( 15.252 21.475 17.447) 31.594 4.863 ( 13.085 -25.732 11.310) 31.004 5.046 ( -4.405 2.785 9.279) 10.642 5.526 ( 4.682 22.417 3.911) 23.232 5.618 ( -4.047 -20.009 2.386) 20.553 6.224 ( 0.804 -13.778 -2.130) 13.965 6.796 ( -5.277 11.388 -2.320) 12.764 7.055 ( -11.041 -3.904 -7.283) 13.790 7.224 ( -0.880 2.289 -5.831) 6.326 7.403 ( -5.827 -1.008 -8.270) 10.166 8.106 ( -9.066 17.403 -2.389) 19.768 8.540 ( -8.476 7.463 -16.980) 20.393 8.944 ( -2.504 8.155 -8.755) 12.224 9.409 ( 3.404 8.806 -4.238) 10.348 9.470 ( -3.701 19.237 9.791) 21.900 9.628 ( 5.924 -3.309 0.213) 6.789 10.035 ( -1.297 -5.921 4.485) 7.541 10.643 ( 6.428 -1.863 5.355) 8.572 10.722 ( -4.957 -14.710 -2.206) 15.679 10.962 ( 6.041 -21.053 0.823) 21.918 11.458 ( 0.606 6.066 24.325) 25.078 11.523 ( 12.541 6.383 -0.183) 14.073 11.696 ( -5.165 -0.940 24.947) 25.493 11.986 ( 0.454 -12.765 1.112) 12.822 12.997 ( -3.033 5.599 4.310) 7.689 13.155 ( -2.363 5.308 3.305) 6.684 13.740 ( -0.781 22.970 2.888) 23.164 14.095 ( -0.968 16.886 0.850) 16.935 15.194 ( 7.292 -17.614 -7.070) 20.333 15.668 ( -1.712 -35.988 7.594) 36.821 17.740 ( 0.754 16.042 -5.670) 17.031 18.334 ( -3.466 -13.675 -2.916) 14.405 20.407 ( -2.738 10.154 -12.045) 15.990 20.759 ( -8.113 -6.890 -16.234) 19.413 ======================= Grid point 163 (79/312) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( 6.449 20.512 14.451) 25.907 3.464 ( 4.002 15.590 6.885) 17.506 4.179 ( 19.909 26.379 14.724) 36.180 4.867 ( -10.654 7.409 7.632) 15.055 5.230 ( 11.989 -23.689 10.713) 28.630 5.492 ( -9.164 -21.671 5.678) 24.205 5.671 ( 7.653 15.363 5.649) 18.070 6.253 ( 2.552 -13.490 -0.461) 13.737 6.650 ( -9.410 10.365 -2.144) 14.163 6.770 ( -10.350 -0.574 -14.731) 18.013 7.191 ( -2.008 -2.564 -5.508) 6.399 7.333 ( -1.242 -6.261 4.257) 7.673 7.970 ( -1.079 16.968 -7.902) 18.749 8.353 ( -2.986 4.729 -19.864) 20.637 8.828 ( -6.532 9.614 -7.037) 13.588 9.321 ( -3.624 7.542 -8.774) 12.124 9.490 ( -3.532 5.107 -5.263) 8.140 9.758 ( 2.410 14.406 10.442) 17.955 9.949 ( -0.776 -16.797 -5.855) 17.805 10.640 ( -2.477 -14.575 -0.429) 14.790 10.788 ( 2.901 5.283 12.433) 13.816 11.164 ( 11.466 -16.412 8.798) 21.869 11.513 ( -1.673 6.152 21.719) 22.635 11.678 ( -5.140 -1.439 23.947) 24.535 11.799 ( 13.203 5.473 3.931) 14.823 12.033 ( 3.805 -7.287 -0.933) 8.274 12.957 ( -2.447 3.923 3.882) 6.037 13.103 ( -3.945 1.953 1.507) 4.653 13.733 ( -1.172 29.021 5.633) 29.586 14.086 ( 0.246 21.951 -0.447) 21.957 15.350 ( 11.067 -21.974 -7.901) 25.841 15.668 ( -0.785 -35.871 7.716) 36.700 17.728 ( 0.058 13.655 -6.388) 15.075 18.217 ( -7.257 -10.767 -3.898) 13.557 20.278 ( -6.080 7.491 -11.114) 14.717 20.498 ( -12.370 -2.609 -13.981) 18.849 ======================= Grid point 164 (80/312) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.564 ( 3.584 14.824 8.248) 17.339 3.597 ( 10.085 16.840 13.151) 23.627 4.555 ( 12.559 23.742 8.198) 28.082 4.656 ( -11.610 10.453 10.226) 18.671 5.284 ( -10.680 -20.852 1.739) 23.493 5.377 ( -2.194 -9.845 3.951) 10.833 5.869 ( 9.594 2.842 7.961) 12.787 6.257 ( -4.473 -10.626 -5.202) 12.648 6.441 ( -5.867 1.549 -10.263) 11.923 6.671 ( 1.225 -9.523 2.560) 9.937 7.134 ( -2.316 -2.308 -2.171) 3.925 7.315 ( -2.880 -9.461 6.247) 11.698 8.058 ( 13.023 18.030 -9.374) 24.136 8.313 ( 5.756 5.811 -19.866) 21.484 8.665 ( -7.634 7.346 -4.469) 11.499 9.250 ( 0.419 -2.269 -18.468) 18.612 9.280 ( -11.588 8.673 -6.130) 15.719 9.786 ( -0.558 15.858 4.494) 16.492 9.996 ( 1.989 -10.121 2.178) 10.543 10.625 ( 0.287 -15.542 4.263) 16.119 10.859 ( 0.359 9.252 15.524) 18.076 11.326 ( -1.142 -11.864 15.650) 19.672 11.572 ( -0.189 5.377 17.266) 18.085 11.694 ( 0.961 -6.068 20.083) 21.002 12.016 ( 6.926 3.846 3.756) 8.767 12.104 ( 3.713 -1.902 -1.957) 4.608 12.924 ( -2.429 2.296 3.559) 4.882 13.023 ( -4.112 0.380 1.207) 4.303 13.737 ( -0.783 33.885 7.907) 34.804 14.112 ( 2.825 29.208 -1.325) 29.375 15.532 ( 8.668 -27.895 -7.766) 30.226 15.709 ( 3.694 -33.121 6.647) 33.983 17.701 ( -0.282 9.966 -7.119) 12.250 18.037 ( -9.287 -6.908 -4.931) 12.581 20.115 ( -6.539 4.752 -10.338) 13.123 20.226 ( -10.310 -0.149 -11.644) 15.553 ======================= Grid point 165 (81/312) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( 0.763 15.944 5.584) 16.911 3.863 ( 12.161 12.650 14.976) 23.069 4.394 ( -14.364 9.567 10.409) 20.154 4.849 ( 11.279 18.295 7.610) 22.800 5.062 ( -11.421 -14.096 -0.247) 18.144 5.287 ( -6.182 -1.433 0.133) 6.348 6.039 ( 4.348 -6.511 2.769) 8.304 6.084 ( -6.594 -5.522 -10.379) 13.479 6.362 ( -1.122 -2.047 -11.196) 11.437 6.736 ( 1.724 -20.924 7.109) 22.165 7.090 ( -1.459 -2.016 -1.023) 2.691 7.291 ( -1.202 -10.202 7.948) 12.988 8.307 ( 10.271 16.698 -16.156) 25.403 8.414 ( 10.013 9.904 -16.664) 21.818 8.546 ( -0.807 -1.619 2.792) 3.327 9.073 ( -2.311 -3.643 -13.353) 14.033 9.276 ( 6.361 14.055 -10.674) 18.760 9.785 ( -0.099 8.579 1.131) 8.654 9.974 ( -7.099 7.729 15.852) 19.011 10.669 ( 1.235 -18.129 8.466) 20.046 10.922 ( 0.666 7.099 16.121) 17.627 11.281 ( -7.279 -6.556 16.404) 19.106 11.571 ( -4.600 2.312 12.842) 13.836 11.794 ( -0.377 -11.588 12.208) 16.836 12.094 ( 1.598 4.154 0.251) 4.457 12.163 ( 2.955 0.950 0.784) 3.201 12.890 ( -1.987 2.627 3.579) 4.864 12.978 ( -1.010 -1.045 3.382) 3.682 13.752 ( -0.903 36.219 8.796) 37.282 14.173 ( 3.261 35.385 -1.312) 35.559 15.600 ( 1.242 -32.738 -2.093) 32.829 15.851 ( 7.451 -29.701 -0.258) 30.622 17.682 ( 1.213 6.041 -6.923) 9.268 17.851 ( -7.281 -3.333 -5.611) 9.778 19.971 ( -4.306 3.278 -9.759) 11.159 20.043 ( -4.532 0.059 -10.788) 11.701 ======================= Grid point 166 (82/312) ======================= q-point: (-0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.614 ( -4.618 18.342 3.929) 19.318 4.138 ( -0.705 -5.110 10.761) 11.934 4.185 ( 0.180 24.154 16.596) 29.307 4.846 ( -10.389 7.104 -3.528) 13.071 5.041 ( 3.368 -9.051 7.581) 12.277 5.226 ( 2.501 1.542 0.092) 2.940 5.923 ( -4.857 -4.759 -10.877) 12.827 6.112 ( 2.381 -5.097 -0.971) 5.709 6.276 ( -3.374 -3.354 -13.202) 14.033 6.761 ( -0.588 -22.155 1.884) 22.242 7.087 ( 1.857 -0.897 0.152) 2.068 7.327 ( 1.209 -11.541 10.278) 15.502 8.240 ( -4.192 18.183 -20.204) 27.502 8.559 ( 3.354 0.735 3.305) 4.765 8.646 ( 9.789 1.514 -9.131) 13.472 9.132 ( 12.332 -10.827 -21.903) 27.369 9.424 ( 7.241 24.118 3.368) 25.406 9.801 ( 0.930 5.461 4.097) 6.890 9.897 ( -3.958 18.860 24.348) 31.052 10.697 ( -2.299 -15.066 11.643) 19.179 10.987 ( -0.522 -0.582 18.038) 18.055 11.194 ( -5.948 -3.860 11.556) 13.558 11.478 ( -8.753 -0.863 6.845) 11.145 11.696 ( -11.432 -11.408 2.436) 16.334 12.122 ( 1.604 5.136 0.188) 5.384 12.232 ( 2.877 0.743 3.721) 4.762 12.889 ( 0.740 3.426 4.695) 5.859 13.004 ( 1.698 -2.548 6.575) 7.253 13.754 ( -2.118 36.699 8.585) 37.749 14.206 ( 0.223 37.001 -1.124) 37.019 15.595 ( -1.024 -32.477 -1.716) 32.538 15.929 ( 0.363 -29.674 -2.157) 29.755 17.716 ( 2.694 4.014 -4.164) 6.380 17.745 ( 0.777 -2.142 -7.287) 7.635 19.907 ( 1.515 2.855 -9.639) 10.166 19.974 ( 1.181 -0.247 -11.252) 11.316 ======================= Grid point 167 (83/312) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.505 ( -7.249 21.038 3.979) 22.605 3.936 ( -13.684 8.384 12.381) 20.269 4.463 ( 11.273 10.052 13.238) 20.084 4.601 ( -13.403 16.955 -4.059) 21.991 5.091 ( 2.926 -18.150 2.563) 18.562 5.279 ( -1.550 -13.014 -3.424) 13.546 5.793 ( -6.827 6.358 -5.682) 10.923 6.191 ( 5.045 3.728 -8.822) 10.825 6.211 ( 6.043 -9.929 -2.043) 11.802 6.750 ( 0.736 -18.739 -3.982) 19.171 7.160 ( 4.558 -1.309 2.805) 5.509 7.384 ( 0.774 -11.144 9.033) 14.366 8.105 ( -3.090 18.560 -14.627) 23.832 8.567 ( -0.365 -6.509 0.540) 6.542 8.862 ( 13.628 9.314 -7.629) 18.185 9.316 ( 11.952 -5.786 -13.019) 18.597 9.404 ( -9.472 26.811 6.587) 29.188 9.842 ( 0.693 5.199 8.277) 9.799 10.111 ( 14.673 12.249 21.396) 28.690 10.663 ( -5.207 -10.219 11.972) 16.580 10.999 ( -4.843 -6.000 18.084) 19.659 11.128 ( -6.454 -3.729 8.893) 11.603 11.294 ( -9.210 -3.258 -1.098) 9.830 11.436 ( -13.448 -7.212 -1.929) 15.381 12.144 ( -0.540 4.571 2.642) 5.307 12.278 ( 0.098 -0.484 4.103) 4.132 12.949 ( 3.116 3.703 6.588) 8.175 13.077 ( 3.004 -3.100 8.683) 9.697 13.724 ( -3.673 35.923 7.011) 36.784 14.176 ( -2.562 33.404 -0.763) 33.511 15.540 ( -3.847 -30.235 -5.091) 30.901 15.866 ( -5.296 -29.997 0.304) 30.462 17.705 ( 1.079 4.569 -5.883) 7.526 17.874 ( 10.288 -3.670 -4.215) 11.708 19.963 ( 7.199 2.830 -10.401) 12.962 20.020 ( 8.230 0.060 -11.786) 14.375 ======================= Grid point 168 (84/312) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( -6.790 23.595 5.776) 25.223 3.712 ( -13.561 14.014 11.577) 22.679 4.232 ( -20.143 16.525 -5.400) 26.608 4.732 ( 9.521 6.493 11.144) 16.031 5.083 ( -10.459 -23.242 -10.038) 27.393 5.224 ( 5.545 -15.070 1.612) 16.138 5.625 ( -7.169 14.601 -4.995) 17.015 6.226 ( 2.979 -13.236 -2.639) 13.821 6.518 ( 18.975 5.751 5.603) 20.604 6.787 ( 4.950 -11.705 -5.354) 13.790 7.272 ( 5.880 -2.385 3.635) 7.312 7.412 ( -0.077 -7.762 5.246) 9.369 8.029 ( -0.425 20.008 -9.362) 22.094 8.597 ( 3.960 -7.778 -0.878) 8.772 9.069 ( 6.110 11.562 -0.862) 13.106 9.216 ( -7.241 27.291 1.430) 28.272 9.495 ( 9.181 1.442 -7.520) 11.955 9.873 ( -0.721 4.527 8.870) 9.985 10.437 ( 5.704 -1.258 20.816) 21.620 10.566 ( -6.571 -5.193 9.585) 12.729 10.897 ( -8.075 -8.721 -0.151) 11.886 10.974 ( -9.171 -5.979 4.556) 11.858 11.144 ( -6.656 -2.608 1.103) 7.233 11.295 ( -0.958 -3.381 6.897) 7.740 12.098 ( -5.905 3.979 5.874) 9.231 12.257 ( -3.802 -2.287 4.699) 6.463 13.028 ( 1.649 3.981 8.977) 9.958 13.174 ( 3.576 -1.990 8.817) 9.720 13.670 ( -3.154 33.058 3.869) 33.433 14.123 ( -2.282 26.471 0.084) 26.569 15.404 ( -7.142 -25.258 -9.314) 27.852 15.775 ( -4.422 -31.904 4.892) 32.579 17.716 ( 1.890 8.831 -6.095) 10.896 18.069 ( 10.433 -8.369 -3.277) 13.771 20.092 ( 9.862 4.621 -11.873) 16.112 20.221 ( 15.992 -1.166 -11.960) 20.004 ======================= Grid point 169 (85/312) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( -5.960 25.342 8.953) 27.529 3.481 ( -13.848 24.768 6.727) 29.163 3.830 ( -18.069 11.359 0.903) 21.362 4.793 ( -12.495 -30.115 -6.525) 33.250 4.924 ( 5.615 6.078 8.208) 11.655 5.360 ( 6.097 0.075 -1.567) 6.295 5.524 ( -1.098 6.454 -1.748) 6.776 6.263 ( 1.092 -15.567 -1.751) 15.704 6.850 ( 9.443 2.860 1.516) 9.982 6.907 ( 8.765 -3.458 4.851) 10.598 7.372 ( 2.186 -0.380 1.232) 2.538 7.489 ( 8.708 -3.889 0.510) 9.550 8.028 ( 2.933 23.363 -3.498) 23.805 8.714 ( 7.836 -6.131 0.319) 9.954 8.959 ( -8.621 22.782 -2.489) 24.486 9.289 ( 7.583 7.956 -1.201) 11.056 9.582 ( 0.591 13.254 -4.808) 14.112 9.862 ( -3.360 6.329 6.756) 9.848 10.213 ( -20.723 -8.637 9.155) 24.246 10.672 ( 2.187 -16.601 8.826) 18.928 10.805 ( -5.602 -6.385 -4.697) 9.706 10.825 ( 1.657 -2.108 -3.604) 4.492 11.108 ( -1.254 0.481 14.038) 14.103 11.340 ( 1.561 -4.784 9.320) 10.592 11.963 ( -10.091 2.501 9.556) 14.121 12.173 ( -6.145 -5.499 5.761) 10.058 13.065 ( -0.892 5.443 9.228) 10.751 13.244 ( -0.200 2.451 8.425) 8.776 13.653 ( 0.878 25.890 1.070) 25.927 14.097 ( -0.565 19.523 0.857) 19.550 15.237 ( -5.864 -19.645 -9.656) 22.661 15.726 ( -2.965 -33.564 6.837) 34.381 17.730 ( 1.534 12.813 -5.939) 14.206 18.235 ( 7.553 -12.237 -2.948) 14.679 20.253 ( 10.551 7.787 -12.628) 18.205 20.521 ( 18.198 -4.809 -13.296) 23.045 ======================= Grid point 170 (86/312) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( -7.318 29.073 12.416) 32.449 3.262 ( -7.175 31.790 3.676) 32.796 3.600 ( -8.024 7.720 10.040) 14.992 4.591 ( -5.550 -32.559 0.516) 33.032 5.039 ( 3.154 5.722 6.622) 9.303 5.412 ( 1.392 25.869 -1.701) 25.962 5.577 ( 4.647 -17.836 0.149) 18.432 6.257 ( -0.802 -15.375 -1.952) 15.520 6.919 ( 0.403 1.895 -2.478) 3.145 7.065 ( 2.828 -4.251 10.714) 11.868 7.420 ( 2.558 6.355 -4.484) 8.188 7.616 ( 3.510 -0.610 -11.015) 11.577 8.138 ( 6.882 25.598 7.498) 27.548 8.802 ( -2.929 22.449 -3.497) 22.907 8.902 ( 8.097 -7.297 -4.520) 11.800 9.381 ( -3.661 9.461 -5.203) 11.401 9.532 ( 3.393 15.485 3.058) 16.145 9.805 ( -4.880 4.956 7.870) 10.503 9.847 ( -17.087 -5.019 1.825) 17.902 10.662 ( -1.543 -21.379 -7.555) 22.727 10.780 ( 1.869 -10.137 3.957) 11.041 10.870 ( 2.304 -3.625 -1.756) 4.640 11.156 ( 0.669 2.319 17.218) 17.386 11.392 ( 0.377 -4.031 8.516) 9.429 11.806 ( -9.510 0.300 15.145) 17.886 12.076 ( -5.537 -9.915 5.991) 12.839 13.065 ( -1.888 6.146 7.482) 9.865 13.226 ( -3.463 7.958 6.670) 10.946 13.696 ( 2.524 19.180 0.569) 19.353 14.101 ( 0.248 15.374 1.405) 15.440 15.133 ( -1.619 -15.607 -8.202) 17.705 15.698 ( -2.441 -34.623 7.449) 35.500 17.736 ( 1.219 15.554 -5.621) 16.583 18.338 ( 3.993 -14.492 -2.646) 15.264 20.393 ( 7.797 10.481 -12.936) 18.385 20.786 ( 12.918 -8.886 -15.340) 21.935 ======================= Grid point 171 (87/312) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( -3.027 -6.607 7.745) 10.620 3.532 ( -3.027 6.607 7.745) 10.620 3.957 ( 7.868 -33.676 12.841) 36.890 3.957 ( 7.868 33.676 12.841) 36.890 5.277 ( -0.082 -14.801 4.376) 15.435 5.277 ( -0.082 14.801 4.376) 15.435 5.895 ( 0.807 -19.719 -1.838) 19.821 5.895 ( 0.807 19.719 -1.838) 19.821 6.987 ( -0.750 -5.964 2.582) 6.542 6.987 ( -0.750 5.964 2.582) 6.542 7.514 ( -4.949 -5.479 -11.739) 13.868 7.514 ( -4.949 5.479 -11.739) 13.868 8.695 ( -5.280 -18.225 -4.516) 19.504 8.695 ( -5.280 18.225 -4.516) 19.504 9.197 ( 1.683 -20.394 0.288) 20.466 9.197 ( 1.683 20.394 0.288) 20.466 9.657 ( -1.383 -16.498 -4.715) 17.214 9.657 ( -1.383 16.498 -4.715) 17.214 10.196 ( 4.900 -26.251 2.413) 26.813 10.196 ( 4.900 26.251 2.413) 26.813 10.654 ( -4.091 -0.598 3.054) 5.140 10.654 ( -4.091 0.598 3.054) 5.140 11.410 ( 5.494 -4.960 14.924) 16.658 11.410 ( 5.494 4.960 14.924) 16.658 11.787 ( -5.942 -8.718 11.955) 15.945 11.787 ( -5.942 8.718 11.955) 15.945 13.161 ( -3.017 -5.832 4.624) 8.031 13.161 ( -3.017 5.832 4.624) 8.031 14.177 ( 1.983 -13.968 -1.241) 14.162 14.177 ( 1.983 13.968 -1.241) 14.162 15.089 ( -1.333 -18.260 3.400) 18.621 15.089 ( -1.333 18.260 3.400) 18.621 18.065 ( 0.997 -16.411 -4.483) 17.041 18.065 ( 0.997 16.411 -4.483) 17.041 20.674 ( 2.630 -11.157 -14.977) 18.860 20.674 ( 2.630 11.157 -14.977) 18.860 ======================= Grid point 173 (88/312) ======================= q-point: ( 0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 1.001 -3.932 7.680) 8.686 3.538 ( 1.001 3.932 7.680) 8.686 4.275 ( 18.083 -30.509 17.406) 39.506 4.275 ( 18.083 30.509 17.406) 39.506 5.239 ( -5.744 -15.427 5.946) 17.503 5.239 ( -5.744 15.427 5.946) 17.503 5.918 ( 2.214 -17.438 -0.764) 17.595 5.918 ( 2.214 17.438 -0.764) 17.595 6.944 ( -5.006 -6.065 -1.817) 8.071 6.944 ( -5.006 6.065 -1.817) 8.071 7.333 ( -7.709 -5.861 -9.455) 13.534 7.333 ( -7.709 5.861 -9.455) 13.534 8.475 ( -10.978 -13.940 -11.121) 20.941 8.475 ( -10.978 13.940 -11.121) 20.941 9.255 ( 1.393 -21.378 -3.489) 21.705 9.255 ( 1.393 21.378 -3.489) 21.705 9.614 ( -0.653 -5.277 -6.207) 8.173 9.614 ( -0.653 5.277 -6.207) 8.173 10.273 ( -0.967 -25.080 5.606) 25.717 10.273 ( -0.967 25.080 5.606) 25.717 10.685 ( 7.709 -7.576 5.567) 12.158 10.685 ( 7.709 7.576 5.567) 12.158 11.568 ( 2.214 -4.270 22.719) 23.222 11.568 ( 2.214 4.270 22.719) 23.222 11.768 ( 2.225 -9.710 5.481) 11.370 11.768 ( 2.225 9.710 5.481) 11.370 13.109 ( -3.536 -5.729 2.966) 7.357 13.109 ( -3.536 5.729 2.966) 7.357 14.219 ( 2.573 -12.792 0.186) 13.049 14.219 ( 2.573 12.792 0.186) 13.049 15.087 ( 0.242 -15.219 2.406) 15.410 15.087 ( 0.242 15.219 2.406) 15.410 18.049 ( -1.139 -15.423 -4.693) 16.162 18.049 ( -1.139 15.423 -4.693) 16.162 20.599 ( -4.835 -9.272 -14.334) 17.743 20.599 ( -4.835 9.272 -14.334) 17.743 ======================= Grid point 175 (89/312) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.618 ( 4.318 -1.666 7.951) 9.200 3.618 ( 4.318 1.666 7.951) 9.200 4.702 ( 18.380 -26.882 15.150) 35.916 4.702 ( 18.380 26.882 15.150) 35.916 5.100 ( -10.617 -15.861 7.770) 20.607 5.100 ( -10.617 15.861 7.770) 20.607 5.976 ( 3.605 -14.955 0.390) 15.388 5.976 ( 3.605 14.955 0.390) 15.388 6.749 ( -12.017 -1.910 -8.595) 14.897 6.749 ( -12.017 1.910 -8.595) 14.897 7.215 ( -3.168 -4.714 -0.357) 5.691 7.215 ( -3.168 4.714 -0.357) 5.691 8.288 ( -2.698 -11.135 -13.364) 17.603 8.288 ( -2.698 11.135 -13.364) 17.603 9.160 ( -7.161 -20.304 -12.804) 25.049 9.160 ( -7.161 20.304 -12.804) 25.049 9.621 ( 2.612 -9.679 -6.463) 11.927 9.621 ( 2.612 9.679 -6.463) 11.927 10.237 ( -2.728 -24.605 5.851) 25.438 10.237 ( -2.728 24.605 5.851) 25.438 10.911 ( 9.396 -8.845 13.305) 18.535 10.911 ( 9.396 8.845 13.305) 18.535 11.613 ( -4.053 -4.414 24.564) 25.285 11.613 ( -4.053 4.414 24.564) 25.285 11.917 ( 9.276 -5.632 2.345) 11.103 11.917 ( 9.276 5.632 2.345) 11.103 13.046 ( -3.871 -4.896 2.143) 6.599 13.046 ( -3.871 4.896 2.143) 6.599 14.281 ( 3.613 -13.278 1.690) 13.864 14.281 ( 3.613 13.278 1.690) 13.864 15.121 ( 2.822 -9.947 0.897) 10.379 15.121 ( 2.822 9.947 0.897) 10.379 17.987 ( -3.424 -12.751 -5.532) 14.315 17.987 ( -3.424 12.751 -5.532) 14.315 20.412 ( -8.935 -5.932 -12.964) 16.825 20.412 ( -8.935 5.932 -12.964) 16.825 ======================= Grid point 177 (90/312) ======================= q-point: ( 0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.749 ( 6.084 -2.104 8.154) 10.388 3.749 ( 6.084 2.104 8.154) 10.388 4.883 ( -11.670 -17.372 6.511) 21.917 4.883 ( -11.670 17.372 6.511) 21.917 5.045 ( 9.532 -21.809 11.028) 26.231 5.045 ( 9.532 21.809 11.028) 26.231 6.035 ( 1.541 -11.277 -1.978) 11.552 6.035 ( 1.541 11.277 -1.978) 11.552 6.510 ( -7.970 -5.897 -6.038) 11.608 6.510 ( -7.970 5.897 -6.038) 11.608 7.165 ( -2.888 -5.261 2.839) 6.640 7.165 ( -2.888 5.261 2.839) 6.640 8.297 ( 7.347 -6.579 -10.463) 14.378 8.297 ( 7.347 6.579 -10.463) 14.378 8.957 ( -7.068 -18.349 -18.888) 27.265 8.957 ( -7.068 18.349 -18.888) 27.265 9.637 ( 1.945 -18.346 -8.513) 20.318 9.637 ( 1.945 18.346 -8.513) 20.318 10.237 ( -0.553 -22.229 11.551) 25.057 10.237 ( -0.553 22.229 11.551) 25.057 11.079 ( 2.079 -12.719 17.139) 21.444 11.079 ( 2.079 12.719 17.139) 21.444 11.622 ( -2.613 -1.761 20.071) 20.317 11.622 ( -2.613 1.761 20.071) 20.317 12.075 ( 5.701 -1.947 2.076) 6.372 12.075 ( 5.701 1.947 2.076) 6.372 12.979 ( -3.535 -3.218 2.459) 5.375 12.979 ( -3.535 3.218 2.459) 5.375 14.365 ( 3.833 -17.350 3.106) 18.038 14.365 ( 3.833 17.350 3.106) 18.038 15.203 ( 5.396 -9.473 -0.650) 10.921 15.203 ( 5.396 9.473 -0.650) 10.921 17.885 ( -4.678 -8.768 -6.525) 11.888 17.885 ( -4.678 8.768 -6.525) 11.888 20.194 ( -8.542 -3.045 -11.643) 14.758 20.194 ( -8.542 3.045 -11.643) 14.758 ======================= Grid point 179 (91/312) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.888 ( 4.602 -8.372 7.654) 12.242 3.888 ( 4.602 8.372 7.654) 12.242 4.685 ( -9.656 -18.876 8.973) 23.023 4.685 ( -9.656 18.876 8.973) 23.023 5.181 ( 1.709 -12.264 3.435) 12.850 5.181 ( 1.709 12.264 3.435) 12.850 6.003 ( -1.739 -3.198 -8.414) 9.168 6.003 ( -1.739 3.198 -8.414) 9.168 6.422 ( -1.448 -9.505 -0.688) 9.639 6.422 ( -1.448 9.505 -0.688) 9.639 7.130 ( -1.498 -5.754 4.298) 7.336 7.130 ( -1.498 5.754 4.298) 7.336 8.445 ( 7.530 -3.952 -1.312) 8.605 8.445 ( 7.530 3.952 -1.312) 8.605 8.797 ( 0.428 -18.304 -28.625) 33.980 8.797 ( 0.428 18.304 -28.625) 33.980 9.673 ( 4.534 -17.037 -3.746) 18.024 9.673 ( 4.534 17.037 -3.746) 18.024 10.270 ( -1.585 -20.315 17.744) 27.020 10.270 ( -1.585 20.315 17.744) 27.020 11.114 ( -3.707 -10.918 17.164) 20.677 11.114 ( -3.707 10.918 17.164) 20.677 11.623 ( -4.352 -4.964 13.690) 15.198 11.623 ( -4.352 4.964 13.690) 15.198 12.157 ( 2.602 -1.856 1.650) 3.597 12.157 ( 2.602 1.856 1.650) 3.597 12.937 ( -1.678 -2.453 4.013) 4.993 12.937 ( -1.678 2.453 4.013) 4.993 14.434 ( 1.764 -22.741 3.831) 23.128 14.434 ( 1.764 22.741 3.831) 23.128 15.307 ( 4.949 -17.244 -1.782) 18.029 15.307 ( 4.949 17.244 -1.782) 18.029 17.781 ( -3.008 -4.339 -7.009) 8.775 17.781 ( -3.008 4.339 -7.009) 8.775 20.025 ( -4.568 -1.955 -11.067) 12.131 20.025 ( -4.568 1.955 -11.067) 12.131 ======================= Grid point 181 (92/312) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( -2.402 -14.342 6.056) 15.752 3.939 ( -2.402 14.342 6.056) 15.752 4.624 ( 0.422 -20.098 11.562) 23.191 4.624 ( 0.422 20.098 11.562) 23.191 5.143 ( -5.650 -10.137 -2.657) 11.906 5.143 ( -5.650 10.137 -2.657) 11.906 5.966 ( 1.214 -7.792 -8.052) 11.270 5.966 ( 1.214 7.792 -8.052) 11.270 6.392 ( -1.136 -13.869 -2.930) 14.221 6.392 ( -1.136 13.869 -2.930) 14.221 7.146 ( 1.216 -6.594 6.209) 9.139 7.146 ( 1.216 6.594 6.209) 9.139 8.476 ( -3.310 -7.006 -0.947) 7.806 8.476 ( -3.310 7.006 -0.947) 7.806 8.858 ( 14.960 -15.442 -27.767) 35.118 8.858 ( 14.960 15.442 -27.767) 35.118 9.774 ( 4.666 -9.485 3.167) 11.035 9.774 ( 4.666 9.485 3.167) 11.035 10.298 ( -2.007 -21.793 22.928) 31.696 10.298 ( -2.007 21.793 22.928) 31.696 11.077 ( -5.380 -7.463 14.822) 17.445 11.077 ( -5.380 7.463 14.822) 17.445 11.518 ( -9.777 -5.821 5.996) 12.862 11.518 ( -9.777 5.821 5.996) 12.862 12.205 ( 1.687 -3.123 2.508) 4.346 12.205 ( 1.687 3.123 2.508) 4.346 12.948 ( 1.020 -2.908 6.355) 7.063 12.948 ( 1.020 2.908 6.355) 7.063 14.449 ( -1.620 -24.843 3.361) 25.122 14.449 ( -1.620 24.843 3.361) 25.122 15.356 ( 0.405 -20.945 -2.192) 21.063 15.356 ( 0.405 20.945 -2.192) 21.063 17.742 ( 1.653 -0.478 -6.771) 6.987 17.742 ( 1.653 0.478 -6.771) 6.987 19.954 ( 1.435 -1.780 -11.315) 11.544 19.954 ( 1.435 1.780 -11.315) 11.544 ======================= Grid point 183 (93/312) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.859 ( -6.844 -13.664 6.131) 16.466 3.859 ( -6.844 13.664 6.131) 16.466 4.750 ( 7.002 -16.632 11.376) 21.332 4.750 ( 7.002 16.632 11.376) 21.332 4.948 ( -12.568 -17.759 -7.581) 23.040 4.948 ( -12.568 17.759 -7.581) 23.040 5.972 ( 0.539 -10.985 -5.310) 12.213 5.972 ( 0.539 10.985 -5.310) 12.213 6.409 ( 6.045 -15.022 -4.223) 16.734 6.409 ( 6.045 15.022 -4.223) 16.734 7.209 ( 2.596 -6.184 6.921) 9.637 7.209 ( 2.596 6.184 6.921) 9.637 8.401 ( -1.912 -11.251 -6.192) 12.984 8.401 ( -1.912 11.251 -6.192) 12.984 9.097 ( 16.162 -13.362 -18.425) 27.915 9.097 ( 16.162 13.362 -18.425) 27.915 9.817 ( -2.534 -10.730 8.168) 13.721 9.817 ( -2.534 10.730 8.168) 13.721 10.373 ( 1.199 -15.443 23.955) 28.526 10.373 ( 1.199 15.443 23.955) 28.526 11.000 ( -7.871 -5.425 10.436) 14.152 11.000 ( -7.871 5.425 10.436) 14.152 11.321 ( -10.069 -4.535 1.568) 11.154 11.321 ( -10.069 4.535 1.568) 11.154 12.229 ( -0.791 -3.855 3.913) 5.550 12.229 ( -0.791 3.855 3.913) 5.550 13.014 ( 2.983 -3.235 8.305) 9.399 13.014 ( 2.983 3.235 8.305) 9.399 14.393 ( -4.932 -23.007 1.547) 23.580 14.393 ( -4.932 23.007 1.547) 23.580 15.312 ( -3.772 -18.865 -1.392) 19.288 15.312 ( -3.772 18.865 -1.392) 19.288 17.795 ( 5.659 -4.556 -6.257) 9.588 17.795 ( 5.659 4.556 -6.257) 9.588 20.007 ( 7.998 -1.474 -12.013) 14.507 20.007 ( 7.998 1.474 -12.013) 14.507 ======================= Grid point 185 (94/312) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.745 ( -6.974 -11.013 7.776) 15.178 3.745 ( -6.974 11.013 7.776) 15.178 4.607 ( -18.368 -22.028 -9.780) 30.303 4.607 ( -18.368 22.028 -9.780) 30.303 4.937 ( 7.651 -12.048 8.837) 16.787 4.937 ( 7.651 12.048 8.837) 16.787 5.941 ( -1.326 -16.004 -4.594) 16.703 5.941 ( -1.326 16.004 -4.594) 16.703 6.612 ( 14.170 -5.953 -0.365) 15.374 6.612 ( 14.170 5.953 -0.365) 15.374 7.287 ( 3.551 -4.043 5.659) 7.809 7.287 ( 3.551 4.043 5.659) 7.809 8.386 ( 2.848 -14.546 -6.189) 16.063 8.386 ( 2.848 14.546 -6.189) 16.063 9.299 ( 8.461 -10.882 -13.554) 19.332 9.299 ( 8.461 10.882 -13.554) 19.332 9.783 ( -1.826 -16.423 9.037) 18.834 9.783 ( -1.826 16.423 9.037) 18.834 10.439 ( -5.250 -4.912 21.747) 22.904 10.439 ( -5.250 4.912 21.747) 22.904 10.833 ( -8.675 -4.443 -0.400) 9.755 10.833 ( -8.675 4.443 -0.400) 9.755 11.207 ( -3.076 -5.263 7.058) 9.326 11.207 ( -3.076 5.263 7.058) 9.326 12.185 ( -5.631 -4.492 5.995) 9.372 12.185 ( -5.631 4.492 5.995) 9.372 13.107 ( 3.072 -4.069 9.197) 10.516 13.107 ( 3.072 4.069 9.197) 10.516 14.283 ( -5.906 -20.020 -1.064) 20.900 14.283 ( -5.906 20.020 -1.064) 20.900 15.226 ( -4.395 -16.912 0.573) 17.483 15.226 ( -4.395 16.912 0.573) 17.483 17.896 ( 6.304 -9.306 -5.844) 12.669 17.896 ( 6.304 9.306 -5.844) 12.669 20.174 ( 13.101 -3.526 -12.861) 18.694 20.174 ( 13.101 3.526 -12.861) 18.694 ======================= Grid point 187 (95/312) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( -5.776 -9.317 9.667) 14.616 3.649 ( -5.776 9.317 9.667) 14.616 4.210 ( -18.146 -28.377 -6.791) 34.361 4.210 ( -18.146 28.377 -6.791) 34.361 5.100 ( 6.430 -12.717 5.902) 15.424 5.100 ( 6.430 12.717 5.902) 15.424 5.908 ( -0.458 -20.343 -3.981) 20.734 5.908 ( -0.458 20.343 -3.981) 20.734 6.865 ( 9.237 -1.731 2.924) 9.842 6.865 ( 9.237 1.731 2.924) 9.842 7.407 ( 7.667 -3.666 2.252) 8.792 7.407 ( 7.667 3.666 2.252) 8.792 8.474 ( 8.007 -18.364 -4.460) 20.524 8.474 ( 8.007 18.364 -4.460) 20.524 9.309 ( -2.275 -9.692 -6.753) 12.029 9.309 ( -2.275 9.692 -6.753) 12.029 9.825 ( 1.502 -10.631 3.171) 11.195 9.825 ( 1.502 10.631 3.171) 11.195 10.272 ( -13.426 -16.138 7.317) 22.231 10.272 ( -13.426 16.138 7.317) 22.231 10.753 ( -1.505 -1.817 3.182) 3.962 10.753 ( -1.505 1.817 3.182) 3.962 11.218 ( 0.208 -7.106 11.723) 13.710 11.218 ( 0.208 7.106 11.723) 13.710 12.057 ( -9.622 -6.078 8.398) 14.144 12.057 ( -9.622 6.078 8.398) 14.144 13.177 ( 0.709 -5.722 8.731) 10.463 13.177 ( 0.709 5.722 8.731) 10.463 14.185 ( -2.967 -17.721 -2.748) 18.176 14.185 ( -2.967 17.721 -2.748) 18.176 15.156 ( -3.303 -18.200 2.507) 18.667 15.156 ( -3.303 18.200 2.507) 18.667 17.986 ( 4.789 -13.211 -5.406) 15.057 17.986 ( 4.789 13.211 -5.406) 15.057 20.401 ( 14.212 -7.148 -13.804) 21.063 20.401 ( 14.212 7.148 -13.804) 21.063 ======================= Grid point 189 (96/312) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.584 ( -4.716 -10.122 9.804) 14.860 3.584 ( -4.716 10.122 9.804) 14.860 3.929 ( -7.992 -34.646 1.897) 35.606 3.929 ( -7.992 34.646 1.897) 35.606 5.221 ( 4.086 -13.903 4.226) 15.095 5.221 ( 4.086 13.903 4.226) 15.095 5.894 ( 0.191 -21.182 -2.965) 21.389 5.894 ( 0.191 21.182 -2.965) 21.389 6.971 ( 1.612 -4.281 3.621) 5.834 6.971 ( 1.612 4.281 3.621) 5.834 7.547 ( 4.865 -5.711 -5.084) 9.063 7.547 ( 4.865 5.711 -5.084) 9.063 8.643 ( 8.884 -20.566 -1.261) 22.438 8.643 ( 8.884 20.566 -1.261) 22.438 9.233 ( -3.261 -19.868 -2.420) 20.278 9.233 ( -3.261 19.868 -2.420) 20.278 9.755 ( -7.713 -8.226 -1.185) 11.338 9.755 ( -7.713 8.226 -1.185) 11.338 10.142 ( -0.190 -24.107 -1.286) 24.142 10.142 ( -0.190 24.107 -1.286) 24.142 10.726 ( -3.623 -4.803 5.509) 8.158 10.726 ( -3.623 4.803 5.509) 8.158 11.285 ( 2.425 -7.141 13.284) 15.275 11.285 ( 2.425 7.141 13.284) 15.275 11.899 ( -9.326 -7.963 10.897) 16.405 11.899 ( -9.326 7.963 10.897) 16.405 13.190 ( -1.874 -6.144 6.816) 9.366 13.190 ( -1.874 6.144 6.816) 9.366 14.155 ( 0.578 -15.677 -2.486) 15.883 14.155 ( 0.578 15.677 -2.486) 15.883 15.113 ( -2.283 -19.155 3.501) 19.605 15.113 ( -2.283 19.155 3.501) 19.605 18.043 ( 2.881 -15.650 -4.854) 16.637 18.043 ( 2.881 15.650 -4.854) 16.637 20.597 ( 10.180 -10.289 -14.671) 20.609 20.597 ( 10.180 10.289 -14.671) 20.609 ======================= Grid point 231 (97/312) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 8.086 0.000 37.807) 38.662 1.575 ( -1.803 0.000 39.723) 39.764 2.798 ( -1.025 0.000 32.400) 32.416 3.385 ( -7.036 0.000 59.735) 60.148 4.948 ( -8.078 0.000 -5.209) 9.612 5.686 ( -14.770 0.000 12.583) 19.403 6.102 ( -1.340 0.000 2.087) 2.480 6.251 ( 1.770 0.000 -35.469) 35.513 6.955 ( 2.609 0.000 -3.830) 4.634 7.211 ( -0.014 0.000 4.709) 4.709 7.299 ( -1.257 0.000 -2.791) 3.061 7.597 ( 9.623 0.000 -2.209) 9.873 8.171 ( 1.293 0.000 -9.982) 10.065 8.247 ( 13.019 0.000 6.873) 14.722 8.476 ( 4.858 0.000 24.501) 24.978 8.869 ( -13.082 0.000 -5.162) 14.064 9.370 ( -6.241 0.000 8.855) 10.833 9.782 ( 2.728 0.000 3.529) 4.460 9.899 ( -4.024 0.000 11.043) 11.753 10.032 ( 3.004 0.000 15.020) 15.318 10.697 ( -7.729 0.000 38.086) 38.862 10.779 ( 11.988 0.000 8.355) 14.612 11.212 ( -10.166 0.000 -0.642) 10.186 11.573 ( -1.379 0.000 -6.612) 6.754 12.108 ( -3.252 0.000 -14.854) 15.206 12.209 ( -0.464 0.000 -19.438) 19.444 13.024 ( 0.136 0.000 -19.418) 19.418 13.093 ( 0.661 0.000 15.202) 15.217 13.336 ( 4.421 0.000 1.368) 4.628 13.438 ( 0.361 0.000 1.071) 1.130 15.981 ( 6.460 0.000 -19.151) 20.211 16.276 ( 3.617 0.000 -22.302) 22.594 17.696 ( -8.883 0.000 17.538) 19.659 19.635 ( 0.345 0.000 -9.755) 9.761 19.983 ( 3.587 0.000 3.114) 4.750 20.555 ( -14.692 0.000 -3.488) 15.100 ======================= Grid point 232 (98/312) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 16.581 0.000 35.963) 39.601 2.025 ( 31.678 0.000 33.561) 46.150 2.899 ( 1.151 0.000 20.761) 20.793 3.645 ( 14.973 0.000 65.444) 67.135 4.750 ( -9.419 0.000 -8.373) 12.602 5.392 ( -21.174 0.000 27.577) 34.768 6.110 ( -2.507 0.000 -41.589) 41.665 6.193 ( 12.000 0.000 -10.593) 16.007 6.972 ( 0.965 0.000 -5.324) 5.411 7.204 ( -1.692 0.000 2.095) 2.693 7.268 ( -2.764 0.000 4.216) 5.041 7.795 ( 10.036 0.000 0.317) 10.041 8.157 ( 0.186 0.000 -6.027) 6.030 8.453 ( 5.335 0.000 7.406) 9.127 8.501 ( -14.169 0.000 1.193) 14.219 8.643 ( -3.683 0.000 11.802) 12.364 9.330 ( 0.982 0.000 11.668) 11.709 9.879 ( 5.608 0.000 5.667) 7.973 9.909 ( -0.124 0.000 8.519) 8.520 10.094 ( -2.596 0.000 15.820) 16.032 10.661 ( -8.394 0.000 31.065) 32.179 11.064 ( 12.813 0.000 11.127) 16.970 11.108 ( -2.446 0.000 2.535) 3.522 11.524 ( -0.904 0.000 -8.329) 8.378 11.992 ( -2.466 0.000 -16.402) 16.587 12.151 ( 2.313 0.000 -20.624) 20.753 12.844 ( -10.416 0.000 -19.415) 22.032 13.159 ( 0.424 0.000 12.027) 12.034 13.377 ( -1.502 0.000 -1.884) 2.409 13.422 ( -2.381 0.000 3.840) 4.519 16.120 ( 13.442 0.000 -13.087) 18.761 16.268 ( 3.420 0.000 -22.440) 22.699 17.573 ( -10.036 0.000 19.442) 21.879 19.621 ( 1.445 0.000 -8.478) 8.601 20.031 ( -32.926 0.000 6.144) 33.494 20.040 ( 0.960 0.000 3.370) 3.504 ======================= Grid point 233 (99/312) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 25.386 0.000 30.230) 39.475 2.639 ( 18.173 0.000 33.274) 37.913 2.982 ( 1.665 0.000 21.503) 21.567 4.430 ( 42.669 0.000 47.814) 64.084 4.543 ( -8.933 0.000 -7.985) 11.981 5.088 ( -20.272 0.000 34.721) 40.205 5.895 ( -3.952 0.000 -43.752) 43.930 6.451 ( 17.741 0.000 -14.269) 22.767 6.946 ( -3.299 0.000 -3.024) 4.475 7.166 ( -2.503 0.000 0.210) 2.512 7.211 ( -3.821 0.000 4.447) 5.863 7.966 ( 7.957 0.000 -2.529) 8.349 8.124 ( -4.597 0.000 5.733) 7.348 8.241 ( -6.493 0.000 -11.489) 13.197 8.521 ( -0.976 0.000 9.916) 9.964 8.605 ( -4.491 0.000 10.072) 11.028 9.468 ( 6.981 0.000 13.064) 14.812 9.907 ( -3.649 0.000 7.904) 8.706 9.931 ( -6.524 0.000 6.816) 9.435 10.169 ( 7.757 0.000 14.204) 16.184 10.569 ( -8.884 0.000 20.395) 22.246 11.042 ( -6.709 0.000 14.016) 15.539 11.319 ( 9.924 0.000 7.265) 12.298 11.493 ( 1.189 0.000 -9.542) 9.616 11.918 ( -1.114 0.000 -15.827) 15.866 12.181 ( 7.534 0.000 -17.103) 18.689 12.533 ( -13.898 0.000 -18.379) 23.042 13.142 ( -5.860 0.000 4.431) 7.347 13.260 ( -9.240 0.000 -0.389) 9.248 13.410 ( -0.792 0.000 11.440) 11.467 16.258 ( 3.436 0.000 -22.467) 22.728 16.401 ( 18.751 0.000 -8.782) 20.706 17.449 ( -9.656 0.000 20.724) 22.864 19.477 ( -25.328 0.000 6.365) 26.115 19.632 ( 2.386 0.000 -7.313) 7.692 20.040 ( -2.007 0.000 2.814) 3.457 ======================= Grid point 234 (100/312) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( -0.337 0.000 16.058) 16.061 3.008 ( 27.198 0.000 26.247) 37.798 3.252 ( 13.882 0.000 43.146) 45.324 4.343 ( -10.066 0.000 -3.810) 10.763 4.767 ( -19.448 0.000 32.145) 37.570 5.538 ( 48.387 0.000 31.112) 57.526 5.703 ( 0.523 0.000 -42.579) 42.582 6.737 ( 15.661 0.000 -13.117) 20.428 6.788 ( -11.726 0.000 0.497) 11.736 7.122 ( -0.925 0.000 -1.208) 1.521 7.201 ( 1.841 0.000 0.994) 2.092 8.041 ( -5.275 0.000 11.724) 12.856 8.094 ( 7.361 0.000 -8.026) 10.891 8.164 ( 0.633 0.000 -12.132) 12.148 8.480 ( -6.936 0.000 9.193) 11.516 8.576 ( -0.829 0.000 6.189) 6.244 9.627 ( 4.191 0.000 10.443) 11.252 9.676 ( -20.908 0.000 0.453) 20.913 9.811 ( -8.159 0.000 5.071) 9.607 10.237 ( -6.175 0.000 16.639) 17.747 10.677 ( 10.128 0.000 25.591) 27.522 11.031 ( 2.934 0.000 18.899) 19.126 11.493 ( 3.862 0.000 -0.780) 3.940 11.521 ( 8.264 0.000 -8.867) 12.121 11.747 ( -11.332 0.000 -17.010) 20.439 12.221 ( -13.032 0.000 -13.854) 19.020 12.317 ( 10.556 0.000 -9.460) 14.175 12.981 ( -10.833 0.000 0.710) 10.856 13.074 ( -8.828 0.000 2.758) 9.248 13.451 ( -0.479 0.000 15.715) 15.722 16.250 ( 3.573 0.000 -22.410) 22.693 16.757 ( 20.164 0.000 -9.405) 22.250 17.343 ( -8.560 0.000 22.853) 24.403 19.088 ( -16.572 0.000 0.891) 16.596 19.659 ( 2.734 0.000 -6.754) 7.286 19.987 ( -4.085 0.000 1.718) 4.432 ======================= Grid point 235 (101/312) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -3.775 0.000 14.383) 14.870 3.577 ( 19.714 0.000 23.180) 30.430 3.690 ( 13.857 0.000 48.643) 50.579 4.127 ( -9.764 0.000 1.724) 9.915 4.495 ( -19.141 0.000 33.176) 38.302 5.663 ( 9.703 0.000 -37.206) 38.450 6.299 ( 14.778 0.000 -3.945) 15.296 6.554 ( -11.226 0.000 -0.463) 11.236 6.988 ( 13.259 0.000 -8.683) 15.849 7.234 ( 17.855 0.000 7.394) 19.326 7.251 ( 2.053 0.000 0.248) 2.068 7.999 ( -2.890 0.000 9.381) 9.816 8.183 ( 4.957 0.000 -6.371) 8.072 8.195 ( 4.122 0.000 -7.969) 8.972 8.296 ( -12.449 0.000 4.927) 13.388 8.615 ( 2.388 0.000 6.534) 6.957 9.231 ( -21.620 0.000 2.595) 21.776 9.612 ( -8.653 0.000 0.147) 8.654 9.718 ( -1.775 0.000 7.043) 7.263 10.187 ( -5.446 0.000 17.981) 18.788 10.825 ( -5.297 0.000 39.915) 40.265 11.366 ( 16.582 0.000 4.589) 17.206 11.480 ( -0.373 0.000 -12.722) 12.727 11.515 ( 1.128 0.000 -5.282) 5.401 11.705 ( 12.024 0.000 -8.866) 14.939 11.881 ( -18.386 0.000 -8.923) 20.437 12.489 ( 7.761 0.000 -4.148) 8.800 12.754 ( -11.314 0.000 0.444) 11.323 12.967 ( -3.582 0.000 3.764) 5.196 13.483 ( -2.217 0.000 17.427) 17.568 16.245 ( 3.764 0.000 -22.306) 22.621 17.017 ( 6.230 0.000 -16.524) 17.659 17.344 ( 3.375 0.000 30.610) 30.796 18.830 ( -9.748 0.000 -3.014) 10.203 19.686 ( 2.218 0.000 -6.833) 7.184 19.906 ( -4.233 0.000 0.313) 4.244 ======================= Grid point 236 (102/312) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -4.990 0.000 15.776) 16.546 3.602 ( -19.766 0.000 11.012) 22.627 3.980 ( -10.460 0.000 54.888) 55.876 4.283 ( 19.102 0.000 15.963) 24.893 4.378 ( 4.354 0.000 29.295) 29.617 5.813 ( 16.362 0.000 -28.967) 33.268 6.123 ( -22.811 0.000 -18.895) 29.620 6.379 ( -5.810 0.000 -2.949) 6.516 7.109 ( 4.627 0.000 -11.672) 12.556 7.265 ( -0.248 0.000 -0.440) 0.505 7.606 ( 6.019 0.000 -5.944) 8.459 7.898 ( -21.486 0.000 10.305) 23.829 8.001 ( 0.544 0.000 5.105) 5.134 8.289 ( 6.188 0.000 -3.294) 7.010 8.526 ( 24.743 0.000 -1.260) 24.775 8.714 ( 5.031 0.000 10.874) 11.982 8.944 ( -7.009 0.000 8.610) 11.103 9.451 ( -6.004 0.000 -2.080) 6.355 9.671 ( -5.188 0.000 3.751) 6.402 10.103 ( -9.372 0.000 15.547) 18.153 10.824 ( -7.442 0.000 38.524) 39.237 11.376 ( 3.727 0.000 -7.669) 8.527 11.470 ( -16.283 0.000 -5.409) 17.157 11.506 ( -0.268 0.000 -5.029) 5.036 11.908 ( 11.682 0.000 -10.235) 15.531 11.944 ( 25.865 0.000 4.446) 26.244 12.393 ( -13.714 0.000 -4.975) 14.589 12.735 ( 6.464 0.000 3.383) 7.296 12.936 ( -1.242 0.000 2.330) 2.640 13.478 ( -4.534 0.000 17.757) 18.327 16.245 ( 4.007 0.000 -22.170) 22.529 16.921 ( -7.716 0.000 -11.102) 13.520 17.617 ( 10.288 0.000 26.833) 28.738 18.704 ( -1.243 0.000 -4.057) 4.243 19.695 ( 1.021 0.000 -6.468) 6.548 19.838 ( -2.333 0.000 -1.930) 3.028 ======================= Grid point 237 (103/312) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -5.790 0.000 19.248) 20.100 3.163 ( -27.977 0.000 13.132) 30.906 3.756 ( -24.443 0.000 45.805) 51.919 4.691 ( 15.696 0.000 15.549) 22.094 4.746 ( 14.569 0.000 37.700) 40.417 5.407 ( -41.999 0.000 -13.076) 43.988 6.044 ( 14.182 0.000 -21.701) 25.924 6.335 ( 3.888 0.000 -5.511) 6.745 7.084 ( -4.655 0.000 -13.171) 13.970 7.264 ( 1.115 0.000 -1.788) 2.108 7.500 ( -6.556 0.000 -15.002) 16.372 7.589 ( -14.118 0.000 12.921) 19.138 8.047 ( 2.465 0.000 3.007) 3.888 8.350 ( 0.962 0.000 -3.758) 3.879 8.548 ( -12.392 0.000 -6.887) 14.177 8.871 ( 6.165 0.000 10.938) 12.556 9.377 ( 32.065 0.000 12.443) 34.395 9.416 ( 2.997 0.000 4.367) 5.297 9.556 ( -6.876 0.000 0.673) 6.909 9.965 ( -8.654 0.000 12.491) 15.196 10.816 ( -7.669 0.000 39.065) 39.811 11.092 ( -13.298 0.000 -0.114) 13.298 11.460 ( -3.700 0.000 -3.992) 5.444 11.654 ( 19.833 0.000 -6.732) 20.944 11.990 ( -8.652 0.000 -1.987) 8.877 12.172 ( 3.185 0.000 -16.171) 16.481 12.402 ( 19.032 0.000 0.515) 19.039 12.875 ( 5.511 0.000 7.182) 9.052 12.931 ( 0.730 0.000 0.100) 0.737 13.429 ( -6.110 0.000 15.375) 16.545 16.250 ( 4.272 0.000 -22.022) 22.432 16.693 ( -10.946 0.000 -13.502) 17.381 17.837 ( 1.813 0.000 28.454) 28.512 18.795 ( 11.981 0.000 1.286) 12.050 19.692 ( 1.136 0.000 -4.698) 4.833 19.799 ( -0.736 0.000 -5.252) 5.303 ======================= Grid point 238 (104/312) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -31.392 0.000 18.556) 36.466 2.747 ( -6.928 0.000 25.382) 26.311 3.379 ( -29.599 0.000 31.834) 43.469 4.406 ( -48.568 0.000 9.034) 49.401 4.971 ( 8.350 0.000 11.172) 13.948 5.245 ( 14.653 0.000 40.820) 43.370 6.172 ( 7.275 0.000 -17.864) 19.288 6.500 ( 13.165 0.000 -6.764) 14.801 6.794 ( -17.729 0.000 -18.161) 25.379 7.303 ( 3.735 0.000 -4.075) 5.528 7.380 ( -3.246 0.000 -8.768) 9.350 7.438 ( -4.690 0.000 8.292) 9.526 8.097 ( 1.183 0.000 2.493) 2.759 8.254 ( -14.261 0.000 -5.157) 15.165 8.318 ( -2.163 0.000 -2.393) 3.226 9.009 ( 5.973 0.000 5.286) 7.976 9.408 ( -6.627 0.000 -0.457) 6.643 9.612 ( 10.649 0.000 15.055) 18.440 9.830 ( 0.957 0.000 15.575) 15.604 9.905 ( 6.009 0.000 0.199) 6.013 10.744 ( -10.567 0.000 35.558) 37.095 11.058 ( 7.736 0.000 6.011) 9.797 11.277 ( -15.123 0.000 -3.312) 15.481 11.767 ( -7.677 0.000 -3.378) 8.387 12.068 ( 24.264 0.000 -6.640) 25.156 12.257 ( 7.057 0.000 -17.463) 18.835 12.608 ( 2.524 0.000 -8.647) 9.008 12.990 ( 2.437 0.000 13.640) 13.856 13.011 ( 8.015 0.000 0.885) 8.064 13.361 ( -4.468 0.000 8.470) 9.577 16.260 ( 4.431 0.000 -21.922) 22.365 16.422 ( -11.184 0.000 -17.126) 20.454 17.891 ( -4.641 0.000 25.146) 25.571 19.174 ( 23.707 0.000 14.668) 27.877 19.718 ( 2.833 0.000 -3.176) 4.256 19.765 ( -0.461 0.000 -7.389) 7.403 ======================= Grid point 239 (105/312) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -30.566 0.000 25.953) 40.098 2.592 ( -35.829 0.000 23.082) 42.621 2.808 ( -19.616 0.000 16.118) 25.388 3.700 ( -30.646 0.000 44.153) 53.746 5.094 ( 1.640 0.000 5.408) 5.651 5.656 ( 11.553 0.000 41.972) 43.533 6.243 ( 6.863 0.000 -20.773) 21.878 6.384 ( -15.980 0.000 -17.421) 23.641 6.725 ( 11.018 0.000 -4.065) 11.744 7.270 ( -6.240 0.000 2.011) 6.556 7.355 ( 2.769 0.000 -7.906) 8.377 7.437 ( 2.108 0.000 -3.078) 3.730 8.015 ( -7.812 0.000 -0.865) 7.860 8.110 ( 0.836 0.000 -0.487) 0.968 8.288 ( -1.213 0.000 5.756) 5.882 9.140 ( 3.727 0.000 2.943) 4.749 9.303 ( -1.672 0.000 -1.238) 2.080 9.793 ( -3.859 0.000 6.867) 7.877 9.876 ( 8.204 0.000 22.326) 23.785 9.963 ( -2.413 0.000 7.801) 8.166 10.708 ( -7.166 0.000 39.546) 40.190 10.900 ( -19.597 0.000 -4.918) 20.205 11.292 ( 12.172 0.000 -2.615) 12.450 11.673 ( -2.231 0.000 -3.908) 4.500 12.297 ( 3.325 0.000 -17.421) 17.735 12.461 ( 2.881 0.000 -21.917) 22.105 12.552 ( 12.613 0.000 -0.049) 12.613 13.046 ( -2.498 0.000 19.540) 19.699 13.176 ( 7.134 0.000 -0.245) 7.138 13.343 ( 1.545 0.000 0.219) 1.560 16.167 ( -8.015 0.000 -20.052) 21.595 16.271 ( 4.334 0.000 -21.945) 22.369 17.858 ( -6.352 0.000 20.951) 21.892 19.717 ( -0.514 0.000 -10.198) 10.211 19.786 ( 31.872 0.000 22.061) 38.763 19.793 ( 4.398 0.000 0.187) 4.402 ======================= Grid point 240 (106/312) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -21.449 0.000 34.875) 40.943 1.718 ( -44.245 0.000 19.853) 48.495 2.745 ( -5.251 0.000 34.349) 34.748 3.430 ( -16.807 0.000 53.919) 56.478 5.078 ( -3.965 0.000 -0.244) 3.972 5.850 ( -4.900 0.000 14.974) 15.756 6.154 ( -4.569 0.000 4.765) 6.601 6.285 ( 5.395 0.000 -27.318) 27.846 6.883 ( 6.230 0.000 -2.244) 6.621 7.192 ( -1.674 0.000 4.780) 5.064 7.342 ( -0.607 0.000 -9.279) 9.298 7.478 ( 4.121 0.000 -5.630) 6.977 8.003 ( 6.290 0.000 6.500) 9.045 8.154 ( 4.395 0.000 -9.653) 10.607 8.321 ( 0.957 0.000 21.507) 21.529 9.078 ( -7.414 0.000 -2.678) 7.883 9.377 ( 3.920 0.000 3.992) 5.595 9.754 ( -1.089 0.000 2.288) 2.534 9.955 ( -1.176 0.000 14.866) 14.912 9.990 ( -6.367 0.000 21.848) 22.756 10.634 ( -2.110 0.000 -2.213) 3.057 10.707 ( -7.152 0.000 40.382) 41.010 11.392 ( -2.250 0.000 -6.885) 7.243 11.622 ( -1.682 0.000 -5.018) 5.292 12.252 ( -7.878 0.000 -15.049) 16.986 12.275 ( 0.616 0.000 -17.724) 17.735 12.907 ( 16.734 0.000 -11.479) 20.293 13.053 ( -2.373 0.000 17.734) 17.892 13.267 ( 2.750 0.000 0.167) 2.755 13.399 ( 3.203 0.000 -0.344) 3.222 16.001 ( -1.313 0.000 -21.543) 21.583 16.278 ( 3.993 0.000 -22.100) 22.457 17.793 ( -7.249 0.000 17.889) 19.302 19.671 ( -0.429 0.000 -10.497) 10.505 19.890 ( 4.896 0.000 1.985) 5.283 20.439 ( 24.331 0.000 8.406) 25.742 ======================= Grid point 241 (107/312) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 7.431 21.423 32.694) 39.788 1.978 ( -0.235 31.783 31.154) 44.506 3.023 ( -2.067 22.080 21.545) 30.919 3.491 ( -4.601 12.707 60.707) 62.193 4.956 ( -6.489 1.228 -2.352) 7.011 5.754 ( -14.937 6.187 12.795) 20.618 6.046 ( 1.877 -4.994 2.019) 5.705 6.266 ( 1.556 0.592 -31.350) 31.395 6.927 ( 3.297 -2.146 -4.746) 6.165 7.153 ( -4.027 -7.344 -5.142) 9.828 7.234 ( 3.563 -3.292 3.403) 5.926 7.636 ( 5.933 2.302 -5.208) 8.223 8.028 ( 5.849 -11.659 -1.513) 13.132 8.252 ( 2.642 1.145 1.742) 3.366 8.554 ( 1.581 5.752 23.722) 24.460 8.882 ( -9.932 2.827 -2.508) 10.626 9.268 ( -4.253 -6.915 5.540) 9.829 9.869 ( -6.039 0.640 12.825) 14.190 9.938 ( 1.863 10.878 2.836) 11.395 10.252 ( 2.093 19.470 13.899) 24.013 10.666 ( 6.681 -4.728 13.405) 15.706 10.793 ( -5.854 5.414 26.205) 27.391 11.268 ( 1.023 6.297 2.011) 6.689 11.921 ( 2.186 13.844 -11.619) 18.206 12.075 ( -0.751 -1.731 -13.764) 13.892 12.166 ( -9.497 3.447 -13.113) 16.554 12.904 ( -0.018 -8.837 -10.076) 13.403 13.122 ( 0.390 0.889 9.445) 9.495 13.382 ( 0.821 5.165 1.445) 5.426 13.510 ( 2.336 5.948 -1.238) 6.509 15.840 ( 5.898 -11.847 -18.255) 22.548 16.388 ( 5.026 8.499 -22.673) 24.730 17.618 ( -8.021 -7.870 17.337) 20.660 19.468 ( -3.448 -18.581 2.702) 19.090 19.849 ( 3.481 -3.686 -1.613) 5.320 20.674 ( -7.909 5.793 -14.734) 17.698 ======================= Grid point 242 (108/312) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 21.776 19.829 29.659) 41.798 2.255 ( 17.552 21.851 32.253) 42.730 3.061 ( -1.183 15.604 16.767) 22.935 3.820 ( 19.004 19.252 60.393) 66.175 4.796 ( -8.302 4.498 -5.534) 10.944 5.463 ( -20.163 7.071 23.197) 31.538 6.108 ( 0.000 -0.438 -26.393) 26.396 6.187 ( 8.029 -1.073 -18.821) 20.490 6.943 ( 0.508 -3.452 -5.896) 6.851 7.105 ( -1.117 -7.270 0.305) 7.361 7.264 ( -1.777 -2.424 3.124) 4.335 7.747 ( 6.688 -3.731 -1.963) 7.906 8.085 ( 2.837 -10.043 -4.419) 11.333 8.298 ( -3.197 -7.809 0.311) 8.444 8.547 ( -4.858 4.285 13.424) 14.906 8.748 ( -5.686 7.347 8.870) 12.845 9.233 ( -0.073 -6.085 8.492) 10.447 9.850 ( -1.809 -3.825 9.473) 10.376 10.017 ( 5.355 12.737 5.568) 14.896 10.314 ( -0.507 19.960 13.367) 24.028 10.723 ( -8.119 6.535 25.332) 27.392 10.885 ( 7.384 -9.147 7.640) 14.020 11.311 ( 1.118 12.020 10.334) 15.891 11.868 ( -3.075 11.878 -12.778) 17.715 11.976 ( -1.947 9.771 -12.012) 15.606 12.073 ( 3.797 -5.971 -17.374) 18.760 12.789 ( -7.019 -5.004 -14.982) 17.285 13.157 ( -0.790 -0.537 10.684) 10.727 13.363 ( -3.252 1.797 2.404) 4.425 13.505 ( -2.885 5.466 -0.225) 6.185 15.950 ( 10.730 -12.050 -15.201) 22.168 16.424 ( 6.841 9.952 -21.952) 25.054 17.515 ( -8.722 -5.973 18.538) 21.340 19.366 ( -9.206 -21.451 6.069) 24.119 19.868 ( -1.190 -1.853 -3.673) 4.283 20.332 ( -17.185 11.402 -7.914) 22.090 ======================= Grid point 243 (109/312) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 19.450 16.679 26.958) 37.191 2.754 ( 19.912 11.902 30.538) 38.349 3.104 ( 0.299 12.934 20.764) 24.465 4.605 ( 33.176 16.103 35.504) 51.191 4.609 ( -2.277 7.614 1.293) 8.052 5.168 ( -17.885 8.564 30.658) 36.512 5.917 ( -4.124 2.463 -40.275) 40.560 6.395 ( 14.508 -5.971 -10.630) 18.951 6.901 ( -4.661 -5.149 -2.749) 7.470 7.070 ( -2.387 -8.181 1.698) 8.690 7.225 ( -1.517 0.653 0.127) 1.657 7.822 ( 0.257 -10.612 -0.085) 10.615 8.117 ( -3.432 -8.315 4.016) 9.851 8.211 ( 5.058 -0.556 -13.413) 14.346 8.565 ( 0.062 6.258 12.670) 14.132 8.644 ( -7.926 3.615 8.905) 12.457 9.315 ( 4.231 -10.605 9.719) 14.994 9.820 ( -4.518 -4.788 7.008) 9.615 10.063 ( -7.962 10.699 5.802) 14.544 10.398 ( 7.206 18.190 11.028) 22.459 10.643 ( -5.233 8.478 15.275) 18.237 10.981 ( -0.677 -4.328 16.927) 17.484 11.384 ( 2.583 6.314 8.917) 11.228 11.765 ( -2.226 13.461 -10.143) 17.001 11.958 ( 1.230 9.058 -11.693) 14.842 12.125 ( 7.114 -4.334 -13.266) 15.665 12.571 ( -8.847 3.734 -15.266) 18.035 13.123 ( -6.269 -1.564 5.959) 8.790 13.266 ( -8.454 1.418 1.965) 8.794 13.437 ( -3.226 2.368 8.294) 9.209 16.112 ( 10.156 -10.464 -15.819) 21.514 16.529 ( 11.787 7.894 -18.529) 23.336 17.412 ( -8.522 -3.686 20.128) 22.166 19.143 ( -15.386 -21.940 7.793) 27.908 19.791 ( -2.816 5.482 -9.420) 11.257 20.089 ( -7.094 4.468 -1.466) 8.511 ======================= Grid point 244 (110/312) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 2.920 5.394 17.034) 18.105 3.245 ( 21.256 20.745 20.578) 36.133 3.326 ( 14.478 7.407 41.233) 44.324 4.413 ( -10.447 6.652 -1.134) 12.437 4.827 ( -18.025 6.031 26.340) 32.482 5.636 ( 31.207 7.234 7.444) 32.888 5.760 ( 12.349 7.972 -17.673) 22.986 6.608 ( 6.742 -11.569 -10.033) 16.732 6.743 ( -5.905 -4.884 0.100) 7.664 7.058 ( 0.456 -6.134 -1.173) 6.262 7.234 ( 3.036 2.999 0.631) 4.314 7.778 ( -4.114 -15.519 2.862) 16.308 8.061 ( -1.109 -7.148 -2.722) 7.729 8.323 ( 6.282 7.207 -9.616) 13.560 8.534 ( -3.786 -1.436 3.822) 5.568 8.599 ( -0.970 9.625 10.822) 14.515 9.415 ( 1.447 -16.536 7.434) 18.188 9.704 ( -11.049 -2.087 2.166) 11.451 9.789 ( -16.099 4.502 3.743) 17.131 10.459 ( -5.456 20.189 15.122) 25.807 10.785 ( 8.443 9.120 22.987) 26.132 11.068 ( 7.575 1.858 15.743) 17.569 11.451 ( 3.150 -2.124 -3.592) 5.228 11.727 ( 0.577 17.302 -7.108) 18.714 11.849 ( -7.487 7.700 -9.440) 14.299 12.246 ( 4.352 1.352 -6.313) 7.786 12.387 ( -2.995 8.889 -11.320) 14.701 12.967 ( -10.725 -1.191 2.041) 10.982 13.079 ( -9.352 1.415 3.431) 10.062 13.446 ( -1.008 -0.410 14.728) 14.768 16.211 ( 6.449 -4.134 -19.579) 21.024 16.750 ( 15.573 -1.339 -15.199) 21.801 17.330 ( -6.866 -0.886 22.773) 23.802 18.871 ( -13.692 -18.653 3.245) 23.365 19.733 ( 0.114 4.647 -9.997) 11.025 19.976 ( -5.150 -0.898 -0.375) 5.242 ======================= Grid point 245 (111/312) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -3.665 6.368 13.076) 14.999 3.676 ( 13.789 6.761 38.262) 41.229 3.828 ( 18.192 16.040 26.399) 35.849 4.204 ( -9.203 7.088 6.834) 13.477 4.561 ( -17.770 6.683 27.548) 33.456 5.669 ( 8.880 0.597 -36.171) 37.249 6.312 ( 6.347 -4.016 0.278) 7.516 6.485 ( -6.446 -2.884 -5.426) 8.905 6.855 ( 9.541 -10.429 -5.918) 15.324 7.091 ( 4.146 -7.812 0.108) 8.845 7.393 ( 12.303 5.086 6.610) 14.864 7.730 ( 0.577 -14.136 4.532) 14.856 8.040 ( -0.776 -8.551 -0.869) 8.630 8.324 ( -0.624 5.587 -2.836) 6.297 8.580 ( 4.478 -1.495 2.223) 5.218 8.604 ( 0.496 17.859 1.026) 17.896 9.266 ( -18.220 0.187 8.105) 19.942 9.501 ( -5.232 -8.559 -2.698) 10.388 9.624 ( -5.351 -3.861 5.176) 8.387 10.398 ( -6.040 19.875 16.513) 26.536 10.902 ( -5.168 7.170 37.258) 38.292 11.428 ( -2.342 -1.559 -12.213) 12.533 11.439 ( 21.648 4.468 3.703) 22.412 11.692 ( 0.836 3.104 -10.724) 11.195 11.776 ( 1.798 17.757 0.463) 17.854 12.066 ( -12.695 16.972 -6.988) 22.317 12.473 ( 5.348 -1.956 -2.239) 6.118 12.754 ( -9.448 0.249 0.635) 9.473 12.977 ( -3.147 2.071 5.402) 6.586 13.473 ( -2.071 -0.988 16.836) 16.991 16.246 ( 4.604 -0.232 -21.316) 21.809 16.927 ( 5.082 -8.941 -15.638) 18.717 17.360 ( 3.449 1.826 26.434) 26.721 18.655 ( -8.719 -16.397 -0.974) 18.597 19.716 ( 1.214 2.041 -9.426) 9.721 19.880 ( -4.275 -2.481 -1.320) 5.116 ======================= Grid point 246 (112/312) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( -6.596 5.068 13.950) 16.241 3.778 ( -17.796 15.677 9.670) 25.612 3.975 ( -6.168 1.085 46.553) 46.972 4.328 ( 2.755 5.938 24.111) 24.984 4.550 ( 17.598 14.328 23.941) 32.988 5.799 ( 14.684 -1.241 -28.272) 31.883 6.143 ( -22.215 0.284 -17.321) 28.171 6.254 ( -7.637 -11.661 -4.247) 14.572 6.933 ( 1.361 -14.572 -8.280) 16.816 7.173 ( 3.523 -8.232 1.055) 9.017 7.499 ( -1.555 -10.837 -5.315) 12.170 7.754 ( -6.901 -6.796 0.345) 9.691 8.163 ( 7.541 9.957 6.314) 13.995 8.358 ( 4.282 6.301 2.595) 8.048 8.616 ( -1.720 -5.631 8.114) 10.025 8.736 ( 13.181 12.875 -5.182) 19.141 9.064 ( 0.132 10.398 15.622) 18.766 9.389 ( -3.725 -6.903 -4.584) 9.085 9.564 ( -3.656 -4.550 3.796) 6.963 10.321 ( -7.740 19.677 14.086) 25.407 10.891 ( -7.824 5.984 35.362) 36.708 11.366 ( 2.232 2.894 -6.458) 7.420 11.527 ( -16.085 4.498 -7.241) 18.204 11.720 ( 4.802 12.608 -2.682) 13.755 11.921 ( 8.052 2.756 -4.353) 9.559 12.053 ( 18.440 12.086 2.292) 22.167 12.361 ( -12.223 -2.742 -4.477) 13.303 12.756 ( 5.936 2.059 3.819) 7.353 12.964 ( -0.415 4.034 4.221) 5.853 13.472 ( -4.116 -0.609 17.402) 17.893 16.252 ( 3.576 0.409 -21.574) 21.872 16.850 ( -6.120 -7.488 -12.647) 15.921 17.600 ( 9.115 -1.208 25.538) 27.143 18.545 ( -1.251 -15.258 -2.361) 15.491 19.711 ( 1.529 1.071 -8.709) 8.907 19.811 ( -1.948 -2.664 -3.394) 4.734 ======================= Grid point 247 (113/312) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -11.058 1.544 16.651) 20.048 3.426 ( -20.588 21.197 11.265) 31.624 3.783 ( -23.257 3.095 43.349) 49.291 4.600 ( 12.468 -1.116 24.439) 27.459 4.996 ( 12.559 15.691 23.722) 31.091 5.450 ( -35.064 5.155 -10.447) 36.948 6.008 ( 11.518 -3.715 -19.074) 22.590 6.201 ( 3.879 -13.227 -7.755) 15.816 6.873 ( -4.603 -15.360 -8.796) 18.289 7.238 ( 2.573 -5.055 0.967) 5.754 7.387 ( -5.494 -9.716 -11.867) 16.292 7.603 ( -6.439 -0.360 0.662) 6.483 8.170 ( -3.416 11.990 7.020) 14.308 8.395 ( -5.616 0.841 -1.853) 5.973 8.552 ( -2.692 1.144 -2.719) 3.994 8.889 ( 4.534 1.793 5.453) 7.315 9.355 ( 2.787 -6.453 0.613) 7.056 9.494 ( 2.161 2.372 6.563) 7.305 9.531 ( 23.310 11.026 10.071) 27.683 10.200 ( -8.491 20.765 10.579) 24.803 10.864 ( -7.651 4.182 35.126) 36.192 11.186 ( -13.891 8.091 -1.893) 16.187 11.438 ( 4.243 0.275 -4.556) 6.231 11.771 ( -0.802 6.079 -1.320) 6.272 11.991 ( -0.829 1.818 -1.672) 2.605 12.151 ( 2.434 -1.843 -11.206) 11.614 12.480 ( 18.846 8.069 -1.242) 20.538 12.890 ( 5.417 1.596 6.750) 8.801 12.981 ( 1.303 6.124 2.230) 6.647 13.430 ( -5.797 0.111 15.527) 16.574 16.237 ( 2.123 -1.756 -20.812) 20.994 16.652 ( -8.441 -4.311 -15.699) 18.338 17.799 ( 1.152 -3.543 26.299) 26.562 18.632 ( 10.841 -15.157 2.842) 18.851 19.727 ( 3.215 2.168 -7.931) 8.828 19.781 ( 0.536 -1.518 -5.718) 5.940 ======================= Grid point 248 (114/312) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -19.131 1.298 19.523) 27.364 3.092 ( -19.538 20.792 19.333) 34.464 3.447 ( -24.039 8.410 30.491) 39.728 4.481 ( -44.738 7.602 5.989) 45.773 4.889 ( 8.668 -3.342 19.710) 21.790 5.493 ( 13.045 20.049 29.917) 38.304 6.103 ( 6.113 -7.187 -15.540) 18.180 6.308 ( 5.554 -17.359 -10.559) 21.063 6.713 ( -5.657 -6.583 -9.989) 13.233 7.258 ( -1.538 -5.715 -2.139) 6.294 7.291 ( 0.846 -5.367 -7.081) 8.925 7.524 ( -2.005 4.168 -1.987) 5.034 8.148 ( -1.133 5.673 5.286) 7.836 8.193 ( -11.369 -3.286 -1.673) 11.952 8.491 ( -3.285 12.853 -3.338) 13.680 8.993 ( 5.200 -1.645 3.448) 6.452 9.326 ( -5.260 -5.402 0.838) 7.586 9.610 ( 9.860 0.565 13.991) 17.126 10.002 ( 13.326 11.017 3.465) 17.634 10.084 ( -5.816 21.373 9.607) 24.144 10.794 ( -9.941 4.800 32.568) 34.388 11.074 ( 0.757 1.863 3.853) 4.346 11.360 ( -14.114 5.742 0.471) 15.245 11.661 ( -0.574 -8.190 -6.444) 10.437 12.117 ( 11.164 2.469 -8.781) 14.417 12.257 ( 10.060 -0.351 -5.030) 11.253 12.717 ( 5.967 10.730 -8.983) 15.213 13.001 ( 2.617 1.240 12.615) 12.943 13.066 ( 7.394 6.417 1.232) 9.868 13.367 ( -4.431 0.699 9.704) 10.690 16.171 ( -2.865 -8.144 -19.063) 20.927 16.459 ( -3.744 2.271 -20.642) 21.101 17.831 ( -5.288 -5.915 22.654) 24.003 18.955 ( 17.737 -17.830 13.660) 28.620 19.743 ( 1.197 -0.387 -9.911) 9.991 19.851 ( 9.669 7.593 -4.097) 12.959 ======================= Grid point 249 (115/312) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -23.476 9.826 21.696) 33.442 2.657 ( -35.966 6.685 20.682) 42.024 3.132 ( -13.330 27.603 16.312) 34.723 3.798 ( -30.820 11.148 39.139) 51.049 5.048 ( 2.152 -2.672 11.173) 11.688 5.807 ( 7.312 13.052 32.370) 35.660 6.140 ( 0.327 -11.873 -19.545) 22.871 6.254 ( -0.678 -9.341 -10.576) 14.126 6.720 ( 7.193 -1.497 -5.591) 9.232 7.191 ( -3.426 -3.934 -2.486) 5.779 7.348 ( 6.230 -4.454 -3.532) 8.434 7.458 ( -4.498 2.051 -8.763) 10.061 8.008 ( -6.553 0.340 -0.226) 6.566 8.170 ( 1.999 4.445 5.439) 7.303 8.416 ( -3.825 12.351 3.132) 13.304 9.118 ( 4.890 -1.986 2.749) 5.951 9.226 ( -3.503 -5.605 -0.707) 6.647 9.857 ( 7.798 -0.952 19.140) 20.690 9.975 ( -4.307 15.057 2.412) 15.846 10.140 ( -1.258 17.123 10.588) 20.171 10.768 ( -5.289 5.741 35.553) 36.400 10.918 ( -18.314 1.907 -4.460) 18.945 11.226 ( 2.423 -4.820 1.970) 5.743 11.721 ( 7.596 1.328 -7.439) 10.715 12.193 ( 1.973 -5.093 -13.498) 14.561 12.503 ( 9.614 -4.855 -0.760) 10.797 12.708 ( 2.205 17.579 -14.907) 23.154 13.066 ( -1.711 1.957 17.830) 18.018 13.216 ( 6.606 5.020 -0.051) 8.297 13.365 ( 2.778 2.245 1.486) 3.869 16.004 ( -6.088 -11.953 -19.342) 23.538 16.383 ( 2.560 6.363 -22.588) 23.606 17.781 ( -6.875 -7.670 19.640) 22.177 19.316 ( 11.972 -24.082 14.892) 30.741 19.735 ( 2.022 1.063 -10.061) 10.317 20.145 ( 21.852 13.149 -1.115) 25.527 ======================= Grid point 250 (116/312) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -26.105 14.850 22.657) 37.620 2.080 ( -22.451 24.748 26.286) 42.514 3.023 ( -6.265 27.229 23.333) 36.402 3.514 ( -16.745 9.766 53.605) 57.002 5.054 ( -3.450 -1.367 2.984) 4.762 5.920 ( -5.608 6.054 12.746) 15.184 6.042 ( -1.750 -9.213 1.039) 9.435 6.287 ( 5.083 -1.533 -19.410) 20.123 6.848 ( 6.326 -3.163 -3.437) 7.864 7.158 ( 1.662 -1.540 -0.011) 2.266 7.297 ( -7.413 -3.139 -9.791) 12.676 7.499 ( 9.771 -1.054 -3.805) 10.539 7.942 ( -0.039 -2.591 2.321) 3.479 8.236 ( 2.299 5.139 -5.470) 7.850 8.414 ( 1.276 9.209 21.749) 23.653 9.064 ( -7.235 -0.061 -1.746) 7.443 9.274 ( 2.804 -8.028 3.224) 9.094 9.912 ( -0.278 12.642 0.287) 12.648 9.983 ( -7.155 1.108 21.487) 22.674 10.154 ( 1.833 15.793 12.859) 20.448 10.624 ( -7.467 0.808 1.276) 7.619 10.796 ( -4.867 7.343 33.916) 35.041 11.257 ( 0.743 -3.810 -2.340) 4.533 11.856 ( 7.880 6.887 -9.540) 14.161 12.146 ( -1.438 -5.405 -13.485) 14.599 12.414 ( -10.358 9.355 -9.794) 17.051 12.850 ( 9.242 -3.422 -9.020) 13.359 13.083 ( -0.856 2.051 13.192) 13.377 13.324 ( 4.366 6.655 1.186) 8.047 13.445 ( 4.366 4.193 -1.221) 6.175 15.858 ( -1.171 -12.049 -19.959) 23.343 16.375 ( 4.226 7.260 -22.696) 24.201 17.706 ( -7.279 -8.480 17.732) 20.960 19.478 ( 1.671 -21.871 6.268) 22.813 19.773 ( 4.655 -0.479 -5.300) 7.071 20.587 ( 19.732 7.428 -7.469) 22.368 ======================= Grid point 251 (117/312) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 7.714 31.145 24.934) 40.635 2.554 ( 0.056 26.468 26.188) 37.234 3.438 ( -6.368 16.414 22.172) 28.312 4.031 ( 4.206 41.185 35.144) 54.305 5.004 ( -3.691 3.497 1.758) 5.380 5.865 ( 1.879 -7.076 -4.998) 8.865 5.917 ( -8.209 1.755 20.064) 21.750 6.245 ( 1.448 -2.292 -18.163) 18.364 6.877 ( 1.925 -3.973 -6.292) 7.686 7.017 ( -4.913 -4.609 -10.624) 12.580 7.178 ( 1.465 -1.852 -4.743) 5.299 7.672 ( 7.097 1.927 -3.395) 8.100 7.807 ( -3.569 -9.432 2.920) 10.498 8.255 ( -3.031 -0.722 -4.045) 5.106 8.697 ( -3.413 8.659 15.141) 17.774 9.027 ( -4.975 12.365 6.592) 14.870 9.167 ( -0.424 -2.819 4.140) 5.027 9.844 ( -7.883 -2.137 8.228) 11.593 10.236 ( 2.621 15.445 7.104) 17.201 10.409 ( 9.795 -3.845 3.689) 11.151 10.873 ( -1.488 24.489 13.014) 27.772 10.910 ( -3.404 5.774 17.381) 18.628 11.393 ( 5.136 4.715 2.940) 7.566 11.760 ( 1.574 -16.311 -10.492) 19.458 12.023 ( -6.646 -1.080 -1.117) 6.825 12.416 ( -2.046 3.513 -3.183) 5.163 12.799 ( -3.825 2.822 -0.324) 4.764 13.131 ( -1.081 0.531 11.573) 11.636 13.526 ( -1.598 8.455 -0.283) 8.609 13.634 ( 1.889 7.031 -0.640) 7.308 15.566 ( 5.898 -15.852 -16.259) 23.461 16.525 ( 5.690 3.076 -20.020) 21.039 17.424 ( -6.244 -9.780 15.013) 18.974 19.057 ( -3.575 -20.886 7.653) 22.529 19.864 ( 3.906 3.486 -11.516) 12.651 20.701 ( -2.274 -2.569 -22.601) 22.860 ======================= Grid point 252 (118/312) ======================= q-point: ( 0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 20.873 26.632 24.164) 41.579 2.706 ( 6.024 22.533 26.600) 35.377 3.417 ( -2.902 18.955 19.584) 27.409 4.403 ( 21.582 37.241 36.487) 56.426 4.912 ( -6.424 6.869 0.404) 9.413 5.657 ( -15.623 12.241 11.767) 23.073 6.036 ( 8.134 -9.157 4.804) 13.157 6.169 ( -1.667 0.892 -27.530) 27.595 6.808 ( -2.960 -9.780 -6.527) 12.125 6.960 ( -3.320 -8.373 -1.369) 9.111 7.199 ( 2.101 -2.948 -3.792) 5.243 7.706 ( 0.379 0.739 -6.336) 6.390 7.806 ( 1.822 -15.494 3.642) 16.020 8.166 ( -5.160 -6.450 -5.390) 9.863 8.659 ( -1.805 4.981 4.096) 6.696 8.951 ( -7.761 14.818 16.006) 23.152 9.178 ( 0.319 0.885 4.668) 4.762 9.786 ( -2.402 -2.619 7.793) 8.565 10.341 ( 5.612 18.455 3.972) 19.695 10.559 ( 0.683 -4.702 3.339) 5.807 10.856 ( -2.435 6.463 22.546) 23.580 10.948 ( 0.918 20.889 6.725) 21.964 11.494 ( 3.530 4.494 5.538) 7.958 11.747 ( 0.104 -11.935 -9.468) 15.235 11.923 ( 0.461 -0.773 0.095) 0.905 12.356 ( -3.469 6.620 -5.257) 9.137 12.741 ( -1.800 5.209 -1.432) 5.694 13.141 ( -2.377 -0.740 11.176) 11.449 13.466 ( -4.438 8.011 0.863) 9.199 13.607 ( -4.696 5.299 0.842) 7.130 15.682 ( 11.178 -15.536 -15.261) 24.479 16.570 ( 5.936 2.571 -19.834) 20.862 17.363 ( -5.186 -7.535 14.797) 17.396 18.950 ( -10.063 -19.846 7.565) 23.502 19.880 ( 1.500 2.388 -11.091) 11.444 20.458 ( -12.956 2.005 -18.206) 22.435 ======================= Grid point 253 (119/312) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 7.717 16.295 20.934) 27.628 3.076 ( 20.660 19.125 26.798) 38.868 3.472 ( 2.698 23.317 18.756) 30.046 4.762 ( -9.104 8.772 1.691) 12.755 5.006 ( 20.130 19.129 21.716) 35.252 5.459 ( -2.712 21.431 21.143) 30.227 6.002 ( -4.123 6.709 -29.221) 30.263 6.221 ( 9.250 -11.048 -1.029) 14.446 6.737 ( -5.462 -11.215 -2.437) 12.710 6.871 ( -2.171 -11.452 2.847) 11.999 7.233 ( 2.924 -0.898 -4.552) 5.484 7.624 ( -6.380 -8.318 -2.702) 10.826 7.903 ( 2.038 -11.758 5.920) 13.321 8.097 ( 4.932 -9.811 -9.685) 14.642 8.653 ( -0.746 1.325 -1.309) 2.007 8.834 ( -8.725 14.254 13.828) 21.692 9.199 ( 0.226 0.446 3.249) 3.287 9.743 ( -5.313 -2.909 5.873) 8.437 10.296 ( -13.740 9.807 2.307) 17.038 10.628 ( 11.523 2.582 -1.124) 11.862 10.933 ( 1.227 2.426 18.968) 19.161 10.985 ( -0.293 24.545 12.880) 27.720 11.520 ( -2.811 5.960 7.464) 9.956 11.802 ( 8.574 -2.067 -3.683) 9.558 12.040 ( 9.246 -0.490 2.200) 9.517 12.222 ( -8.298 5.274 -7.017) 12.080 12.717 ( -0.514 12.438 -1.745) 12.571 13.093 ( -6.336 -1.311 7.794) 10.130 13.361 ( -7.828 9.179 2.727) 12.368 13.490 ( -6.446 3.118 5.760) 9.189 15.874 ( 13.321 -14.339 -14.943) 24.624 16.620 ( 5.875 -0.962 -18.755) 19.677 17.327 ( -3.527 -3.499 14.327) 15.164 18.732 ( -14.258 -19.239 6.664) 24.857 19.847 ( -0.656 1.706 -12.026) 12.164 20.164 ( -10.969 2.336 -11.615) 16.145 ======================= Grid point 254 (120/312) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 2.847 11.887 13.522) 18.228 3.522 ( 12.268 12.459 37.410) 41.295 3.718 ( 19.196 25.943 13.764) 35.086 4.574 ( -11.746 9.177 6.928) 16.438 4.987 ( -13.923 9.606 10.868) 20.105 5.724 ( 4.390 2.481 -27.671) 28.127 6.011 ( 14.228 10.983 13.710) 22.606 6.356 ( 5.157 -11.833 0.025) 12.908 6.612 ( -2.692 -8.134 0.408) 8.578 6.948 ( 7.874 -1.278 -1.269) 8.077 7.294 ( 5.268 2.092 -1.882) 5.973 7.481 ( -6.267 -14.367 0.386) 15.679 7.886 ( -2.603 -10.226 2.173) 10.774 8.279 ( 11.924 -11.362 -2.697) 16.690 8.550 ( -9.219 4.029 2.508) 10.369 8.773 ( 0.329 3.763 -1.737) 4.158 9.204 ( -0.255 -1.217 -0.520) 1.348 9.622 ( -8.030 -3.691 3.845) 9.638 9.989 ( -17.316 12.771 4.716) 22.027 10.864 ( 6.722 8.425 5.565) 12.130 11.027 ( 0.042 21.935 19.142) 29.113 11.048 ( 7.674 0.993 12.851) 15.001 11.503 ( 0.386 5.947 2.530) 6.474 11.969 ( 4.895 6.620 3.632) 8.999 12.003 ( -8.285 6.590 -9.457) 14.195 12.252 ( 10.195 -0.201 5.436) 11.556 12.669 ( -4.862 17.641 -4.406) 18.821 12.949 ( -9.904 -0.221 3.134) 10.391 13.189 ( -9.098 11.502 6.562) 16.067 13.444 ( -2.300 0.625 12.098) 12.331 16.073 ( 11.883 -10.679 -16.029) 22.631 16.667 ( 4.930 -8.290 -15.915) 18.610 17.331 ( -0.619 1.343 13.908) 13.987 18.475 ( -13.271 -19.945 3.897) 24.271 19.786 ( -0.905 0.936 -12.902) 12.967 19.959 ( -7.260 -0.903 -7.634) 10.574 ======================= Grid point 255 (121/312) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( -2.874 12.210 9.942) 16.005 3.847 ( 8.942 11.228 38.353) 40.951 4.220 ( 21.040 21.472 13.548) 32.974 4.368 ( -9.226 9.278 14.759) 19.724 4.735 ( -15.292 10.063 13.553) 22.777 5.683 ( 6.427 0.395 -32.699) 33.327 6.054 ( -7.748 -17.416 0.984) 19.087 6.457 ( -2.648 -5.746 1.167) 6.433 6.631 ( 2.070 -12.958 -3.978) 13.712 7.024 ( 1.587 4.024 -14.148) 14.794 7.321 ( -1.050 -9.452 -1.305) 9.600 7.609 ( 8.351 -5.106 8.945) 13.259 7.907 ( 11.134 -2.329 8.293) 14.077 8.438 ( -0.569 6.397 2.937) 7.062 8.457 ( 4.518 -9.434 5.312) 11.731 8.792 ( 3.791 -0.993 -10.972) 11.651 9.184 ( -0.151 -5.808 -8.628) 10.402 9.490 ( -7.696 6.250 8.882) 13.311 9.703 ( -12.709 13.469 8.552) 20.398 10.881 ( -5.257 24.915 15.822) 29.978 11.069 ( -5.017 10.005 28.874) 30.967 11.326 ( 12.982 -3.978 -2.035) 13.730 11.590 ( 9.679 6.047 -0.317) 11.417 11.763 ( -9.577 5.743 -5.553) 12.471 12.085 ( 1.874 9.346 1.952) 9.730 12.402 ( -2.102 -5.255 2.153) 6.056 12.499 ( -5.601 26.397 -2.861) 27.136 12.786 ( -5.022 3.641 1.743) 6.443 13.115 ( -1.923 13.528 10.313) 17.119 13.452 ( -2.006 -0.579 15.063) 15.207 16.203 ( 7.301 -5.604 -18.397) 20.571 16.687 ( 1.491 -15.001 -12.472) 19.566 17.415 ( 4.570 3.438 14.778) 15.846 18.267 ( -8.568 -21.352 0.681) 23.017 19.734 ( 0.220 -0.405 -12.762) 12.770 19.822 ( -4.359 -3.089 -6.935) 8.754 ======================= Grid point 256 (122/312) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( -7.518 12.195 10.204) 17.588 4.061 ( -6.404 8.667 41.845) 43.211 4.113 ( -11.732 16.343 4.919) 20.711 4.492 ( -5.351 9.293 19.643) 22.380 4.857 ( 24.261 15.585 19.396) 34.752 5.768 ( 11.182 -2.541 -24.341) 26.907 5.907 ( -5.393 -18.938 -5.228) 20.373 6.135 ( -24.873 -5.008 -10.784) 27.569 6.640 ( 0.163 -14.532 -6.176) 15.791 7.041 ( 4.425 -3.180 -7.598) 9.350 7.291 ( -2.421 -8.667 -5.976) 10.802 7.573 ( -4.722 -12.496 -1.162) 13.409 8.303 ( 12.250 -5.142 12.067) 17.947 8.475 ( -1.284 -1.525 1.449) 2.464 8.547 ( 4.744 15.156 9.052) 18.280 8.845 ( 3.637 -0.813 -4.777) 6.059 9.163 ( 3.670 -10.639 -17.990) 21.220 9.452 ( 4.357 22.841 22.436) 32.312 9.602 ( -1.585 7.423 5.002) 9.091 10.815 ( -6.978 28.704 15.018) 33.139 11.018 ( -8.728 6.341 24.329) 26.613 11.437 ( 0.062 1.433 2.466) 2.852 11.592 ( -7.531 2.627 -5.526) 9.703 11.844 ( 10.357 3.451 1.665) 11.043 12.034 ( -4.551 4.148 0.232) 6.162 12.216 ( -9.955 -1.803 -0.616) 10.136 12.510 ( 5.772 23.200 -3.126) 24.111 12.826 ( 5.471 6.424 5.873) 10.280 13.145 ( 0.730 15.070 9.761) 17.970 13.456 ( -3.313 -0.736 16.504) 16.850 16.228 ( 1.942 -4.429 -19.403) 19.997 16.630 ( -2.712 -14.386 -12.617) 19.326 17.595 ( 6.864 0.999 17.890) 19.187 18.167 ( -0.794 -21.889 -1.034) 21.928 19.715 ( 2.455 -0.928 -12.198) 12.477 19.744 ( -0.932 -3.651 -8.223) 9.045 ======================= Grid point 257 (123/312) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -11.415 12.079 12.419) 20.747 3.836 ( -21.133 16.315 10.731) 28.774 3.908 ( -15.534 13.022 32.545) 38.341 4.640 ( 8.504 4.012 22.046) 23.967 5.234 ( -6.892 7.233 4.521) 10.966 5.637 ( -4.216 11.041 2.122) 12.007 5.835 ( -0.975 -18.466 -6.303) 19.536 5.944 ( 10.568 -4.599 -13.914) 18.068 6.592 ( -2.186 -12.822 -6.624) 14.596 7.107 ( 3.003 -7.533 -7.864) 11.296 7.193 ( -2.305 -8.155 -6.122) 10.455 7.525 ( -0.031 -7.506 -3.338) 8.215 8.276 ( -9.778 -11.495 4.119) 15.643 8.497 ( -8.304 20.247 7.577) 23.158 8.627 ( 8.460 5.830 3.134) 10.741 8.878 ( 0.839 -3.836 0.761) 4.000 9.224 ( 6.607 -5.861 -9.718) 13.132 9.601 ( -0.147 9.358 4.369) 10.329 9.855 ( 23.596 19.199 16.478) 34.596 10.705 ( -8.310 29.156 9.382) 31.735 10.948 ( -6.422 3.931 24.487) 25.619 11.308 ( -12.979 2.797 -4.313) 13.960 11.493 ( 0.195 3.962 5.294) 6.616 11.751 ( -16.865 -6.165 3.451) 18.285 12.091 ( 5.342 4.015 -1.498) 6.848 12.129 ( 2.581 2.399 -0.841) 3.623 12.713 ( 14.310 14.650 -3.496) 20.775 12.958 ( 5.001 7.101 7.184) 11.272 13.199 ( 1.935 16.013 7.893) 17.958 13.432 ( -4.778 0.162 15.781) 16.489 16.144 ( -4.209 -9.233 -18.319) 20.942 16.527 ( -1.835 -8.290 -16.371) 18.442 17.715 ( -1.760 -4.917 17.089) 17.870 18.281 ( 12.154 -18.898 4.074) 22.835 19.720 ( 2.049 -2.271 -12.227) 12.604 19.770 ( 7.291 -0.202 -9.645) 12.092 ======================= Grid point 258 (124/312) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -13.473 14.635 14.795) 24.792 3.391 ( -29.149 11.693 17.007) 35.716 3.745 ( -11.610 18.946 24.517) 33.088 4.680 ( -26.955 11.645 -2.735) 29.490 4.902 ( 3.178 4.673 21.440) 22.173 5.808 ( 1.791 -16.487 -6.944) 17.979 5.862 ( 7.737 -2.974 3.434) 8.972 6.102 ( 7.708 11.369 5.355) 14.743 6.564 ( 3.059 -8.506 -6.506) 11.137 7.069 ( 0.509 -10.483 -11.093) 15.272 7.235 ( 3.812 -3.075 -0.582) 4.932 7.518 ( 0.221 -4.413 -6.105) 7.536 8.098 ( -8.509 -6.820 3.014) 11.314 8.350 ( -7.822 15.446 7.015) 18.681 8.748 ( 2.647 11.994 0.465) 12.292 8.916 ( 4.009 -6.523 -2.432) 8.033 9.271 ( -1.598 -0.007 -0.298) 1.626 9.668 ( 5.870 6.059 9.160) 12.453 10.267 ( 11.092 15.308 3.119) 19.160 10.594 ( -4.973 27.297 8.525) 29.026 10.901 ( -8.105 5.218 26.260) 27.973 11.111 ( -3.317 1.541 -0.772) 3.738 11.376 ( -20.954 -5.357 2.200) 21.739 11.557 ( 4.278 -0.855 3.229) 5.428 12.142 ( 1.567 0.546 -1.655) 2.343 12.245 ( 7.237 0.124 0.245) 7.243 12.956 ( 9.508 12.059 -3.106) 15.667 13.046 ( 1.443 4.300 10.705) 11.626 13.292 ( 5.693 16.207 4.418) 17.737 13.390 ( -3.510 1.810 11.138) 11.818 15.951 ( -8.541 -14.569 -18.004) 24.685 16.468 ( 1.876 -2.439 -19.038) 19.285 17.678 ( -6.427 -8.980 14.670) 18.362 18.591 ( 15.097 -18.322 10.115) 25.805 19.732 ( 3.607 -0.432 -13.362) 13.847 19.955 ( 15.474 2.520 -9.863) 18.523 ======================= Grid point 259 (125/312) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -14.933 20.313 14.660) 29.164 2.857 ( -29.284 13.963 18.621) 37.406 3.616 ( -10.245 18.520 23.765) 31.824 4.200 ( -21.185 29.338 15.208) 39.253 5.033 ( 1.489 1.070 13.926) 14.046 5.775 ( -0.668 -22.155 -6.310) 23.046 5.978 ( 4.498 -5.890 -1.101) 7.493 6.236 ( 2.489 14.102 8.082) 16.443 6.664 ( 7.805 -3.104 -5.660) 10.128 7.105 ( 6.158 -5.175 -7.888) 11.266 7.288 ( 2.162 -1.630 3.166) 4.166 7.446 ( -5.704 -2.336 -11.081) 12.681 7.995 ( -4.104 -1.992 4.053) 6.103 8.281 ( -0.345 7.541 4.205) 8.641 8.734 ( -4.313 18.901 3.266) 19.660 9.012 ( 5.905 -7.896 -0.575) 9.876 9.201 ( -3.861 2.685 -0.293) 4.712 9.846 ( 6.606 0.137 14.956) 16.351 10.292 ( -3.453 16.444 -3.667) 17.198 10.505 ( -10.387 13.337 6.558) 18.132 10.886 ( -2.394 4.529 24.403) 24.935 11.011 ( -14.475 9.184 4.786) 17.799 11.157 ( 4.625 0.559 1.880) 5.023 11.667 ( 6.003 -6.313 -0.549) 8.729 12.141 ( -1.140 -0.312 -0.619) 1.334 12.382 ( 6.314 -6.580 -1.079) 9.183 12.984 ( -3.424 9.999 1.099) 10.626 13.119 ( -1.059 3.427 14.204) 14.650 13.409 ( 6.406 11.418 -1.995) 13.243 13.437 ( 5.098 7.970 4.291) 10.388 15.728 ( -7.267 -16.389 -18.234) 25.572 16.462 ( 4.113 0.394 -19.730) 20.158 17.591 ( -7.301 -10.180 14.622) 19.255 18.876 ( 9.949 -20.809 10.498) 25.342 19.766 ( 4.667 2.181 -13.729) 14.664 20.292 ( 21.922 2.370 -11.909) 25.060 ======================= Grid point 260 (126/312) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -16.583 26.531 16.971) 35.594 2.551 ( -9.869 23.709 24.944) 35.800 3.509 ( -9.012 16.197 24.099) 30.402 3.980 ( -9.366 38.841 27.890) 48.725 5.051 ( -2.319 0.828 5.675) 6.186 5.786 ( 2.740 -17.355 1.392) 17.625 6.018 ( -1.780 -0.307 3.043) 3.539 6.261 ( 0.317 2.659 -3.807) 4.655 6.790 ( 7.268 -2.189 -6.868) 10.236 7.170 ( 1.996 0.108 -6.880) 7.165 7.225 ( -9.957 -2.086 -12.530) 16.140 7.451 ( 11.699 -1.449 5.745) 13.113 7.908 ( -5.808 -1.488 0.492) 6.016 8.315 ( -0.052 3.281 -2.261) 3.985 8.674 ( -2.637 16.780 15.598) 23.062 9.097 ( -0.414 -1.822 1.006) 2.122 9.146 ( -0.190 1.129 1.148) 1.622 9.969 ( -2.663 -0.141 15.696) 15.921 10.206 ( -3.762 7.309 1.917) 8.441 10.316 ( -3.762 5.274 -0.740) 6.520 10.856 ( -2.741 19.618 6.826) 20.952 10.927 ( -4.429 6.540 25.907) 27.085 11.275 ( 6.345 5.248 0.511) 8.250 11.751 ( 3.100 -13.334 -5.629) 14.801 12.106 ( -2.225 0.556 -0.618) 2.375 12.450 ( 0.762 -6.329 -2.257) 6.762 12.892 ( -5.728 7.317 1.325) 9.387 13.119 ( -2.216 1.973 12.506) 12.853 13.521 ( 2.257 9.821 0.733) 10.104 13.547 ( 7.034 8.468 -1.961) 11.182 15.578 ( -1.360 -16.285 -17.499) 23.943 16.487 ( 5.188 2.072 -19.928) 20.696 17.502 ( -6.994 -10.461 14.944) 19.537 19.035 ( 3.066 -21.703 8.733) 23.594 19.816 ( 4.992 3.785 -12.867) 14.311 20.635 ( 15.925 -2.081 -18.518) 24.513 ======================= Grid point 261 (127/312) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 7.451 33.357 19.092) 39.150 3.040 ( -0.261 23.885 19.971) 31.135 3.723 ( -4.518 13.687 27.231) 30.810 4.804 ( 7.509 32.151 7.318) 33.818 5.060 ( 0.091 1.147 4.290) 4.441 5.550 ( 6.326 -17.995 14.023) 23.675 5.905 ( 1.019 -9.539 -5.857) 11.240 6.284 ( -3.436 4.777 -0.149) 5.887 6.774 ( -3.771 -3.462 -3.217) 6.046 6.986 ( -5.278 1.383 -14.543) 15.533 7.175 ( -1.276 0.781 -11.922) 12.016 7.565 ( -2.674 -9.445 11.347) 15.004 7.903 ( -1.107 17.394 -4.900) 18.105 8.263 ( -7.965 2.588 -8.320) 11.805 8.834 ( -6.805 4.067 -2.064) 8.192 9.165 ( 5.444 3.774 4.099) 7.790 9.364 ( -3.143 20.714 14.596) 25.535 9.773 ( -7.155 -5.795 3.416) 9.821 10.224 ( 11.173 -7.501 10.954) 17.352 10.604 ( 0.726 13.668 0.255) 13.690 10.922 ( -1.799 -3.806 8.941) 9.882 11.116 ( 3.722 -11.043 -9.741) 15.189 11.400 ( -0.944 -3.378 -0.373) 3.527 11.590 ( 0.902 5.818 12.611) 13.918 12.114 ( -6.072 9.587 20.439) 23.378 12.316 ( -1.387 -7.234 3.954) 8.360 12.997 ( -4.735 14.455 9.341) 17.850 13.161 ( -2.282 3.223 11.852) 12.493 13.628 ( -0.691 2.339 0.153) 2.443 13.845 ( -1.277 14.610 2.562) 14.888 15.240 ( 5.345 -16.872 -13.607) 22.325 16.373 ( 2.090 -20.155 -4.627) 20.785 17.375 ( -1.874 6.500 1.432) 6.915 18.675 ( -1.486 -18.717 2.231) 18.908 19.961 ( 4.394 6.210 -17.882) 19.433 20.600 ( 1.347 -7.197 -26.128) 27.134 ======================= Grid point 262 (128/312) ======================= q-point: ( 0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 12.495 26.745 18.238) 34.699 3.136 ( 4.780 22.352 20.000) 30.372 3.785 ( 2.041 19.051 24.012) 30.719 5.039 ( -2.760 5.951 5.316) 8.444 5.058 ( 12.673 24.820 9.705) 29.509 5.741 ( 8.023 -14.045 9.817) 18.921 5.852 ( -3.992 -3.133 -1.789) 5.381 6.266 ( 1.977 9.038 1.021) 9.308 6.630 ( -8.160 -5.214 -6.151) 11.472 6.804 ( -9.143 -5.454 -7.819) 13.209 7.143 ( 1.259 -3.050 -8.802) 9.400 7.541 ( -0.958 -9.811 6.528) 11.823 7.819 ( -5.172 9.575 -7.791) 13.384 8.072 ( -8.259 -1.842 -10.327) 13.351 8.716 ( -3.386 1.770 -4.589) 5.972 9.228 ( -3.032 7.095 2.648) 8.158 9.318 ( -3.617 17.165 13.039) 21.857 9.752 ( 0.630 -0.480 7.625) 7.666 10.350 ( -2.966 -13.876 3.033) 14.510 10.656 ( 2.812 11.087 0.184) 11.440 10.926 ( 0.821 -0.610 15.087) 15.121 11.158 ( 6.494 -6.722 -11.468) 14.794 11.504 ( 10.469 -6.275 -2.279) 12.417 11.648 ( 1.095 12.789 14.625) 19.458 12.086 ( -3.876 13.275 22.915) 26.765 12.283 ( -3.524 -7.263 4.541) 9.262 12.971 ( -1.580 13.837 9.208) 16.696 13.149 ( -3.292 2.558 10.504) 11.301 13.589 ( -3.127 4.088 1.097) 5.263 13.791 ( -5.259 14.892 2.849) 16.049 15.351 ( 10.593 -18.041 -13.723) 25.020 16.392 ( 1.145 -21.755 -3.324) 22.037 17.354 ( -0.387 7.882 -0.314) 7.898 18.595 ( -7.420 -17.083 1.701) 18.703 19.954 ( 1.021 5.108 -17.014) 17.794 20.436 ( -8.215 -3.536 -23.746) 25.374 ======================= Grid point 263 (129/312) ======================= q-point: ( 0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( 4.064 17.895 13.580) 22.829 3.455 ( 12.867 19.007 24.456) 33.540 3.959 ( 8.563 26.023 16.730) 32.100 4.929 ( -9.390 7.915 9.085) 15.276 5.278 ( 2.190 9.226 -0.313) 9.488 5.756 ( -1.374 0.978 -5.481) 5.735 5.959 ( 9.715 -10.045 10.106) 17.246 6.273 ( -6.520 13.727 -5.539) 16.175 6.491 ( -3.574 -13.425 -4.551) 14.619 6.711 ( 6.728 -0.760 11.186) 13.075 7.157 ( 2.607 -5.686 -5.940) 8.626 7.510 ( -6.249 -4.122 -2.995) 8.063 7.732 ( -1.348 -4.382 0.594) 4.623 7.926 ( 0.251 -5.241 -12.634) 13.681 8.661 ( -1.571 0.402 -3.774) 4.108 9.059 ( -12.075 8.049 0.453) 14.519 9.320 ( -1.513 8.215 0.100) 8.354 9.741 ( -6.087 4.867 8.842) 11.787 10.246 ( -4.676 -14.453 -0.272) 15.193 10.693 ( 3.913 4.353 -3.005) 6.580 11.018 ( 1.315 4.127 18.569) 19.067 11.336 ( 11.664 4.061 -1.581) 12.452 11.636 ( 0.936 7.614 9.625) 12.308 11.818 ( 12.449 6.953 5.206) 15.180 12.117 ( -1.542 5.861 20.259) 21.146 12.215 ( -4.538 -0.902 7.323) 8.663 12.982 ( -0.726 11.942 8.245) 14.530 13.090 ( -6.093 2.080 7.372) 9.787 13.536 ( -2.824 6.950 4.221) 8.608 13.671 ( -7.730 18.577 3.944) 20.504 15.547 ( 14.100 -19.118 -14.056) 27.603 16.394 ( 0.218 -22.481 -2.830) 22.659 17.358 ( 1.154 7.237 -1.994) 7.595 18.404 ( -12.321 -14.842 0.827) 19.307 19.890 ( -1.556 3.026 -16.311) 16.662 20.174 ( -10.220 -1.106 -19.175) 21.757 ======================= Grid point 264 (130/312) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( 2.711 15.984 9.333) 18.706 3.784 ( 11.382 13.461 30.743) 35.439 4.229 ( 14.892 26.200 10.062) 31.772 4.751 ( -12.784 8.550 14.419) 21.082 5.157 ( -10.388 6.937 -5.077) 13.484 5.686 ( -2.712 -8.469 -14.493) 17.003 6.041 ( -11.952 -0.957 -7.641) 14.218 6.187 ( 7.939 -8.909 9.306) 15.132 6.416 ( -2.179 -11.700 -2.224) 12.108 7.114 ( 20.915 9.264 11.972) 25.818 7.202 ( 3.397 -12.409 3.934) 13.454 7.316 ( -7.656 2.379 -17.561) 19.304 7.692 ( -1.849 -8.237 5.519) 10.086 8.050 ( 12.842 -7.837 -6.155) 16.255 8.603 ( -3.944 0.626 -1.204) 4.171 8.851 ( -5.485 7.617 -7.507) 12.019 9.209 ( -8.366 -3.477 -7.631) 11.845 9.652 ( -3.382 7.967 7.138) 11.219 10.169 ( -6.109 2.945 6.938) 9.702 10.829 ( 10.259 -3.165 0.001) 10.736 11.110 ( 1.205 3.511 21.238) 21.560 11.507 ( 5.169 11.859 2.784) 13.233 11.664 ( -1.965 16.309 14.952) 22.213 12.026 ( -0.021 -2.341 -4.021) 4.653 12.077 ( 0.772 5.253 11.190) 12.386 12.257 ( 2.050 0.412 17.222) 17.349 12.975 ( -6.896 3.104 4.577) 8.840 12.982 ( -1.942 12.286 5.240) 13.498 13.515 ( -1.720 9.445 8.331) 12.711 13.550 ( -5.628 24.836 6.887) 26.381 15.780 ( 14.180 -19.280 -14.162) 27.810 16.382 ( -0.370 -21.897 -3.532) 22.183 17.389 ( 3.019 4.827 -2.305) 6.142 18.147 ( -13.587 -13.443 -0.244) 19.114 19.795 ( -2.230 0.662 -15.738) 15.909 19.937 ( -7.812 -1.356 -15.835) 17.709 ======================= Grid point 265 (131/312) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.403 ( -1.538 16.446 7.061) 17.964 4.093 ( 9.153 12.786 32.271) 35.898 4.546 ( -12.858 8.445 18.931) 24.393 4.620 ( 21.315 19.235 8.424) 29.921 4.899 ( -14.365 6.164 -2.525) 15.834 5.595 ( -1.808 -12.354 -9.505) 15.692 5.809 ( -7.267 -4.018 -13.398) 15.763 6.282 ( -2.587 -10.012 3.658) 10.969 6.355 ( -2.767 -14.203 -5.530) 15.491 7.096 ( -5.129 -2.085 -11.024) 12.337 7.268 ( 4.982 3.028 -12.868) 14.127 7.339 ( -4.604 -16.382 2.464) 17.194 7.860 ( 11.929 -6.372 14.641) 19.931 8.312 ( 14.465 -1.847 -1.935) 14.710 8.573 ( 4.531 2.569 -0.153) 5.211 8.845 ( 7.035 11.864 -5.727) 14.935 9.002 ( -7.956 -10.557 -12.146) 17.952 9.668 ( 2.108 10.180 6.507) 12.265 10.040 ( -10.414 17.202 15.934) 25.656 11.025 ( 6.111 -4.530 7.245) 10.505 11.204 ( 1.172 1.060 20.622) 20.683 11.562 ( -1.169 18.077 4.879) 18.760 11.660 ( -4.216 5.462 16.989) 18.337 11.921 ( -2.690 9.526 -1.238) 9.975 12.154 ( -1.040 0.412 2.594) 2.825 12.274 ( -5.762 -6.730 9.647) 13.098 12.883 ( -4.083 6.632 2.626) 8.219 12.987 ( 2.760 17.239 5.831) 18.407 13.509 ( -2.945 15.310 14.961) 21.607 13.523 ( -0.278 23.317 6.629) 24.243 15.964 ( 8.766 -19.512 -14.293) 25.726 16.358 ( -0.413 -19.733 -5.545) 20.501 17.471 ( 6.250 1.911 -0.027) 6.535 17.906 ( -10.335 -13.921 -1.603) 17.412 19.709 ( -1.052 -1.521 -14.612) 14.729 19.771 ( -3.671 -2.080 -15.415) 15.982 ======================= Grid point 266 (132/312) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( -6.578 17.561 7.209) 20.090 4.290 ( -7.396 14.467 32.586) 36.412 4.399 ( -3.737 11.309 11.329) 16.438 4.622 ( -10.409 3.919 6.413) 12.839 5.106 ( 22.353 9.164 9.823) 26.079 5.508 ( -6.378 -18.029 0.178) 19.125 5.738 ( 6.663 -3.169 -19.120) 20.495 6.026 ( -17.506 -3.657 -7.216) 19.285 6.351 ( 1.589 -15.569 -6.073) 16.787 7.017 ( -1.225 -2.995 -9.853) 10.371 7.197 ( -5.106 -7.096 -7.872) 11.764 7.322 ( 3.547 -4.100 -5.949) 8.048 8.028 ( 1.190 -15.590 11.266) 19.271 8.518 ( 8.893 2.861 -0.157) 9.343 8.724 ( 2.152 -2.780 -1.053) 3.670 8.897 ( 8.477 -14.047 -25.363) 30.207 9.057 ( 9.538 24.354 9.759) 27.916 9.752 ( 2.918 9.893 6.685) 12.291 9.959 ( -0.613 23.897 23.967) 33.850 11.063 ( -5.155 -0.696 14.114) 15.042 11.270 ( -1.124 6.104 11.482) 13.052 11.483 ( -8.627 11.023 10.548) 17.527 11.610 ( -6.479 -0.540 14.047) 15.479 11.923 ( -10.221 -1.868 1.728) 10.533 12.025 ( 0.798 3.247 1.767) 3.782 12.227 ( -0.913 3.328 2.712) 4.389 12.849 ( 1.041 9.637 0.016) 9.693 13.116 ( 6.214 17.386 8.955) 20.520 13.489 ( -4.420 10.536 14.053) 18.111 13.561 ( 0.923 26.555 9.986) 28.386 15.993 ( -0.890 -20.498 -14.605) 25.184 16.331 ( 0.107 -16.803 -8.058) 18.636 17.624 ( 5.808 1.229 5.354) 7.995 17.767 ( -0.181 -16.947 -4.358) 17.500 19.669 ( 1.922 -2.764 -12.717) 13.155 19.694 ( 1.618 -1.977 -17.654) 17.838 ======================= Grid point 267 (133/312) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( -9.176 19.068 8.822) 22.926 4.066 ( -21.785 11.397 20.697) 32.138 4.249 ( -11.449 16.709 9.104) 22.207 4.717 ( 7.700 3.348 19.494) 21.226 5.283 ( -8.765 -3.825 -8.989) 13.125 5.448 ( 0.233 -15.668 -4.431) 16.284 5.684 ( -6.219 -4.050 -2.329) 7.779 6.028 ( 21.641 7.128 3.388) 23.035 6.363 ( 2.322 -11.166 -5.986) 12.881 6.924 ( -3.826 -11.719 -8.679) 15.076 7.155 ( 3.043 3.882 -11.365) 12.389 7.367 ( 2.777 -5.685 -3.888) 7.426 8.018 ( -4.476 -13.060 7.017) 15.486 8.666 ( 1.357 -4.131 -2.479) 5.005 8.736 ( 9.310 -0.241 -3.282) 9.874 8.983 ( -2.671 10.835 -7.676) 13.545 9.177 ( 5.949 10.758 4.546) 13.107 9.812 ( 1.297 11.263 6.623) 13.130 10.229 ( 16.427 18.254 19.422) 31.309 10.972 ( -6.904 -0.241 9.434) 11.693 11.237 ( -7.290 19.290 15.543) 25.823 11.297 ( -12.365 -3.042 0.678) 12.752 11.517 ( -10.453 -1.585 15.416) 18.693 11.618 ( -13.296 -6.042 7.149) 16.260 12.131 ( 3.018 3.410 4.085) 6.117 12.252 ( 2.401 7.017 1.818) 7.636 12.938 ( 7.569 8.939 2.003) 11.884 13.249 ( 4.080 17.992 7.012) 19.736 13.434 ( -6.010 5.529 15.544) 17.559 13.616 ( 1.373 25.092 8.950) 26.676 15.846 ( -8.172 -20.832 -15.681) 27.325 16.310 ( 0.794 -15.656 -8.958) 18.055 17.608 ( -3.910 -5.494 1.896) 7.005 17.965 ( 15.109 -12.463 1.561) 19.648 19.679 ( 4.360 -1.592 -16.415) 17.058 19.747 ( 9.665 -1.998 -15.429) 18.315 ======================= Grid point 268 (134/312) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( -8.627 21.962 10.380) 25.777 3.644 ( -26.380 15.072 12.401) 32.815 4.069 ( -12.633 13.128 19.052) 26.361 4.882 ( 0.471 7.834 5.567) 9.622 5.053 ( -6.387 10.117 2.796) 12.287 5.357 ( -3.946 -23.443 -8.865) 25.371 5.680 ( 2.878 -11.586 -0.069) 11.938 6.386 ( 5.091 -9.563 -5.471) 12.137 6.512 ( 16.263 16.689 11.844) 26.140 6.880 ( 4.257 -8.283 -5.080) 10.609 7.194 ( 4.410 1.525 -11.814) 12.702 7.400 ( 1.877 -6.107 -3.784) 7.426 7.949 ( -3.644 -7.253 6.495) 10.395 8.684 ( -0.196 3.599 0.841) 3.701 8.763 ( -7.413 5.589 -8.862) 12.834 8.973 ( 9.206 9.417 4.671) 13.973 9.308 ( 3.715 4.946 -1.032) 6.271 9.837 ( -0.400 10.234 5.629) 11.687 10.551 ( 8.934 12.614 4.784) 16.181 10.900 ( -3.161 0.968 7.000) 7.741 10.962 ( -20.570 -0.829 8.508) 22.276 11.129 ( -9.353 -1.442 7.184) 11.881 11.354 ( -4.142 7.072 12.141) 14.648 11.549 ( -2.932 -0.301 14.193) 14.496 12.164 ( -0.908 2.737 6.934) 7.509 12.294 ( 0.810 4.486 2.979) 5.446 13.112 ( 6.864 6.325 7.915) 12.238 13.277 ( -3.900 18.287 5.208) 19.410 13.413 ( 0.055 1.096 13.267) 13.312 13.679 ( 2.710 22.607 6.079) 23.566 15.605 ( -10.146 -20.503 -16.497) 28.204 16.305 ( 1.727 -15.853 -8.575) 18.106 17.540 ( -3.761 -3.423 1.871) 5.418 18.263 ( 13.875 -15.280 2.924) 20.846 19.733 ( 7.054 0.645 -17.912) 19.261 19.955 ( 17.048 -2.054 -16.231) 23.628 ======================= Grid point 269 (135/312) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -8.936 26.083 9.868) 29.284 3.194 ( -21.613 20.264 14.706) 33.076 3.894 ( -12.478 10.999 24.414) 29.542 4.779 ( -5.276 26.870 -2.368) 27.486 5.059 ( -1.847 -0.438 8.643) 8.849 5.312 ( 1.820 -22.850 1.965) 23.006 5.763 ( 5.800 -13.423 -3.363) 15.004 6.421 ( -0.255 -3.169 -2.052) 3.785 6.697 ( 5.593 5.565 -5.921) 9.864 7.091 ( 11.012 8.031 0.750) 13.651 7.234 ( 3.500 -3.424 0.339) 4.908 7.397 ( -1.259 -3.311 -6.241) 7.176 7.964 ( 1.752 0.358 10.235) 10.390 8.496 ( -9.245 14.937 -4.323) 18.091 8.821 ( 7.934 -8.406 -3.291) 12.019 9.143 ( 3.834 18.206 4.468) 19.134 9.271 ( -4.050 4.851 -2.615) 6.839 9.872 ( 2.164 2.672 7.415) 8.173 10.477 ( -19.431 -4.181 -4.562) 20.392 10.648 ( -5.692 10.944 1.642) 12.445 10.892 ( -1.880 -4.176 8.483) 9.641 11.067 ( -1.317 -2.168 11.135) 11.420 11.402 ( 2.873 12.350 13.359) 18.419 11.540 ( -2.672 -3.145 8.427) 9.383 12.161 ( -2.358 1.814 11.856) 12.224 12.311 ( -0.188 0.645 4.191) 4.245 13.191 ( -6.259 13.621 9.593) 17.797 13.196 ( -2.494 4.698 12.673) 13.744 13.503 ( 5.478 3.361 3.040) 7.109 13.760 ( 3.520 19.043 3.786) 19.733 15.376 ( -7.083 -19.116 -15.997) 25.913 16.318 ( 2.457 -16.786 -7.587) 18.584 17.475 ( -3.680 0.163 2.400) 4.397 18.500 ( 9.363 -18.035 2.751) 20.506 19.821 ( 8.121 3.467 -18.540) 20.535 20.266 ( 19.959 -4.259 -19.336) 28.114 ======================= Grid point 270 (136/312) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -9.221 31.362 13.380) 35.321 3.018 ( -5.044 24.200 19.496) 31.483 3.767 ( -9.377 11.493 27.233) 31.010 4.721 ( -0.339 32.200 2.828) 32.326 5.043 ( -0.583 -4.162 3.680) 5.587 5.406 ( 4.290 -17.761 11.794) 21.747 5.859 ( 5.318 -13.251 -6.319) 15.614 6.367 ( -4.186 1.248 -0.479) 4.395 6.779 ( 4.355 1.825 -6.834) 8.307 7.109 ( -2.133 -0.498 -13.659) 13.834 7.278 ( -4.097 3.351 -11.876) 13.002 7.457 ( 7.967 -1.018 18.096) 19.798 7.968 ( -4.550 12.201 2.367) 13.235 8.392 ( -2.248 5.384 -4.882) 7.608 8.942 ( 0.724 0.699 -2.950) 3.117 9.063 ( -2.091 9.551 5.564) 11.250 9.324 ( 3.687 14.032 4.603) 15.221 9.963 ( 0.155 -0.563 11.315) 11.330 10.073 ( -13.226 -11.426 -1.143) 17.515 10.604 ( -0.366 15.593 -1.668) 15.687 10.899 ( 0.131 -5.609 7.335) 9.234 11.086 ( 0.419 -5.594 3.249) 6.483 11.472 ( -3.257 4.977 0.738) 5.993 11.518 ( 0.939 -0.650 14.477) 14.522 12.152 ( -3.976 3.717 17.006) 17.856 12.318 ( -0.482 -3.842 3.918) 5.509 13.087 ( -7.234 13.859 9.449) 18.267 13.172 ( -3.475 3.733 12.741) 13.724 13.602 ( 3.388 2.196 0.583) 4.080 13.827 ( 1.993 16.337 2.708) 16.679 15.244 ( -0.957 -17.275 -14.525) 22.590 16.345 ( 2.604 -18.316 -6.195) 19.510 17.416 ( -3.071 3.689 2.390) 5.362 18.640 ( 4.114 -19.145 2.487) 19.740 19.909 ( 7.114 5.648 -18.510) 20.619 20.536 ( 13.838 -7.405 -23.879) 28.575 ======================= Grid point 271 (137/312) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( 4.217 28.362 13.380) 31.642 3.470 ( -1.237 19.203 13.696) 23.619 3.964 ( 1.244 11.287 26.080) 28.445 4.806 ( 9.866 -22.986 9.750) 26.847 5.234 ( 1.050 5.734 7.117) 9.199 5.477 ( 5.162 15.768 3.779) 17.016 5.642 ( 2.973 -15.202 -1.572) 15.569 6.180 ( 0.169 -14.328 -2.672) 14.576 6.843 ( -3.423 7.572 -3.380) 8.971 7.062 ( -7.292 3.062 -16.712) 18.489 7.187 ( -4.005 1.845 -6.513) 7.865 7.408 ( -1.688 -6.401 3.713) 7.590 8.322 ( -12.188 15.779 0.893) 19.958 8.403 ( -7.649 15.685 -17.510) 24.721 8.885 ( -3.477 5.724 -3.314) 7.472 9.301 ( 6.792 9.377 1.665) 11.698 9.606 ( -4.201 -10.790 2.156) 11.778 9.786 ( -5.904 18.300 10.027) 21.686 10.038 ( 10.224 -11.833 5.476) 16.569 10.602 ( 5.872 -16.468 2.281) 17.631 10.807 ( -6.031 -3.542 -1.207) 7.098 10.873 ( -0.246 -7.573 3.962) 8.550 11.386 ( 1.102 4.690 1.336) 5.000 11.667 ( 4.915 -1.813 7.865) 9.450 12.216 ( -4.069 1.345 26.274) 26.621 12.287 ( -6.011 2.108 27.855) 28.574 13.194 ( -5.174 5.175 10.281) 12.620 13.315 ( -4.276 6.111 8.030) 10.959 13.760 ( 1.628 16.407 1.147) 16.528 14.147 ( -0.628 13.304 2.449) 13.542 14.966 ( 2.883 -7.619 -8.185) 11.548 15.820 ( -1.203 -33.725 5.265) 34.155 17.615 ( 0.932 16.082 -6.148) 17.242 18.315 ( 0.288 -18.423 -2.812) 18.639 20.100 ( 4.990 7.943 -22.934) 24.778 20.440 ( 3.739 -8.867 -27.288) 28.935 ======================= Grid point 272 (138/312) ======================= q-point: ( 0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( 1.202 17.066 11.861) 20.818 3.585 ( 5.869 18.125 15.526) 24.577 4.171 ( 10.644 21.276 23.207) 33.234 5.041 ( 8.246 -11.172 6.185) 15.201 5.265 ( 0.137 -0.551 9.587) 9.603 5.624 ( 7.875 9.702 8.193) 14.942 5.660 ( -1.249 -14.338 0.708) 14.409 6.194 ( 1.951 -13.598 -0.998) 13.773 6.746 ( -4.305 5.430 -3.490) 7.758 6.783 ( -14.993 4.452 -14.761) 21.506 7.116 ( -0.477 2.510 -5.802) 6.340 7.405 ( 0.190 -6.114 4.451) 7.565 8.026 ( -14.315 10.001 -6.234) 18.542 8.145 ( -11.097 7.612 -21.164) 25.080 8.802 ( -3.466 10.701 -3.350) 11.737 9.348 ( -3.804 4.858 -1.639) 6.384 9.555 ( -8.306 3.481 -0.836) 9.045 9.750 ( 6.577 -7.402 9.366) 13.630 10.115 ( -7.257 -0.529 5.853) 9.338 10.668 ( -3.931 -10.234 -2.615) 11.270 10.853 ( 14.021 -4.128 12.419) 19.180 10.964 ( 9.980 -8.810 -0.204) 13.313 11.524 ( 11.103 7.804 1.717) 13.679 11.808 ( 6.790 0.266 5.520) 8.754 12.214 ( -5.418 1.495 26.560) 27.148 12.278 ( -5.505 4.517 32.732) 33.498 13.133 ( -4.500 4.073 9.397) 11.187 13.256 ( -4.785 2.584 6.801) 8.708 13.792 ( 1.489 20.216 1.599) 20.334 14.130 ( -1.883 17.285 3.081) 17.658 15.028 ( 6.690 -11.993 -9.461) 16.676 15.815 ( -1.302 -34.711 5.950) 35.241 17.602 ( 0.082 15.762 -7.254) 17.352 18.266 ( -4.292 -17.005 -3.468) 17.878 20.072 ( 0.083 6.762 -21.930) 22.949 20.339 ( -4.271 -6.112 -25.835) 26.890 ======================= Grid point 273 (139/312) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 2.986 15.876 9.551) 18.766 3.764 ( 6.980 10.856 18.960) 22.936 4.469 ( 12.136 25.828 14.208) 31.879 5.063 ( -7.102 6.070 10.440) 14.010 5.319 ( 0.838 -7.706 -0.856) 7.798 5.591 ( -5.918 -11.715 2.361) 13.335 5.825 ( 8.464 -2.109 9.917) 13.207 6.216 ( -0.403 -14.160 -4.787) 14.953 6.423 ( -14.958 5.793 -13.689) 21.087 6.730 ( 2.755 -5.145 6.877) 9.020 7.129 ( 2.616 4.159 -1.214) 5.061 7.428 ( -0.265 -6.905 2.547) 7.365 7.787 ( -6.758 10.564 -9.890) 15.972 7.921 ( -1.509 2.768 -21.681) 21.909 8.725 ( -3.801 8.111 -2.132) 9.208 9.154 ( -11.408 0.116 -6.677) 13.218 9.397 ( -8.781 2.027 -4.372) 10.017 9.861 ( -5.101 -17.985 -2.459) 18.855 10.004 ( 4.294 15.501 12.852) 20.589 10.656 ( 1.904 -9.243 1.925) 9.631 11.078 ( 5.923 2.797 14.806) 16.191 11.270 ( 16.543 -6.446 2.675) 17.955 11.762 ( 10.408 6.475 6.312) 13.787 11.942 ( 4.871 0.488 2.617) 5.551 12.194 ( -5.890 5.955 29.332) 30.505 12.288 ( -4.857 3.605 30.427) 31.022 13.082 ( -3.985 2.243 8.274) 9.453 13.174 ( -5.571 1.029 5.796) 8.105 13.836 ( 2.357 24.491 2.857) 24.770 14.106 ( -1.515 23.680 4.076) 24.076 15.164 ( 10.757 -17.760 -10.796) 23.402 15.813 ( -0.887 -34.899 5.835) 35.395 17.569 ( -0.666 13.274 -8.765) 15.920 18.127 ( -8.394 -14.156 -4.688) 17.113 19.965 ( -3.274 4.474 -20.672) 21.402 20.130 ( -7.892 -3.222 -22.980) 24.510 ======================= Grid point 274 (140/312) ======================= q-point: ( 0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.682 ( 3.071 16.185 7.749) 18.205 3.990 ( 9.158 5.610 21.234) 23.796 4.713 ( 8.470 21.444 7.836) 24.352 4.919 ( -10.284 11.235 15.342) 21.619 5.225 ( -8.603 -2.284 -6.294) 10.902 5.465 ( -7.350 -10.177 2.475) 12.795 5.953 ( 0.961 -10.165 -4.475) 11.148 6.048 ( -9.418 -7.011 -10.992) 16.084 6.268 ( 0.007 2.110 -1.177) 2.416 6.832 ( 2.441 -21.041 8.438) 22.801 7.154 ( -2.153 1.320 3.304) 4.159 7.393 ( -1.751 -5.727 -4.434) 7.452 7.734 ( 5.842 13.031 -14.031) 20.020 7.996 ( 14.189 -0.348 -14.792) 20.501 8.629 ( -5.584 3.589 -0.002) 6.638 8.943 ( -7.682 -5.505 -10.011) 13.767 9.205 ( -5.879 11.304 -2.072) 12.909 9.774 ( -0.960 -3.083 -0.627) 3.289 10.185 ( 6.705 6.680 12.243) 15.475 10.738 ( 4.832 -9.398 6.578) 12.448 11.206 ( 1.592 7.856 17.770) 19.494 11.529 ( 7.963 -4.328 5.949) 10.842 11.908 ( -0.581 3.509 12.117) 12.628 12.001 ( 1.139 -0.577 5.748) 5.888 12.202 ( -2.112 7.701 19.294) 20.881 12.279 ( -6.177 2.240 24.816) 25.672 13.031 ( -3.767 2.522 6.789) 8.163 13.104 ( -3.227 0.711 7.351) 8.060 13.898 ( 2.303 28.460 5.377) 29.055 14.113 ( 1.051 30.444 4.128) 30.741 15.351 ( 11.447 -22.805 -10.919) 27.755 15.825 ( 0.471 -33.769 4.320) 34.048 17.525 ( -0.260 8.921 -9.776) 13.237 17.924 ( -10.096 -10.427 -5.811) 15.634 19.822 ( -3.995 1.993 -19.555) 20.058 19.906 ( -7.021 -1.822 -20.649) 21.886 ======================= Grid point 275 (141/312) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( -0.049 17.726 6.685) 18.945 4.246 ( 9.126 -0.602 20.717) 22.646 4.689 ( -11.684 8.508 19.116) 23.965 4.973 ( 4.283 13.753 2.306) 14.588 5.006 ( -5.384 6.927 -3.036) 9.284 5.338 ( -6.874 -10.978 3.945) 13.540 5.767 ( -6.766 -2.519 -18.308) 19.680 6.017 ( 1.964 -15.487 -5.631) 16.595 6.232 ( -5.292 2.098 -2.257) 6.123 6.842 ( -3.520 -25.425 2.782) 25.818 7.099 ( -1.869 3.807 0.842) 4.324 7.372 ( 1.720 -3.484 -6.812) 7.842 7.831 ( 6.258 7.771 -12.188) 15.751 8.276 ( 17.830 -5.131 -16.510) 24.836 8.561 ( 0.740 -0.670 -1.276) 1.621 8.745 ( -8.938 -10.624 -7.994) 16.021 9.273 ( 11.228 23.345 5.400) 26.462 9.812 ( 3.689 1.612 4.121) 5.761 10.310 ( 1.122 12.110 16.375) 20.397 10.870 ( 4.894 -11.473 10.627) 16.387 11.266 ( -1.343 7.598 17.751) 19.356 11.617 ( -1.776 -2.652 14.135) 14.491 11.837 ( -9.365 3.836 14.823) 17.948 12.003 ( -6.211 -6.034 6.586) 10.879 12.193 ( -5.219 7.061 12.218) 15.046 12.251 ( -0.446 3.613 10.920) 11.511 12.998 ( -1.905 4.884 7.294) 8.983 13.117 ( 1.424 -0.350 11.032) 11.129 13.946 ( -0.089 30.953 8.115) 31.999 14.166 ( 2.485 34.827 2.847) 35.031 15.492 ( 5.726 -26.483 -9.099) 28.582 15.862 ( 2.223 -31.109 0.477) 31.192 17.511 ( 2.706 3.247 -9.523) 10.419 17.724 ( -7.663 -6.469 -6.301) 11.844 19.694 ( -2.085 0.100 -18.527) 18.645 19.736 ( -3.031 -1.579 -20.158) 20.445 ======================= Grid point 276 (142/312) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( -4.945 19.544 6.553) 21.199 4.381 ( -5.755 -10.715 13.233) 17.973 4.616 ( 0.892 16.492 24.503) 29.550 4.776 ( -10.054 11.588 -2.742) 15.585 5.176 ( 3.060 -5.722 3.051) 7.171 5.223 ( -3.598 -8.563 1.227) 9.369 5.690 ( 5.587 0.158 -11.224) 12.538 6.043 ( -0.321 -10.030 -9.644) 13.918 6.060 ( -4.592 2.366 -4.607) 6.921 6.732 ( -6.236 -22.676 -3.860) 23.833 7.128 ( 3.645 4.182 2.050) 5.914 7.394 ( 2.484 -0.466 -8.555) 8.921 7.870 ( 1.857 3.869 -7.838) 8.936 8.493 ( 6.796 -14.674 -24.060) 28.989 8.598 ( 2.435 -0.671 0.038) 2.526 8.701 ( 12.434 -4.288 -5.720) 14.343 9.553 ( 11.213 22.962 9.134) 27.137 9.915 ( 3.808 5.229 8.678) 10.823 10.375 ( 0.869 18.461 22.123) 28.827 10.950 ( -1.304 -10.292 11.560) 15.532 11.281 ( -2.772 2.472 12.640) 13.175 11.585 ( -8.032 -2.651 25.396) 26.767 11.676 ( -11.710 4.295 13.734) 18.553 11.777 ( -17.620 -8.048 6.262) 20.358 12.170 ( 0.309 7.474 5.853) 9.498 12.301 ( 2.155 2.375 3.588) 4.812 13.017 ( 1.455 7.720 8.329) 11.449 13.215 ( 3.318 -2.173 14.961) 15.478 13.941 ( -3.407 31.548 7.846) 32.687 14.204 ( 0.160 34.976 2.787) 35.087 15.502 ( -1.438 -26.948 -8.483) 28.288 15.889 ( 0.412 -29.182 -2.295) 29.275 17.564 ( 3.337 -3.660 -9.811) 10.990 17.623 ( 2.243 -1.801 -4.593) 5.419 19.634 ( 2.640 -0.785 -18.154) 18.362 19.658 ( 2.224 -1.595 -20.829) 21.008 ======================= Grid point 277 (143/312) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.617 ( -6.680 21.397 7.288) 23.571 4.216 ( -13.400 -0.458 14.292) 19.597 4.528 ( -15.020 13.024 -0.549) 19.887 4.792 ( 6.165 6.090 16.507) 18.644 5.084 ( -5.214 -11.607 -3.643) 13.236 5.225 ( -1.095 -11.136 -1.262) 11.260 5.696 ( -6.978 5.852 -4.243) 10.047 6.060 ( 9.119 -5.879 -4.760) 11.848 6.194 ( 17.382 -1.905 0.827) 17.505 6.632 ( -0.884 -17.495 -6.747) 18.772 7.219 ( 4.615 3.070 1.078) 5.646 7.395 ( 0.753 2.499 -9.921) 10.258 7.873 ( 0.884 2.382 -3.948) 4.695 8.444 ( 1.177 -15.220 -16.333) 22.356 8.793 ( 12.678 3.510 -2.050) 13.314 8.945 ( 13.811 -4.826 -13.446) 19.870 9.656 ( -4.405 25.632 13.722) 29.406 10.002 ( 1.787 6.896 9.317) 11.729 10.546 ( 8.384 13.997 19.374) 25.329 10.915 ( -4.967 -5.373 9.426) 11.933 11.188 ( -11.551 -4.580 4.066) 13.074 11.371 ( -21.953 -7.416 12.697) 26.423 11.512 ( -9.889 3.223 21.097) 23.522 11.565 ( -5.370 0.187 18.793) 19.546 12.224 ( 1.933 5.464 6.257) 8.530 12.347 ( 1.261 1.692 3.326) 3.939 13.110 ( 4.658 8.129 9.840) 13.586 13.323 ( 2.121 -2.912 16.385) 16.777 13.864 ( -6.572 30.685 5.070) 31.788 14.194 ( -2.118 30.806 4.030) 31.141 15.387 ( -6.675 -23.623 -10.653) 26.760 15.869 ( -1.371 -29.225 -1.042) 29.276 17.556 ( 1.559 1.047 -8.036) 8.253 17.777 ( 11.524 -7.993 -4.791) 14.820 19.662 ( 6.779 -0.134 -20.562) 21.651 19.704 ( 9.994 -2.078 -19.969) 22.427 ======================= Grid point 278 (144/312) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.525 ( -5.341 23.580 8.545) 25.643 3.963 ( -17.777 15.227 10.324) 25.583 4.222 ( -15.312 3.050 7.264) 17.220 4.877 ( -4.652 -20.423 -3.731) 21.276 5.006 ( 1.052 2.628 8.561) 9.017 5.231 ( 2.912 1.080 -1.596) 3.492 5.560 ( -4.568 4.996 -1.267) 6.888 6.166 ( 4.050 -13.958 -3.520) 14.954 6.592 ( 13.178 -2.209 -2.973) 13.689 6.751 ( 18.516 -6.937 6.520) 20.820 7.304 ( 4.351 2.385 -2.819) 5.707 7.358 ( -0.915 3.990 -9.920) 10.732 7.899 ( 3.648 5.308 -0.645) 6.473 8.470 ( 6.636 -14.588 -13.511) 20.962 8.993 ( 5.256 7.023 -8.434) 12.169 9.096 ( 7.387 1.712 -6.137) 9.755 9.592 ( -3.992 23.561 13.275) 27.336 10.017 ( -3.283 6.708 6.102) 9.644 10.702 ( -4.324 1.034 1.164) 4.596 10.836 ( -6.255 -4.550 8.976) 11.849 10.896 ( -14.150 -2.628 4.167) 14.983 11.041 ( -12.676 -6.355 16.799) 21.984 11.460 ( -4.355 3.210 22.611) 23.250 11.554 ( -2.535 -0.455 16.829) 17.025 12.252 ( -2.248 5.358 10.523) 12.020 12.366 ( -1.370 1.524 7.687) 7.956 13.237 ( 3.591 5.991 11.774) 13.690 13.402 ( 0.529 -1.907 14.777) 14.909 13.744 ( -6.170 28.056 2.470) 28.832 14.160 ( -2.506 23.808 4.241) 24.312 15.201 ( -7.660 -17.772 -11.536) 22.530 15.843 ( -1.152 -30.098 1.065) 30.139 17.572 ( 2.486 6.238 -7.243) 9.877 17.988 ( 11.171 -13.169 -4.273) 17.789 19.760 ( 10.506 2.192 -21.887) 24.376 19.893 ( 16.107 -3.887 -21.207) 26.913 ======================= Grid point 279 (145/312) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( -4.220 25.784 9.342) 27.747 3.633 ( -16.884 24.677 8.375) 31.051 4.022 ( -10.279 0.604 17.954) 20.697 4.721 ( -6.947 -27.745 -0.826) 28.614 5.095 ( 3.251 4.985 7.684) 9.719 5.306 ( 4.866 13.697 -3.460) 14.941 5.522 ( 0.635 -6.120 0.784) 6.202 6.200 ( 1.134 -17.343 -4.276) 17.898 6.773 ( 8.801 5.251 -4.951) 11.381 7.131 ( 11.768 -8.352 9.421) 17.234 7.300 ( -1.348 5.547 -8.916) 10.587 7.365 ( 3.547 2.658 -7.545) 8.751 8.064 ( 12.837 10.522 7.045) 18.032 8.589 ( 8.759 -10.912 -13.616) 19.524 8.894 ( -7.439 18.714 -2.763) 20.327 9.261 ( 8.078 -0.765 -3.152) 8.705 9.574 ( -2.959 20.527 5.109) 21.360 9.949 ( -3.239 4.807 2.612) 6.358 10.319 ( -24.752 -8.541 -0.658) 26.193 10.684 ( -6.865 -17.265 -1.318) 18.627 10.843 ( -1.882 6.284 7.036) 9.620 10.985 ( -3.804 -3.532 16.241) 17.051 11.472 ( -2.496 1.996 20.294) 20.544 11.559 ( -2.002 -0.899 9.882) 10.122 12.224 ( -4.843 4.467 17.595) 18.788 12.348 ( -4.010 0.637 14.208) 14.777 13.290 ( -2.607 5.153 13.403) 14.594 13.435 ( -2.443 2.236 10.884) 11.376 13.680 ( -0.479 21.928 1.305) 21.972 14.136 ( -1.017 16.385 3.034) 16.695 15.044 ( -4.319 -10.930 -9.999) 15.430 15.831 ( -0.861 -31.161 2.703) 31.290 17.595 ( 2.143 10.875 -6.437) 12.817 18.165 ( 8.226 -16.590 -3.648) 18.873 19.904 ( 11.652 5.108 -22.812) 26.120 20.153 ( 17.531 -6.783 -23.687) 30.240 ======================= Grid point 280 (146/312) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( -5.249 31.662 10.033) 33.626 3.473 ( -4.223 21.573 13.794) 25.952 3.934 ( -5.932 4.428 23.090) 24.248 4.665 ( 1.041 -27.145 6.287) 27.883 5.175 ( 2.613 6.393 5.790) 9.012 5.385 ( 4.146 18.279 -0.258) 18.745 5.573 ( 4.004 -14.481 -1.048) 15.061 6.193 ( -0.055 -16.597 -4.135) 17.104 6.871 ( 2.158 7.167 -2.840) 8.005 7.193 ( -1.075 3.471 -16.453) 16.849 7.267 ( -2.359 -2.761 0.378) 3.651 7.409 ( 1.987 -1.371 -0.482) 2.462 8.345 ( 8.060 18.087 11.722) 23.011 8.576 ( -4.539 13.687 -15.105) 20.883 8.885 ( 5.113 0.909 -0.305) 5.202 9.258 ( -4.320 6.219 -5.501) 9.359 9.645 ( 10.264 14.855 6.655) 19.243 9.861 ( -19.758 -8.285 -1.035) 21.449 9.943 ( -0.469 -0.694 5.636) 5.698 10.592 ( -3.131 -24.211 0.112) 24.412 10.834 ( -0.055 6.012 1.808) 6.278 10.932 ( -5.481 -4.378 8.603) 11.100 11.447 ( -6.006 0.465 8.707) 10.588 11.574 ( 1.362 -1.878 9.524) 9.803 12.206 ( -4.180 2.771 24.240) 24.754 12.316 ( -5.382 0.109 21.113) 21.789 13.256 ( -4.796 5.224 11.895) 13.849 13.381 ( -5.410 7.421 8.754) 12.687 13.715 ( 2.474 15.682 1.231) 15.923 14.140 ( 0.191 12.631 2.370) 12.853 14.969 ( -0.377 -6.886 -8.270) 10.768 15.825 ( -0.942 -32.416 4.102) 32.688 17.610 ( 1.573 14.328 -5.917) 15.581 18.277 ( 4.491 -18.298 -2.982) 19.075 20.036 ( 9.492 7.348 -23.253) 26.169 20.370 ( 12.648 -9.131 -26.289) 30.569 ======================= Grid point 281 (147/312) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( -3.006 -2.424 10.422) 11.114 3.713 ( -3.006 2.424 10.422) 11.114 4.295 ( 11.135 -25.216 20.382) 34.282 4.295 ( 11.135 25.216 20.382) 34.282 5.374 ( 1.366 -10.870 4.956) 12.025 5.374 ( 1.366 10.870 4.956) 12.025 5.843 ( 2.823 -18.895 -3.284) 19.385 5.843 ( 2.823 18.895 -3.284) 19.385 6.993 ( -5.457 -7.245 -6.023) 10.888 6.993 ( -5.457 7.245 -6.023) 10.888 7.293 ( -2.401 -6.254 -6.275) 9.179 7.293 ( -2.401 6.254 -6.275) 9.179 8.510 ( -11.788 -6.073 -14.409) 19.582 8.510 ( -11.788 6.073 -14.409) 19.582 9.263 ( 2.130 -23.741 7.178) 24.894 9.263 ( 2.130 23.741 7.178) 24.894 9.578 ( -4.645 -17.806 -2.618) 18.587 9.578 ( -4.645 17.806 -2.618) 18.587 10.258 ( 9.807 -19.262 2.850) 21.802 10.258 ( 9.807 19.262 2.850) 21.802 10.772 ( -6.824 -2.328 8.620) 11.238 10.772 ( -6.824 2.328 8.620) 11.238 11.545 ( 5.354 -9.070 1.465) 10.634 11.545 ( 5.354 9.070 1.465) 10.634 12.270 ( -5.472 -3.050 33.089) 33.677 12.270 ( -5.472 3.050 33.089) 33.677 13.293 ( -5.432 -4.734 8.982) 11.515 13.293 ( -5.432 4.734 8.982) 11.515 14.136 ( 3.007 -15.079 -2.991) 15.664 14.136 ( 3.007 15.079 -2.991) 15.664 15.174 ( -1.853 -28.207 4.723) 28.659 15.174 ( -1.853 28.207 4.723) 28.659 17.956 ( 1.205 -18.313 -5.945) 19.292 17.956 ( 1.205 18.313 -5.945) 19.292 20.265 ( 4.934 -8.892 -26.198) 28.102 20.265 ( 4.934 8.892 -26.198) 28.102 ======================= Grid point 283 (148/312) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.731 ( 0.834 -3.449 11.366) 11.907 3.731 ( 0.834 3.449 11.366) 11.907 4.630 ( 15.264 -24.955 17.436) 34.055 4.630 ( 15.264 24.955 17.436) 34.055 5.385 ( -2.858 -11.743 8.287) 14.654 5.385 ( -2.858 11.743 8.287) 14.654 5.898 ( 3.637 -15.571 -1.250) 16.039 5.898 ( 3.637 15.571 -1.250) 16.039 6.803 ( -10.267 -2.414 -11.395) 15.527 6.803 ( -10.267 2.414 -11.395) 15.527 7.254 ( -0.453 -9.044 0.579) 9.074 7.254 ( -0.453 9.044 0.579) 9.074 8.181 ( -13.485 -4.692 -18.298) 23.209 8.181 ( -13.485 4.692 -18.298) 23.209 9.201 ( -8.795 -24.707 -0.140) 26.226 9.201 ( -8.795 24.707 -0.140) 26.226 9.549 ( 0.261 -0.294 -1.021) 1.094 9.549 ( 0.261 0.294 -1.021) 1.094 10.371 ( -1.296 -17.786 4.709) 18.445 10.371 ( -1.296 17.786 4.709) 18.445 10.841 ( 12.257 -3.359 8.681) 15.391 10.841 ( 12.257 3.359 8.681) 15.391 11.706 ( 9.705 -8.779 1.382) 13.160 11.706 ( 9.705 8.779 1.382) 13.160 12.280 ( -5.561 -3.081 35.752) 36.313 12.280 ( -5.561 3.081 35.752) 36.313 13.214 ( -5.532 -4.297 7.758) 10.453 13.214 ( -5.532 4.297 7.758) 10.453 14.194 ( 4.138 -14.286 -2.916) 15.157 14.194 ( 4.138 14.286 -2.916) 15.157 15.159 ( -1.236 -27.429 4.496) 27.822 15.159 ( -1.236 27.429 4.496) 27.822 17.930 ( -1.687 -17.347 -6.733) 18.684 17.930 ( -1.687 17.347 -6.733) 18.684 20.208 ( -1.522 -7.065 -25.061) 26.083 20.208 ( -1.522 7.065 -25.061) 26.083 ======================= Grid point 285 (149/312) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.817 ( 3.830 -5.700 11.621) 13.498 3.817 ( 3.830 5.700 11.621) 13.498 4.937 ( 10.288 -20.928 8.356) 24.772 4.937 ( 10.288 20.928 8.356) 24.772 5.319 ( -7.141 -13.273 13.164) 20.011 5.319 ( -7.141 13.273 13.164) 20.011 5.952 ( 1.412 -12.022 -4.022) 12.755 5.952 ( 1.412 12.022 -4.022) 12.755 6.570 ( -8.769 -8.877 -6.728) 14.176 6.570 ( -8.769 8.877 -6.728) 14.176 7.262 ( -0.194 -8.619 3.019) 9.134 7.262 ( -0.194 8.619 3.019) 9.134 7.941 ( -3.012 -2.694 -20.550) 20.944 7.941 ( -3.012 2.694 -20.550) 20.944 8.990 ( -11.315 -15.500 -3.630) 19.530 8.990 ( -11.315 15.500 -3.630) 19.530 9.526 ( -1.458 -12.256 -3.129) 12.733 9.526 ( -1.458 12.256 -3.129) 12.733 10.371 ( 1.024 -18.425 7.720) 20.003 10.371 ( 1.024 18.425 7.720) 20.003 11.152 ( 13.674 -5.062 9.899) 17.623 11.152 ( 13.674 5.062 9.899) 17.623 11.883 ( 6.273 -5.270 4.906) 9.549 11.883 ( 6.273 5.270 4.906) 9.549 12.295 ( -5.141 -2.837 33.668) 34.176 12.295 ( -5.141 2.837 33.668) 34.176 13.135 ( -5.012 -3.202 6.901) 9.110 13.135 ( -5.012 3.202 6.901) 9.110 14.284 ( 6.074 -13.804 -1.856) 15.196 14.284 ( 6.074 13.804 -1.856) 15.196 15.164 ( 0.525 -24.881 3.355) 25.112 15.164 ( 0.525 24.881 3.355) 25.112 17.845 ( -4.285 -14.650 -8.194) 17.324 17.845 ( -4.285 14.650 -8.194) 17.324 20.054 ( -5.384 -4.443 -23.245) 24.271 20.054 ( -5.384 4.443 -23.245) 24.271 ======================= Grid point 287 (150/312) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.947 ( 5.188 -9.516 11.352) 15.695 3.947 ( 5.188 9.516 11.352) 15.695 5.019 ( -4.716 -13.157 5.821) 15.140 5.019 ( -4.716 13.157 5.821) 15.140 5.256 ( -2.534 -15.978 10.883) 19.497 5.256 ( -2.534 15.978 10.883) 19.497 5.884 ( -4.529 -5.271 -12.876) 14.631 5.884 ( -4.529 5.271 -12.876) 14.631 6.464 ( -2.214 -15.423 1.451) 15.648 6.464 ( -2.214 15.423 1.451) 15.648 7.245 ( -2.327 -7.251 3.323) 8.308 7.245 ( -2.327 7.251 3.323) 8.308 7.940 ( 9.373 -6.593 -23.036) 25.729 7.940 ( 9.373 6.593 -23.036) 25.729 8.763 ( -10.564 -9.548 -2.048) 14.386 8.763 ( -10.564 9.548 -2.048) 14.386 9.526 ( 3.698 -17.659 -2.140) 18.169 9.526 ( 3.698 17.659 -2.140) 18.169 10.461 ( 4.303 -17.056 11.210) 20.859 10.461 ( 4.303 17.056 11.210) 20.859 11.388 ( 6.245 -9.354 12.842) 17.071 11.388 ( 6.245 9.354 12.842) 17.071 11.956 ( -1.508 -2.910 9.943) 10.469 11.956 ( -1.508 2.910 9.943) 10.469 12.301 ( -4.656 -1.433 24.840) 25.313 12.301 ( -4.656 1.433 24.840) 25.313 13.077 ( -3.210 -2.321 7.457) 8.443 13.077 ( -3.210 2.321 7.457) 8.443 14.408 ( 6.381 -13.701 0.508) 15.122 14.408 ( 6.381 13.701 0.508) 15.122 15.205 ( 2.907 -20.679 1.108) 20.912 15.205 ( 2.907 20.679 1.108) 20.912 17.720 ( -5.128 -10.583 -9.547) 15.147 17.720 ( -5.128 10.583 -9.547) 15.147 19.866 ( -5.629 -2.287 -21.709) 22.544 19.866 ( -5.630 2.287 -21.709) 22.544 ======================= Grid point 289 (151/312) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.068 ( 2.515 -14.872 10.168) 18.190 4.068 ( 2.515 14.872 10.168) 18.190 4.908 ( -6.816 -11.549 11.722) 17.812 4.908 ( -6.816 11.549 11.722) 17.812 5.222 ( -4.701 -5.508 1.436) 7.383 5.222 ( -4.701 5.508 1.436) 7.383 5.775 ( -0.419 -6.715 -13.236) 14.848 5.775 ( -0.419 6.715 -13.236) 14.848 6.417 ( -4.038 -16.572 -0.309) 17.060 6.417 ( -4.038 16.572 -0.309) 17.060 7.228 ( -0.050 -8.475 3.681) 9.239 7.228 ( -0.050 8.475 3.681) 9.239 8.076 ( 11.608 -13.859 -28.438) 33.698 8.076 ( 11.608 13.859 -28.438) 33.698 8.598 ( -5.001 -4.551 1.679) 6.967 8.598 ( -5.001 4.551 1.679) 6.967 9.667 ( 9.887 -15.422 3.660) 18.681 9.667 ( 9.887 15.422 3.660) 18.681 10.589 ( 3.799 -15.998 14.852) 22.157 10.589 ( 3.799 15.998 14.852) 22.157 11.477 ( -2.102 -11.329 17.489) 20.944 11.477 ( -2.102 11.329 17.489) 20.944 11.889 ( -9.020 -3.585 11.457) 15.016 11.889 ( -9.020 3.585 11.457) 15.016 12.286 ( -3.326 -1.457 14.123) 14.583 12.286 ( -3.326 1.457 14.123) 14.583 13.074 ( -0.023 -3.184 10.242) 10.725 13.074 ( -0.023 3.184 10.242) 10.725 14.507 ( 2.697 -15.633 2.546) 16.067 14.507 ( 2.697 15.633 2.546) 16.067 15.272 ( 3.453 -19.365 -1.375) 19.719 15.272 ( 3.453 19.365 -1.375) 19.719 17.605 ( -2.586 -5.922 -10.107) 11.996 17.605 ( -2.586 5.922 -10.107) 11.996 19.709 ( -2.634 -1.213 -21.044) 21.243 19.709 ( -2.634 1.213 -21.044) 21.243 ======================= Grid point 291 (152/312) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.085 ( -3.861 -18.004 8.372) 20.227 4.085 ( -3.861 18.004 8.372) 20.227 4.895 ( 0.703 -8.580 14.065) 16.490 4.895 ( 0.703 8.580 14.065) 16.490 5.072 ( -9.970 -6.929 -3.615) 12.668 5.072 ( -9.970 6.929 -3.615) 12.668 5.796 ( 5.775 -10.086 -8.642) 14.483 5.796 ( 5.775 10.086 -8.642) 14.483 6.312 ( -4.474 -18.504 -4.686) 19.606 6.312 ( -4.474 18.504 -4.686) 19.606 7.267 ( 2.173 -8.798 4.250) 10.010 7.267 ( 2.173 8.798 4.250) 10.010 8.134 ( 4.336 -18.656 -27.873) 33.819 8.134 ( 4.336 18.656 -27.873) 33.819 8.638 ( 8.569 -2.727 0.350) 9.000 8.638 ( 8.569 2.727 0.350) 9.000 9.881 ( 8.590 -9.655 7.977) 15.187 9.881 ( 8.590 9.655 7.977) 15.187 10.695 ( 1.528 -15.016 17.148) 22.844 10.695 ( 1.528 15.016 17.148) 22.844 11.430 ( -9.393 -11.088 17.939) 23.087 11.430 ( -9.393 11.088 17.939) 23.087 11.706 ( -12.992 -0.677 14.303) 19.335 11.706 ( -12.992 0.677 14.303) 19.335 12.284 ( -0.149 -3.820 6.354) 7.415 12.284 ( -0.149 3.820 6.354) 7.415 13.140 ( 2.305 -5.008 13.458) 14.543 13.140 ( 2.305 5.008 13.458) 14.543 14.516 ( -2.777 -17.717 2.327) 18.083 14.516 ( -2.777 17.717 2.327) 18.083 15.308 ( 0.635 -21.094 -2.296) 21.228 15.308 ( 0.635 21.094 -2.296) 21.228 17.571 ( 2.704 -2.756 -9.810) 10.543 17.571 ( 2.704 2.756 -9.810) 10.543 19.635 ( 2.629 -0.710 -21.230) 21.404 19.635 ( 2.629 0.710 -21.230) 21.404 ======================= Grid point 293 (153/312) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( -5.898 -17.635 8.751) 20.552 4.010 ( -5.898 17.635 8.751) 20.552 4.794 ( -14.693 -12.595 -6.289) 20.349 4.794 ( -14.693 12.595 -6.289) 20.349 5.013 ( 3.571 -9.261 12.683) 16.105 5.013 ( 3.571 9.261 12.683) 16.105 5.870 ( 1.729 -10.653 -4.778) 11.803 5.870 ( 1.729 10.653 -4.778) 11.803 6.317 ( 9.526 -12.734 -4.506) 16.529 6.317 ( 9.526 12.734 -4.506) 16.529 7.322 ( 1.863 -6.709 3.073) 7.611 7.322 ( 1.863 6.709 3.073) 7.611 8.113 ( 3.358 -17.523 -20.933) 27.505 8.113 ( 3.358 17.523 -20.934) 27.505 8.862 ( 13.740 -3.699 -5.827) 15.376 8.862 ( 13.740 3.699 -5.827) 15.376 10.006 ( 0.573 -8.489 10.764) 13.721 10.006 ( 0.573 8.489 10.764) 13.721 10.771 ( 0.692 -9.286 14.070) 16.872 10.771 ( 0.692 9.286 14.070) 16.872 11.202 ( -18.737 -6.566 11.410) 22.899 11.202 ( -18.737 6.566 11.410) 22.899 11.557 ( -8.021 -1.458 21.304) 22.811 11.557 ( -8.021 1.458 21.304) 22.811 12.320 ( 1.126 -3.788 6.019) 7.200 12.320 ( 1.126 3.788 6.019) 7.200 13.240 ( 2.836 -5.381 14.874) 16.069 13.240 ( 2.836 5.381 14.874) 16.069 14.418 ( -7.464 -18.354 0.041) 19.814 14.418 ( -7.464 18.354 0.041) 19.814 15.286 ( -1.862 -22.843 -0.984) 22.940 15.286 ( -1.862 22.843 -0.984) 22.940 17.636 ( 6.792 -6.299 -9.126) 13.004 17.636 ( 6.792 6.299 -9.126) 13.004 19.672 ( 8.790 -1.140 -22.021) 23.738 19.672 ( 8.790 1.140 -22.021) 23.738 ======================= Grid point 295 (154/312) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.935 ( -5.150 -16.348 11.106) 20.423 3.935 ( -5.150 16.348 11.106) 20.423 4.457 ( -16.878 -20.433 -5.097) 26.988 4.457 ( -16.878 20.433 -5.097) 26.988 5.124 ( 3.818 -7.700 8.972) 12.424 5.124 ( 3.818 7.700 8.972) 12.424 5.839 ( -1.439 -18.266 -5.321) 19.080 5.839 ( -1.439 18.266 -5.321) 19.080 6.617 ( 18.739 -5.186 0.566) 19.452 6.617 ( 18.739 5.186 0.566) 19.452 7.355 ( 1.086 -3.343 0.120) 3.517 7.355 ( 1.086 3.343 0.120) 3.517 8.153 ( 7.750 -17.027 -15.398) 24.230 8.153 ( 7.750 17.027 -15.398) 24.230 9.079 ( 10.079 -2.626 -8.108) 13.199 9.079 ( 10.079 2.626 -8.108) 13.199 9.995 ( -4.487 -12.173 11.181) 17.127 9.995 ( -4.487 12.173 11.181) 17.127 10.705 ( -16.089 -4.288 -1.087) 16.686 10.705 ( -16.089 4.288 -1.087) 16.686 10.939 ( -6.784 -4.154 19.084) 20.675 10.939 ( -6.784 4.154 19.084) 20.675 11.518 ( -3.894 -2.765 20.380) 20.932 11.518 ( -3.894 2.765 20.380) 20.932 12.343 ( -2.242 -3.458 11.122) 11.861 12.343 ( -2.242 3.458 11.122) 11.861 13.339 ( 1.777 -4.370 14.427) 15.179 13.339 ( 1.777 4.370 14.427) 15.179 14.253 ( -8.132 -18.606 -2.464) 20.454 14.253 ( -8.132 18.606 -2.464) 20.454 15.246 ( -2.112 -25.444 1.336) 25.567 15.246 ( -2.112 25.444 1.336) 25.567 17.749 ( 7.436 -11.144 -8.258) 15.738 17.749 ( 7.436 11.144 -8.258) 15.738 19.817 ( 13.670 -3.607 -23.291) 27.246 19.817 ( 13.670 3.607 -23.291) 27.246 ======================= Grid point 297 (155/312) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.878 ( -5.612 -15.132 12.452) 20.385 3.878 ( -5.612 15.132 12.452) 20.385 4.161 ( -11.270 -28.844 2.387) 31.059 4.161 ( -11.270 28.844 2.387) 31.059 5.222 ( 3.838 -9.055 5.776) 11.405 5.222 ( 3.838 9.055 5.776) 11.405 5.808 ( 0.297 -21.587 -5.755) 22.343 5.808 ( 0.297 21.587 -5.755) 22.343 6.932 ( 11.194 -10.366 2.150) 15.407 6.932 ( 11.194 10.366 2.150) 15.407 7.372 ( 1.557 -2.719 -5.387) 6.232 7.372 ( 1.557 2.719 -5.387) 6.232 8.329 ( 14.514 -14.734 -8.128) 22.222 8.329 ( 14.514 14.734 -8.128) 22.222 9.178 ( 2.869 -8.784 -6.205) 11.131 9.178 ( 2.869 8.784 -6.205) 11.131 9.935 ( -5.459 -11.959 6.532) 14.679 9.935 ( -5.459 11.959 6.532) 14.679 10.315 ( -18.644 -13.790 -0.428) 23.194 10.315 ( -18.644 13.790 -0.428) 23.194 10.929 ( -2.908 -3.200 13.275) 13.962 10.929 ( -2.908 3.200 13.275) 13.962 11.518 ( -3.010 -2.429 15.239) 15.722 11.518 ( -3.010 2.429 15.239) 15.722 12.311 ( -5.706 -3.887 18.883) 20.106 12.311 ( -5.706 3.887 18.883) 20.106 13.388 ( -1.769 -4.547 12.703) 13.608 13.388 ( -1.769 4.547 12.703) 13.608 14.125 ( -3.329 -17.716 -3.464) 18.355 14.125 ( -3.329 17.716 -3.464) 18.355 15.216 ( -1.787 -27.386 3.209) 27.631 15.216 ( -1.787 27.386 3.209) 27.631 17.855 ( 5.955 -15.043 -7.158) 17.691 17.855 ( 5.955 15.043 -7.158) 17.691 20.019 ( 14.817 -6.608 -24.836) 29.665 20.019 ( 14.817 6.608 -24.836) 29.665 ======================= Grid point 299 (156/312) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.780 ( -7.116 -5.935 9.399) 13.199 3.780 ( -7.116 5.935 9.399) 13.199 4.102 ( 1.733 -26.233 15.498) 30.519 4.102 ( 1.733 26.233 15.498) 30.519 5.310 ( 3.340 -10.213 4.270) 11.562 5.310 ( 3.340 10.213 4.270) 11.562 5.811 ( 1.878 -21.422 -5.163) 22.115 5.811 ( 1.878 21.422 -5.163) 22.115 7.046 ( 0.831 -10.284 1.016) 10.368 7.046 ( 0.831 10.284 1.016) 10.368 7.360 ( -0.465 -4.750 -10.862) 11.865 7.360 ( -0.465 4.750 -10.862) 11.865 8.584 ( 9.376 -8.830 -4.978) 13.808 8.584 ( 9.376 8.830 -4.978) 13.808 9.187 ( 1.490 -16.594 -1.976) 16.777 9.187 ( 1.490 16.594 -1.976) 16.777 9.756 ( -12.721 -5.030 1.600) 13.773 9.756 ( -12.721 5.030 1.600) 13.773 10.135 ( 0.236 -19.466 1.394) 19.517 10.135 ( 0.236 19.466 1.394) 19.517 10.885 ( -6.090 -1.817 9.790) 11.672 10.885 ( -6.090 1.817 9.790) 11.672 11.501 ( -1.713 -4.420 7.045) 8.491 11.501 ( -1.713 4.420 7.045) 8.491 12.274 ( -5.808 -3.653 27.315) 28.163 12.274 ( -5.808 3.653 27.315) 28.163 13.360 ( -4.712 -4.949 10.523) 12.547 13.360 ( -4.712 4.949 10.523) 12.547 14.100 ( 1.395 -16.257 -3.116) 16.611 14.100 ( 1.395 16.257 -3.116) 16.611 15.195 ( -1.796 -28.155 4.298) 28.538 15.195 ( -1.796 28.155 4.298) 28.538 17.927 ( 3.772 -17.505 -6.181) 18.944 17.927 ( 3.772 17.505 -6.181) 18.944 20.193 ( 11.379 -8.749 -26.052) 29.745 20.193 ( 11.379 8.749 -26.052) 29.745 ======================= Grid point 341 (157/312) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 11.175 0.000 39.092) 40.658 2.330 ( -1.298 0.000 37.703) 37.725 3.286 ( -3.901 0.000 21.596) 21.946 4.556 ( -2.792 0.000 54.734) 54.805 4.787 ( -12.154 0.000 -12.973) 17.777 5.476 ( 4.975 0.000 -20.347) 20.946 5.563 ( -3.058 0.000 -32.801) 32.943 6.545 ( -16.114 0.000 26.323) 30.864 6.835 ( 1.069 0.000 -8.163) 8.232 7.279 ( -3.797 0.000 3.668) 5.279 7.298 ( 4.363 0.000 0.455) 4.387 7.705 ( 10.119 0.000 14.226) 17.458 7.882 ( 2.764 0.000 -17.334) 17.553 8.423 ( 10.222 0.000 12.452) 16.110 8.726 ( -12.877 0.000 -7.203) 14.755 9.034 ( 0.774 0.000 28.307) 28.317 9.564 ( -1.050 0.000 11.103) 11.153 9.858 ( 5.677 0.000 4.477) 7.229 10.080 ( -5.402 0.000 8.569) 10.130 10.342 ( 1.712 0.000 16.412) 16.501 10.974 ( 16.135 0.000 9.780) 18.867 11.065 ( -12.563 0.000 -3.695) 13.095 11.392 ( 0.123 0.000 3.117) 3.119 11.413 ( -2.585 0.000 -9.626) 9.967 11.754 ( -2.499 0.000 -26.150) 26.269 12.020 ( -9.675 0.000 23.573) 25.481 12.575 ( -1.066 0.000 -25.822) 25.844 13.326 ( -1.715 0.000 4.064) 4.411 13.381 ( 2.302 0.000 3.385) 4.094 13.583 ( 0.133 0.000 18.175) 18.176 15.573 ( 9.605 0.000 -22.769) 24.712 15.737 ( 5.227 0.000 -32.964) 33.376 18.053 ( -7.741 0.000 18.876) 20.402 19.409 ( 2.088 0.000 -13.369) 13.531 20.055 ( 4.389 0.000 4.311) 6.152 20.474 ( -11.619 0.000 -4.811) 12.576 ======================= Grid point 342 (158/312) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 12.178 0.000 35.974) 37.980 2.706 ( 26.217 0.000 36.304) 44.780 3.294 ( -1.774 0.000 19.304) 19.385 4.513 ( -9.598 0.000 -17.898) 20.309 4.809 ( 10.742 0.000 50.846) 51.968 5.372 ( -5.320 0.000 -31.803) 32.245 5.569 ( 8.799 0.000 -10.643) 13.809 6.350 ( -11.838 0.000 27.196) 29.661 6.830 ( 1.607 0.000 -9.110) 9.250 7.212 ( -3.846 0.000 -0.066) 3.846 7.356 ( 0.073 0.000 3.271) 3.272 7.859 ( 1.813 0.000 -19.738) 19.821 7.915 ( 6.060 0.000 12.494) 13.886 8.434 ( -13.104 0.000 -5.965) 14.398 8.620 ( 5.900 0.000 10.145) 11.736 9.062 ( -8.257 0.000 25.340) 26.651 9.599 ( 2.539 0.000 14.189) 14.415 10.001 ( 6.212 0.000 6.956) 9.326 10.091 ( 0.150 0.000 11.698) 11.699 10.394 ( -2.833 0.000 14.006) 14.289 10.842 ( -9.149 0.000 -3.404) 9.762 11.280 ( 10.023 0.000 6.696) 12.054 11.316 ( -3.694 0.000 -11.387) 11.971 11.415 ( 3.834 0.000 -4.818) 6.157 11.684 ( 7.401 0.000 -24.853) 25.931 11.912 ( -10.758 0.000 30.804) 32.628 12.388 ( -8.271 0.000 -25.750) 27.046 13.286 ( -4.042 0.000 1.459) 4.297 13.390 ( -2.877 0.000 3.078) 4.213 13.652 ( 0.639 0.000 19.176) 19.187 15.725 ( 5.170 0.000 -33.255) 33.655 15.763 ( 17.378 0.000 -22.493) 28.424 17.972 ( -7.543 0.000 20.952) 22.268 19.419 ( 3.322 0.000 -12.222) 12.666 20.084 ( -25.285 0.000 0.378) 25.288 20.121 ( 0.559 0.000 4.895) 4.927 ======================= Grid point 343 (159/312) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 20.713 0.000 32.236) 38.317 3.164 ( 4.018 0.000 22.139) 22.500 3.480 ( 17.972 0.000 28.590) 33.770 4.327 ( -3.261 0.000 -15.742) 16.076 5.151 ( -6.059 0.000 -30.389) 30.987 5.261 ( 15.551 0.000 32.310) 35.857 5.718 ( 7.874 0.000 18.608) 20.205 6.335 ( 4.102 0.000 14.319) 14.895 6.829 ( 0.775 0.000 -8.778) 8.812 7.128 ( -3.971 0.000 -3.730) 5.448 7.293 ( -7.473 0.000 3.319) 8.177 7.842 ( 3.927 0.000 -20.902) 21.268 8.015 ( 0.938 0.000 8.611) 8.662 8.237 ( -5.083 0.000 -1.313) 5.250 8.708 ( -0.697 0.000 9.433) 9.459 8.938 ( -11.343 0.000 23.067) 25.705 9.730 ( 4.737 0.000 11.974) 12.878 10.018 ( -10.817 0.000 2.845) 11.185 10.078 ( -6.823 0.000 10.680) 12.674 10.453 ( 8.772 0.000 12.575) 15.333 10.685 ( -4.820 0.000 1.107) 4.946 11.221 ( 1.145 0.000 -18.034) 18.070 11.388 ( 2.643 0.000 -4.741) 5.427 11.482 ( 3.188 0.000 -14.729) 15.070 11.811 ( -11.477 0.000 38.382) 40.061 11.896 ( 16.964 0.000 -7.644) 18.607 12.131 ( -8.695 0.000 -20.307) 22.090 13.170 ( -8.107 0.000 -0.117) 8.108 13.294 ( -7.710 0.000 4.436) 8.895 13.738 ( 1.121 0.000 20.718) 20.749 15.714 ( 5.344 0.000 -33.377) 33.802 16.067 ( 21.214 0.000 -23.338) 31.539 17.907 ( -6.859 0.000 24.452) 25.396 19.451 ( 3.922 0.000 -11.235) 11.900 19.582 ( -25.904 0.000 4.681) 26.324 20.108 ( -3.396 0.000 3.974) 5.227 ======================= Grid point 344 (160/312) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -3.051 0.000 17.485) 17.749 3.554 ( 23.926 0.000 28.787) 37.432 3.983 ( 20.432 0.000 32.302) 38.221 4.258 ( -1.848 0.000 -5.677) 5.971 4.976 ( 0.624 0.000 -30.339) 30.346 5.373 ( -10.431 0.000 26.973) 28.920 6.114 ( 17.584 0.000 18.266) 25.354 6.576 ( 14.656 0.000 3.888) 15.163 6.749 ( -7.825 0.000 -5.155) 9.370 7.082 ( 3.917 0.000 -2.029) 4.411 7.167 ( -3.143 0.000 -3.383) 4.618 7.869 ( 5.422 0.000 -17.761) 18.570 8.043 ( 0.793 0.000 5.098) 5.159 8.222 ( 2.240 0.000 4.776) 5.275 8.646 ( -8.695 0.000 7.789) 11.673 8.816 ( -8.143 0.000 19.520) 21.150 9.684 ( -20.643 0.000 0.869) 20.661 9.816 ( -1.663 0.000 7.866) 8.040 9.900 ( -11.290 0.000 4.336) 12.093 10.535 ( -3.940 0.000 12.925) 13.512 10.918 ( 23.597 0.000 5.024) 24.125 11.259 ( 8.073 0.000 -16.651) 18.505 11.330 ( -10.073 0.000 -23.499) 25.567 11.413 ( 2.877 0.000 -8.693) 9.157 11.772 ( -8.133 0.000 47.201) 47.896 11.928 ( -7.195 0.000 -15.497) 17.086 12.200 ( 15.110 0.000 -2.075) 15.252 12.980 ( -11.065 0.000 -0.340) 11.071 13.154 ( -7.837 0.000 6.484) 10.171 13.829 ( 0.444 0.000 22.617) 22.621 15.707 ( 5.586 0.000 -33.323) 33.788 16.387 ( 19.089 0.000 -25.798) 32.092 17.886 ( -4.054 0.000 29.254) 29.533 19.149 ( -20.104 0.000 5.379) 20.811 19.489 ( 3.749 0.000 -10.571) 11.216 20.023 ( -6.063 0.000 1.705) 6.298 ======================= Grid point 345 (161/312) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( -3.680 0.000 17.796) 18.172 4.038 ( 2.592 0.000 19.023) 19.199 4.203 ( 9.111 0.000 9.450) 13.127 4.481 ( 19.914 0.000 31.651) 37.394 5.041 ( 15.828 0.000 -25.016) 29.603 5.188 ( -18.442 0.000 35.508) 40.012 6.242 ( -8.137 0.000 -0.874) 8.184 6.523 ( -12.137 0.000 -3.004) 12.503 6.760 ( 7.964 0.000 -13.607) 15.767 7.142 ( 1.333 0.000 -9.527) 9.620 7.344 ( 13.884 0.000 -0.140) 13.885 7.919 ( 5.151 0.000 -14.916) 15.781 8.166 ( 11.313 0.000 11.159) 15.891 8.331 ( 4.818 0.000 14.586) 15.361 8.444 ( -12.664 0.000 8.293) 15.138 8.771 ( -1.598 0.000 11.985) 12.091 9.317 ( -16.826 0.000 5.524) 17.710 9.603 ( -13.007 0.000 -1.165) 13.059 9.835 ( -3.917 0.000 4.713) 6.128 10.498 ( -5.719 0.000 13.818) 14.954 11.026 ( -5.146 0.000 -25.386) 25.903 11.357 ( 5.034 0.000 -11.618) 12.662 11.468 ( 23.974 0.000 11.085) 26.413 11.476 ( 8.619 0.000 -13.266) 15.820 11.661 ( -13.592 0.000 -3.063) 13.933 11.820 ( -4.587 0.000 36.102) 36.392 12.426 ( 6.450 0.000 -2.597) 6.953 12.769 ( -8.341 0.000 1.131) 8.417 13.049 ( -5.381 0.000 5.881) 7.971 13.900 ( -1.669 0.000 25.158) 25.214 15.705 ( 5.834 0.000 -33.139) 33.649 16.574 ( 8.524 0.000 -28.387) 29.639 17.983 ( 3.902 0.000 33.397) 33.624 18.850 ( -12.429 0.000 5.150) 13.453 19.521 ( 3.058 0.000 -10.035) 10.491 19.898 ( -6.534 0.000 -1.538) 6.713 ======================= Grid point 346 (162/312) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( -3.471 0.000 19.437) 19.745 3.810 ( -18.811 0.000 9.114) 20.902 4.649 ( 19.394 0.000 21.170) 28.710 4.855 ( -13.543 0.000 22.221) 26.023 5.024 ( 9.888 0.000 44.398) 45.486 5.355 ( 21.755 0.000 -16.787) 27.478 5.885 ( -25.148 0.000 -3.676) 25.415 6.309 ( -7.773 0.000 -4.185) 8.828 6.841 ( 4.319 0.000 -15.880) 16.457 7.126 ( 0.766 0.000 -11.864) 11.888 7.373 ( -5.313 0.000 -15.263) 16.162 7.965 ( 4.362 0.000 -12.061) 12.826 8.122 ( -15.015 0.000 14.106) 20.602 8.457 ( 0.739 0.000 21.361) 21.374 8.597 ( 8.708 0.000 8.040) 11.852 8.841 ( 5.365 0.000 2.932) 6.114 9.176 ( 6.177 0.000 13.217) 14.589 9.427 ( -2.805 0.000 -0.400) 2.833 9.730 ( -7.848 0.000 1.953) 8.088 10.362 ( -11.600 0.000 10.340) 15.540 11.009 ( 10.843 0.000 -18.773) 21.679 11.352 ( -15.006 0.000 -4.368) 15.629 11.380 ( 1.513 0.000 -8.015) 8.157 11.630 ( 11.452 0.000 -17.328) 20.771 11.777 ( -3.477 0.000 41.596) 41.741 12.047 ( 20.283 0.000 8.672) 22.060 12.301 ( -14.800 0.000 -4.471) 15.460 12.799 ( 7.659 0.000 2.566) 8.078 12.973 ( -4.108 0.000 3.132) 5.166 13.923 ( -5.484 0.000 27.669) 28.207 15.708 ( 6.093 0.000 -32.874) 33.434 16.515 ( -3.906 0.000 -28.162) 28.432 18.243 ( 8.378 0.000 33.932) 34.951 18.721 ( -0.952 0.000 5.674) 5.753 19.542 ( 2.619 0.000 -9.199) 9.565 19.772 ( -5.060 0.000 -5.212) 7.264 ======================= Grid point 347 (163/312) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( -2.892 0.000 21.876) 22.066 3.443 ( -22.817 0.000 14.232) 26.891 4.429 ( -32.956 0.000 17.255) 37.200 5.015 ( 10.830 0.000 17.604) 20.669 5.329 ( -27.026 0.000 15.662) 31.237 5.517 ( 16.878 0.000 32.612) 36.721 5.688 ( 15.688 0.000 -14.316) 21.238 6.237 ( 3.403 0.000 -4.267) 5.457 6.748 ( -9.102 0.000 -20.960) 22.851 7.107 ( 1.954 0.000 -12.649) 12.799 7.206 ( -3.429 0.000 -12.326) 12.795 7.917 ( -11.837 0.000 20.689) 23.836 8.002 ( 3.061 0.000 -11.369) 11.774 8.482 ( -14.223 0.000 -0.358) 14.228 8.507 ( -2.189 0.000 21.911) 22.020 8.936 ( 4.109 0.000 -1.925) 4.538 9.537 ( 8.680 0.000 5.166) 10.101 9.566 ( -5.398 0.000 0.882) 5.470 9.610 ( 23.639 0.000 10.969) 26.059 10.180 ( -9.675 0.000 9.067) 13.260 11.090 ( -8.899 0.000 -0.399) 8.908 11.251 ( 16.281 0.000 -11.744) 20.075 11.358 ( -2.044 0.000 -6.640) 6.947 11.778 ( 9.964 0.000 -19.843) 22.204 11.833 ( -3.288 0.000 40.041) 40.176 11.956 ( -17.337 0.000 -4.666) 17.954 12.411 ( 12.709 0.000 1.655) 12.817 12.927 ( -0.173 0.000 1.007) 1.021 12.971 ( 8.666 0.000 2.236) 8.950 13.868 ( -10.193 0.000 29.190) 30.919 15.718 ( 6.311 0.000 -32.593) 33.198 16.277 ( -9.939 0.000 -27.423) 29.169 18.374 ( -4.690 0.000 23.542) 24.005 18.968 ( 21.280 0.000 16.328) 26.823 19.564 ( 2.623 0.000 -8.662) 9.050 19.675 ( -2.260 0.000 -7.604) 7.933 ======================= Grid point 348 (164/312) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( -24.980 0.000 21.178) 32.749 3.225 ( -2.831 0.000 24.201) 24.366 3.701 ( -44.235 0.000 4.210) 44.435 4.902 ( -23.937 0.000 37.370) 44.379 5.179 ( 1.653 0.000 10.033) 10.168 5.820 ( 4.870 0.000 -18.058) 18.703 5.932 ( 9.712 0.000 15.996) 18.713 6.424 ( 14.345 0.000 -1.055) 14.384 6.451 ( -8.758 0.000 -5.879) 10.548 7.121 ( 3.805 0.000 -12.691) 13.249 7.166 ( 1.513 0.000 -8.804) 8.933 7.787 ( -10.624 0.000 24.887) 27.059 7.981 ( -1.050 0.000 -13.395) 13.436 8.196 ( -12.816 0.000 -1.160) 12.868 8.563 ( 0.392 0.000 24.690) 24.693 9.033 ( 7.173 0.000 -1.108) 7.258 9.385 ( -8.013 0.000 -1.637) 8.179 9.872 ( 16.779 0.000 9.583) 19.323 9.909 ( 0.723 0.000 0.146) 0.738 10.119 ( 2.538 0.000 13.535) 13.771 11.026 ( 2.719 0.000 2.246) 3.527 11.187 ( -14.969 0.000 -6.259) 16.225 11.482 ( 5.995 0.000 5.458) 8.107 11.673 ( -7.726 0.000 -6.313) 9.978 11.882 ( 6.986 0.000 -19.754) 20.953 11.971 ( 8.045 0.000 17.659) 19.405 12.498 ( -2.086 0.000 -1.641) 2.654 13.018 ( 8.146 0.000 0.772) 8.182 13.143 ( 8.321 0.000 1.608) 8.475 13.733 ( -13.494 0.000 29.345) 32.299 15.731 ( 6.335 0.000 -32.400) 33.013 15.979 ( -10.580 0.000 -26.681) 28.703 18.319 ( -7.386 0.000 19.142) 20.517 19.522 ( 27.781 0.000 18.439) 33.344 19.544 ( -0.933 0.000 -12.635) 12.670 19.679 ( 4.679 0.000 -3.716) 5.975 ======================= Grid point 349 (165/312) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -23.242 0.000 28.596) 36.850 2.821 ( -44.208 0.000 9.276) 45.170 3.268 ( -3.293 0.000 25.309) 25.522 4.643 ( -18.227 0.000 48.479) 51.792 5.169 ( -4.332 0.000 2.108) 4.818 5.803 ( -11.701 0.000 -24.726) 27.355 5.804 ( 1.269 0.000 -24.252) 24.285 6.603 ( 9.087 0.000 33.327) 34.543 6.686 ( 11.276 0.000 -0.339) 11.281 7.157 ( 3.822 0.000 -10.323) 11.008 7.184 ( 3.494 0.000 -5.155) 6.228 7.632 ( -12.815 0.000 19.471) 23.310 7.901 ( -0.777 0.000 -15.680) 15.699 8.062 ( -1.133 0.000 7.398) 7.484 8.685 ( 2.660 0.000 27.021) 27.151 9.155 ( -0.825 0.000 0.391) 0.913 9.291 ( 4.012 0.000 -0.190) 4.016 9.829 ( -4.678 0.000 -0.442) 4.699 10.215 ( 0.588 0.000 14.715) 14.726 10.216 ( 14.063 0.000 11.381) 18.092 10.794 ( -20.198 0.000 -5.795) 21.013 11.167 ( 9.015 0.000 0.438) 9.026 11.503 ( -6.288 0.000 13.622) 15.003 11.569 ( -2.553 0.000 -6.821) 7.283 11.917 ( 3.579 0.000 -20.305) 20.618 12.164 ( 2.749 0.000 5.575) 6.216 12.464 ( 4.503 0.000 -7.058) 8.372 13.177 ( 7.113 0.000 1.050) 7.190 13.294 ( 6.454 0.000 -1.049) 6.538 13.574 ( -12.074 0.000 29.467) 31.845 15.712 ( -7.133 0.000 -25.393) 26.375 15.742 ( 6.054 0.000 -32.400) 32.961 18.233 ( -7.853 0.000 18.188) 19.811 19.480 ( -0.659 0.000 -14.187) 14.202 19.791 ( 7.056 0.000 -0.451) 7.070 20.106 ( 25.451 0.000 10.922) 27.696 ======================= Grid point 350 (166/312) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -24.472 0.000 26.473) 36.051 2.370 ( -15.075 0.000 34.957) 38.069 3.285 ( -3.897 0.000 24.440) 24.749 4.522 ( -11.939 0.000 53.348) 54.667 5.032 ( -9.260 0.000 -5.215) 10.628 5.546 ( -4.557 0.000 -24.807) 25.222 5.711 ( -1.062 0.000 -30.468) 30.486 6.721 ( -8.435 0.000 25.409) 26.773 6.821 ( 3.677 0.000 -4.863) 6.097 7.211 ( 4.557 0.000 -3.788) 5.926 7.294 ( 4.009 0.000 5.776) 7.031 7.515 ( -0.785 0.000 13.990) 14.012 7.874 ( 3.335 0.000 -16.973) 17.298 8.180 ( 8.473 0.000 13.861) 16.245 8.828 ( 2.242 0.000 21.889) 22.004 9.026 ( -8.711 0.000 3.090) 9.243 9.466 ( 8.007 0.000 5.694) 9.825 9.783 ( 0.505 0.000 1.118) 1.227 10.267 ( 0.062 0.000 16.381) 16.382 10.282 ( -14.672 0.000 6.897) 16.212 10.652 ( 11.967 0.000 4.131) 12.660 11.283 ( -1.644 0.000 -5.552) 5.790 11.377 ( -5.948 0.000 11.836) 13.247 11.494 ( -2.689 0.000 -8.225) 8.654 11.875 ( -0.642 0.000 -21.953) 21.962 12.120 ( -7.682 0.000 16.655) 18.341 12.584 ( 8.173 0.000 -20.321) 21.903 13.297 ( 4.853 0.000 2.795) 5.600 13.347 ( -0.925 0.000 1.080) 1.422 13.524 ( -2.240 0.000 23.962) 24.066 15.556 ( 0.229 0.000 -23.858) 23.859 15.744 ( 5.585 0.000 -32.622) 33.096 18.142 ( -7.862 0.000 18.080) 19.715 19.430 ( 0.608 0.000 -14.217) 14.230 19.932 ( 6.805 0.000 2.375) 7.207 20.496 ( 10.813 0.000 -0.805) 10.843 ======================= Grid point 351 (167/312) ======================= q-point: ( 0.00 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 9.774 14.923 35.993) 40.172 2.602 ( 0.861 23.288 32.619) 40.088 3.409 ( -4.821 13.084 18.555) 23.211 4.605 ( -0.878 5.103 48.922) 49.196 4.837 ( -9.846 5.162 -9.072) 14.349 5.549 ( 0.474 6.264 -20.572) 21.510 5.624 ( 0.734 5.894 -28.738) 29.345 6.514 ( -13.609 -2.401 25.380) 28.898 6.801 ( 1.536 -3.276 -7.883) 8.674 7.137 ( -0.484 -10.576 3.539) 11.163 7.296 ( 2.236 -4.365 1.556) 5.145 7.679 ( 6.209 -1.820 10.923) 12.696 7.829 ( 1.304 -3.712 -14.748) 15.263 8.378 ( 4.510 -4.844 9.371) 11.472 8.736 ( -9.455 1.304 -3.585) 10.196 9.125 ( 0.662 8.487 24.878) 26.294 9.417 ( -0.979 -8.802 10.084) 13.420 9.988 ( 3.267 5.150 3.522) 7.043 10.086 ( -4.979 4.491 9.561) 11.678 10.487 ( 2.039 10.909 8.436) 13.940 10.822 ( 6.521 -5.555 5.082) 9.960 11.176 ( -1.560 5.303 6.985) 8.908 11.377 ( 3.818 -1.305 -4.250) 5.860 11.695 ( -4.446 4.045 -15.084) 16.238 11.775 ( -0.640 19.486 -9.525) 21.699 12.126 ( -12.141 10.221 19.841) 25.407 12.579 ( -1.054 2.108 -18.963) 19.109 13.335 ( -2.339 0.847 5.680) 6.200 13.414 ( 1.498 3.464 2.607) 4.587 13.612 ( 0.836 2.993 15.169) 15.484 15.444 ( 7.971 -10.066 -22.562) 25.960 15.853 ( 6.918 8.577 -32.119) 33.957 17.973 ( -7.417 -8.011 18.996) 21.910 19.361 ( 1.113 -5.607 -11.702) 13.024 19.892 ( 2.400 -13.940 4.891) 14.967 20.443 ( -7.266 -3.989 -9.778) 12.819 ======================= Grid point 352 (168/312) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 15.926 13.998 32.503) 38.808 2.891 ( 16.565 16.444 33.265) 40.637 3.403 ( -1.135 12.024 17.356) 21.145 4.592 ( -8.665 7.828 -16.313) 20.062 4.885 ( 11.860 7.617 45.047) 47.201 5.411 ( -4.770 4.250 -28.025) 28.744 5.655 ( 7.136 7.763 -9.781) 14.383 6.353 ( -10.629 0.476 26.269) 28.342 6.798 ( 1.216 -3.502 -8.548) 9.317 7.125 ( -1.730 -7.788 1.250) 8.075 7.307 ( -1.818 -5.475 1.368) 5.929 7.775 ( 0.871 -6.288 -6.384) 9.003 7.890 ( 8.454 -4.166 -0.355) 9.431 8.321 ( -10.109 -9.110 -0.538) 13.619 8.663 ( 1.222 2.404 5.521) 6.144 9.124 ( -9.426 6.405 22.820) 25.508 9.455 ( 1.649 -9.887 12.925) 16.356 10.008 ( -2.678 -4.364 7.527) 9.103 10.150 ( 5.488 10.219 8.103) 14.150 10.522 ( -1.668 10.607 6.026) 12.313 10.833 ( -5.404 0.132 -0.999) 5.497 11.227 ( 1.808 -3.079 9.047) 9.726 11.458 ( 6.073 1.619 -8.634) 10.679 11.603 ( 3.615 11.999 -16.248) 20.520 11.770 ( 4.025 19.481 -11.571) 23.012 11.990 ( -10.242 7.409 29.259) 31.873 12.439 ( -6.040 6.449 -17.527) 19.629 13.290 ( -4.373 0.421 2.269) 4.944 13.414 ( -2.949 2.637 3.360) 5.190 13.668 ( -0.301 1.656 16.950) 17.033 15.566 ( 11.550 -10.176 -24.285) 28.753 15.907 ( 10.463 8.492 -30.609) 33.444 17.900 ( -7.010 -7.273 20.567) 22.914 19.341 ( -0.182 -8.722 -8.273) 12.023 19.855 ( -9.586 -13.402 2.442) 16.658 20.208 ( -10.001 0.585 -4.791) 11.105 ======================= Grid point 353 (169/312) ======================= q-point: ( 0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( 14.813 10.471 28.713) 33.963 3.239 ( 8.431 9.028 20.965) 24.334 3.592 ( 14.924 11.446 27.547) 33.356 4.409 ( -3.868 8.194 -15.921) 18.319 5.205 ( -5.785 5.384 -26.926) 28.062 5.299 ( 11.531 2.886 23.851) 26.649 5.819 ( 11.080 10.547 21.603) 26.471 6.333 ( 1.980 -0.393 14.897) 15.033 6.784 ( -0.494 -5.098 -8.636) 10.041 7.075 ( -3.100 -5.271 -2.503) 6.608 7.240 ( -4.484 -4.464 2.114) 6.671 7.766 ( 1.947 -6.956 -11.918) 13.936 8.015 ( 2.742 -1.143 2.101) 3.638 8.164 ( -3.333 -7.178 0.029) 7.914 8.694 ( -2.153 -1.029 6.287) 6.725 8.978 ( -11.184 4.155 19.309) 22.698 9.532 ( 1.056 -15.833 11.076) 19.351 9.938 ( -6.980 -5.812 6.032) 10.903 10.152 ( -12.565 7.602 3.290) 15.050 10.555 ( 9.822 6.144 3.298) 12.046 10.776 ( 0.070 9.042 4.664) 10.175 11.208 ( -1.701 -2.032 -8.113) 8.535 11.551 ( 4.920 9.665 -9.151) 14.190 11.673 ( 3.643 22.041 -8.709) 23.978 11.799 ( -3.189 -0.787 14.174) 14.550 12.008 ( 6.932 10.655 14.425) 19.227 12.263 ( -6.184 13.828 -12.969) 19.941 13.169 ( -8.586 -0.010 0.259) 8.590 13.321 ( -7.558 3.090 4.976) 9.562 13.729 ( 0.309 -0.817 19.568) 19.588 15.675 ( 8.498 -4.566 -28.786) 30.359 16.080 ( 17.137 1.705 -26.980) 32.008 17.845 ( -6.113 -6.308 23.282) 24.884 19.249 ( -10.261 -16.765 1.418) 19.707 19.606 ( -9.318 -0.274 -7.723) 12.106 20.074 ( -5.107 -3.655 -0.050) 6.280 ======================= Grid point 354 (170/312) ======================= q-point: ( 0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( -2.734 4.593 17.630) 18.422 3.696 ( 23.320 13.186 24.634) 36.394 4.028 ( 16.733 4.709 30.042) 34.708 4.338 ( 0.379 7.971 -6.349) 10.197 5.030 ( -0.795 5.315 -27.190) 27.716 5.358 ( -10.119 -1.545 23.800) 25.908 6.225 ( 14.994 10.130 16.139) 24.247 6.478 ( 5.109 -8.810 4.055) 10.962 6.696 ( -4.050 -5.308 -5.714) 8.788 7.009 ( -0.954 -6.070 -3.060) 6.864 7.251 ( 7.150 6.058 1.712) 9.526 7.769 ( 2.131 -9.089 -7.857) 12.202 8.042 ( 1.240 -4.223 4.731) 6.462 8.182 ( 2.750 -0.977 -1.584) 3.320 8.589 ( -8.420 -2.819 3.154) 9.423 8.866 ( -6.696 3.209 14.192) 16.017 9.530 ( -4.674 -23.548 2.864) 24.178 9.776 ( -12.760 1.351 6.392) 14.335 9.854 ( -13.384 4.674 2.720) 14.435 10.749 ( -1.532 17.241 13.991) 22.257 10.925 ( 18.726 -0.407 -2.273) 18.868 11.189 ( 4.406 0.588 -13.940) 14.631 11.501 ( -5.561 13.171 -13.782) 19.858 11.674 ( 3.428 17.592 -6.385) 19.026 11.832 ( -4.710 6.409 39.555) 40.346 12.100 ( -6.778 18.113 -10.193) 21.861 12.254 ( 12.485 5.455 1.142) 13.673 12.970 ( -11.452 -0.710 -0.031) 11.474 13.189 ( -7.499 4.065 7.602) 11.426 13.807 ( 0.251 -2.160 21.766) 21.874 15.715 ( 6.560 0.343 -31.176) 31.861 16.337 ( 17.124 -4.721 -26.419) 31.835 17.834 ( -3.309 -5.322 27.123) 27.838 18.969 ( -16.964 -16.074 6.787) 24.336 19.511 ( 0.889 0.545 -12.584) 12.627 19.965 ( -6.173 -5.772 -0.855) 8.494 ======================= Grid point 355 (171/312) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( -4.281 4.403 17.235) 18.296 4.153 ( -5.500 8.446 7.337) 12.467 4.239 ( 19.208 6.696 20.529) 28.900 4.573 ( 18.917 8.156 27.303) 34.203 5.063 ( 13.960 2.338 -24.115) 27.962 5.176 ( -17.589 -1.215 32.736) 37.182 6.276 ( -11.552 -0.013 -2.899) 11.910 6.388 ( -10.068 -9.297 -4.040) 14.287 6.699 ( 4.549 -6.354 -9.488) 12.292 7.054 ( 4.739 -7.075 -4.869) 9.810 7.429 ( 3.843 2.469 -4.346) 6.305 7.860 ( 7.824 -5.588 -0.988) 9.666 8.073 ( -2.881 -12.868 7.340) 15.092 8.259 ( 10.302 8.066 6.735) 14.716 8.536 ( 4.142 2.506 0.413) 4.859 8.786 ( -5.543 0.754 8.702) 10.345 9.384 ( -8.396 -17.585 -3.040) 19.723 9.524 ( -13.154 12.829 11.346) 21.595 9.705 ( -5.478 -5.893 2.634) 8.466 10.703 ( -7.172 19.400 14.302) 25.147 11.086 ( -0.545 4.689 -18.358) 18.955 11.398 ( 14.392 3.860 -0.449) 14.907 11.413 ( 5.183 1.008 -13.394) 14.397 11.767 ( 6.167 20.155 0.279) 21.080 11.848 ( -5.301 11.086 31.385) 33.705 11.920 ( -7.237 15.890 1.450) 17.521 12.436 ( 2.836 0.910 -1.664) 3.412 12.773 ( -6.091 0.879 1.935) 6.451 13.096 ( -4.781 5.629 7.381) 10.441 13.877 ( -1.365 -2.327 24.387) 24.536 15.728 ( 5.954 2.101 -31.875) 32.495 16.501 ( 7.932 -7.382 -27.663) 29.710 17.932 ( 4.019 -5.163 30.638) 31.329 18.707 ( -11.710 -13.862 6.521) 19.282 19.504 ( 2.334 -1.941 -12.138) 12.512 19.836 ( -6.157 -6.203 -3.514) 9.419 ======================= Grid point 356 (172/312) ======================= q-point: (-0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( -5.566 2.431 18.562) 19.531 3.932 ( -15.131 10.924 6.164) 19.655 4.691 ( 15.711 4.521 25.501) 30.291 4.871 ( -17.979 1.183 23.856) 29.896 5.088 ( 16.795 5.828 31.975) 36.585 5.364 ( 21.332 1.418 -13.135) 25.092 5.888 ( -24.654 -0.746 -6.723) 25.566 6.166 ( -8.785 -12.694 -4.990) 16.223 6.735 ( 1.455 -9.284 -11.234) 14.646 7.115 ( 3.787 -3.902 -7.056) 8.908 7.339 ( -7.227 -3.598 -13.001) 15.304 7.821 ( -7.804 -16.833 7.412) 19.980 8.119 ( 4.694 6.673 -9.820) 12.767 8.520 ( 2.822 5.746 14.608) 15.949 8.641 ( -1.080 1.832 4.205) 4.712 8.799 ( 9.437 -1.325 3.384) 10.113 9.272 ( 0.335 -12.667 -2.001) 12.828 9.455 ( 4.553 17.996 17.036) 25.196 9.617 ( -4.679 -4.493 1.509) 6.660 10.564 ( -11.081 19.162 9.706) 24.170 11.035 ( 3.192 3.884 -13.333) 14.249 11.351 ( -6.790 2.191 -9.874) 12.182 11.603 ( 3.878 13.930 -1.423) 14.529 11.769 ( 4.980 14.593 -5.872) 16.500 11.872 ( -5.809 8.607 34.033) 35.582 12.115 ( 18.554 7.570 6.368) 21.026 12.269 ( -15.009 -2.770 -4.419) 15.889 12.825 ( 6.828 2.813 3.121) 8.017 13.044 ( -2.893 7.958 4.809) 9.737 13.907 ( -4.862 -1.676 26.892) 27.379 15.732 ( 5.655 2.180 -31.834) 32.406 16.443 ( -3.551 -7.294 -27.650) 28.815 18.179 ( 7.964 -6.307 31.567) 33.161 18.587 ( -1.206 -13.344 6.571) 14.923 19.514 ( 2.876 -2.923 -11.325) 12.045 19.715 ( -4.190 -5.651 -6.757) 9.754 ======================= Grid point 357 (173/312) ======================= q-point: (-0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( -9.269 -1.365 20.662) 22.687 3.658 ( -15.241 16.129 11.411) 24.953 4.450 ( -31.243 2.422 18.728) 36.507 5.004 ( 5.949 -0.900 18.555) 19.506 5.317 ( -19.777 -1.136 13.922) 24.213 5.600 ( 14.837 5.851 13.760) 21.064 5.724 ( 14.130 4.957 -1.992) 15.106 6.067 ( 2.487 -15.046 -4.943) 16.031 6.650 ( -5.889 -8.622 -13.808) 17.311 7.119 ( -3.469 -7.523 -10.023) 13.003 7.191 ( 1.825 4.469 -12.018) 12.952 7.730 ( -5.703 -14.945 15.554) 22.312 8.125 ( 0.327 10.452 -12.109) 15.999 8.419 ( -11.944 -3.144 2.202) 12.546 8.638 ( -1.580 8.316 15.861) 17.979 8.917 ( 2.889 -2.141 -2.718) 4.508 9.391 ( 4.052 -13.190 0.511) 13.808 9.557 ( 4.169 2.255 3.141) 5.686 9.793 ( 18.176 15.923 13.425) 27.643 10.379 ( -9.758 18.597 7.134) 22.180 11.107 ( 6.471 -3.950 -11.146) 13.480 11.155 ( -8.266 5.254 -1.039) 9.849 11.648 ( 0.073 18.415 2.187) 18.545 11.833 ( -2.676 3.591 10.025) 10.980 11.904 ( -8.019 3.156 -5.591) 10.272 11.978 ( 0.596 6.570 12.081) 13.765 12.462 ( 13.399 5.638 0.987) 14.570 12.966 ( 5.540 3.098 2.387) 6.781 13.034 ( 2.212 8.276 2.823) 9.020 13.862 ( -9.465 -0.624 28.243) 29.794 15.730 ( 5.095 0.915 -31.192) 31.619 16.218 ( -8.826 -5.749 -27.690) 29.626 18.290 ( -5.087 -8.492 21.876) 24.012 18.819 ( 18.956 -14.178 16.245) 28.710 19.535 ( 2.475 -3.455 -11.529) 12.287 19.648 ( 1.315 -2.697 -8.172) 8.705 ======================= Grid point 358 (174/312) ======================= q-point: (-0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( -17.499 -1.291 22.405) 28.458 3.437 ( -14.675 12.220 16.073) 24.961 3.816 ( -34.325 13.196 8.139) 37.664 4.867 ( -19.655 -3.259 30.075) 36.075 5.226 ( -1.062 4.184 16.231) 16.796 5.772 ( 2.334 -5.239 -17.868) 18.766 5.939 ( 5.628 -2.101 -0.173) 6.010 6.263 ( 12.299 -4.998 16.192) 20.939 6.510 ( 0.738 -1.291 -8.871) 8.994 7.063 ( 1.963 -7.634 -8.615) 11.677 7.206 ( 1.703 5.669 -11.499) 12.933 7.678 ( -7.110 -9.386 22.446) 25.347 8.064 ( -2.799 7.537 -12.192) 14.604 8.200 ( -8.531 0.011 0.443) 8.542 8.673 ( -1.055 9.943 20.389) 22.709 8.994 ( 7.040 -4.484 -2.010) 8.585 9.307 ( -6.512 -5.723 -2.792) 9.108 9.826 ( 14.272 -3.243 5.895) 15.778 10.044 ( 2.552 11.692 2.991) 12.335 10.310 ( 1.301 18.475 11.177) 21.632 11.030 ( -4.207 0.300 -0.980) 4.330 11.184 ( 1.706 -0.118 -5.175) 5.451 11.444 ( -14.906 -2.444 -4.260) 15.694 11.775 ( -4.043 9.209 25.357) 27.279 11.894 ( 5.418 6.184 -11.506) 14.142 12.165 ( 11.711 9.961 0.285) 15.377 12.583 ( -0.552 11.009 -1.645) 11.145 13.078 ( 7.093 6.470 1.249) 9.682 13.161 ( 7.837 2.163 2.783) 8.593 13.736 ( -12.931 0.295 27.870) 30.725 15.702 ( 1.534 -3.845 -28.971) 29.266 15.964 ( -5.736 -0.709 -29.121) 29.689 18.230 ( -7.322 -8.987 18.565) 21.887 19.256 ( 16.925 -19.884 14.248) 29.746 19.514 ( 1.168 -3.259 -13.072) 13.523 19.770 ( 13.757 2.746 -3.853) 14.548 ======================= Grid point 359 (175/312) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -23.632 3.256 22.907) 33.073 2.969 ( -31.203 10.304 15.224) 36.216 3.499 ( -7.804 22.074 20.117) 30.869 4.644 ( -15.840 0.054 42.969) 45.795 5.191 ( -6.287 2.111 4.569) 8.053 5.703 ( -1.059 -4.710 -23.770) 24.256 5.881 ( -3.577 1.346 -18.185) 18.582 6.535 ( 6.422 -5.276 23.092) 24.543 6.659 ( 11.189 -3.649 2.424) 12.016 7.099 ( 1.539 -5.017 -4.876) 7.163 7.181 ( 2.193 0.235 -10.875) 11.096 7.595 ( -8.297 -1.518 21.169) 22.788 7.953 ( -3.789 3.351 -7.169) 8.774 8.129 ( 0.444 5.884 -0.332) 5.910 8.752 ( 1.857 6.514 22.974) 23.952 9.143 ( 0.803 -0.801 1.226) 1.670 9.205 ( 3.167 -7.470 -0.638) 8.139 9.915 ( -2.336 6.448 -2.672) 7.360 10.201 ( 11.185 0.545 9.800) 14.881 10.381 ( -0.870 13.527 12.299) 18.303 10.816 ( -15.355 3.202 -5.399) 16.589 11.193 ( 1.376 1.540 3.006) 3.647 11.304 ( 0.202 -8.649 -5.741) 10.383 11.779 ( -3.776 10.239 21.155) 23.804 11.932 ( 1.563 6.036 -12.228) 13.726 12.404 ( 13.043 1.495 -9.682) 16.313 12.489 ( -7.239 19.721 0.539) 21.014 13.224 ( 6.735 5.138 1.446) 8.594 13.321 ( 7.314 2.632 0.288) 7.778 13.576 ( -12.085 0.371 27.212) 29.777 15.568 ( -4.400 -9.785 -24.937) 27.147 15.850 ( 3.698 6.015 -31.816) 32.590 18.145 ( -7.740 -8.855 18.167) 21.641 19.413 ( 1.027 -9.437 -10.110) 13.868 19.609 ( 9.267 -12.150 2.313) 15.454 20.131 ( 21.095 -0.413 -0.469) 21.104 ======================= Grid point 360 (176/312) ======================= q-point: (-0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -16.802 11.179 27.308) 33.956 2.619 ( -13.446 20.235 28.922) 37.772 3.447 ( -5.769 16.613 20.826) 27.258 4.548 ( -9.902 2.686 48.792) 49.859 5.039 ( -8.666 1.353 -4.109) 9.686 5.608 ( -0.340 5.119 -21.499) 22.102 5.748 ( -2.204 2.944 -26.923) 27.173 6.636 ( -4.777 -6.734 21.895) 23.400 6.790 ( 1.891 -3.804 -2.996) 5.198 7.106 ( 3.119 -8.318 -2.715) 9.289 7.237 ( 2.586 -5.884 2.387) 6.856 7.566 ( 0.525 4.401 12.312) 13.085 7.872 ( -1.676 0.764 -9.117) 9.301 8.213 ( 6.628 2.206 7.511) 10.257 8.863 ( -0.263 2.436 12.887) 13.118 9.055 ( -4.130 3.865 9.066) 10.686 9.358 ( 4.986 -7.359 6.757) 11.166 9.907 ( 2.913 8.892 -0.661) 9.380 10.266 ( -13.683 1.082 7.421) 15.603 10.395 ( 4.909 4.877 9.203) 11.514 10.674 ( 3.143 5.561 5.773) 8.610 11.198 ( -0.497 -1.178 -3.803) 4.012 11.332 ( 1.688 -2.994 3.217) 4.708 11.769 ( -2.371 13.874 6.587) 15.540 11.868 ( -3.046 4.435 -14.104) 15.095 12.311 ( -11.155 14.101 7.874) 19.628 12.579 ( 7.477 3.122 -15.813) 17.768 13.335 ( 3.214 3.513 4.394) 6.479 13.382 ( -1.091 3.752 0.375) 3.925 13.533 ( -0.133 1.229 21.126) 21.162 15.438 ( 0.451 -9.778 -23.115) 25.102 15.840 ( 5.850 7.328 -32.223) 33.560 18.056 ( -7.682 -8.526 18.316) 21.614 19.384 ( 0.746 -5.592 -12.904) 14.083 19.780 ( 6.944 -13.105 4.017) 15.365 20.448 ( 10.373 -5.188 -6.834) 13.462 ======================= Grid point 361 (177/312) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 9.260 24.419 29.783) 39.611 3.051 ( 1.047 20.626 25.596) 32.889 3.783 ( -6.221 23.168 14.122) 27.837 4.755 ( 4.921 9.895 31.135) 33.038 4.974 ( -5.386 8.023 -2.407) 9.959 5.663 ( -2.606 4.265 -19.540) 20.169 5.752 ( 4.895 5.407 -14.265) 16.021 6.485 ( -8.089 -0.303 22.795) 24.190 6.720 ( -0.252 -4.460 -9.084) 10.123 6.899 ( 2.255 -12.384 -0.976) 12.625 7.144 ( 1.781 -9.812 -0.440) 9.982 7.668 ( -0.765 0.385 1.384) 1.628 7.793 ( -5.707 1.457 -1.865) 6.178 8.248 ( -1.712 -7.532 3.448) 8.458 8.769 ( -7.249 1.583 -0.435) 7.433 9.244 ( 4.492 -0.442 8.984) 10.054 9.399 ( -4.147 10.837 19.217) 22.448 9.956 ( -3.364 -4.723 4.999) 7.655 10.299 ( 3.467 11.356 0.059) 11.874 10.528 ( 9.345 -1.825 5.462) 10.977 10.916 ( 0.150 6.267 -5.988) 8.669 11.192 ( -3.395 -4.105 2.853) 6.043 11.372 ( 5.113 1.382 -3.114) 6.144 11.706 ( -4.918 4.824 4.041) 7.987 12.206 ( -4.278 16.541 21.331) 27.330 12.310 ( -3.033 8.904 -6.786) 11.599 12.792 ( -5.173 19.679 1.823) 20.429 13.356 ( -3.577 1.249 9.312) 10.054 13.516 ( 0.068 6.610 -0.087) 6.611 13.706 ( 1.237 7.183 10.188) 12.527 15.215 ( 7.021 -13.146 -19.775) 24.762 16.023 ( 7.614 7.946 -31.064) 32.956 17.759 ( -6.713 -13.021 18.974) 23.971 19.141 ( -1.700 -17.570 -1.332) 17.702 19.652 ( 3.963 -8.224 -7.767) 11.986 20.308 ( -2.099 -9.534 -17.679) 20.195 ======================= Grid point 362 (178/312) ======================= q-point: ( 0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 15.606 21.054 27.060) 37.670 3.208 ( 5.689 15.012 25.419) 30.064 3.761 ( -0.427 22.616 15.642) 27.502 4.797 ( -6.307 12.596 -12.127) 18.588 5.069 ( 12.337 9.199 25.570) 29.844 5.529 ( -4.256 7.100 -21.774) 23.295 5.832 ( 7.735 9.521 -1.699) 12.384 6.380 ( -9.081 3.069 22.055) 24.048 6.678 ( -1.384 -8.977 -4.808) 10.277 6.947 ( 1.133 -10.040 0.168) 10.105 7.156 ( -0.213 -9.125 -1.565) 9.261 7.679 ( -3.880 -2.175 -1.453) 4.680 7.744 ( 7.863 -9.973 -2.960) 13.040 8.135 ( -9.377 -9.399 0.584) 13.290 8.690 ( -1.891 0.564 4.174) 4.617 9.293 ( -9.915 8.107 14.727) 19.517 9.322 ( -2.234 -1.321 9.473) 9.822 9.935 ( -2.902 -2.052 8.439) 9.157 10.379 ( 4.905 10.777 0.071) 11.841 10.609 ( -5.944 -2.132 1.361) 6.459 10.882 ( 1.636 2.450 -12.752) 13.088 11.207 ( 5.236 -0.214 6.253) 8.159 11.501 ( 9.038 4.031 -0.746) 9.924 11.691 ( 1.822 4.682 4.587) 6.803 12.163 ( -4.740 10.612 7.639) 13.909 12.265 ( -2.404 21.844 11.250) 24.688 12.717 ( -2.999 21.723 0.700) 21.940 13.301 ( -5.186 0.705 4.684) 7.024 13.499 ( -2.352 6.023 2.710) 7.011 13.725 ( -2.750 4.787 12.593) 13.750 15.335 ( 11.987 -13.509 -20.397) 27.243 16.071 ( 8.200 7.500 -31.028) 32.958 17.701 ( -5.842 -12.281 19.416) 23.706 19.060 ( -7.180 -19.249 2.065) 20.648 19.652 ( -0.831 -6.780 -10.491) 12.519 20.142 ( -7.691 -6.672 -13.952) 17.272 ======================= Grid point 363 (179/312) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( 2.021 9.304 20.827) 22.900 3.530 ( 18.925 18.075 20.750) 33.398 3.898 ( 7.725 18.767 22.944) 30.631 4.632 ( -4.646 14.192 -15.070) 21.215 5.323 ( 3.704 -0.433 10.271) 10.927 5.350 ( -5.980 8.143 -20.978) 23.284 6.097 ( 16.402 14.537 17.243) 27.887 6.320 ( -3.935 -0.175 17.533) 17.970 6.622 ( -2.817 -10.956 -7.614) 13.635 6.930 ( -2.505 -8.344 0.799) 8.748 7.172 ( 4.199 -2.092 0.527) 4.721 7.599 ( -3.468 -9.453 -3.787) 10.758 7.929 ( 7.287 -8.815 -2.251) 11.656 7.982 ( -2.297 -10.118 1.725) 10.518 8.676 ( -2.420 -0.811 4.636) 5.293 9.071 ( -15.178 3.107 9.399) 18.121 9.276 ( -5.782 -6.794 3.801) 9.697 9.858 ( -7.720 -1.424 6.156) 9.976 10.349 ( -12.483 9.696 3.302) 16.148 10.565 ( 11.004 -3.915 -4.929) 12.677 10.939 ( 7.658 6.967 -9.725) 14.204 11.344 ( 2.965 13.879 12.247) 18.746 11.680 ( 7.093 5.946 -2.291) 9.535 11.781 ( 5.176 -0.477 8.326) 9.815 12.098 ( -2.731 17.753 -1.085) 17.994 12.293 ( -0.140 18.083 23.541) 29.685 12.666 ( -2.672 25.164 -2.542) 25.433 13.173 ( -9.111 0.615 1.852) 9.317 13.435 ( -5.538 8.918 5.494) 11.848 13.719 ( -2.278 0.478 16.492) 16.655 15.518 ( 13.480 -11.566 -21.693) 28.037 16.136 ( 9.446 3.366 -30.356) 31.970 17.669 ( -4.246 -11.253 20.045) 23.377 18.867 ( -14.017 -21.255 6.516) 26.281 19.568 ( -2.266 -2.982 -15.521) 15.967 19.962 ( -6.700 -7.633 -9.075) 13.620 ======================= Grid point 364 (180/312) ======================= q-point: ( 0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( -1.879 8.559 16.627) 18.795 4.003 ( 22.783 16.762 16.506) 32.748 4.172 ( 9.978 10.415 26.015) 29.746 4.550 ( 1.579 13.152 -8.822) 15.916 5.168 ( -3.893 8.266 -19.582) 21.609 5.305 ( -8.899 -4.256 15.596) 18.454 6.280 ( -8.413 -10.076 8.496) 15.636 6.395 ( 6.219 0.938 2.405) 6.733 6.571 ( 1.964 -5.377 -3.822) 6.883 6.873 ( -2.211 -5.853 -4.681) 7.814 7.352 ( 6.841 1.806 6.217) 9.419 7.562 ( 5.734 -8.788 3.782) 11.154 7.893 ( -1.815 -8.692 0.469) 8.892 8.162 ( 12.128 -4.838 -2.970) 13.391 8.577 ( -7.771 1.200 0.523) 7.881 8.850 ( -9.222 -7.317 7.758) 14.099 9.141 ( -7.260 -10.230 -6.079) 13.939 9.714 ( -7.457 -1.039 4.745) 8.900 10.130 ( -11.945 16.504 9.633) 22.536 10.850 ( 18.253 -3.633 -4.012) 19.039 11.087 ( 8.880 12.631 -3.897) 15.924 11.398 ( -0.124 20.276 11.117) 23.124 11.654 ( -6.708 3.164 -4.072) 8.461 11.955 ( 7.529 9.372 6.536) 13.684 12.065 ( -3.363 15.878 17.149) 23.611 12.414 ( 4.477 10.859 11.729) 16.600 12.566 ( -6.377 26.428 -4.823) 27.611 12.977 ( -10.750 2.169 1.464) 11.064 13.350 ( -5.122 13.436 9.461) 17.213 13.754 ( -0.494 -2.679 19.150) 19.343 15.680 ( 10.688 -5.429 -24.412) 27.197 16.231 ( 10.214 -5.234 -28.207) 30.453 17.683 ( -1.130 -9.948 21.115) 23.369 18.594 ( -15.623 -21.073 8.254) 27.501 19.486 ( -0.321 -2.819 -17.121) 17.355 19.811 ( -6.225 -9.624 -7.762) 13.842 ======================= Grid point 365 (181/312) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( -4.561 9.075 15.423) 18.468 4.305 ( -2.651 9.594 4.444) 10.901 4.484 ( 18.508 14.697 16.415) 28.775 4.747 ( 17.019 8.509 21.616) 28.798 5.132 ( 2.142 2.855 -5.148) 6.264 5.137 ( -7.884 -1.410 9.972) 12.790 6.053 ( -13.943 -15.034 -1.411) 20.553 6.379 ( -14.073 0.500 -6.862) 15.665 6.510 ( 0.210 -13.025 -8.411) 15.506 6.887 ( 4.477 -9.119 -1.663) 10.293 7.328 ( -4.827 -9.111 1.569) 10.430 7.678 ( -6.284 -12.367 -1.239) 13.927 8.014 ( 15.740 1.962 -6.098) 16.994 8.444 ( 16.365 6.610 9.680) 20.130 8.540 ( 6.540 -1.812 -0.044) 6.787 8.723 ( -7.074 -6.355 5.758) 11.117 8.976 ( -5.743 -14.780 -11.992) 19.881 9.643 ( -1.456 4.699 5.679) 7.513 9.951 ( -10.425 22.614 15.719) 29.448 11.129 ( 6.730 3.405 1.465) 7.684 11.184 ( -0.656 22.520 1.379) 22.571 11.443 ( -1.836 2.575 -3.154) 4.466 11.562 ( 9.134 12.614 -2.428) 15.762 12.040 ( -5.715 11.171 38.177) 40.186 12.107 ( 3.092 11.051 -0.193) 11.477 12.341 ( -9.213 16.054 -5.638) 19.350 12.496 ( -5.242 11.437 0.641) 12.597 12.852 ( -0.583 8.871 5.644) 10.531 13.312 ( -2.361 17.306 9.727) 19.992 13.816 ( -0.683 -3.536 22.032) 22.324 15.760 ( 6.816 -0.140 -27.206) 28.047 16.304 ( 5.592 -11.983 -26.364) 29.495 17.789 ( 4.951 -9.384 22.533) 24.906 18.354 ( -11.480 -21.030 8.431) 25.400 19.439 ( 1.382 -4.602 -16.820) 17.493 19.670 ( -5.118 -10.265 -9.034) 14.600 ======================= Grid point 366 (182/312) ======================= q-point: (-0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( -7.137 8.579 16.053) 19.551 4.177 ( -9.768 13.419 1.407) 16.657 4.813 ( 4.642 7.144 30.327) 31.501 4.890 ( -13.912 0.510 20.544) 24.817 5.185 ( 16.502 2.729 7.815) 18.462 5.438 ( 25.182 6.078 -0.083) 25.905 5.753 ( -15.635 -14.544 -10.330) 23.721 5.964 ( -19.100 -5.266 -5.125) 20.465 6.502 ( -0.348 -14.319 -8.358) 16.583 6.976 ( 4.374 -9.107 -0.982) 10.151 7.207 ( -7.273 -8.174 -3.772) 11.573 7.524 ( -5.539 -13.010 -1.543) 14.224 8.231 ( 10.470 1.239 -17.515) 20.443 8.530 ( -7.946 -6.206 3.377) 10.633 8.693 ( 4.545 2.248 2.574) 5.687 8.865 ( 6.188 -22.925 -11.518) 26.391 8.901 ( 10.258 14.982 13.219) 22.460 9.673 ( 0.860 9.157 4.500) 10.239 9.907 ( 2.712 25.347 20.906) 32.969 11.029 ( -12.121 21.978 0.313) 25.101 11.149 ( -2.107 10.664 2.609) 11.179 11.407 ( -2.285 3.329 -6.762) 7.875 11.840 ( 13.385 10.896 2.961) 17.511 12.033 ( -9.880 6.601 7.491) 14.046 12.065 ( -3.775 9.674 31.863) 33.513 12.197 ( -10.901 1.162 -1.466) 11.060 12.411 ( 6.856 19.132 -4.773) 20.877 12.944 ( 5.439 11.025 6.037) 13.696 13.311 ( -0.963 19.593 7.419) 20.972 13.861 ( -3.296 -2.854 24.694) 25.076 15.769 ( 3.879 0.368 -27.852) 28.124 16.244 ( -2.179 -12.315 -26.547) 29.345 18.014 ( 7.156 -10.188 24.238) 27.249 18.231 ( -1.695 -22.129 7.724) 23.500 19.426 ( 3.032 -5.972 -16.398) 17.713 19.564 ( -1.763 -9.354 -11.163) 14.670 ======================= Grid point 367 (183/312) ======================= q-point: (-0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( -10.154 8.006 17.900) 22.082 3.964 ( -13.854 14.145 5.553) 20.563 4.540 ( -24.009 7.140 21.863) 33.248 4.981 ( -4.276 -1.382 12.545) 13.325 5.282 ( -6.927 -2.753 10.856) 13.169 5.629 ( 10.964 -6.767 -5.608) 14.052 5.698 ( -6.842 -11.421 -7.881) 15.472 5.975 ( 23.071 13.065 13.777) 29.879 6.436 ( -2.324 -12.813 -10.006) 16.422 6.964 ( -4.694 -7.868 -5.370) 10.620 7.162 ( 5.996 -8.242 -1.982) 10.383 7.463 ( -1.861 -10.389 1.939) 10.732 8.265 ( -2.706 -4.527 -9.066) 10.489 8.402 ( -4.098 7.431 -5.628) 10.183 8.748 ( 3.543 -7.014 -4.221) 8.920 8.860 ( -1.753 2.374 5.005) 5.810 9.183 ( 10.318 -1.635 5.087) 11.620 9.685 ( 0.574 10.770 3.157) 11.238 10.165 ( 12.391 20.764 14.819) 28.360 10.820 ( -8.254 21.890 1.221) 23.426 11.123 ( -0.664 7.468 -0.801) 7.540 11.267 ( -8.951 5.591 -0.056) 10.554 11.789 ( -18.492 -5.104 2.564) 19.355 11.971 ( -9.029 8.111 19.689) 23.130 12.047 ( 6.738 15.456 1.484) 16.926 12.157 ( 3.392 8.239 12.349) 15.228 12.650 ( 14.815 13.565 -0.275) 20.090 13.070 ( 5.674 9.042 4.686) 11.659 13.319 ( -0.258 20.493 4.853) 21.062 13.843 ( -7.533 -1.289 25.729) 26.840 15.714 ( -0.852 -4.585 -25.927) 26.343 16.082 ( -3.222 -6.769 -28.857) 29.815 18.053 ( -6.008 -15.424 16.993) 23.722 18.469 ( 16.478 -20.369 14.922) 30.152 19.429 ( 2.574 -6.945 -16.771) 18.334 19.563 ( 6.770 -6.197 -12.201) 15.268 ======================= Grid point 368 (184/312) ======================= q-point: (-0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( -13.289 9.762 19.249) 25.346 3.623 ( -24.621 8.579 9.578) 27.776 4.185 ( -15.732 21.886 12.821) 29.847 4.796 ( -13.616 -3.425 17.757) 22.637 5.298 ( -2.481 1.889 17.789) 18.060 5.582 ( -0.575 -14.906 -12.782) 19.644 5.801 ( 5.854 -8.488 -4.905) 11.418 6.344 ( 7.815 7.819 8.699) 14.067 6.424 ( 7.025 -3.890 -6.586) 10.385 6.909 ( 2.170 -7.357 -4.823) 9.061 7.285 ( 3.817 0.787 -9.382) 10.159 7.471 ( 1.670 -11.044 18.363) 21.494 8.164 ( -5.663 -3.025 4.101) 7.618 8.268 ( -5.323 12.106 -13.365) 18.802 8.816 ( 4.371 -11.200 -6.568) 13.700 8.905 ( 4.587 9.902 12.895) 16.893 9.251 ( -3.707 1.220 -1.750) 4.277 9.790 ( 9.282 1.120 1.382) 9.450 10.322 ( -0.329 15.670 3.704) 16.105 10.742 ( -2.979 20.254 4.815) 21.031 11.071 ( -4.438 5.901 -0.565) 7.405 11.180 ( 0.742 0.472 -0.199) 0.902 11.421 ( -17.504 0.695 3.026) 17.777 11.904 ( -5.775 4.679 21.050) 22.323 12.168 ( 4.541 17.214 6.544) 18.968 12.255 ( 2.838 2.592 5.678) 6.857 12.896 ( 9.022 17.152 -0.578) 19.388 13.205 ( 7.050 5.648 5.557) 10.606 13.346 ( 2.045 18.973 2.345) 19.227 13.744 ( -11.185 0.444 24.119) 26.590 15.547 ( -6.985 -12.102 -23.270) 27.143 15.976 ( 2.908 1.514 -31.096) 31.269 17.985 ( -6.755 -15.456 16.706) 23.741 18.822 ( 13.623 -23.785 12.437) 30.100 19.428 ( 3.840 -5.213 -17.281) 18.455 19.745 ( 15.688 -4.927 -11.434) 20.027 ======================= Grid point 369 (185/312) ======================= q-point: (-0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -16.925 14.778 18.590) 29.162 3.194 ( -19.903 13.133 17.130) 29.361 4.005 ( -9.384 26.889 14.502) 31.959 4.648 ( -9.400 0.765 27.950) 29.498 5.220 ( -7.709 -0.731 3.696) 8.580 5.605 ( 5.707 -6.098 -9.764) 12.849 5.830 ( 0.439 -6.178 -9.066) 10.980 6.450 ( 3.122 -3.257 6.580) 7.979 6.558 ( 6.511 -4.725 -2.558) 8.441 6.999 ( 6.734 -5.351 -2.885) 9.072 7.192 ( -7.062 0.435 -13.178) 14.957 7.625 ( 2.260 4.163 29.813) 30.187 8.008 ( -8.308 3.063 -5.286) 10.313 8.236 ( 2.617 4.316 -3.464) 6.122 8.875 ( 2.839 0.296 2.879) 4.054 9.079 ( 4.758 1.585 10.462) 11.602 9.152 ( 0.055 1.152 -2.177) 2.463 9.967 ( 7.544 -1.630 -3.006) 8.282 10.285 ( -1.569 7.994 1.808) 8.345 10.581 ( -14.593 3.657 1.422) 15.112 10.991 ( -4.418 11.399 -1.861) 12.366 11.206 ( 2.252 6.152 2.890) 7.160 11.259 ( -1.708 1.622 4.997) 5.524 11.873 ( -4.707 2.431 17.243) 18.039 12.223 ( -2.647 18.992 13.594) 23.506 12.335 ( 5.078 -3.026 -3.401) 6.820 12.963 ( -1.199 21.406 -0.151) 21.441 13.388 ( 8.385 4.178 5.612) 10.921 13.408 ( 3.136 14.673 2.213) 15.166 13.599 ( -10.055 2.538 19.265) 21.879 15.337 ( -5.693 -13.860 -21.648) 26.328 15.962 ( 6.043 4.966 -31.279) 32.242 17.908 ( -7.129 -14.590 17.612) 23.956 19.052 ( 6.893 -23.782 5.710) 25.410 19.473 ( 6.501 -4.127 -14.770) 16.656 20.050 ( 18.186 -7.567 -12.391) 23.270 ======================= Grid point 370 (186/312) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -8.520 22.205 24.119) 33.873 3.017 ( -6.796 19.566 23.725) 31.494 3.882 ( -8.633 25.067 15.022) 30.472 4.628 ( -3.216 5.773 33.169) 33.821 5.086 ( -5.902 2.566 -1.284) 6.562 5.688 ( 5.649 1.506 -10.665) 12.162 5.774 ( -1.351 -1.346 -17.365) 17.470 6.506 ( -1.237 -6.364 15.261) 16.581 6.678 ( 6.494 -6.423 -3.665) 9.842 6.984 ( -8.372 -3.308 -10.698) 13.981 7.097 ( 3.712 -7.126 -1.389) 8.154 7.699 ( -2.886 10.777 13.881) 17.809 7.886 ( -3.992 -1.362 2.316) 4.812 8.242 ( -0.115 1.570 -2.164) 2.676 8.902 ( -3.994 1.407 2.144) 4.746 9.113 ( 5.051 -1.231 2.532) 5.783 9.316 ( 5.434 6.487 18.303) 20.164 10.032 ( -0.839 2.319 -3.980) 4.683 10.273 ( -1.742 -8.070 -3.640) 9.023 10.381 ( -0.475 6.879 9.139) 11.448 10.929 ( -1.194 11.645 -1.045) 11.753 11.241 ( -2.252 -1.924 3.721) 4.756 11.290 ( 4.431 6.477 -0.231) 7.851 11.811 ( -6.653 0.916 9.316) 11.484 12.208 ( -3.089 20.190 15.297) 25.518 12.376 ( -0.268 -1.836 -4.533) 4.898 12.893 ( -5.330 21.438 1.204) 22.124 13.404 ( -5.307 2.984 12.904) 14.269 13.499 ( 2.044 7.303 -2.440) 7.966 13.606 ( 4.623 8.216 11.546) 14.905 15.210 ( 0.317 -13.260 -20.183) 24.151 15.986 ( 7.131 6.767 -31.123) 32.639 17.830 ( -7.121 -13.738 18.429) 24.064 19.142 ( 1.983 -19.619 -0.347) 19.722 19.569 ( 7.032 -6.426 -9.783) 13.654 20.292 ( 10.178 -10.565 -16.320) 21.944 ======================= Grid point 371 (187/312) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 8.165 27.309 23.086) 36.679 3.414 ( -0.438 17.397 19.099) 25.838 4.205 ( -6.187 18.402 19.045) 27.196 4.952 ( 9.585 7.881 7.524) 14.512 5.106 ( -0.069 5.972 -0.328) 5.982 5.680 ( 2.072 -3.208 -14.636) 15.126 5.770 ( 5.821 -4.049 8.189) 10.833 6.422 ( 1.991 -9.319 11.693) 15.084 6.691 ( -4.673 2.816 -4.476) 7.057 6.744 ( -1.724 -2.292 -9.387) 9.815 6.983 ( -0.506 -4.388 -8.476) 9.557 7.616 ( -5.941 -5.855 -6.127) 10.350 7.958 ( -10.736 13.560 8.514) 19.278 8.134 ( -7.526 -2.495 -4.988) 9.367 8.799 ( -6.980 2.736 2.871) 8.028 9.257 ( 5.843 2.849 6.060) 8.887 9.646 ( -6.864 10.477 8.756) 15.282 9.853 ( 3.570 -3.531 7.250) 8.819 10.329 ( 10.168 -5.731 0.200) 11.674 10.677 ( 3.332 12.483 6.461) 14.446 10.825 ( -0.647 -12.610 -15.825) 20.245 11.086 ( -4.770 -5.558 2.413) 7.712 11.387 ( 0.343 -0.240 2.327) 2.365 11.802 ( -1.048 -0.032 5.197) 5.302 12.488 ( -3.146 18.167 15.078) 23.818 12.599 ( -2.844 16.592 27.488) 32.233 13.174 ( -4.460 17.788 7.962) 19.992 13.388 ( -4.695 2.289 11.680) 12.795 13.641 ( -0.738 5.751 0.728) 5.843 13.919 ( -0.597 14.644 6.540) 16.049 14.950 ( 5.643 -13.139 -16.176) 21.590 16.092 ( 6.497 -3.618 -23.655) 24.796 17.538 ( -5.216 -6.815 14.818) 17.123 18.731 ( -1.818 -22.782 3.147) 23.070 19.569 ( 5.777 -1.173 -21.246) 22.049 20.094 ( 1.770 -11.848 -24.964) 27.690 ======================= Grid point 372 (188/312) ======================= q-point: ( 0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( 2.433 16.091 18.103) 24.342 3.538 ( 11.493 20.883 21.289) 31.960 4.197 ( -0.722 21.090 16.631) 26.868 5.059 ( -3.706 13.357 -6.122) 15.153 5.165 ( 8.671 0.625 2.369) 9.010 5.642 ( -1.516 2.969 -13.686) 14.086 5.948 ( 9.854 0.275 11.742) 15.331 6.450 ( -5.300 -11.907 -7.136) 14.859 6.511 ( -7.016 5.979 13.053) 15.979 6.771 ( 3.909 -4.674 2.467) 6.573 6.986 ( 3.324 -7.485 -6.535) 10.477 7.542 ( 0.210 -8.917 -6.461) 11.013 7.727 ( -10.740 5.818 -0.802) 12.241 7.968 ( -9.161 -7.180 -1.567) 11.744 8.711 ( -3.604 3.049 7.037) 8.474 9.304 ( -4.453 1.521 5.362) 7.134 9.466 ( -11.855 5.457 1.588) 13.147 9.955 ( 1.849 3.910 11.603) 12.383 10.363 ( -7.198 -11.155 -1.168) 13.327 10.639 ( -4.110 3.278 -2.706) 5.913 10.894 ( 11.142 0.344 -13.731) 17.686 11.181 ( 13.301 -1.639 7.924) 15.569 11.525 ( 10.770 -0.874 5.937) 12.329 11.819 ( 1.370 4.819 2.019) 5.401 12.477 ( -3.531 20.834 17.468) 27.417 12.632 ( -3.959 17.071 29.767) 34.542 13.138 ( -2.203 18.779 7.105) 20.199 13.322 ( -6.066 1.713 7.606) 9.878 13.619 ( -1.563 5.677 1.821) 6.164 13.899 ( -3.988 14.014 9.099) 17.178 15.050 ( 10.517 -15.043 -17.033) 25.040 16.129 ( 5.371 -4.415 -23.303) 24.318 17.491 ( -4.594 -6.468 13.957) 16.055 18.649 ( -7.887 -21.869 3.625) 23.529 19.574 ( 2.114 -1.658 -21.149) 21.319 19.978 ( -4.557 -9.459 -22.547) 24.872 ======================= Grid point 373 (189/312) ======================= q-point: ( 0.20 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.535 ( 0.588 12.475 15.587) 19.973 3.881 ( 15.724 16.600 18.833) 29.622 4.289 ( 4.312 20.901 15.783) 26.543 4.937 ( -4.888 16.553 -11.715) 20.860 5.256 ( 0.201 -5.342 -0.051) 5.346 5.515 ( -7.028 7.346 -10.850) 14.868 6.176 ( 5.848 -4.581 7.477) 10.540 6.312 ( -5.930 -7.600 4.439) 10.613 6.400 ( -5.566 -9.945 -0.935) 11.435 6.892 ( 5.018 5.948 -5.403) 9.474 7.124 ( 13.113 -4.275 11.924) 18.232 7.429 ( -9.882 -7.739 -5.868) 13.856 7.699 ( 6.907 -10.683 -3.708) 13.251 7.819 ( -4.415 -6.430 2.650) 8.238 8.680 ( -3.026 2.332 7.573) 8.482 9.069 ( -17.914 -0.546 0.759) 17.938 9.270 ( -8.759 1.738 -4.803) 10.140 9.916 ( -10.081 7.173 7.464) 14.449 10.263 ( 2.318 -13.506 1.607) 13.797 10.650 ( 5.138 7.524 -1.108) 9.178 11.089 ( 12.230 8.276 -7.773) 16.688 11.480 ( 11.361 -1.691 10.813) 15.774 11.783 ( 11.274 2.329 6.216) 13.083 11.859 ( 3.172 9.990 0.738) 10.507 12.457 ( -5.532 20.003 19.471) 28.458 12.651 ( -4.298 17.449 29.669) 34.687 13.114 ( -2.898 18.761 4.359) 19.478 13.199 ( -8.351 2.375 4.708) 9.877 13.608 ( -0.392 6.512 4.920) 8.171 13.843 ( -4.926 15.611 12.170) 20.398 15.237 ( 14.453 -16.642 -17.677) 28.254 16.140 ( 3.930 -5.832 -23.275) 24.314 17.461 ( -2.871 -7.506 12.666) 15.000 18.455 ( -13.155 -20.565 4.533) 24.830 19.513 ( -0.600 -2.231 -21.823) 21.945 19.796 ( -6.356 -8.802 -18.998) 21.881 ======================= Grid point 374 (190/312) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.588 ( -0.525 12.624 13.786) 18.700 4.277 ( 18.491 10.093 17.683) 27.504 4.458 ( 7.604 18.548 13.905) 24.397 4.823 ( -1.744 14.298 -12.413) 19.015 5.192 ( -7.025 -6.261 5.960) 11.139 5.329 ( -7.661 7.580 -7.719) 13.257 6.087 ( -14.537 -10.292 6.343) 18.908 6.220 ( -0.385 -14.315 -6.809) 15.856 6.435 ( 1.857 -9.776 4.875) 11.081 6.873 ( -2.842 4.097 -17.692) 18.382 7.243 ( -5.654 -8.164 1.032) 9.984 7.444 ( 6.101 -12.446 7.279) 15.656 7.765 ( 8.291 -2.696 -3.247) 9.303 7.948 ( 12.099 -13.285 3.721) 18.350 8.608 ( -6.696 2.105 2.166) 7.346 8.800 ( -6.162 4.848 3.472) 8.575 9.057 ( -10.030 -0.989 -7.863) 12.783 9.785 ( -3.695 6.960 6.576) 10.263 10.342 ( 0.979 3.142 9.717) 10.259 10.833 ( 13.691 2.620 0.287) 13.942 11.297 ( 10.432 9.813 -1.670) 14.419 11.633 ( 0.763 0.130 5.905) 5.955 11.867 ( 1.184 18.551 5.020) 19.254 12.044 ( 8.648 0.828 6.167) 10.654 12.385 ( -8.814 17.470 21.162) 28.822 12.640 ( -7.894 11.125 22.302) 26.143 13.031 ( -7.270 14.894 0.322) 16.577 13.084 ( -2.708 13.516 7.078) 15.496 13.646 ( 1.628 9.170 9.990) 13.658 13.805 ( -3.479 16.549 13.807) 21.831 15.465 ( 14.475 -16.242 -18.133) 28.322 16.124 ( 2.632 -8.037 -23.286) 24.774 17.475 ( 0.408 -9.577 11.541) 15.003 18.195 ( -14.703 -19.137 5.619) 24.778 19.419 ( -0.949 -3.508 -22.203) 22.498 19.615 ( -5.866 -9.732 -16.954) 20.410 ======================= Grid point 375 (191/312) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.597 ( -3.387 13.921 12.653) 19.114 4.535 ( -0.093 12.965 6.873) 14.674 4.755 ( 15.221 12.774 5.594) 20.643 4.845 ( 9.128 -1.097 7.484) 11.855 5.067 ( -9.316 -1.164 23.894) 25.672 5.232 ( 4.313 5.204 -14.105) 15.641 5.791 ( -16.811 -11.806 1.951) 20.635 6.206 ( 0.143 -17.080 -8.705) 19.171 6.301 ( -16.264 -7.738 -3.560) 18.359 6.786 ( 2.544 0.498 -11.908) 12.187 7.215 ( -0.844 -2.179 2.163) 3.184 7.351 ( -9.631 -21.724 -2.778) 23.925 7.986 ( 12.445 -5.778 -14.632) 20.059 8.177 ( 8.909 -19.855 1.254) 21.799 8.546 ( 1.432 0.148 -0.375) 1.488 8.747 ( -6.302 -3.525 -4.997) 8.781 9.010 ( 10.796 20.422 11.432) 25.774 9.812 ( 2.983 11.002 8.351) 14.130 10.353 ( -3.189 16.377 15.255) 22.607 11.104 ( 10.406 -2.382 1.683) 10.807 11.448 ( 2.802 3.399 2.771) 5.204 11.602 ( -1.174 11.149 -0.326) 11.216 11.921 ( 2.523 19.989 7.015) 21.334 12.169 ( 0.972 -1.517 9.664) 9.830 12.273 ( -10.102 11.424 21.516) 26.372 12.471 ( -14.139 7.047 16.197) 22.626 12.875 ( -6.917 17.293 -3.124) 18.885 13.154 ( 4.998 20.885 10.796) 24.036 13.724 ( 1.721 14.598 13.161) 19.730 13.797 ( -2.439 12.592 14.573) 19.414 15.635 ( 8.731 -14.308 -19.368) 25.614 16.085 ( 1.492 -10.311 -23.222) 25.452 17.570 ( 5.766 -12.484 10.822) 17.498 17.954 ( -11.722 -18.313 7.194) 22.903 19.338 ( 0.591 -5.309 -22.199) 22.833 19.462 ( -3.721 -10.307 -16.884) 20.128 ======================= Grid point 376 (192/312) ======================= q-point: (-0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( -6.598 14.754 12.683) 20.545 4.438 ( -8.549 12.719 -3.033) 15.622 4.850 ( -9.127 -4.855 19.301) 21.896 4.956 ( 1.188 6.520 22.995) 23.931 5.199 ( 9.838 -0.679 1.387) 9.959 5.436 ( -11.990 -12.297 -8.779) 19.289 5.562 ( 23.074 1.790 4.951) 23.667 5.891 ( -17.021 -2.326 -6.280) 18.291 6.205 ( 0.728 -15.445 -9.032) 17.906 6.834 ( 3.590 -3.418 -6.552) 8.216 7.052 ( -10.566 -11.147 -5.545) 16.329 7.299 ( 1.702 -7.305 0.070) 7.500 8.103 ( 3.808 -12.293 -10.874) 16.849 8.313 ( 7.929 -18.311 -13.717) 24.214 8.579 ( -0.934 -2.661 -5.274) 5.981 8.693 ( 7.495 -1.383 -1.471) 7.763 9.319 ( 10.581 24.462 15.823) 30.995 9.908 ( 2.402 13.394 8.296) 15.937 10.384 ( 2.184 22.079 19.151) 29.309 11.140 ( -5.491 -0.667 -2.607) 6.115 11.421 ( -3.997 4.059 4.313) 7.146 11.621 ( -2.005 17.868 5.383) 18.769 11.972 ( -9.204 -2.449 3.824) 10.264 12.099 ( -1.026 11.144 7.040) 13.221 12.207 ( -3.856 2.192 20.889) 21.355 12.317 ( -7.491 10.257 21.901) 25.317 12.810 ( 2.797 20.784 -2.538) 21.124 13.285 ( 4.262 22.372 8.235) 24.218 13.776 ( -0.755 27.110 9.629) 28.780 13.811 ( -2.185 -1.122 20.293) 20.441 15.651 ( -0.347 -14.593 -20.292) 24.997 16.027 ( 1.088 -9.196 -24.099) 25.817 17.769 ( 7.494 -20.988 7.292) 23.449 17.808 ( -2.959 -12.975 12.042) 17.948 19.297 ( 2.788 -6.793 -22.437) 23.608 19.373 ( 1.293 -9.578 -17.680) 20.149 ======================= Grid point 377 (193/312) ======================= q-point: (-0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( -8.564 15.535 13.913) 22.544 4.200 ( -16.569 10.491 2.067) 19.720 4.700 ( -12.437 6.280 25.899) 29.408 4.965 ( -9.920 0.835 -5.080) 11.176 5.179 ( 0.145 -9.485 10.752) 14.339 5.343 ( -1.189 -10.940 -3.567) 11.568 5.636 ( -2.382 -1.803 -2.957) 4.203 6.144 ( 14.203 -7.301 -1.026) 16.003 6.259 ( 18.873 3.720 0.038) 19.236 6.790 ( -5.078 -10.836 -4.441) 12.764 6.970 ( 4.844 -7.702 -6.187) 11.003 7.325 ( 0.657 -3.935 -0.860) 4.081 8.084 ( -2.012 -10.969 -1.318) 11.229 8.390 ( 6.331 -18.390 -21.437) 28.945 8.593 ( 4.312 5.053 -7.679) 10.153 8.877 ( 9.613 -2.050 -1.302) 9.915 9.448 ( -1.777 23.656 16.070) 28.653 9.938 ( -1.451 13.858 4.490) 14.640 10.549 ( 6.043 17.569 13.426) 22.923 11.005 ( -5.375 1.239 -2.198) 5.938 11.306 ( -9.569 2.432 2.953) 10.306 11.528 ( -9.853 21.404 9.840) 25.535 11.687 ( -14.360 -3.598 6.417) 16.135 12.059 ( -8.449 1.493 17.664) 19.638 12.278 ( 0.218 6.906 3.263) 7.641 12.351 ( 4.829 11.984 25.413) 28.509 12.963 ( 11.369 18.151 3.023) 21.630 13.362 ( 1.405 20.668 5.346) 21.394 13.778 ( -2.145 19.728 10.818) 22.601 13.822 ( -4.200 5.063 19.180) 20.277 15.496 ( -7.812 -17.008 -20.221) 27.553 15.980 ( 2.989 -5.567 -25.299) 26.076 17.720 ( -4.517 -17.230 10.267) 20.559 18.072 ( 14.058 -19.460 9.550) 25.836 19.289 ( 4.552 -6.847 -22.682) 24.126 19.416 ( 9.474 -8.384 -18.767) 22.633 ======================= Grid point 378 (194/312) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( -8.924 18.014 14.762) 24.941 3.818 ( -22.586 11.873 7.957) 26.728 4.561 ( -11.408 10.634 26.638) 30.868 4.778 ( -4.286 6.206 -7.588) 10.699 5.210 ( -5.598 -17.653 -6.026) 19.475 5.306 ( 3.859 -4.559 14.186) 15.393 5.655 ( 2.084 -6.753 -1.584) 7.242 6.259 ( 7.382 -6.491 -7.270) 12.226 6.563 ( 0.899 2.672 -3.771) 4.708 6.813 ( 9.128 2.123 -6.733) 11.539 7.183 ( 17.490 -12.207 4.761) 21.854 7.314 ( -0.492 -3.000 2.875) 4.185 8.074 ( 1.266 -5.573 6.081) 8.345 8.412 ( 1.461 -8.698 -21.496) 23.235 8.634 ( 3.359 4.619 -6.119) 8.370 9.042 ( 8.247 1.542 0.109) 8.390 9.422 ( -5.666 17.771 10.593) 21.450 9.897 ( -1.727 9.172 -0.392) 9.341 10.596 ( -5.092 10.483 1.757) 11.786 10.887 ( -9.952 -1.209 -2.539) 10.342 11.103 ( -8.916 -1.230 4.220) 9.940 11.383 ( -6.520 8.405 15.712) 18.974 11.537 ( -4.925 14.637 3.191) 15.770 11.957 ( -8.119 0.093 20.330) 21.892 12.305 ( 1.300 6.997 5.966) 9.286 12.509 ( 2.012 13.510 24.071) 27.677 13.204 ( 10.413 14.618 3.623) 18.310 13.390 ( 0.156 14.829 6.993) 16.396 13.751 ( -7.792 0.266 20.049) 21.512 13.796 ( -0.751 25.085 5.365) 25.663 15.253 ( -9.161 -17.192 -19.641) 27.663 15.972 ( 4.979 -3.805 -25.448) 26.208 17.676 ( -4.182 -14.274 12.171) 19.219 18.359 ( 12.047 -23.116 7.044) 27.001 19.327 ( 7.318 -4.735 -23.160) 24.746 19.602 ( 15.827 -9.070 -19.610) 26.783 ======================= Grid point 379 (195/312) ======================= q-point: (-0.20 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( -9.897 22.809 14.898) 28.985 3.484 ( -13.734 16.460 15.345) 26.364 4.427 ( -11.692 11.418 26.700) 31.305 4.735 ( 0.682 12.088 -1.349) 12.182 5.105 ( -2.821 -11.623 -1.674) 12.077 5.449 ( 6.805 -9.166 6.627) 13.200 5.681 ( 1.419 -8.141 -2.383) 8.600 6.365 ( 3.684 -6.573 -3.050) 8.129 6.542 ( 2.589 2.183 -7.878) 8.575 6.902 ( 3.376 -2.432 -9.643) 10.502 7.203 ( -4.304 0.525 -9.336) 10.294 7.619 ( 12.517 -6.893 20.736) 25.183 8.151 ( -2.897 9.586 5.602) 11.475 8.298 ( 0.619 2.842 -9.289) 9.734 8.753 ( 9.776 -5.281 -3.823) 11.750 9.172 ( 0.657 0.706 -6.449) 6.521 9.320 ( -1.216 17.715 11.199) 20.993 9.934 ( 5.806 -0.094 -1.343) 5.960 10.362 ( -17.717 -2.589 -5.343) 18.685 10.654 ( -7.743 5.899 -0.651) 9.756 11.035 ( -3.251 -1.658 4.934) 6.137 11.286 ( -8.812 1.286 9.543) 13.053 11.511 ( 0.106 14.794 1.561) 14.877 11.882 ( -6.693 -2.611 18.339) 19.697 12.372 ( 2.667 9.365 10.439) 14.275 12.585 ( -2.643 15.776 24.520) 29.276 13.296 ( -1.449 15.379 3.178) 15.770 13.473 ( 3.004 4.933 12.553) 13.819 13.639 ( -7.707 5.277 12.921) 15.944 13.825 ( 1.892 21.587 2.994) 21.876 15.044 ( -5.117 -15.217 -17.985) 24.108 15.997 ( 6.304 -3.286 -25.001) 25.992 17.635 ( -4.653 -11.162 13.777) 18.331 18.575 ( 8.077 -24.292 4.779) 26.042 19.408 ( 8.899 -2.429 -23.040) 24.818 19.859 ( 16.726 -11.346 -21.649) 29.617 ======================= Grid point 380 (196/312) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( -3.212 27.578 19.834) 34.121 3.387 ( -3.930 18.613 18.805) 26.749 4.296 ( -10.162 14.812 22.967) 29.157 4.790 ( 4.561 10.555 5.260) 12.644 5.090 ( 0.687 -2.417 1.080) 2.735 5.607 ( 7.748 -9.564 0.974) 12.347 5.696 ( 1.149 -6.186 -3.118) 7.022 6.380 ( -0.148 -8.045 2.525) 8.434 6.628 ( 7.210 2.486 -8.215) 11.209 6.882 ( -2.791 -5.447 -8.705) 10.642 7.071 ( -5.149 3.065 -9.314) 11.075 7.758 ( -3.757 -10.544 1.653) 11.315 8.017 ( -4.458 19.469 11.400) 22.998 8.317 ( -5.424 6.532 -2.784) 8.935 8.889 ( 0.626 -2.029 -0.471) 2.175 9.112 ( 3.773 2.822 0.510) 4.739 9.518 ( 11.314 11.783 13.174) 20.986 9.985 ( -14.586 -6.799 -4.526) 16.717 10.102 ( 9.767 -6.093 -0.186) 11.513 10.605 ( 1.452 12.025 1.091) 12.161 10.945 ( -6.363 -7.266 -3.457) 10.259 11.165 ( -5.396 -3.375 6.035) 8.771 11.470 ( -5.320 6.144 0.104) 8.128 11.824 ( -4.262 -2.488 11.911) 12.893 12.461 ( 1.483 12.083 13.484) 18.166 12.585 ( -5.123 17.895 24.992) 31.162 13.246 ( -4.784 15.743 6.264) 17.606 13.453 ( -7.218 2.487 16.183) 17.894 13.629 ( 1.573 6.293 2.102) 6.819 13.881 ( 2.234 17.930 4.076) 18.523 14.943 ( 0.605 -13.091 -16.336) 20.943 16.042 ( 6.852 -3.272 -24.307) 25.465 17.589 ( -5.120 -8.498 14.774) 17.796 18.702 ( 3.519 -23.749 3.486) 24.260 19.503 ( 8.388 -1.185 -22.172) 23.735 20.057 ( 10.779 -12.937 -24.326) 29.586 ======================= Grid point 381 (197/312) ======================= q-point: ( 0.00 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.709 ( 1.961 19.292 14.492) 24.208 3.741 ( 0.702 16.706 14.753) 22.298 4.474 ( -0.348 9.647 24.104) 25.965 4.936 ( 8.435 -8.531 3.272) 12.435 5.297 ( 4.233 11.408 -0.708) 12.189 5.547 ( 5.811 -7.177 -5.012) 10.507 5.673 ( 6.270 -3.023 12.784) 14.556 6.152 ( 2.200 -17.158 0.703) 17.312 6.714 ( -2.865 1.540 -10.310) 10.811 6.772 ( -3.151 0.534 -10.383) 10.864 7.048 ( -3.711 9.843 -7.088) 12.684 7.465 ( -3.264 -9.246 -1.865) 9.981 8.100 ( -10.919 3.541 -10.622) 15.640 8.224 ( -17.213 4.414 -11.666) 21.257 8.996 ( -6.587 20.439 14.869) 26.119 9.347 ( 6.977 5.998 3.390) 9.805 9.628 ( -3.512 -7.272 -0.242) 8.079 9.962 ( -5.407 3.785 7.070) 9.672 10.127 ( 12.743 -10.744 4.103) 17.166 10.532 ( 6.313 -14.015 -8.765) 17.695 10.874 ( -6.256 5.591 6.605) 10.679 11.022 ( -3.322 -1.223 9.697) 10.323 11.401 ( 0.878 3.651 0.893) 3.859 11.714 ( 3.578 -7.390 -0.784) 8.248 12.783 ( -2.343 10.710 29.104) 31.101 12.875 ( -3.260 8.696 29.650) 31.070 13.436 ( -7.118 5.191 14.834) 17.253 13.485 ( -4.305 8.670 9.041) 13.245 13.775 ( 0.233 10.975 0.882) 11.013 14.190 ( 0.349 6.811 1.798) 7.053 14.810 ( 1.857 5.223 -7.801) 9.570 15.811 ( 2.469 -24.615 -8.115) 26.036 17.575 ( -1.959 10.355 4.009) 11.275 18.289 ( -0.664 -22.206 0.856) 22.233 19.590 ( 6.744 3.177 -28.644) 29.599 19.870 ( 4.766 -10.678 -30.212) 32.396 ======================= Grid point 382 (198/312) ======================= q-point: ( 0.10 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.747 ( -0.261 13.690 12.458) 18.512 3.897 ( 7.171 12.561 15.525) 21.219 4.574 ( 3.289 17.859 16.520) 24.549 5.094 ( 6.296 -5.377 0.422) 8.291 5.331 ( -0.402 11.964 -3.466) 12.462 5.611 ( 2.247 -4.860 -3.979) 6.671 5.875 ( 8.030 -5.349 14.905) 17.755 6.168 ( -1.950 -15.454 -2.102) 15.718 6.534 ( -11.550 0.485 -8.710) 14.474 6.756 ( 3.927 -5.949 4.459) 8.407 6.990 ( 1.469 10.811 -9.300) 14.336 7.399 ( -1.892 -7.109 -7.357) 10.404 7.817 ( -14.298 1.718 -10.720) 17.953 7.897 ( -11.111 -0.161 -4.146) 11.860 8.883 ( -7.655 15.884 11.691) 21.156 9.344 ( -9.288 1.445 0.938) 9.447 9.513 ( -9.732 0.527 -3.233) 10.268 9.888 ( 0.836 -16.476 5.117) 17.272 10.261 ( -6.071 6.626 7.228) 11.533 10.606 ( 3.285 -5.794 -3.687) 7.613 10.915 ( 13.710 1.986 -1.614) 13.947 11.119 ( 9.086 -5.818 11.057) 15.448 11.576 ( 13.768 7.028 3.351) 15.817 11.839 ( 8.338 -2.379 0.262) 8.674 12.817 ( -4.501 12.348 30.319) 33.045 12.913 ( -3.849 9.506 31.669) 33.288 13.348 ( -7.072 3.741 12.991) 15.257 13.421 ( -5.818 5.538 10.550) 13.260 13.783 ( 1.186 13.901 -2.161) 14.118 14.205 ( 0.524 10.917 3.596) 11.506 14.841 ( 4.664 -0.001 -9.364) 10.461 15.825 ( 1.590 -25.939 -6.948) 26.900 17.533 ( -3.415 10.461 2.290) 11.240 18.228 ( -5.874 -21.195 0.330) 21.996 19.580 ( 2.223 2.204 -27.827) 28.002 19.798 ( -1.416 -8.521 -28.736) 30.006 ======================= Grid point 383 (199/312) ======================= q-point: ( 0.20 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( 1.238 13.940 11.585) 18.168 4.106 ( 9.185 4.576 15.286) 18.411 4.700 ( 5.071 20.625 8.626) 22.924 5.161 ( 0.110 -3.675 -1.602) 4.010 5.260 ( -4.427 15.963 -6.578) 17.823 5.586 ( -4.914 -0.477 1.490) 5.157 5.995 ( -1.574 -13.281 4.496) 14.110 6.051 ( -7.460 -14.932 -8.077) 18.543 6.330 ( -4.992 4.290 2.613) 7.082 6.857 ( 3.411 -14.410 -0.691) 14.824 7.080 ( 8.348 3.484 -2.651) 9.426 7.291 ( -6.759 -6.587 -14.986) 17.710 7.624 ( -0.374 1.990 -4.195) 4.658 7.747 ( -4.131 -1.839 5.197) 6.889 8.798 ( -5.562 9.393 9.186) 14.267 9.061 ( -15.118 -1.509 -3.451) 15.580 9.315 ( -9.329 4.861 -3.658) 11.137 9.862 ( -5.393 -16.874 2.361) 17.871 10.224 ( 4.317 13.447 9.352) 16.938 10.694 ( 5.674 -3.650 1.471) 6.905 11.223 ( 15.741 4.760 0.030) 16.445 11.380 ( 12.520 -6.181 8.571) 16.383 11.866 ( 12.729 5.927 4.939) 14.885 11.991 ( 5.931 2.828 2.931) 7.194 12.806 ( -7.491 13.961 29.843) 33.788 12.922 ( -7.294 9.016 33.393) 35.350 13.249 ( -6.523 3.243 9.307) 11.819 13.344 ( -5.618 3.168 12.045) 13.663 13.819 ( 3.625 17.695 -3.160) 18.337 14.239 ( 1.029 18.649 7.332) 20.065 14.939 ( 9.351 -8.702 -12.033) 17.549 15.824 ( 0.800 -26.204 -6.806) 27.086 17.464 ( -3.866 7.986 0.476) 8.885 18.070 ( -10.111 -19.055 -0.206) 21.573 19.494 ( -1.169 0.501 -27.094) 27.123 19.640 ( -4.721 -6.881 -26.567) 27.847 ======================= Grid point 384 (200/312) ======================= q-point: ( 0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.866 ( 1.428 15.491 10.951) 19.025 4.358 ( 11.207 -3.287 15.605) 19.492 4.828 ( 6.248 17.481 2.825) 18.778 5.041 ( -8.648 4.841 -10.298) 14.292 5.189 ( -2.728 10.850 3.221) 11.642 5.440 ( -9.712 3.647 3.556) 10.966 5.839 ( -12.445 -15.246 -0.970) 19.704 5.913 ( -2.990 -16.432 -6.952) 18.091 6.322 ( -1.214 1.207 4.286) 4.615 6.891 ( 1.202 -12.452 -8.376) 15.056 7.055 ( -6.182 -5.036 -14.539) 16.582 7.191 ( -0.057 -5.595 -3.622) 6.665 7.706 ( 8.371 -3.494 -9.159) 12.891 7.779 ( 3.298 -5.107 9.586) 11.351 8.669 ( -9.031 3.853 1.914) 10.004 8.833 ( -8.530 -3.191 -3.299) 9.686 9.217 ( 2.836 17.041 4.993) 17.982 9.837 ( 2.134 -5.912 7.067) 9.458 10.403 ( 8.755 8.623 9.681) 15.644 10.843 ( 8.836 -4.370 3.628) 10.504 11.466 ( 7.340 7.141 7.680) 12.800 11.622 ( 9.349 -0.912 4.468) 10.402 12.038 ( 2.995 0.959 5.741) 6.546 12.089 ( 3.067 3.515 3.014) 5.554 12.718 ( -11.598 14.115 26.526) 32.208 12.828 ( -13.478 7.698 30.419) 34.150 13.184 ( -3.665 6.093 8.910) 11.399 13.314 ( -1.051 2.935 15.248) 15.563 13.902 ( 5.475 21.849 -1.934) 22.607 14.287 ( 0.653 25.914 10.034) 27.796 15.108 ( 11.819 -16.766 -13.980) 24.824 15.811 ( 0.460 -25.062 -7.998) 26.311 17.400 ( -2.312 3.094 -0.488) 3.893 17.854 ( -11.396 -16.058 -0.162) 19.692 19.367 ( -2.070 -1.470 -26.662) 26.783 19.454 ( -4.936 -6.377 -25.021) 26.289 ======================= Grid point 385 (201/312) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.907 ( -1.446 17.527 10.217) 20.339 4.599 ( 5.256 -13.830 14.153) 20.475 4.830 ( -6.977 9.805 -7.315) 14.083 4.982 ( 8.852 8.428 -2.867) 12.554 5.150 ( -5.607 7.824 18.897) 21.207 5.329 ( 2.243 5.632 -4.562) 7.587 5.567 ( -15.729 -11.548 1.788) 19.595 5.869 ( 0.900 -17.307 -9.045) 19.549 6.209 ( -11.398 1.581 -0.793) 11.534 6.823 ( -5.352 -15.345 -7.405) 17.859 6.939 ( -0.096 -1.057 -14.826) 14.863 7.199 ( 3.404 -1.127 -4.935) 6.100 7.824 ( 6.643 -8.753 -15.718) 19.178 7.871 ( 4.454 -11.226 2.697) 12.375 8.564 ( -1.174 1.737 -0.050) 2.097 8.669 ( -5.579 -3.552 -3.758) 7.608 9.451 ( 14.903 21.972 12.703) 29.432 9.965 ( 6.696 1.188 10.817) 12.777 10.589 ( 6.273 10.766 12.118) 17.381 11.029 ( 6.952 -6.622 5.060) 10.853 11.561 ( -0.688 9.159 11.945) 15.068 11.752 ( 3.620 4.574 2.007) 6.169 12.076 ( -5.522 -1.320 2.435) 6.178 12.101 ( 1.760 -4.527 9.271) 10.466 12.537 ( -14.564 12.519 19.752) 27.549 12.650 ( -14.365 8.055 29.431) 33.725 13.159 ( -1.380 12.806 9.023) 15.726 13.413 ( 4.152 2.244 19.554) 20.115 13.989 ( 3.097 24.295 -0.454) 24.496 14.326 ( -0.230 29.324 9.794) 30.917 15.257 ( 7.384 -20.932 -14.749) 26.650 15.791 ( 0.729 -22.651 -10.300) 24.894 17.389 ( 1.620 -3.460 -0.459) 3.848 17.658 ( -8.125 -12.746 0.845) 15.139 19.251 ( -0.289 -3.278 -26.661) 26.863 19.295 ( -2.396 -6.296 -24.498) 25.407 ======================= Grid point 386 (202/312) ======================= q-point: (-0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.871 ( -5.357 18.562 9.543) 21.548 4.545 ( -8.238 -8.878 -0.785) 12.136 4.784 ( -3.467 5.684 9.500) 11.601 5.060 ( -3.236 2.572 5.939) 7.236 5.161 ( 2.504 -3.288 10.378) 11.170 5.256 ( -14.212 -4.640 -1.214) 14.999 5.574 ( 19.542 0.393 0.839) 19.564 5.867 ( -0.252 -8.532 -8.378) 11.961 5.979 ( -4.482 2.391 -3.659) 6.260 6.646 ( -8.905 -21.095 -4.444) 23.325 6.955 ( 5.751 8.412 -18.397) 21.030 7.261 ( 3.432 -0.290 -2.809) 4.445 7.860 ( 2.108 -10.674 -6.570) 12.710 7.964 ( 6.275 -15.144 -14.051) 21.591 8.591 ( 3.465 1.783 -2.560) 4.663 8.661 ( 6.304 -1.751 -2.200) 6.903 9.769 ( 11.377 20.344 12.794) 26.589 10.120 ( 4.237 5.903 10.928) 13.123 10.728 ( 3.601 13.291 13.917) 19.578 11.079 ( -3.156 -5.161 2.164) 6.425 11.523 ( -7.423 7.878 11.807) 16.018 11.807 ( -2.292 0.818 5.535) 6.047 11.921 ( -8.760 0.695 6.829) 11.129 12.133 ( -5.676 -5.602 15.874) 17.765 12.381 ( -3.161 11.145 12.378) 16.953 12.492 ( -10.653 5.840 26.193) 28.874 13.207 ( 2.695 18.397 11.369) 21.794 13.567 ( 3.896 0.981 20.312) 20.706 13.998 ( -2.425 23.932 0.858) 24.070 14.341 ( -1.508 29.040 8.172) 30.206 15.267 ( -1.087 -20.816 -15.242) 25.822 15.770 ( 1.119 -20.391 -12.359) 23.870 17.444 ( 2.566 -9.078 -0.167) 9.435 17.587 ( 1.863 -10.469 2.315) 10.882 19.184 ( 2.855 -4.258 -27.291) 27.768 19.215 ( 3.246 -6.147 -24.461) 25.430 ======================= Grid point 387 (203/312) ======================= q-point: (-0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.787 ( -6.180 19.752 10.136) 23.045 4.369 ( -11.277 4.244 1.836) 12.188 4.647 ( -12.452 -7.620 10.922) 18.232 4.940 ( -8.971 -11.302 -1.434) 14.501 5.080 ( -0.851 7.089 0.708) 7.174 5.259 ( 0.418 -1.066 8.456) 8.534 5.645 ( -6.313 4.712 -0.419) 7.888 5.968 ( 10.175 -7.467 -4.856) 13.523 6.256 ( 26.405 -4.800 4.774) 27.259 6.513 ( -0.403 -16.857 -5.502) 17.737 6.995 ( 4.499 9.721 -18.973) 21.788 7.297 ( 1.161 -0.546 -2.576) 2.877 7.885 ( 2.257 -8.439 -0.572) 8.754 8.026 ( 6.484 -16.314 -17.698) 24.928 8.695 ( 8.191 4.517 -7.265) 11.844 8.827 ( 10.454 -2.803 -3.329) 11.324 9.920 ( -0.937 21.822 13.251) 25.547 10.175 ( -1.740 8.997 6.612) 11.300 10.805 ( -0.928 7.847 7.877) 11.157 10.972 ( -7.074 -3.885 -0.615) 8.094 11.355 ( -13.299 4.824 10.640) 17.702 11.607 ( -14.910 -3.426 13.615) 20.479 11.855 ( -5.859 9.388 12.742) 16.877 12.037 ( -8.470 -3.096 17.870) 20.016 12.419 ( 0.537 7.312 9.259) 11.810 12.515 ( 3.965 4.531 24.745) 25.467 13.327 ( 5.031 17.300 12.499) 21.928 13.684 ( 1.155 0.928 19.047) 19.105 13.908 ( -6.959 21.303 2.475) 22.547 14.320 ( -3.301 25.033 6.521) 26.078 15.134 ( -6.397 -16.090 -15.154) 23.010 15.753 ( 1.653 -19.635 -12.892) 23.547 17.473 ( 1.282 -5.975 1.753) 6.357 17.732 ( 10.229 -15.123 1.462) 18.316 19.184 ( 7.001 -3.379 -27.696) 28.766 19.261 ( 10.053 -6.854 -25.310) 28.083 ======================= Grid point 388 (204/312) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.716 ( -4.774 22.445 11.252) 25.557 4.087 ( -17.405 15.610 5.855) 24.102 4.492 ( -7.721 -12.159 15.025) 20.813 4.806 ( -4.470 -19.932 -1.546) 20.485 5.081 ( 1.034 13.821 -3.187) 14.222 5.275 ( -0.276 1.039 7.715) 7.790 5.562 ( -2.549 -0.184 1.385) 2.906 6.104 ( 3.892 -12.469 -2.429) 13.286 6.487 ( 7.730 -1.488 -5.918) 9.849 6.892 ( 21.768 -16.147 2.306) 27.201 7.015 ( 8.128 13.111 -16.482) 22.575 7.297 ( 0.421 -0.427 -1.733) 1.834 7.969 ( 6.441 -4.471 5.623) 9.649 8.127 ( 10.648 -14.323 -17.591) 25.059 8.809 ( 5.345 8.359 -9.221) 13.545 9.016 ( 10.022 -3.007 -4.750) 11.491 9.859 ( -8.359 23.499 12.548) 27.920 10.093 ( -7.316 9.488 1.114) 12.033 10.665 ( -15.413 -2.385 -2.601) 15.812 10.804 ( -9.634 -7.114 -1.684) 12.094 11.159 ( -8.932 7.361 13.264) 17.604 11.434 ( -9.574 -1.521 19.614) 21.879 11.775 ( -5.891 7.286 8.065) 12.362 11.920 ( -9.305 -2.885 16.773) 19.396 12.501 ( 2.953 10.938 14.812) 18.648 12.677 ( 2.698 3.689 26.438) 26.830 13.467 ( 4.570 12.120 11.527) 17.339 13.736 ( -3.130 -1.313 18.753) 19.058 13.771 ( -6.578 21.489 2.103) 22.571 14.257 ( -4.776 17.024 4.108) 18.152 14.961 ( -5.459 -6.860 -12.996) 15.676 15.750 ( 2.452 -20.006 -12.392) 23.660 17.514 ( 1.805 -0.949 3.223) 3.814 17.943 ( 10.472 -19.138 0.769) 21.829 19.264 ( 10.721 -1.219 -28.389) 30.371 19.422 ( 15.112 -8.584 -26.501) 31.691 ======================= Grid point 389 (205/312) ======================= q-point: (-0.20 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( -4.747 25.765 11.941) 28.791 3.825 ( -11.014 18.235 11.347) 24.136 4.429 ( -5.329 -7.610 21.548) 23.465 4.751 ( -1.379 -21.192 3.378) 21.504 5.113 ( 4.064 17.993 -5.123) 19.144 5.323 ( 3.239 -1.757 4.347) 5.698 5.543 ( -0.225 -4.175 2.455) 4.848 6.123 ( 0.236 -18.189 -2.931) 18.425 6.645 ( 9.324 8.881 -8.872) 15.637 6.937 ( -0.160 2.862 -16.657) 16.902 7.193 ( 0.927 -1.053 -7.556) 7.685 7.428 ( 9.097 -10.298 7.299) 15.559 8.222 ( 16.969 -0.150 6.940) 18.334 8.300 ( 10.133 -4.098 -12.515) 16.616 8.841 ( 2.010 11.890 -2.950) 12.415 9.154 ( 4.981 -2.920 -7.604) 9.548 9.715 ( -8.040 21.373 7.397) 24.004 9.989 ( -1.837 5.642 1.710) 6.175 10.257 ( -22.782 -5.880 -3.347) 23.765 10.651 ( -4.922 -9.588 -1.724) 10.915 11.059 ( -7.427 5.635 11.661) 14.930 11.288 ( -12.080 -1.946 13.654) 18.334 11.684 ( -5.915 4.413 4.016) 8.402 11.803 ( -8.003 -3.874 12.550) 15.380 12.611 ( 1.767 11.808 21.445) 24.544 12.787 ( -1.058 4.422 29.005) 29.359 13.547 ( -1.211 7.174 10.675) 12.919 13.643 ( -6.347 10.481 8.905) 15.147 13.744 ( -2.003 9.657 9.573) 13.745 14.190 ( -2.463 9.210 1.840) 9.710 14.853 ( -1.772 2.487 -9.671) 10.141 15.763 ( 3.002 -21.137 -11.291) 24.151 17.556 ( 1.113 3.970 4.367) 6.006 18.127 ( 8.031 -21.303 0.721) 22.778 19.392 ( 12.098 1.206 -28.991) 31.437 19.638 ( 15.832 -10.672 -28.313) 34.149 ======================= Grid point 390 (206/312) ======================= q-point: (-0.10 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.634 ( -1.756 26.455 14.632) 30.283 3.738 ( -3.833 16.886 13.640) 22.042 4.426 ( -3.407 -0.277 25.991) 26.215 4.790 ( 4.229 -14.153 4.986) 15.590 5.199 ( 5.738 14.550 -2.462) 15.833 5.427 ( 6.332 -5.029 0.824) 8.128 5.570 ( 1.968 -4.737 4.640) 6.916 6.122 ( 0.968 -18.131 -2.250) 18.296 6.747 ( 4.061 7.855 -11.167) 14.245 6.859 ( -1.871 1.929 -15.203) 15.439 7.143 ( -2.911 4.344 -6.466) 8.316 7.514 ( -0.772 -13.351 2.153) 13.546 8.308 ( -5.281 8.796 -11.028) 15.063 8.469 ( 0.294 4.374 -2.964) 5.292 8.950 ( 6.039 11.376 9.881) 16.233 9.182 ( 5.048 3.015 -2.015) 6.216 9.729 ( 5.045 8.293 1.336) 9.798 9.862 ( -12.030 -2.886 2.983) 12.726 10.025 ( 3.354 -1.508 2.490) 4.441 10.570 ( -4.329 -17.555 -2.750) 18.289 10.938 ( -6.495 8.825 6.863) 12.929 11.118 ( -8.197 -1.677 9.587) 12.725 11.532 ( -10.798 1.767 2.384) 11.199 11.713 ( -3.601 -7.205 4.781) 9.367 12.710 ( 0.012 10.761 26.288) 28.405 12.840 ( -3.250 6.564 29.261) 30.164 13.513 ( -5.114 4.997 12.742) 14.611 13.552 ( -6.382 11.009 9.260) 15.738 13.759 ( 0.445 9.730 4.698) 10.814 14.177 ( 0.168 6.285 1.441) 6.450 14.814 ( 0.425 6.316 -7.835) 10.073 15.787 ( 3.019 -22.812 -9.751) 24.991 17.581 ( -0.283 7.988 4.773) 9.309 18.250 ( 4.188 -22.222 0.952) 22.633 19.518 ( 10.551 2.878 -29.122) 31.108 19.812 ( 11.642 -11.661 -29.972) 34.202 ======================= Grid point 391 (207/312) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( -1.822 -2.460 10.712) 11.140 3.923 ( -1.822 2.460 10.712) 11.140 4.685 ( 8.924 -14.190 18.276) 24.799 4.685 ( 8.924 14.190 18.276) 24.799 5.444 ( 3.831 -5.259 0.841) 6.561 5.444 ( 3.831 5.259 0.841) 6.561 5.807 ( 4.868 -16.076 1.882) 16.902 5.807 ( 4.868 16.076 1.882) 16.902 6.754 ( -4.814 -1.945 -14.072) 15.000 6.754 ( -4.814 1.945 -14.072) 15.000 7.264 ( -1.242 -11.145 -1.680) 11.340 7.264 ( -1.242 11.145 -1.680) 11.340 8.193 ( -15.212 -5.064 -15.986) 22.640 8.193 ( -15.212 5.064 -15.986) 22.640 9.439 ( 8.309 -8.717 7.710) 14.300 9.439 ( 8.309 8.717 7.710) 14.300 9.582 ( -14.592 -21.433 5.115) 26.428 9.582 ( -14.592 21.433 5.115) 26.428 10.277 ( 11.152 -12.722 -1.295) 16.968 10.277 ( 11.152 12.722 -1.295) 16.968 10.965 ( -7.343 -4.524 10.635) 13.693 10.965 ( -7.343 4.524 10.635) 13.693 11.544 ( 4.802 -9.394 -1.066) 10.604 11.544 ( 4.802 9.394 -1.066) 10.604 12.918 ( -2.379 -3.058 30.631) 30.875 12.918 ( -2.379 3.058 30.631) 30.875 13.518 ( -7.045 -3.041 14.710) 16.591 13.518 ( -7.045 3.041 14.710) 16.591 14.064 ( 2.057 -14.696 -3.869) 15.335 14.064 ( 2.057 14.696 -3.869) 15.335 15.233 ( -0.363 -31.132 -0.013) 31.134 15.233 ( -0.363 31.132 -0.013) 31.134 17.879 ( -0.338 -19.329 -0.461) 19.337 17.879 ( -0.338 19.329 -0.461) 19.337 19.692 ( 6.543 -7.308 -31.712) 33.194 19.692 ( 6.543 7.308 -31.712) 33.194 ======================= Grid point 393 (208/312) ======================= q-point: ( 0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.955 ( 1.213 -5.854 11.145) 12.647 3.955 ( 1.213 5.854 11.145) 12.647 4.902 ( 7.758 -14.837 10.061) 19.534 4.902 ( 7.758 14.837 10.061) 19.534 5.508 ( 1.979 -6.690 1.908) 7.233 5.508 ( 1.979 6.690 1.908) 7.233 5.896 ( 1.721 -9.983 2.645) 10.470 5.896 ( 1.721 9.983 2.645) 10.470 6.613 ( -5.228 -6.812 -6.044) 10.501 6.613 ( -5.228 6.812 -6.044) 10.501 7.221 ( -1.224 -11.126 -7.860) 13.677 7.221 ( -1.224 11.126 -7.860) 13.677 7.865 ( -12.166 -3.175 -10.133) 16.149 7.865 ( -12.166 3.175 -10.133) 16.149 9.251 ( -16.255 -15.553 3.858) 22.825 9.251 ( -16.255 15.553 3.858) 22.825 9.565 ( -0.595 -8.916 3.020) 9.433 9.565 ( -0.595 8.916 3.020) 9.433 10.448 ( 3.510 -9.838 2.728) 10.796 10.448 ( 3.510 9.838 2.728) 10.796 10.991 ( 9.693 -5.908 6.715) 13.189 10.991 ( 9.693 5.908 6.715) 13.189 11.737 ( 12.829 -7.706 1.721) 15.064 11.737 ( 12.829 7.706 1.721) 15.064 12.968 ( -3.662 -3.078 31.951) 32.307 12.968 ( -3.662 3.078 31.951) 32.307 13.422 ( -8.070 -3.352 14.838) 17.220 13.422 ( -8.070 3.352 14.838) 17.220 14.105 ( 4.235 -15.640 -5.990) 17.275 14.105 ( 4.235 15.640 -5.990) 17.275 15.225 ( -0.546 -31.791 0.962) 31.810 15.225 ( -0.546 31.791 0.962) 31.810 17.833 ( -4.015 -18.807 -1.705) 19.306 17.833 ( -4.015 18.807 -1.705) 19.306 19.658 ( 1.011 -5.697 -30.645) 31.187 19.658 ( 1.011 5.697 -30.645) 31.187 ======================= Grid point 395 (209/312) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.042 ( 3.764 -9.724 10.972) 15.137 4.042 ( 3.764 9.724 10.972) 15.137 5.037 ( 3.879 -12.043 2.316) 12.863 5.037 ( 3.879 12.043 2.316) 12.863 5.520 ( -2.032 -8.580 4.054) 9.704 5.520 ( -2.032 8.580 4.054) 9.704 5.831 ( -7.964 -3.372 -4.405) 9.706 5.831 ( -7.964 3.372 -4.405) 9.706 6.539 ( -1.901 -15.362 1.817) 15.585 6.539 ( -1.901 15.362 1.817) 15.585 7.170 ( -0.171 -5.531 -15.668) 16.616 7.170 ( -0.171 5.531 -15.668) 16.616 7.695 ( -3.522 -3.858 0.562) 5.254 7.695 ( -3.522 3.858 0.562) 5.254 8.978 ( -12.767 -7.267 0.457) 14.698 8.978 ( -12.767 7.267 0.457) 14.698 9.519 ( -2.502 -15.795 3.002) 16.272 9.519 ( -2.502 15.795 3.002) 16.272 10.514 ( 3.896 -13.773 6.240) 15.614 10.514 ( 3.896 13.773 6.240) 15.614 11.290 ( 15.817 -3.139 5.072) 16.905 11.290 ( 15.817 3.139 5.072) 16.905 11.974 ( 9.061 -4.053 4.314) 10.823 11.974 ( 9.061 4.053 4.314) 10.823 12.977 ( -7.337 -3.328 32.793) 33.768 12.977 ( -7.337 3.328 32.793) 33.768 13.319 ( -6.756 -3.643 13.670) 15.677 13.319 ( -6.756 3.643 13.670) 15.677 14.202 ( 8.099 -17.922 -6.420) 20.689 14.202 ( 8.099 17.922 -6.420) 20.689 15.221 ( -0.159 -31.406 1.066) 31.424 15.221 ( -0.159 31.406 1.066) 31.424 17.718 ( -6.695 -16.540 -3.178) 18.124 17.718 ( -6.695 16.540 -3.178) 18.124 19.536 ( -2.732 -3.748 -29.312) 29.676 19.536 ( -2.732 3.748 -29.312) 29.676 ======================= Grid point 397 (210/312) ======================= q-point: ( 0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.166 ( 4.749 -14.325 10.677) 18.486 4.166 ( 4.749 14.325 10.677) 18.486 5.060 ( -1.554 -5.079 -2.194) 5.747 5.060 ( -1.554 5.079 -2.194) 5.747 5.460 ( -5.809 -10.731 6.590) 13.868 5.460 ( -5.809 10.731 6.590) 13.868 5.633 ( -7.915 -6.756 -7.480) 12.816 5.633 ( -7.915 6.756 -7.480) 12.816 6.513 ( -2.822 -17.312 2.076) 17.663 6.513 ( -2.822 17.312 2.076) 17.663 7.110 ( 0.907 -4.291 -19.223) 19.717 7.110 ( 0.907 4.291 -19.223) 19.717 7.697 ( 1.764 -2.681 2.258) 3.924 7.697 ( 1.764 2.681 2.258) 3.924 8.751 ( -10.148 -4.440 -1.416) 11.167 8.751 ( -10.148 4.440 -1.416) 11.167 9.579 ( 7.377 -17.872 7.733) 20.823 9.579 ( 7.377 17.872 7.733) 20.823 10.653 ( 7.549 -13.698 7.860) 17.504 10.653 ( 7.549 13.698 7.860) 17.504 11.575 ( 10.831 -4.119 7.293) 13.691 11.575 ( 10.831 4.119 7.293) 13.691 12.082 ( 0.289 -2.751 4.524) 5.303 12.082 ( 0.289 2.751 4.524) 5.303 12.884 ( -13.040 -2.908 29.317) 32.218 12.884 ( -13.040 2.908 29.317) 32.218 13.285 ( -1.610 -4.173 15.908) 16.525 13.285 ( -1.610 4.173 15.908) 16.525 14.361 ( 9.485 -20.069 -5.461) 22.859 14.361 ( 9.485 20.069 -5.461) 22.859 15.229 ( 0.770 -29.475 -0.182) 29.485 15.229 ( 0.770 29.475 -0.182) 29.485 17.569 ( -6.899 -12.738 -4.049) 15.042 17.569 ( -6.899 12.738 -4.049) 15.042 19.372 ( -3.545 -2.118 -28.385) 28.683 19.372 ( -3.545 2.118 -28.385) 28.683 ======================= Grid point 399 (211/312) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.263 ( 0.573 -18.589 9.437) 20.855 4.263 ( 0.573 18.589 9.437) 20.855 5.002 ( -1.545 -5.818 -3.491) 6.959 5.002 ( -1.545 5.818 -3.491) 6.959 5.334 ( -10.224 -10.415 10.547) 18.007 5.334 ( -10.224 10.415 10.547) 18.007 5.545 ( 2.241 -14.766 -8.732) 17.300 5.545 ( 2.241 14.766 -8.732) 17.300 6.407 ( -8.246 -17.905 -0.621) 19.722 6.407 ( -8.246 17.905 -0.621) 19.722 7.108 ( 5.511 -8.683 -18.962) 21.572 7.108 ( 5.511 8.683 -18.962) 21.572 7.741 ( 2.388 -1.542 -2.195) 3.591 7.741 ( 2.388 1.542 -2.195) 3.591 8.609 ( -3.188 -2.741 -1.470) 4.454 8.609 ( -3.188 2.741 -1.470) 4.454 9.818 ( 12.301 -14.689 11.224) 22.205 9.818 ( 12.301 14.689 11.224) 22.205 10.832 ( 6.832 -12.806 9.485) 17.339 10.832 ( 6.832 12.806 9.485) 17.339 11.743 ( 2.876 -6.631 9.811) 12.186 11.743 ( 2.876 6.631 9.811) 12.186 12.039 ( -4.899 -0.055 5.398) 7.290 12.039 ( -4.899 0.055 5.398) 7.290 12.695 ( -14.878 -3.412 23.981) 28.427 12.695 ( -14.878 3.412 23.981) 28.427 13.355 ( 2.059 -6.794 19.605) 20.851 13.355 ( 2.059 6.794 19.605) 20.851 14.491 ( 4.818 -20.530 -4.669) 21.598 14.491 ( 4.818 20.530 -4.669) 21.598 15.247 ( 1.455 -26.863 -2.401) 27.010 15.247 ( 1.455 26.863 -2.401) 27.010 17.448 ( -3.505 -8.178 -3.944) 9.732 17.448 ( -3.505 8.178 -3.944) 9.732 19.225 ( -1.287 -0.963 -28.109) 28.155 19.225 ( -1.287 0.963 -28.109) 28.155 ======================= Grid point 401 (212/312) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.240 ( -4.747 -18.599 6.954) 20.416 4.240 ( -4.747 18.599 6.954) 20.416 4.957 ( -6.195 -9.180 -2.795) 11.422 4.957 ( -6.195 9.180 -2.795) 11.422 5.191 ( -5.063 -3.599 10.668) 12.345 5.191 ( -5.063 3.599 10.668) 12.345 5.654 ( 10.903 -8.604 -5.017) 14.767 5.654 ( 10.903 8.604 -5.017) 14.767 6.233 ( -7.176 -19.012 -2.989) 20.540 6.233 ( -7.176 19.012 -2.989) 20.540 7.168 ( 6.267 -10.065 -17.575) 21.200 7.168 ( 6.267 10.065 -17.575) 21.200 7.774 ( 2.503 -3.313 -4.785) 6.335 7.774 ( 2.503 3.313 -4.785) 6.335 8.627 ( 5.328 -1.798 -2.384) 6.108 8.627 ( 5.328 1.798 -2.384) 6.108 10.076 ( 9.187 -10.126 11.362) 17.777 10.076 ( 9.187 10.126 11.362) 17.777 10.940 ( 0.565 -9.066 7.677) 11.893 10.940 ( 0.565 9.066 7.677) 11.893 11.705 ( -10.331 -8.924 11.283) 17.711 11.705 ( -10.331 8.924 11.283) 17.711 12.006 ( -1.788 -6.302 11.769) 13.470 12.006 ( -1.788 6.302 11.769) 13.470 12.520 ( -9.020 -2.965 19.545) 21.729 12.520 ( -9.020 2.965 19.545) 21.729 13.474 ( 2.615 -8.975 20.894) 22.890 13.474 ( 2.615 8.975 20.894) 22.890 14.497 ( -2.649 -20.364 -4.737) 21.075 14.497 ( -2.649 20.364 -4.737) 21.075 15.260 ( 0.808 -25.930 -3.913) 26.236 15.260 ( 0.808 25.930 -3.913) 26.236 17.423 ( 2.209 -5.302 -3.293) 6.621 17.423 ( 2.209 5.302 -3.293) 6.621 19.147 ( 3.389 -0.733 -28.347) 28.558 19.147 ( 3.389 0.733 -28.347) 28.558 ======================= Grid point 403 (213/312) ======================= q-point: (-0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.175 ( -3.773 -18.882 7.723) 20.746 4.175 ( -3.773 18.882 7.723) 20.746 4.715 ( -15.429 -10.808 -1.142) 18.873 4.715 ( -15.429 10.808 -1.142) 18.873 5.204 ( 1.089 -4.966 5.743) 7.670 5.204 ( 1.089 4.966 5.743) 7.670 5.817 ( 1.748 -9.774 0.487) 9.941 5.817 ( 1.748 9.774 0.487) 9.941 6.245 ( 13.379 -7.215 -3.062) 15.506 6.245 ( 13.379 7.215 -3.062) 15.506 7.213 ( 4.266 -9.412 -16.573) 19.531 7.213 ( 4.266 9.412 -16.573) 19.531 7.821 ( 4.479 -3.571 -4.676) 7.394 7.821 ( 4.479 3.571 -4.676) 7.394 8.769 ( 9.807 -3.237 -5.281) 11.599 8.769 ( 9.807 3.237 -5.281) 11.599 10.213 ( 0.762 -6.695 9.666) 11.782 10.213 ( 0.762 6.695 9.666) 11.782 10.893 ( -7.368 -3.475 1.088) 8.219 10.893 ( -7.368 3.475 1.088) 8.219 11.497 ( -13.845 -7.872 16.314) 22.799 11.497 ( -13.845 7.872 16.314) 22.799 11.968 ( -7.374 -3.816 16.267) 18.264 11.968 ( -7.374 3.816 16.267) 18.264 12.528 ( 2.459 -3.013 17.893) 18.311 12.528 ( 2.459 3.013 17.893) 18.311 13.584 ( 1.340 -9.017 20.069) 22.042 13.584 ( 1.340 9.017 20.069) 22.042 14.370 ( -8.122 -20.005 -4.868) 22.133 14.370 ( -8.122 20.005 -4.868) 22.133 15.254 ( 0.102 -26.886 -3.848) 27.160 15.254 ( 0.102 26.886 -3.848) 27.160 17.501 ( 6.443 -7.784 -2.647) 10.445 17.501 ( 6.443 7.784 -2.647) 10.445 19.170 ( 9.038 -2.076 -28.953) 30.402 19.170 ( 9.038 2.076 -28.953) 30.402 ======================= Grid point 405 (214/312) ======================= q-point: (-0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.152 ( -2.484 -21.007 10.645) 23.680 4.152 ( -2.484 21.007 10.645) 23.680 4.424 ( -12.934 -18.356 1.934) 22.539 4.424 ( -12.934 18.356 1.934) 22.539 5.246 ( 1.837 -5.025 3.018) 6.143 5.246 ( 1.837 5.025 3.018) 6.143 5.772 ( -3.454 -18.478 -0.367) 18.802 5.772 ( -3.454 18.478 -0.367) 18.802 6.605 ( 19.363 -11.936 -2.654) 22.901 6.605 ( 19.363 11.936 -2.654) 22.901 7.230 ( 3.199 -7.589 -13.264) 15.613 7.230 ( 3.199 7.589 -13.264) 15.613 7.944 ( 10.712 -3.422 -3.535) 11.788 7.944 ( 10.712 3.422 -3.535) 11.788 8.938 ( 9.074 -5.093 -7.521) 12.839 8.938 ( 9.074 5.093 -7.521) 12.839 10.177 ( -6.677 -4.992 6.439) 10.534 10.177 ( -6.677 4.992 6.439) 10.534 10.652 ( -16.207 -4.921 -2.055) 17.062 10.652 ( -16.207 4.921 -2.055) 17.062 11.329 ( -10.054 -8.425 18.581) 22.744 11.329 ( -10.054 8.425 18.581) 22.744 11.864 ( -7.924 -3.058 13.206) 15.701 11.864 ( -7.924 3.058 13.206) 15.701 12.663 ( 3.107 -4.875 21.996) 22.743 12.663 ( 3.107 4.875 21.996) 22.743 13.655 ( -0.836 -6.865 17.461) 18.781 13.655 ( -0.836 6.865 17.461) 18.781 14.185 ( -8.286 -18.417 -3.810) 20.552 14.185 ( -8.286 18.417 -3.810) 20.552 15.244 ( 0.182 -28.219 -3.094) 28.389 15.244 ( 0.182 28.219 -3.094) 28.389 17.633 ( 7.406 -12.027 -1.831) 14.243 17.633 ( 7.406 12.027 -1.831) 14.243 19.292 ( 13.441 -4.261 -29.932) 33.086 19.292 ( 13.441 4.261 -29.932) 33.086 ======================= Grid point 407 (215/312) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.077 ( -8.569 -8.092 7.990) 14.239 4.077 ( -8.569 8.092 7.990) 14.239 4.328 ( 0.692 -14.201 13.962) 19.927 4.328 ( 0.692 14.201 13.962) 19.927 5.299 ( 2.817 -4.494 1.498) 5.512 5.299 ( 2.817 4.494 1.498) 5.512 5.723 ( -0.934 -20.480 -1.628) 20.565 5.723 ( -0.934 20.480 -1.628) 20.565 6.853 ( 7.824 -10.522 -11.374) 17.358 6.853 ( 7.824 10.522 -11.374) 17.358 7.256 ( 2.502 -7.335 -5.181) 9.322 7.256 ( 2.502 7.335 -5.181) 9.322 8.229 ( 18.052 -1.912 -1.966) 18.259 8.229 ( 18.052 1.912 -1.966) 18.259 9.049 ( 5.060 -8.103 -7.349) 12.053 9.049 ( 5.060 8.103 -7.349) 12.053 10.017 ( -10.507 -7.757 1.137) 13.110 10.017 ( -10.507 7.757 1.137) 13.110 10.344 ( -13.604 -17.628 3.877) 22.602 10.344 ( -13.604 17.628 3.877) 22.602 11.196 ( -9.352 -6.884 13.098) 17.505 11.196 ( -9.352 6.884 13.098) 17.505 11.744 ( -8.704 -2.639 8.360) 12.354 11.744 ( -8.704 2.639 8.360) 12.354 12.776 ( 0.098 -4.856 26.749) 27.187 12.776 ( 0.098 4.856 26.749) 27.187 13.658 ( -4.401 -4.025 14.228) 15.427 13.658 ( -4.401 4.025 14.228) 15.427 14.063 ( -2.906 -16.090 -1.755) 16.444 14.063 ( -2.906 16.090 -1.755) 16.444 15.240 ( 0.296 -29.230 -2.237) 29.317 15.240 ( 0.296 29.230 -2.237) 29.317 17.761 ( 6.009 -15.672 -0.787) 16.803 17.761 ( 6.009 15.672 -0.787) 16.803 19.466 ( 14.531 -6.482 -31.105) 34.938 19.466 ( 14.531 6.482 -31.105) 34.938 ======================= Grid point 409 (216/312) ======================= q-point: (-0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.960 ( -5.677 -0.183 9.272) 10.874 3.960 ( -5.677 0.183 9.272) 10.874 4.465 ( 6.373 -12.078 20.071) 24.276 4.465 ( 6.373 12.078 20.071) 24.276 5.366 ( 3.715 -4.729 0.733) 6.058 5.366 ( 3.715 4.729 0.733) 6.058 5.732 ( 2.467 -19.684 -1.255) 19.878 5.732 ( 2.467 19.684 -1.255) 19.878 6.865 ( -0.508 -2.952 -16.648) 16.915 6.865 ( -0.508 2.952 -16.648) 16.915 7.276 ( 0.365 -10.038 -0.525) 10.058 7.276 ( 0.365 10.038 -0.525) 10.058 8.436 ( -0.398 -5.120 -10.257) 11.471 8.436 ( -0.398 5.120 -10.257) 11.471 9.171 ( 12.237 -6.055 0.647) 13.669 9.171 ( 12.237 6.055 0.647) 13.669 9.822 ( -10.762 -4.104 4.629) 12.413 9.822 ( -10.762 4.104 4.629) 12.413 10.184 ( -3.326 -17.888 3.097) 18.456 10.184 ( -3.326 17.888 3.097) 18.456 11.074 ( -6.953 -4.002 8.870) 11.960 11.074 ( -6.953 4.002 8.870) 11.960 11.589 ( -8.061 -4.804 3.145) 9.897 11.589 ( -8.061 4.804 3.145) 9.897 12.855 ( -1.583 -3.933 29.327) 29.632 12.855 ( -1.583 3.933 29.327) 29.632 13.598 ( -6.157 -3.130 13.575) 15.232 13.598 ( -6.157 3.130 13.575) 15.232 14.045 ( 0.840 -14.860 -1.680) 14.978 14.045 ( 0.840 14.860 -1.680) 14.978 15.238 ( 0.057 -30.153 -1.212) 30.178 15.238 ( 0.057 30.153 -1.212) 30.178 17.851 ( 3.236 -18.204 -0.133) 18.490 17.851 ( 3.236 18.204 -0.133) 18.490 19.620 ( 11.801 -7.684 -31.881) 34.852 19.620 ( 11.801 7.684 -31.881) 34.852 ======================= Grid point 451 (217/312) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 14.226 0.000 39.318) 41.812 3.023 ( 0.081 0.000 32.779) 32.780 3.614 ( -5.254 0.000 9.586) 10.931 4.366 ( -16.237 0.000 -30.523) 34.573 5.009 ( 6.150 0.000 -14.635) 15.874 5.071 ( -3.922 0.000 -17.055) 17.500 5.571 ( 1.088 0.000 39.684) 39.699 6.638 ( 0.005 0.000 -13.029) 13.029 6.852 ( -5.523 0.000 7.191) 9.067 7.212 ( 5.754 0.000 -11.159) 12.555 7.396 ( -5.555 0.000 6.973) 8.915 7.604 ( 1.894 0.000 -8.460) 8.669 8.074 ( 8.007 0.000 18.907) 20.533 8.561 ( -13.175 0.000 -9.316) 16.136 8.806 ( -0.697 0.000 27.976) 27.985 9.457 ( 2.764 0.000 9.280) 9.683 9.845 ( -1.697 0.000 19.590) 19.663 9.965 ( 9.406 0.000 6.894) 11.662 10.301 ( 0.948 0.000 15.712) 15.740 10.650 ( -0.396 0.000 14.113) 14.119 10.887 ( -8.421 0.000 -13.982) 16.322 10.915 ( 10.515 0.000 -21.984) 24.369 11.119 ( -0.066 0.000 -18.993) 18.993 11.260 ( 1.439 0.000 -11.268) 11.360 11.389 ( -3.989 0.000 2.226) 4.568 12.058 ( -3.433 0.000 -25.607) 25.836 12.819 ( -10.011 0.000 41.250) 42.447 13.331 ( -0.235 0.000 -1.723) 1.739 13.511 ( 1.090 0.000 13.826) 13.869 14.042 ( -4.236 0.000 26.379) 26.717 15.004 ( 6.279 0.000 -41.977) 42.444 15.099 ( 9.696 0.000 -25.765) 27.529 18.423 ( -6.442 0.000 18.994) 20.057 19.120 ( 3.673 0.000 -16.212) 16.623 20.150 ( 5.783 0.000 5.330) 7.865 20.372 ( -9.540 0.000 -5.631) 11.078 ======================= Grid point 452 (218/312) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 9.827 0.000 31.140) 32.654 3.397 ( 13.376 0.000 30.191) 33.021 3.614 ( 6.956 0.000 15.413) 16.910 4.023 ( -6.830 0.000 -30.615) 31.368 4.923 ( -5.746 0.000 -15.369) 16.408 5.153 ( 12.920 0.000 -11.780) 17.484 5.795 ( 8.554 0.000 35.561) 36.576 6.608 ( 1.824 0.000 -14.763) 14.875 6.793 ( -3.443 0.000 13.588) 14.017 7.265 ( -9.995 0.000 6.122) 11.721 7.296 ( 6.855 0.000 -12.846) 14.561 7.548 ( -4.996 0.000 -7.251) 8.805 8.264 ( 3.212 0.000 21.117) 21.360 8.296 ( -9.844 0.000 -7.911) 12.629 8.876 ( 0.084 0.000 17.153) 17.153 9.501 ( -3.877 0.000 15.653) 16.126 9.839 ( -1.831 0.000 10.711) 10.866 10.153 ( 5.531 0.000 8.865) 10.449 10.402 ( -0.100 0.000 19.437) 19.437 10.525 ( -9.966 0.000 -5.073) 11.183 10.797 ( -2.614 0.000 -0.050) 2.615 10.857 ( -2.843 0.000 -28.897) 29.036 11.090 ( 4.805 0.000 -15.930) 16.639 11.210 ( 0.221 0.000 -14.214) 14.216 11.568 ( 14.904 0.000 10.285) 18.108 11.879 ( -5.501 0.000 -23.250) 23.892 12.756 ( -10.644 0.000 39.644) 41.048 13.284 ( -4.278 0.000 -1.150) 4.430 13.540 ( -3.344 0.000 16.114) 16.457 14.085 ( -0.360 0.000 24.328) 24.331 14.983 ( 6.464 0.000 -42.701) 43.187 15.270 ( 16.837 0.000 -27.761) 32.467 18.377 ( -5.092 0.000 20.579) 21.200 19.151 ( 4.898 0.000 -15.149) 15.922 20.069 ( -19.191 0.000 -1.617) 19.259 20.227 ( -0.029 0.000 5.858) 5.859 ======================= Grid point 453 (219/312) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.493 ( -1.302 0.000 10.289) 10.371 3.579 ( 15.776 0.000 19.810) 25.325 3.950 ( 8.336 0.000 -16.426) 18.420 4.066 ( 21.147 0.000 31.244) 37.728 4.749 ( -7.054 0.000 -11.799) 13.747 5.403 ( 15.704 0.000 -9.985) 18.609 6.101 ( 10.305 0.000 26.013) 27.980 6.604 ( 2.572 0.000 -15.025) 15.244 6.848 ( 3.261 0.000 22.775) 23.007 7.056 ( -11.509 0.000 -1.687) 11.632 7.326 ( -8.233 0.000 -0.420) 8.244 7.423 ( 4.188 0.000 -20.304) 20.731 8.169 ( -0.413 0.000 -4.783) 4.801 8.330 ( -3.219 0.000 23.080) 23.304 8.896 ( -3.824 0.000 10.336) 11.021 9.402 ( -11.700 0.000 21.427) 24.413 9.877 ( 2.753 0.000 0.628) 2.824 10.055 ( -16.125 0.000 1.477) 16.192 10.294 ( -15.501 0.000 7.865) 17.382 10.551 ( 13.007 0.000 -4.299) 13.699 10.716 ( -2.849 0.000 -3.627) 4.613 10.811 ( 6.665 0.000 -15.876) 17.218 11.117 ( 0.194 0.000 -9.865) 9.867 11.199 ( 2.689 0.000 -11.441) 11.753 11.734 ( -2.048 0.000 -15.742) 15.875 11.905 ( 16.113 0.000 5.174) 16.923 12.679 ( -10.399 0.000 36.675) 38.121 13.159 ( -8.092 0.000 -0.884) 8.140 13.498 ( -7.065 0.000 20.529) 21.711 14.184 ( 1.791 0.000 24.685) 24.750 14.968 ( 6.960 0.000 -43.081) 43.640 15.538 ( 20.129 0.000 -30.413) 36.470 18.370 ( -3.011 0.000 22.962) 23.159 19.202 ( 5.292 0.000 -14.210) 15.163 19.665 ( -21.817 0.000 3.842) 22.152 20.186 ( -5.774 0.000 3.775) 6.899 ======================= Grid point 454 (220/312) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( -1.423 0.000 11.299) 11.388 3.967 ( 21.654 0.000 1.213) 21.688 4.162 ( 9.615 0.000 1.891) 9.799 4.547 ( 18.415 0.000 26.568) 32.326 4.629 ( 0.866 0.000 0.147) 0.879 5.643 ( 9.622 0.000 -1.135) 9.689 6.308 ( 4.155 0.000 13.657) 14.275 6.576 ( -1.685 0.000 -12.766) 12.876 6.733 ( -16.490 0.000 0.396) 16.495 7.096 ( -10.758 0.000 -3.957) 11.462 7.137 ( 12.754 0.000 8.578) 15.371 7.493 ( 7.581 0.000 -19.979) 21.369 8.248 ( 9.016 0.000 -0.921) 9.063 8.367 ( 0.832 0.000 27.037) 27.050 8.786 ( -10.027 0.000 6.713) 12.067 9.237 ( -11.550 0.000 17.938) 21.335 9.720 ( -17.583 0.000 3.158) 17.864 9.867 ( -8.250 0.000 -3.745) 9.060 10.005 ( -10.930 0.000 7.719) 13.381 10.576 ( -1.511 0.000 -23.171) 23.220 10.806 ( 0.382 0.000 -0.939) 1.013 10.925 ( 9.135 0.000 -13.881) 16.618 11.174 ( 14.570 0.000 7.275) 16.285 11.225 ( 3.527 0.000 -9.395) 10.035 11.648 ( -3.754 0.000 -12.138) 12.706 12.204 ( 13.141 0.000 1.530) 13.229 12.615 ( -8.042 0.000 33.103) 34.066 12.973 ( -10.537 0.000 -0.464) 10.547 13.418 ( -8.978 0.000 25.172) 26.726 14.314 ( 2.306 0.000 26.879) 26.978 14.961 ( 7.442 0.000 -43.076) 43.715 15.805 ( 17.423 0.000 -33.259) 37.547 18.426 ( 0.644 0.000 25.859) 25.867 19.255 ( 4.938 0.000 -13.376) 14.258 19.286 ( -18.690 0.000 8.240) 20.426 20.039 ( -9.576 0.000 -0.470) 9.587 ======================= Grid point 455 (221/312) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( -1.168 0.000 13.825) 13.874 4.125 ( -8.421 0.000 -3.861) 9.264 4.461 ( 27.246 0.000 1.185) 27.272 4.889 ( 17.710 0.000 17.866) 25.157 4.955 ( 14.732 0.000 18.507) 23.654 5.722 ( -4.379 0.000 15.064) 15.687 6.289 ( -14.024 0.000 4.630) 14.769 6.425 ( -9.658 0.000 -7.490) 12.222 6.503 ( 0.740 0.000 -9.621) 9.649 6.937 ( -3.240 0.000 -10.854) 11.328 7.277 ( -0.955 0.000 -2.175) 2.376 7.570 ( 7.452 0.000 -19.966) 21.311 8.483 ( 13.994 0.000 1.922) 14.126 8.563 ( -5.430 0.000 15.780) 16.688 8.645 ( 7.407 0.000 21.395) 22.641 9.096 ( -8.123 0.000 13.970) 16.160 9.427 ( -13.014 0.000 5.605) 14.170 9.589 ( -14.388 0.000 3.452) 14.797 9.901 ( -6.417 0.000 2.302) 6.817 10.461 ( -0.164 0.000 -31.683) 31.683 10.725 ( -5.806 0.000 9.695) 11.301 11.052 ( 9.054 0.000 -17.010) 19.269 11.271 ( 4.353 0.000 -8.112) 9.207 11.479 ( -8.825 0.000 -8.814) 12.472 11.624 ( 23.751 0.000 6.740) 24.688 12.381 ( 2.485 0.000 -2.084) 3.243 12.592 ( -5.336 0.000 28.360) 28.858 12.788 ( -5.841 0.000 0.532) 5.865 13.326 ( -9.858 0.000 28.489) 30.146 14.443 ( 0.666 0.000 30.159) 30.166 14.964 ( 7.829 0.000 -42.789) 43.499 15.948 ( 8.570 0.000 -35.166) 36.195 18.588 ( 7.039 0.000 27.865) 28.740 19.013 ( -12.785 0.000 10.956) 16.837 19.300 ( 4.311 0.000 -12.492) 13.215 19.830 ( -10.325 0.000 -5.818) 11.852 ======================= Grid point 456 (222/312) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.553 ( -0.524 0.000 16.784) 16.792 3.909 ( -12.274 0.000 0.260) 12.277 4.993 ( 24.169 0.000 6.859) 25.123 5.062 ( -14.775 0.000 1.999) 14.910 5.277 ( 14.536 0.000 15.017) 20.900 5.698 ( 2.689 0.000 20.121) 20.299 6.026 ( -13.084 0.000 14.360) 19.427 6.216 ( -7.732 0.000 -5.397) 9.429 6.504 ( 0.028 0.000 -15.115) 15.115 6.865 ( -0.218 0.000 -14.131) 14.133 7.162 ( -6.714 0.000 -3.406) 7.529 7.646 ( 7.166 0.000 -19.140) 20.437 8.416 ( -8.618 0.000 13.998) 16.438 8.733 ( 9.471 0.000 -1.107) 9.536 8.820 ( -8.630 0.000 14.829) 17.157 9.034 ( -4.148 0.000 20.270) 20.690 9.421 ( 13.456 0.000 11.530) 17.720 9.433 ( -0.674 0.000 2.776) 2.856 9.741 ( -9.925 0.000 -0.915) 9.968 10.362 ( -1.576 0.000 -18.535) 18.601 10.714 ( 4.138 0.000 -1.302) 4.338 11.146 ( 6.231 0.000 -16.821) 17.938 11.265 ( -9.853 0.000 -3.496) 10.455 11.346 ( 6.444 0.000 -8.961) 11.038 12.076 ( 19.285 0.000 4.080) 19.712 12.219 ( -15.337 0.000 -3.961) 15.841 12.593 ( -3.219 0.000 22.525) 22.754 12.822 ( 6.740 0.000 -0.299) 6.747 13.233 ( -10.011 0.000 31.699) 33.242 14.526 ( -3.696 0.000 33.555) 33.758 14.974 ( 8.145 0.000 -42.283) 43.060 15.894 ( -1.487 0.000 -34.561) 34.593 18.830 ( -4.979 0.000 21.403) 21.974 18.920 ( 11.743 0.000 17.751) 21.283 19.340 ( 4.036 0.000 -11.379) 12.074 19.620 ( -7.957 0.000 -10.860) 13.464 ======================= Grid point 457 (223/312) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.611 ( -0.048 0.000 19.615) 19.616 3.663 ( -14.311 0.000 7.296) 16.064 4.501 ( -36.929 0.000 -2.995) 37.051 5.345 ( 6.864 0.000 11.064) 13.020 5.496 ( 4.459 0.000 -1.742) 4.787 5.779 ( -9.052 0.000 21.209) 23.060 5.908 ( -4.673 0.000 -2.227) 5.177 6.185 ( 7.999 0.000 -0.664) 8.027 6.460 ( 4.410 0.000 3.294) 5.504 6.839 ( 2.606 0.000 -13.742) 13.987 7.072 ( -1.798 0.000 -0.770) 1.956 7.704 ( 4.480 0.000 -17.621) 18.182 8.345 ( -4.655 0.000 16.820) 17.452 8.558 ( -18.348 0.000 13.171) 22.586 8.852 ( 6.177 0.000 -5.164) 8.051 9.031 ( -4.614 0.000 26.537) 26.935 9.535 ( -8.587 0.000 -0.895) 8.634 9.611 ( 14.767 0.000 -0.371) 14.771 9.784 ( 14.814 0.000 6.543) 16.194 10.272 ( -2.893 0.000 -2.535) 3.847 10.882 ( 15.329 0.000 -16.528) 22.542 11.103 ( -5.817 0.000 0.558) 5.844 11.166 ( 0.603 0.000 -13.939) 13.952 11.452 ( 7.437 0.000 -10.283) 12.691 11.861 ( -18.332 0.000 -5.398) 19.110 12.320 ( 3.083 0.000 3.371) 4.568 12.667 ( 5.239 0.000 15.938) 16.777 12.968 ( 8.166 0.000 -2.297) 8.483 13.165 ( -8.205 0.000 34.375) 35.341 14.514 ( -9.876 0.000 35.923) 37.255 14.992 ( 8.292 0.000 -41.630) 42.448 15.687 ( -7.213 0.000 -32.119) 32.919 18.745 ( -7.160 0.000 16.190) 17.702 19.343 ( 21.177 0.000 19.289) 28.645 19.355 ( -0.448 0.000 -12.960) 12.968 19.494 ( 1.409 0.000 -11.090) 11.179 ======================= Grid point 458 (224/312) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( -15.951 0.000 15.688) 22.373 3.651 ( -11.557 0.000 15.887) 19.646 3.761 ( -28.813 0.000 7.627) 29.806 5.349 ( -7.343 0.000 5.645) 9.262 5.464 ( -2.530 0.000 -17.302) 17.486 5.613 ( -14.403 0.000 -14.241) 20.255 5.647 ( -14.224 0.000 20.210) 24.714 6.460 ( 15.318 0.000 4.443) 15.950 6.748 ( 16.069 0.000 18.573) 24.559 6.877 ( 5.983 0.000 -11.424) 12.896 7.061 ( 0.782 0.000 -1.458) 1.654 7.673 ( -1.644 0.000 -17.262) 17.340 8.187 ( -14.863 0.000 1.419) 14.930 8.427 ( -3.274 0.000 37.923) 38.064 8.949 ( 3.020 0.000 -0.368) 3.042 9.096 ( 6.294 0.000 12.188) 13.717 9.396 ( -5.819 0.000 10.893) 12.350 9.900 ( -3.011 0.000 -1.330) 3.291 9.949 ( 18.512 0.000 -2.101) 18.631 10.323 ( 7.109 0.000 5.792) 9.170 11.026 ( -12.137 0.000 -9.684) 15.527 11.043 ( 0.583 0.000 0.178) 0.610 11.135 ( 14.576 0.000 -23.827) 27.932 11.526 ( -3.309 0.000 -7.771) 8.446 11.571 ( -0.577 0.000 -10.895) 10.910 12.291 ( -3.933 0.000 -0.591) 3.977 12.826 ( 2.055 0.000 21.953) 22.049 13.113 ( 7.721 0.000 -4.001) 8.696 13.170 ( -1.718 0.000 28.096) 28.149 14.392 ( -14.832 0.000 36.437) 39.340 15.011 ( 8.072 0.000 -41.079) 41.865 15.429 ( -8.002 0.000 -29.215) 30.291 18.663 ( -7.231 0.000 16.709) 18.206 19.256 ( -2.469 0.000 -16.942) 17.121 19.586 ( 9.037 0.000 -5.939) 10.814 19.825 ( 22.021 0.000 12.038) 25.096 ======================= Grid point 459 (225/312) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( -30.511 0.000 14.574) 33.813 3.167 ( -15.142 0.000 23.895) 28.289 3.725 ( -3.394 0.000 20.640) 20.917 5.147 ( -12.900 0.000 -8.676) 15.546 5.250 ( -11.358 0.000 -28.402) 30.588 5.329 ( -3.831 0.000 -19.790) 20.157 5.520 ( -11.374 0.000 39.627) 41.227 6.673 ( 5.071 0.000 -2.592) 5.695 6.977 ( -0.232 0.000 6.024) 6.028 7.010 ( 9.723 0.000 -4.104) 10.554 7.191 ( 13.405 0.000 6.209) 14.773 7.564 ( -1.378 0.000 -18.100) 18.153 7.949 ( -9.954 0.000 8.323) 12.975 8.544 ( 0.183 0.000 43.081) 43.081 8.952 ( -2.325 0.000 -3.477) 4.183 9.265 ( 6.133 0.000 -2.541) 6.639 9.455 ( 5.754 0.000 31.812) 32.328 9.804 ( -3.706 0.000 -2.220) 4.320 10.288 ( 16.896 0.000 -4.360) 17.450 10.474 ( 4.481 0.000 10.361) 11.289 10.687 ( -16.852 0.000 -4.368) 17.409 11.092 ( 5.070 0.000 -6.957) 8.609 11.238 ( 3.336 0.000 -23.855) 24.087 11.402 ( -3.226 0.000 -10.368) 10.858 11.595 ( 1.395 0.000 -10.375) 10.468 12.221 ( -0.900 0.000 -10.221) 10.261 12.878 ( -5.926 0.000 35.761) 36.248 13.234 ( 6.056 0.000 -4.629) 7.622 13.278 ( 4.079 0.000 16.686) 17.178 14.215 ( -14.952 0.000 34.733) 37.815 15.023 ( 7.439 0.000 -40.907) 41.578 15.204 ( -4.921 0.000 -26.645) 27.095 18.578 ( -7.487 0.000 17.316) 18.866 19.169 ( -0.396 0.000 -17.705) 17.709 19.772 ( 10.981 0.000 -1.536) 11.087 20.234 ( 16.453 0.000 2.944) 16.714 ======================= Grid point 460 (226/312) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -8.340 0.000 30.678) 31.792 3.012 ( -9.576 0.000 30.052) 31.541 3.691 ( -6.238 0.000 15.397) 16.613 4.795 ( -17.253 0.000 -22.821) 28.609 5.029 ( -2.271 0.000 -21.733) 21.852 5.198 ( -3.261 0.000 -17.966) 18.259 5.484 ( -6.133 0.000 41.076) 41.532 6.684 ( -0.250 0.000 -9.542) 9.546 6.935 ( -4.411 0.000 3.514) 5.639 7.143 ( 5.178 0.000 -5.870) 7.827 7.404 ( 4.115 0.000 4.949) 6.437 7.555 ( 5.376 0.000 -13.417) 14.454 7.901 ( 1.453 0.000 16.326) 16.390 8.697 ( 0.188 0.000 40.271) 40.271 8.819 ( -9.248 0.000 -8.270) 12.406 9.362 ( 3.706 0.000 8.085) 8.894 9.709 ( 7.513 0.000 24.881) 25.991 9.802 ( 4.451 0.000 0.929) 4.547 10.349 ( -9.004 0.000 3.563) 9.683 10.573 ( 1.912 0.000 14.361) 14.488 10.661 ( 16.339 0.000 -7.448) 17.957 11.116 ( -7.323 0.000 -18.367) 19.773 11.149 ( 3.632 0.000 -15.163) 15.592 11.311 ( -2.602 0.000 -9.672) 10.016 11.527 ( -4.753 0.000 -10.293) 11.338 12.169 ( 0.023 0.000 -20.876) 20.876 12.863 ( -8.787 0.000 40.697) 41.635 13.310 ( 3.180 0.000 -3.362) 4.628 13.412 ( 4.034 0.000 13.555) 14.142 14.080 ( -9.946 0.000 30.708) 32.279 15.020 ( 6.677 0.000 -41.249) 41.785 15.078 ( 1.471 0.000 -25.266) 25.309 18.494 ( -7.254 0.000 18.006) 19.412 19.123 ( 1.798 0.000 -17.213) 17.307 19.981 ( 9.828 0.000 2.555) 10.154 20.442 ( 4.477 0.000 -4.284) 6.196 ======================= Grid point 461 (227/312) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 10.507 9.849 35.470) 38.282 3.226 ( 3.885 17.065 31.035) 35.629 3.689 ( -5.718 8.395 7.796) 12.804 4.453 ( -14.201 8.473 -27.764) 32.316 5.084 ( 3.568 6.724 -11.186) 13.530 5.144 ( -2.638 6.611 -15.557) 17.108 5.606 ( 3.008 4.276 33.764) 34.167 6.577 ( -1.371 -5.251 -12.893) 13.988 6.842 ( -2.141 -1.160 7.829) 8.199 7.223 ( 3.955 -0.811 -6.457) 7.616 7.286 ( -2.663 -10.843 5.586) 12.484 7.552 ( -0.033 -3.490 -9.950) 10.545 8.020 ( 4.020 -4.997 18.299) 19.391 8.472 ( -10.298 -8.064 -4.727) 13.907 8.853 ( -2.972 3.865 22.285) 22.812 9.454 ( 5.637 -1.050 6.180) 8.430 9.694 ( -2.781 -6.295 16.147) 17.553 10.112 ( 6.156 7.789 9.702) 13.881 10.262 ( -1.840 -6.828 6.208) 9.410 10.497 ( 3.803 -3.127 -4.030) 6.363 10.821 ( 0.412 -2.801 -8.289) 8.759 11.068 ( -0.241 -2.597 -19.387) 19.561 11.272 ( 9.488 19.118 1.673) 21.409 11.452 ( -7.726 8.490 0.542) 11.492 11.622 ( -3.357 31.923 -7.642) 32.996 12.108 ( -2.498 5.022 -21.461) 22.182 12.892 ( -9.128 7.481 36.637) 38.491 13.350 ( -0.475 2.024 -1.766) 2.728 13.549 ( -0.071 3.868 15.322) 15.803 14.035 ( -3.762 -0.481 25.343) 25.626 14.940 ( 7.111 -5.706 -30.975) 32.289 15.173 ( 8.852 6.679 -35.401) 37.097 18.349 ( -6.414 -7.368 19.530) 21.837 19.076 ( 3.658 -4.501 -16.821) 17.793 20.003 ( 3.131 -14.359 6.241) 15.967 20.274 ( -6.145 -9.741 -7.867) 13.948 ======================= Grid point 462 (228/312) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( 11.127 9.736 29.044) 32.591 3.500 ( 5.307 7.807 23.502) 25.327 3.709 ( 9.914 11.211 16.640) 22.380 4.133 ( -7.007 10.932 -28.026) 30.888 5.000 ( -5.178 7.697 -13.816) 16.641 5.212 ( 10.681 4.650 -8.509) 14.426 5.852 ( 10.635 6.300 30.269) 32.695 6.526 ( 0.773 -7.037 -13.245) 15.019 6.833 ( -1.637 2.668 11.862) 12.268 7.183 ( -9.135 -8.143 4.413) 13.009 7.279 ( 3.902 -2.675 -6.879) 8.349 7.493 ( -2.447 -4.197 -10.028) 11.143 8.184 ( 4.199 -7.999 20.608) 22.501 8.247 ( -9.005 -5.180 -6.062) 12.028 8.875 ( -1.998 0.413 16.370) 16.497 9.496 ( -6.958 -0.556 12.955) 14.715 9.681 ( -1.294 -11.707 8.680) 14.631 10.194 ( -4.087 -3.027 12.762) 13.738 10.262 ( 3.698 -1.392 -1.804) 4.344 10.529 ( -2.863 0.683 -0.923) 3.085 10.690 ( -5.496 -5.783 -16.945) 18.729 11.042 ( 3.849 6.288 -15.937) 17.559 11.340 ( 0.764 16.889 0.319) 16.909 11.477 ( 2.580 28.923 -5.754) 29.602 11.643 ( 9.821 8.387 4.613) 13.714 11.994 ( -1.388 12.647 -17.446) 21.592 12.830 ( -9.938 7.589 35.851) 37.969 13.299 ( -4.501 1.608 -0.738) 4.837 13.569 ( -3.566 3.053 17.029) 17.665 14.073 ( -0.923 -1.037 23.364) 23.405 14.981 ( 8.187 -1.375 -36.766) 37.692 15.281 ( 14.518 2.150 -32.196) 35.384 18.304 ( -5.178 -7.317 20.866) 22.710 19.099 ( 4.239 -5.282 -15.321) 16.751 19.915 ( -15.099 -14.451 2.291) 21.025 20.154 ( -2.608 -8.024 -0.291) 8.443 ======================= Grid point 463 (229/312) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( -0.601 5.367 10.818) 12.091 3.685 ( 14.769 9.480 20.592) 27.056 3.979 ( 8.893 4.825 -15.606) 18.599 4.159 ( 14.061 8.149 22.415) 27.687 4.850 ( -5.435 9.818 -9.029) 14.403 5.427 ( 13.020 1.281 -5.963) 14.378 6.171 ( 11.156 7.124 20.550) 24.444 6.517 ( 2.804 -7.730 -13.907) 16.157 6.864 ( -4.574 -1.686 20.557) 21.127 7.001 ( -5.659 -3.946 -3.891) 7.920 7.288 ( -3.210 -2.948 1.003) 4.473 7.432 ( 3.084 0.298 -16.990) 17.270 8.134 ( -0.619 -4.211 -2.084) 4.740 8.287 ( -0.482 -4.571 21.820) 22.299 8.848 ( -6.640 -3.788 9.318) 12.052 9.313 ( -13.833 -6.915 13.736) 20.684 9.665 ( -4.193 -18.148 -0.507) 18.633 10.080 ( -10.423 -9.708 7.001) 15.872 10.192 ( -13.009 10.405 3.094) 16.943 10.524 ( 10.082 -2.789 -8.102) 13.231 10.668 ( 8.259 -6.217 -16.139) 19.166 11.065 ( 0.591 23.339 0.504) 23.352 11.356 ( -1.255 13.599 -12.169) 18.291 11.468 ( 2.802 25.820 -2.558) 26.097 11.892 ( 7.295 10.843 -4.006) 13.669 11.981 ( 8.122 13.501 -2.129) 15.899 12.754 ( -9.852 7.592 33.532) 35.765 13.171 ( -8.442 1.277 -0.004) 8.538 13.531 ( -6.771 3.678 21.124) 22.486 14.156 ( 1.170 -2.762 23.798) 23.986 15.001 ( 7.549 2.931 -40.152) 40.960 15.504 ( 18.793 -3.008 -31.655) 36.936 18.296 ( -3.163 -7.553 22.802) 24.227 19.128 ( 3.316 -7.524 -12.686) 15.118 19.567 ( -19.223 -9.524 2.561) 21.605 20.084 ( -5.743 -10.159 0.931) 11.707 ======================= Grid point 464 (230/312) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.560 ( -2.009 5.690 12.523) 13.901 4.035 ( 19.593 6.454 -4.265) 21.065 4.179 ( 9.440 2.410 1.829) 9.913 4.502 ( 14.396 -0.189 15.742) 21.333 4.807 ( 3.766 12.858 10.416) 16.971 5.630 ( 7.337 -2.016 2.904) 8.144 6.364 ( 3.634 4.793 8.445) 10.368 6.503 ( -1.973 -6.926 -12.606) 14.518 6.640 ( -15.347 -8.537 1.423) 17.619 6.980 ( -3.961 -6.197 -0.237) 7.358 7.306 ( 5.226 10.160 4.023) 12.113 7.481 ( 7.569 -1.674 -18.466) 20.027 8.204 ( 6.800 -5.881 3.691) 9.718 8.381 ( 4.408 1.466 25.735) 26.151 8.669 ( -12.836 -9.606 5.276) 16.878 9.107 ( -11.391 -7.037 8.732) 15.985 9.487 ( -11.445 -28.057 -7.135) 31.130 9.869 ( -10.153 -5.633 -0.556) 11.625 9.984 ( -11.976 14.909 13.460) 23.385 10.652 ( 8.499 2.555 -22.506) 24.192 10.923 ( 14.361 0.373 -0.195) 14.367 11.077 ( 2.021 23.658 5.596) 24.395 11.227 ( -4.903 13.182 -11.571) 18.212 11.567 ( 7.391 21.132 -3.151) 22.608 11.868 ( -3.315 22.189 -9.982) 24.556 12.231 ( 11.867 3.025 3.109) 12.635 12.690 ( -7.516 7.751 30.296) 32.162 12.984 ( -10.561 1.268 1.173) 10.701 13.461 ( -8.440 4.777 25.337) 27.129 14.275 ( 2.182 -3.879 26.031) 26.408 15.008 ( 7.427 4.565 -41.277) 42.188 15.751 ( 16.763 -5.455 -33.184) 37.575 18.347 ( 0.404 -8.077 25.153) 26.421 19.094 ( -7.830 -13.159 1.632) 15.399 19.280 ( -5.912 -3.503 -7.078) 9.865 19.935 ( -9.091 -10.408 -2.537) 14.050 ======================= Grid point 465 (231/312) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( -2.379 4.388 14.355) 15.198 4.150 ( -6.230 2.783 -4.995) 8.457 4.497 ( 26.273 3.312 -2.812) 26.630 4.916 ( 21.094 2.867 16.103) 26.693 5.028 ( 9.593 6.568 19.285) 22.519 5.700 ( -3.746 -2.451 17.147) 17.722 6.211 ( -17.863 -9.210 -4.661) 20.631 6.346 ( -10.966 -3.771 0.135) 11.597 6.512 ( 1.891 -2.820 -8.139) 8.818 6.913 ( 0.191 -2.092 -9.928) 10.148 7.314 ( -5.429 3.032 -2.685) 6.773 7.583 ( 8.441 0.037 -19.746) 21.475 8.326 ( -4.120 -19.297 14.663) 24.584 8.525 ( 4.432 -0.857 0.533) 4.546 8.684 ( 15.204 6.571 26.912) 31.601 8.919 ( -10.119 -8.449 3.622) 13.671 9.251 ( -8.580 -25.221 -8.441) 27.946 9.707 ( -6.123 -5.102 -2.901) 8.481 9.820 ( -9.130 19.003 17.274) 27.256 10.676 ( 0.306 14.647 -20.240) 24.986 10.966 ( -6.075 20.564 10.125) 23.713 11.105 ( 3.010 6.491 -14.668) 16.320 11.352 ( 13.191 6.821 -3.760) 15.318 11.710 ( -4.093 21.072 -9.090) 23.311 11.778 ( 11.417 15.064 1.156) 18.937 12.378 ( 0.141 -0.031 -0.734) 0.748 12.665 ( -5.480 7.520 26.911) 28.474 12.823 ( -3.945 3.891 2.599) 6.120 13.381 ( -9.056 6.049 28.120) 30.156 14.404 ( 0.974 -3.978 29.311) 29.595 15.012 ( 7.522 4.815 -41.554) 42.502 15.886 ( 8.305 -6.289 -34.583) 36.118 18.499 ( 6.630 -9.026 26.718) 28.970 18.893 ( -11.845 -11.751 11.921) 20.507 19.250 ( 3.221 -5.261 -13.768) 15.087 19.732 ( -9.586 -9.858 -7.466) 15.646 ======================= Grid point 466 (232/312) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( -3.026 1.823 17.268) 17.625 3.979 ( -8.840 6.530 -2.058) 11.182 5.005 ( 21.686 0.835 2.784) 21.880 5.081 ( -12.856 1.584 1.276) 13.016 5.321 ( 12.654 4.483 18.418) 22.791 5.708 ( 3.784 0.911 17.560) 17.986 5.921 ( -10.545 -10.693 6.275) 16.276 6.113 ( -10.272 -7.620 5.022) 13.741 6.489 ( -1.739 -4.707 -13.688) 14.578 6.902 ( 2.408 2.938 -16.557) 16.987 7.143 ( -8.832 -1.181 -0.666) 8.935 7.678 ( 8.381 1.024 -18.781) 20.592 8.228 ( -7.206 -18.081 17.050) 25.876 8.703 ( 7.624 -3.201 -2.723) 8.705 8.730 ( -11.679 -8.017 6.999) 15.800 8.972 ( 3.050 1.963 13.925) 14.390 9.203 ( 8.592 -17.793 -1.419) 19.810 9.596 ( -4.750 -1.090 -3.813) 6.188 9.822 ( 4.451 22.130 18.741) 29.339 10.551 ( -5.360 15.000 -14.483) 21.528 10.882 ( -3.377 16.066 2.487) 16.605 11.153 ( 3.833 4.562 -9.796) 11.465 11.512 ( 5.153 17.370 -4.764) 18.734 11.570 ( -2.024 21.792 -9.622) 23.908 12.111 ( 16.973 3.603 2.101) 17.478 12.197 ( -15.449 -2.169 -2.939) 15.875 12.666 ( -2.958 7.728 23.029) 24.470 12.875 ( 6.177 5.605 1.527) 8.479 13.304 ( -9.020 7.516 30.529) 32.709 14.492 ( -3.195 -3.467 32.594) 32.934 15.018 ( 7.683 4.424 -41.307) 42.248 15.831 ( -1.542 -6.378 -34.059) 34.685 18.735 ( -6.374 -9.599 19.792) 22.902 18.800 ( 12.174 -11.878 19.406) 25.805 19.276 ( 3.971 -6.544 -13.044) 15.124 19.534 ( -6.657 -8.533 -12.171) 16.287 ======================= Grid point 467 (233/312) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.533 ( -7.808 -1.714 18.577) 20.224 3.832 ( -6.219 10.775 6.243) 13.919 4.523 ( -34.409 2.275 -4.110) 34.728 5.357 ( 5.493 0.149 8.186) 9.860 5.516 ( 2.220 1.996 5.695) 6.430 5.723 ( -7.823 -6.027 8.291) 12.894 5.819 ( -3.437 -7.289 4.273) 9.121 6.188 ( 11.720 0.103 8.455) 14.452 6.403 ( 1.514 -6.298 -2.988) 7.133 6.876 ( 1.662 2.401 -15.423) 15.697 7.051 ( -1.279 -0.944 1.244) 2.019 7.770 ( 6.488 4.708 -17.154) 18.935 8.199 ( -2.534 -15.356 23.317) 28.034 8.479 ( -15.635 -4.194 5.260) 17.021 8.795 ( 5.807 -6.894 -7.119) 11.486 9.037 ( -0.009 -0.358 19.039) 19.042 9.346 ( -1.775 -11.476 -4.477) 12.445 9.570 ( 9.802 -0.565 -3.248) 10.341 10.043 ( 8.497 19.347 12.686) 24.647 10.422 ( -3.281 14.201 -5.259) 15.495 10.877 ( 3.669 5.384 -7.654) 10.051 11.142 ( -2.759 6.066 -0.108) 6.665 11.513 ( 0.375 23.619 -12.822) 26.878 11.628 ( 5.784 16.423 -6.317) 18.522 11.866 ( -14.099 1.097 -2.971) 14.450 12.340 ( 4.086 2.153 2.405) 5.207 12.736 ( 4.166 7.253 16.211) 18.241 13.013 ( 7.475 4.927 -0.935) 9.001 13.248 ( -7.514 8.705 33.188) 35.123 14.486 ( -9.439 -2.890 34.757) 36.131 15.029 ( 7.700 3.699 -40.639) 41.527 15.627 ( -7.011 -6.102 -32.001) 33.323 18.650 ( -6.945 -9.698 16.360) 20.246 19.177 ( 15.456 -15.134 16.714) 27.337 19.282 ( 0.196 -7.299 -14.273) 16.032 19.462 ( 6.635 -4.736 -10.063) 12.951 ======================= Grid point 468 (234/312) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( -15.396 -0.841 19.005) 24.473 3.699 ( -20.749 4.132 10.970) 23.831 3.930 ( -15.182 14.495 5.689) 21.748 5.306 ( -9.521 -4.922 -0.257) 10.721 5.426 ( -7.569 -2.310 -6.528) 10.258 5.598 ( -8.464 -1.783 7.034) 11.149 5.715 ( -8.440 4.922 -0.138) 9.772 6.418 ( 12.766 -4.960 0.709) 13.714 6.639 ( 13.353 -7.724 13.991) 20.826 6.918 ( 7.525 0.083 -7.376) 10.537 7.037 ( -1.149 0.243 -1.650) 2.025 7.767 ( -1.471 8.347 -16.785) 18.803 8.210 ( -12.543 1.424 4.678) 13.463 8.292 ( 1.769 -11.696 32.366) 34.460 8.904 ( 6.342 -6.485 -3.605) 9.761 9.130 ( 1.763 3.851 12.208) 12.922 9.235 ( -1.140 -11.627 3.020) 12.066 9.813 ( 10.773 -7.676 -6.120) 14.575 10.122 ( -0.152 14.275 4.257) 14.897 10.457 ( 6.312 13.045 1.489) 14.568 10.912 ( -1.072 0.621 -8.094) 8.188 11.076 ( -2.534 2.235 -3.315) 4.733 11.325 ( -11.649 8.703 -6.372) 15.876 11.723 ( 4.535 16.948 -4.320) 18.068 11.784 ( 5.712 20.548 -11.072) 24.029 12.319 ( -4.597 3.296 0.004) 5.657 12.886 ( 3.107 6.194 18.023) 19.310 13.146 ( 6.670 4.156 -3.031) 8.424 13.260 ( -1.714 8.985 29.443) 30.831 14.366 ( -14.627 -2.695 35.126) 38.146 15.037 ( 6.877 2.301 -39.346) 40.009 15.379 ( -6.818 -4.762 -30.014) 31.145 18.573 ( -6.955 -9.083 17.029) 20.515 19.184 ( -1.570 -7.549 -17.348) 18.984 19.454 ( 10.148 -12.703 0.275) 16.261 19.751 ( 20.045 -7.626 3.613) 21.749 ======================= Grid point 469 (235/312) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -22.755 3.091 20.010) 30.459 3.312 ( -15.878 10.818 18.926) 26.969 3.858 ( -4.501 13.020 15.488) 20.728 5.062 ( -10.916 -4.710 -15.481) 19.519 5.269 ( -6.891 0.024 -3.120) 7.564 5.432 ( -6.702 5.596 -17.999) 20.005 5.562 ( -9.843 5.572 23.018) 25.647 6.613 ( 5.995 -5.929 -1.481) 8.561 6.888 ( 6.883 -9.381 8.371) 14.334 6.980 ( -0.135 -1.158 -4.605) 4.751 7.124 ( 11.008 -6.305 2.669) 12.964 7.634 ( -4.632 6.849 -14.370) 16.579 8.041 ( -7.120 7.889 5.296) 11.873 8.451 ( 1.867 -8.076 36.720) 37.644 8.951 ( -1.515 -0.145 -2.636) 3.044 9.155 ( 5.475 -10.056 -2.101) 11.641 9.451 ( 11.100 -0.463 26.643) 28.866 9.835 ( -2.085 1.028 -5.849) 6.294 10.253 ( 11.091 -1.522 -3.780) 11.816 10.547 ( -3.290 3.432 2.532) 5.386 10.721 ( -6.779 4.858 -4.840) 9.643 11.073 ( 3.046 2.210 -9.720) 10.424 11.188 ( -2.421 5.823 -2.182) 6.673 11.733 ( -1.356 14.211 -5.971) 15.474 11.851 ( 1.517 29.206 -11.034) 31.258 12.233 ( -1.289 1.221 -8.527) 8.710 12.948 ( -4.480 7.022 29.247) 30.410 13.257 ( 5.855 3.186 -3.349) 7.460 13.363 ( 2.878 8.402 18.697) 20.699 14.188 ( -14.698 -2.760 33.627) 36.803 15.012 ( 3.000 -2.466 -34.630) 34.847 15.199 ( 0.017 0.854 -31.919) 31.930 18.494 ( -7.217 -8.371 17.791) 20.945 19.111 ( 0.412 -5.892 -18.355) 19.282 19.655 ( 10.668 -11.663 0.508) 15.814 20.122 ( 15.922 -11.072 -0.598) 19.403 ======================= Grid point 470 (236/312) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( -5.673 9.956 30.357) 32.448 3.171 ( -7.275 14.219 26.678) 31.094 3.790 ( -7.244 10.286 12.389) 17.657 4.796 ( -11.671 1.418 -19.665) 22.911 5.126 ( -3.944 6.532 -13.617) 15.609 5.260 ( -3.739 6.031 -18.102) 19.444 5.513 ( -4.794 3.735 32.574) 33.136 6.644 ( -0.357 -3.665 -9.519) 10.206 6.867 ( -3.436 -4.845 5.012) 7.771 7.123 ( 7.920 -6.505 1.751) 10.397 7.274 ( 3.256 -9.953 -0.720) 10.497 7.560 ( 1.439 1.824 -9.896) 10.165 7.962 ( -3.299 4.890 11.132) 12.598 8.574 ( -1.577 -9.496 21.917) 23.938 8.876 ( -5.152 3.615 6.389) 8.969 9.300 ( 7.570 -5.640 4.652) 10.524 9.664 ( 0.068 -0.099 20.663) 20.663 9.899 ( 11.091 4.516 2.883) 12.317 10.345 ( -9.526 -3.885 1.891) 10.460 10.419 ( 6.913 -6.198 -5.972) 11.040 10.768 ( 5.471 2.830 -1.477) 6.334 11.100 ( 2.373 8.394 -5.790) 10.470 11.161 ( 1.619 3.581 -8.256) 9.144 11.629 ( -7.271 11.652 -5.464) 14.781 11.753 ( -6.108 30.799 -8.928) 32.644 12.198 ( 0.633 2.720 -18.175) 18.389 12.935 ( -7.726 7.304 35.005) 36.584 13.334 ( 3.080 2.655 -3.650) 5.465 13.474 ( 2.252 6.351 15.804) 17.180 14.061 ( -9.061 -1.862 29.797) 31.200 14.945 ( 2.694 -6.146 -29.318) 30.076 15.153 ( 6.034 6.086 -36.001) 37.007 18.416 ( -7.083 -7.741 18.587) 21.344 19.076 ( 2.288 -4.781 -17.925) 18.692 19.858 ( 9.027 -12.258 3.624) 15.649 20.319 ( 5.047 -11.974 -6.412) 14.490 ======================= Grid point 471 (237/312) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 8.907 17.632 29.140) 35.204 3.544 ( 2.083 13.668 24.117) 27.799 3.975 ( -3.946 20.532 4.983) 21.493 4.668 ( -9.117 12.814 -21.785) 26.869 5.186 ( 2.033 1.459 1.301) 2.820 5.298 ( -1.949 8.753 -12.713) 15.558 5.762 ( 7.273 11.125 17.604) 22.058 6.482 ( -4.592 -3.270 -13.105) 14.266 6.794 ( 1.343 -4.487 7.141) 8.540 7.002 ( 2.364 -16.575 8.520) 18.786 7.112 ( 2.752 -10.434 -1.458) 10.889 7.526 ( -2.760 -0.372 -11.696) 12.023 7.934 ( -5.182 -2.018 10.907) 12.243 8.281 ( -7.876 -10.817 -3.424) 13.811 8.938 ( -4.890 5.034 21.150) 22.284 9.411 ( 7.740 -2.169 7.486) 10.985 9.665 ( -7.691 1.667 6.256) 10.053 10.058 ( 3.175 -9.080 -2.291) 9.888 10.257 ( 9.559 5.110 0.830) 10.871 10.570 ( 1.570 6.820 0.243) 7.002 10.736 ( -0.246 -5.185 -8.085) 9.608 11.019 ( -3.942 -1.476 -13.575) 14.212 11.472 ( 5.679 4.866 9.214) 11.867 11.769 ( -5.143 12.313 -0.080) 13.344 12.205 ( -4.566 24.543 -1.505) 25.010 12.421 ( 1.323 32.677 -3.370) 32.877 13.089 ( -6.296 11.602 23.037) 26.551 13.419 ( -1.527 5.494 -1.938) 6.023 13.650 ( -3.326 5.572 19.197) 20.264 14.045 ( -2.515 2.612 22.900) 23.185 14.794 ( 6.776 -8.989 -23.669) 26.209 15.340 ( 8.830 9.747 -38.318) 40.512 18.150 ( -6.461 -12.476 20.981) 25.250 18.946 ( 3.402 -8.846 -17.013) 19.475 19.637 ( 0.894 -21.595 5.099) 22.207 20.010 ( -1.390 -16.737 -13.197) 21.359 ======================= Grid point 472 (238/312) ======================= q-point: ( 0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( 10.735 14.331 24.293) 30.179 3.647 ( 0.363 8.562 15.517) 17.726 4.034 ( 6.800 19.732 13.223) 24.707 4.418 ( -6.876 17.379 -23.128) 29.736 5.201 ( -3.948 11.095 -10.920) 16.060 5.271 ( 6.500 1.458 -0.484) 6.679 6.040 ( 13.825 11.767 18.962) 26.252 6.373 ( -1.397 -7.706 -13.935) 15.985 6.832 ( -1.413 -5.133 8.882) 10.356 6.965 ( -5.280 -13.652 -0.542) 14.648 7.181 ( 2.125 -4.943 5.999) 8.058 7.440 ( -0.562 -1.885 -13.607) 13.749 7.981 ( 3.490 -11.510 17.934) 21.594 8.102 ( -7.822 -8.926 -3.301) 12.319 8.910 ( -5.007 3.397 17.637) 18.646 9.466 ( -13.956 -3.408 3.524) 14.792 9.504 ( -2.789 -4.999 7.767) 9.649 10.081 ( -2.313 -2.983 1.375) 4.017 10.358 ( 1.196 4.318 -0.295) 4.491 10.528 ( 2.711 -4.745 -18.631) 19.416 10.606 ( -8.914 3.196 -1.447) 9.579 11.154 ( 16.971 5.092 -5.033) 18.419 11.621 ( 2.616 11.361 6.888) 13.541 11.731 ( 3.918 2.242 -1.385) 4.722 12.143 ( -1.347 33.440 3.673) 33.668 12.458 ( 3.147 33.220 -3.944) 33.601 13.034 ( -7.713 12.443 24.655) 28.674 13.352 ( -5.398 4.129 0.836) 6.848 13.655 ( -3.011 5.176 18.919) 19.844 14.065 ( -2.971 1.135 21.130) 21.368 14.888 ( 11.180 -8.161 -25.799) 29.278 15.386 ( 9.610 8.158 -38.468) 40.481 18.104 ( -5.607 -12.693 21.692) 25.750 18.947 ( 1.825 -10.447 -13.844) 17.439 19.565 ( -9.646 -19.848 1.783) 22.140 19.918 ( -3.347 -15.586 -9.015) 18.314 ======================= Grid point 473 (239/312) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( -0.463 7.284 13.102) 14.998 3.907 ( 14.697 12.952 17.256) 26.106 4.166 ( 4.584 13.719 -17.524) 22.722 4.360 ( 4.795 12.399 11.494) 17.573 5.086 ( -4.149 12.567 -5.175) 14.210 5.421 ( 8.132 -1.316 1.238) 8.330 6.300 ( 3.021 -5.644 -3.179) 7.147 6.378 ( 9.043 3.815 -0.947) 9.860 6.711 ( -13.538 -12.109 7.725) 19.738 6.901 ( -1.962 -8.705 0.098) 8.924 7.274 ( 7.874 0.989 -0.156) 7.937 7.416 ( 0.951 -1.412 -5.062) 5.340 7.992 ( -2.614 -9.833 2.391) 10.451 8.139 ( 5.722 -10.747 18.656) 22.277 8.814 ( -11.119 1.416 7.463) 13.466 9.200 ( -12.694 -4.562 4.311) 14.162 9.321 ( -16.185 -14.296 0.914) 21.614 9.946 ( -10.642 -2.909 0.952) 11.073 10.429 ( 6.048 -5.991 -6.011) 10.421 10.449 ( -0.105 13.602 4.237) 14.247 10.686 ( 13.783 7.226 -12.031) 19.671 11.456 ( 13.204 12.278 -1.203) 18.071 11.580 ( -4.061 13.494 -5.869) 15.265 11.865 ( 4.817 7.869 4.596) 10.308 12.202 ( 5.571 27.831 8.365) 29.590 12.483 ( 0.248 32.049 -6.055) 32.617 12.964 ( -7.805 13.633 25.502) 29.952 13.215 ( -9.158 3.506 2.716) 10.175 13.653 ( -4.475 8.743 21.779) 23.891 14.091 ( -1.243 -3.092 21.330) 21.589 15.025 ( 11.692 -2.731 -29.370) 31.730 15.467 ( 12.383 0.905 -37.355) 39.364 18.086 ( -3.751 -13.489 22.473) 26.477 18.908 ( -3.005 -15.044 -5.992) 16.470 19.333 ( -11.505 -13.175 -4.940) 18.176 19.811 ( -5.539 -17.173 -6.417) 19.151 ======================= Grid point 474 (240/312) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( -2.452 8.388 15.344) 17.658 4.198 ( 12.502 10.169 -14.397) 21.609 4.282 ( 10.939 8.310 0.709) 13.756 4.556 ( 12.889 5.271 12.284) 18.569 5.051 ( 0.731 10.515 9.224) 14.007 5.564 ( 4.102 -3.579 9.284) 10.762 6.285 ( -2.175 -12.183 -11.989) 17.231 6.435 ( -14.032 -12.067 0.638) 18.518 6.483 ( -1.348 3.391 1.259) 3.860 6.839 ( -2.865 -8.796 -0.058) 9.251 7.380 ( 2.972 -9.478 -13.103) 16.442 7.482 ( 4.788 6.256 1.409) 8.003 7.986 ( -1.589 -13.971 8.871) 16.625 8.377 ( 13.099 -5.945 19.052) 23.873 8.573 ( -10.465 0.396 -0.401) 10.480 8.978 ( -12.855 -10.209 -9.397) 18.915 9.026 ( -11.182 -9.687 9.800) 17.746 9.769 ( -6.374 0.374 0.102) 6.385 10.348 ( -7.043 17.309 12.206) 22.320 10.733 ( 18.234 4.782 -8.111) 20.522 10.960 ( 17.058 6.392 -5.764) 19.106 11.447 ( -5.873 10.924 -11.007) 16.583 11.607 ( 0.671 24.200 7.501) 25.345 11.951 ( 5.044 15.450 -1.234) 16.299 12.341 ( 0.598 11.748 1.624) 11.874 12.425 ( -0.552 29.876 -2.809) 30.012 12.919 ( -6.301 15.492 26.584) 31.407 13.038 ( -8.959 5.214 4.743) 11.400 13.627 ( -6.202 12.690 23.972) 27.823 14.171 ( 1.566 -6.376 23.415) 24.318 15.114 ( 8.551 4.888 -34.192) 35.583 15.606 ( 13.626 -8.349 -34.763) 38.260 18.121 ( -0.337 -14.702 23.328) 27.577 18.769 ( -11.086 -19.547 7.606) 23.724 19.156 ( -2.787 -8.582 -14.781) 17.317 19.654 ( -7.850 -17.644 -8.291) 21.016 ======================= Grid point 475 (241/312) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.684 ( -4.384 8.068 15.366) 17.901 4.244 ( -2.753 7.008 -8.310) 11.214 4.580 ( 22.352 5.136 -8.266) 24.378 4.990 ( 24.366 4.101 11.974) 27.457 5.153 ( 3.121 4.456 16.361) 17.242 5.635 ( -1.425 -3.283 20.199) 20.513 5.993 ( -20.505 -11.343 -3.284) 23.662 6.245 ( -12.093 -8.341 -9.032) 17.244 6.380 ( -4.060 -8.967 -0.938) 9.888 6.841 ( 3.594 -6.464 -6.682) 9.967 7.346 ( -7.176 -1.304 1.020) 7.364 7.488 ( 2.428 -11.192 -17.219) 20.680 7.949 ( -4.069 -14.582 8.027) 17.136 8.522 ( 5.323 -0.494 -2.876) 6.071 8.616 ( 1.400 -26.134 -9.404) 27.810 8.801 ( -6.967 -5.999 4.460) 10.218 8.963 ( 8.228 13.421 19.171) 24.806 9.710 ( -0.395 7.706 0.817) 7.759 10.260 ( -5.918 22.535 15.372) 27.913 10.956 ( 4.569 12.482 -11.774) 17.757 11.218 ( 7.290 9.009 -5.458) 12.810 11.352 ( 0.198 11.010 -0.937) 11.051 11.632 ( 4.713 24.558 7.553) 26.122 12.058 ( 6.642 12.383 -4.892) 14.879 12.190 ( -8.830 20.222 -6.616) 23.036 12.419 ( -6.591 8.114 -0.755) 10.481 12.874 ( -5.812 12.629 28.423) 31.641 12.984 ( 0.544 14.816 7.387) 16.564 13.583 ( -6.601 15.076 24.266) 29.321 14.294 ( 1.767 -6.995 26.688) 27.646 15.138 ( 6.774 7.457 -37.043) 38.388 15.705 ( 7.419 -12.003 -33.714) 36.548 18.246 ( 5.377 -16.596 23.484) 29.254 18.583 ( -10.914 -19.232 14.360) 26.366 19.099 ( 1.831 -9.897 -17.672) 20.337 19.465 ( -7.603 -16.851 -12.110) 22.100 ======================= Grid point 476 (242/312) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.644 ( -5.606 6.474 17.166) 19.183 4.138 ( -4.512 9.246 -5.942) 11.881 5.013 ( 18.297 -0.055 -1.805) 18.386 5.111 ( -12.728 1.200 0.743) 12.806 5.424 ( 9.826 4.408 17.736) 20.750 5.655 ( -8.031 -14.276 4.003) 16.862 5.730 ( 4.311 1.178 12.122) 12.920 5.957 ( -9.982 -8.350 10.555) 16.756 6.301 ( -3.056 -13.507 -11.897) 18.257 6.899 ( 5.392 -4.903 -14.279) 16.031 7.118 ( -12.657 -2.587 2.045) 13.080 7.544 ( 5.758 -15.488 -4.077) 17.019 7.934 ( 1.724 -8.668 -2.652) 9.227 8.517 ( 0.617 -18.784 -16.787) 25.200 8.608 ( -8.416 -5.633 4.635) 11.137 8.763 ( 9.327 -10.274 -1.955) 14.013 9.251 ( 8.272 16.796 19.115) 26.756 9.712 ( -0.708 12.251 -1.633) 12.380 10.281 ( 3.279 23.760 17.437) 29.654 10.850 ( -6.230 14.016 -12.485) 19.777 11.271 ( -8.161 19.487 3.692) 21.447 11.317 ( 3.263 13.171 -1.368) 13.638 11.856 ( 11.031 17.930 1.198) 21.086 12.021 ( -4.207 16.567 -2.930) 17.342 12.161 ( -16.080 1.566 -1.795) 16.255 12.222 ( 10.173 9.565 -5.587) 15.039 12.902 ( -2.390 15.871 27.709) 32.022 13.057 ( 4.245 13.985 5.546) 15.632 13.540 ( -6.204 16.884 24.225) 30.173 14.395 ( -1.865 -6.321 29.651) 30.374 15.136 ( 6.155 7.019 -37.647) 38.787 15.648 ( -1.391 -12.242 -33.174) 35.388 18.448 ( -4.733 -20.188 14.142) 25.099 18.498 ( 8.437 -17.555 24.446) 31.257 19.093 ( 3.416 -11.777 -17.516) 21.382 19.303 ( -3.258 -14.671 -15.849) 21.841 ======================= Grid point 477 (243/312) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.571 ( -8.614 5.541 18.919) 21.513 4.043 ( -5.598 10.540 2.383) 12.170 4.590 ( -26.810 4.595 -7.974) 28.346 5.320 ( -0.341 -4.072 12.117) 12.788 5.522 ( 1.336 -9.848 0.350) 9.945 5.543 ( -10.178 -4.377 2.629) 11.387 5.704 ( 2.687 -3.878 16.463) 17.125 6.182 ( 5.662 -5.047 -7.649) 10.772 6.246 ( 11.471 -3.912 7.110) 14.051 6.867 ( -2.968 -3.832 -11.475) 12.457 7.038 ( 3.536 -2.476 -1.003) 4.432 7.679 ( 8.005 -16.951 9.883) 21.191 7.981 ( 4.304 -2.951 -8.281) 9.788 8.421 ( -11.058 -2.700 3.086) 11.794 8.528 ( 6.032 -18.388 -14.110) 23.950 8.939 ( 7.810 -6.641 0.045) 10.252 9.370 ( -1.646 13.183 11.741) 17.730 9.668 ( -0.769 10.532 -5.452) 11.885 10.437 ( 3.622 19.931 13.554) 24.374 10.742 ( -0.539 15.419 -8.116) 17.433 11.124 ( -5.682 18.992 0.799) 19.840 11.291 ( -6.408 8.547 2.055) 10.878 11.787 ( -18.145 3.734 -1.477) 18.584 11.999 ( 3.389 14.280 0.344) 14.681 12.040 ( 6.142 20.007 -2.159) 21.040 12.424 ( 8.405 8.140 -0.058) 11.701 12.963 ( 1.173 16.215 17.825) 24.125 13.174 ( 5.620 11.797 5.436) 14.152 13.511 ( -5.360 18.226 26.067) 32.255 14.403 ( -8.226 -5.477 31.120) 32.651 15.120 ( 4.782 4.569 -35.923) 36.527 15.460 ( -5.077 -10.226 -33.044) 34.961 18.380 ( -6.066 -17.525 16.927) 25.108 18.798 ( 11.392 -22.920 16.306) 30.347 19.085 ( 2.118 -12.353 -17.911) 21.861 19.297 ( 9.237 -11.848 -14.561) 20.922 ======================= Grid point 478 (244/312) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.428 ( -13.289 7.020 19.941) 24.971 3.814 ( -20.400 7.784 10.732) 24.330 4.241 ( -5.250 16.353 -3.564) 17.541 5.193 ( -10.574 -5.994 -0.614) 12.170 5.327 ( -9.284 -8.132 8.285) 14.865 5.550 ( -2.596 -3.729 -0.925) 4.637 5.780 ( -1.632 0.655 6.432) 6.668 6.273 ( 10.115 -8.608 -3.689) 13.785 6.512 ( 8.119 -4.211 7.680) 11.943 6.851 ( 4.402 -6.097 -3.499) 8.294 7.080 ( 0.277 1.817 -6.291) 6.554 7.904 ( 7.042 -2.731 -4.243) 8.663 8.034 ( 4.143 -6.532 14.962) 16.843 8.242 ( -6.249 0.258 2.861) 6.877 8.654 ( 10.621 -16.213 -8.459) 21.148 9.072 ( 4.587 -5.206 -1.467) 7.092 9.281 ( -5.490 12.091 6.935) 14.981 9.715 ( 6.636 0.357 -6.744) 9.468 10.423 ( -7.447 15.151 6.203) 17.985 10.737 ( -0.362 11.798 -4.720) 12.712 11.026 ( -10.139 6.675 -5.280) 13.238 11.172 ( 0.846 11.838 1.898) 12.019 11.497 ( -11.603 9.756 5.809) 16.235 12.060 ( 1.410 13.645 2.317) 13.912 12.166 ( 6.982 14.746 -1.362) 16.372 12.500 ( -0.496 18.403 2.143) 18.534 13.066 ( 3.643 12.335 10.267) 16.457 13.296 ( 5.410 11.428 -0.300) 12.648 13.526 ( -2.315 18.336 29.889) 35.141 14.289 ( -13.936 -5.137 30.869) 34.257 15.046 ( -1.843 -4.385 -29.280) 29.664 15.296 ( 1.965 -0.946 -36.769) 36.834 18.323 ( -5.978 -15.925 17.996) 24.763 18.943 ( 2.480 -18.051 -9.644) 20.615 19.154 ( 9.336 -15.783 -2.822) 18.553 19.533 ( 17.383 -14.297 -8.882) 24.196 ======================= Grid point 479 (245/312) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( -14.921 12.764 21.351) 29.008 3.539 ( -11.202 12.328 17.722) 24.321 4.183 ( -3.861 18.931 3.809) 19.693 4.999 ( -6.681 -2.001 -8.898) 11.306 5.219 ( -5.594 -5.063 11.310) 13.596 5.476 ( -2.651 -0.852 -9.320) 9.727 5.709 ( -5.651 7.062 3.771) 9.799 6.461 ( 8.251 -8.794 -0.188) 12.060 6.659 ( 5.964 -12.283 8.687) 16.184 6.958 ( 2.939 -8.018 -3.914) 9.394 7.005 ( -2.498 0.781 -2.716) 3.772 7.788 ( -7.878 7.312 -13.369) 17.154 8.194 ( -1.435 3.796 -3.127) 5.123 8.277 ( 4.749 -6.529 29.662) 30.741 8.876 ( 12.244 -9.794 1.387) 15.741 9.014 ( -1.800 -0.210 -6.769) 7.007 9.441 ( 12.983 0.515 18.079) 22.264 9.811 ( 5.568 -1.674 -11.248) 12.662 10.282 ( -6.703 3.362 -1.751) 7.700 10.574 ( -12.268 1.341 -1.818) 12.475 10.874 ( -1.363 8.987 -9.794) 13.362 11.257 ( 3.679 11.028 3.547) 12.154 11.344 ( -6.886 11.621 5.494) 14.583 12.040 ( -4.714 11.676 2.836) 12.907 12.276 ( 3.905 9.946 -1.297) 10.763 12.465 ( -2.361 29.720 0.635) 29.820 13.134 ( -1.144 11.263 13.027) 17.258 13.376 ( 4.116 9.483 -4.266) 11.183 13.613 ( 0.146 17.302 25.839) 31.097 14.110 ( -13.588 -5.080 30.019) 33.341 14.891 ( -3.096 -9.475 -24.476) 26.428 15.272 ( 7.506 6.034 -38.543) 39.728 18.267 ( -6.350 -14.296 19.124) 24.707 18.937 ( 2.718 -12.225 -17.621) 21.618 19.348 ( 9.977 -18.496 1.645) 21.080 19.832 ( 14.990 -17.866 -9.332) 25.120 ======================= Grid point 480 (246/312) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( -1.806 18.272 27.551) 33.109 3.471 ( -3.423 15.155 22.356) 27.224 4.084 ( -7.319 18.971 4.356) 20.796 4.864 ( -4.977 5.077 -12.554) 14.427 5.177 ( -2.121 -1.487 6.492) 6.989 5.383 ( -2.244 4.647 -15.742) 16.566 5.655 ( -1.113 9.967 10.710) 14.673 6.562 ( 2.273 -4.715 -6.201) 8.115 6.791 ( -1.939 -3.650 9.801) 10.637 6.866 ( 3.254 -14.904 1.194) 15.301 7.076 ( 3.384 -11.282 -2.066) 11.958 7.622 ( -4.517 3.066 -9.884) 11.292 8.078 ( -8.986 6.825 -0.253) 11.286 8.373 ( -2.177 -10.310 12.111) 16.053 8.947 ( -1.879 3.797 11.776) 12.515 9.191 ( 12.484 -4.221 4.786) 14.020 9.700 ( 2.459 2.715 14.216) 14.680 9.931 ( 12.550 -1.508 -3.314) 13.067 10.143 ( -3.236 -9.660 -9.060) 13.633 10.476 ( 2.547 7.139 1.799) 7.790 10.812 ( -2.490 1.210 -9.534) 9.928 11.186 ( -7.250 3.719 -4.957) 9.538 11.365 ( 3.192 10.551 6.901) 13.006 11.908 ( -8.562 11.306 1.358) 14.246 12.286 ( -2.131 15.948 -1.917) 16.204 12.432 ( -1.025 31.596 -1.879) 31.669 13.125 ( -4.731 11.221 18.793) 22.394 13.425 ( 2.156 7.047 -4.859) 8.827 13.656 ( -3.919 11.609 21.566) 24.803 14.023 ( -5.199 -1.017 27.185) 27.697 14.792 ( 1.505 -9.257 -23.006) 24.844 15.300 ( 8.603 8.577 -38.337) 40.216 18.208 ( -6.617 -13.031 20.157) 24.898 18.937 ( 3.561 -9.548 -18.306) 20.951 19.532 ( 7.495 -19.948 3.846) 21.654 20.010 ( 6.695 -18.820 -12.439) 23.532 ======================= Grid point 481 (247/312) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.663 ( 6.662 19.052 20.656) 28.880 3.781 ( -0.654 11.664 17.579) 21.107 4.412 ( -2.552 22.563 3.897) 23.039 4.915 ( -2.072 11.218 -15.259) 19.052 5.154 ( 1.359 -2.919 7.846) 8.481 5.429 ( 2.622 3.586 -9.191) 10.208 5.956 ( 8.924 6.343 12.220) 16.407 6.465 ( -6.450 -2.289 -8.195) 10.677 6.611 ( 3.932 -12.108 -3.452) 13.190 6.745 ( -3.490 -7.057 -1.586) 8.031 6.898 ( 8.016 -9.364 10.184) 15.989 7.475 ( -5.484 -4.950 -8.700) 11.413 7.961 ( -11.692 3.195 -3.596) 12.643 8.080 ( -6.854 -8.895 -4.220) 11.996 9.079 ( -6.736 10.535 24.330) 27.355 9.398 ( 6.627 0.885 7.896) 10.347 9.675 ( -10.039 -2.181 -2.793) 10.646 9.964 ( 11.021 0.494 -3.198) 11.487 10.308 ( 14.807 -0.624 0.097) 14.820 10.518 ( -10.600 -10.147 -12.383) 19.200 10.814 ( 4.565 10.665 6.314) 13.208 11.034 ( -6.995 3.581 -5.341) 9.501 11.516 ( 4.169 -0.688 8.848) 9.805 11.800 ( -3.658 -4.633 -3.938) 7.096 12.798 ( -1.896 31.656 14.958) 35.063 13.030 ( 0.760 24.742 10.008) 26.700 13.319 ( -3.304 12.686 8.377) 15.557 13.588 ( -3.077 12.299 -1.464) 12.762 13.722 ( -5.356 1.748 19.905) 20.687 14.172 ( -2.554 9.490 19.980) 22.266 14.618 ( 5.040 -7.446 -17.182) 19.392 15.508 ( 8.615 5.743 -35.021) 36.519 17.905 ( -6.539 -10.968 21.964) 25.406 18.717 ( 1.520 -15.332 -9.166) 17.928 19.241 ( 2.974 -16.761 -7.228) 18.494 19.653 ( 2.022 -18.993 -19.988) 27.647 ======================= Grid point 482 (248/312) ======================= q-point: ( 0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( -0.397 9.305 14.369) 17.124 3.915 ( 9.186 15.563 15.205) 23.618 4.421 ( 1.094 19.405 7.462) 20.819 4.776 ( -5.213 18.584 -18.814) 26.954 5.214 ( 2.226 -3.535 2.920) 5.097 5.443 ( 1.763 9.390 -6.353) 11.473 6.167 ( 2.101 -1.726 2.913) 3.985 6.318 ( 1.668 2.081 0.016) 2.668 6.616 ( -4.993 -14.051 -0.378) 14.916 6.692 ( 1.399 -11.821 -8.200) 14.454 7.134 ( 8.502 -2.346 14.657) 17.106 7.346 ( -2.731 -8.653 -11.823) 14.904 7.797 ( -5.097 -6.326 7.728) 11.213 7.954 ( -4.930 -4.741 1.272) 6.957 9.011 ( -7.332 7.071 20.935) 23.282 9.412 ( -9.511 -0.779 -0.011) 9.542 9.435 ( -13.871 -3.415 1.554) 14.369 10.092 ( 3.677 2.247 0.101) 4.310 10.284 ( -10.392 -8.193 -10.129) 16.665 10.530 ( 7.809 3.362 -3.091) 9.047 10.735 ( 2.272 8.174 -2.378) 8.810 11.251 ( 18.004 4.773 1.347) 18.674 11.675 ( 8.048 -4.212 5.074) 10.405 11.806 ( 5.166 5.264 -0.024) 7.376 12.804 ( -2.622 32.068 14.340) 35.226 13.080 ( 0.831 26.000 6.686) 26.859 13.283 ( -3.711 13.430 10.648) 17.536 13.490 ( -7.757 11.279 6.685) 15.234 13.728 ( -0.751 1.665 16.588) 16.688 14.162 ( -4.808 8.890 18.389) 20.984 14.696 ( 9.596 -9.849 -18.732) 23.237 15.541 ( 7.062 5.588 -35.755) 36.872 17.850 ( -6.640 -11.649 21.982) 25.749 18.680 ( -3.236 -17.306 -4.491) 18.169 19.214 ( -2.390 -14.429 -11.340) 18.507 19.581 ( -2.349 -17.933 -17.875) 25.429 ======================= Grid point 483 (249/312) ======================= q-point: ( 0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.831 ( 0.259 8.850 13.239) 15.927 4.169 ( 12.716 12.674 9.701) 20.406 4.462 ( 1.852 15.490 -9.287) 18.155 4.645 ( -2.614 16.828 -2.585) 17.225 5.217 ( -2.642 -0.571 -1.151) 2.938 5.484 ( 3.436 9.574 3.412) 10.729 6.081 ( -2.529 -12.268 -11.586) 17.062 6.409 ( -6.019 -13.807 0.041) 15.062 6.506 ( -1.129 -1.568 8.469) 8.687 6.693 ( 0.427 -9.358 -7.130) 11.772 7.170 ( -1.637 -11.236 -15.043) 18.847 7.439 ( 7.814 -0.631 11.885) 14.238 7.762 ( -2.507 -11.692 7.258) 13.988 7.957 ( 3.750 -4.828 12.966) 14.334 8.890 ( -13.377 4.657 7.414) 15.987 9.107 ( -14.092 -5.309 2.583) 15.279 9.176 ( -13.949 0.403 0.195) 13.956 9.988 ( -9.871 5.374 -0.621) 11.256 10.289 ( 11.634 -6.559 0.680) 13.373 10.649 ( 6.017 6.089 0.382) 8.569 10.933 ( 15.669 16.103 -5.791) 23.203 11.548 ( 10.385 -0.099 -1.869) 10.552 11.828 ( 7.541 8.527 -1.653) 11.503 11.965 ( 8.322 5.008 8.136) 12.670 12.776 ( -5.375 27.502 10.989) 30.100 13.082 ( -2.684 25.907 1.845) 26.111 13.263 ( -2.080 15.810 14.267) 21.397 13.340 ( -10.852 11.984 13.940) 21.347 13.801 ( 2.063 2.984 18.125) 18.484 14.122 ( -5.393 9.513 17.552) 20.680 14.865 ( 14.287 -12.224 -20.302) 27.671 15.539 ( 5.638 4.047 -37.126) 37.769 17.806 ( -5.289 -13.663 21.647) 26.139 18.556 ( -9.251 -20.415 3.194) 22.640 19.096 ( -3.724 -10.387 -17.930) 21.053 19.452 ( -4.967 -18.564 -15.981) 24.994 ======================= Grid point 484 (250/312) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.880 ( -1.081 9.998 15.726) 18.667 4.433 ( 5.709 13.648 -16.146) 21.899 4.474 ( 11.883 9.805 -6.066) 16.557 4.685 ( 6.812 7.545 8.819) 13.457 5.151 ( -3.074 -0.050 4.700) 5.616 5.572 ( 1.524 5.487 14.657) 15.724 6.016 ( -1.258 -15.209 -12.515) 19.736 6.179 ( -14.142 -13.919 0.829) 19.860 6.499 ( -6.065 -2.549 0.443) 6.594 6.647 ( -1.896 -8.988 -3.543) 9.845 7.101 ( 1.540 -16.954 -15.368) 22.935 7.503 ( -5.595 -8.818 2.923) 10.845 7.751 ( -1.152 -7.497 6.997) 10.319 8.119 ( 5.443 -13.196 6.113) 15.528 8.605 ( -10.745 2.085 -2.802) 11.298 8.880 ( -11.299 -6.023 -2.582) 13.062 9.070 ( 2.802 15.085 15.782) 22.011 9.897 ( -0.435 10.480 4.254) 11.319 10.514 ( 7.072 0.259 7.562) 10.357 10.835 ( 14.414 5.041 -0.171) 15.271 11.220 ( 14.690 18.440 -4.235) 23.953 11.605 ( -1.706 5.653 -5.044) 7.765 11.972 ( 6.289 11.939 2.417) 13.709 12.128 ( 5.653 3.930 3.019) 7.518 12.657 ( -9.665 20.561 5.192) 23.305 12.980 ( -8.154 22.447 -1.233) 23.914 13.190 ( -9.182 14.585 21.893) 27.863 13.308 ( 0.333 21.024 17.982) 27.667 13.915 ( 2.223 10.022 19.371) 21.923 14.089 ( -3.245 5.016 16.951) 17.973 15.079 ( 13.874 -10.783 -21.477) 27.750 15.513 ( 5.067 -0.097 -38.235) 38.569 17.804 ( -2.130 -16.489 21.060) 26.832 18.361 ( -12.342 -21.595 10.354) 26.942 18.973 ( -1.651 -9.426 -22.114) 24.095 19.285 ( -6.289 -19.059 -16.584) 26.035 ======================= Grid point 485 (251/312) ======================= q-point: ( 0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.874 ( -4.672 11.442 15.021) 19.452 4.413 ( -1.738 9.563 -13.087) 16.301 4.694 ( 15.849 6.471 -10.550) 20.109 5.036 ( 21.696 -1.494 8.366) 23.301 5.159 ( 1.293 -1.879 10.886) 11.122 5.617 ( -3.689 1.308 18.130) 18.548 5.806 ( -17.550 -7.713 5.084) 19.833 5.996 ( -3.947 -15.607 -12.536) 20.403 6.234 ( -17.235 -5.635 0.010) 18.133 6.658 ( 3.620 -10.352 -5.747) 12.382 7.141 ( 6.179 -17.173 -15.675) 24.058 7.280 ( -14.631 -12.359 0.401) 19.157 7.753 ( 0.207 -6.252 0.569) 6.281 8.161 ( 1.125 -15.880 -7.493) 17.595 8.533 ( 2.824 0.280 -1.913) 3.422 8.678 ( -8.836 -5.510 0.425) 10.422 9.334 ( 14.618 21.099 18.895) 31.872 9.959 ( 3.727 15.309 5.323) 16.631 10.614 ( 1.562 12.181 11.415) 16.767 11.089 ( 6.748 1.655 -3.178) 7.641 11.452 ( 9.010 14.928 -0.466) 17.443 11.557 ( 2.087 10.905 -2.514) 11.384 12.064 ( 2.232 11.365 5.580) 12.856 12.199 ( 1.659 3.651 -1.313) 4.220 12.453 ( -11.926 17.411 2.233) 21.222 12.770 ( -11.190 20.529 -4.856) 23.879 13.155 ( -4.612 16.486 34.404) 38.428 13.384 ( 1.561 23.737 12.683) 26.958 13.966 ( -2.823 23.329 15.058) 27.910 14.151 ( 2.211 -6.709 21.783) 22.900 15.214 ( 7.563 -5.304 -24.134) 25.841 15.478 ( 4.294 -6.745 -37.678) 38.517 17.877 ( 2.660 -20.036 19.854) 28.332 18.182 ( -9.945 -21.007 15.443) 27.905 18.887 ( 0.744 -11.103 -23.327) 25.846 19.111 ( -4.966 -18.371 -18.925) 26.838 ======================= Grid point 486 (252/312) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.819 ( -6.113 11.314 15.117) 19.847 4.321 ( -2.893 8.840 -8.821) 12.819 5.008 ( 14.185 -0.348 -3.451) 14.603 5.121 ( -10.712 0.088 1.387) 10.802 5.290 ( -5.918 -14.952 5.694) 17.059 5.562 ( -0.581 0.357 13.827) 13.843 5.759 ( -2.556 2.494 10.567) 11.155 5.807 ( 5.994 -6.360 4.891) 10.015 6.017 ( -3.113 -13.958 -8.539) 16.657 6.725 ( 5.869 -10.520 -10.282) 15.838 6.956 ( -13.344 -15.093 -1.589) 20.208 7.268 ( 6.433 -11.738 -7.055) 15.131 7.780 ( 4.046 -7.476 -6.814) 10.894 8.156 ( 1.972 -13.835 -10.882) 17.712 8.531 ( -5.513 -2.066 1.245) 6.017 8.659 ( 8.710 -3.431 -2.590) 9.713 9.640 ( 8.851 21.244 16.155) 28.118 10.009 ( -0.977 16.397 0.601) 16.437 10.698 ( 3.024 17.373 13.208) 22.032 11.047 ( -5.345 5.489 -6.072) 9.776 11.504 ( -3.023 10.821 5.066) 12.325 11.671 ( 3.564 14.952 -0.504) 15.379 12.054 ( -8.875 -1.561 4.735) 10.179 12.231 ( 3.322 8.273 -0.136) 8.916 12.269 ( -5.847 15.934 6.764) 18.271 12.603 ( -0.847 23.693 -6.637) 24.619 13.225 ( -1.219 16.615 37.443) 40.982 13.441 ( 0.751 24.093 7.634) 25.284 13.950 ( -3.240 24.307 12.858) 27.689 14.259 ( -0.253 -6.978 24.973) 25.930 15.212 ( 0.850 -5.554 -25.111) 25.732 15.411 ( 2.254 -6.580 -37.666) 38.302 18.002 ( 0.094 -23.828 16.387) 28.920 18.128 ( 1.428 -20.064 19.658) 28.126 18.843 ( 2.722 -13.034 -23.562) 27.064 18.992 ( 0.682 -16.315 -21.227) 26.781 ======================= Grid point 487 (253/312) ======================= q-point: (-0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.740 ( -7.570 11.582 16.727) 21.708 4.238 ( -6.480 9.447 1.819) 11.599 4.689 ( -16.940 4.618 -13.567) 22.189 5.203 ( -3.479 -7.717 18.710) 20.535 5.250 ( -6.315 -13.933 -0.484) 15.305 5.483 ( -1.904 -4.045 3.583) 5.729 5.667 ( -1.651 0.466 13.537) 13.645 5.988 ( 5.356 -9.310 -8.418) 13.646 6.304 ( 22.463 4.904 1.051) 23.016 6.717 ( -5.401 -11.561 -8.106) 15.117 6.871 ( 8.862 -14.685 -2.375) 17.315 7.368 ( 5.666 -13.095 3.127) 14.607 7.874 ( 8.850 -8.419 -11.150) 16.539 8.161 ( 1.414 -12.914 -7.998) 15.256 8.464 ( -0.558 3.387 -3.216) 4.704 8.832 ( 9.574 -4.823 -3.621) 11.315 9.736 ( -4.363 22.006 11.457) 25.191 9.933 ( -4.752 15.183 -4.306) 16.482 10.773 ( -1.854 12.878 9.407) 16.055 10.945 ( -2.471 5.544 -3.156) 6.842 11.374 ( -11.903 6.273 3.214) 13.833 11.623 ( -6.465 22.829 -0.580) 23.734 11.842 ( -11.758 3.189 10.349) 15.985 12.197 ( -2.011 3.433 1.630) 4.300 12.340 ( 4.686 14.818 5.310) 16.423 12.719 ( 10.429 19.419 2.218) 22.154 13.334 ( -0.111 19.569 27.624) 33.853 13.481 ( 1.589 20.154 8.670) 21.997 13.933 ( -2.976 23.834 13.681) 27.642 14.285 ( -6.325 -5.936 25.357) 26.799 15.070 ( -6.531 -12.567 -23.321) 27.284 15.350 ( 5.286 1.136 -38.419) 38.798 17.999 ( -3.872 -20.306 17.733) 27.235 18.320 ( 8.610 -25.088 14.731) 30.340 18.829 ( 4.551 -12.964 -23.481) 27.205 19.025 ( 10.113 -15.217 -20.835) 27.712 ======================= Grid point 488 (254/312) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.638 ( -9.123 14.284 18.241) 24.900 3.999 ( -17.053 11.039 10.808) 23.010 4.532 ( 2.677 12.052 -12.672) 17.692 5.070 ( -7.529 -8.349 -5.073) 12.334 5.144 ( -8.247 -7.911 23.335) 25.983 5.453 ( -2.341 -5.690 -1.258) 6.280 5.724 ( 1.188 -5.114 9.717) 11.045 6.138 ( 10.611 -4.354 -3.716) 12.057 6.486 ( -0.970 -0.477 -3.135) 3.316 6.693 ( 5.000 -8.280 -4.988) 10.883 7.048 ( 6.380 -6.080 -9.302) 12.814 7.601 ( 15.521 -18.989 12.586) 27.567 8.021 ( 8.472 -4.514 -11.707) 15.140 8.166 ( 2.826 -6.992 -1.984) 7.798 8.507 ( 7.078 3.479 -4.087) 8.883 8.989 ( 7.312 -4.154 -4.750) 9.658 9.593 ( -9.649 18.940 1.712) 21.325 9.849 ( -2.335 12.370 -0.642) 12.605 10.636 ( -13.520 4.679 1.513) 14.386 10.846 ( -10.661 0.536 -1.567) 10.789 11.156 ( -7.387 9.496 1.575) 12.133 11.517 ( -3.862 18.159 -2.155) 18.690 11.690 ( -8.564 9.088 14.080) 18.819 12.161 ( -3.284 -0.177 3.261) 4.632 12.472 ( 5.987 17.216 10.560) 21.065 12.914 ( 6.615 19.405 7.885) 21.966 13.377 ( -1.318 19.494 9.907) 21.907 13.575 ( 3.090 16.117 11.040) 19.779 13.939 ( -1.633 21.879 18.886) 28.949 14.184 ( -12.257 -4.189 23.476) 26.812 14.850 ( -7.082 -13.150 -21.548) 26.219 15.350 ( 7.726 3.670 -37.371) 38.338 17.988 ( -3.785 -17.176 19.037) 25.918 18.506 ( 6.830 -24.847 4.352) 26.133 18.881 ( 8.370 -12.279 -19.117) 24.213 19.218 ( 15.638 -17.292 -18.800) 29.950 ======================= Grid point 489 (255/312) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.523 ( -8.168 19.661 19.539) 28.897 3.792 ( -8.383 13.506 15.895) 22.480 4.549 ( 0.510 17.108 -8.389) 19.061 4.961 ( -3.312 -2.747 3.511) 5.554 5.094 ( -2.805 -6.688 14.190) 15.935 5.415 ( 0.131 -4.502 -6.543) 7.944 5.760 ( 0.334 -2.685 6.448) 6.992 6.319 ( 8.549 -5.445 -1.686) 10.275 6.456 ( 0.248 -7.826 0.921) 7.884 6.765 ( 3.460 -9.429 -4.608) 11.050 7.037 ( -3.230 0.729 -7.113) 7.846 7.773 ( -2.290 -12.358 -6.802) 14.291 8.121 ( 4.190 0.485 -0.781) 4.290 8.303 ( 8.055 -0.384 -0.358) 8.072 8.753 ( 17.802 -0.603 5.868) 18.754 9.033 ( 0.035 0.345 -6.094) 6.104 9.534 ( 4.336 9.843 8.075) 13.450 9.844 ( 2.740 5.828 -5.687) 8.592 10.293 ( -19.372 -2.569 -1.722) 19.617 10.642 ( -6.880 3.903 -0.480) 7.924 11.037 ( -6.731 8.366 -4.609) 11.685 11.403 ( -8.455 5.396 4.010) 10.802 11.611 ( -4.580 12.091 7.951) 15.179 12.076 ( -6.806 -3.611 3.450) 8.442 12.629 ( 5.407 21.159 13.750) 25.807 13.007 ( -0.339 23.500 11.433) 26.136 13.375 ( -1.530 14.127 5.569) 15.262 13.627 ( 0.417 15.006 0.482) 15.019 13.987 ( -11.221 10.082 21.750) 26.469 14.021 ( -1.733 6.032 24.068) 24.873 14.682 ( -2.747 -10.345 -19.018) 21.824 15.389 ( 9.094 4.560 -36.179) 37.582 17.976 ( -4.461 -14.160 20.351) 25.190 18.621 ( 5.642 -20.109 -5.797) 21.675 19.012 ( 9.890 -14.184 -11.835) 20.954 19.457 ( 14.466 -19.823 -18.726) 30.869 ======================= Grid point 490 (256/312) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( 0.261 22.068 21.991) 31.155 3.751 ( -2.805 13.661 18.312) 23.018 4.483 ( -4.230 20.885 -2.692) 21.478 4.949 ( 0.230 1.255 0.231) 1.297 5.115 ( 0.208 -2.520 8.354) 8.728 5.412 ( 2.218 -1.249 -9.902) 10.224 5.809 ( 3.151 3.348 6.918) 8.307 6.458 ( 6.166 -7.172 -0.983) 9.509 6.521 ( 5.052 -13.342 3.095) 14.598 6.791 ( -0.143 -6.915 0.593) 6.942 6.903 ( -6.649 0.418 -8.535) 10.827 7.624 ( -7.214 -4.215 -8.662) 12.035 8.128 ( -2.013 -2.882 -7.554) 8.332 8.277 ( -9.887 1.668 -2.808) 10.413 9.043 ( 3.740 6.605 16.323) 18.001 9.168 ( 14.082 1.628 6.392) 15.551 9.736 ( 10.843 0.205 7.763) 13.337 9.870 ( -5.010 -1.272 -8.783) 10.191 10.041 ( 4.468 -2.098 -2.294) 5.443 10.615 ( 3.974 3.515 -0.601) 5.339 10.835 ( -11.585 4.005 -6.319) 13.791 11.252 ( -8.728 2.486 2.172) 9.331 11.517 ( -6.239 5.296 4.982) 9.581 11.932 ( -8.119 -5.369 0.600) 9.752 12.754 ( 1.970 26.429 14.576) 30.246 13.007 ( -2.452 24.653 12.183) 27.608 13.354 ( -2.702 12.466 6.249) 14.204 13.622 ( 0.049 12.834 -4.359) 13.554 13.813 ( -11.096 2.662 21.486) 24.328 14.119 ( 0.392 11.836 23.003) 25.872 14.612 ( 1.572 -7.655 -17.309) 18.991 15.450 ( 9.434 5.258 -35.232) 36.850 17.950 ( -5.575 -11.883 21.422) 25.123 18.691 ( 4.340 -16.264 -9.928) 19.543 19.157 ( 7.832 -16.184 -7.574) 19.510 19.620 ( 8.669 -20.404 -19.948) 29.823 ======================= Grid point 491 (257/312) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.964 ( -0.912 10.978 11.457) 15.894 4.017 ( 2.414 11.202 11.666) 16.352 4.799 ( -3.298 15.334 7.181) 17.250 5.005 ( 6.194 -0.909 5.027) 8.029 5.208 ( 1.729 8.706 -5.556) 10.472 5.437 ( 4.939 -1.855 -5.693) 7.762 5.971 ( 8.360 -3.603 16.982) 19.269 6.215 ( 0.165 -16.591 4.538) 17.201 6.495 ( 0.650 -1.668 -9.972) 10.131 6.679 ( 3.662 -6.455 -5.314) 9.128 6.879 ( -3.863 10.231 -4.633) 11.877 7.339 ( -6.239 -9.151 -10.458) 15.233 7.963 ( -10.486 -2.422 -5.438) 12.058 7.996 ( -9.418 -0.481 -8.239) 12.522 9.358 ( -4.427 15.377 16.697) 23.126 9.452 ( 2.093 6.459 10.204) 12.256 9.597 ( -5.546 -4.500 -2.499) 7.567 10.032 ( 2.853 3.000 -1.769) 4.502 10.187 ( 8.524 -10.888 2.045) 13.978 10.334 ( 2.070 -7.119 -9.495) 12.047 11.009 ( -6.612 8.801 6.784) 12.930 11.153 ( -0.140 6.668 2.046) 6.977 11.460 ( 0.746 -3.181 5.750) 6.613 11.673 ( 2.072 -7.815 -3.283) 8.726 13.236 ( 0.238 11.802 16.326) 20.147 13.341 ( -1.816 8.214 16.233) 18.283 13.603 ( 0.013 14.111 2.150) 14.274 13.754 ( -2.504 3.881 9.599) 10.652 13.875 ( -7.158 13.487 14.890) 21.327 14.248 ( -2.034 -4.451 5.512) 7.370 14.683 ( 1.107 17.401 -2.772) 17.655 15.484 ( 6.479 -9.801 -24.476) 27.150 17.799 ( -5.479 1.746 18.345) 19.225 18.353 ( -1.318 -20.612 4.189) 21.074 19.040 ( 6.482 -3.830 -24.985) 26.095 19.307 ( 4.813 -15.616 -26.615) 31.231 ======================= Grid point 492 (258/312) ======================= q-point: ( 0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.978 ( -0.630 9.635 10.355) 14.158 4.145 ( 6.411 6.249 8.583) 12.402 4.774 ( -1.387 16.503 4.800) 17.242 5.086 ( 0.754 7.339 -7.038) 10.196 5.195 ( -0.395 7.207 -0.952) 7.280 5.526 ( 6.289 -1.187 -6.250) 8.945 6.113 ( -4.909 -5.430 5.123) 8.935 6.169 ( -2.888 -13.585 6.241) 15.226 6.419 ( -3.653 -1.531 -4.751) 6.186 6.644 ( 1.245 2.414 -15.583) 15.818 7.009 ( 8.902 -8.829 12.196) 17.492 7.150 ( -6.842 -10.323 -15.019) 19.467 7.758 ( -6.272 2.314 4.611) 8.121 7.904 ( -2.571 -2.062 3.709) 4.962 9.174 ( -13.439 8.465 14.089) 21.231 9.366 ( -16.659 -3.375 -0.500) 17.005 9.459 ( -7.563 6.291 1.192) 9.910 9.963 ( -2.731 -13.788 2.557) 14.287 10.302 ( 2.166 7.791 -4.802) 9.405 10.551 ( 10.524 -1.942 -1.127) 10.761 10.909 ( 6.495 9.718 1.536) 11.789 11.276 ( 7.555 -4.508 4.934) 10.087 11.638 ( 15.093 3.134 2.385) 15.598 11.844 ( 12.160 -1.501 0.261) 12.255 13.253 ( -3.655 12.571 13.114) 18.530 13.367 ( -1.168 6.674 12.731) 14.422 13.622 ( 0.292 18.003 6.528) 19.152 13.754 ( -2.344 3.116 17.923) 18.342 13.772 ( -8.216 13.865 13.751) 21.185 14.244 ( 1.278 -6.424 1.022) 6.629 14.694 ( 1.362 15.680 -3.727) 16.174 15.512 ( 4.871 -10.341 -24.399) 26.944 17.733 ( -7.502 1.438 17.738) 19.313 18.293 ( -6.532 -21.072 5.443) 22.723 19.036 ( 1.976 -3.875 -25.907) 26.270 19.259 ( -0.368 -14.191 -25.783) 29.433 ======================= Grid point 493 (259/312) ======================= q-point: ( 0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.021 ( 1.494 10.494 10.497) 14.917 4.318 ( 9.189 0.858 5.265) 10.625 4.764 ( -0.581 15.780 -3.462) 16.166 4.986 ( -5.586 15.827 -10.631) 19.868 5.200 ( -0.797 1.618 1.970) 2.671 5.632 ( 5.931 -0.863 -3.431) 6.906 5.891 ( -12.730 -3.863 -1.585) 13.397 6.094 ( -7.305 -15.098 2.420) 16.946 6.396 ( -0.089 -4.993 1.081) 5.109 6.620 ( 1.301 -2.694 -14.712) 15.013 6.947 ( -6.634 -8.898 -13.095) 17.166 7.194 ( 1.420 -18.239 7.164) 19.647 7.740 ( -0.474 5.361 12.268) 13.396 7.911 ( 0.624 -1.880 10.574) 10.758 8.937 ( -16.451 0.772 0.097) 16.469 9.012 ( -14.197 -4.034 -1.599) 14.846 9.335 ( -4.260 14.044 8.930) 17.179 9.933 ( -0.636 -11.928 4.266) 12.684 10.348 ( 6.203 12.020 2.844) 13.822 10.699 ( 7.254 -1.278 -1.033) 7.438 11.213 ( 19.243 11.343 0.066) 22.338 11.492 ( 11.781 -4.952 2.934) 13.112 11.937 ( 12.866 4.685 1.188) 13.744 12.046 ( 7.258 1.857 2.479) 7.891 13.183 ( -7.353 13.872 8.804) 18.000 13.360 ( -3.660 6.064 7.498) 10.314 13.627 ( -8.503 15.900 23.090) 29.296 13.667 ( -3.947 18.648 18.910) 26.850 13.812 ( 3.091 2.002 11.276) 11.862 14.320 ( 5.768 -1.722 0.496) 6.040 14.722 ( 4.192 8.565 -8.557) 12.812 15.505 ( 3.156 -9.983 -25.296) 27.377 17.640 ( -7.780 -1.142 17.177) 18.891 18.145 ( -10.640 -20.889 7.578) 24.637 18.950 ( -1.213 -4.187 -27.225) 27.572 19.130 ( -3.749 -13.542 -25.005) 28.683 ======================= Grid point 494 (260/312) ======================= q-point: ( 0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( 1.557 12.195 12.433) 17.485 4.537 ( 11.310 -5.160 -0.480) 12.441 4.710 ( -0.404 14.096 -14.123) 19.958 4.871 ( -2.961 10.793 -3.174) 11.633 5.164 ( -2.374 3.685 1.298) 4.572 5.691 ( -3.828 -16.879 -8.653) 19.350 5.717 ( -1.375 5.903 12.947) 14.295 5.925 ( -11.326 -10.739 5.606) 16.584 6.382 ( -2.652 -4.658 0.678) 5.402 6.584 ( -2.140 -0.062 -13.634) 13.801 6.793 ( -0.820 -12.839 -16.671) 21.058 7.126 ( -8.743 -22.455 0.244) 24.099 7.753 ( -2.400 4.007 10.080) 11.110 7.955 ( -0.358 -5.741 6.773) 8.885 8.646 ( -10.146 2.143 -3.506) 10.946 8.769 ( -10.826 -4.871 -2.797) 12.196 9.431 ( 9.562 19.786 15.303) 26.779 10.012 ( 5.822 -3.163 9.663) 11.716 10.545 ( 11.364 7.181 4.671) 14.231 10.871 ( 10.973 -2.136 -0.596) 11.194 11.551 ( 13.876 13.125 2.349) 19.244 11.682 ( 5.949 2.567 1.654) 6.687 12.098 ( 3.930 2.533 -1.997) 5.085 12.154 ( 3.363 -0.275 4.684) 5.773 13.035 ( -10.659 15.619 8.253) 20.632 13.266 ( -7.826 7.871 3.554) 11.654 13.521 ( -9.372 16.543 30.467) 35.913 13.718 ( 0.777 17.177 21.561) 27.578 13.936 ( 5.315 3.329 10.149) 11.930 14.421 ( 2.834 12.902 3.791) 13.743 14.814 ( 9.218 -7.017 -15.788) 19.582 15.466 ( 2.042 -8.794 -26.734) 28.217 17.564 ( -5.643 -5.540 16.884) 18.644 17.953 ( -11.584 -19.666 10.356) 25.064 18.821 ( -1.904 -5.363 -28.162) 28.731 18.959 ( -4.698 -13.338 -25.161) 28.863 ======================= Grid point 495 (261/312) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.126 ( -3.275 14.173 11.860) 18.769 4.552 ( -3.947 1.533 -13.122) 13.788 4.813 ( 9.961 4.464 -8.891) 14.078 4.928 ( 8.662 -4.457 8.669) 13.040 5.182 ( 5.318 3.844 -1.450) 6.720 5.589 ( -6.688 -10.707 7.229) 14.548 5.652 ( -10.521 -4.277 -1.365) 11.439 5.765 ( -4.888 -6.113 14.341) 16.338 6.193 ( -15.429 3.374 -0.879) 15.818 6.541 ( 4.452 -0.416 -14.114) 14.806 6.783 ( -2.182 -19.327 -10.581) 22.142 6.949 ( -1.443 -17.647 -13.852) 22.481 7.731 ( -2.253 2.935 6.393) 7.386 7.955 ( -0.362 -7.583 1.100) 7.671 8.539 ( -0.313 0.480 -2.472) 2.538 8.595 ( -5.801 -2.982 -2.019) 6.828 9.735 ( 14.265 19.394 15.407) 28.583 10.177 ( 6.497 3.464 9.406) 11.945 10.772 ( 9.241 7.227 6.521) 13.421 11.068 ( 6.802 -3.645 -0.529) 7.735 11.734 ( 4.283 11.997 2.904) 13.065 11.761 ( 3.270 9.728 2.948) 10.678 12.108 ( -2.187 -1.226 0.693) 2.601 12.213 ( 1.617 -2.560 2.805) 4.127 12.838 ( -12.612 17.065 11.655) 24.209 13.102 ( -9.517 9.634 4.764) 14.355 13.499 ( -3.853 19.760 31.850) 37.679 13.823 ( 2.406 17.421 18.329) 25.402 14.063 ( 3.383 1.367 12.016) 12.558 14.452 ( -0.482 21.471 3.676) 21.789 14.924 ( 6.864 -15.907 -19.480) 26.070 15.411 ( 2.056 -7.161 -27.980) 28.955 17.550 ( -1.512 -10.743 16.584) 19.817 17.795 ( -8.217 -17.977 13.288) 23.817 18.701 ( -0.239 -7.068 -28.692) 29.551 18.796 ( -2.547 -12.769 -26.157) 29.218 ======================= Grid point 496 (262/312) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.071 ( -5.476 14.064 10.586) 18.435 4.437 ( -2.921 1.402 -7.793) 8.440 4.992 ( 6.662 -1.805 -0.993) 6.973 5.032 ( -5.290 -9.391 8.365) 13.643 5.146 ( -8.750 3.417 -2.681) 9.769 5.469 ( -8.991 -8.951 3.904) 13.274 5.676 ( 15.062 -5.364 4.502) 16.610 5.782 ( 6.847 -6.789 6.634) 11.704 5.928 ( -8.480 10.406 0.540) 13.434 6.578 ( -3.488 -13.871 -4.169) 14.898 6.626 ( -0.481 -5.972 -12.905) 14.228 7.001 ( 8.656 -15.192 -21.697) 27.866 7.726 ( 0.329 2.102 3.947) 4.484 7.958 ( 0.659 -8.093 -0.629) 8.144 8.523 ( -0.343 0.866 -2.731) 2.886 8.601 ( 6.374 -2.683 -3.938) 7.959 10.027 ( 9.679 17.530 12.879) 23.809 10.274 ( 0.134 8.637 3.512) 9.325 10.921 ( 3.249 6.181 6.607) 9.613 11.074 ( -4.422 -1.691 -1.888) 5.096 11.722 ( -7.446 10.815 8.352) 15.561 11.872 ( 4.702 5.752 0.842) 7.477 12.047 ( -4.139 1.665 6.700) 8.050 12.231 ( -0.473 -3.013 -0.643) 3.117 12.664 ( -8.403 18.328 15.332) 25.330 12.981 ( -4.309 10.321 10.079) 15.056 13.571 ( -0.168 19.905 30.256) 36.217 13.907 ( 0.500 20.933 11.420) 23.851 14.139 ( -0.598 -3.468 16.543) 16.913 14.441 ( -1.686 21.403 3.368) 21.732 14.919 ( -0.289 -15.200 -20.549) 25.561 15.363 ( 3.020 -6.015 -28.715) 29.493 17.605 ( 0.479 -14.327 16.195) 21.628 17.752 ( -0.412 -17.315 14.675) 22.701 18.626 ( 2.818 -8.116 -29.047) 30.291 18.706 ( 3.136 -11.963 -27.077) 29.767 ======================= Grid point 497 (263/312) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.007 ( -4.902 15.281 12.373) 20.264 4.396 ( -1.809 5.111 1.470) 5.618 4.706 ( -15.993 -3.138 -5.110) 17.080 4.969 ( -8.893 -12.838 2.326) 15.790 5.134 ( -0.868 1.151 9.966) 10.070 5.379 ( -1.439 -6.796 -0.902) 7.004 5.747 ( -7.083 7.939 10.925) 15.250 5.889 ( 11.632 -0.245 -1.291) 11.706 6.321 ( 32.165 -7.132 -1.371) 32.974 6.434 ( -6.153 -16.756 0.045) 17.850 6.653 ( 4.166 -0.340 -16.307) 16.834 7.094 ( 7.903 -15.487 -16.475) 23.952 7.782 ( 4.844 0.330 1.413) 5.056 7.978 ( 1.722 -7.451 0.326) 7.654 8.550 ( 4.459 4.919 -6.518) 9.304 8.740 ( 9.122 -4.719 -5.534) 11.666 10.140 ( -4.012 17.449 6.039) 18.895 10.211 ( -4.224 12.204 -0.691) 12.932 10.892 ( -9.323 0.530 0.632) 9.360 10.969 ( -5.342 -2.744 1.948) 6.313 11.544 ( -11.720 11.468 8.391) 18.420 11.852 ( -6.108 -0.503 8.913) 10.817 11.994 ( -6.031 11.524 3.668) 13.514 12.200 ( -2.725 -1.742 2.877) 4.329 12.663 ( 2.565 17.680 15.491) 23.646 13.023 ( 3.759 8.010 14.442) 16.937 13.673 ( 0.116 16.098 26.293) 30.829 13.918 ( -2.347 22.059 7.854) 23.533 14.145 ( -4.707 -4.942 17.051) 18.366 14.407 ( -3.663 14.762 5.483) 16.168 14.803 ( -3.604 -6.753 -18.677) 20.185 15.337 ( 4.521 -5.855 -28.910) 29.842 17.661 ( -0.021 -12.065 16.836) 20.713 17.868 ( 6.326 -19.996 12.391) 24.360 18.621 ( 6.942 -7.302 -28.982) 30.683 18.743 ( 10.042 -12.558 -26.996) 31.422 ======================= Grid point 498 (264/312) ======================= q-point: (-0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.967 ( -4.176 18.805 14.627) 24.188 4.237 ( -14.109 13.091 8.994) 21.245 4.605 ( 4.825 -6.289 -4.243) 8.991 4.822 ( -4.227 -15.147 1.437) 15.791 5.131 ( -3.258 5.370 11.295) 12.924 5.349 ( -1.188 -4.780 -1.529) 5.157 5.673 ( -3.997 2.312 10.650) 11.608 6.080 ( 5.453 -5.232 0.153) 7.559 6.375 ( 1.830 -5.306 -5.385) 7.778 6.659 ( 2.406 0.158 -15.392) 15.580 6.863 ( 20.538 -8.233 -8.736) 23.788 7.241 ( 12.498 -17.316 -4.500) 21.824 7.932 ( 10.659 -1.341 -1.106) 10.800 8.060 ( 7.579 -4.937 1.913) 9.246 8.637 ( 6.918 7.654 -7.395) 12.693 8.897 ( 8.629 -5.374 -7.003) 12.344 9.953 ( -11.054 16.558 -6.206) 20.854 10.130 ( -6.409 13.533 5.131) 15.829 10.620 ( -18.070 -3.310 -2.096) 18.490 10.802 ( -10.752 -5.125 1.260) 11.978 11.390 ( -8.571 13.162 10.250) 18.755 11.726 ( -11.194 0.851 7.480) 13.490 11.864 ( -6.439 10.255 4.936) 13.076 12.123 ( -6.800 -3.234 5.923) 9.580 12.819 ( 6.610 17.566 16.136) 24.751 13.175 ( 5.345 6.000 15.426) 17.394 13.720 ( -3.586 12.002 16.667) 20.850 13.889 ( -3.521 15.888 9.948) 19.073 14.087 ( -5.936 -1.056 13.788) 15.049 14.331 ( -6.046 5.391 8.333) 11.621 14.697 ( -1.117 7.120 -13.535) 15.334 15.344 ( 6.092 -6.335 -28.278) 29.612 17.724 ( 0.400 -7.861 17.536) 19.221 18.043 ( 7.488 -21.199 8.701) 24.107 18.697 ( 10.602 -5.658 -27.991) 30.461 18.897 ( 14.438 -14.591 -26.361) 33.410 ======================= Grid point 499 (265/312) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.932 ( -4.506 21.045 14.514) 25.959 4.055 ( -7.478 12.918 11.705) 18.968 4.696 ( 5.001 -4.488 -0.066) 6.720 4.851 ( 3.107 -10.404 7.272) 13.068 5.100 ( -2.115 10.602 9.142) 14.158 5.338 ( 0.982 -2.763 -2.510) 3.860 5.674 ( 0.657 -2.699 10.107) 10.482 6.115 ( -0.084 -16.343 3.107) 16.636 6.433 ( 5.451 4.757 -12.107) 14.104 6.645 ( 1.227 -3.535 -12.880) 13.412 7.041 ( 4.031 1.131 -8.019) 9.047 7.446 ( 6.168 -17.755 -4.643) 19.361 8.155 ( 8.679 1.763 -4.346) 9.865 8.263 ( 10.773 -2.730 -3.724) 11.721 8.812 ( 14.895 5.084 0.990) 15.770 9.005 ( 5.305 -3.182 -6.037) 8.644 9.773 ( -3.309 12.353 -3.500) 13.259 10.019 ( -5.873 8.218 1.235) 10.176 10.239 ( -18.573 0.966 2.450) 18.759 10.638 ( -6.099 -5.193 0.577) 8.031 11.219 ( -11.656 9.976 4.102) 15.881 11.470 ( -15.306 0.564 4.745) 16.034 11.777 ( -6.768 5.711 6.362) 10.904 11.980 ( -10.199 -5.415 6.478) 13.240 12.996 ( 5.566 15.981 16.539) 23.662 13.298 ( 1.173 5.714 17.084) 18.053 13.660 ( -5.231 11.121 6.867) 14.078 13.843 ( -4.426 6.170 8.040) 11.060 14.021 ( -5.846 6.451 13.301) 15.897 14.270 ( -3.168 1.787 11.198) 11.774 14.663 ( 1.087 15.095 -8.382) 17.300 15.379 ( 7.162 -7.327 -26.954) 28.836 17.786 ( -0.570 -3.557 18.221) 18.573 18.204 ( 6.403 -20.842 5.669) 22.528 18.827 ( 11.900 -4.386 -26.426) 29.312 19.094 ( 14.345 -16.447 -26.323) 34.193 ======================= Grid point 500 (266/312) ======================= q-point: (-0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.920 ( -0.897 18.134 13.274) 22.491 4.000 ( -3.403 11.397 12.900) 17.547 4.813 ( 5.052 7.036 -2.069) 8.906 4.882 ( -1.773 -3.134 17.870) 18.230 5.153 ( 4.493 6.601 -0.304) 7.990 5.371 ( 3.462 -1.922 -3.944) 5.589 5.775 ( 5.644 -3.807 13.632) 15.237 6.152 ( 2.547 -18.662 6.102) 19.799 6.483 ( 4.274 2.729 -13.969) 14.861 6.631 ( 1.651 -6.304 -7.984) 10.306 7.017 ( -3.721 8.327 -7.554) 11.842 7.452 ( -2.283 -11.996 -6.739) 13.947 8.127 ( -6.069 3.053 -9.163) 11.407 8.279 ( -8.156 -2.174 -13.472) 15.898 9.155 ( 13.175 3.647 6.197) 15.009 9.222 ( 19.134 1.915 7.217) 20.540 9.768 ( -5.038 5.275 2.610) 7.747 9.921 ( 0.119 3.040 1.644) 3.459 10.032 ( -0.332 3.621 -0.212) 3.643 10.530 ( -8.147 -10.444 -0.542) 13.257 11.012 ( -6.497 11.272 0.101) 13.011 11.269 ( -6.564 -0.955 5.289) 8.484 11.588 ( -13.411 2.584 3.544) 14.110 11.789 ( -10.422 -8.123 3.366) 13.636 13.141 ( 3.473 13.255 16.753) 21.643 13.334 ( -2.972 7.200 18.194) 19.791 13.608 ( -1.558 11.839 2.275) 12.155 13.786 ( -3.650 3.807 6.933) 8.711 13.952 ( -6.000 11.616 13.731) 18.960 14.263 ( -2.013 -1.278 9.787) 10.073 14.669 ( 1.499 17.362 -4.652) 18.037 15.433 ( 7.340 -8.633 -25.473) 27.880 17.817 ( -2.797 -0.094 18.568) 18.777 18.318 ( 3.340 -20.427 4.163) 21.113 18.960 ( 10.316 -3.863 -25.183) 27.487 19.249 ( 10.450 -16.771 -26.712) 33.226 ======================= Grid point 501 (267/312) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.106 ( -0.851 -2.557 7.361) 7.839 4.106 ( -0.851 2.557 7.361) 7.839 4.972 ( 3.108 -4.087 11.338) 12.446 4.972 ( 3.108 4.087 11.338) 12.446 5.373 ( 4.137 -5.973 -6.973) 10.071 5.373 ( 4.137 5.973 -6.973) 10.071 5.961 ( 4.480 -6.469 11.536) 13.964 5.961 ( 4.480 6.469 11.536) 13.964 6.546 ( 2.478 -5.780 -5.655) 8.458 6.546 ( 2.478 5.780 -5.655) 8.458 7.122 ( -5.993 -12.651 -12.790) 18.961 7.122 ( -5.993 12.651 -12.790) 18.961 7.965 ( -10.100 -1.807 -6.611) 12.205 7.965 ( -10.100 1.807 -6.611) 12.205 9.496 ( 4.741 -4.463 0.689) 6.547 9.496 ( 4.741 4.463 0.689) 6.547 9.795 ( -14.361 -19.977 13.209) 27.925 9.795 ( -14.361 19.977 13.209) 27.925 10.204 ( 11.844 -6.588 -6.092) 14.859 10.204 ( 11.844 6.588 -6.092) 14.859 11.159 ( -6.466 -5.912 8.612) 12.285 11.159 ( -6.466 5.912 8.612) 12.285 11.510 ( 4.795 -7.897 -2.349) 9.533 11.510 ( 4.795 7.897 -2.349) 9.533 13.371 ( -0.861 -3.407 15.910) 16.293 13.371 ( -0.861 3.407 15.910) 16.293 13.777 ( 0.363 -4.262 3.415) 5.474 13.777 ( 0.363 4.262 3.415) 5.474 14.102 ( -6.389 -9.847 14.479) 18.639 14.102 ( -6.389 9.847 14.479) 18.639 15.133 ( 2.809 -24.071 -10.312) 26.337 15.133 ( 2.809 24.071 -10.312) 26.337 17.982 ( -3.228 -15.818 11.194) 19.645 17.982 ( -3.228 15.818 11.194) 19.645 19.077 ( 6.772 -7.295 -29.978) 31.587 19.077 ( 6.772 7.295 -29.978) 31.587 ======================= Grid point 503 (268/312) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.139 ( 1.710 -5.766 7.056) 9.271 4.139 ( 1.710 5.766 7.056) 9.271 5.036 ( 0.891 -9.030 4.423) 10.094 5.036 ( 0.891 9.030 4.423) 10.094 5.424 ( 3.260 -9.487 -8.605) 13.217 5.424 ( 3.260 9.487 -8.605) 13.217 6.004 ( -3.477 -0.755 6.416) 7.336 6.004 ( -3.477 0.755 6.416) 7.336 6.559 ( -2.112 -10.609 -3.956) 11.518 6.559 ( -2.112 10.609 -3.956) 11.518 6.974 ( -2.306 -6.154 -9.820) 11.817 6.974 ( -2.306 6.154 -9.820) 11.817 7.839 ( -2.837 -4.553 5.017) 7.345 7.839 ( -2.837 4.553 5.017) 7.345 9.296 ( -18.386 -4.259 0.165) 18.874 9.296 ( -18.386 4.259 0.165) 18.874 9.674 ( -4.319 -14.515 7.594) 16.942 9.674 ( -4.319 14.515 7.594) 16.942 10.458 ( 10.267 -7.104 -1.959) 12.637 10.458 ( 10.267 7.104 -1.959) 12.637 11.109 ( 4.865 -10.501 5.566) 12.842 11.109 ( 4.865 10.501 5.566) 12.842 11.758 ( 16.104 -6.673 -0.020) 17.432 11.758 ( 16.104 6.673 -0.020) 17.432 13.392 ( -2.237 -3.297 12.629) 13.242 13.392 ( -2.237 3.297 12.629) 13.242 13.807 ( -0.629 -1.670 13.128) 13.249 13.807 ( -0.629 1.670 13.128) 13.249 14.028 ( -4.038 -12.972 7.365) 15.453 14.028 ( -4.038 12.972 7.365) 15.453 15.146 ( 1.927 -24.901 -9.612) 26.761 15.146 ( 1.927 24.901 -9.612) 26.761 17.916 ( -7.261 -16.051 10.707) 20.615 17.916 ( -7.261 16.051 10.707) 20.615 19.058 ( 1.704 -5.991 -29.762) 30.407 19.058 ( 1.704 5.991 -29.762) 30.407 ======================= Grid point 505 (269/312) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.220 ( 4.289 -9.079 6.775) 12.113 4.220 ( 4.289 9.079 6.775) 12.113 5.033 ( -1.900 -9.430 -2.908) 10.050 5.033 ( -1.900 9.430 -2.908) 10.050 5.415 ( -1.082 -16.303 -9.886) 19.096 5.415 ( -1.082 16.303 -9.886) 19.096 5.907 ( -7.641 -3.896 8.837) 12.315 5.907 ( -7.641 3.896 8.837) 12.315 6.468 ( -1.379 -10.557 -13.146) 16.916 6.468 ( -1.379 10.557 -13.146) 16.916 6.928 ( -3.629 -7.245 -1.657) 8.271 6.928 ( -3.629 7.245 -1.657) 8.271 7.847 ( -0.755 -4.769 11.528) 12.498 7.847 ( -0.755 4.769 11.528) 12.498 8.957 ( -15.393 -1.723 -2.763) 15.734 8.957 ( -15.393 1.723 -2.763) 15.734 9.644 ( 0.505 -16.370 9.124) 18.748 9.644 ( 0.505 16.370 9.124) 18.748 10.586 ( 6.025 -10.127 0.781) 11.809 10.586 ( 6.025 10.127 0.781) 11.809 11.378 ( 17.132 -6.552 4.338) 18.848 11.378 ( 17.132 6.552 4.338) 18.848 12.025 ( 9.999 -3.570 0.361) 10.623 12.025 ( 9.999 3.570 0.361) 10.623 13.361 ( -5.020 -5.198 9.580) 12.000 13.361 ( -5.020 5.198 9.580) 12.000 13.803 ( -7.101 -2.573 29.407) 30.361 13.803 ( -7.101 2.573 29.407) 30.361 14.057 ( 7.203 -17.691 -5.958) 20.009 14.057 ( 7.203 17.691 -5.958) 20.009 15.142 ( 1.185 -24.928 -9.984) 26.880 15.142 ( 1.185 24.928 -9.984) 26.880 17.784 ( -9.677 -14.667 10.682) 20.563 17.784 ( -9.677 14.667 10.682) 20.563 18.950 ( -2.028 -4.578 -29.667) 30.086 18.950 ( -2.028 4.578 -29.667) 30.086 ======================= Grid point 507 (270/312) ======================= q-point: ( 0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.344 ( 5.291 -12.545 7.059) 15.336 4.344 ( 5.291 12.545 7.059) 15.336 4.934 ( -4.885 -6.445 -10.087) 12.929 4.934 ( -4.885 6.445 -10.087) 12.929 5.352 ( -1.065 -15.536 -7.806) 17.419 5.352 ( -1.065 15.536 -7.806) 17.419 5.797 ( -8.321 -3.143 14.737) 17.213 5.797 ( -8.321 3.143 14.737) 17.213 6.448 ( 2.712 -10.445 -12.062) 16.185 6.448 ( 2.712 10.445 -12.062) 16.185 6.787 ( -8.342 -10.911 -6.837) 15.342 6.787 ( -8.342 10.911 -6.837) 15.342 7.849 ( -2.759 -5.372 9.630) 11.367 7.849 ( -2.759 5.372 9.630) 11.367 8.694 ( -10.147 -2.963 -3.552) 11.152 8.694 ( -10.147 2.963 -3.552) 11.152 9.794 ( 10.143 -16.509 13.046) 23.358 9.794 ( 10.143 16.509 13.046) 23.358 10.746 ( 9.968 -10.097 1.582) 14.277 10.746 ( 9.968 10.097 1.582) 14.277 11.695 ( 12.482 -2.209 4.990) 13.623 11.695 ( 12.482 2.209 4.990) 13.623 12.132 ( 1.464 -1.693 0.453) 2.284 12.132 ( 1.464 1.693 0.453) 2.284 13.255 ( -9.364 -7.198 10.351) 15.705 13.255 ( -9.364 7.198 10.351) 15.705 13.786 ( -4.390 -7.391 31.105) 32.271 13.786 ( -4.390 7.391 31.105) 32.271 14.214 ( 9.994 -19.929 -8.117) 23.726 14.214 ( 9.994 19.929 -8.117) 23.726 15.126 ( 0.936 -24.021 -11.375) 26.595 15.126 ( 0.936 24.021 -11.375) 26.595 17.633 ( -9.234 -11.710 11.449) 18.801 17.633 ( -9.234 11.710 11.449) 18.801 18.795 ( -3.125 -3.271 -29.863) 30.203 18.795 ( -3.125 3.271 -29.863) 30.203 ======================= Grid point 509 (271/312) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.406 ( -2.427 -13.447 4.122) 14.272 4.406 ( -2.427 13.447 4.122) 14.272 4.886 ( 4.688 -3.344 -5.736) 8.128 4.886 ( 4.688 3.344 -5.736) 8.128 5.331 ( 0.917 -11.667 -6.918) 13.595 5.331 ( 0.917 11.667 -6.918) 13.595 5.664 ( -10.100 -3.872 15.620) 19.000 5.664 ( -10.100 3.872 15.620) 19.000 6.392 ( -7.987 -15.718 -1.435) 17.689 6.392 ( -7.988 15.718 -1.435) 17.689 6.674 ( 4.050 -10.013 -20.662) 23.315 6.674 ( 4.050 10.013 -20.662) 23.315 7.824 ( -2.194 -6.005 6.405) 9.050 7.824 ( -2.194 6.005 6.405) 9.050 8.555 ( -2.883 -1.296 -2.936) 4.314 8.555 ( -2.883 1.296 -2.936) 4.314 10.062 ( 11.584 -13.159 12.816) 21.716 10.062 ( 11.584 13.159 12.816) 21.716 10.943 ( 7.953 -8.859 2.066) 12.083 10.943 ( 7.953 8.859 2.066) 12.083 11.869 ( 4.040 -1.514 3.347) 5.460 11.869 ( 4.040 1.514 3.347) 5.461 12.128 ( -1.434 -4.473 3.608) 5.923 12.128 ( -1.434 4.473 3.608) 5.923 13.088 ( -11.415 -8.470 15.041) 20.695 13.088 ( -11.415 8.470 15.041) 20.695 13.844 ( -0.555 -11.257 28.365) 30.523 13.844 ( -0.555 11.257 28.365) 30.523 14.345 ( 5.651 -20.994 -8.645) 23.397 14.345 ( 5.651 20.994 -8.645) 23.397 15.104 ( 1.225 -22.487 -13.353) 26.182 15.104 ( 1.225 22.487 -13.353) 26.182 17.526 ( -5.528 -7.917 12.664) 15.925 17.526 ( -5.528 7.917 12.664) 15.925 18.647 ( -1.122 -2.220 -30.285) 30.387 18.647 ( -1.122 2.220 -30.285) 30.387 ======================= Grid point 511 (272/312) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.332 ( -4.104 -11.247 2.304) 12.192 4.332 ( -4.104 11.247 2.304) 12.192 4.955 ( -2.847 -1.010 2.902) 4.189 4.955 ( -2.847 1.010 2.902) 4.189 5.275 ( -4.827 -9.324 -2.495) 10.792 5.275 ( -4.827 9.324 -2.495) 10.792 5.663 ( 10.040 -3.804 5.845) 12.225 5.663 ( 10.040 3.804 5.845) 12.225 6.214 ( -8.444 -17.684 1.715) 19.671 6.214 ( -8.444 17.684 1.715) 19.671 6.734 ( 7.881 -11.048 -22.551) 26.319 6.734 ( 7.881 11.048 -22.551) 26.319 7.817 ( -0.355 -6.355 4.905) 8.035 7.817 ( -0.355 6.355 4.905) 8.035 8.554 ( 3.556 -2.105 -4.294) 5.959 8.554 ( 3.556 2.105 -4.294) 5.959 10.284 ( 6.440 -7.590 8.991) 13.413 10.284 ( 6.440 7.590 8.991) 13.413 11.011 ( -1.764 -4.206 0.597) 4.599 11.011 ( -1.764 4.206 0.597) 4.599 11.879 ( -4.994 -4.469 6.238) 9.156 11.879 ( -4.994 4.469 6.238) 9.156 12.135 ( 1.317 -6.103 3.193) 7.013 12.135 ( 1.317 6.103 3.193) 7.013 12.955 ( -7.462 -10.404 20.884) 24.496 12.955 ( -7.462 10.404 20.884) 24.496 13.931 ( -0.231 -13.429 24.031) 27.529 13.931 ( -0.231 13.429 24.031) 27.529 14.363 ( -0.929 -19.425 -6.405) 20.475 14.363 ( -0.929 19.425 -6.405) 20.475 15.084 ( 1.673 -21.069 -15.102) 25.977 15.084 ( 1.673 21.069 -15.102) 25.977 17.515 ( -0.200 -5.155 13.352) 14.314 17.515 ( -0.200 5.155 13.352) 14.314 18.563 ( 3.448 -2.123 -30.642) 30.908 18.563 ( 3.448 2.123 -30.642) 30.908 ======================= Grid point 513 (273/312) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.303 ( -0.051 -13.457 5.655) 14.597 4.303 ( -0.051 13.457 5.655) 14.597 4.750 ( -15.450 -8.845 3.867) 18.218 4.750 ( -15.450 8.845 3.867) 18.218 5.234 ( 0.432 -7.343 -1.212) 7.455 5.234 ( 0.432 7.343 -1.212) 7.455 5.909 ( 2.209 -3.505 8.180) 9.169 5.909 ( 2.209 3.505 8.180) 9.169 6.187 ( 12.407 -2.372 -3.194) 13.029 6.187 ( 12.407 2.372 -3.194) 13.029 6.809 ( 7.855 -12.730 -20.551) 25.419 6.809 ( 7.855 12.730 -20.551) 25.419 7.850 ( 2.518 -5.564 4.179) 7.400 7.850 ( 2.518 5.564 4.179) 7.400 8.646 ( 7.486 -4.932 -6.798) 11.251 8.646 ( 7.486 4.932 -6.798) 11.251 10.339 ( -2.988 -1.392 2.076) 3.895 10.339 ( -2.988 1.392 2.076) 3.895 10.898 ( -9.818 -2.350 0.720) 10.121 10.898 ( -9.818 2.350 0.720) 10.121 11.757 ( -8.584 -8.816 9.742) 15.694 11.757 ( -8.584 8.816 9.742) 15.694 12.143 ( -3.457 -4.535 3.832) 6.870 12.143 ( -3.457 4.535 3.832) 6.870 12.971 ( 1.284 -11.712 22.629) 25.513 12.971 ( 1.284 11.712 22.629) 25.513 13.974 ( -2.893 -13.281 16.144) 21.104 13.974 ( -2.893 13.281 16.144) 21.104 14.289 ( -4.842 -16.006 1.167) 16.763 14.289 ( -4.842 16.006 1.167) 16.763 15.070 ( 2.309 -20.478 -15.663) 25.885 15.070 ( 2.309 20.478 -15.663) 25.885 17.599 ( 3.847 -6.164 13.076) 14.959 17.599 ( 3.847 6.164 13.076) 14.959 18.579 ( 8.935 -3.424 -30.631) 32.090 18.579 ( 8.935 3.424 -30.631) 32.090 ======================= Grid point 515 (274/312) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.331 ( -2.886 -16.538 7.442) 18.363 4.331 ( -2.886 16.538 7.442) 18.363 4.526 ( -5.148 -13.662 7.974) 16.636 4.526 ( -5.148 13.662 7.974) 16.636 5.251 ( 1.543 -5.658 -1.238) 5.994 5.251 ( 1.543 5.658 -1.238) 5.994 5.849 ( -6.270 -14.111 7.987) 17.385 5.849 ( -6.270 14.111 7.987) 17.385 6.475 ( 12.068 -12.287 -11.410) 20.659 6.475 ( 12.068 12.287 -11.410) 20.659 6.950 ( 13.218 -12.061 -12.168) 21.639 6.950 ( 13.218 12.061 -12.168) 21.639 7.968 ( 9.131 -4.014 3.328) 10.515 7.968 ( 9.131 4.014 3.328) 10.515 8.779 ( 8.364 -6.714 -8.170) 13.483 8.779 ( 8.364 6.714 -8.170) 13.483 10.202 ( -9.983 -7.391 -4.195) 13.110 10.202 ( -9.983 7.391 -4.195) 13.110 10.659 ( -13.729 -7.854 2.801) 16.063 10.659 ( -13.729 7.854 2.801) 16.063 11.623 ( -10.326 -9.779 11.084) 18.031 11.623 ( -10.326 9.779 11.084) 18.031 12.032 ( -8.299 -6.464 5.209) 11.738 12.032 ( -8.299 6.464 5.209) 11.738 13.113 ( 4.421 -11.107 20.746) 23.944 13.113 ( 4.421 11.107 20.746) 23.944 13.920 ( -5.946 -9.723 5.155) 12.508 13.920 ( -5.946 9.723 5.155) 12.508 14.220 ( -4.370 -10.723 12.308) 16.899 14.220 ( -4.370 10.723 12.308) 16.899 15.069 ( 3.027 -20.778 -14.988) 25.797 15.069 ( 3.027 20.778 -14.988) 25.797 17.735 ( 5.263 -9.054 12.459) 16.275 17.735 ( 5.263 9.054 12.459) 16.275 18.692 ( 12.951 -5.492 -30.356) 33.457 18.692 ( 12.951 5.492 -30.356) 33.457 ======================= Grid point 517 (275/312) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.215 ( -7.560 -1.908 6.051) 9.869 4.215 ( -7.560 1.908 6.051) 9.869 4.631 ( 7.262 -5.669 15.845) 18.329 4.631 ( 7.262 5.669 15.845) 18.329 5.283 ( 2.221 -4.899 -2.071) 5.764 5.283 ( 2.221 4.899 -2.071) 5.764 5.783 ( -2.583 -14.442 7.828) 16.629 5.783 ( -2.583 14.442 7.828) 16.629 6.556 ( 3.402 -6.300 -16.749) 18.215 6.556 ( 3.402 6.300 -16.749) 18.215 7.152 ( 8.385 -11.052 -6.157) 15.177 7.152 ( 8.385 11.052 -6.157) 15.177 8.203 ( 11.291 -3.149 -2.761) 12.043 8.203 ( 11.291 3.149 -2.761) 12.043 8.919 ( 9.819 -5.367 -4.708) 12.140 8.919 ( 9.819 5.367 -4.708) 12.140 9.977 ( -9.173 -8.324 -5.086) 13.390 9.977 ( -9.173 8.324 -5.086) 13.390 10.445 ( -9.894 -13.689 5.832) 17.869 10.445 ( -9.894 13.689 5.832) 17.869 11.398 ( -14.805 -7.468 6.634) 17.860 11.398 ( -14.805 7.468 6.634) 17.860 11.877 ( -10.322 -5.144 6.051) 13.023 11.877 ( -10.322 5.144 6.051) 13.023 13.247 ( 1.973 -9.264 19.319) 21.516 13.247 ( 1.973 9.264 19.319) 21.516 13.821 ( -4.286 -7.144 0.876) 8.377 13.821 ( -4.286 7.144 0.876) 8.377 14.192 ( -3.997 -8.171 16.291) 18.659 14.192 ( -3.997 8.171 16.291) 18.659 15.084 ( 3.479 -21.666 -13.542) 25.785 15.084 ( 3.479 21.666 -13.542) 25.785 17.871 ( 4.146 -11.911 12.034) 17.432 17.871 ( 4.146 11.911 12.034) 17.432 18.854 ( 13.810 -7.271 -30.173) 33.971 18.854 ( 13.810 7.271 -30.173) 33.971 ======================= Grid point 519 (276/312) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.126 ( -3.923 -1.449 7.099) 8.239 4.126 ( -3.923 1.449 7.099) 8.239 4.831 ( 6.566 -3.769 16.484) 18.139 4.831 ( 6.566 3.769 16.484) 18.139 5.322 ( 3.020 -5.586 -4.319) 7.680 5.322 ( 3.020 5.586 -4.319) 7.680 5.824 ( 3.678 -11.599 10.736) 16.227 5.824 ( 3.678 11.599 10.736) 16.227 6.545 ( 1.620 -3.337 -14.442) 14.910 6.545 ( 1.620 3.337 -14.442) 14.910 7.213 ( 0.365 -11.648 -6.777) 13.481 7.213 ( 0.365 11.648 -6.777) 13.481 8.209 ( -7.932 -4.501 -12.222) 15.250 8.209 ( -7.932 4.501 -12.222) 15.250 9.209 ( 19.035 -2.235 2.849) 19.376 9.209 ( 19.035 2.235 2.849) 19.376 9.884 ( -0.029 -4.936 0.297) 4.945 9.884 ( -0.029 4.936 0.297) 4.945 10.261 ( -11.996 -15.750 5.251) 20.483 10.261 ( -11.996 15.750 5.251) 20.483 11.198 ( -5.102 -6.828 3.239) 9.119 11.198 ( -5.102 6.828 3.239) 9.119 11.654 ( -13.754 -5.046 3.826) 15.142 11.654 ( -13.754 5.046 3.826) 15.142 13.324 ( -0.176 -5.993 17.918) 18.894 13.324 ( -0.176 5.993 17.918) 18.894 13.774 ( -1.005 -5.731 0.885) 5.885 13.774 ( -1.005 5.731 0.885) 5.885 14.161 ( -5.047 -8.738 16.169) 19.059 14.161 ( -5.047 8.738 16.169) 19.059 15.109 ( 3.420 -22.856 -11.790) 25.944 15.109 ( 3.420 22.856 -11.790) 25.944 17.964 ( 1.006 -14.297 11.684) 18.491 17.964 ( 1.006 14.297 11.684) 18.491 19.001 ( 11.386 -7.900 -30.111) 33.147 19.001 ( 11.386 7.900 -30.111) 33.147 ======================= Grid point 561 (277/312) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( -3.284 0.000 -17.706) 18.008 3.542 ( 3.284 0.000 17.706) 18.008 3.682 ( -16.338 0.000 -37.897) 41.269 3.682 ( 16.338 0.000 37.897) 41.269 4.870 ( -6.296 0.000 -2.936) 6.947 4.870 ( 6.296 0.000 2.936) 6.947 6.252 ( -0.437 0.000 -28.058) 28.061 6.252 ( 0.437 0.000 28.058) 28.061 6.981 ( 3.680 0.000 -8.953) 9.680 6.981 ( -3.680 0.000 8.953) 9.680 7.505 ( 3.230 0.000 -4.286) 5.367 7.505 ( -3.230 0.000 4.286) 5.367 8.361 ( -11.831 0.000 -11.643) 16.600 8.361 ( 11.831 0.000 11.643) 16.600 9.345 ( 9.097 0.000 -20.210) 22.163 9.345 ( -9.097 0.000 20.210) 22.163 10.114 ( -9.896 0.000 -2.455) 10.196 10.114 ( 9.896 0.000 2.455) 10.196 10.588 ( -6.761 0.000 -4.625) 8.192 10.588 ( 6.761 0.000 4.625) 8.192 10.676 ( -3.493 0.000 -18.780) 19.102 10.676 ( 3.493 0.000 18.780) 19.102 11.002 ( -2.701 0.000 -12.100) 12.397 11.002 ( 2.701 0.000 12.100) 12.397 11.629 ( -4.471 0.000 -17.716) 18.272 11.629 ( 4.471 0.000 17.716) 18.272 13.257 ( 2.370 0.000 -7.600) 7.961 13.257 ( -2.370 0.000 7.600) 7.961 14.128 ( 5.669 0.000 -43.833) 44.198 14.128 ( -5.669 0.000 43.833) 44.198 14.582 ( 7.796 0.000 -26.600) 27.719 14.582 ( -7.796 0.000 26.600) 27.719 18.785 ( 5.107 0.000 -18.102) 18.808 18.785 ( -5.107 0.000 18.102) 18.808 20.259 ( -7.584 0.000 -5.817) 9.558 20.259 ( 7.584 0.000 5.817) 9.558 ======================= Grid point 563 (278/312) ======================= q-point: ( 0.10 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -3.002 0.000 -30.768) 30.914 3.472 ( 2.130 0.000 -14.743) 14.897 3.751 ( 11.050 0.000 11.052) 15.628 4.192 ( 20.964 0.000 35.146) 40.924 4.761 ( -4.219 0.000 1.264) 4.404 5.025 ( 9.297 0.000 1.150) 9.368 6.189 ( 3.842 0.000 -29.473) 29.722 6.388 ( 3.943 0.000 23.051) 23.386 6.971 ( -0.140 0.000 8.830) 8.832 7.038 ( 4.987 0.000 -9.248) 10.506 7.390 ( -10.057 0.000 5.851) 11.636 7.480 ( -4.746 0.000 -2.925) 5.575 8.130 ( -6.963 0.000 -9.323) 11.636 8.612 ( 8.312 0.000 13.612) 15.949 9.249 ( -7.956 0.000 16.755) 18.548 9.468 ( 10.894 0.000 -26.829) 28.957 9.848 ( -14.117 0.000 -6.432) 15.513 10.219 ( 2.983 0.000 -18.709) 18.945 10.405 ( -12.317 0.000 10.494) 16.181 10.544 ( -1.054 0.000 -16.686) 16.720 10.626 ( -6.375 0.000 12.325) 13.876 10.793 ( 2.828 0.000 13.487) 13.780 10.975 ( 2.739 0.000 -5.577) 6.214 11.115 ( 3.569 0.000 10.420) 11.014 11.541 ( 0.316 0.000 -10.409) 10.414 11.814 ( 8.329 0.000 15.169) 17.306 13.201 ( -6.063 0.000 9.578) 11.335 13.235 ( -2.464 0.000 -4.979) 5.555 14.089 ( 6.296 0.000 -46.846) 47.267 14.160 ( -6.246 0.000 42.492) 42.949 14.581 ( -1.553 0.000 25.482) 25.529 14.700 ( 14.038 0.000 -29.981) 33.105 18.766 ( -3.242 0.000 19.334) 19.604 18.836 ( 6.213 0.000 -17.079) 18.174 20.029 ( -14.016 0.000 -2.371) 14.215 20.342 ( -1.419 0.000 5.753) 5.925 ======================= Grid point 564 (279/312) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( 16.685 0.000 -20.239) 26.229 3.508 ( 5.224 0.000 -9.334) 10.696 3.990 ( 9.522 0.000 -2.378) 9.815 4.674 ( 16.442 0.000 30.568) 34.709 4.759 ( 2.854 0.000 16.467) 16.713 5.245 ( 13.836 0.000 -3.728) 14.329 6.194 ( 6.447 0.000 -28.159) 28.888 6.520 ( 2.094 0.000 14.696) 14.844 6.979 ( -6.725 0.000 0.096) 6.725 7.101 ( 4.906 0.000 -10.479) 11.570 7.239 ( -3.013 0.000 14.806) 15.110 7.298 ( -12.623 0.000 -3.649) 13.140 8.069 ( 3.549 0.000 -5.398) 6.460 8.758 ( 2.242 0.000 16.544) 16.696 9.121 ( -10.567 0.000 11.714) 15.776 9.414 ( -7.095 0.000 -38.205) 38.858 9.729 ( 4.597 0.000 4.885) 6.708 10.088 ( -8.765 0.000 -13.725) 16.285 10.170 ( -11.073 0.000 -12.428) 16.645 10.471 ( -12.835 0.000 12.305) 17.781 10.646 ( 12.678 0.000 -0.035) 12.678 10.853 ( -1.470 0.000 12.383) 12.470 11.026 ( 3.381 0.000 -3.234) 4.679 11.196 ( 2.233 0.000 10.100) 10.344 11.537 ( 0.422 0.000 -3.985) 4.007 12.036 ( 10.096 0.000 8.181) 12.994 13.099 ( -7.644 0.000 10.545) 13.024 13.129 ( -6.946 0.000 -2.738) 7.466 14.060 ( 7.595 0.000 -48.937) 49.523 14.170 ( -7.770 0.000 43.262) 43.954 14.685 ( 2.963 0.000 26.409) 26.575 14.905 ( 17.641 0.000 -34.010) 38.313 18.795 ( -0.665 0.000 20.625) 20.635 18.904 ( 6.516 0.000 -16.193) 17.455 19.730 ( -16.181 0.000 2.795) 16.420 20.242 ( -9.894 0.000 1.651) 10.030 ======================= Grid point 565 (280/312) ======================= q-point: ( 0.30 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.594 ( 5.470 0.000 -2.568) 6.043 3.814 ( 29.937 0.000 -8.271) 31.058 4.046 ( 0.218 0.000 -13.780) 13.782 5.019 ( 14.286 0.000 30.247) 33.451 5.031 ( 11.162 0.000 23.157) 25.707 5.517 ( 15.244 0.000 -7.984) 17.208 6.228 ( 5.490 0.000 -23.997) 24.617 6.534 ( -6.588 0.000 2.009) 6.888 6.702 ( -14.978 0.000 3.807) 15.454 6.998 ( -15.246 0.000 -7.178) 16.851 7.155 ( 4.724 0.000 -12.584) 13.441 7.355 ( 3.726 0.000 14.199) 14.680 8.217 ( 12.105 0.000 -1.809) 12.240 8.846 ( -0.575 0.000 11.747) 11.761 8.960 ( -5.843 0.000 15.961) 16.997 9.140 ( -7.241 0.000 -29.121) 30.008 9.825 ( -16.703 0.000 7.523) 18.319 9.848 ( 3.453 0.000 3.743) 5.093 9.948 ( -2.784 0.000 -34.581) 34.692 10.239 ( -15.088 0.000 14.014) 20.593 10.827 ( -3.301 0.000 4.531) 5.606 10.876 ( 6.158 0.000 5.112) 8.003 11.081 ( 3.833 0.000 -4.681) 6.050 11.357 ( 13.055 0.000 10.025) 16.460 11.494 ( -3.634 0.000 -2.964) 4.689 12.244 ( 8.912 0.000 2.530) 9.264 12.956 ( -9.792 0.000 -1.568) 9.916 12.987 ( -7.332 0.000 9.800) 12.239 14.052 ( 8.718 0.000 -49.521) 50.282 14.153 ( -9.245 0.000 44.702) 45.648 14.860 ( 4.969 0.000 28.971) 29.394 15.118 ( 15.773 0.000 -36.735) 39.978 18.885 ( 2.744 0.000 21.305) 21.481 18.975 ( 6.166 0.000 -15.322) 16.516 19.449 ( -14.169 0.000 8.026) 16.284 19.989 ( -14.990 0.000 -5.121) 15.841 ======================= Grid point 566 (281/312) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( 4.979 0.000 3.978) 6.373 3.941 ( -3.858 0.000 -13.990) 14.512 4.447 ( 33.515 0.000 1.272) 33.539 5.240 ( 2.010 0.000 11.463) 11.638 5.423 ( 14.586 0.000 30.116) 33.463 5.728 ( 8.143 0.000 -11.624) 14.192 6.210 ( -1.152 0.000 -15.369) 15.412 6.225 ( -15.536 0.000 -5.187) 16.379 6.593 ( -4.198 0.000 11.627) 12.362 6.711 ( -9.197 0.000 -13.463) 16.304 7.207 ( 5.728 0.000 -14.779) 15.850 7.381 ( -5.466 0.000 13.128) 14.220 8.472 ( 12.801 0.000 -2.321) 13.009 8.730 ( -8.151 0.000 6.932) 10.701 8.987 ( 1.769 0.000 -20.894) 20.969 9.136 ( 9.519 0.000 18.331) 20.655 9.531 ( -13.570 0.000 4.954) 14.446 9.828 ( -8.044 0.000 6.183) 10.146 9.836 ( 2.763 0.000 -30.340) 30.466 10.006 ( -13.584 0.000 16.482) 21.358 10.799 ( 1.734 0.000 -7.010) 7.221 10.908 ( -3.782 0.000 10.625) 11.278 11.149 ( 4.909 0.000 -4.337) 6.550 11.374 ( -6.625 0.000 -1.170) 6.728 11.748 ( 21.034 0.000 6.108) 21.903 12.348 ( -0.995 0.000 -1.236) 1.587 12.781 ( -5.388 0.000 -1.565) 5.610 12.882 ( -6.545 0.000 7.101) 9.657 14.061 ( 9.482 0.000 -49.087) 49.994 14.120 ( -9.990 0.000 46.352) 47.416 15.055 ( 3.883 0.000 32.393) 32.624 15.236 ( 8.858 0.000 -37.394) 38.429 19.039 ( 5.758 0.000 -14.277) 15.394 19.047 ( 6.466 0.000 19.295) 20.350 19.253 ( -9.183 0.000 13.115) 16.010 19.656 ( -15.500 0.000 -12.459) 19.886 ======================= Grid point 567 (282/312) ======================= q-point: ( 0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.815 ( -4.722 0.000 -9.592) 10.691 3.815 ( 4.722 0.000 9.592) 10.691 5.043 ( -24.016 0.000 -2.142) 24.111 5.043 ( 24.016 0.000 2.142) 24.111 5.708 ( -4.540 0.000 -20.006) 20.514 5.708 ( 4.540 0.000 20.006) 20.514 6.109 ( -2.768 0.000 -4.132) 4.974 6.109 ( 2.768 0.000 4.132) 4.974 6.583 ( 0.517 0.000 -15.060) 15.069 6.583 ( -0.517 0.000 15.060) 15.069 7.287 ( 7.804 0.000 -15.199) 17.085 7.287 ( -7.804 0.000 15.199) 17.085 8.627 ( 6.026 0.000 -8.091) 10.088 8.627 ( -6.026 0.000 8.091) 10.088 9.108 ( 13.827 0.000 -11.184) 17.784 9.108 ( -13.827 0.000 11.184) 17.784 9.593 ( -14.372 0.000 -3.121) 14.707 9.593 ( 14.372 0.000 3.121) 14.707 9.855 ( 8.861 0.000 -24.818) 26.352 9.855 ( -8.861 0.000 24.818) 26.352 10.846 ( 5.695 0.000 -11.830) 13.130 10.846 ( -5.695 0.000 11.830) 13.130 11.246 ( -6.325 0.000 1.975) 6.626 11.246 ( 6.325 0.000 -1.975) 6.626 12.146 ( -16.923 0.000 -3.542) 17.289 12.146 ( 16.923 0.000 3.542) 17.289 12.785 ( 4.846 0.000 -3.772) 6.141 12.785 ( -4.846 0.000 3.772) 6.141 14.085 ( 9.970 0.000 -47.943) 48.969 14.085 ( -9.970 0.000 47.943) 48.969 15.205 ( 1.013 0.000 -35.655) 35.670 15.205 ( -1.013 0.000 35.655) 35.670 19.106 ( 5.727 0.000 -12.553) 13.798 19.106 ( -5.727 0.000 12.553) 13.798 19.334 ( -11.246 0.000 -18.768) 21.879 19.334 ( 11.246 0.000 18.768) 21.879 ======================= Grid point 573 (283/312) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( -6.031 5.289 -18.118) 19.814 3.589 ( 6.031 5.289 18.118) 19.814 3.838 ( -14.011 14.283 -31.829) 37.595 3.838 ( 14.011 14.283 31.829) 37.595 4.962 ( -5.866 8.885 -1.930) 10.820 4.962 ( 5.866 8.885 1.930) 10.820 6.216 ( -1.832 -3.156 -25.364) 25.625 6.216 ( 1.832 -3.156 25.364) 25.625 7.002 ( 1.224 1.076 -10.551) 10.676 7.002 ( -1.224 1.076 10.551) 10.676 7.420 ( -2.265 -7.757 -5.847) 9.974 7.420 ( 2.265 -7.757 5.847) 9.974 8.302 ( -9.900 -6.172 -11.303) 16.244 8.302 ( 9.900 -6.172 11.303) 16.244 9.347 ( 9.694 0.845 -19.142) 21.473 9.347 ( -9.694 0.845 19.142) 21.473 9.978 ( -3.933 -11.393 -15.929) 19.975 9.978 ( 3.933 -11.393 15.929) 19.975 10.498 ( -2.467 -2.931 -19.530) 19.902 10.498 ( 2.467 -2.931 19.530) 19.902 10.697 ( -5.917 1.917 -17.777) 18.834 10.697 ( 5.917 1.917 17.777) 18.834 11.386 ( -6.805 26.549 -8.889) 28.812 11.386 ( 6.805 26.549 8.889) 28.812 11.724 ( -2.287 12.393 -16.335) 20.631 11.724 ( 2.287 12.393 16.335) 20.631 13.277 ( 2.151 2.133 -7.061) 7.684 13.277 ( -2.151 2.133 7.061) 7.684 14.173 ( 6.039 4.021 -41.335) 41.966 14.173 ( -6.039 4.021 41.335) 41.966 14.572 ( 7.340 -0.436 -26.689) 27.684 14.572 ( -7.340 -0.436 26.689) 27.684 18.725 ( 5.211 -5.986 -18.930) 20.526 18.725 ( -5.211 -5.986 18.930) 20.526 20.131 ( -5.671 -12.759 -6.777) 15.520 20.131 ( 5.671 -12.759 6.777) 15.520 ======================= Grid point 575 (284/312) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( -1.691 7.092 -26.603) 27.584 3.602 ( -1.006 11.858 -17.499) 21.162 3.808 ( 10.250 6.050 12.727) 17.426 4.281 ( 17.217 8.340 30.453) 35.964 4.871 ( -2.774 10.569 3.156) 11.374 5.106 ( 8.644 7.351 0.441) 11.355 6.136 ( 2.702 -4.899 -26.684) 27.265 6.369 ( 5.119 -1.236 20.068) 20.747 6.971 ( 0.803 -0.306 -1.370) 1.617 7.077 ( 3.685 2.084 -0.463) 4.259 7.256 ( -10.408 -11.478 -0.029) 15.495 7.455 ( -2.422 -2.671 2.301) 4.277 8.119 ( -4.730 -1.709 -6.771) 8.435 8.531 ( 8.310 -8.192 13.439) 17.798 9.216 ( -10.043 -2.220 13.252) 16.775 9.445 ( 5.988 -2.117 -27.734) 28.452 9.723 ( -11.936 -9.109 3.488) 15.414 10.174 ( 6.784 -6.955 -0.980) 9.765 10.301 ( -9.896 -9.172 -16.530) 21.337 10.474 ( -6.540 -3.225 -3.982) 8.308 10.531 ( -5.338 1.611 14.925) 15.933 10.933 ( 9.979 9.640 6.406) 15.282 11.235 ( -5.078 19.936 -9.860) 22.814 11.544 ( 3.710 33.694 11.155) 35.686 11.679 ( 4.057 12.770 -8.126) 15.670 11.885 ( 7.047 9.385 12.220) 16.944 13.227 ( -5.498 2.662 8.695) 10.626 13.256 ( -2.362 2.212 -4.616) 5.637 14.146 ( 4.748 5.318 -34.285) 35.019 14.204 ( -3.975 4.212 30.948) 31.486 14.560 ( -2.199 -1.576 23.335) 23.492 14.678 ( 12.689 -1.962 -27.834) 30.653 18.704 ( -3.652 -6.267 19.981) 21.256 18.773 ( 6.000 -6.343 -17.761) 19.791 19.915 ( -13.349 -11.407 -1.955) 17.667 20.205 ( -1.526 -13.638 4.949) 14.588 ======================= Grid point 576 (285/312) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( 14.453 6.180 -21.857) 26.922 3.600 ( 4.444 8.801 -8.151) 12.793 4.033 ( 8.403 4.298 0.635) 9.460 4.619 ( 8.612 -0.509 22.962) 24.529 4.950 ( 7.756 13.250 20.097) 25.291 5.309 ( 13.011 5.406 -3.890) 14.616 6.131 ( 5.606 -5.935 -25.638) 26.906 6.501 ( 1.861 -1.550 11.315) 11.571 6.945 ( -11.316 -5.358 -1.531) 12.614 7.069 ( 3.732 -2.517 -8.223) 9.374 7.135 ( -4.337 -6.979 1.542) 8.360 7.396 ( -1.723 7.111 7.294) 10.332 8.094 ( 3.637 1.836 -1.917) 4.503 8.698 ( 4.379 -6.900 15.371) 17.408 9.027 ( -12.609 -7.804 6.511) 16.195 9.275 ( -10.425 -10.947 -26.602) 30.597 9.621 ( -6.049 -9.440 8.362) 13.987 10.020 ( -9.939 -9.959 -20.016) 24.467 10.188 ( -1.242 3.308 -4.701) 5.881 10.438 ( -8.037 5.111 14.785) 17.587 10.584 ( 14.813 -3.797 3.222) 15.627 11.068 ( 0.191 18.786 -3.498) 19.109 11.164 ( 2.972 11.823 -3.157) 12.593 11.584 ( -1.906 29.039 11.136) 31.159 11.752 ( 2.539 21.607 -4.457) 22.207 12.079 ( 9.646 4.969 7.168) 13.004 13.133 ( -7.183 3.559 9.224) 12.221 13.157 ( -6.475 2.918 -1.756) 7.316 14.126 ( 5.846 6.526 -37.777) 38.780 14.220 ( -5.843 5.044 33.498) 34.376 14.644 ( 2.270 -3.915 25.179) 25.582 14.867 ( 16.844 -3.923 -32.774) 37.058 18.724 ( -1.296 -7.141 20.983) 22.203 18.833 ( 6.102 -7.175 -16.597) 19.083 19.629 ( -15.576 -10.097 2.839) 18.778 20.105 ( -9.598 -13.704 1.066) 16.765 ======================= Grid point 577 (286/312) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.642 ( 6.251 4.930 -6.964) 10.577 3.857 ( 26.881 4.365 -6.027) 27.892 4.080 ( -1.044 3.496 -10.109) 10.748 4.909 ( 14.148 -3.503 24.367) 28.393 5.210 ( 9.171 9.428 24.071) 27.430 5.567 ( 14.483 3.853 -7.059) 16.566 6.158 ( 4.839 -6.518 -21.959) 23.411 6.469 ( -9.774 -6.567 -1.916) 11.930 6.681 ( -10.938 -1.953 5.662) 12.471 6.931 ( -13.168 -5.917 -5.465) 15.436 7.150 ( 5.858 -0.334 -13.049) 14.308 7.462 ( 1.117 8.797 12.892) 15.647 8.234 ( 10.693 1.111 -0.131) 10.751 8.759 ( -8.299 -12.910 2.742) 15.590 8.900 ( 3.114 -0.490 16.760) 17.054 8.981 ( -9.207 -15.719 -17.516) 25.272 9.443 ( -12.267 -19.336 2.035) 22.989 9.773 ( -10.485 -8.050 -7.827) 15.363 10.225 ( 2.272 16.553 -2.063) 16.835 10.330 ( -4.273 10.875 4.561) 12.543 10.867 ( 6.315 5.338 -2.261) 8.573 11.062 ( 7.461 4.458 -3.083) 9.222 11.225 ( 0.765 21.701 4.881) 22.256 11.594 ( 1.353 20.488 6.485) 21.532 11.727 ( -2.587 22.216 -4.072) 22.734 12.280 ( 8.364 3.976 2.435) 9.575 12.989 ( -9.047 3.690 0.298) 9.775 13.036 ( -6.687 5.217 8.082) 11.715 14.117 ( 6.822 6.711 -39.418) 40.563 14.206 ( -7.582 5.362 35.594) 36.786 14.808 ( 4.843 -5.260 28.049) 28.945 15.074 ( 15.415 -4.679 -35.583) 39.060 18.801 ( 2.029 -8.435 21.186) 22.893 18.894 ( 5.719 -8.115 -15.158) 18.120 19.357 ( -13.733 -9.153 7.747) 18.232 19.858 ( -14.460 -13.041 -5.371) 20.199 ======================= Grid point 578 (287/312) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( 4.978 4.045 1.292) 6.543 3.974 ( -4.574 3.355 -10.967) 12.347 4.449 ( 32.369 0.410 1.422) 32.402 5.240 ( 7.252 0.273 12.283) 14.266 5.442 ( 7.892 0.662 22.413) 23.771 5.765 ( 6.688 2.587 -9.021) 11.524 6.125 ( -5.883 -6.682 -6.121) 10.804 6.188 ( -7.913 -5.584 -10.528) 14.305 6.580 ( -4.916 -0.943 8.559) 9.916 6.666 ( -9.234 -4.226 -11.874) 15.624 7.216 ( 6.372 0.287 -14.896) 16.205 7.441 ( -7.628 4.931 13.803) 16.523 8.463 ( 10.264 -1.564 -3.652) 11.006 8.608 ( -7.029 -14.799 10.377) 19.393 8.762 ( -0.323 -18.175 -18.471) 25.916 9.176 ( 11.832 -1.789 16.955) 20.752 9.203 ( -13.284 -16.839 3.741) 21.772 9.575 ( -6.858 -3.595 -8.789) 11.714 10.169 ( -6.274 16.375 17.612) 24.854 10.314 ( -0.640 21.817 -16.033) 27.082 10.882 ( 3.340 9.151 -6.679) 11.811 11.123 ( -5.655 14.546 3.892) 16.084 11.324 ( 7.568 18.191 3.519) 20.014 11.591 ( -5.396 20.061 -2.232) 20.893 11.814 ( 14.987 7.049 2.326) 16.724 12.357 ( -2.922 0.946 -0.772) 3.167 12.845 ( -3.704 6.864 -0.612) 7.824 12.941 ( -5.763 6.503 6.493) 10.847 14.123 ( 7.603 6.335 -39.704) 40.919 14.174 ( -8.295 5.521 37.411) 38.715 15.002 ( 4.142 -5.454 31.521) 32.257 15.189 ( 8.538 -4.899 -36.272) 37.584 18.946 ( 6.298 -9.678 5.160) 12.648 18.955 ( 4.880 -9.028 0.207) 10.264 19.167 ( -8.911 -8.626 12.532) 17.632 19.537 ( -14.869 -11.964 -12.479) 22.802 ======================= Grid point 579 (288/312) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( -2.539 3.383 -11.042) 11.824 3.848 ( 2.539 3.383 11.042) 11.824 5.042 ( -24.941 -0.070 -2.855) 25.104 5.042 ( 24.941 -0.070 2.855) 25.104 5.702 ( -8.377 -1.076 -14.707) 16.959 5.702 ( 8.377 -1.076 14.707) 16.959 6.080 ( -1.508 -3.561 -13.587) 14.127 6.080 ( 1.508 -3.561 13.587) 14.127 6.544 ( 2.271 -3.301 -18.615) 19.042 6.544 ( -2.271 -3.301 18.615) 19.042 7.314 ( 9.017 1.884 -16.089) 18.540 7.314 ( -9.017 1.884 16.089) 18.540 8.534 ( 3.837 -11.601 -12.640) 17.581 8.534 ( -3.837 -11.601 12.640) 17.581 8.926 ( 1.303 -16.203 -9.393) 18.774 8.926 ( -1.303 -16.203 9.393) 18.774 9.421 ( -5.888 -0.894 -14.182) 15.382 9.421 ( 5.888 -0.894 14.182) 15.382 10.193 ( -2.274 20.790 -19.499) 28.594 10.193 ( 2.274 20.790 19.499) 28.594 10.989 ( 8.595 13.583 -6.965) 17.518 10.989 ( -8.595 13.583 6.965) 17.518 11.463 ( -6.569 20.006 -0.845) 21.074 11.463 ( 6.569 20.006 0.845) 21.074 12.149 ( -15.974 0.214 -2.063) 16.108 12.149 ( 15.974 0.214 2.063) 16.108 12.858 ( 3.889 7.822 -3.418) 9.380 12.858 ( -3.889 7.822 3.418) 9.380 14.143 ( 9.412 5.860 -47.435) 48.714 14.143 ( -9.412 5.860 47.435) 48.714 15.155 ( 0.717 -5.172 -34.899) 35.288 15.155 ( -0.717 -5.172 34.899) 35.288 19.014 ( 5.168 -9.277 -13.644) 17.290 19.014 ( -5.168 -9.277 13.644) 17.290 19.230 ( -9.761 -10.479 -19.376) 24.094 19.230 ( 9.761 -10.479 19.376) 24.094 ======================= Grid point 585 (289/312) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( -5.817 9.740 -12.303) 16.736 3.741 ( 5.817 9.740 12.303) 16.736 4.177 ( -10.183 19.290 -23.797) 32.282 4.177 ( 10.183 19.290 23.798) 32.282 5.165 ( -3.407 10.036 -1.635) 10.724 5.165 ( 3.407 10.036 1.635) 10.724 6.169 ( -6.329 -0.487 -19.479) 20.487 6.169 ( 6.329 -0.487 19.479) 20.487 6.933 ( -1.008 -10.544 -8.007) 13.278 6.933 ( 1.008 -10.544 8.007) 13.278 7.288 ( -6.991 -3.694 -12.434) 14.735 7.288 ( 6.991 -3.694 12.434) 14.735 8.137 ( -5.911 -9.748 -9.725) 14.985 8.137 ( 5.911 -9.748 9.725) 14.985 9.401 ( 9.848 4.742 -15.765) 19.184 9.401 ( -9.848 4.742 15.765) 19.184 9.770 ( -1.086 -8.650 -11.149) 14.153 9.770 ( 1.086 -8.650 11.149) 14.153 10.453 ( -9.666 -2.952 -11.737) 15.489 10.453 ( 9.666 -2.952 11.737) 15.489 10.773 ( -12.054 6.145 -9.661) 16.625 10.773 ( 12.054 6.145 9.661) 16.625 11.662 ( -6.495 4.858 -9.266) 12.314 11.662 ( 6.495 4.858 9.266) 12.314 12.284 ( 2.978 38.937 -7.798) 39.822 12.284 ( -2.978 38.937 7.798) 39.822 13.343 ( 1.594 4.804 -6.125) 7.946 13.343 ( -1.594 4.804 6.125) 7.946 14.229 ( 6.085 0.013 -30.471) 31.073 14.229 ( -6.085 0.013 30.471) 31.073 14.616 ( 6.669 6.305 -31.735) 33.035 14.616 ( -6.669 6.305 31.735) 33.035 18.563 ( 5.603 -10.153 -21.158) 24.127 18.563 ( -5.603 -10.153 21.158) 24.127 19.788 ( -1.740 -21.587 -9.556) 23.672 19.788 ( 1.740 -21.587 9.556) 23.672 ======================= Grid point 587 (290/312) ======================= q-point: ( 0.10 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.608 ( -0.950 12.128 -19.518) 22.998 3.846 ( 1.875 11.238 -12.519) 16.928 4.020 ( 1.604 16.409 6.550) 17.741 4.485 ( 10.105 12.063 22.584) 27.525 5.117 ( -0.838 12.620 3.017) 13.003 5.252 ( 5.568 6.167 0.377) 8.317 6.030 ( -0.766 -4.895 -20.708) 21.293 6.373 ( 7.128 2.059 13.483) 15.390 6.890 ( -1.153 -11.571 -4.933) 12.631 6.967 ( -1.068 -12.241 5.484) 13.455 7.089 ( -6.135 -4.491 -12.385) 14.532 7.439 ( 4.179 1.847 9.068) 10.154 8.050 ( -0.866 -5.225 -0.175) 5.299 8.315 ( 7.187 -12.791 13.302) 19.804 9.207 ( -14.197 1.800 5.905) 15.481 9.394 ( -7.719 -3.222 -19.377) 21.105 9.600 ( -4.623 -2.049 10.182) 11.369 9.978 ( 5.634 -9.931 -0.646) 11.436 10.175 ( -8.724 -4.018 -14.654) 17.521 10.487 ( -7.029 4.183 2.443) 8.537 10.621 ( 1.768 4.996 6.873) 8.679 11.116 ( 16.619 8.917 1.347) 18.908 11.531 ( -4.046 9.669 -9.410) 14.086 11.844 ( 8.596 4.459 7.451) 12.218 12.288 ( 0.647 39.057 8.344) 39.943 12.339 ( 3.509 34.904 -5.226) 35.467 13.310 ( -3.820 6.068 7.342) 10.262 13.325 ( -1.919 5.038 -3.861) 6.631 14.229 ( -0.964 0.879 14.138) 14.198 14.291 ( 6.793 2.602 -14.026) 15.800 14.572 ( -4.637 4.862 16.175) 17.515 14.663 ( 6.848 2.440 -21.828) 23.007 18.533 ( -4.923 -10.845 21.920) 24.946 18.602 ( 5.455 -10.683 -19.771) 23.125 19.607 ( -11.590 -19.422 -1.253) 22.652 19.838 ( -1.962 -23.119 3.184) 23.419 ======================= Grid point 588 (291/312) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( 10.894 11.771 -20.733) 26.212 3.821 ( 2.195 13.193 -10.144) 16.786 4.154 ( 5.318 8.074 6.759) 11.796 4.671 ( 3.700 5.440 17.733) 18.914 5.188 ( 4.738 9.500 13.792) 17.404 5.401 ( 10.649 3.430 -3.619) 11.759 5.990 ( 3.188 -7.695 -18.998) 20.744 6.463 ( -1.427 -3.228 1.262) 3.748 6.756 ( -9.642 -11.886 0.051) 15.305 6.956 ( -5.676 -10.918 1.415) 12.386 7.040 ( 6.287 -2.440 -11.049) 12.945 7.548 ( 4.258 7.566 10.352) 13.511 8.088 ( 2.842 -3.881 6.722) 8.266 8.474 ( 4.426 -14.906 10.154) 18.571 8.903 ( -16.999 -3.658 2.467) 17.562 9.091 ( -14.952 -6.380 -14.996) 22.117 9.473 ( -14.152 -4.722 13.578) 20.172 9.830 ( -7.293 -5.052 -12.338) 15.197 10.281 ( 13.717 3.846 -3.646) 14.705 10.544 ( 10.115 3.842 0.347) 10.825 10.658 ( 1.017 11.402 10.484) 15.523 11.361 ( 2.857 8.491 -6.407) 11.013 11.460 ( 5.418 18.807 -6.225) 20.538 11.995 ( 3.111 8.911 6.527) 11.475 12.336 ( -0.858 25.192 -4.615) 25.626 12.368 ( 3.337 36.862 5.449) 37.412 13.234 ( -6.135 6.492 2.378) 9.244 13.266 ( -3.623 9.384 5.218) 11.332 14.272 ( 0.488 5.662 10.282) 11.748 14.362 ( 3.871 8.960 -10.488) 14.327 14.567 ( -1.791 -1.857 21.495) 21.650 14.762 ( 12.936 -5.890 -30.126) 33.311 18.528 ( -3.160 -12.578 22.236) 25.741 18.639 ( 4.905 -12.235 -17.923) 22.248 19.355 ( -14.009 -17.401 2.552) 22.485 19.734 ( -8.995 -23.431 -0.208) 25.099 ======================= Grid point 589 (292/312) ======================= q-point: ( 0.30 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.787 ( 6.918 9.902 -15.268) 19.469 3.976 ( 19.611 7.593 -0.641) 21.039 4.183 ( -2.669 7.086 -4.430) 8.772 4.878 ( 12.712 -0.058 18.917) 22.791 5.340 ( 4.703 2.832 15.746) 16.676 5.619 ( 12.085 1.050 -5.961) 13.516 6.004 ( 3.632 -8.550 -14.820) 17.491 6.301 ( -13.593 -9.690 -5.951) 17.723 6.624 ( -4.521 -4.392 2.680) 6.849 6.783 ( -10.847 -8.839 -2.924) 14.294 7.118 ( 4.341 -4.437 -8.944) 10.887 7.627 ( -2.440 6.588 12.629) 14.452 8.182 ( 3.938 -9.591 8.564) 13.448 8.440 ( -8.325 -19.192 -10.840) 23.561 8.596 ( -14.473 -14.403 -4.390) 20.885 8.938 ( 2.580 1.506 9.000) 9.483 9.249 ( -9.134 -0.392 11.298) 14.534 9.705 ( -3.123 3.940 -5.500) 7.452 10.541 ( 8.300 9.071 -1.777) 12.423 10.603 ( 2.330 19.916 4.362) 20.520 10.926 ( 18.024 3.185 2.565) 18.482 11.262 ( -3.951 13.318 -7.312) 15.698 11.625 ( 8.661 18.805 -5.289) 21.369 12.000 ( -3.574 16.150 5.699) 17.495 12.238 ( -5.969 24.665 -6.798) 26.271 12.461 ( 2.299 19.294 3.101) 19.676 13.115 ( -5.871 9.822 2.255) 11.663 13.215 ( -3.828 14.042 7.183) 16.231 14.298 ( -0.180 10.687 3.194) 11.155 14.365 ( -0.389 11.182 -4.680) 12.128 14.667 ( 3.578 -8.591 25.584) 27.224 14.933 ( 14.267 -9.728 -32.942) 37.193 18.568 ( -0.062 -14.972 21.460) 26.167 18.672 ( 4.385 -14.171 -15.233) 21.262 19.107 ( -12.598 -16.003 6.551) 21.394 19.504 ( -13.175 -22.521 -5.806) 26.730 ======================= Grid point 590 (293/312) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( 4.588 7.972 -4.325) 10.164 4.071 ( -6.038 6.502 -4.231) 9.831 4.472 ( 29.051 2.131 0.694) 29.138 5.249 ( 16.562 -0.064 12.064) 20.490 5.412 ( -3.635 -3.520 8.029) 9.490 5.762 ( 3.136 -4.589 -5.112) 7.551 6.007 ( -11.716 -8.347 0.817) 14.408 6.017 ( 1.695 -6.076 -10.388) 12.153 6.545 ( -6.035 -3.652 5.927) 9.214 6.552 ( -8.948 -7.442 -9.254) 14.869 7.173 ( 6.097 -6.370 -11.757) 14.696 7.510 ( -12.736 0.063 13.422) 18.503 8.212 ( -6.499 -21.185 16.139) 27.414 8.239 ( -4.381 -22.913 -20.682) 31.176 8.502 ( 7.724 -3.121 -3.539) 9.051 8.893 ( -9.266 -9.502 3.930) 13.842 9.359 ( 10.579 13.354 16.516) 23.728 9.652 ( -1.002 11.686 -6.240) 13.286 10.532 ( -2.857 18.353 12.080) 22.156 10.707 ( 0.659 18.599 -13.155) 22.790 11.137 ( 6.866 16.086 -1.472) 17.552 11.332 ( 7.773 8.020 -1.735) 11.303 11.761 ( 7.271 22.421 3.309) 23.802 11.968 ( 1.716 13.434 -1.069) 13.586 12.086 ( -6.911 21.170 -4.447) 22.709 12.407 ( -9.072 6.422 0.246) 11.118 13.064 ( 0.284 16.036 1.397) 16.100 13.164 ( -3.680 17.026 5.227) 18.187 14.300 ( -0.022 11.240 0.742) 11.265 14.334 ( -1.253 10.921 -2.249) 11.221 14.847 ( 4.540 -10.191 29.168) 31.229 15.043 ( 7.858 -10.158 -33.316) 35.706 18.674 ( 4.025 -17.572 16.828) 24.661 18.709 ( 4.088 -15.780 -10.530) 19.405 18.929 ( -8.182 -15.269 10.562) 20.289 19.210 ( -13.202 -20.746 -12.235) 27.466 ======================= Grid point 591 (294/312) ======================= q-point: ( 0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.947 ( 0.886 6.721 -13.134) 14.781 3.947 ( -0.886 6.721 13.134) 14.781 5.037 ( -25.704 -0.613 -4.114) 26.039 5.037 ( 25.704 -0.613 4.114) 26.039 5.654 ( -12.646 -3.955 -7.313) 15.134 5.654 ( 12.646 -3.955 7.313) 15.134 5.959 ( -1.475 -8.138 -16.070) 18.073 5.959 ( 1.475 -8.138 16.070) 18.073 6.462 ( 4.311 -5.601 -26.130) 27.069 6.462 ( -4.311 -5.601 26.130) 27.069 7.303 ( 11.852 -5.015 -13.982) 19.003 7.303 ( -11.852 -5.015 13.982) 19.003 8.163 ( 3.170 -21.090 -18.349) 28.134 8.163 ( -3.170 -21.090 18.349) 28.134 8.700 ( -2.010 -7.177 -2.210) 7.774 8.700 ( 2.010 -7.177 2.210) 7.774 9.574 ( -4.329 14.359 -12.627) 19.605 9.574 ( 4.329 14.359 12.627) 19.605 10.589 ( -3.996 19.543 -14.407) 24.606 10.589 ( 3.996 19.543 14.407) 24.606 11.305 ( -7.032 17.061 -1.066) 18.484 11.305 ( 7.032 17.061 1.066) 18.484 11.921 ( -6.152 24.749 -5.445) 26.077 11.921 ( 6.152 24.749 5.445) 26.077 12.158 ( -14.390 1.134 1.472) 14.510 12.158 ( 14.390 1.134 -1.472) 14.510 13.107 ( 2.675 18.023 -1.968) 18.327 13.107 ( -2.675 18.023 1.968) 18.327 14.309 ( 7.934 10.881 -45.513) 47.464 14.309 ( -7.934 10.881 45.513) 47.464 15.004 ( 0.015 -10.212 -32.328) 33.902 15.004 ( -0.015 -10.212 32.328) 33.902 18.753 ( 3.933 -17.245 -16.572) 24.238 18.753 ( -3.933 -17.245 16.572) 24.238 18.947 ( -5.422 -17.769 -20.442) 27.622 18.947 ( 5.422 -17.769 20.442) 27.622 ======================= Grid point 597 (295/312) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.943 ( -4.251 10.356 -5.113) 12.307 3.943 ( 4.251 10.356 5.113) 12.307 4.560 ( -5.510 19.564 -15.886) 25.797 4.560 ( 5.510 19.564 15.886) 25.797 5.294 ( 1.681 2.783 -6.246) 7.041 5.294 ( -1.681 2.783 6.246) 7.041 6.230 ( -10.462 6.749 -14.472) 19.091 6.230 ( 10.462 6.749 14.472) 19.091 6.628 ( -1.960 -18.434 -4.845) 19.161 6.628 ( 1.960 -18.434 4.845) 19.161 7.225 ( -10.400 -5.196 -16.829) 20.455 7.225 ( 10.400 -5.196 16.829) 20.455 7.973 ( -2.228 -5.912 -4.547) 7.784 7.973 ( 2.228 -5.912 4.547) 7.784 9.502 ( 1.142 3.583 -4.928) 6.199 9.502 ( -1.142 3.583 4.928) 6.199 9.679 ( 10.986 1.059 -15.375) 18.927 9.679 ( -10.986 1.059 15.375) 18.927 10.368 ( -15.588 -5.776 -4.815) 17.307 10.368 ( 15.588 -5.776 4.815) 17.307 10.927 ( -14.527 9.297 -4.409) 17.802 10.927 ( 14.527 9.297 4.409) 17.802 11.682 ( -5.842 -2.346 -7.585) 9.857 11.682 ( 5.842 -2.346 7.585) 9.857 13.023 ( 0.872 33.058 -7.260) 33.857 13.023 ( -0.872 33.058 7.260) 33.857 13.478 ( 1.388 9.969 -7.461) 12.529 13.478 ( -1.388 9.969 7.461) 12.529 14.178 ( 4.780 -3.559 -21.461) 22.273 14.178 ( -4.780 -3.559 21.461) 22.273 14.797 ( 7.583 10.295 -35.254) 37.502 14.797 ( -7.583 10.295 35.254) 37.502 18.358 ( 6.158 -10.000 -23.408) 26.189 18.358 ( -6.158 -10.000 23.408) 26.189 19.330 ( 1.012 -24.266 -12.514) 27.322 19.330 ( -1.012 -24.266 12.514) 27.322 ======================= Grid point 599 (296/312) ======================= q-point: ( 0.10 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.859 ( -0.603 12.922 -10.059) 16.387 4.043 ( 5.282 9.205 -6.325) 12.354 4.398 ( -5.701 21.052 -1.738) 21.880 4.732 ( 4.405 12.786 14.217) 19.622 5.276 ( -1.117 2.514 2.610) 3.792 5.337 ( 4.839 2.966 -6.012) 8.268 5.992 ( -7.581 2.008 -12.188) 14.494 6.410 ( 1.259 -1.721 2.214) 3.074 6.587 ( -1.286 -15.056 -1.635) 15.199 6.702 ( 3.286 -14.201 8.872) 17.064 6.990 ( -5.310 -5.885 -15.720) 17.606 7.457 ( 8.070 -2.873 10.264) 13.369 7.940 ( -0.729 -4.692 8.371) 9.624 8.107 ( 5.985 -6.820 12.036) 15.073 9.268 ( -15.841 2.642 -5.302) 16.913 9.330 ( -16.006 -2.121 -1.612) 16.227 9.605 ( -6.856 0.164 14.700) 16.221 9.903 ( 8.223 4.616 -13.862) 16.765 10.100 ( -3.122 -4.330 -6.142) 8.137 10.571 ( 0.221 2.052 3.668) 4.209 10.742 ( 4.410 9.109 2.725) 10.481 11.266 ( 15.121 6.015 0.254) 16.276 11.633 ( 4.353 1.579 -5.875) 7.480 11.887 ( 10.411 -0.151 4.748) 11.444 12.956 ( -4.150 28.660 -2.704) 29.085 13.071 ( 1.988 33.660 -0.276) 33.720 13.463 ( -1.795 10.814 1.482) 11.062 13.490 ( 0.878 12.765 2.851) 13.109 14.185 ( -1.245 -3.358 18.640) 18.981 14.246 ( 8.947 -5.590 -16.734) 19.782 14.742 ( -8.343 10.018 26.648) 29.666 14.804 ( 4.436 10.126 -31.519) 33.402 18.310 ( -6.894 -11.003 24.137) 27.408 18.385 ( 4.485 -10.735 -21.858) 24.761 19.194 ( -9.279 -21.916 -1.088) 23.824 19.347 ( -2.788 -26.055 1.310) 26.236 ======================= Grid point 600 (297/312) ======================= q-point: ( 0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.884 ( 7.689 13.658 -12.636) 20.132 4.084 ( 2.823 12.772 -15.237) 20.082 4.352 ( -0.869 12.547 9.232) 15.602 4.804 ( -0.586 7.301 11.063) 13.267 5.276 ( 0.022 0.251 5.906) 5.911 5.454 ( 9.760 1.307 -10.713) 14.551 5.868 ( -1.870 -3.748 -7.315) 8.430 6.332 ( -7.122 -9.706 -3.886) 12.650 6.542 ( -1.863 -10.244 -3.876) 11.110 6.712 ( -3.951 -13.571 2.369) 14.332 6.957 ( 1.334 -5.467 -2.058) 5.992 7.608 ( 3.780 -5.597 7.488) 10.083 7.969 ( -1.059 -3.986 12.527) 13.188 8.217 ( -0.772 -9.081 10.091) 13.598 8.878 ( -22.001 -0.338 -4.629) 22.485 9.024 ( -10.403 -1.966 -5.019) 11.717 9.439 ( -11.757 2.552 15.582) 19.685 9.892 ( 0.628 9.582 -8.007) 12.503 10.287 ( 16.960 -2.146 -0.545) 17.104 10.641 ( 7.674 4.245 -0.614) 8.791 10.927 ( 10.769 15.817 4.544) 19.667 11.483 ( 7.176 3.871 -4.075) 9.115 11.753 ( 8.748 10.858 -5.890) 15.136 12.077 ( 7.320 1.313 2.921) 7.990 12.831 ( -7.319 23.481 -5.395) 25.180 13.073 ( -2.462 29.565 0.005) 29.668 13.426 ( -2.230 15.978 2.963) 16.403 13.535 ( 1.758 17.590 6.483) 18.829 14.258 ( 2.031 -4.855 20.383) 21.051 14.411 ( 13.014 -6.808 -15.457) 21.322 14.667 ( -7.795 9.220 23.960) 26.830 14.760 ( 2.983 8.359 -34.985) 36.093 18.263 ( -6.052 -13.442 23.945) 28.119 18.384 ( 2.796 -12.984 -19.251) 23.387 18.983 ( -11.925 -19.753 1.147) 23.102 19.235 ( -8.509 -26.635 -1.595) 28.006 ======================= Grid point 601 (298/312) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.018 ( 6.444 13.321 -20.657) 25.410 4.143 ( 10.868 9.265 5.197) 15.198 4.349 ( -2.248 9.585 -2.503) 10.158 4.885 ( 7.842 -0.031 10.952) 13.470 5.320 ( 1.489 -3.791 8.796) 9.693 5.596 ( 7.837 -4.393 -15.883) 18.248 5.858 ( 1.579 -5.305 -2.410) 6.037 6.138 ( -10.873 -5.886 -2.351) 12.585 6.499 ( -1.743 -7.991 -3.478) 8.888 6.610 ( -7.821 -8.509 1.584) 11.666 6.927 ( -3.347 -14.689 1.079) 15.104 7.593 ( -9.565 -15.484 6.610) 19.363 7.954 ( -4.134 -6.000 9.030) 11.603 8.103 ( -8.958 -9.656 -4.292) 13.853 8.528 ( -9.548 1.457 -4.167) 10.519 8.891 ( -6.868 -5.198 4.129) 9.552 9.412 ( 5.556 14.620 16.197) 22.516 9.915 ( 3.371 15.235 -2.898) 15.870 10.622 ( 13.227 -0.834 3.226) 13.640 10.830 ( 12.440 3.495 0.034) 12.922 11.171 ( 13.054 20.614 -0.768) 24.411 11.517 ( -0.237 12.335 -2.883) 12.670 11.911 ( 9.308 9.445 -7.962) 15.468 12.174 ( 1.992 3.675 1.200) 4.349 12.643 ( -9.713 20.976 -5.723) 23.813 12.955 ( -9.693 22.378 -0.355) 24.390 13.422 ( 0.776 23.199 4.746) 23.692 13.582 ( 0.384 22.003 6.694) 23.002 14.400 ( 5.190 -5.945 20.733) 22.184 14.558 ( -2.969 4.270 23.738) 24.301 14.637 ( 4.240 9.692 -21.288) 23.772 14.719 ( 7.123 -7.370 -30.595) 32.266 18.248 ( -3.311 -16.733 22.415) 28.167 18.370 ( 1.979 -15.929 -15.246) 22.138 18.763 ( -11.030 -18.299 3.594) 21.667 19.021 ( -11.633 -25.770 -6.063) 28.917 ======================= Grid point 602 (299/312) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.040 ( 3.236 10.701 -9.124) 14.430 4.218 ( -6.880 8.183 2.427) 10.963 4.538 ( 23.687 4.784 -1.860) 24.236 5.180 ( 16.363 -7.474 5.797) 18.900 5.349 ( -2.906 -3.137 5.052) 6.619 5.615 ( -0.806 -8.952 -9.242) 12.892 5.780 ( -7.623 -9.311 -3.090) 12.424 6.029 ( -0.832 2.977 -0.767) 3.185 6.389 ( -13.884 -8.999 4.894) 17.254 6.430 ( -4.689 -7.034 -1.113) 8.527 6.919 ( 4.481 -18.962 -5.524) 20.252 7.321 ( -16.823 -20.385 4.601) 26.828 7.900 ( -1.990 -6.303 0.341) 6.618 7.964 ( -4.909 -6.087 0.457) 7.833 8.478 ( 3.841 -0.206 -2.932) 4.837 8.745 ( -8.955 -6.456 4.880) 12.070 9.671 ( 12.335 17.687 14.438) 25.951 9.971 ( 2.142 18.583 -4.364) 19.208 10.793 ( 4.962 7.521 6.595) 11.166 10.991 ( 1.080 8.283 -6.466) 10.564 11.426 ( 14.017 12.377 -2.296) 18.840 11.564 ( 5.055 17.759 3.300) 18.757 12.045 ( 7.588 6.041 -8.333) 12.787 12.188 ( -0.133 5.606 1.409) 5.782 12.443 ( -7.881 22.249 -3.555) 23.869 12.711 ( -14.699 20.561 -0.220) 25.276 13.478 ( 3.015 25.701 3.454) 26.107 13.587 ( -1.699 24.748 3.823) 25.099 14.529 ( -4.617 11.222 31.018) 33.307 14.565 ( 2.728 5.145 -12.895) 14.149 14.634 ( 4.380 -4.901 3.449) 7.423 14.799 ( 6.990 -14.192 -26.716) 31.049 18.294 ( 0.749 -20.233 18.964) 27.741 18.366 ( 2.301 -18.594 -11.169) 21.812 18.599 ( -7.166 -17.676 6.599) 20.183 18.767 ( -10.789 -23.490 -11.118) 28.138 ======================= Grid point 603 (300/312) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.102 ( 2.782 8.842 -13.275) 16.191 4.102 ( -2.782 8.842 13.275) 16.191 5.017 ( -22.394 -1.256 -4.194) 22.818 5.017 ( 22.394 -1.256 4.194) 22.818 5.530 ( -4.450 -9.133 -11.418) 15.284 5.530 ( 4.450 -9.133 11.418) 15.284 5.825 ( -12.878 -4.321 -6.065) 14.876 5.825 ( 12.877 -4.321 6.065) 14.876 6.327 ( 4.155 -7.339 -27.110) 28.392 6.327 ( -4.155 -7.339 27.111) 28.392 7.058 ( 6.549 -19.106 -9.608) 22.366 7.058 ( -6.549 -19.106 9.608) 22.366 7.899 ( 2.619 -5.471 -13.252) 14.574 7.899 ( -2.619 -5.471 13.252) 14.574 8.592 ( 6.762 -4.330 -3.632) 8.813 8.592 ( -6.762 -4.330 3.632) 8.813 9.909 ( -6.117 18.348 -10.416) 21.967 9.909 ( 6.117 18.348 10.416) 21.967 10.907 ( -4.120 11.540 -8.615) 14.978 10.907 ( 4.120 11.540 8.615) 14.978 11.611 ( 2.553 13.979 -4.996) 15.062 11.611 ( -2.553 13.979 4.996) 15.062 12.155 ( 3.086 1.394 -5.106) 6.127 12.155 ( -3.086 1.394 5.106) 6.127 12.441 ( -1.835 25.615 -8.231) 26.967 12.441 ( 1.835 25.615 8.231) 26.967 13.546 ( -2.378 25.761 -0.598) 25.877 13.546 ( 2.378 25.761 0.598) 25.877 14.540 ( 6.131 11.236 -41.304) 43.242 14.540 ( -6.131 11.236 41.304) 43.242 14.767 ( -0.807 -13.146 -25.708) 28.885 14.767 ( 0.807 -13.146 25.708) 28.885 18.367 ( 1.941 -21.298 -17.777) 27.810 18.367 ( -1.941 -21.298 17.777) 27.810 18.575 ( -0.683 -19.335 -18.399) 26.699 18.575 ( 0.683 -19.335 18.399) 26.699 ======================= Grid point 609 (301/312) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.115 ( -0.136 6.614 -2.208) 6.974 4.115 ( 0.136 6.614 2.208) 6.974 4.917 ( 0.315 16.213 -8.224) 18.182 4.917 ( -0.315 16.213 8.224) 18.182 5.297 ( 2.424 -1.621 -8.841) 9.309 5.297 ( -2.424 -1.621 8.841) 9.309 6.272 ( -1.483 -15.058 -4.072) 15.670 6.272 ( 1.483 -15.058 4.072) 15.670 6.409 ( -11.428 9.133 -10.073) 17.762 6.409 ( 11.428 9.133 10.073) 17.762 7.063 ( -10.366 -10.334 -16.138) 21.787 7.063 ( 10.366 -10.334 16.138) 21.787 7.914 ( 3.487 -0.853 -1.394) 3.851 7.914 ( -3.487 -0.853 1.394) 3.851 9.511 ( -3.322 -0.824 -4.846) 5.933 9.511 ( 3.322 -0.824 4.846) 5.933 9.818 ( 9.609 10.533 -17.525) 22.593 9.818 ( -9.609 10.533 17.525) 22.593 10.229 ( -16.735 -8.428 -0.757) 18.752 10.229 ( 16.735 -8.428 0.757) 18.752 11.121 ( -10.307 10.025 -2.195) 14.545 11.121 ( 10.307 10.025 2.195) 14.545 11.585 ( -3.896 -7.031 -5.134) 9.538 11.585 ( 3.896 -7.031 5.134) 9.538 13.436 ( -0.774 11.082 -4.988) 12.178 13.436 ( 0.774 11.082 4.988) 12.178 13.712 ( 1.276 7.432 -8.476) 11.345 13.712 ( -1.276 7.432 8.476) 11.345 14.203 ( 1.634 9.492 -12.837) 16.049 14.203 ( -1.634 9.492 12.837) 16.049 14.943 ( 6.500 3.456 -27.459) 28.429 14.943 ( -6.500 3.456 27.459) 28.429 18.214 ( 5.461 -3.916 -20.608) 21.676 18.214 ( -5.461 -3.916 20.608) 21.676 18.894 ( 2.101 -18.930 -12.676) 22.879 18.894 ( -2.101 -18.930 12.676) 22.879 ======================= Grid point 611 (302/312) ======================= q-point: ( 0.10 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.083 ( 0.301 9.407 -1.664) 9.558 4.187 ( 4.969 4.735 -4.410) 8.159 4.801 ( -7.160 19.050 -2.015) 20.451 4.963 ( -0.079 10.294 1.391) 10.388 5.280 ( -1.489 -1.147 3.594) 4.055 5.339 ( 5.300 -2.098 -11.452) 12.792 6.070 ( -11.853 0.934 -15.178) 19.281 6.249 ( -4.944 -6.500 8.058) 11.473 6.300 ( 1.164 -13.419 -5.244) 14.455 6.552 ( -2.599 -5.190 1.759) 6.065 6.910 ( 0.239 0.250 -1.740) 1.774 7.282 ( 5.504 -13.226 11.213) 18.192 7.926 ( 2.069 2.643 10.872) 11.378 8.035 ( 5.924 -2.000 10.058) 11.843 9.261 ( -16.129 -1.028 -4.695) 16.830 9.313 ( -20.895 -2.100 -1.615) 21.062 9.656 ( -7.216 6.517 13.166) 16.367 9.977 ( -5.138 -6.462 -1.650) 8.418 10.124 ( 14.969 13.194 -10.261) 22.437 10.539 ( 9.869 -5.090 -0.763) 11.130 10.966 ( 3.790 12.675 3.652) 13.724 11.320 ( 6.406 -1.577 -0.146) 6.599 11.646 ( 14.494 1.668 -1.703) 14.689 11.837 ( 13.906 -4.654 -1.350) 14.726 13.349 ( -5.136 13.258 -3.782) 14.713 13.463 ( -0.691 9.324 0.713) 9.377 13.724 ( 2.493 6.157 -0.939) 6.708 13.766 ( 4.285 10.208 0.196) 11.073 14.191 ( 0.622 6.680 -3.000) 7.349 14.226 ( -0.336 8.708 9.987) 13.255 14.892 ( -7.568 4.548 24.672) 26.204 14.955 ( 4.478 3.431 -28.946) 29.490 18.152 ( -8.147 -4.060 21.939) 23.752 18.220 ( 1.855 -5.605 -18.252) 19.183 18.802 ( -6.921 -16.723 -1.096) 18.131 18.877 ( -3.461 -20.514 -1.863) 20.887 ======================= Grid point 612 (303/312) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.131 ( 5.598 10.945 -2.117) 12.474 4.273 ( 6.062 5.647 -9.638) 12.710 4.642 ( -7.725 16.261 -1.420) 18.059 4.918 ( -4.496 3.754 -0.508) 5.879 5.258 ( -1.778 -1.351 2.704) 3.507 5.410 ( 5.801 -5.596 -15.400) 17.382 5.858 ( -4.460 2.183 -6.925) 8.521 6.178 ( -5.265 -4.792 7.048) 10.018 6.306 ( 2.662 -12.730 -9.644) 16.191 6.466 ( -4.505 -10.697 3.805) 12.214 6.895 ( -5.940 0.776 5.586) 8.191 7.328 ( -4.085 -18.253 6.508) 19.804 7.998 ( -1.178 4.103 12.371) 13.087 8.121 ( -2.564 -2.380 9.821) 10.426 8.871 ( -20.243 0.103 -4.333) 20.702 8.966 ( -11.891 -3.835 -1.719) 12.612 9.591 ( -1.703 11.643 13.549) 17.946 10.006 ( 6.115 -3.315 2.660) 7.447 10.327 ( 11.382 9.804 -4.424) 15.660 10.666 ( 7.029 -2.166 -1.915) 7.600 11.233 ( 17.731 14.294 1.370) 22.816 11.512 ( 12.413 -0.789 -0.494) 12.448 11.898 ( 9.987 4.923 -4.855) 12.147 12.061 ( 9.459 -2.854 -1.615) 10.011 13.217 ( -6.683 16.473 -5.363) 18.568 13.409 ( -5.094 9.191 0.115) 10.509 13.797 ( 4.716 6.617 1.192) 8.212 13.863 ( 4.765 15.584 1.557) 16.370 14.226 ( 2.564 0.841 6.169) 6.733 14.267 ( 3.132 2.604 1.566) 4.363 14.825 ( -7.662 6.024 23.550) 25.487 14.922 ( 2.764 4.499 -30.877) 31.325 18.060 ( -8.788 -6.010 22.210) 24.630 18.168 ( -1.171 -8.605 -14.648) 17.029 18.633 ( -9.521 -14.548 -1.688) 17.469 18.753 ( -7.871 -20.981 -4.424) 22.841 ======================= Grid point 613 (304/312) ======================= q-point: ( 0.30 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.273 ( 7.497 11.510 -11.724) 18.059 4.327 ( 3.399 8.978 0.700) 9.626 4.539 ( -1.761 9.522 -4.374) 10.625 4.844 ( 0.736 -4.553 -0.842) 4.689 5.243 ( -0.792 -2.951 4.993) 5.854 5.431 ( 1.746 -11.056 -14.251) 18.121 5.849 ( 2.420 4.847 -3.138) 6.260 6.087 ( -5.428 -0.019 4.462) 7.027 6.335 ( 1.295 -8.537 -5.046) 10.001 6.419 ( -1.478 -12.568 5.327) 13.730 6.692 ( -16.209 -4.085 5.629) 17.639 7.161 ( -14.286 -23.052 3.069) 27.293 7.946 ( -5.551 1.841 4.769) 7.546 8.018 ( -7.337 -1.630 2.395) 7.888 8.580 ( -8.723 3.636 -1.648) 9.593 8.777 ( -9.019 -5.981 4.099) 11.573 9.734 ( 10.426 17.132 14.519) 24.759 10.157 ( 7.208 4.666 3.768) 9.376 10.592 ( 15.216 1.798 0.955) 15.352 10.839 ( 11.565 -2.633 -2.172) 12.058 11.538 ( 11.735 15.121 -4.415) 19.643 11.724 ( 8.846 7.647 3.083) 12.092 12.011 ( 5.307 2.940 -6.927) 9.208 12.190 ( 4.382 -1.894 -1.041) 4.886 13.061 ( -6.992 20.398 -6.800) 22.610 13.270 ( -8.995 11.358 -0.157) 14.490 13.895 ( 3.696 13.905 5.229) 15.309 13.953 ( 3.756 15.746 4.332) 16.757 14.303 ( 1.218 1.627 16.922) 17.044 14.377 ( 9.593 -11.896 -16.099) 22.198 14.763 ( -6.832 6.975 24.120) 26.021 14.863 ( 2.266 5.929 -31.149) 31.790 17.978 ( -6.796 -9.282 20.822) 23.789 18.089 ( -2.223 -11.962 -9.769) 15.603 18.442 ( -9.122 -13.154 -1.779) 16.106 18.558 ( -9.689 -19.952 -7.338) 23.363 ======================= Grid point 614 (305/312) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.253 ( 0.346 10.411 -10.391) 14.713 4.365 ( -6.172 5.942 4.459) 9.658 4.659 ( 17.456 7.420 -4.007) 19.386 5.001 ( 12.073 -9.886 -0.914) 15.631 5.258 ( 0.057 -4.911 6.919) 8.485 5.397 ( -0.324 -11.978 -12.655) 17.428 5.760 ( -10.465 6.166 5.000) 13.135 6.101 ( 6.303 3.778 -9.084) 11.684 6.189 ( -20.508 -11.004 12.637) 26.483 6.356 ( -7.501 0.585 3.889) 8.469 6.533 ( 5.927 -17.519 -8.417) 20.319 6.877 ( -13.917 -21.813 3.670) 26.134 7.874 ( -1.871 1.090 -1.013) 2.391 7.916 ( -4.095 -0.678 2.590) 4.893 8.491 ( -0.681 1.644 -0.798) 1.950 8.632 ( -7.490 -5.230 4.805) 10.322 10.013 ( 11.973 16.546 12.320) 23.852 10.274 ( 3.044 9.726 -0.298) 10.196 10.857 ( 10.788 1.430 2.995) 11.287 11.030 ( 5.864 -2.645 -3.041) 7.116 11.677 ( 8.146 12.474 -5.201) 15.780 11.874 ( 3.327 10.349 4.457) 11.749 12.084 ( 4.460 0.807 -3.789) 5.908 12.227 ( -0.433 -0.417 -0.617) 0.862 12.928 ( -3.065 23.905 -7.738) 25.313 13.079 ( -10.141 16.055 1.468) 19.046 13.972 ( 2.375 19.972 6.305) 21.078 14.024 ( 1.553 16.198 2.922) 16.532 14.394 ( 2.178 -5.158 15.515) 16.494 14.473 ( 5.866 -14.169 -20.043) 25.237 14.733 ( -4.854 6.927 26.753) 28.059 14.806 ( 2.538 6.096 -29.536) 30.265 17.950 ( -2.576 -13.156 17.322) 21.904 18.028 ( -1.260 -14.817 -6.500) 16.229 18.288 ( -5.981 -12.821 0.239) 14.150 18.354 ( -7.585 -17.188 -9.504) 21.054 ======================= Grid point 615 (306/312) ======================= q-point: ( 0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.268 ( 2.725 7.376 -9.413) 12.265 4.268 ( -2.725 7.376 9.413) 12.265 5.002 ( -13.807 0.058 -3.253) 14.185 5.002 ( 13.807 0.058 3.253) 14.185 5.331 ( -2.258 -9.877 -12.287) 15.925 5.331 ( 2.258 -9.877 12.287) 15.925 5.775 ( -11.301 -1.947 -4.420) 12.290 5.775 ( 11.301 -1.947 4.420) 12.290 6.238 ( 5.141 -0.139 -22.311) 22.896 6.238 ( -5.141 -0.139 22.311) 22.896 6.669 ( 6.961 -18.587 -9.539) 22.021 6.669 ( -6.961 -18.587 9.539) 22.021 7.869 ( 1.720 0.429 -7.778) 7.977 7.869 ( -1.720 0.429 7.778) 7.977 8.526 ( 4.478 -2.401 -2.870) 5.836 8.526 ( -4.478 -2.401 2.870) 5.836 10.233 ( -6.107 13.640 -7.299) 16.632 10.233 ( 6.107 13.640 7.299) 16.632 11.018 ( -4.244 0.764 -3.810) 5.754 11.018 ( 4.244 0.764 3.810) 5.754 11.841 ( 4.819 9.211 -3.313) 10.911 11.841 ( -4.819 9.211 3.313) 10.911 12.169 ( -0.480 0.030 -5.006) 5.029 12.169 ( 0.480 0.030 5.006) 5.029 12.928 ( 3.633 22.446 -10.456) 25.027 12.928 ( -3.633 22.446 10.456) 25.027 14.025 ( -0.394 19.597 -4.065) 20.019 14.025 ( 0.394 19.597 4.065) 20.019 14.469 ( 1.620 -11.016 -21.115) 23.871 14.469 ( -1.620 -11.016 21.115) 23.871 14.757 ( 2.709 5.965 -28.632) 29.372 14.757 ( -2.709 5.965 28.632) 29.372 17.985 ( 0.260 -15.968 -13.092) 20.651 17.985 ( -0.260 -15.968 13.092) 20.651 18.239 ( 0.930 -13.755 -11.423) 17.904 18.239 ( -0.930 -13.755 11.423) 17.905 ======================= Grid point 621 (307/312) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.182 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 5.116 ( -0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 -0.000) 0.000 5.258 ( -0.000 0.000 0.000) 0.000 6.098 ( -0.000 0.000 0.000) 0.000 6.098 ( 0.000 0.000 0.000) 0.000 6.538 ( -0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 6.922 ( -0.000 0.000 -0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 7.910 ( -0.000 0.000 0.000) 0.000 7.910 ( 0.000 0.000 0.000) 0.000 9.502 ( 0.000 0.000 0.000) 0.000 9.502 ( 0.000 0.000 0.000) 0.000 10.003 ( 0.000 -0.000 -0.000) 0.000 10.003 ( -0.000 0.000 0.000) 0.000 10.070 ( -0.000 0.000 -0.000) 0.000 10.070 ( -0.000 0.000 0.000) 0.000 11.258 ( 0.000 0.000 0.000) 0.000 11.258 ( 0.000 0.000 0.000) 0.000 11.475 ( -0.000 -0.000 0.000) 0.000 11.475 ( -0.000 0.000 0.000) 0.000 13.554 ( 0.000 0.000 -0.000) 0.000 13.554 ( -0.000 0.000 0.000) 0.000 13.732 ( -0.000 0.000 -0.000) 0.000 13.732 ( 0.000 0.000 0.000) 0.000 14.374 ( 0.000 0.000 -0.000) 0.000 14.374 ( 0.000 0.000 0.000) 0.000 14.954 ( -0.000 0.000 0.000) 0.000 14.954 ( -0.000 0.000 0.000) 0.000 18.191 ( 0.000 -0.000 -0.000) 0.000 18.191 ( -0.000 0.000 0.000) 0.000 18.683 ( -0.000 0.000 0.000) 0.000 18.683 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 625 (308/312) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.206 ( 2.627 -2.870 -0.499) 3.923 4.206 ( 2.627 2.870 -0.499) 3.923 5.058 ( -4.770 -4.539 -4.793) 8.144 5.058 ( -4.770 4.539 -4.793) 8.144 5.278 ( 1.522 -3.442 -2.837) 4.713 5.278 ( 1.522 3.442 -2.837) 4.713 6.052 ( -3.428 -4.923 -6.272) 8.679 6.052 ( -3.428 4.923 -6.272) 8.679 6.390 ( -7.944 -10.110 -3.112) 13.229 6.390 ( -7.944 10.110 -3.112) 13.229 7.030 ( 3.129 -10.928 10.309) 15.345 7.030 ( 3.129 10.928 10.309) 15.345 7.990 ( 5.110 -3.052 9.856) 11.514 7.990 ( 5.110 3.052 9.856) 11.514 9.266 ( -19.366 -1.693 -2.680) 19.624 9.266 ( -19.366 1.693 -2.680) 19.624 9.819 ( -5.756 -9.022 6.312) 12.424 9.819 ( -5.756 9.022 6.312) 12.424 10.377 ( 14.316 -11.311 -5.852) 19.160 10.377 ( 14.316 11.311 -5.852) 19.160 11.197 ( 3.376 -10.098 2.888) 11.032 11.197 ( 3.376 10.098 2.888) 11.032 11.727 ( 16.830 -5.879 -3.090) 18.093 11.727 ( 16.830 5.879 -3.090) 18.093 13.526 ( -2.505 -4.034 -0.745) 4.806 13.526 ( -2.505 4.034 -0.745) 4.806 13.765 ( 3.839 -3.053 -3.170) 5.840 13.765 ( 3.839 3.053 -3.170) 5.840 14.366 ( -1.980 -1.782 7.333) 7.802 14.366 ( -1.980 1.782 7.333) 7.802 14.942 ( -0.506 -2.375 -3.640) 4.376 14.942 ( -0.506 2.375 -3.640) 4.376 18.151 ( -4.651 -2.435 3.808) 6.485 18.151 ( -4.651 2.435 3.808) 6.485 18.634 ( -4.270 -2.011 -3.958) 6.160 18.634 ( -4.270 2.011 -3.958) 6.160 ======================= Grid point 627 (309/312) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.285 ( 5.806 -4.246 -0.395) 7.204 4.285 ( 5.806 4.246 -0.395) 7.204 4.902 ( -8.308 -7.635 -10.978) 15.743 4.902 ( -8.308 7.635 -10.978) 15.743 5.277 ( -0.483 -5.394 -2.952) 6.168 5.277 ( -0.483 5.394 -2.952) 6.168 5.981 ( 0.510 -11.095 -8.099) 13.746 5.981 ( 0.510 11.095 -8.099) 13.746 6.291 ( -3.774 -7.095 5.833) 9.930 6.291 ( -3.774 7.095 5.833) 9.930 7.018 ( -7.733 -11.886 7.192) 15.900 7.018 ( -7.733 11.886 7.192) 15.900 8.073 ( -2.371 -3.127 10.308) 11.030 8.073 ( -2.371 3.127 10.308) 11.030 8.898 ( -15.572 -2.698 -2.126) 15.946 8.898 ( -15.572 2.698 -2.126) 15.946 9.832 ( 4.823 -11.950 9.279) 15.879 9.832 ( 4.823 11.950 9.279) 15.879 10.548 ( 7.930 -9.796 -4.196) 13.283 10.548 ( 7.930 9.796 -4.196) 13.283 11.443 ( 17.327 -6.854 1.427) 18.687 11.443 ( 17.327 6.854 1.427) 18.687 11.983 ( 10.146 -4.422 -4.348) 11.892 11.983 ( 10.146 4.422 -4.348) 11.892 13.456 ( -4.391 -6.169 -1.310) 7.685 13.456 ( -4.391 6.169 -1.310) 7.685 13.857 ( 7.093 -5.682 -5.703) 10.730 13.857 ( 7.093 5.682 -5.703) 10.730 14.357 ( -2.181 -3.336 12.343) 12.971 14.357 ( -2.181 3.336 12.343) 12.971 14.911 ( -0.997 -3.740 -6.147) 7.264 14.911 ( -0.997 3.740 -6.147) 7.264 18.048 ( -7.429 -3.821 6.911) 10.842 18.048 ( -7.429 3.821 6.911) 10.842 18.501 ( -7.247 -3.036 -7.015) 10.533 18.501 ( -7.247 3.036 -7.015) 10.533 ======================= Grid point 629 (310/312) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.415 ( 5.866 -1.898 -0.349) 6.175 4.415 ( 5.866 1.898 -0.349) 6.175 4.715 ( -3.865 -8.335 -11.193) 14.481 4.715 ( -3.865 8.335 -11.193) 14.481 5.253 ( -0.854 -5.206 -2.309) 5.759 5.253 ( -0.854 5.206 -2.309) 5.759 6.017 ( 3.297 -10.043 -1.849) 10.730 6.017 ( 3.297 10.043 -1.849) 10.730 6.240 ( -3.762 -3.342 3.818) 6.316 6.240 ( -3.762 3.342 3.818) 6.316 6.795 ( -15.957 -13.176 4.510) 21.180 6.795 ( -15.957 13.176 4.510) 21.180 7.986 ( -6.463 -1.975 3.040) 7.410 7.986 ( -6.463 1.975 3.040) 7.410 8.667 ( -8.987 -5.218 2.132) 10.609 8.667 ( -8.987 5.218 2.132) 10.609 10.041 ( 11.136 -13.198 11.403) 20.694 10.041 ( 11.136 13.198 11.403) 20.694 10.726 ( 11.781 -8.413 -3.062) 14.797 10.726 ( 11.781 8.414 -3.062) 14.797 11.742 ( 11.382 -5.683 -1.159) 12.774 11.742 ( 11.382 5.683 -1.159) 12.774 12.105 ( 4.898 -6.125 -2.773) 8.318 12.105 ( 4.898 6.125 -2.773) 8.318 13.348 ( -5.864 -6.117 -2.202) 8.755 13.348 ( -5.864 6.117 -2.202) 8.755 13.989 ( 7.969 -6.906 -5.804) 12.036 13.989 ( 7.969 6.906 -5.804) 12.036 14.371 ( -0.693 -3.714 12.869) 13.412 14.371 ( -0.693 3.714 12.869) 13.412 14.866 ( -1.218 -3.981 -6.825) 7.995 14.866 ( -1.218 3.981 -6.825) 7.995 17.928 ( -7.167 -3.887 8.519) 11.792 17.928 ( -7.167 3.887 8.519) 11.792 18.323 ( -7.840 -2.696 -8.395) 11.798 18.323 ( -7.840 2.696 -8.395) 11.798 ======================= Grid point 631 (311/312) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.400 ( -3.904 -3.299 -3.846) 6.397 4.400 ( -3.904 3.299 -3.846) 6.397 4.817 ( 13.756 -8.770 -2.504) 16.505 4.817 ( 13.756 8.770 -2.504) 16.505 5.231 ( -0.598 -3.577 -2.402) 4.350 5.231 ( -0.598 3.577 -2.402) 4.350 5.947 ( -14.353 -11.753 10.261) 21.200 5.947 ( -14.353 11.753 10.261) 21.200 6.233 ( 6.142 -9.341 -12.153) 16.513 6.233 ( 6.142 9.341 -12.153) 16.513 6.529 ( -11.206 -13.074 6.328) 18.345 6.529 ( -11.206 13.074 6.328) 18.345 7.901 ( -2.737 -1.190 0.379) 3.008 7.901 ( -2.737 1.190 0.379) 3.009 8.544 ( -4.698 -3.693 2.627) 6.528 8.544 ( -4.698 3.693 2.627) 6.528 10.275 ( 8.480 -8.797 8.069) 14.643 10.275 ( 8.480 8.797 8.069) 14.643 10.933 ( 8.522 -6.063 -2.194) 10.687 10.933 ( 8.522 6.063 -2.194) 10.687 11.876 ( 5.056 -7.216 -2.717) 9.220 11.876 ( 5.056 7.216 -2.717) 9.220 12.170 ( 1.254 -5.416 0.571) 5.588 12.170 ( 1.254 5.416 0.571) 5.588 13.235 ( -4.345 -3.913 -2.138) 6.226 13.235 ( -4.345 3.913 -2.138) 6.226 14.103 ( 4.925 -4.579 -3.448) 7.557 14.103 ( 4.925 4.579 -3.448) 7.557 14.410 ( 0.580 -2.412 8.458) 8.814 14.410 ( 0.580 2.412 8.458) 8.814 14.822 ( -1.014 -3.013 -5.095) 6.005 14.822 ( -1.014 3.013 -5.095) 6.005 17.843 ( -4.074 -2.711 6.980) 8.525 17.843 ( -4.074 2.711 6.980) 8.525 18.163 ( -5.371 -1.406 -6.748) 8.738 18.163 ( -5.371 1.406 -6.748) 8.738 ======================= Grid point 633 (312/312) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.349 ( -0.000 0.000 -0.000) 0.000 4.349 ( -0.000 0.000 0.000) 0.000 5.014 ( -0.000 -0.000 -0.000) 0.000 5.014 ( 0.000 0.000 -0.000) 0.000 5.213 ( -0.000 -0.000 0.000) 0.000 5.213 ( -0.000 0.000 0.000) 0.000 5.749 ( -0.000 0.000 0.000) 0.000 5.749 ( -0.000 0.000 0.000) 0.000 6.306 ( -0.000 -0.000 -0.000) 0.000 6.306 ( -0.000 0.000 0.000) 0.000 6.417 ( -0.000 -0.000 -0.000) 0.000 6.417 ( -0.000 0.000 0.000) 0.000 7.877 ( -0.000 -0.000 0.000) 0.000 7.877 ( -0.000 0.000 0.000) 0.000 8.502 ( -0.000 0.000 -0.000) 0.000 8.502 ( -0.000 0.000 0.000) 0.000 10.381 ( -0.000 0.000 0.000) 0.000 10.381 ( -0.000 -0.000 0.000) 0.000 11.008 ( -0.000 0.000 -0.000) 0.000 11.008 ( -0.000 0.000 0.000) 0.000 11.940 ( -0.000 -0.000 0.000) 0.000 11.940 ( -0.000 0.000 0.000) 0.000 12.164 ( -0.000 -0.000 -0.000) 0.000 12.164 ( 0.000 0.000 -0.000) 0.000 13.187 ( -0.000 -0.000 0.000) 0.000 13.187 ( -0.000 0.000 0.000) 0.000 14.146 ( -0.000 -0.000 -0.000) 0.000 14.146 ( -0.000 0.000 -0.000) 0.000 14.434 ( -0.000 -0.000 0.000) 0.000 14.434 ( -0.000 0.000 0.000) 0.000 14.802 ( -0.000 0.000 0.000) 0.000 14.802 ( -0.000 0.000 0.000) 0.000 17.817 ( -0.000 0.000 -0.000) 0.000 17.817 ( -0.000 0.000 0.000) 0.000 18.095 ( -0.000 0.000 -0.000) 0.000 18.095 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/36000 10.0 3691.300 12468.005 7573.943 0.000 -270.641 0.000 3/36000 20.0 1596.720 2397.311 2059.192 0.000 -196.105 0.000 3/36000 30.0 592.342 761.027 740.490 0.000 -55.602 0.000 3/36000 40.0 259.639 319.639 323.819 0.000 -17.082 0.000 3/36000 50.0 138.079 167.595 172.807 0.000 -6.318 0.000 3/36000 60.0 84.942 102.710 107.019 0.000 -2.696 0.000 3/36000 70.0 57.933 70.143 73.684 0.000 -1.279 0.000 3/36000 80.0 42.555 51.751 54.743 0.000 -0.664 0.000 3/36000 90.0 33.018 40.414 43.008 0.000 -0.380 0.000 3/36000 100.0 26.702 32.941 35.236 0.000 -0.245 0.000 3/36000 110.0 22.295 27.745 29.809 0.000 -0.183 0.000 3/36000 120.0 19.087 23.972 25.854 0.000 -0.157 0.000 3/36000 130.0 16.668 21.131 22.868 0.000 -0.149 0.000 3/36000 140.0 14.790 18.925 20.546 0.000 -0.151 0.000 3/36000 150.0 13.297 17.169 18.693 0.000 -0.157 0.000 3/36000 160.0 12.082 15.738 17.182 0.000 -0.166 0.000 3/36000 170.0 11.078 14.550 15.927 0.000 -0.174 0.000 3/36000 180.0 10.233 13.548 14.865 0.000 -0.182 0.000 3/36000 190.0 9.514 12.689 13.956 0.000 -0.190 0.000 3/36000 200.0 8.894 11.945 13.166 0.000 -0.196 0.000 3/36000 210.0 8.354 11.292 12.473 0.000 -0.202 0.000 3/36000 220.0 7.879 10.715 11.858 0.000 -0.206 0.000 3/36000 230.0 7.457 10.200 11.309 0.000 -0.209 0.000 3/36000 240.0 7.082 9.737 10.814 0.000 -0.212 0.000 3/36000 250.0 6.744 9.317 10.365 0.000 -0.214 0.000 3/36000 260.0 6.438 8.936 9.956 0.000 -0.215 0.000 3/36000 270.0 6.161 8.587 9.581 0.000 -0.215 0.000 3/36000 280.0 5.908 8.266 9.235 0.000 -0.215 0.000 3/36000 290.0 5.676 7.970 8.916 0.000 -0.215 0.000 3/36000 300.0 5.462 7.696 8.619 0.000 -0.214 0.000 3/36000 310.0 5.264 7.440 8.343 0.000 -0.213 0.000 3/36000 320.0 5.081 7.203 8.085 0.000 -0.212 0.000 3/36000 330.0 4.911 6.980 7.843 0.000 -0.210 0.000 3/36000 340.0 4.752 6.772 7.615 0.000 -0.208 0.000 3/36000 350.0 4.604 6.576 7.402 0.000 -0.206 0.000 3/36000 360.0 4.465 6.392 7.200 0.000 -0.204 0.000 3/36000 370.0 4.334 6.217 7.009 0.000 -0.202 0.000 3/36000 380.0 4.211 6.053 6.828 0.000 -0.200 0.000 3/36000 390.0 4.095 5.897 6.657 0.000 -0.198 0.000 3/36000 400.0 3.986 5.749 6.494 0.000 -0.195 0.000 3/36000 410.0 3.882 5.609 6.340 0.000 -0.193 0.000 3/36000 420.0 3.784 5.475 6.192 0.000 -0.191 0.000 3/36000 430.0 3.691 5.348 6.051 0.000 -0.188 0.000 3/36000 440.0 3.602 5.227 5.917 0.000 -0.186 0.000 3/36000 450.0 3.518 5.111 5.789 0.000 -0.183 0.000 3/36000 460.0 3.438 5.000 5.666 0.000 -0.181 0.000 3/36000 470.0 3.361 4.894 5.548 0.000 -0.179 0.000 3/36000 480.0 3.288 4.792 5.435 0.000 -0.176 0.000 3/36000 490.0 3.218 4.695 5.326 0.000 -0.174 0.000 3/36000 500.0 3.151 4.601 5.222 0.000 -0.172 0.000 3/36000 510.0 3.086 4.511 5.122 0.000 -0.170 0.000 3/36000 520.0 3.025 4.425 5.026 0.000 -0.167 0.000 3/36000 530.0 2.966 4.342 4.933 0.000 -0.165 0.000 3/36000 540.0 2.909 4.262 4.843 0.000 -0.163 0.000 3/36000 550.0 2.854 4.185 4.757 0.000 -0.161 0.000 3/36000 560.0 2.801 4.111 4.674 0.000 -0.159 0.000 3/36000 570.0 2.751 4.039 4.594 0.000 -0.157 0.000 3/36000 580.0 2.702 3.970 4.516 0.000 -0.155 0.000 3/36000 590.0 2.655 3.903 4.441 0.000 -0.153 0.000 3/36000 600.0 2.609 3.838 4.368 0.000 -0.151 0.000 3/36000 610.0 2.565 3.775 4.298 0.000 -0.149 0.000 3/36000 620.0 2.523 3.715 4.230 0.000 -0.147 0.000 3/36000 630.0 2.482 3.656 4.164 0.000 -0.145 0.000 3/36000 640.0 2.442 3.599 4.100 0.000 -0.144 0.000 3/36000 650.0 2.403 3.544 4.038 0.000 -0.142 0.000 3/36000 660.0 2.366 3.491 3.978 0.000 -0.140 0.000 3/36000 670.0 2.330 3.439 3.919 0.000 -0.138 0.000 3/36000 680.0 2.295 3.389 3.863 0.000 -0.137 0.000 3/36000 690.0 2.261 3.340 3.808 0.000 -0.135 0.000 3/36000 700.0 2.228 3.292 3.754 0.000 -0.134 0.000 3/36000 710.0 2.196 3.246 3.702 0.000 -0.132 0.000 3/36000 720.0 2.165 3.201 3.651 0.000 -0.131 0.000 3/36000 730.0 2.135 3.158 3.602 0.000 -0.129 0.000 3/36000 740.0 2.105 3.115 3.554 0.000 -0.128 0.000 3/36000 750.0 2.077 3.074 3.507 0.000 -0.126 0.000 3/36000 760.0 2.049 3.034 3.462 0.000 -0.125 0.000 3/36000 770.0 2.022 2.995 3.417 0.000 -0.123 0.000 3/36000 780.0 1.996 2.956 3.374 0.000 -0.122 0.000 3/36000 790.0 1.970 2.919 3.332 0.000 -0.121 0.000 3/36000 800.0 1.945 2.883 3.291 0.000 -0.119 0.000 3/36000 810.0 1.921 2.847 3.251 0.000 -0.118 0.000 3/36000 820.0 1.897 2.813 3.212 0.000 -0.117 0.000 3/36000 830.0 1.874 2.779 3.173 0.000 -0.116 0.000 3/36000 840.0 1.851 2.746 3.136 0.000 -0.114 0.000 3/36000 850.0 1.829 2.714 3.100 0.000 -0.113 0.000 3/36000 860.0 1.808 2.683 3.064 0.000 -0.112 0.000 3/36000 870.0 1.786 2.652 3.029 0.000 -0.111 0.000 3/36000 880.0 1.766 2.622 2.995 0.000 -0.110 0.000 3/36000 890.0 1.746 2.593 2.962 0.000 -0.109 0.000 3/36000 900.0 1.726 2.564 2.929 0.000 -0.108 0.000 3/36000 910.0 1.707 2.536 2.897 0.000 -0.107 0.000 3/36000 920.0 1.688 2.508 2.866 0.000 -0.106 0.000 3/36000 930.0 1.670 2.481 2.836 0.000 -0.105 0.000 3/36000 940.0 1.652 2.455 2.806 0.000 -0.104 0.000 3/36000 950.0 1.634 2.429 2.777 0.000 -0.103 0.000 3/36000 960.0 1.617 2.404 2.748 0.000 -0.102 0.000 3/36000 970.0 1.600 2.379 2.720 0.000 -0.101 0.000 3/36000 980.0 1.584 2.355 2.692 0.000 -0.100 0.000 3/36000 990.0 1.568 2.332 2.665 0.000 -0.099 0.000 3/36000 1000.0 1.552 2.308 2.639 0.000 -0.098 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:27:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|