----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:38:19]------------------------- 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: Pnma (62) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.815580790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.937034010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.508708230000000 Atomic positions (fractional): *1 S 0.78110182444612 0.25000000000000 0.03960248317861 32.065 2 S 0.28110182444612 0.25000000000000 0.46039751682139 32.065 3 S 0.71889817555388 0.75000000000000 0.53960248317862 32.065 4 S 0.21889817555388 0.75000000000000 0.96039751682138 32.065 *5 Cu 0.23999771999425 0.75000000000000 0.30966150938140 63.546 6 Cu 0.73999771999425 0.75000000000000 0.19033849061860 63.546 7 Cu 0.26000228000575 0.25000000000000 0.80966150938140 63.546 8 Cu 0.76000228000575 0.25000000000000 0.69033849061860 63.546 *9 Ag 0.98302676268221 0.25000000000000 0.33336384266607 107.868 10 Ag 0.48302676268221 0.25000000000000 0.16663615733393 107.868 11 Ag 0.51697323731779 0.75000000000000 0.83336384266607 107.868 12 Ag 0.01697323731779 0.75000000000000 0.66663615733393 107.868 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.815580790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.937034010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.508708230000000 Atomic positions (fractional): *1 S 0.78110182444612 0.25000000000000 0.03960248317861 32.065 > 1 2 S 0.28110182444612 0.25000000000000 0.46039751682139 32.065 > 2 3 S 0.71889817555388 0.75000000000000 0.53960248317862 32.065 > 3 4 S 0.21889817555388 0.75000000000000 0.96039751682138 32.065 > 4 *5 Cu 0.23999771999425 0.75000000000000 0.30966150938140 63.546 > 5 6 Cu 0.73999771999425 0.75000000000000 0.19033849061860 63.546 > 6 7 Cu 0.26000228000575 0.25000000000000 0.80966150938140 63.546 > 7 8 Cu 0.76000228000575 0.25000000000000 0.69033849061860 63.546 > 8 *9 Ag 0.98302676268221 0.25000000000000 0.33336384266607 107.868 > 9 10 Ag 0.48302676268221 0.25000000000000 0.16663615733393 107.868 > 10 11 Ag 0.51697323731779 0.75000000000000 0.83336384266607 107.868 > 11 12 Ag 0.01697323731779 0.75000000000000 0.66663615733393 107.868 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.631161580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.811102030000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.017416460000000 Atomic positions (fractional): *1 S 0.39055091222306 0.08333333333333 0.01980124158931 32.065 > 1 2 S 0.89055091222306 0.08333333333333 0.01980124158931 32.065 > 1 3 S 0.39055091222306 0.41666666666667 0.01980124158931 32.065 > 1 4 S 0.89055091222306 0.41666666666667 0.01980124158931 32.065 > 1 5 S 0.39055091222306 0.75000000000000 0.01980124158931 32.065 > 1 6 S 0.89055091222306 0.75000000000000 0.01980124158931 32.065 > 1 7 S 0.39055091222306 0.08333333333333 0.51980124158931 32.065 > 1 8 S 0.89055091222306 0.08333333333333 0.51980124158931 32.065 > 1 9 S 0.39055091222306 0.41666666666667 0.51980124158931 32.065 > 1 10 S 0.89055091222306 0.41666666666667 0.51980124158931 32.065 > 1 11 S 0.39055091222306 0.75000000000000 0.51980124158931 32.065 > 1 12 S 0.89055091222306 0.75000000000000 0.51980124158931 32.065 > 1 13 S 0.14055091222306 0.08333333333333 0.23019875841069 32.065 > 2 14 S 0.64055091222306 0.08333333333333 0.23019875841069 32.065 > 2 15 S 0.14055091222306 0.41666666666667 0.23019875841069 32.065 > 2 16 S 0.64055091222306 0.41666666666667 0.23019875841069 32.065 > 2 17 S 0.14055091222306 0.75000000000000 0.23019875841069 32.065 > 2 18 S 0.64055091222306 0.75000000000000 0.23019875841069 32.065 > 2 19 S 0.14055091222306 0.08333333333333 0.73019875841069 32.065 > 2 20 S 0.64055091222306 0.08333333333333 0.73019875841069 32.065 > 2 21 S 0.14055091222306 0.41666666666667 0.73019875841069 32.065 > 2 22 S 0.64055091222306 0.41666666666667 0.73019875841069 32.065 > 2 23 S 0.14055091222306 0.75000000000000 0.73019875841069 32.065 > 2 24 S 0.64055091222306 0.75000000000000 0.73019875841069 32.065 > 2 25 S 0.35944908777694 0.25000000000000 0.26980124158931 32.065 > 3 26 S 0.85944908777694 0.25000000000000 0.26980124158931 32.065 > 3 27 S 0.35944908777694 0.58333333333333 0.26980124158931 32.065 > 3 28 S 0.85944908777694 0.58333333333333 0.26980124158931 32.065 > 3 29 S 0.35944908777694 0.91666666666667 0.26980124158931 32.065 > 3 30 S 0.85944908777694 0.91666666666667 0.26980124158931 32.065 > 3 31 S 0.35944908777694 0.25000000000000 0.76980124158931 32.065 > 3 32 S 0.85944908777694 0.25000000000000 0.76980124158931 32.065 > 3 33 S 0.35944908777694 0.58333333333333 0.76980124158931 32.065 > 3 34 S 0.85944908777694 0.58333333333333 0.76980124158931 32.065 > 3 35 S 0.35944908777694 0.91666666666667 0.76980124158931 32.065 > 3 36 S 0.85944908777694 0.91666666666667 0.76980124158931 32.065 > 3 37 S 0.10944908777694 0.25000000000000 0.48019875841069 32.065 > 4 38 S 0.60944908777694 0.25000000000000 0.48019875841069 32.065 > 4 39 S 0.10944908777694 0.58333333333333 0.48019875841069 32.065 > 4 40 S 0.60944908777694 0.58333333333333 0.48019875841069 32.065 > 4 41 S 0.10944908777694 0.91666666666667 0.48019875841069 32.065 > 4 42 S 0.60944908777694 0.91666666666667 0.48019875841069 32.065 > 4 43 S 0.10944908777694 0.25000000000000 0.98019875841069 32.065 > 4 44 S 0.60944908777694 0.25000000000000 0.98019875841069 32.065 > 4 45 S 0.10944908777694 0.58333333333333 0.98019875841069 32.065 > 4 46 S 0.60944908777694 0.58333333333333 0.98019875841069 32.065 > 4 47 S 0.10944908777694 0.91666666666667 0.98019875841069 32.065 > 4 48 S 0.60944908777694 0.91666666666667 0.98019875841069 32.065 > 4 *49 Cu 0.11999885999712 0.25000000000000 0.15483075469070 63.546 > 5 50 Cu 0.61999885999712 0.25000000000000 0.15483075469070 63.546 > 5 51 Cu 0.11999885999712 0.58333333333333 0.15483075469070 63.546 > 5 52 Cu 0.61999885999712 0.58333333333333 0.15483075469070 63.546 > 5 53 Cu 0.11999885999712 0.91666666666667 0.15483075469070 63.546 > 5 54 Cu 0.61999885999712 0.91666666666667 0.15483075469070 63.546 > 5 55 Cu 0.11999885999712 0.25000000000000 0.65483075469070 63.546 > 5 56 Cu 0.61999885999712 0.25000000000000 0.65483075469070 63.546 > 5 57 Cu 0.11999885999712 0.58333333333333 0.65483075469070 63.546 > 5 58 Cu 0.61999885999712 0.58333333333333 0.65483075469070 63.546 > 5 59 Cu 0.11999885999712 0.91666666666667 0.65483075469070 63.546 > 5 60 Cu 0.61999885999712 0.91666666666667 0.65483075469070 63.546 > 5 61 Cu 0.36999885999712 0.25000000000000 0.09516924530930 63.546 > 6 62 Cu 0.86999885999712 0.25000000000000 0.09516924530930 63.546 > 6 63 Cu 0.36999885999712 0.58333333333333 0.09516924530930 63.546 > 6 64 Cu 0.86999885999712 0.58333333333333 0.09516924530930 63.546 > 6 65 Cu 0.36999885999712 0.91666666666667 0.09516924530930 63.546 > 6 66 Cu 0.86999885999712 0.91666666666667 0.09516924530930 63.546 > 6 67 Cu 0.36999885999712 0.25000000000000 0.59516924530930 63.546 > 6 68 Cu 0.86999885999712 0.25000000000000 0.59516924530930 63.546 > 6 69 Cu 0.36999885999712 0.58333333333333 0.59516924530930 63.546 > 6 70 Cu 0.86999885999712 0.58333333333333 0.59516924530930 63.546 > 6 71 Cu 0.36999885999712 0.91666666666667 0.59516924530930 63.546 > 6 72 Cu 0.86999885999712 0.91666666666667 0.59516924530930 63.546 > 6 73 Cu 0.13000114000288 0.08333333333333 0.40483075469070 63.546 > 7 74 Cu 0.63000114000288 0.08333333333333 0.40483075469070 63.546 > 7 75 Cu 0.13000114000288 0.41666666666667 0.40483075469070 63.546 > 7 76 Cu 0.63000114000288 0.41666666666667 0.40483075469070 63.546 > 7 77 Cu 0.13000114000288 0.75000000000000 0.40483075469070 63.546 > 7 78 Cu 0.63000114000288 0.75000000000000 0.40483075469070 63.546 > 7 79 Cu 0.13000114000288 0.08333333333333 0.90483075469070 63.546 > 7 80 Cu 0.63000114000288 0.08333333333333 0.90483075469070 63.546 > 7 81 Cu 0.13000114000288 0.41666666666667 0.90483075469070 63.546 > 7 82 Cu 0.63000114000288 0.41666666666667 0.90483075469070 63.546 > 7 83 Cu 0.13000114000288 0.75000000000000 0.90483075469070 63.546 > 7 84 Cu 0.63000114000288 0.75000000000000 0.90483075469070 63.546 > 7 85 Cu 0.38000114000288 0.08333333333333 0.34516924530930 63.546 > 8 86 Cu 0.88000114000288 0.08333333333333 0.34516924530930 63.546 > 8 87 Cu 0.38000114000288 0.41666666666667 0.34516924530930 63.546 > 8 88 Cu 0.88000114000288 0.41666666666667 0.34516924530930 63.546 > 8 89 Cu 0.38000114000288 0.75000000000000 0.34516924530930 63.546 > 8 90 Cu 0.88000114000288 0.75000000000000 0.34516924530930 63.546 > 8 91 Cu 0.38000114000288 0.08333333333333 0.84516924530930 63.546 > 8 92 Cu 0.88000114000288 0.08333333333333 0.84516924530930 63.546 > 8 93 Cu 0.38000114000288 0.41666666666667 0.84516924530930 63.546 > 8 94 Cu 0.88000114000288 0.41666666666667 0.84516924530930 63.546 > 8 95 Cu 0.38000114000288 0.75000000000000 0.84516924530930 63.546 > 8 96 Cu 0.88000114000288 0.75000000000000 0.84516924530930 63.546 > 8 *97 Ag 0.49151338134110 0.08333333333333 0.16668192133304 107.868 > 9 98 Ag 0.99151338134110 0.08333333333333 0.16668192133304 107.868 > 9 99 Ag 0.49151338134110 0.41666666666667 0.16668192133304 107.868 > 9 100 Ag 0.99151338134110 0.41666666666667 0.16668192133304 107.868 > 9 101 Ag 0.49151338134110 0.75000000000000 0.16668192133304 107.868 > 9 102 Ag 0.99151338134110 0.75000000000000 0.16668192133304 107.868 > 9 103 Ag 0.49151338134110 0.08333333333333 0.66668192133304 107.868 > 9 104 Ag 0.99151338134110 0.08333333333333 0.66668192133304 107.868 > 9 105 Ag 0.49151338134110 0.41666666666667 0.66668192133304 107.868 > 9 106 Ag 0.99151338134110 0.41666666666667 0.66668192133304 107.868 > 9 107 Ag 0.49151338134110 0.75000000000000 0.66668192133304 107.868 > 9 108 Ag 0.99151338134110 0.75000000000000 0.66668192133304 107.868 > 9 109 Ag 0.24151338134110 0.08333333333333 0.08331807866696 107.868 > 10 110 Ag 0.74151338134110 0.08333333333333 0.08331807866696 107.868 > 10 111 Ag 0.24151338134110 0.41666666666667 0.08331807866696 107.868 > 10 112 Ag 0.74151338134110 0.41666666666667 0.08331807866696 107.868 > 10 113 Ag 0.24151338134110 0.75000000000000 0.08331807866696 107.868 > 10 114 Ag 0.74151338134110 0.75000000000000 0.08331807866696 107.868 > 10 115 Ag 0.24151338134110 0.08333333333333 0.58331807866696 107.868 > 10 116 Ag 0.74151338134110 0.08333333333333 0.58331807866696 107.868 > 10 117 Ag 0.24151338134110 0.41666666666667 0.58331807866696 107.868 > 10 118 Ag 0.74151338134110 0.41666666666667 0.58331807866696 107.868 > 10 119 Ag 0.24151338134110 0.75000000000000 0.58331807866696 107.868 > 10 120 Ag 0.74151338134110 0.75000000000000 0.58331807866696 107.868 > 10 121 Ag 0.25848661865890 0.25000000000000 0.41668192133304 107.868 > 11 122 Ag 0.75848661865890 0.25000000000000 0.41668192133304 107.868 > 11 123 Ag 0.25848661865890 0.58333333333333 0.41668192133304 107.868 > 11 124 Ag 0.75848661865890 0.58333333333333 0.41668192133304 107.868 > 11 125 Ag 0.25848661865890 0.91666666666667 0.41668192133304 107.868 > 11 126 Ag 0.75848661865890 0.91666666666667 0.41668192133304 107.868 > 11 127 Ag 0.25848661865890 0.25000000000000 0.91668192133304 107.868 > 11 128 Ag 0.75848661865890 0.25000000000000 0.91668192133304 107.868 > 11 129 Ag 0.25848661865890 0.58333333333333 0.91668192133304 107.868 > 11 130 Ag 0.75848661865890 0.58333333333333 0.91668192133304 107.868 > 11 131 Ag 0.25848661865890 0.91666666666667 0.91668192133304 107.868 > 11 132 Ag 0.75848661865890 0.91666666666667 0.91668192133304 107.868 > 11 133 Ag 0.00848661865890 0.25000000000000 0.33331807866696 107.868 > 12 134 Ag 0.50848661865890 0.25000000000000 0.33331807866696 107.868 > 12 135 Ag 0.00848661865890 0.58333333333333 0.33331807866696 107.868 > 12 136 Ag 0.50848661865890 0.58333333333333 0.33331807866696 107.868 > 12 137 Ag 0.00848661865890 0.91666666666667 0.33331807866696 107.868 > 12 138 Ag 0.50848661865890 0.91666666666667 0.33331807866696 107.868 > 12 139 Ag 0.00848661865890 0.25000000000000 0.83331807866696 107.868 > 12 140 Ag 0.50848661865890 0.25000000000000 0.83331807866696 107.868 > 12 141 Ag 0.00848661865890 0.58333333333333 0.83331807866696 107.868 > 12 142 Ag 0.50848661865890 0.58333333333333 0.83331807866696 107.868 > 12 143 Ag 0.00848661865890 0.91666666666667 0.83331807866696 107.868 > 12 144 Ag 0.50848661865890 0.91666666666667 0.83331807866696 107.868 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.8966213 0.0000000 0.0000000 0.0000000 16.1103784 0.0000000 0.0000000 0.0000000 14.8715063 -------------------------- Born effective charges -------------------------- 1 S -1.1763088 0.0000000 -0.0045998 0.0000000 -1.8105224 0.0000000 -0.2591149 0.0000000 -2.0972414 2 S -1.1763088 0.0000000 0.0045998 0.0000000 -1.8105224 0.0000000 0.2591149 0.0000000 -2.0972414 3 S -1.1763088 0.0000000 0.0045998 0.0000000 -1.8105224 0.0000000 0.2591149 0.0000000 -2.0972414 4 S -1.1763088 0.0000000 -0.0045998 0.0000000 -1.8105224 0.0000000 -0.2591149 0.0000000 -2.0972414 5 Cu 0.0738816 0.0000000 -0.0485723 0.0000000 1.1025326 0.0000000 0.3346139 0.0000000 1.0131825 6 Cu 0.0738816 0.0000000 0.0485723 0.0000000 1.1025326 0.0000000 -0.3346139 0.0000000 1.0131825 7 Cu 0.0738816 0.0000000 0.0485723 0.0000000 1.1025326 0.0000000 -0.3346139 0.0000000 1.0131825 8 Cu 0.0738816 0.0000000 -0.0485723 0.0000000 1.1025326 0.0000000 0.3346139 0.0000000 1.0131825 9 Ag 1.1024272 0.0000000 0.0014095 0.0000000 0.7079898 0.0000000 -0.5140609 0.0000000 1.0840589 10 Ag 1.1024272 0.0000000 -0.0014095 0.0000000 0.7079898 0.0000000 0.5140609 0.0000000 1.0840589 11 Ag 1.1024272 0.0000000 -0.0014095 0.0000000 0.7079898 0.0000000 0.5140609 0.0000000 1.0840589 12 Ag 1.1024272 0.0000000 0.0014095 0.0000000 0.7079898 0.0000000 -0.5140609 0.0000000 1.0840589 ---------------------------------------------------------------------------- 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: 1080 Number of blocks in projector: 1080 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 1.563 Solver_block: 200 / 240 - Time: 1.552 Solver_block: 240 / 240 - Time: 0.694 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.835 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 1080 Number of blocks in projector: 1080 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:38:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:38:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.815580790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.937034010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.508708230000000 Atomic positions (fractional): 1 S 0.78110182444612 0.25000000000000 0.03960248317861 32.065 2 S 0.28110182444612 0.25000000000000 0.46039751682139 32.065 3 S 0.71889817555388 0.75000000000000 0.53960248317862 32.065 4 S 0.21889817555388 0.75000000000000 0.96039751682138 32.065 5 Cu 0.23999771999425 0.75000000000000 0.30966150938140 63.546 6 Cu 0.73999771999425 0.75000000000000 0.19033849061860 63.546 7 Cu 0.26000228000575 0.25000000000000 0.80966150938140 63.546 8 Cu 0.76000228000575 0.25000000000000 0.69033849061860 63.546 9 Ag 0.98302676268221 0.25000000000000 0.33336384266607 107.868 10 Ag 0.48302676268221 0.25000000000000 0.16663615733393 107.868 11 Ag 0.51697323731779 0.75000000000000 0.83336384266607 107.868 12 Ag 0.01697323731779 0.75000000000000 0.66663615733393 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.631161580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.811102030000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.017416460000000 Atomic positions (fractional): 1 S 0.39055091222306 0.08333333333333 0.01980124158931 32.065 > 1 2 S 0.89055091222306 0.08333333333333 0.01980124158931 32.065 > 1 3 S 0.39055091222306 0.41666666666667 0.01980124158931 32.065 > 1 4 S 0.89055091222306 0.41666666666667 0.01980124158931 32.065 > 1 5 S 0.39055091222306 0.75000000000000 0.01980124158931 32.065 > 1 6 S 0.89055091222306 0.75000000000000 0.01980124158931 32.065 > 1 7 S 0.39055091222306 0.08333333333333 0.51980124158931 32.065 > 1 8 S 0.89055091222306 0.08333333333333 0.51980124158931 32.065 > 1 9 S 0.39055091222306 0.41666666666667 0.51980124158931 32.065 > 1 10 S 0.89055091222306 0.41666666666667 0.51980124158931 32.065 > 1 11 S 0.39055091222306 0.75000000000000 0.51980124158931 32.065 > 1 12 S 0.89055091222306 0.75000000000000 0.51980124158931 32.065 > 1 13 S 0.14055091222306 0.08333333333333 0.23019875841069 32.065 > 13 14 S 0.64055091222306 0.08333333333333 0.23019875841069 32.065 > 13 15 S 0.14055091222306 0.41666666666667 0.23019875841069 32.065 > 13 16 S 0.64055091222306 0.41666666666667 0.23019875841069 32.065 > 13 17 S 0.14055091222306 0.75000000000000 0.23019875841069 32.065 > 13 18 S 0.64055091222306 0.75000000000000 0.23019875841069 32.065 > 13 19 S 0.14055091222306 0.08333333333333 0.73019875841069 32.065 > 13 20 S 0.64055091222306 0.08333333333333 0.73019875841069 32.065 > 13 21 S 0.14055091222306 0.41666666666667 0.73019875841069 32.065 > 13 22 S 0.64055091222306 0.41666666666667 0.73019875841069 32.065 > 13 23 S 0.14055091222306 0.75000000000000 0.73019875841069 32.065 > 13 24 S 0.64055091222306 0.75000000000000 0.73019875841069 32.065 > 13 25 S 0.35944908777694 0.25000000000000 0.26980124158931 32.065 > 25 26 S 0.85944908777694 0.25000000000000 0.26980124158931 32.065 > 25 27 S 0.35944908777694 0.58333333333333 0.26980124158931 32.065 > 25 28 S 0.85944908777694 0.58333333333333 0.26980124158931 32.065 > 25 29 S 0.35944908777694 0.91666666666667 0.26980124158931 32.065 > 25 30 S 0.85944908777694 0.91666666666667 0.26980124158931 32.065 > 25 31 S 0.35944908777694 0.25000000000000 0.76980124158931 32.065 > 25 32 S 0.85944908777694 0.25000000000000 0.76980124158931 32.065 > 25 33 S 0.35944908777694 0.58333333333333 0.76980124158931 32.065 > 25 34 S 0.85944908777694 0.58333333333333 0.76980124158931 32.065 > 25 35 S 0.35944908777694 0.91666666666667 0.76980124158931 32.065 > 25 36 S 0.85944908777694 0.91666666666667 0.76980124158931 32.065 > 25 37 S 0.10944908777694 0.25000000000000 0.48019875841069 32.065 > 37 38 S 0.60944908777694 0.25000000000000 0.48019875841069 32.065 > 37 39 S 0.10944908777694 0.58333333333333 0.48019875841069 32.065 > 37 40 S 0.60944908777694 0.58333333333333 0.48019875841069 32.065 > 37 41 S 0.10944908777694 0.91666666666667 0.48019875841069 32.065 > 37 42 S 0.60944908777694 0.91666666666667 0.48019875841069 32.065 > 37 43 S 0.10944908777694 0.25000000000000 0.98019875841069 32.065 > 37 44 S 0.60944908777694 0.25000000000000 0.98019875841069 32.065 > 37 45 S 0.10944908777694 0.58333333333333 0.98019875841069 32.065 > 37 46 S 0.60944908777694 0.58333333333333 0.98019875841069 32.065 > 37 47 S 0.10944908777694 0.91666666666667 0.98019875841069 32.065 > 37 48 S 0.60944908777694 0.91666666666667 0.98019875841069 32.065 > 37 49 Cu 0.11999885999712 0.25000000000000 0.15483075469070 63.546 > 49 50 Cu 0.61999885999712 0.25000000000000 0.15483075469070 63.546 > 49 51 Cu 0.11999885999712 0.58333333333333 0.15483075469070 63.546 > 49 52 Cu 0.61999885999712 0.58333333333333 0.15483075469070 63.546 > 49 53 Cu 0.11999885999712 0.91666666666667 0.15483075469070 63.546 > 49 54 Cu 0.61999885999712 0.91666666666667 0.15483075469070 63.546 > 49 55 Cu 0.11999885999712 0.25000000000000 0.65483075469070 63.546 > 49 56 Cu 0.61999885999712 0.25000000000000 0.65483075469070 63.546 > 49 57 Cu 0.11999885999712 0.58333333333333 0.65483075469070 63.546 > 49 58 Cu 0.61999885999712 0.58333333333333 0.65483075469070 63.546 > 49 59 Cu 0.11999885999712 0.91666666666667 0.65483075469070 63.546 > 49 60 Cu 0.61999885999712 0.91666666666667 0.65483075469070 63.546 > 49 61 Cu 0.36999885999712 0.25000000000000 0.09516924530930 63.546 > 61 62 Cu 0.86999885999712 0.25000000000000 0.09516924530930 63.546 > 61 63 Cu 0.36999885999712 0.58333333333333 0.09516924530930 63.546 > 61 64 Cu 0.86999885999712 0.58333333333333 0.09516924530930 63.546 > 61 65 Cu 0.36999885999712 0.91666666666667 0.09516924530930 63.546 > 61 66 Cu 0.86999885999712 0.91666666666667 0.09516924530930 63.546 > 61 67 Cu 0.36999885999712 0.25000000000000 0.59516924530930 63.546 > 61 68 Cu 0.86999885999712 0.25000000000000 0.59516924530930 63.546 > 61 69 Cu 0.36999885999712 0.58333333333333 0.59516924530930 63.546 > 61 70 Cu 0.86999885999712 0.58333333333333 0.59516924530930 63.546 > 61 71 Cu 0.36999885999712 0.91666666666667 0.59516924530930 63.546 > 61 72 Cu 0.86999885999712 0.91666666666667 0.59516924530930 63.546 > 61 73 Cu 0.13000114000288 0.08333333333333 0.40483075469070 63.546 > 73 74 Cu 0.63000114000288 0.08333333333333 0.40483075469070 63.546 > 73 75 Cu 0.13000114000288 0.41666666666667 0.40483075469070 63.546 > 73 76 Cu 0.63000114000288 0.41666666666667 0.40483075469070 63.546 > 73 77 Cu 0.13000114000288 0.75000000000000 0.40483075469070 63.546 > 73 78 Cu 0.63000114000288 0.75000000000000 0.40483075469070 63.546 > 73 79 Cu 0.13000114000288 0.08333333333333 0.90483075469070 63.546 > 73 80 Cu 0.63000114000288 0.08333333333333 0.90483075469070 63.546 > 73 81 Cu 0.13000114000288 0.41666666666667 0.90483075469070 63.546 > 73 82 Cu 0.63000114000288 0.41666666666667 0.90483075469070 63.546 > 73 83 Cu 0.13000114000288 0.75000000000000 0.90483075469070 63.546 > 73 84 Cu 0.63000114000288 0.75000000000000 0.90483075469070 63.546 > 73 85 Cu 0.38000114000288 0.08333333333333 0.34516924530930 63.546 > 85 86 Cu 0.88000114000288 0.08333333333333 0.34516924530930 63.546 > 85 87 Cu 0.38000114000288 0.41666666666667 0.34516924530930 63.546 > 85 88 Cu 0.88000114000288 0.41666666666667 0.34516924530930 63.546 > 85 89 Cu 0.38000114000288 0.75000000000000 0.34516924530930 63.546 > 85 90 Cu 0.88000114000288 0.75000000000000 0.34516924530930 63.546 > 85 91 Cu 0.38000114000288 0.08333333333333 0.84516924530930 63.546 > 85 92 Cu 0.88000114000288 0.08333333333333 0.84516924530930 63.546 > 85 93 Cu 0.38000114000288 0.41666666666667 0.84516924530930 63.546 > 85 94 Cu 0.88000114000288 0.41666666666667 0.84516924530930 63.546 > 85 95 Cu 0.38000114000288 0.75000000000000 0.84516924530930 63.546 > 85 96 Cu 0.88000114000288 0.75000000000000 0.84516924530930 63.546 > 85 97 Ag 0.49151338134110 0.08333333333333 0.16668192133304 107.868 > 97 98 Ag 0.99151338134110 0.08333333333333 0.16668192133304 107.868 > 97 99 Ag 0.49151338134110 0.41666666666667 0.16668192133304 107.868 > 97 100 Ag 0.99151338134110 0.41666666666667 0.16668192133304 107.868 > 97 101 Ag 0.49151338134110 0.75000000000000 0.16668192133304 107.868 > 97 102 Ag 0.99151338134110 0.75000000000000 0.16668192133304 107.868 > 97 103 Ag 0.49151338134110 0.08333333333333 0.66668192133304 107.868 > 97 104 Ag 0.99151338134110 0.08333333333333 0.66668192133304 107.868 > 97 105 Ag 0.49151338134110 0.41666666666667 0.66668192133304 107.868 > 97 106 Ag 0.99151338134110 0.41666666666667 0.66668192133304 107.868 > 97 107 Ag 0.49151338134110 0.75000000000000 0.66668192133304 107.868 > 97 108 Ag 0.99151338134110 0.75000000000000 0.66668192133304 107.868 > 97 109 Ag 0.24151338134110 0.08333333333333 0.08331807866696 107.868 > 109 110 Ag 0.74151338134110 0.08333333333333 0.08331807866696 107.868 > 109 111 Ag 0.24151338134110 0.41666666666667 0.08331807866696 107.868 > 109 112 Ag 0.74151338134110 0.41666666666667 0.08331807866696 107.868 > 109 113 Ag 0.24151338134110 0.75000000000000 0.08331807866696 107.868 > 109 114 Ag 0.74151338134110 0.75000000000000 0.08331807866696 107.868 > 109 115 Ag 0.24151338134110 0.08333333333333 0.58331807866696 107.868 > 109 116 Ag 0.74151338134110 0.08333333333333 0.58331807866696 107.868 > 109 117 Ag 0.24151338134110 0.41666666666667 0.58331807866696 107.868 > 109 118 Ag 0.74151338134110 0.41666666666667 0.58331807866696 107.868 > 109 119 Ag 0.24151338134110 0.75000000000000 0.58331807866696 107.868 > 109 120 Ag 0.74151338134110 0.75000000000000 0.58331807866696 107.868 > 109 121 Ag 0.25848661865890 0.25000000000000 0.41668192133304 107.868 > 121 122 Ag 0.75848661865890 0.25000000000000 0.41668192133304 107.868 > 121 123 Ag 0.25848661865890 0.58333333333333 0.41668192133304 107.868 > 121 124 Ag 0.75848661865890 0.58333333333333 0.41668192133304 107.868 > 121 125 Ag 0.25848661865890 0.91666666666667 0.41668192133304 107.868 > 121 126 Ag 0.75848661865890 0.91666666666667 0.41668192133304 107.868 > 121 127 Ag 0.25848661865890 0.25000000000000 0.91668192133304 107.868 > 121 128 Ag 0.75848661865890 0.25000000000000 0.91668192133304 107.868 > 121 129 Ag 0.25848661865890 0.58333333333333 0.91668192133304 107.868 > 121 130 Ag 0.75848661865890 0.58333333333333 0.91668192133304 107.868 > 121 131 Ag 0.25848661865890 0.91666666666667 0.91668192133304 107.868 > 121 132 Ag 0.75848661865890 0.91666666666667 0.91668192133304 107.868 > 121 133 Ag 0.00848661865890 0.25000000000000 0.33331807866696 107.868 > 133 134 Ag 0.50848661865890 0.25000000000000 0.33331807866696 107.868 > 133 135 Ag 0.00848661865890 0.58333333333333 0.33331807866696 107.868 > 133 136 Ag 0.50848661865890 0.58333333333333 0.33331807866696 107.868 > 133 137 Ag 0.00848661865890 0.91666666666667 0.33331807866696 107.868 > 133 138 Ag 0.50848661865890 0.91666666666667 0.33331807866696 107.868 > 133 139 Ag 0.00848661865890 0.25000000000000 0.83331807866696 107.868 > 133 140 Ag 0.50848661865890 0.25000000000000 0.83331807866696 107.868 > 133 141 Ag 0.00848661865890 0.58333333333333 0.83331807866696 107.868 > 133 142 Ag 0.50848661865890 0.58333333333333 0.83331807866696 107.868 > 133 143 Ag 0.00848661865890 0.91666666666667 0.83331807866696 107.868 > 133 144 Ag 0.50848661865890 0.91666666666667 0.83331807866696 107.868 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.8966213 0.0000000 0.0000000 0.0000000 16.1103784 0.0000000 0.0000000 0.0000000 14.8715063 -------------------------- Born effective charges -------------------------- 1 S -1.1763088 0.0000000 -0.0045998 0.0000000 -1.8105224 0.0000000 -0.2591149 0.0000000 -2.0972414 2 S -1.1763088 0.0000000 0.0045998 0.0000000 -1.8105224 0.0000000 0.2591149 0.0000000 -2.0972414 3 S -1.1763088 0.0000000 0.0045998 0.0000000 -1.8105224 0.0000000 0.2591149 0.0000000 -2.0972414 4 S -1.1763088 0.0000000 -0.0045998 0.0000000 -1.8105224 0.0000000 -0.2591149 0.0000000 -2.0972414 5 Cu 0.0738816 0.0000000 -0.0485723 0.0000000 1.1025326 0.0000000 0.3346139 0.0000000 1.0131825 6 Cu 0.0738816 0.0000000 0.0485723 0.0000000 1.1025326 0.0000000 -0.3346139 0.0000000 1.0131825 7 Cu 0.0738816 0.0000000 0.0485723 0.0000000 1.1025326 0.0000000 -0.3346139 0.0000000 1.0131825 8 Cu 0.0738816 0.0000000 -0.0485723 0.0000000 1.1025326 0.0000000 0.3346139 0.0000000 1.0131825 9 Ag 1.1024272 0.0000000 0.0014095 0.0000000 0.7079898 0.0000000 -0.5140609 0.0000000 1.0840589 10 Ag 1.1024272 0.0000000 -0.0014095 0.0000000 0.7079898 0.0000000 0.5140609 0.0000000 1.0840589 11 Ag 1.1024272 0.0000000 -0.0014095 0.0000000 0.7079898 0.0000000 0.5140609 0.0000000 1.0840589 12 Ag 1.1024272 0.0000000 0.0014095 0.0000000 0.7079898 0.0000000 -0.5140609 0.0000000 1.0840589 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 20:38:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:38:53]------------------------- 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.815580790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.937034010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.508708230000000 Atomic positions (fractional): 1 S 0.78110182444612 0.25000000000000 0.03960248317861 32.065 2 S 0.28110182444612 0.25000000000000 0.46039751682139 32.065 3 S 0.71889817555388 0.75000000000000 0.53960248317862 32.065 4 S 0.21889817555388 0.75000000000000 0.96039751682138 32.065 5 Cu 0.23999771999425 0.75000000000000 0.30966150938140 63.546 6 Cu 0.73999771999425 0.75000000000000 0.19033849061860 63.546 7 Cu 0.26000228000575 0.25000000000000 0.80966150938140 63.546 8 Cu 0.76000228000575 0.25000000000000 0.69033849061860 63.546 9 Ag 0.98302676268221 0.25000000000000 0.33336384266607 107.868 10 Ag 0.48302676268221 0.25000000000000 0.16663615733393 107.868 11 Ag 0.51697323731779 0.75000000000000 0.83336384266607 107.868 12 Ag 0.01697323731779 0.75000000000000 0.66663615733393 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.631161580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.811102030000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.017416460000000 Atomic positions (fractional): 1 S 0.39055091222306 0.08333333333333 0.01980124158931 32.065 > 1 2 S 0.89055091222306 0.08333333333333 0.01980124158931 32.065 > 1 3 S 0.39055091222306 0.41666666666667 0.01980124158931 32.065 > 1 4 S 0.89055091222306 0.41666666666667 0.01980124158931 32.065 > 1 5 S 0.39055091222306 0.75000000000000 0.01980124158931 32.065 > 1 6 S 0.89055091222306 0.75000000000000 0.01980124158931 32.065 > 1 7 S 0.39055091222306 0.08333333333333 0.51980124158931 32.065 > 1 8 S 0.89055091222306 0.08333333333333 0.51980124158931 32.065 > 1 9 S 0.39055091222306 0.41666666666667 0.51980124158931 32.065 > 1 10 S 0.89055091222306 0.41666666666667 0.51980124158931 32.065 > 1 11 S 0.39055091222306 0.75000000000000 0.51980124158931 32.065 > 1 12 S 0.89055091222306 0.75000000000000 0.51980124158931 32.065 > 1 13 S 0.14055091222306 0.08333333333333 0.23019875841069 32.065 > 13 14 S 0.64055091222306 0.08333333333333 0.23019875841069 32.065 > 13 15 S 0.14055091222306 0.41666666666667 0.23019875841069 32.065 > 13 16 S 0.64055091222306 0.41666666666667 0.23019875841069 32.065 > 13 17 S 0.14055091222306 0.75000000000000 0.23019875841069 32.065 > 13 18 S 0.64055091222306 0.75000000000000 0.23019875841069 32.065 > 13 19 S 0.14055091222306 0.08333333333333 0.73019875841069 32.065 > 13 20 S 0.64055091222306 0.08333333333333 0.73019875841069 32.065 > 13 21 S 0.14055091222306 0.41666666666667 0.73019875841069 32.065 > 13 22 S 0.64055091222306 0.41666666666667 0.73019875841069 32.065 > 13 23 S 0.14055091222306 0.75000000000000 0.73019875841069 32.065 > 13 24 S 0.64055091222306 0.75000000000000 0.73019875841069 32.065 > 13 25 S 0.35944908777694 0.25000000000000 0.26980124158931 32.065 > 25 26 S 0.85944908777694 0.25000000000000 0.26980124158931 32.065 > 25 27 S 0.35944908777694 0.58333333333333 0.26980124158931 32.065 > 25 28 S 0.85944908777694 0.58333333333333 0.26980124158931 32.065 > 25 29 S 0.35944908777694 0.91666666666667 0.26980124158931 32.065 > 25 30 S 0.85944908777694 0.91666666666667 0.26980124158931 32.065 > 25 31 S 0.35944908777694 0.25000000000000 0.76980124158931 32.065 > 25 32 S 0.85944908777694 0.25000000000000 0.76980124158931 32.065 > 25 33 S 0.35944908777694 0.58333333333333 0.76980124158931 32.065 > 25 34 S 0.85944908777694 0.58333333333333 0.76980124158931 32.065 > 25 35 S 0.35944908777694 0.91666666666667 0.76980124158931 32.065 > 25 36 S 0.85944908777694 0.91666666666667 0.76980124158931 32.065 > 25 37 S 0.10944908777694 0.25000000000000 0.48019875841069 32.065 > 37 38 S 0.60944908777694 0.25000000000000 0.48019875841069 32.065 > 37 39 S 0.10944908777694 0.58333333333333 0.48019875841069 32.065 > 37 40 S 0.60944908777694 0.58333333333333 0.48019875841069 32.065 > 37 41 S 0.10944908777694 0.91666666666667 0.48019875841069 32.065 > 37 42 S 0.60944908777694 0.91666666666667 0.48019875841069 32.065 > 37 43 S 0.10944908777694 0.25000000000000 0.98019875841069 32.065 > 37 44 S 0.60944908777694 0.25000000000000 0.98019875841069 32.065 > 37 45 S 0.10944908777694 0.58333333333333 0.98019875841069 32.065 > 37 46 S 0.60944908777694 0.58333333333333 0.98019875841069 32.065 > 37 47 S 0.10944908777694 0.91666666666667 0.98019875841069 32.065 > 37 48 S 0.60944908777694 0.91666666666667 0.98019875841069 32.065 > 37 49 Cu 0.11999885999712 0.25000000000000 0.15483075469070 63.546 > 49 50 Cu 0.61999885999712 0.25000000000000 0.15483075469070 63.546 > 49 51 Cu 0.11999885999712 0.58333333333333 0.15483075469070 63.546 > 49 52 Cu 0.61999885999712 0.58333333333333 0.15483075469070 63.546 > 49 53 Cu 0.11999885999712 0.91666666666667 0.15483075469070 63.546 > 49 54 Cu 0.61999885999712 0.91666666666667 0.15483075469070 63.546 > 49 55 Cu 0.11999885999712 0.25000000000000 0.65483075469070 63.546 > 49 56 Cu 0.61999885999712 0.25000000000000 0.65483075469070 63.546 > 49 57 Cu 0.11999885999712 0.58333333333333 0.65483075469070 63.546 > 49 58 Cu 0.61999885999712 0.58333333333333 0.65483075469070 63.546 > 49 59 Cu 0.11999885999712 0.91666666666667 0.65483075469070 63.546 > 49 60 Cu 0.61999885999712 0.91666666666667 0.65483075469070 63.546 > 49 61 Cu 0.36999885999712 0.25000000000000 0.09516924530930 63.546 > 61 62 Cu 0.86999885999712 0.25000000000000 0.09516924530930 63.546 > 61 63 Cu 0.36999885999712 0.58333333333333 0.09516924530930 63.546 > 61 64 Cu 0.86999885999712 0.58333333333333 0.09516924530930 63.546 > 61 65 Cu 0.36999885999712 0.91666666666667 0.09516924530930 63.546 > 61 66 Cu 0.86999885999712 0.91666666666667 0.09516924530930 63.546 > 61 67 Cu 0.36999885999712 0.25000000000000 0.59516924530930 63.546 > 61 68 Cu 0.86999885999712 0.25000000000000 0.59516924530930 63.546 > 61 69 Cu 0.36999885999712 0.58333333333333 0.59516924530930 63.546 > 61 70 Cu 0.86999885999712 0.58333333333333 0.59516924530930 63.546 > 61 71 Cu 0.36999885999712 0.91666666666667 0.59516924530930 63.546 > 61 72 Cu 0.86999885999712 0.91666666666667 0.59516924530930 63.546 > 61 73 Cu 0.13000114000288 0.08333333333333 0.40483075469070 63.546 > 73 74 Cu 0.63000114000288 0.08333333333333 0.40483075469070 63.546 > 73 75 Cu 0.13000114000288 0.41666666666667 0.40483075469070 63.546 > 73 76 Cu 0.63000114000288 0.41666666666667 0.40483075469070 63.546 > 73 77 Cu 0.13000114000288 0.75000000000000 0.40483075469070 63.546 > 73 78 Cu 0.63000114000288 0.75000000000000 0.40483075469070 63.546 > 73 79 Cu 0.13000114000288 0.08333333333333 0.90483075469070 63.546 > 73 80 Cu 0.63000114000288 0.08333333333333 0.90483075469070 63.546 > 73 81 Cu 0.13000114000288 0.41666666666667 0.90483075469070 63.546 > 73 82 Cu 0.63000114000288 0.41666666666667 0.90483075469070 63.546 > 73 83 Cu 0.13000114000288 0.75000000000000 0.90483075469070 63.546 > 73 84 Cu 0.63000114000288 0.75000000000000 0.90483075469070 63.546 > 73 85 Cu 0.38000114000288 0.08333333333333 0.34516924530930 63.546 > 85 86 Cu 0.88000114000288 0.08333333333333 0.34516924530930 63.546 > 85 87 Cu 0.38000114000288 0.41666666666667 0.34516924530930 63.546 > 85 88 Cu 0.88000114000288 0.41666666666667 0.34516924530930 63.546 > 85 89 Cu 0.38000114000288 0.75000000000000 0.34516924530930 63.546 > 85 90 Cu 0.88000114000288 0.75000000000000 0.34516924530930 63.546 > 85 91 Cu 0.38000114000288 0.08333333333333 0.84516924530930 63.546 > 85 92 Cu 0.88000114000288 0.08333333333333 0.84516924530930 63.546 > 85 93 Cu 0.38000114000288 0.41666666666667 0.84516924530930 63.546 > 85 94 Cu 0.88000114000288 0.41666666666667 0.84516924530930 63.546 > 85 95 Cu 0.38000114000288 0.75000000000000 0.84516924530930 63.546 > 85 96 Cu 0.88000114000288 0.75000000000000 0.84516924530930 63.546 > 85 97 Ag 0.49151338134110 0.08333333333333 0.16668192133304 107.868 > 97 98 Ag 0.99151338134110 0.08333333333333 0.16668192133304 107.868 > 97 99 Ag 0.49151338134110 0.41666666666667 0.16668192133304 107.868 > 97 100 Ag 0.99151338134110 0.41666666666667 0.16668192133304 107.868 > 97 101 Ag 0.49151338134110 0.75000000000000 0.16668192133304 107.868 > 97 102 Ag 0.99151338134110 0.75000000000000 0.16668192133304 107.868 > 97 103 Ag 0.49151338134110 0.08333333333333 0.66668192133304 107.868 > 97 104 Ag 0.99151338134110 0.08333333333333 0.66668192133304 107.868 > 97 105 Ag 0.49151338134110 0.41666666666667 0.66668192133304 107.868 > 97 106 Ag 0.99151338134110 0.41666666666667 0.66668192133304 107.868 > 97 107 Ag 0.49151338134110 0.75000000000000 0.66668192133304 107.868 > 97 108 Ag 0.99151338134110 0.75000000000000 0.66668192133304 107.868 > 97 109 Ag 0.24151338134110 0.08333333333333 0.08331807866696 107.868 > 109 110 Ag 0.74151338134110 0.08333333333333 0.08331807866696 107.868 > 109 111 Ag 0.24151338134110 0.41666666666667 0.08331807866696 107.868 > 109 112 Ag 0.74151338134110 0.41666666666667 0.08331807866696 107.868 > 109 113 Ag 0.24151338134110 0.75000000000000 0.08331807866696 107.868 > 109 114 Ag 0.74151338134110 0.75000000000000 0.08331807866696 107.868 > 109 115 Ag 0.24151338134110 0.08333333333333 0.58331807866696 107.868 > 109 116 Ag 0.74151338134110 0.08333333333333 0.58331807866696 107.868 > 109 117 Ag 0.24151338134110 0.41666666666667 0.58331807866696 107.868 > 109 118 Ag 0.74151338134110 0.41666666666667 0.58331807866696 107.868 > 109 119 Ag 0.24151338134110 0.75000000000000 0.58331807866696 107.868 > 109 120 Ag 0.74151338134110 0.75000000000000 0.58331807866696 107.868 > 109 121 Ag 0.25848661865890 0.25000000000000 0.41668192133304 107.868 > 121 122 Ag 0.75848661865890 0.25000000000000 0.41668192133304 107.868 > 121 123 Ag 0.25848661865890 0.58333333333333 0.41668192133304 107.868 > 121 124 Ag 0.75848661865890 0.58333333333333 0.41668192133304 107.868 > 121 125 Ag 0.25848661865890 0.91666666666667 0.41668192133304 107.868 > 121 126 Ag 0.75848661865890 0.91666666666667 0.41668192133304 107.868 > 121 127 Ag 0.25848661865890 0.25000000000000 0.91668192133304 107.868 > 121 128 Ag 0.75848661865890 0.25000000000000 0.91668192133304 107.868 > 121 129 Ag 0.25848661865890 0.58333333333333 0.91668192133304 107.868 > 121 130 Ag 0.75848661865890 0.58333333333333 0.91668192133304 107.868 > 121 131 Ag 0.25848661865890 0.91666666666667 0.91668192133304 107.868 > 121 132 Ag 0.75848661865890 0.91666666666667 0.91668192133304 107.868 > 121 133 Ag 0.00848661865890 0.25000000000000 0.33331807866696 107.868 > 133 134 Ag 0.50848661865890 0.25000000000000 0.33331807866696 107.868 > 133 135 Ag 0.00848661865890 0.58333333333333 0.33331807866696 107.868 > 133 136 Ag 0.50848661865890 0.58333333333333 0.33331807866696 107.868 > 133 137 Ag 0.00848661865890 0.91666666666667 0.33331807866696 107.868 > 133 138 Ag 0.50848661865890 0.91666666666667 0.33331807866696 107.868 > 133 139 Ag 0.00848661865890 0.25000000000000 0.83331807866696 107.868 > 133 140 Ag 0.50848661865890 0.25000000000000 0.83331807866696 107.868 > 133 141 Ag 0.00848661865890 0.58333333333333 0.83331807866696 107.868 > 133 142 Ag 0.50848661865890 0.58333333333333 0.83331807866696 107.868 > 133 143 Ag 0.00848661865890 0.91666666666667 0.83331807866696 107.868 > 133 144 Ag 0.50848661865890 0.91666666666667 0.83331807866696 107.868 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.8966213 0.0000000 0.0000000 0.0000000 16.1103784 0.0000000 0.0000000 0.0000000 14.8715063 -------------------------- Born effective charges -------------------------- 1 S -1.1763088 0.0000000 -0.0045998 0.0000000 -1.8105224 0.0000000 -0.2591149 0.0000000 -2.0972414 2 S -1.1763088 0.0000000 0.0045998 0.0000000 -1.8105224 0.0000000 0.2591149 0.0000000 -2.0972414 3 S -1.1763088 0.0000000 0.0045998 0.0000000 -1.8105224 0.0000000 0.2591149 0.0000000 -2.0972414 4 S -1.1763088 0.0000000 -0.0045998 0.0000000 -1.8105224 0.0000000 -0.2591149 0.0000000 -2.0972414 5 Cu 0.0738816 0.0000000 -0.0485723 0.0000000 1.1025326 0.0000000 0.3346139 0.0000000 1.0131825 6 Cu 0.0738816 0.0000000 0.0485723 0.0000000 1.1025326 0.0000000 -0.3346139 0.0000000 1.0131825 7 Cu 0.0738816 0.0000000 0.0485723 0.0000000 1.1025326 0.0000000 -0.3346139 0.0000000 1.0131825 8 Cu 0.0738816 0.0000000 -0.0485723 0.0000000 1.1025326 0.0000000 0.3346139 0.0000000 1.0131825 9 Ag 1.1024272 0.0000000 0.0014095 0.0000000 0.7079898 0.0000000 -0.5140609 0.0000000 1.0840589 10 Ag 1.1024272 0.0000000 -0.0014095 0.0000000 0.7079898 0.0000000 0.5140609 0.0000000 1.0840589 11 Ag 1.1024272 0.0000000 -0.0014095 0.0000000 0.7079898 0.0000000 0.5140609 0.0000000 1.0840589 12 Ag 1.1024272 0.0000000 0.0014095 0.0000000 0.7079898 0.0000000 -0.5140609 0.0000000 1.0840589 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 13 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.71, Number of G-points: 307, Lambda: 0.28 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.854 ( 0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 0.000) 0.000 1.421 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 1.779 ( 0.000 0.000 0.000) 0.000 1.925 ( 0.000 0.000 0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 6.429 ( 0.000 0.000 0.000) 0.000 7.791 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 8.274 ( 0.000 0.000 0.000) 0.000 8.291 ( 0.000 0.000 0.000) 0.000 9.026 ( 0.000 0.000 0.000) 0.000 9.165 ( 0.000 0.000 0.000) 0.000 9.895 ( 0.000 0.000 0.000) 0.000 10.072 ( 0.000 0.000 0.000) 0.000 10.391 ( 0.000 0.000 0.000) 0.000 10.516 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( 13.877 0.000 0.000) 13.877 0.309 ( 13.676 0.000 0.000) 13.676 0.624 ( 26.565 0.000 0.000) 26.565 0.851 ( -0.373 0.000 0.000) 0.373 1.205 ( -6.571 0.000 0.000) 6.571 1.435 ( 1.291 0.000 0.000) 1.291 1.485 ( -1.218 0.000 0.000) 1.218 1.733 ( -3.770 0.000 0.000) 3.770 1.755 ( 3.813 0.000 0.000) 3.813 2.032 ( 8.952 0.000 0.000) 8.952 2.073 ( 2.146 0.000 0.000) 2.146 2.106 ( 0.654 0.000 0.000) 0.654 2.158 ( -2.227 0.000 0.000) 2.227 2.261 ( 0.668 0.000 0.000) 0.668 2.363 ( -0.926 0.000 0.000) 0.926 2.546 ( 2.745 0.000 0.000) 2.745 2.653 ( -1.875 0.000 0.000) 1.875 2.744 ( 2.528 0.000 0.000) 2.528 3.285 ( -2.969 0.000 0.000) 2.969 3.508 ( 4.516 0.000 0.000) 4.516 3.760 ( -11.353 0.000 0.000) 11.353 4.226 ( -3.232 0.000 0.000) 3.232 4.563 ( -0.070 0.000 0.000) 0.070 4.597 ( -2.756 0.000 0.000) 2.756 6.598 ( 14.606 0.000 0.000) 14.606 7.771 ( -1.458 0.000 0.000) 1.458 7.840 ( -3.395 0.000 0.000) 3.395 8.028 ( -7.415 0.000 0.000) 7.415 8.314 ( 1.868 0.000 0.000) 1.868 8.321 ( 2.702 0.000 0.000) 2.702 9.039 ( 1.174 0.000 0.000) 1.174 9.159 ( -0.533 0.000 0.000) 0.533 9.910 ( 1.401 0.000 0.000) 1.401 10.064 ( -0.785 0.000 0.000) 0.785 10.402 ( 0.758 0.000 0.000) 0.758 10.509 ( -0.716 0.000 0.000) 0.716 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 10.370 0.000 0.000) 10.370 0.585 ( 12.220 0.000 0.000) 12.220 0.827 ( -2.221 0.000 0.000) 2.221 1.017 ( -4.536 0.000 0.000) 4.536 1.107 ( 12.022 0.000 0.000) 12.022 1.442 ( -3.068 0.000 0.000) 3.068 1.476 ( 2.636 0.000 0.000) 2.636 1.640 ( -4.623 0.000 0.000) 4.623 1.864 ( 5.928 0.000 0.000) 5.928 2.090 ( -4.052 0.000 0.000) 4.052 2.115 ( 1.495 0.000 0.000) 1.495 2.123 ( 0.735 0.000 0.000) 0.735 2.259 ( 11.347 0.000 0.000) 11.347 2.281 ( 1.108 0.000 0.000) 1.108 2.337 ( -1.392 0.000 0.000) 1.392 2.598 ( -3.732 0.000 0.000) 3.732 2.643 ( 6.163 0.000 0.000) 6.163 2.790 ( 1.239 0.000 0.000) 1.239 3.236 ( -1.006 0.000 0.000) 1.006 3.490 ( -12.548 0.000 0.000) 12.548 3.631 ( 7.204 0.000 0.000) 7.204 4.071 ( -10.664 0.000 0.000) 10.664 4.560 ( -0.428 0.000 0.000) 0.428 4.560 ( -0.360 0.000 0.000) 0.360 6.981 ( 19.724 0.000 0.000) 19.724 7.698 ( -10.819 0.000 0.000) 10.819 7.751 ( 0.072 0.000 0.000) 0.072 7.874 ( -5.890 0.000 0.000) 5.890 8.354 ( 1.565 0.000 0.000) 1.565 8.364 ( 1.225 0.000 0.000) 1.225 9.072 ( 1.798 0.000 0.000) 1.798 9.141 ( -1.156 0.000 0.000) 1.156 9.950 ( 2.195 0.000 0.000) 2.195 10.039 ( -1.579 0.000 0.000) 1.579 10.425 ( 1.333 0.000 0.000) 1.333 10.487 ( -1.284 0.000 0.000) 1.284 ======================= Grid point 3 (4/140) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -5.954 0.000 0.000) 5.954 0.743 ( 5.954 0.000 0.000) 5.954 0.825 ( -10.322 0.000 0.000) 10.322 0.825 ( 10.322 0.000 0.000) 10.322 1.338 ( -7.278 0.000 0.000) 7.278 1.338 ( 7.278 0.000 0.000) 7.278 1.547 ( -3.948 0.000 0.000) 3.948 1.547 ( 3.948 0.000 0.000) 3.948 1.988 ( -5.407 0.000 0.000) 5.407 1.988 ( 5.407 0.000 0.000) 5.407 2.131 ( -0.072 0.000 0.000) 0.072 2.131 ( 0.072 0.000 0.000) 0.072 2.307 ( -1.342 0.000 0.000) 1.342 2.307 ( 1.342 0.000 0.000) 1.342 2.474 ( -8.130 0.000 0.000) 8.130 2.474 ( 8.130 0.000 0.000) 8.130 2.767 ( -3.962 0.000 0.000) 3.962 2.767 ( 3.962 0.000 0.000) 3.962 3.280 ( -6.050 0.000 0.000) 6.050 3.280 ( 6.050 0.000 0.000) 6.050 3.826 ( -11.054 0.000 0.000) 11.054 3.826 ( 11.054 0.000 0.000) 11.054 4.557 ( -0.115 0.000 0.000) 0.115 4.557 ( 0.115 0.000 0.000) 0.115 7.388 ( -17.522 0.000 0.000) 17.522 7.388 ( 17.522 0.000 0.000) 17.522 7.783 ( -2.859 0.000 0.000) 2.859 7.783 ( 2.859 0.000 0.000) 2.859 8.374 ( -0.244 0.000 0.000) 0.244 8.374 ( 0.244 0.000 0.000) 0.244 9.110 ( -1.705 0.000 0.000) 1.705 9.110 ( 1.705 0.000 0.000) 1.705 9.998 ( -2.175 0.000 0.000) 2.175 9.998 ( 2.175 0.000 0.000) 2.175 10.456 ( -1.529 0.000 0.000) 1.529 10.456 ( 1.529 0.000 0.000) 1.529 ======================= Grid point 7 (5/140) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.254 ( 0.000 14.945 0.000) 14.945 0.329 ( 0.000 16.564 0.000) 16.564 0.821 ( 0.000 36.011 0.000) 36.011 1.018 ( 0.000 11.812 0.000) 11.812 1.193 ( 0.000 -0.283 0.000) 0.283 1.383 ( 0.000 -4.821 0.000) 4.821 1.700 ( 0.000 23.433 0.000) 23.433 1.706 ( 0.000 0.054 0.000) 0.054 1.920 ( 0.000 -0.043 0.000) 0.043 2.034 ( 0.000 0.906 0.000) 0.906 2.094 ( 0.000 16.894 0.000) 16.894 2.275 ( 0.000 2.707 0.000) 2.707 2.277 ( 0.000 7.873 0.000) 7.873 2.361 ( 0.000 6.383 0.000) 6.383 2.365 ( 0.000 8.566 0.000) 8.566 2.551 ( 0.000 5.526 0.000) 5.526 2.721 ( 0.000 2.962 0.000) 2.962 2.762 ( 0.000 5.861 0.000) 5.861 3.323 ( 0.000 -0.578 0.000) 0.578 3.428 ( 0.000 -1.989 0.000) 1.989 3.909 ( 0.000 1.081 0.000) 1.081 4.241 ( 0.000 -0.212 0.000) 0.212 4.569 ( 0.000 1.512 0.000) 1.512 4.646 ( 0.000 0.945 0.000) 0.945 6.434 ( 0.000 0.561 0.000) 0.561 7.761 ( 0.000 -2.938 0.000) 2.938 7.870 ( 0.000 -0.393 0.000) 0.393 7.877 ( 0.000 0.151 0.000) 0.151 8.321 ( 0.000 5.126 0.000) 5.126 8.357 ( 0.000 6.772 0.000) 6.772 9.224 ( 0.000 5.799 0.000) 5.799 9.400 ( 0.000 3.609 0.000) 3.609 9.848 ( 0.000 -4.253 0.000) 4.253 9.981 ( 0.000 -7.446 0.000) 7.446 10.468 ( 0.000 6.039 0.000) 6.039 10.559 ( 0.000 3.821 0.000) 3.821 ======================= Grid point 8 (6/140) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 8.495 11.202 0.000) 14.059 0.579 ( 17.340 8.094 0.000) 19.136 0.907 ( 8.498 28.134 0.000) 29.389 1.014 ( -0.426 11.652 0.000) 11.660 1.147 ( -4.493 -2.085 0.000) 4.953 1.382 ( -0.156 -3.832 0.000) 3.835 1.710 ( 1.338 16.615 0.000) 16.669 1.759 ( 4.174 7.062 0.000) 8.203 1.982 ( -3.606 7.679 0.000) 8.484 2.019 ( 8.153 -0.611 0.000) 8.176 2.115 ( 0.473 10.967 0.000) 10.977 2.270 ( -0.385 7.019 0.000) 7.030 2.282 ( 0.694 2.643 0.000) 2.732 2.320 ( -2.156 13.830 0.000) 13.997 2.354 ( -0.641 6.861 0.000) 6.891 2.575 ( 2.808 4.644 0.000) 5.427 2.689 ( -2.235 3.430 0.000) 4.094 2.796 ( 2.151 4.828 0.000) 5.286 3.280 ( -2.769 -0.490 0.000) 2.812 3.489 ( 4.658 -1.784 0.000) 4.988 3.769 ( -11.309 1.164 0.000) 11.368 4.220 ( -3.559 -0.659 0.000) 3.619 4.572 ( 0.091 1.359 0.000) 1.362 4.608 ( -2.544 1.267 0.000) 2.842 6.599 ( 14.242 0.117 0.000) 14.243 7.752 ( -0.616 -2.016 0.000) 2.108 7.838 ( -4.043 -0.560 0.000) 4.081 7.911 ( 0.285 -4.891 0.000) 4.900 8.324 ( 0.929 4.194 0.000) 4.296 8.370 ( 1.016 5.913 0.000) 6.000 9.220 ( -0.311 5.978 0.000) 5.986 9.282 ( -6.135 11.727 0.000) 13.235 9.862 ( 1.199 -4.442 0.000) 4.601 9.979 ( -0.386 -7.160 0.000) 7.171 10.473 ( 0.477 5.773 0.000) 5.793 10.552 ( -0.617 3.891 0.000) 3.940 ======================= Grid point 9 (7/140) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 9.697 5.183 0.000) 10.995 0.825 ( 7.134 14.440 0.000) 16.106 0.994 ( -1.600 11.862 0.000) 11.970 1.008 ( -6.978 -0.192 0.000) 6.981 1.155 ( 10.628 8.506 0.000) 13.613 1.371 ( -1.128 -1.364 0.000) 1.770 1.752 ( 2.569 16.914 0.000) 17.109 1.875 ( 6.269 7.226 0.000) 9.566 1.900 ( -3.974 11.808 0.000) 12.459 2.089 ( -2.892 9.056 0.000) 9.507 2.202 ( 6.646 -1.318 0.000) 6.775 2.269 ( 0.146 4.276 0.000) 4.278 2.297 ( 0.368 12.172 0.000) 12.177 2.331 ( 4.685 4.288 0.000) 6.351 2.336 ( -1.054 8.923 0.000) 8.985 2.623 ( -4.357 2.540 0.000) 5.043 2.677 ( 6.509 4.352 0.000) 7.829 2.833 ( 0.938 4.206 0.000) 4.309 3.236 ( -0.761 0.063 0.000) 0.764 3.499 ( -12.648 1.148 0.000) 12.700 3.615 ( 7.374 -1.497 0.000) 7.524 4.060 ( -10.760 -1.151 0.000) 10.821 4.572 ( -0.064 1.439 0.000) 1.441 4.574 ( -0.631 1.568 0.000) 1.690 6.973 ( 19.314 -0.765 0.000) 19.329 7.680 ( -11.146 -1.785 0.000) 11.288 7.750 ( 0.739 -0.435 0.000) 0.857 7.861 ( -3.644 -1.075 0.000) 3.799 8.359 ( 1.846 2.109 0.000) 2.803 8.389 ( 0.570 4.206 0.000) 4.244 9.207 ( -1.357 10.585 0.000) 10.671 9.211 ( -0.545 6.643 0.000) 6.666 9.895 ( 1.816 -4.964 0.000) 5.286 9.963 ( -1.069 -6.488 0.000) 6.575 10.488 ( 0.880 5.239 0.000) 5.312 10.534 ( -1.042 4.140 0.000) 4.269 ======================= Grid point 10 (8/140) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -8.592 1.308 0.000) 8.691 0.835 ( 8.592 1.308 0.000) 8.691 0.939 ( -3.600 13.574 0.000) 14.044 0.939 ( 3.600 13.574 0.000) 14.044 1.317 ( -4.508 1.956 0.000) 4.914 1.317 ( 4.508 1.956 0.000) 4.914 1.818 ( -3.577 14.894 0.000) 15.318 1.818 ( 3.577 14.894 0.000) 15.318 2.001 ( -5.175 8.174 0.000) 9.674 2.001 ( 5.175 8.174 0.000) 9.674 2.264 ( -0.847 0.971 0.000) 1.289 2.264 ( 0.847 0.971 0.000) 1.289 2.313 ( -1.010 12.054 0.000) 12.096 2.313 ( 1.010 12.054 0.000) 12.096 2.492 ( -7.903 1.564 0.000) 8.056 2.492 ( 7.903 1.564 0.000) 8.056 2.807 ( -4.108 4.156 0.000) 5.844 2.807 ( 4.108 4.156 0.000) 5.844 3.285 ( -6.302 0.722 0.000) 6.343 3.285 ( 6.302 0.722 0.000) 6.343 3.813 ( -11.121 -1.269 0.000) 11.193 3.813 ( 11.121 -1.269 0.000) 11.193 4.570 ( -0.068 1.537 0.000) 1.538 4.570 ( 0.068 1.537 0.000) 1.538 7.372 ( -17.233 -1.520 0.000) 17.300 7.372 ( 17.233 -1.520 0.000) 17.300 7.789 ( -2.803 0.257 0.000) 2.815 7.789 ( 2.803 0.257 0.000) 2.815 8.388 ( -0.728 2.648 0.000) 2.747 8.388 ( 0.728 2.648 0.000) 2.747 9.200 ( -0.325 8.103 0.000) 8.110 9.200 ( 0.325 8.103 0.000) 8.110 9.934 ( -1.676 -5.703 0.000) 5.944 9.934 ( 1.676 -5.703 0.000) 5.944 10.510 ( -1.128 4.617 0.000) 4.753 10.510 ( 1.128 4.617 0.000) 4.753 ======================= Grid point 14 (9/140) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 0.000 16.016 0.000) 16.016 0.629 ( 0.000 13.635 0.000) 13.635 1.164 ( 0.000 2.431 0.000) 2.431 1.188 ( 0.000 -0.171 0.000) 0.171 1.289 ( 0.000 10.924 0.000) 10.924 1.353 ( 0.000 1.392 0.000) 1.392 1.761 ( 0.000 5.439 0.000) 5.439 1.947 ( 0.000 3.704 0.000) 3.704 2.079 ( 0.000 9.944 0.000) 9.944 2.085 ( 0.000 2.985 0.000) 2.985 2.098 ( 0.000 -6.500 0.000) 6.500 2.435 ( 0.000 15.555 0.000) 15.555 2.439 ( 0.000 0.109 0.000) 0.109 2.446 ( 0.000 8.486 0.000) 8.486 2.808 ( 0.000 5.470 0.000) 5.470 2.816 ( 0.000 19.485 0.000) 19.485 2.863 ( 0.000 22.705 0.000) 22.705 2.932 ( 0.000 20.526 0.000) 20.526 3.304 ( 0.000 -1.486 0.000) 1.486 3.395 ( 0.000 0.482 0.000) 0.482 3.955 ( 0.000 3.938 0.000) 3.938 4.236 ( 0.000 -0.290 0.000) 0.290 4.631 ( 0.000 5.203 0.000) 5.203 4.686 ( 0.000 3.505 0.000) 3.505 6.456 ( 0.000 1.857 0.000) 1.857 7.682 ( 0.000 -5.040 0.000) 5.040 7.862 ( 0.000 -0.221 0.000) 0.221 7.869 ( 0.000 -1.028 0.000) 1.028 8.486 ( 0.000 11.842 0.000) 11.842 8.555 ( 0.000 13.418 0.000) 13.418 9.374 ( 0.000 9.109 0.000) 9.109 9.497 ( 0.000 5.985 0.000) 5.985 9.754 ( 0.000 -4.859 0.000) 4.859 9.830 ( 0.000 -7.426 0.000) 7.426 10.580 ( 0.000 4.891 0.000) 4.891 10.641 ( 0.000 4.044 0.000) 4.044 ======================= Grid point 15 (10/140) ======================= q-point: ( 0.17 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 3.421 11.383 0.000) 11.886 0.755 ( 13.825 10.605 0.000) 17.424 1.129 ( -4.698 -0.129 0.000) 4.700 1.162 ( -0.142 3.101 0.000) 3.104 1.298 ( 0.918 9.330 0.000) 9.375 1.363 ( 0.879 1.287 0.000) 1.559 1.811 ( 4.104 6.350 0.000) 7.561 2.024 ( 5.953 2.084 0.000) 6.307 2.052 ( -1.901 1.100 0.000) 2.196 2.092 ( 1.936 8.880 0.000) 9.089 2.123 ( 1.119 -3.924 0.000) 4.080 2.413 ( -0.262 7.457 0.000) 7.462 2.444 ( -0.289 8.959 0.000) 8.964 2.496 ( 3.680 9.929 0.000) 10.589 2.730 ( -4.168 10.445 0.000) 11.245 2.866 ( 0.512 22.423 0.000) 22.429 2.872 ( 1.512 19.550 0.000) 19.608 2.922 ( -0.596 14.165 0.000) 14.178 3.272 ( -1.846 0.239 0.000) 1.862 3.454 ( 4.597 -0.624 0.000) 4.639 3.818 ( -11.093 4.161 0.000) 11.848 4.202 ( -4.502 -1.107 0.000) 4.636 4.632 ( 0.065 5.189 0.000) 5.190 4.659 ( -1.749 4.332 0.000) 4.671 6.608 ( 13.208 1.040 0.000) 13.248 7.691 ( 0.907 -4.153 0.000) 4.251 7.809 ( -5.101 -1.877 0.000) 5.435 7.868 ( -0.481 -0.815 0.000) 0.947 8.483 ( -0.062 11.867 0.000) 11.868 8.553 ( -0.222 12.867 0.000) 12.869 9.374 ( -0.040 9.175 0.000) 9.176 9.461 ( -2.662 7.899 0.000) 8.336 9.763 ( 0.827 -5.078 0.000) 5.145 9.831 ( 0.005 -7.269 0.000) 7.269 10.583 ( 0.199 4.788 0.000) 4.792 10.635 ( -0.537 4.048 0.000) 4.083 ======================= Grid point 16 (11/140) ======================= q-point: ( 0.33 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 5.059 6.765 0.000) 8.447 0.972 ( 0.315 3.070 0.000) 3.086 1.051 ( 2.375 4.922 0.000) 5.465 1.157 ( -0.479 4.759 0.000) 4.784 1.331 ( 2.147 5.112 0.000) 5.545 1.381 ( 0.485 1.215 0.000) 1.309 1.906 ( 4.053 6.999 0.000) 8.088 2.011 ( -1.890 3.228 0.000) 3.740 2.091 ( 1.654 1.405 0.000) 2.170 2.137 ( 0.085 -3.755 0.000) 3.756 2.235 ( 9.086 5.623 0.000) 10.685 2.429 ( 1.921 6.311 0.000) 6.596 2.429 ( -1.179 10.298 0.000) 10.365 2.597 ( 5.666 15.646 0.000) 16.640 2.634 ( -4.957 6.989 0.000) 8.569 2.837 ( -4.128 26.895 0.000) 27.210 2.896 ( 2.372 18.417 0.000) 18.569 2.938 ( 1.209 6.119 0.000) 6.237 3.253 ( 0.663 2.939 0.000) 3.013 3.553 ( -12.441 5.134 0.000) 13.459 3.581 ( 7.454 -1.394 0.000) 7.583 4.028 ( -11.062 -2.045 0.000) 11.249 4.633 ( 0.014 5.227 0.000) 5.228 4.636 ( -0.444 5.168 0.000) 5.187 6.957 ( 18.164 -0.569 0.000) 18.173 7.636 ( -11.260 -2.407 0.000) 11.514 7.723 ( 2.143 -2.403 0.000) 3.220 7.838 ( -2.294 -1.183 0.000) 2.581 8.492 ( 0.970 11.342 0.000) 11.383 8.543 ( -0.811 11.744 0.000) 11.772 9.374 ( 0.130 9.419 0.000) 9.420 9.409 ( -1.898 9.669 0.000) 9.854 9.786 ( 1.205 -5.629 0.000) 5.757 9.826 ( -0.491 -6.847 0.000) 6.864 10.590 ( 0.469 4.540 0.000) 4.564 10.620 ( -0.819 4.102 0.000) 4.183 ======================= Grid point 17 (12/140) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -5.488 2.736 0.000) 6.132 0.875 ( 5.488 2.736 0.000) 6.132 1.132 ( -2.275 6.584 0.000) 6.966 1.132 ( 2.275 6.584 0.000) 6.966 1.373 ( -1.343 1.920 0.000) 2.343 1.373 ( 1.343 1.920 0.000) 2.343 1.970 ( -2.159 5.746 0.000) 6.138 1.970 ( 2.159 5.746 0.000) 6.138 2.125 ( -1.260 -2.176 0.000) 2.514 2.125 ( 1.260 -2.176 0.000) 2.514 2.382 ( -3.848 10.639 0.000) 11.313 2.382 ( 3.848 10.639 0.000) 11.313 2.514 ( -5.894 2.701 0.000) 6.483 2.514 ( 5.894 2.701 0.000) 6.483 2.724 ( -5.966 23.149 0.000) 23.905 2.724 ( 5.966 23.149 0.000) 23.905 2.942 ( -1.138 10.178 0.000) 10.242 2.942 ( 1.138 10.178 0.000) 10.242 3.333 ( -7.362 5.734 0.000) 9.331 3.333 ( 7.362 5.734 0.000) 9.331 3.780 ( -11.115 -1.983 0.000) 11.291 3.780 ( 11.115 -1.983 0.000) 11.291 4.633 ( -0.012 5.289 0.000) 5.289 4.633 ( 0.012 5.289 0.000) 5.289 7.336 ( -16.500 -1.892 0.000) 16.608 7.336 ( 16.500 -1.892 0.000) 16.608 7.779 ( -2.949 -1.287 0.000) 3.218 7.779 ( 2.949 -1.287 0.000) 3.218 8.519 ( -1.342 11.048 0.000) 11.129 8.519 ( 1.342 11.048 0.000) 11.129 9.382 ( -0.727 9.781 0.000) 9.808 9.382 ( 0.727 9.781 0.000) 9.808 9.810 ( -1.013 -6.280 0.000) 6.361 9.810 ( 1.013 -6.280 0.000) 6.361 10.603 ( -0.749 4.273 0.000) 4.338 10.603 ( 0.749 4.273 0.000) 4.338 ======================= Grid point 21 (13/140) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 0.000 9.173 0.000) 9.173 0.871 ( 0.000 15.565 0.000) 15.565 1.150 ( 0.000 -2.626 0.000) 2.626 1.189 ( 0.000 0.435 0.000) 0.435 1.365 ( 0.000 0.148 0.000) 0.148 1.422 ( 0.000 5.206 0.000) 5.206 1.835 ( 0.000 1.955 0.000) 1.955 1.969 ( 0.000 -5.916 0.000) 5.916 2.077 ( 0.000 8.007 0.000) 8.007 2.111 ( 0.000 -0.606 0.000) 0.606 2.157 ( 0.000 0.950 0.000) 0.950 2.424 ( 0.000 -1.187 0.000) 1.187 2.575 ( 0.000 4.102 0.000) 4.102 2.733 ( 0.000 11.282 0.000) 11.282 2.897 ( 0.000 3.080 0.000) 3.080 2.971 ( 0.000 4.959 0.000) 4.959 3.107 ( 0.000 -0.386 0.000) 0.386 3.262 ( 0.000 -2.828 0.000) 2.828 3.540 ( 0.000 31.686 0.000) 31.686 3.653 ( 0.000 26.359 0.000) 26.359 4.055 ( 0.000 5.439 0.000) 5.439 4.231 ( 0.000 -0.166 0.000) 0.166 4.778 ( 0.000 9.439 0.000) 9.439 4.794 ( 0.000 7.529 0.000) 7.529 6.513 ( 0.000 4.112 0.000) 4.112 7.571 ( 0.000 -6.095 0.000) 6.095 7.843 ( 0.000 -1.387 0.000) 1.387 7.866 ( 0.000 0.616 0.000) 0.616 8.778 ( 0.000 17.695 0.000) 17.695 8.873 ( 0.000 18.748 0.000) 18.748 9.559 ( 0.000 9.229 0.000) 9.229 9.621 ( 0.000 6.361 0.000) 6.361 9.676 ( 0.000 -2.752 0.000) 2.752 9.708 ( 0.000 -4.798 0.000) 4.798 10.645 ( 0.000 1.484 0.000) 1.484 10.699 ( 0.000 1.581 0.000) 1.581 ======================= Grid point 22 (14/140) ======================= q-point: ( 0.17 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.734 8.110 0.000) 8.143 0.981 ( 8.393 12.066 0.000) 14.699 1.135 ( -4.233 0.627 0.000) 4.279 1.164 ( 1.202 -2.025 0.000) 2.354 1.363 ( -0.083 0.226 0.000) 0.240 1.425 ( 0.206 4.804 0.000) 4.809 1.898 ( 5.001 1.966 0.000) 5.374 1.977 ( 0.727 -5.229 0.000) 5.279 2.108 ( 0.763 4.568 0.000) 4.631 2.109 ( -0.229 -0.634 0.000) 0.674 2.169 ( 3.241 2.618 0.000) 4.166 2.442 ( 1.748 -0.390 0.000) 1.791 2.573 ( -0.247 3.845 0.000) 3.853 2.766 ( 3.184 11.085 0.000) 11.533 2.842 ( -4.198 3.846 0.000) 5.693 3.001 ( 1.831 4.109 0.000) 4.498 3.111 ( 0.264 0.474 0.000) 0.543 3.286 ( 2.503 -1.812 0.000) 3.090 3.502 ( -3.936 29.268 0.000) 29.531 3.666 ( 1.163 25.065 0.000) 25.092 3.935 ( -9.140 7.880 0.000) 12.068 4.178 ( -5.877 -1.369 0.000) 6.035 4.779 ( 0.088 9.459 0.000) 9.460 4.786 ( -0.478 8.455 0.000) 8.468 6.647 ( 11.685 3.079 0.000) 12.084 7.596 ( 2.260 -5.340 0.000) 5.799 7.776 ( -5.787 -1.380 0.000) 5.949 7.860 ( -1.091 -0.022 0.000) 1.092 8.777 ( 0.013 17.832 0.000) 17.832 8.864 ( -0.803 18.554 0.000) 18.571 9.558 ( -0.067 9.135 0.000) 9.136 9.605 ( -1.214 6.601 0.000) 6.712 9.681 ( 0.452 -2.957 0.000) 2.991 9.713 ( 0.304 -4.391 0.000) 4.402 10.646 ( 0.087 1.448 0.000) 1.451 10.693 ( -0.576 1.532 0.000) 1.637 ======================= Grid point 23 (15/140) ======================= q-point: ( 0.33 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 1.780 5.801 0.000) 6.068 1.022 ( -4.403 2.531 0.000) 5.079 1.161 ( 5.467 5.489 0.000) 7.747 1.195 ( 1.457 -0.626 0.000) 1.586 1.370 ( 0.994 0.810 0.000) 1.283 1.426 ( -0.334 3.828 0.000) 3.843 2.000 ( 1.419 -3.330 0.000) 3.619 2.006 ( 4.313 1.931 0.000) 4.726 2.084 ( -1.922 -0.086 0.000) 1.924 2.100 ( -0.669 -0.676 0.000) 0.951 2.314 ( 8.937 2.913 0.000) 9.400 2.498 ( 3.312 1.962 0.000) 3.850 2.559 ( -1.234 2.989 0.000) 3.234 2.729 ( -6.438 4.254 0.000) 7.716 2.874 ( 6.823 10.587 0.000) 12.595 3.033 ( 0.945 3.670 0.000) 3.790 3.116 ( 0.318 2.161 0.000) 2.185 3.355 ( -9.575 19.799 0.000) 21.993 3.382 ( 6.751 2.145 0.000) 7.084 3.705 ( 2.635 20.669 0.000) 20.836 3.743 ( -8.108 15.350 0.000) 17.360 3.988 ( -10.684 -1.199 0.000) 10.751 4.781 ( 0.079 9.521 0.000) 9.522 4.781 ( -0.018 9.372 0.000) 9.372 6.960 ( 16.475 1.023 0.000) 16.506 7.596 ( -11.162 -1.502 0.000) 11.262 7.662 ( 3.687 -3.670 0.000) 5.203 7.817 ( -2.815 -0.893 0.000) 2.953 8.784 ( 0.741 17.959 0.000) 17.974 8.840 ( -1.408 18.175 0.000) 18.230 9.557 ( 0.096 8.864 0.000) 8.865 9.580 ( -1.026 7.527 0.000) 7.597 9.694 ( 0.668 -3.424 0.000) 3.489 9.715 ( -0.148 -4.092 0.000) 4.095 10.650 ( 0.325 1.381 0.000) 1.419 10.677 ( -0.825 1.430 0.000) 1.651 ======================= Grid point 24 (16/140) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -3.221 3.602 0.000) 4.832 0.938 ( 3.221 3.602 0.000) 4.832 1.214 ( -0.075 1.577 0.000) 1.579 1.214 ( 0.075 1.577 0.000) 1.579 1.404 ( -1.690 2.579 0.000) 3.083 1.404 ( 1.690 2.579 0.000) 3.083 2.036 ( -1.763 -0.307 0.000) 1.790 2.036 ( 1.763 -0.307 0.000) 1.790 2.076 ( -1.679 -0.969 0.000) 1.939 2.076 ( 1.679 -0.969 0.000) 1.939 2.495 ( -6.108 1.318 0.000) 6.248 2.495 ( 6.108 1.318 0.000) 6.248 2.585 ( -5.695 4.738 0.000) 7.408 2.585 ( 5.695 4.738 0.000) 7.408 3.017 ( -4.067 6.780 0.000) 7.906 3.017 ( 4.067 6.780 0.000) 7.906 3.160 ( -5.994 8.691 0.000) 10.557 3.160 ( 5.994 8.691 0.000) 10.557 3.564 ( -9.276 11.152 0.000) 14.506 3.564 ( 9.276 11.152 0.000) 14.506 3.793 ( -6.381 9.692 0.000) 11.604 3.793 ( 6.381 9.692 0.000) 11.604 4.782 ( -0.016 9.569 0.000) 9.569 4.782 ( 0.016 9.569 0.000) 9.569 7.308 ( -15.453 -0.707 0.000) 15.469 7.308 ( 15.453 -0.707 0.000) 15.469 7.745 ( -3.849 -2.072 0.000) 4.371 7.745 ( 3.849 -2.072 0.000) 4.371 8.808 ( -1.440 17.969 0.000) 18.027 8.808 ( 1.440 17.969 0.000) 18.027 9.563 ( -0.500 8.365 0.000) 8.380 9.563 ( 0.500 8.365 0.000) 8.380 9.707 ( -0.551 -3.849 0.000) 3.888 9.707 ( 0.551 -3.849 0.000) 3.888 10.661 ( -0.666 1.363 0.000) 1.517 10.661 ( 0.666 1.363 0.000) 1.517 ======================= Grid point 28 (17/140) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.000 5.667 0.000) 5.667 1.094 ( 0.000 -2.616 0.000) 2.616 1.146 ( 0.000 9.284 0.000) 9.284 1.228 ( 0.000 6.839 0.000) 6.839 1.351 ( 0.000 -1.184 0.000) 1.184 1.527 ( 0.000 4.784 0.000) 4.784 1.868 ( 0.000 1.903 0.000) 1.903 1.895 ( 0.000 -0.847 0.000) 0.847 2.065 ( 0.000 -3.935 0.000) 3.935 2.154 ( 0.000 -0.961 0.000) 0.961 2.190 ( 0.000 1.965 0.000) 1.965 2.421 ( 0.000 2.012 0.000) 2.012 2.584 ( 0.000 -3.434 0.000) 3.434 2.849 ( 0.000 1.222 0.000) 1.222 2.947 ( 0.000 2.745 0.000) 2.745 3.033 ( 0.000 -4.952 0.000) 4.952 3.049 ( 0.000 3.009 0.000) 3.009 3.192 ( 0.000 -4.289 0.000) 4.289 4.092 ( 0.000 22.397 0.000) 22.397 4.141 ( 0.000 3.164 0.000) 3.164 4.189 ( 0.000 25.756 0.000) 25.756 4.241 ( 0.000 3.118 0.000) 3.118 4.953 ( 0.000 7.556 0.000) 7.556 4.963 ( 0.000 8.395 0.000) 8.395 6.620 ( 0.000 6.804 0.000) 6.804 7.446 ( 0.000 -6.712 0.000) 6.712 7.824 ( 0.000 -0.394 0.000) 0.394 7.885 ( 0.000 1.162 0.000) 1.162 9.161 ( 0.000 21.035 0.000) 21.035 9.270 ( 0.000 21.378 0.000) 21.378 9.651 ( 0.000 -0.945 0.000) 0.945 9.654 ( 0.000 0.606 0.000) 0.606 9.718 ( 0.000 6.816 0.000) 6.816 9.732 ( 0.000 4.662 0.000) 4.662 10.631 ( 0.000 -3.152 0.000) 3.152 10.692 ( 0.000 -2.561 0.000) 2.561 ======================= Grid point 29 (18/140) ======================= q-point: ( 0.17 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -0.365 5.256 0.000) 5.269 1.116 ( 1.794 -2.348 0.000) 2.955 1.149 ( -2.282 1.465 0.000) 2.712 1.210 ( 0.809 9.499 0.000) 9.534 1.369 ( 1.734 1.936 0.000) 2.599 1.525 ( -0.234 4.729 0.000) 4.734 1.911 ( 1.413 -0.787 0.000) 1.618 1.922 ( 4.245 1.107 0.000) 4.387 2.064 ( -0.059 -3.800 0.000) 3.800 2.133 ( -1.901 -0.693 0.000) 2.024 2.222 ( 2.987 0.064 0.000) 2.987 2.460 ( 3.712 3.454 0.000) 5.071 2.576 ( -0.807 -3.672 0.000) 3.759 2.884 ( 3.398 1.627 0.000) 3.767 2.910 ( -3.129 3.657 0.000) 4.813 3.060 ( 2.243 -3.876 0.000) 4.478 3.063 ( 0.973 2.297 0.000) 2.495 3.215 ( 2.488 -4.699 0.000) 5.318 3.901 ( -13.180 9.616 0.000) 16.315 4.144 ( -8.751 -0.203 0.000) 8.753 4.190 ( 0.123 25.506 0.000) 25.507 4.198 ( 1.433 18.425 0.000) 18.481 4.958 ( 0.397 7.978 0.000) 7.987 4.965 ( 0.125 8.408 0.000) 8.409 6.733 ( 9.963 5.756 0.000) 11.506 7.485 ( 3.492 -6.021 0.000) 6.960 7.760 ( -5.774 -0.142 0.000) 5.776 7.866 ( -1.902 0.513 0.000) 1.970 9.162 ( 0.185 21.119 0.000) 21.120 9.259 ( -0.992 21.311 0.000) 21.334 9.650 ( -0.060 -0.591 0.000) 0.594 9.655 ( 0.050 0.458 0.000) 0.460 9.716 ( -0.212 6.663 0.000) 6.667 9.730 ( -0.173 4.550 0.000) 4.554 10.631 ( 0.067 -3.147 0.000) 3.148 10.684 ( -0.678 -2.626 0.000) 2.712 ======================= Grid point 30 (19/140) ======================= q-point: ( 0.33 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.387 4.625 0.000) 4.641 1.072 ( -3.665 2.514 0.000) 4.444 1.161 ( 2.284 -2.109 0.000) 3.109 1.230 ( -0.118 1.094 0.000) 1.100 1.427 ( 3.310 5.828 0.000) 6.702 1.515 ( -0.771 4.800 0.000) 4.861 1.953 ( 2.463 -0.697 0.000) 2.559 2.006 ( 2.908 -0.819 0.000) 3.021 2.061 ( -0.252 -3.386 0.000) 3.396 2.081 ( -2.761 -0.643 0.000) 2.835 2.322 ( 6.288 -2.673 0.000) 6.832 2.544 ( -2.438 -4.300 0.000) 4.943 2.568 ( 5.859 5.698 0.000) 8.173 2.821 ( -5.167 5.234 0.000) 7.354 2.996 ( 6.681 2.766 0.000) 7.231 3.080 ( 0.548 1.413 0.000) 1.516 3.111 ( 2.835 -1.568 0.000) 3.240 3.326 ( 8.512 -5.133 0.000) 9.940 3.581 ( -15.801 6.081 0.000) 16.931 3.888 ( -14.349 -2.150 0.000) 14.509 4.195 ( 0.292 24.819 0.000) 24.821 4.209 ( -0.084 21.978 0.000) 21.978 4.966 ( 0.305 8.409 0.000) 8.415 4.968 ( 0.143 8.450 0.000) 8.451 7.004 ( 14.491 3.586 0.000) 14.928 7.583 ( 5.368 -4.366 0.000) 6.919 7.584 ( -10.671 0.368 0.000) 10.677 7.802 ( -3.996 -0.768 0.000) 4.069 9.172 ( 0.805 21.220 0.000) 21.235 9.231 ( -1.572 21.211 0.000) 21.269 9.650 ( 0.100 -0.040 0.000) 0.108 9.655 ( -0.031 0.221 0.000) 0.223 9.712 ( -0.048 6.131 0.000) 6.132 9.724 ( -0.393 4.617 0.000) 4.634 10.635 ( 0.342 -3.101 0.000) 3.120 10.666 ( -0.964 -2.790 0.000) 2.952 ======================= Grid point 31 (20/140) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -1.922 3.714 0.000) 4.182 1.011 ( 1.922 3.714 0.000) 4.182 1.206 ( -1.821 -1.526 0.000) 2.376 1.206 ( 1.821 -1.526 0.000) 2.376 1.487 ( -2.060 5.403 0.000) 5.783 1.487 ( 2.060 5.403 0.000) 5.783 2.011 ( -2.693 -0.714 0.000) 2.786 2.011 ( 2.693 -0.714 0.000) 2.786 2.052 ( -0.646 -2.487 0.000) 2.570 2.052 ( 0.646 -2.487 0.000) 2.570 2.460 ( -5.630 -4.427 0.000) 7.162 2.460 ( 5.630 -4.427 0.000) 7.162 2.697 ( -6.155 6.502 0.000) 8.954 2.697 ( 6.155 6.502 0.000) 8.954 3.080 ( -0.886 1.118 0.000) 1.426 3.080 ( 0.886 1.118 0.000) 1.426 3.270 ( -12.369 3.193 0.000) 12.774 3.270 ( 12.369 3.193 0.000) 12.774 3.574 ( -14.095 -3.971 0.000) 14.643 3.574 ( 14.095 -3.971 0.000) 14.643 4.202 ( -0.397 23.755 0.000) 23.758 4.202 ( 0.397 23.755 0.000) 23.758 4.969 ( -0.015 8.495 0.000) 8.495 4.969 ( 0.015 8.495 0.000) 8.495 7.316 ( -14.091 1.596 0.000) 14.181 7.316 ( 14.091 1.596 0.000) 14.181 7.701 ( -5.357 -2.465 0.000) 5.897 7.701 ( 5.357 -2.465 0.000) 5.897 9.197 ( -1.468 21.208 0.000) 21.258 9.197 ( 1.468 21.208 0.000) 21.258 9.653 ( -0.173 0.179 0.000) 0.248 9.653 ( 0.173 0.179 0.000) 0.248 9.715 ( -0.325 5.241 0.000) 5.251 9.715 ( 0.325 5.241 0.000) 5.251 10.647 ( -0.760 -2.975 0.000) 3.070 10.647 ( 0.760 -2.975 0.000) 3.070 ======================= Grid point 35 (21/140) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.000 -0.844 0.000) 0.844 1.072 ( 0.000 2.054 0.000) 2.054 1.211 ( 0.000 1.837 0.000) 1.837 1.323 ( 0.000 -1.607 0.000) 1.607 1.477 ( 0.000 14.082 0.000) 14.082 1.604 ( 0.000 3.798 0.000) 3.798 1.917 ( 0.000 3.106 0.000) 3.106 1.949 ( 0.000 5.816 0.000) 5.816 1.965 ( 0.000 -6.120 0.000) 6.120 2.122 ( 0.000 -2.332 0.000) 2.332 2.139 ( 0.000 -6.174 0.000) 6.174 2.459 ( 0.000 -8.524 0.000) 8.524 2.510 ( 0.000 6.040 0.000) 6.040 2.817 ( 0.000 -3.604 0.000) 3.604 2.952 ( 0.000 -2.763 0.000) 2.763 3.009 ( 0.000 3.311 0.000) 3.311 3.089 ( 0.000 1.157 0.000) 1.157 3.098 ( 0.000 -5.155 0.000) 5.155 4.182 ( 0.000 1.301 0.000) 1.301 4.208 ( 0.000 0.128 0.000) 0.128 4.554 ( 0.000 18.354 0.000) 18.354 4.623 ( 0.000 18.402 0.000) 18.402 5.051 ( 0.000 1.899 0.000) 1.899 5.074 ( 0.000 2.549 0.000) 2.549 6.775 ( 0.000 8.918 0.000) 8.918 7.306 ( 0.000 -7.711 0.000) 7.711 7.831 ( 0.000 1.046 0.000) 1.046 7.901 ( 0.000 0.302 0.000) 0.302 9.579 ( 0.000 21.215 0.000) 21.215 9.668 ( 0.000 2.501 0.000) 2.501 9.682 ( 0.000 19.403 0.000) 19.403 9.695 ( 0.000 3.322 0.000) 3.322 9.794 ( 0.000 1.587 0.000) 1.587 9.821 ( 0.000 4.423 0.000) 4.423 10.517 ( 0.000 -8.537 0.000) 8.537 10.593 ( 0.000 -7.709 0.000) 7.709 ======================= Grid point 36 (22/140) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -0.038 1.453 0.000) 1.453 1.088 ( 1.409 -0.155 0.000) 1.418 1.180 ( -2.644 1.783 0.000) 3.189 1.282 ( -2.861 -0.450 0.000) 2.897 1.520 ( 3.055 11.605 0.000) 12.000 1.606 ( 0.137 4.093 0.000) 4.095 1.949 ( 2.296 1.673 0.000) 2.841 1.951 ( 0.284 1.228 0.000) 1.260 1.974 ( 0.773 -1.939 0.000) 2.087 2.107 ( -1.396 -1.774 0.000) 2.257 2.152 ( 1.701 -6.289 0.000) 6.515 2.450 ( -0.907 -8.435 0.000) 8.484 2.569 ( 5.171 6.683 0.000) 8.450 2.866 ( 4.721 -2.625 0.000) 5.401 2.986 ( -2.032 3.869 0.000) 4.370 2.989 ( 3.282 -2.877 0.000) 4.365 3.092 ( 0.170 0.700 0.000) 0.720 3.114 ( 1.799 -5.374 0.000) 5.667 4.003 ( -13.660 3.002 0.000) 13.986 4.115 ( -9.818 -1.673 0.000) 9.959 4.582 ( 1.728 17.824 0.000) 17.908 4.621 ( -0.115 18.359 0.000) 18.360 5.061 ( 0.774 2.108 0.000) 2.246 5.075 ( 0.117 2.520 0.000) 2.523 6.869 ( 8.323 8.001 0.000) 11.545 7.358 ( 4.636 -7.077 0.000) 8.461 7.773 ( -5.309 1.395 0.000) 5.489 7.871 ( -2.883 -0.275 0.000) 2.896 9.581 ( 0.195 21.102 0.000) 21.103 9.666 ( -1.187 16.845 0.000) 16.887 9.670 ( 0.151 2.596 0.000) 2.600 9.698 ( -0.009 5.872 0.000) 5.872 9.793 ( -0.060 1.698 0.000) 1.699 9.816 ( -0.467 4.212 0.000) 4.238 10.518 ( 0.111 -8.502 0.000) 8.503 10.584 ( -0.792 -7.769 0.000) 7.809 ======================= Grid point 37 (23/140) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.324 2.631 0.000) 2.651 1.119 ( -2.662 2.273 0.000) 3.500 1.127 ( 2.110 -1.257 0.000) 2.456 1.224 ( -2.457 -1.081 0.000) 2.685 1.578 ( 2.068 8.977 0.000) 9.212 1.609 ( 0.098 5.019 0.000) 5.020 1.963 ( 0.820 -3.421 0.000) 3.518 1.982 ( 0.546 -1.976 0.000) 2.050 1.994 ( 1.047 1.694 0.000) 1.991 2.066 ( -2.233 -0.495 0.000) 2.287 2.230 ( 5.258 -5.949 0.000) 7.939 2.416 ( -2.389 -8.081 0.000) 8.426 2.701 ( 6.457 7.417 0.000) 9.834 2.925 ( -3.721 5.150 0.000) 6.353 3.021 ( 8.833 0.565 0.000) 8.851 3.064 ( 3.794 -3.198 0.000) 4.962 3.093 ( -0.194 -0.158 0.000) 0.250 3.215 ( 8.794 -5.921 0.000) 10.601 3.661 ( -17.283 2.921 0.000) 17.528 3.829 ( -15.871 -3.336 0.000) 16.218 4.608 ( 0.693 17.809 0.000) 17.822 4.619 ( -0.123 18.238 0.000) 18.239 5.076 ( 0.456 2.340 0.000) 2.384 5.079 ( 0.149 2.462 0.000) 2.466 7.099 ( 12.453 5.980 0.000) 13.815 7.488 ( 7.089 -5.493 0.000) 8.968 7.611 ( -9.711 2.336 0.000) 9.988 7.780 ( -5.488 -1.677 0.000) 5.738 9.589 ( 0.642 20.557 0.000) 20.567 9.637 ( -1.422 17.729 0.000) 17.786 9.675 ( 0.343 2.962 0.000) 2.982 9.693 ( -0.377 5.087 0.000) 5.101 9.792 ( 0.006 2.099 0.000) 2.099 9.804 ( -0.549 3.616 0.000) 3.657 10.524 ( 0.462 -8.379 0.000) 8.392 10.562 ( -1.152 -7.938 0.000) 8.021 ======================= Grid point 38 (24/140) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -1.296 2.778 0.000) 3.066 1.076 ( 1.296 2.778 0.000) 3.066 1.174 ( -2.287 -1.554 0.000) 2.765 1.174 ( 2.287 -1.554 0.000) 2.765 1.605 ( -0.570 6.671 0.000) 6.696 1.605 ( 0.570 6.671 0.000) 6.696 1.980 ( -0.585 -4.644 0.000) 4.680 1.980 ( 0.585 -4.644 0.000) 4.680 2.022 ( -1.717 1.899 0.000) 2.560 2.022 ( 1.717 1.899 0.000) 2.560 2.342 ( -4.619 -7.122 0.000) 8.489 2.342 ( 4.619 -7.122 0.000) 8.489 2.828 ( -5.325 6.712 0.000) 8.568 2.828 ( 5.325 6.712 0.000) 8.568 3.082 ( -0.822 -0.851 0.000) 1.183 3.082 ( 0.822 -0.851 0.000) 1.183 3.307 ( -15.164 1.187 0.000) 15.211 3.307 ( 15.164 1.187 0.000) 15.211 3.483 ( -15.464 -4.865 0.000) 16.211 3.483 ( 15.464 -4.865 0.000) 16.211 4.616 ( -0.171 18.047 0.000) 18.048 4.616 ( 0.171 18.047 0.000) 18.048 5.080 ( -0.020 2.417 0.000) 2.417 5.080 ( 0.020 2.417 0.000) 2.417 7.370 ( -12.461 3.909 0.000) 13.060 7.370 ( 12.461 3.909 0.000) 13.060 7.643 ( -7.128 -3.537 0.000) 7.958 7.643 ( 7.128 -3.537 0.000) 7.958 9.609 ( -1.168 19.334 0.000) 19.369 9.609 ( 1.168 19.334 0.000) 19.369 9.684 ( -0.468 3.807 0.000) 3.836 9.684 ( 0.468 3.807 0.000) 3.836 9.795 ( -0.278 2.810 0.000) 2.823 9.795 ( 0.278 2.810 0.000) 2.823 10.539 ( -0.948 -8.169 0.000) 8.224 10.539 ( 0.948 -8.169 0.000) 8.224 ======================= Grid point 42 (25/140) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.000 0.820 0.000) 0.820 1.080 ( 0.000 -0.780 0.000) 0.780 1.249 ( 0.000 2.008 0.000) 2.008 1.288 ( 0.000 -1.951 0.000) 1.951 1.701 ( 0.000 6.145 0.000) 6.145 1.741 ( 0.000 12.779 0.000) 12.779 1.834 ( 0.000 -7.074 0.000) 7.074 1.959 ( 0.000 -6.228 0.000) 6.228 2.003 ( 0.000 -0.246 0.000) 0.246 2.065 ( 0.000 -3.424 0.000) 3.424 2.095 ( 0.000 8.712 0.000) 8.712 2.277 ( 0.000 -9.631 0.000) 9.631 2.627 ( 0.000 5.695 0.000) 5.695 2.731 ( 0.000 -4.933 0.000) 4.933 2.938 ( 0.000 1.431 0.000) 1.431 3.000 ( 0.000 -4.524 0.000) 4.524 3.065 ( 0.000 2.283 0.000) 2.283 3.094 ( 0.000 -0.640 0.000) 0.640 4.199 ( 0.000 0.519 0.000) 0.519 4.206 ( 0.000 -0.237 0.000) 0.237 4.851 ( 0.000 11.915 0.000) 11.915 4.909 ( 0.000 11.025 0.000) 11.025 5.019 ( 0.000 -5.213 0.000) 5.213 5.058 ( 0.000 -4.233 0.000) 4.233 6.959 ( 0.000 9.654 0.000) 9.654 7.143 ( 0.000 -9.002 0.000) 9.002 7.860 ( 0.000 1.801 0.000) 1.801 7.892 ( 0.000 -1.204 0.000) 1.204 9.732 ( 0.000 3.557 0.000) 3.557 9.768 ( 0.000 3.576 0.000) 3.576 9.788 ( 0.000 -1.688 0.000) 1.688 9.816 ( 0.000 -0.799 0.000) 0.799 9.975 ( 0.000 18.544 0.000) 18.544 10.086 ( 0.000 17.554 0.000) 17.554 10.296 ( 0.000 -14.014 0.000) 14.014 10.389 ( 0.000 -13.109 0.000) 13.109 ======================= Grid point 43 (26/140) ======================= q-point: ( 0.17 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.923 0.730 0.000) 1.177 1.087 ( 0.646 -0.587 0.000) 0.873 1.218 ( -2.542 2.050 0.000) 3.265 1.256 ( -2.594 -1.799 0.000) 3.157 1.705 ( 0.433 6.149 0.000) 6.164 1.752 ( 0.706 11.509 0.000) 11.531 1.836 ( 0.299 -6.932 0.000) 6.938 1.944 ( -1.287 -5.995 0.000) 6.131 2.039 ( 3.042 -1.327 0.000) 3.319 2.067 ( 0.228 -2.252 0.000) 2.264 2.097 ( 0.075 8.257 0.000) 8.257 2.271 ( -0.569 -9.370 0.000) 9.387 2.697 ( 6.099 6.019 0.000) 8.569 2.798 ( 6.228 -4.299 0.000) 7.568 2.964 ( 2.523 0.656 0.000) 2.607 3.016 ( 1.611 -4.299 0.000) 4.591 3.052 ( -1.211 2.716 0.000) 2.974 3.089 ( -0.505 -1.037 0.000) 1.153 4.048 ( -12.648 1.881 0.000) 12.787 4.082 ( -11.361 -1.686 0.000) 11.485 4.870 ( 1.366 11.601 0.000) 11.681 4.908 ( -0.092 11.081 0.000) 11.082 5.033 ( 1.050 -4.986 0.000) 5.095 5.058 ( 0.028 -4.304 0.000) 4.304 7.037 ( 6.916 8.904 0.000) 11.275 7.207 ( 5.731 -8.361 0.000) 10.137 7.810 ( -4.626 2.226 0.000) 5.134 7.851 ( -3.810 -1.700 0.000) 4.172 9.733 ( 0.062 3.519 0.000) 3.519 9.762 ( -0.465 3.541 0.000) 3.572 9.787 ( -0.056 -1.577 0.000) 1.577 9.810 ( -0.483 -0.814 0.000) 0.947 9.978 ( 0.321 18.446 0.000) 18.448 10.076 ( -0.942 17.552 0.000) 17.577 10.298 ( 0.197 -13.961 0.000) 13.962 10.379 ( -0.888 -13.152 0.000) 13.182 ======================= Grid point 44 (27/140) ======================= q-point: ( 0.33 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 1.058 1.045 0.000) 1.487 1.109 ( 1.476 -0.717 0.000) 1.641 1.161 ( -2.462 2.025 0.000) 3.188 1.197 ( -2.670 -1.667 0.000) 3.148 1.720 ( 0.919 6.309 0.000) 6.376 1.759 ( -0.256 9.038 0.000) 9.042 1.848 ( 0.855 -6.584 0.000) 6.640 1.910 ( -1.752 -5.849 0.000) 6.105 2.071 ( 0.536 1.181 0.000) 1.297 2.096 ( -0.220 6.928 0.000) 6.931 2.122 ( 4.060 -4.285 0.000) 5.903 2.250 ( -1.576 -8.537 0.000) 8.681 2.846 ( 6.527 7.222 0.000) 9.735 2.973 ( 7.305 -5.487 0.000) 9.136 3.014 ( -2.333 3.864 0.000) 4.513 3.049 ( 7.379 1.901 0.000) 7.620 3.072 ( -1.104 -1.998 0.000) 2.282 3.110 ( 8.950 -4.397 0.000) 9.971 3.712 ( -17.703 2.548 0.000) 17.885 3.766 ( -17.151 -3.023 0.000) 17.416 4.894 ( 0.720 11.386 0.000) 11.409 4.906 ( -0.113 11.208 0.000) 11.208 5.052 ( 0.593 -4.746 0.000) 4.783 5.059 ( 0.041 -4.465 0.000) 4.465 7.229 ( 10.538 7.140 0.000) 12.729 7.368 ( 8.783 -6.774 0.000) 11.092 7.669 ( -8.442 3.397 0.000) 9.100 7.734 ( -7.012 -3.014 0.000) 7.633 9.735 ( 0.159 3.441 0.000) 3.445 9.751 ( -0.563 3.467 0.000) 3.512 9.786 ( -0.004 -1.283 0.000) 1.283 9.798 ( -0.560 -0.866 0.000) 1.032 9.991 ( 0.897 18.144 0.000) 18.166 10.049 ( -1.491 17.597 0.000) 17.660 10.307 ( 0.648 -13.789 0.000) 13.804 10.354 ( -1.340 -13.293 0.000) 13.360 ======================= Grid point 45 (28/140) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -1.471 1.699 0.000) 2.247 1.119 ( 1.471 1.699 0.000) 2.247 1.147 ( -2.026 -1.312 0.000) 2.414 1.147 ( 2.026 -1.312 0.000) 2.414 1.742 ( -1.086 7.108 0.000) 7.191 1.742 ( 1.086 7.108 0.000) 7.191 1.874 ( -1.527 -6.178 0.000) 6.364 1.874 ( 1.527 -6.178 0.000) 6.364 2.086 ( -0.696 4.631 0.000) 4.683 2.086 ( 0.696 4.631 0.000) 4.683 2.200 ( -3.078 -6.912 0.000) 7.566 2.200 ( 3.078 -6.912 0.000) 7.566 2.951 ( -3.675 5.701 0.000) 6.783 2.951 ( 3.675 5.701 0.000) 6.783 3.042 ( -1.737 -3.400 0.000) 3.818 3.042 ( 1.737 -3.400 0.000) 3.818 3.336 ( -16.692 2.124 0.000) 16.826 3.336 ( 16.692 2.124 0.000) 16.826 3.395 ( -16.565 -3.926 0.000) 17.024 3.395 ( 16.565 -3.926 0.000) 17.024 4.903 ( -0.214 11.316 0.000) 11.318 4.903 ( 0.214 11.316 0.000) 11.318 5.058 ( -0.103 -4.615 0.000) 4.617 5.058 ( 0.103 -4.615 0.000) 4.617 7.461 ( -10.707 5.134 0.000) 11.874 7.461 ( 10.707 5.134 0.000) 11.874 7.561 ( -8.929 -4.831 0.000) 10.152 7.561 ( 8.929 -4.831 0.000) 10.152 9.741 ( -0.357 3.415 0.000) 3.433 9.741 ( 0.357 3.415 0.000) 3.433 9.789 ( -0.271 -1.003 0.000) 1.039 9.789 ( 0.271 -1.003 0.000) 1.039 10.016 ( -1.435 17.792 0.000) 17.850 10.016 ( 1.435 17.792 0.000) 17.850 10.326 ( -1.181 -13.530 0.000) 13.582 10.326 ( 1.181 -13.530 0.000) 13.582 ======================= Grid point 91 (29/140) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( 0.000 0.000 14.882) 14.882 0.292 ( 0.000 0.000 14.562) 14.562 0.832 ( 0.000 0.000 38.044) 38.044 0.874 ( 0.000 0.000 1.853) 1.853 1.219 ( 0.000 0.000 2.181) 2.181 1.447 ( 0.000 0.000 2.592) 2.592 1.669 ( 0.000 0.000 -2.385) 2.385 1.773 ( 0.000 0.000 4.232) 4.232 1.783 ( 0.000 0.000 0.220) 0.220 1.953 ( 0.000 0.000 2.971) 2.971 2.049 ( 0.000 0.000 0.518) 0.518 2.100 ( 0.000 0.000 0.118) 0.118 2.174 ( 0.000 0.000 -0.776) 0.776 2.264 ( 0.000 0.000 0.983) 0.983 2.373 ( 0.000 0.000 -0.042) 0.042 2.607 ( 0.000 0.000 8.887) 8.887 2.682 ( 0.000 0.000 -1.134) 1.134 2.749 ( 0.000 0.000 2.251) 2.251 3.324 ( 0.000 0.000 -0.460) 0.460 3.455 ( 0.000 0.000 0.684) 0.684 3.855 ( 0.000 0.000 -4.651) 4.651 4.288 ( 0.000 0.000 2.751) 2.751 4.526 ( 0.000 0.000 -3.765) 3.765 4.628 ( 0.000 0.000 -0.696) 0.696 6.555 ( 0.000 0.000 4.869) 4.869 7.695 ( 0.000 0.000 -7.360) 7.360 7.898 ( 0.000 0.000 2.116) 2.116 7.934 ( 0.000 0.000 3.584) 3.584 8.375 ( 0.000 0.000 10.624) 10.624 8.837 ( 0.000 0.000 7.438) 7.438 9.068 ( 0.000 0.000 4.301) 4.301 9.210 ( 0.000 0.000 4.652) 4.652 9.871 ( 0.000 0.000 -2.502) 2.502 10.048 ( 0.000 0.000 -2.518) 2.518 10.337 ( 0.000 0.000 -5.618) 5.618 10.460 ( 0.000 0.000 -5.894) 5.894 ======================= Grid point 92 (30/140) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 9.352 0.000 9.333) 13.212 0.526 ( 12.560 0.000 9.607) 15.813 0.871 ( -0.334 0.000 1.899) 1.928 0.964 ( 11.646 0.000 28.520) 30.806 1.211 ( -1.259 0.000 2.757) 3.031 1.459 ( 1.121 0.000 2.389) 2.639 1.594 ( -4.574 0.000 5.325) 7.020 1.739 ( -3.588 0.000 0.468) 3.618 1.790 ( 2.835 0.000 3.923) 4.840 2.042 ( 7.855 0.000 1.059) 7.926 2.076 ( 2.035 0.000 0.347) 2.065 2.108 ( 0.671 0.000 0.139) 0.685 2.151 ( -2.100 0.000 -0.638) 2.195 2.271 ( 0.626 0.000 0.937) 1.127 2.363 ( -0.834 0.000 0.062) 0.836 2.627 ( 2.031 0.000 8.336) 8.580 2.655 ( -2.112 0.000 -0.447) 2.159 2.767 ( 1.801 0.000 2.236) 2.871 3.284 ( -2.734 0.000 -0.079) 2.735 3.508 ( 4.070 0.000 0.121) 4.071 3.733 ( -9.961 0.000 -2.908) 10.376 4.251 ( -4.400 0.000 1.942) 4.810 4.524 ( -0.121 0.000 -3.832) 3.833 4.591 ( -2.492 0.000 -0.573) 2.557 6.680 ( 12.238 0.000 6.105) 13.676 7.746 ( 1.882 0.000 -5.831) 6.128 7.858 ( -3.780 0.000 1.434) 4.043 7.933 ( -0.775 0.000 0.050) 0.776 8.372 ( 0.051 0.000 10.542) 10.542 8.653 ( -9.292 0.000 16.921) 19.305 9.081 ( 1.191 0.000 4.319) 4.480 9.204 ( -0.560 0.000 4.621) 4.655 9.886 ( 1.399 0.000 -2.504) 2.869 10.040 ( -0.786 0.000 -2.519) 2.638 10.346 ( 0.803 0.000 -5.702) 5.758 10.454 ( -0.666 0.000 -5.827) 5.865 ======================= Grid point 93 (31/140) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 8.813 0.000 4.871) 10.069 0.734 ( 8.242 0.000 8.765) 12.032 0.849 ( -2.052 0.000 2.119) 2.949 1.061 ( -5.571 0.000 3.674) 6.674 1.307 ( 10.934 0.000 18.937) 21.867 1.496 ( 2.410 0.000 1.923) 3.083 1.541 ( -1.381 0.000 9.024) 9.129 1.650 ( -4.405 0.000 0.920) 4.500 1.879 ( 5.171 0.000 2.297) 5.658 2.087 ( -3.796 0.000 -0.196) 3.801 2.116 ( 1.440 0.000 0.153) 1.448 2.124 ( 0.745 0.000 0.176) 0.765 2.251 ( 10.769 0.000 -0.889) 10.805 2.289 ( 1.026 0.000 0.800) 1.301 2.340 ( -1.259 0.000 0.315) 1.298 2.592 ( -4.103 0.000 -0.681) 4.159 2.703 ( 4.857 0.000 6.212) 7.885 2.807 ( 1.401 0.000 1.968) 2.416 3.238 ( -0.915 0.000 0.242) 0.946 3.474 ( -11.014 0.000 -1.554) 11.123 3.639 ( 6.549 0.000 0.773) 6.594 4.080 ( -11.001 0.000 0.801) 11.031 4.526 ( 0.301 0.000 -3.035) 3.050 4.553 ( -1.096 0.000 -1.272) 1.679 7.026 ( 18.535 0.000 4.220) 19.010 7.709 ( -10.344 0.000 1.313) 10.427 7.767 ( 0.686 0.000 -0.553) 0.881 7.880 ( -3.669 0.000 0.778) 3.750 8.398 ( 2.444 0.000 9.016) 9.341 8.528 ( -3.619 0.000 12.922) 13.420 9.115 ( 1.830 0.000 4.371) 4.738 9.186 ( -1.199 0.000 4.544) 4.699 9.926 ( 2.192 0.000 -2.510) 3.332 10.015 ( -1.579 0.000 -2.519) 2.973 10.370 ( 1.340 0.000 -5.724) 5.879 10.432 ( -1.291 0.000 -5.752) 5.895 ======================= Grid point 94 (32/140) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -5.368 0.000 2.862) 6.083 0.772 ( 5.368 0.000 2.862) 6.083 0.905 ( -7.928 0.000 5.473) 9.634 0.905 ( 7.928 0.000 5.473) 9.634 1.482 ( -5.033 0.000 13.888) 14.772 1.482 ( 5.033 0.000 13.888) 14.772 1.562 ( -3.725 0.000 1.413) 3.984 1.562 ( 3.725 0.000 1.413) 3.984 1.992 ( -5.030 0.000 0.738) 5.084 1.992 ( 5.030 0.000 0.738) 5.084 2.133 ( -0.115 0.000 0.141) 0.182 2.133 ( 0.115 0.000 0.141) 0.182 2.313 ( -1.227 0.000 0.587) 1.360 2.313 ( 1.227 0.000 0.587) 1.360 2.462 ( -8.269 0.000 -1.296) 8.370 2.462 ( 8.269 0.000 -1.296) 8.370 2.798 ( -2.810 0.000 3.310) 4.341 2.798 ( 2.810 0.000 3.310) 4.341 3.281 ( -5.721 0.000 0.082) 5.722 3.281 ( 5.721 0.000 0.082) 5.722 3.832 ( -11.091 0.000 0.624) 11.108 3.832 ( 11.091 0.000 0.624) 11.108 4.536 ( -0.611 0.000 -2.210) 2.293 4.536 ( 0.611 0.000 -2.210) 2.293 7.413 ( -16.756 0.000 2.484) 16.939 7.413 ( 16.756 0.000 2.484) 16.939 7.806 ( -2.861 0.000 1.346) 3.162 7.806 ( 2.861 0.000 1.346) 3.162 8.460 ( -3.070 0.000 9.556) 10.037 8.460 ( 3.070 0.000 9.556) 10.037 9.154 ( -1.748 0.000 4.451) 4.782 9.154 ( 1.748 0.000 4.451) 4.782 9.974 ( -2.173 0.000 -2.516) 3.324 9.974 ( 2.173 0.000 -2.516) 3.324 10.401 ( -1.539 0.000 -5.740) 5.943 10.401 ( 1.539 0.000 -5.740) 5.943 ======================= Grid point 98 (33/140) ======================= q-point: ( 0.00 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 0.000 9.491 10.744) 14.335 0.553 ( 0.000 13.381 13.256) 18.835 1.033 ( 0.000 11.561 1.501) 11.658 1.046 ( 0.000 17.786 18.250) 25.484 1.212 ( 0.000 -0.564 1.918) 1.999 1.435 ( 0.000 -8.318 4.217) 9.326 1.711 ( 0.000 22.073 1.073) 22.099 1.746 ( 0.000 2.614 6.002) 6.547 1.882 ( 0.000 -0.023 -2.524) 2.524 2.036 ( 0.000 0.712 0.141) 0.726 2.100 ( 0.000 11.776 -0.090) 11.776 2.271 ( 0.000 6.763 -0.099) 6.764 2.289 ( 0.000 4.270 0.910) 4.366 2.307 ( 0.000 1.485 -0.319) 1.519 2.420 ( 0.000 17.914 0.036) 17.914 2.658 ( 0.000 6.811 10.384) 12.418 2.712 ( 0.000 3.159 -0.900) 3.284 2.796 ( 0.000 5.176 3.243) 6.108 3.318 ( 0.000 -0.641 -0.532) 0.834 3.435 ( 0.000 -1.790 0.868) 1.990 3.866 ( 0.000 1.345 -4.418) 4.618 4.276 ( 0.000 -0.758 3.138) 3.228 4.538 ( 0.000 1.513 -3.723) 4.018 4.636 ( 0.000 0.940 -0.742) 1.198 6.525 ( 0.000 -1.297 7.053) 7.171 7.675 ( 0.000 -2.027 -7.021) 7.308 7.894 ( 0.000 -0.442 1.540) 1.602 7.920 ( 0.000 -1.278 3.272) 3.512 8.418 ( 0.000 4.566 9.985) 10.979 8.569 ( 0.000 -4.776 15.616) 16.330 9.269 ( 0.000 5.798 4.655) 7.436 9.353 ( 0.000 10.817 -1.244) 10.888 9.820 ( 0.000 -4.587 -2.936) 5.446 9.952 ( 0.000 -7.710 -3.093) 8.307 10.420 ( 0.000 6.348 -4.993) 8.077 10.507 ( 0.000 4.195 -5.405) 6.842 ======================= Grid point 99 (34/140) ======================= q-point: ( 0.17 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 9.082 6.860 8.190) 14.022 0.663 ( 10.481 11.726 7.863) 17.583 1.028 ( -0.337 11.330 1.783) 11.475 1.104 ( 4.311 12.385 13.959) 19.153 1.186 ( -1.540 -1.113 4.781) 5.144 1.430 ( -0.104 -5.576 4.727) 7.310 1.721 ( 1.093 16.815 1.101) 16.887 1.791 ( 3.878 7.902 5.320) 10.285 1.930 ( 1.484 4.381 -3.539) 5.824 2.034 ( 2.492 0.017 0.727) 2.596 2.129 ( 2.046 8.939 0.458) 9.181 2.269 ( -0.081 7.752 0.054) 7.753 2.293 ( 0.466 3.099 0.932) 3.269 2.305 ( -0.179 4.027 0.102) 4.032 2.388 ( -2.066 17.053 1.343) 17.230 2.668 ( 0.627 4.146 6.211) 7.494 2.693 ( -1.023 5.399 2.858) 6.194 2.816 ( 1.635 4.797 2.355) 5.589 3.279 ( -2.571 -0.496 -0.097) 2.620 3.491 ( 4.247 -1.566 0.298) 4.536 3.744 ( -9.974 1.352 -2.721) 10.426 4.241 ( -4.372 -0.864 1.969) 4.872 4.537 ( -0.078 1.549 -3.718) 4.029 4.600 ( -2.370 1.177 -0.646) 2.724 6.669 ( 12.795 -0.714 6.093) 14.189 7.707 ( 1.973 -3.202 -5.400) 6.581 7.849 ( -4.316 -0.963 1.180) 4.577 7.915 ( -0.956 -1.492 1.573) 2.369 8.414 ( -0.049 4.532 9.963) 10.945 8.547 ( -1.556 -1.874 14.208) 14.415 9.266 ( -0.369 6.022 4.578) 7.573 9.293 ( -3.611 12.258 2.121) 12.954 9.834 ( 1.198 -4.769 -2.936) 5.727 9.949 ( -0.367 -7.424 -3.105) 8.056 10.424 ( 0.450 6.125 -5.041) 7.945 10.501 ( -0.567 4.231 -5.343) 6.839 ======================= Grid point 100 (35/140) ======================= q-point: ( 0.33 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 7.594 4.288 6.857) 11.094 0.855 ( 6.135 11.726 2.602) 13.488 1.011 ( -1.515 11.570 1.874) 11.818 1.057 ( -5.754 0.365 3.644) 6.820 1.295 ( 7.510 2.311 12.398) 14.678 1.433 ( 0.000 -2.761 6.251) 6.833 1.759 ( 2.475 14.399 0.667) 14.625 1.873 ( 0.140 12.047 0.390) 12.054 1.926 ( 2.871 7.158 3.037) 8.289 2.083 ( -0.834 5.140 -0.294) 5.215 2.224 ( 5.928 1.301 1.667) 6.293 2.275 ( 0.567 5.999 0.720) 6.068 2.304 ( 0.404 9.570 0.619) 9.598 2.322 ( 3.177 3.179 -0.301) 4.504 2.355 ( -0.674 13.941 1.585) 14.047 2.618 ( -4.489 2.633 -0.576) 5.236 2.743 ( 4.500 5.012 6.652) 9.467 2.850 ( 1.040 4.099 1.878) 4.628 3.238 ( -0.664 0.060 0.222) 0.703 3.482 ( -10.749 0.923 -1.629) 10.911 3.629 ( 6.335 -0.904 1.184) 6.508 4.070 ( -10.993 -0.988 0.986) 11.081 4.539 ( 0.288 1.586 -3.032) 3.434 4.564 ( -1.040 1.407 -1.332) 2.199 7.016 ( 18.276 -0.981 4.096) 18.755 7.692 ( -10.725 -1.784 1.255) 10.944 7.745 ( 1.875 -1.999 -1.640) 3.194 7.869 ( -3.161 -1.059 0.817) 3.433 8.431 ( 1.682 3.803 9.055) 9.965 8.515 ( -1.578 0.993 11.216) 11.370 9.244 ( -0.847 10.304 3.946) 11.067 9.256 ( -0.631 6.759 4.600) 8.200 9.867 ( 1.807 -5.277 -2.949) 6.309 9.934 ( -1.038 -6.775 -3.045) 7.500 10.438 ( 0.857 5.602 -5.118) 7.636 10.483 ( -1.022 4.489 -5.257) 6.988 ======================= Grid point 101 (36/140) ======================= q-point: (-0.50 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -5.871 2.296 3.508) 7.214 0.884 ( 5.871 2.296 3.508) 7.214 0.974 ( -2.002 11.066 3.209) 11.695 0.974 ( 2.002 11.066 3.209) 11.695 1.407 ( -2.907 -0.965 8.659) 9.185 1.407 ( 2.907 -0.965 8.659) 9.185 1.821 ( -3.110 12.591 0.215) 12.972 1.821 ( 3.110 12.591 0.215) 12.972 2.025 ( -4.185 8.003 2.479) 9.365 2.025 ( 4.185 8.003 2.479) 9.365 2.278 ( -0.553 1.286 1.297) 1.908 2.278 ( 0.553 1.286 1.297) 1.908 2.324 ( -1.196 13.992 1.216) 14.096 2.324 ( 1.196 13.992 1.216) 14.096 2.482 ( -8.034 2.022 -0.912) 8.334 2.482 ( 8.034 2.022 -0.912) 8.334 2.836 ( -2.886 3.928 3.097) 5.775 2.836 ( 2.886 3.928 3.097) 5.775 3.286 ( -5.962 0.724 0.077) 6.007 3.286 ( 5.962 0.724 0.077) 6.007 3.822 ( -11.113 -0.955 0.911) 11.191 3.822 ( 11.113 -0.955 0.911) 11.191 4.548 ( -0.569 1.519 -2.245) 2.770 4.548 ( 0.569 1.519 -2.245) 2.770 7.396 ( -16.530 -1.582 2.445) 16.785 7.396 ( 16.530 -1.582 2.445) 16.785 7.798 ( -3.117 -0.900 0.316) 3.260 7.798 ( 3.117 -0.900 0.316) 3.260 8.475 ( -2.132 2.468 9.242) 9.800 8.475 ( 2.132 2.468 9.242) 9.800 9.243 ( -0.463 8.066 4.415) 9.207 9.243 ( 0.463 8.066 4.415) 9.207 9.905 ( -1.656 -6.001 -2.985) 6.904 9.905 ( 1.656 -6.001 -2.985) 6.904 10.460 ( -1.110 4.983 -5.191) 7.281 10.460 ( 1.110 4.983 -5.191) 7.281 ======================= Grid point 105 (37/140) ======================= q-point: ( 0.00 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 0.000 13.966 5.673) 15.074 0.758 ( 0.000 8.541 10.948) 13.886 1.176 ( 0.000 1.882 1.120) 2.190 1.203 ( 0.000 0.071 1.488) 1.490 1.288 ( 0.000 6.146 -0.303) 6.153 1.381 ( 0.000 0.786 2.430) 2.554 1.832 ( 0.000 2.616 6.074) 6.614 1.904 ( 0.000 4.187 -2.255) 4.755 2.057 ( 0.000 7.850 -1.821) 8.059 2.087 ( 0.000 4.100 -0.249) 4.107 2.130 ( 0.000 -3.811 3.043) 4.877 2.380 ( 0.000 3.160 -3.431) 4.664 2.437 ( 0.000 13.502 0.208) 13.503 2.456 ( 0.000 9.558 0.857) 9.597 2.804 ( 0.000 5.785 -0.388) 5.798 2.849 ( 0.000 12.935 -0.135) 12.936 2.878 ( 0.000 18.141 3.274) 18.434 3.054 ( 0.000 25.703 10.718) 27.848 3.297 ( 0.000 -1.541 -0.668) 1.680 3.414 ( 0.000 1.823 2.260) 2.904 3.921 ( 0.000 4.620 -3.500) 5.796 4.264 ( 0.000 -0.484 2.829) 2.870 4.602 ( 0.000 5.446 -3.390) 6.415 4.675 ( 0.000 3.410 -0.927) 3.534 6.522 ( 0.000 0.974 6.307) 6.382 7.617 ( 0.000 -3.834 -5.907) 7.042 7.877 ( 0.000 -1.310 0.764) 1.517 7.892 ( 0.000 -1.365 2.248) 2.630 8.561 ( 0.000 10.247 7.639) 12.781 8.636 ( 0.000 9.469 7.702) 12.206 9.420 ( 0.000 9.034 4.636) 10.154 9.523 ( 0.000 7.792 3.040) 8.364 9.719 ( 0.000 -5.118 -3.547) 6.228 9.798 ( 0.000 -7.481 -3.379) 8.208 10.537 ( 0.000 5.133 -4.458) 6.798 10.596 ( 0.000 4.379 -4.639) 6.379 ======================= Grid point 106 (38/140) ======================= q-point: ( 0.17 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 5.264 9.470 4.779) 11.842 0.844 ( 9.180 7.918 8.572) 14.847 1.153 ( -3.468 -0.650 2.147) 4.131 1.177 ( -0.290 3.228 1.605) 3.616 1.302 ( 1.339 5.030 0.139) 5.207 1.393 ( 1.032 0.491 2.712) 2.943 1.874 ( 2.920 5.699 6.652) 9.234 1.958 ( 4.352 0.605 -4.997) 6.654 2.067 ( -0.385 5.318 -0.902) 5.408 2.075 ( 1.175 4.105 -0.205) 4.275 2.156 ( 2.148 -2.053 2.935) 4.176 2.384 ( 0.632 5.186 -2.338) 5.724 2.451 ( -0.462 9.509 0.699) 9.546 2.476 ( 3.513 13.161 -0.486) 13.630 2.754 ( -3.433 6.105 1.091) 7.089 2.855 ( -0.183 21.551 0.187) 21.553 2.901 ( 1.876 9.520 1.755) 9.861 3.036 ( -1.652 24.250 10.118) 26.329 3.271 ( -1.551 0.341 -0.066) 1.590 3.466 ( 4.141 0.604 1.565) 4.468 3.800 ( -9.855 4.781 -1.898) 11.117 4.222 ( -4.893 -1.043 2.035) 5.401 4.601 ( -0.004 5.492 -3.335) 6.426 4.649 ( -1.711 4.169 -0.936) 4.603 6.664 ( 12.389 0.415 5.401) 13.522 7.639 ( 1.925 -3.761 -4.934) 6.496 7.820 ( -5.100 -1.885 0.989) 5.527 7.885 ( -1.100 -1.442 1.391) 2.286 8.558 ( -0.110 10.338 7.679) 12.878 8.631 ( -0.444 9.495 7.513) 12.116 9.419 ( -0.061 9.111 4.614) 10.213 9.494 ( -2.213 8.927 3.568) 9.865 9.729 ( 0.855 -5.311 -3.511) 6.424 9.799 ( 0.012 -7.286 -3.363) 8.025 10.539 ( 0.204 5.046 -4.458) 6.736 10.591 ( -0.506 4.371 -4.600) 6.366 ======================= Grid point 107 (39/140) ======================= q-point: ( 0.33 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 4.174 4.910 4.786) 8.027 0.990 ( -0.189 2.884 1.797) 3.403 1.108 ( 1.818 4.425 5.065) 6.967 1.174 ( -0.207 4.674 1.717) 4.984 1.349 ( 2.970 1.720 1.962) 3.953 1.414 ( 0.598 -0.042 3.341) 3.395 1.932 ( 2.299 6.665 2.329) 7.425 2.001 ( -0.741 3.227 -1.060) 3.476 2.082 ( 2.049 0.419 -0.547) 2.161 2.121 ( 1.387 -1.008 -1.271) 2.134 2.247 ( 6.844 2.744 1.237) 7.477 2.416 ( 2.159 5.967 -1.144) 6.448 2.433 ( -0.898 10.594 0.425) 10.641 2.573 ( 3.843 11.501 -0.682) 12.146 2.681 ( -2.006 9.466 2.862) 10.091 2.840 ( -1.670 23.288 0.773) 23.360 2.939 ( 1.484 8.899 1.187) 9.099 2.992 ( -2.007 17.524 7.513) 19.172 3.258 ( 0.842 3.508 0.542) 3.648 3.515 ( -6.685 2.233 -2.140) 7.366 3.630 ( 2.389 2.800 3.337) 4.969 4.045 ( -10.963 -1.436 1.754) 11.195 4.604 ( 0.248 5.516 -2.851) 6.214 4.623 ( -0.757 5.008 -1.524) 5.289 6.995 ( 17.358 -0.876 3.722) 17.774 7.646 ( -10.018 -2.591 0.812) 10.380 7.699 ( 2.236 -2.696 -2.356) 4.221 7.842 ( -2.878 -1.596 0.215) 3.297 8.565 ( 0.817 10.118 7.480) 12.609 8.616 ( -0.985 9.426 7.250) 11.933 9.418 ( 0.095 9.395 4.559) 10.443 9.450 ( -1.664 9.962 4.217) 10.945 9.752 ( 1.241 -5.797 -3.438) 6.853 9.794 ( -0.493 -6.873 -3.344) 7.659 10.546 ( 0.474 4.827 -4.461) 6.590 10.576 ( -0.796 4.418 -4.531) 6.378 ======================= Grid point 108 (40/140) ======================= q-point: (-0.50 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -4.573 1.852 3.226) 5.895 0.914 ( 4.573 1.852 3.226) 5.895 1.158 ( -1.511 6.359 2.415) 6.968 1.158 ( 1.511 6.359 2.415) 6.968 1.405 ( -1.682 -0.112 3.429) 3.821 1.405 ( 1.682 -0.112 3.429) 3.821 1.972 ( -1.606 5.401 0.103) 5.635 1.972 ( 1.606 5.401 0.103) 5.635 2.120 ( -1.167 -1.643 -0.206) 2.026 2.120 ( 1.167 -1.643 -0.206) 2.026 2.376 ( -3.992 8.232 -0.641) 9.172 2.376 ( 3.992 8.232 -0.641) 9.172 2.516 ( -5.866 3.837 0.292) 7.016 2.516 ( 5.866 3.837 0.292) 7.016 2.760 ( -5.642 22.260 2.973) 23.155 2.760 ( 5.642 22.260 2.973) 23.155 2.964 ( -0.934 9.849 2.524) 10.210 2.964 ( 0.934 9.849 2.524) 10.210 3.333 ( -6.657 5.499 0.036) 8.635 3.333 ( 6.657 5.499 0.036) 8.635 3.802 ( -10.748 -0.643 2.326) 11.015 3.802 ( 10.748 -0.643 2.326) 11.015 4.611 ( -0.422 5.360 -2.244) 5.826 4.611 ( 0.422 5.360 -2.244) 5.826 7.359 ( -15.902 -2.042 2.274) 16.193 7.359 ( 15.902 -2.042 2.274) 16.193 7.770 ( -3.621 -1.891 -1.083) 4.226 7.770 ( 3.621 -1.891 -1.083) 4.226 8.590 ( -1.352 9.591 7.225) 12.083 8.590 ( 1.352 9.591 7.225) 12.083 9.426 ( -0.652 9.838 4.474) 10.827 9.426 ( 0.652 9.838 4.474) 10.827 9.778 ( -1.039 -6.368 -3.371) 7.280 9.778 ( 1.039 -6.368 -3.371) 7.280 10.559 ( -0.743 4.582 -4.481) 6.452 10.559 ( 0.743 4.582 -4.481) 6.452 ======================= Grid point 112 (41/140) ======================= q-point: ( 0.00 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.000 14.334 2.878) 14.620 0.900 ( 0.000 6.173 4.750) 7.789 1.159 ( 0.000 -2.021 0.798) 2.172 1.205 ( 0.000 -0.070 1.588) 1.590 1.349 ( 0.000 0.397 -1.372) 1.429 1.431 ( 0.000 4.837 1.014) 4.942 1.844 ( 0.000 0.181 -0.880) 0.898 1.929 ( 0.000 -3.118 -1.454) 3.440 2.086 ( 0.000 -1.444 -2.343) 2.752 2.136 ( 0.000 4.515 4.733) 6.541 2.155 ( 0.000 1.698 -0.467) 1.761 2.400 ( 0.000 -0.107 -1.588) 1.592 2.581 ( 0.000 3.795 0.603) 3.842 2.695 ( 0.000 8.508 -3.770) 9.306 2.907 ( 0.000 4.274 0.754) 4.340 2.968 ( 0.000 4.361 -0.383) 4.377 3.104 ( 0.000 -0.255 0.077) 0.266 3.255 ( 0.000 -2.852 -0.725) 2.943 3.619 ( 0.000 29.579 5.181) 30.029 3.696 ( 0.000 25.394 6.086) 26.113 4.036 ( 0.000 6.212 -1.924) 6.503 4.260 ( 0.000 0.317 3.035) 3.051 4.756 ( 0.000 9.819 -2.590) 10.154 4.781 ( 0.000 7.527 -1.157) 7.615 6.564 ( 0.000 3.366 5.082) 6.096 7.528 ( 0.000 -5.133 -4.296) 6.694 7.847 ( 0.000 -1.501 0.437) 1.564 7.875 ( 0.000 -0.233 0.818) 0.851 8.817 ( 0.000 15.691 3.965) 16.184 8.895 ( 0.000 16.410 2.392) 16.583 9.601 ( 0.000 9.048 4.454) 10.085 9.638 ( 0.000 -2.851 -3.838) 4.781 9.670 ( 0.000 7.136 4.868) 8.638 9.676 ( 0.000 -4.666 -3.299) 5.715 10.607 ( 0.000 1.795 -3.897) 4.291 10.660 ( 0.000 1.844 -4.033) 4.434 ======================= Grid point 113 (42/140) ======================= q-point: ( 0.17 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.502 6.748 3.323) 7.539 1.014 ( 7.618 9.909 3.350) 12.940 1.144 ( -2.641 -0.315 0.911) 2.811 1.184 ( 0.407 -1.214 2.202) 2.548 1.350 ( 0.161 0.377 -1.169) 1.239 1.437 ( 0.482 4.413 1.359) 4.642 1.913 ( 5.548 -0.104 -0.149) 5.551 1.942 ( 1.152 -3.021 -1.638) 3.625 2.087 ( -0.033 -1.399 -1.955) 2.405 2.125 ( -1.363 2.217 0.459) 2.643 2.184 ( 3.293 3.118 1.942) 4.933 2.427 ( 2.514 0.786 -0.889) 2.781 2.580 ( -0.206 3.477 0.662) 3.545 2.713 ( 1.426 7.643 -4.420) 8.943 2.871 ( -2.072 5.684 1.856) 6.328 2.995 ( 1.669 3.646 -0.703) 4.071 3.109 ( 0.425 0.809 0.195) 0.934 3.269 ( 1.478 -1.575 -1.309) 2.525 3.589 ( -3.388 27.110 6.501) 28.083 3.689 ( -0.734 22.282 3.227) 22.527 3.937 ( -7.231 9.587 0.232) 12.011 4.205 ( -5.647 -0.331 2.943) 6.377 4.756 ( 0.063 9.860 -2.517) 10.177 4.773 ( -0.471 8.455 -1.223) 8.556 6.691 ( 11.126 2.471 4.422) 12.225 7.558 ( 2.624 -4.590 -3.873) 6.554 7.784 ( -5.616 -1.615 0.726) 5.888 7.864 ( -1.427 -0.609 0.329) 1.586 8.816 ( 0.040 15.830 4.013) 16.331 8.889 ( -0.604 16.296 2.597) 16.513 9.599 ( -0.132 8.650 4.191) 9.613 9.641 ( -0.449 0.456 -1.056) 1.235 9.649 ( -0.292 1.189 0.146) 1.233 9.690 ( 0.410 -1.368 -1.005) 1.746 10.608 ( 0.103 1.761 -3.882) 4.264 10.654 ( -0.547 1.798 -3.997) 4.417 ======================= Grid point 114 (43/140) ======================= q-point: ( 0.33 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 1.535 4.730 2.874) 5.743 1.038 ( -3.838 2.497 1.508) 4.821 1.181 ( 3.794 1.568 1.481) 4.364 1.214 ( 1.739 1.101 2.268) 3.062 1.369 ( 2.011 1.098 0.334) 2.315 1.444 ( -0.151 3.439 1.983) 3.973 1.975 ( 1.887 -2.299 -1.734) 3.443 2.026 ( 4.067 -0.259 1.053) 4.209 2.069 ( -1.929 -0.343 -1.414) 2.417 2.100 ( -0.589 -0.618 -0.027) 0.854 2.300 ( 7.541 2.158 -1.218) 7.938 2.495 ( 3.032 2.583 -0.328) 3.997 2.568 ( -0.780 2.914 0.763) 3.111 2.702 ( -3.557 4.625 -2.142) 6.215 2.892 ( 5.154 8.690 1.357) 10.194 3.024 ( 0.898 3.261 -0.958) 3.516 3.121 ( 0.815 2.827 0.758) 3.038 3.312 ( 0.638 6.908 -1.955) 7.208 3.464 ( -5.807 10.726 5.113) 13.225 3.647 ( -3.835 16.760 -3.074) 17.466 3.832 ( -1.282 18.546 6.427) 19.669 4.033 ( -9.263 1.815 4.546) 10.476 4.759 ( 0.197 9.942 -2.221) 10.189 4.767 ( -0.178 9.415 -1.587) 9.550 6.991 ( 15.856 0.639 3.127) 16.174 7.602 ( -8.783 -1.766 0.212) 8.961 7.639 ( 2.152 -3.301 -1.874) 4.363 7.813 ( -3.285 -1.250 -0.519) 3.553 8.823 ( 0.662 15.984 3.980) 16.485 8.870 ( -1.125 16.083 3.105) 16.419 9.598 ( 0.055 7.987 3.818) 8.852 9.619 ( -0.978 5.927 2.979) 6.706 9.662 ( 0.843 -2.522 -2.707) 3.795 9.691 ( -0.286 -2.112 -1.667) 2.706 10.612 ( 0.339 1.692 -3.857) 4.226 10.639 ( -0.795 1.710 -3.921) 4.351 ======================= Grid point 115 (44/140) ======================= q-point: (-0.50 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -2.936 3.039 2.341) 4.830 0.963 ( 2.936 3.039 2.341) 4.830 1.224 ( -0.878 0.587 0.850) 1.355 1.224 ( 0.878 0.587 0.850) 1.355 1.421 ( -2.060 2.542 2.083) 3.878 1.421 ( 2.060 2.542 2.083) 3.878 2.020 ( -2.293 -0.806 -1.420) 2.815 2.020 ( 2.293 -0.806 -1.420) 2.815 2.082 ( -1.413 -1.116 0.520) 1.874 2.082 ( 1.413 -1.116 0.520) 1.874 2.464 ( -6.148 1.265 -2.950) 6.935 2.464 ( 6.148 1.265 -2.950) 6.935 2.605 ( -4.176 4.691 1.911) 6.564 2.605 ( 4.176 4.691 1.911) 6.564 3.012 ( -3.225 5.333 -0.686) 6.270 3.012 ( 3.225 5.333 -0.686) 6.270 3.185 ( -6.871 8.707 2.545) 11.380 3.185 ( 6.871 8.707 2.545) 11.380 3.522 ( -7.066 8.275 -3.338) 11.382 3.522 ( 7.066 8.275 -3.338) 11.382 3.873 ( -4.886 12.422 7.108) 15.123 3.873 ( 4.886 12.422 7.108) 15.123 4.763 ( -0.164 9.817 -1.931) 10.007 4.763 ( 0.164 9.817 -1.931) 10.007 7.327 ( -14.959 -0.936 1.930) 15.112 7.327 ( 14.959 -0.936 1.930) 15.112 7.729 ( -4.374 -2.167 -1.581) 5.131 7.729 ( 4.374 -2.167 -1.581) 5.131 8.844 ( -1.216 15.991 3.652) 16.448 8.844 ( 1.216 15.991 3.652) 16.448 9.603 ( -0.487 7.226 3.494) 8.041 9.603 ( 0.487 7.226 3.494) 8.041 9.679 ( -0.739 -2.533 -2.253) 3.470 9.679 ( 0.739 -2.533 -2.253) 3.470 10.623 ( -0.658 1.662 -3.864) 4.258 10.623 ( 0.658 1.662 -3.864) 4.258 ======================= Grid point 119 (45/140) ======================= q-point: ( 0.00 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.000 4.621 1.226) 4.781 1.090 ( 0.000 -0.230 0.077) 0.242 1.177 ( 0.000 5.461 2.699) 6.091 1.236 ( 0.000 7.602 0.811) 7.645 1.337 ( 0.000 -1.136 -1.255) 1.693 1.533 ( 0.000 4.648 0.656) 4.694 1.860 ( 0.000 1.660 -2.762) 3.222 1.876 ( 0.000 -0.841 -0.042) 0.843 2.028 ( 0.000 -4.246 -3.309) 5.384 2.163 ( 0.000 -0.636 0.425) 0.765 2.196 ( 0.000 -0.104 0.237) 0.259 2.417 ( 0.000 2.853 0.118) 2.855 2.576 ( 0.000 -4.414 -0.918) 4.509 2.777 ( 0.000 1.118 -6.068) 6.170 2.970 ( 0.000 2.454 1.202) 2.733 3.001 ( 0.000 -2.783 -2.061) 3.463 3.069 ( 0.000 0.584 1.136) 1.277 3.184 ( 0.000 -4.346 -0.738) 4.408 4.127 ( 0.000 13.520 -2.902) 13.828 4.133 ( 0.000 3.556 -0.753) 3.635 4.164 ( 0.000 23.495 6.327) 24.332 4.330 ( 0.000 11.811 6.391) 13.430 4.935 ( 0.000 7.814 -1.819) 8.023 4.954 ( 0.000 8.623 -1.028) 8.684 6.655 ( 0.000 5.991 3.642) 7.012 7.419 ( 0.000 -6.078 -2.869) 6.721 7.826 ( 0.000 -0.556 0.183) 0.585 7.881 ( 0.000 0.703 -0.316) 0.771 9.160 ( 0.000 18.977 0.091) 18.977 9.251 ( 0.000 19.320 -1.509) 19.378 9.614 ( 0.000 0.251 -3.581) 3.589 9.625 ( 0.000 -0.196 -3.024) 3.031 9.756 ( 0.000 6.535 4.353) 7.852 9.796 ( 0.000 5.721 5.675) 8.058 10.599 ( 0.000 -2.741 -3.176) 4.195 10.658 ( 0.000 -2.261 -3.465) 4.138 ======================= Grid point 120 (46/140) ======================= q-point: ( 0.17 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -0.268 4.423 1.292) 4.616 1.113 ( 1.732 -1.244 0.127) 2.136 1.168 ( -2.950 0.624 1.486) 3.362 1.227 ( 1.211 7.649 1.640) 7.916 1.361 ( 2.364 2.806 -0.518) 3.705 1.533 ( -0.059 4.556 0.869) 4.639 1.889 ( 1.602 -0.818 -1.956) 2.657 1.921 ( 4.410 0.700 -0.425) 4.485 2.032 ( 0.325 -4.035 -2.966) 5.019 2.136 ( -2.245 -0.715 -0.043) 2.356 2.218 ( 2.118 -1.087 -0.493) 2.431 2.464 ( 4.075 3.772 0.571) 5.582 2.568 ( -0.683 -4.512 -0.894) 4.650 2.798 ( 1.592 2.158 -5.919) 6.498 2.953 ( -0.869 2.725 1.639) 3.296 3.022 ( 1.717 -1.647 -2.255) 3.278 3.089 ( 1.613 -0.185 1.225) 2.034 3.201 ( 1.912 -4.634 -1.236) 5.163 3.927 ( -13.298 7.224 2.100) 15.279 4.068 ( -6.505 9.040 -4.115) 11.873 4.239 ( 2.022 18.597 4.371) 19.210 4.295 ( -2.291 16.300 7.036) 17.901 4.941 ( 0.460 8.196 -1.714) 8.386 4.955 ( 0.085 8.686 -1.091) 8.755 6.764 ( 9.601 5.066 3.213) 11.321 7.460 ( 3.649 -5.461 -2.680) 7.094 7.764 ( -5.635 -0.350 0.345) 5.657 7.861 ( -2.067 0.162 -0.518) 2.137 9.162 ( 0.213 19.056 0.136) 19.058 9.243 ( -0.748 19.258 -1.269) 19.314 9.616 ( 0.184 0.189 -3.476) 3.486 9.625 ( -0.041 -0.136 -2.988) 2.991 9.756 ( -0.030 6.467 4.405) 7.824 9.790 ( -0.507 5.714 5.516) 7.959 10.600 ( 0.079 -2.740 -3.165) 4.187 10.651 ( -0.638 -2.319 -3.418) 4.180 ======================= Grid point 121 (47/140) ======================= q-point: ( 0.33 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 0.487 4.006 1.453) 4.289 1.086 ( -3.504 2.305 1.373) 4.413 1.161 ( 2.203 -1.798 0.117) 2.846 1.237 ( -0.649 0.067 0.574) 0.869 1.435 ( 3.859 6.073 1.125) 7.283 1.527 ( -0.591 4.574 1.285) 4.788 1.933 ( 2.554 -0.991 -1.676) 3.211 2.004 ( 2.309 -1.445 -0.777) 2.833 2.039 ( 0.243 -2.965 -1.792) 3.473 2.080 ( -2.597 -1.387 -0.214) 2.952 2.301 ( 5.807 -2.572 -2.052) 6.674 2.517 ( -1.860 -3.276 -2.286) 4.407 2.593 ( 4.948 3.668 1.903) 6.446 2.797 ( -2.650 5.057 -2.104) 6.084 2.991 ( 4.896 2.288 -0.576) 5.435 3.056 ( 1.167 0.327 -1.973) 2.315 3.132 ( 2.947 -0.604 1.599) 3.407 3.296 ( 7.572 -4.504 -2.593) 9.184 3.609 ( -15.512 4.792 2.342) 16.403 3.845 ( -13.545 0.777 -3.638) 14.046 4.259 ( 0.242 20.786 5.008) 21.382 4.264 ( -0.614 21.632 6.276) 22.532 4.951 ( 0.386 8.601 -1.547) 8.747 4.957 ( 0.063 8.779 -1.235) 8.866 7.027 ( 14.053 3.112 2.316) 14.579 7.560 ( 4.662 -3.643 -2.188) 6.309 7.593 ( -9.457 -0.244 0.756) 9.491 7.793 ( -4.243 -0.924 -0.981) 4.452 9.172 ( 0.746 19.160 0.134) 19.175 9.221 ( -1.243 19.170 -0.698) 19.223 9.621 ( 0.189 0.040 -3.252) 3.258 9.624 ( -0.016 -0.062 -2.995) 2.996 9.757 ( 0.144 6.282 4.587) 7.780 9.777 ( -0.695 5.780 5.174) 7.789 10.604 ( 0.342 -2.711 -3.158) 4.176 10.634 ( -0.912 -2.462 -3.307) 4.223 ======================= Grid point 122 (48/140) ======================= q-point: (-0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -1.948 3.304 1.547) 4.135 1.026 ( 1.948 3.304 1.547) 4.135 1.207 ( -1.949 -1.592 0.065) 2.518 1.207 ( 1.949 -1.592 0.065) 2.518 1.500 ( -2.079 5.173 1.534) 5.783 1.500 ( 2.079 5.173 1.534) 5.783 1.992 ( -2.651 -1.103 -1.833) 3.406 1.992 ( 2.651 -1.103 -1.833) 3.406 2.048 ( -0.714 -2.774 -0.298) 2.880 2.048 ( 0.714 -2.774 -0.298) 2.880 2.434 ( -5.616 -4.177 -2.740) 7.516 2.434 ( 5.616 -4.177 -2.740) 7.516 2.707 ( -5.150 5.834 1.075) 7.856 2.707 ( 5.150 5.834 1.075) 7.856 3.063 ( -0.872 0.963 -1.668) 2.115 3.063 ( 0.872 0.963 -1.668) 2.115 3.288 ( -11.804 2.686 1.738) 12.230 3.288 ( 11.804 2.686 1.738) 12.230 3.543 ( -13.290 -2.975 -2.849) 13.914 3.543 ( 13.290 -2.975 -2.849) 13.914 4.260 ( -0.040 22.014 5.527) 22.698 4.260 ( 0.040 22.014 5.527) 22.698 4.956 ( -0.132 8.762 -1.393) 8.873 4.956 ( 0.132 8.762 -1.393) 8.873 7.329 ( -13.711 1.287 1.417) 13.844 7.329 ( 13.711 1.287 1.417) 13.844 7.686 ( -5.625 -2.382 -1.561) 6.305 7.686 ( 5.625 -2.382 -1.561) 6.305 9.194 ( -1.240 19.164 -0.141) 19.204 9.194 ( 1.240 19.164 -0.141) 19.204 9.624 ( -0.068 -0.046 -3.085) 3.087 9.624 ( 0.068 -0.046 -3.085) 3.087 9.763 ( -0.496 6.009 4.854) 7.740 9.763 ( 0.496 6.009 4.854) 7.740 10.616 ( -0.728 -2.615 -3.203) 4.198 10.616 ( 0.728 -2.615 -3.203) 4.198 ======================= Grid point 126 (49/140) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.000 -0.684 1.033) 1.239 1.073 ( 0.000 2.038 0.235) 2.051 1.218 ( 0.000 1.516 0.641) 1.646 1.312 ( 0.000 -1.326 -1.064) 1.700 1.484 ( 0.000 13.645 0.700) 13.663 1.604 ( 0.000 3.219 0.032) 3.219 1.907 ( 0.000 3.537 -0.635) 3.593 1.924 ( 0.000 5.043 -2.815) 5.775 1.927 ( 0.000 -5.948 -3.536) 6.919 2.128 ( 0.000 -6.066 -1.106) 6.166 2.133 ( 0.000 -2.409 0.734) 2.518 2.435 ( 0.000 -9.083 -2.421) 9.400 2.504 ( 0.000 5.176 -0.641) 5.215 2.756 ( 0.000 -2.920 -5.759) 6.457 2.930 ( 0.000 -2.781 -1.869) 3.350 3.017 ( 0.000 2.180 0.064) 2.181 3.091 ( 0.000 -4.802 -0.391) 4.818 3.094 ( 0.000 0.959 0.437) 1.054 4.180 ( 0.000 1.442 -0.267) 1.466 4.202 ( 0.000 0.538 -0.703) 0.886 4.578 ( 0.000 17.941 2.733) 18.148 4.662 ( 0.000 16.430 3.616) 16.823 5.042 ( 0.000 2.505 -1.039) 2.712 5.068 ( 0.000 2.591 -0.675) 2.678 6.795 ( 0.000 8.093 2.030) 8.344 7.289 ( 0.000 -7.232 -1.798) 7.452 7.829 ( 0.000 0.814 -0.208) 0.840 7.892 ( 0.000 0.142 -0.899) 0.911 9.530 ( 0.000 17.626 -3.969) 18.067 9.610 ( 0.000 15.446 -5.113) 16.271 9.644 ( 0.000 2.883 -2.435) 3.774 9.664 ( 0.000 3.449 -3.114) 4.646 9.859 ( 0.000 4.794 5.505) 7.300 9.901 ( 0.000 5.975 6.107) 8.544 10.496 ( 0.000 -7.916 -2.179) 8.210 10.566 ( 0.000 -7.241 -2.707) 7.730 ======================= Grid point 127 (50/140) ======================= q-point: ( 0.17 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -0.109 1.663 0.580) 1.765 1.094 ( 1.427 -0.216 0.626) 1.573 1.189 ( -2.470 1.442 0.880) 2.992 1.276 ( -2.541 -0.514 -0.574) 2.655 1.526 ( 3.083 11.495 0.606) 11.916 1.609 ( 0.381 3.646 0.328) 3.681 1.914 ( 0.410 0.424 -2.803) 2.865 1.937 ( 1.336 -1.382 -1.830) 2.654 1.959 ( 2.306 1.881 -1.660) 3.407 2.105 ( -2.050 -2.509 -0.682) 3.311 2.142 ( 1.369 -5.809 -0.677) 6.007 2.425 ( -0.988 -8.853 -2.521) 9.258 2.569 ( 5.589 5.785 -0.105) 8.044 2.802 ( 4.268 -1.540 -5.659) 7.254 2.964 ( 3.011 -2.716 -2.204) 4.615 3.004 ( -0.911 2.553 0.772) 2.818 3.097 ( 0.231 -1.747 0.069) 1.763 3.103 ( 1.423 -3.153 -0.509) 3.496 4.011 ( -13.265 2.643 0.695) 13.544 4.102 ( -9.950 -0.801 -1.240) 10.059 4.606 ( 1.772 17.119 2.663) 17.416 4.658 ( -0.275 16.671 3.444) 17.025 5.052 ( 0.765 2.664 -1.033) 2.958 5.069 ( 0.136 2.585 -0.663) 2.672 6.886 ( 8.138 7.275 1.815) 11.066 7.342 ( 4.707 -6.630 -1.709) 8.309 7.772 ( -5.205 1.149 -0.095) 5.331 7.861 ( -2.927 -0.381 -0.954) 3.102 9.532 ( 0.217 17.538 -3.922) 17.973 9.600 ( -0.778 15.177 -4.846) 15.951 9.647 ( 0.191 3.135 -2.416) 3.962 9.663 ( -0.108 3.529 -3.131) 4.719 9.858 ( -0.066 4.785 5.521) 7.307 9.894 ( -0.588 5.867 6.060) 8.455 10.497 ( 0.110 -7.890 -2.180) 8.187 10.558 ( -0.738 -7.293 -2.646) 7.793 ======================= Grid point 128 (51/140) ======================= q-point: ( 0.33 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.439 2.468 0.677) 2.596 1.125 ( -0.798 1.076 0.656) 1.491 1.135 ( 0.149 -0.082 0.863) 0.879 1.224 ( -2.273 -1.087 -0.020) 2.520 1.586 ( 2.184 8.691 0.800) 8.996 1.617 ( 0.323 4.888 0.885) 4.978 1.933 ( 1.369 -2.398 -2.896) 4.001 1.966 ( 1.418 -0.257 -1.430) 2.030 1.987 ( 0.012 -1.113 -0.891) 1.426 2.052 ( -2.722 -1.157 -1.322) 3.239 2.212 ( 4.905 -5.936 -1.874) 7.925 2.390 ( -2.435 -8.354 -2.728) 9.119 2.706 ( 6.458 6.760 0.491) 9.362 2.888 ( 0.378 4.009 -3.209) 5.149 3.018 ( 4.357 1.037 -0.956) 4.579 3.043 ( 3.305 -1.566 -1.610) 3.996 3.107 ( 2.025 -1.973 1.059) 3.019 3.193 ( 8.322 -5.315 -1.829) 10.042 3.674 ( -17.160 2.420 1.185) 17.371 3.814 ( -16.010 -2.575 -1.438) 16.279 4.634 ( 0.831 16.863 2.750) 17.106 4.652 ( -0.276 16.876 3.205) 17.180 5.066 ( 0.482 2.774 -0.991) 2.985 5.072 ( 0.125 2.619 -0.693) 2.712 7.111 ( 12.195 5.445 1.315) 13.420 7.473 ( 7.174 -5.134 -1.511) 8.951 7.613 ( -9.504 2.037 0.245) 9.723 7.769 ( -5.559 -1.647 -1.095) 5.901 9.540 ( 0.611 17.184 -3.869) 17.624 9.580 ( -1.065 15.630 -4.381) 16.267 9.651 ( 0.181 3.021 -2.437) 3.885 9.660 ( -0.200 3.462 -3.010) 4.592 9.858 ( 0.131 4.871 5.600) 7.423 9.879 ( -0.773 5.563 5.932) 8.169 10.502 ( 0.435 -7.797 -2.215) 8.117 10.538 ( -1.072 -7.437 -2.492) 7.916 ======================= Grid point 129 (52/140) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -1.420 2.557 0.915) 3.065 1.085 ( 1.420 2.557 0.915) 3.065 1.177 ( -2.183 -1.393 0.261) 2.603 1.177 ( 2.183 -1.393 0.261) 2.603 1.616 ( -0.644 6.486 1.042) 6.600 1.616 ( 0.644 6.486 1.042) 6.600 1.968 ( -1.568 -3.877 -1.767) 4.540 1.968 ( 1.568 -3.877 -1.767) 4.540 2.001 ( -1.899 0.705 -1.539) 2.544 2.001 ( 1.899 0.705 -1.539) 2.544 2.317 ( -4.396 -7.247 -2.616) 8.870 2.317 ( 4.396 -7.247 -2.616) 8.870 2.827 ( -4.688 6.253 -0.042) 7.815 2.827 ( 4.688 6.253 -0.042) 7.815 3.065 ( -0.790 -0.757 -1.691) 2.014 3.065 ( 0.790 -0.757 -1.691) 2.014 3.316 ( -14.419 0.712 0.812) 14.460 3.316 ( 14.419 0.712 0.812) 14.460 3.466 ( -15.064 -4.341 -1.670) 15.765 3.466 ( 15.064 -4.341 -1.670) 15.765 4.646 ( -0.383 16.905 2.975) 17.169 4.646 ( 0.383 16.905 2.975) 17.169 5.073 ( -0.142 2.709 -0.842) 2.841 5.073 ( 0.142 2.709 -0.842) 2.841 7.378 ( -12.202 3.532 0.738) 12.724 7.378 ( 12.202 3.532 0.738) 12.724 7.631 ( -7.212 -3.342 -1.281) 8.051 7.631 ( 7.212 -3.342 -1.281) 8.051 9.558 ( -0.984 16.480 -3.996) 16.986 9.558 ( 0.984 16.480 -3.996) 16.986 9.655 ( -0.226 3.138 -2.702) 4.147 9.655 ( 0.226 3.138 -2.702) 4.147 9.865 ( -0.522 5.167 5.756) 7.752 9.865 ( 0.522 5.167 5.756) 7.752 10.516 ( -0.882 -7.629 -2.323) 8.023 10.516 ( 0.882 -7.629 -2.323) 8.023 ======================= Grid point 133 (53/140) ======================= q-point: ( 0.00 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.000 0.646 0.975) 1.170 1.085 ( 0.000 -0.514 0.509) 0.723 1.251 ( 0.000 1.805 0.189) 1.815 1.285 ( 0.000 -1.574 -0.374) 1.618 1.685 ( 0.000 5.230 -1.546) 5.454 1.739 ( 0.000 12.009 -0.245) 12.012 1.804 ( 0.000 -6.130 -2.871) 6.769 1.955 ( 0.000 -8.244 -0.965) 8.300 1.990 ( 0.000 3.798 -0.733) 3.868 2.071 ( 0.000 -3.811 0.479) 3.841 2.071 ( 0.000 7.321 -2.377) 7.697 2.247 ( 0.000 -9.743 -3.010) 10.197 2.600 ( 0.000 4.540 -2.861) 5.367 2.684 ( 0.000 -4.103 -4.740) 6.269 2.917 ( 0.000 1.561 -1.847) 2.418 2.981 ( 0.000 -4.449 -1.803) 4.801 3.073 ( 0.000 1.778 0.737) 1.924 3.098 ( 0.000 -0.592 0.344) 0.685 4.198 ( 0.000 0.536 -0.128) 0.551 4.204 ( 0.000 -0.139 -0.213) 0.254 4.864 ( 0.000 11.398 1.368) 11.480 4.921 ( 0.000 9.974 1.139) 10.039 5.022 ( 0.000 -4.627 0.269) 4.635 5.054 ( 0.000 -3.801 -0.323) 3.815 6.963 ( 0.000 8.949 0.483) 8.962 7.135 ( 0.000 -8.464 -0.782) 8.500 7.854 ( 0.000 1.584 -0.670) 1.720 7.882 ( 0.000 -1.130 -0.977) 1.494 9.713 ( 0.000 3.593 -1.913) 4.070 9.736 ( 0.000 3.275 -3.059) 4.481 9.753 ( 0.000 3.311 -4.995) 5.992 9.755 ( 0.000 0.476 -3.101) 3.137 10.023 ( 0.000 13.147 3.712) 13.661 10.106 ( 0.000 14.350 1.854) 14.469 10.292 ( 0.000 -12.718 -0.456) 12.726 10.375 ( 0.000 -12.167 -1.383) 12.245 ======================= Grid point 134 (54/140) ======================= q-point: ( 0.17 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.799 0.685 0.831) 1.341 1.092 ( 0.732 -0.438 0.607) 1.047 1.221 ( -2.404 1.811 0.363) 3.031 1.255 ( -2.427 -1.485 -0.169) 2.851 1.693 ( 0.773 5.309 -1.197) 5.496 1.753 ( 0.944 10.593 0.063) 10.636 1.812 ( 0.767 -5.605 -2.410) 6.149 1.947 ( -1.012 -6.087 0.293) 6.177 2.018 ( 2.555 0.060 -2.034) 3.267 2.059 ( -0.505 0.799 -1.306) 1.612 2.075 ( -0.064 3.862 -1.690) 4.216 2.241 ( -0.596 -9.489 -3.027) 9.978 2.677 ( 6.738 4.853 -2.156) 8.580 2.754 ( 6.529 -3.148 -4.360) 8.459 2.940 ( 2.221 0.724 -2.163) 3.184 2.993 ( 1.213 -4.229 -2.023) 4.842 3.062 ( -0.935 2.062 0.887) 2.432 3.094 ( -0.319 -0.990 0.413) 1.119 4.050 ( -12.463 1.638 0.229) 12.572 4.079 ( -11.360 -1.349 -0.281) 11.443 4.882 ( 1.275 11.067 1.226) 11.207 4.919 ( -0.083 10.064 1.137) 10.128 5.035 ( 0.983 -4.431 0.192) 4.543 5.055 ( 0.061 -3.863 -0.288) 3.874 7.041 ( 6.861 8.259 0.424) 10.745 7.200 ( 5.751 -7.854 -0.753) 9.763 7.804 ( -4.550 1.991 -0.587) 5.001 7.841 ( -3.779 -1.593 -0.944) 4.208 9.713 ( 0.029 3.558 -1.947) 4.056 9.732 ( -0.354 3.272 -2.940) 4.413 9.751 ( -0.194 3.140 -4.841) 5.773 9.754 ( -0.107 0.534 -3.075) 3.123 10.024 ( 0.119 13.281 3.610) 13.764 10.097 ( -0.819 14.299 1.963) 14.456 10.294 ( 0.164 -12.695 -0.487) 12.706 10.366 ( -0.816 -12.196 -1.303) 12.293 ======================= Grid point 135 (55/140) ======================= q-point: ( 0.33 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 1.037 1.123 0.622) 1.650 1.116 ( 1.452 -0.696 0.697) 1.754 1.167 ( -2.391 1.819 0.617) 3.067 1.199 ( -2.497 -1.469 0.240) 2.906 1.716 ( 1.358 5.662 -0.375) 5.835 1.764 ( -0.099 8.401 0.533) 8.418 1.835 ( 1.304 -5.502 -1.473) 5.843 1.913 ( -2.012 -5.426 0.280) 5.793 2.047 ( 0.124 1.302 -2.382) 2.717 2.063 ( -0.126 5.858 -2.973) 6.570 2.101 ( 3.353 -4.048 -2.213) 5.703 2.219 ( -1.576 -8.691 -3.078) 9.353 2.840 ( 6.891 6.623 -0.648) 9.580 2.934 ( 7.268 -0.942 -3.447) 8.099 2.999 ( 1.477 -0.699 -1.757) 2.400 3.038 ( 1.785 -2.616 -2.826) 4.245 3.066 ( 4.890 1.304 1.072) 5.173 3.114 ( 5.550 -2.872 0.280) 6.255 3.717 ( -17.730 2.135 0.411) 17.863 3.762 ( -17.296 -2.554 -0.383) 17.488 4.904 ( 0.704 10.765 1.098) 10.844 4.917 ( -0.105 10.294 1.173) 10.361 5.052 ( 0.522 -4.254 0.045) 4.286 5.057 ( 0.093 -4.002 -0.200) 4.008 7.232 ( 10.428 6.623 0.244) 12.356 7.361 ( 8.779 -6.348 -0.724) 10.858 7.665 ( -8.308 3.105 -0.354) 8.877 7.725 ( -6.963 -2.818 -0.860) 7.561 9.714 ( 0.074 3.480 -2.070) 4.050 9.724 ( -0.388 3.296 -2.628) 4.233 9.747 ( -0.126 2.484 -4.300) 4.968 9.751 ( -0.200 0.950 -3.260) 3.401 10.031 ( 0.555 13.586 3.284) 13.988 10.074 ( -1.238 14.146 2.292) 14.383 10.301 ( 0.565 -12.606 -0.605) 12.634 10.344 ( -1.220 -12.292 -1.090) 12.401 ======================= Grid point 136 (56/140) ======================= q-point: (-0.50 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -1.504 1.642 0.652) 2.321 1.125 ( 1.504 1.642 0.652) 2.321 1.152 ( -1.924 -1.217 0.530) 2.338 1.152 ( 1.924 -1.217 0.530) 2.338 1.747 ( -1.346 6.706 0.437) 6.853 1.747 ( 1.346 6.706 0.437) 6.853 1.869 ( -1.949 -5.730 -0.564) 6.079 1.869 ( 1.949 -5.730 -0.564) 6.079 2.055 ( -0.525 4.502 -2.969) 5.418 2.055 ( 0.525 4.502 -2.969) 5.418 2.171 ( -2.850 -7.153 -2.910) 8.232 2.171 ( 2.850 -7.153 -2.910) 8.232 2.943 ( -3.137 5.372 -0.846) 6.278 2.943 ( 3.137 5.372 -0.846) 6.278 3.028 ( -1.514 -3.183 -1.397) 3.792 3.028 ( 1.514 -3.183 -1.397) 3.792 3.336 ( -15.978 1.691 -0.018) 16.067 3.336 ( 15.978 1.691 -0.018) 16.067 3.387 ( -16.007 -3.490 -0.801) 16.403 3.387 ( 16.007 -3.490 -0.801) 16.403 4.914 ( -0.265 10.550 1.135) 10.614 4.914 ( 0.265 10.550 1.135) 10.614 5.058 ( -0.043 -4.146 -0.086) 4.147 5.058 ( 0.043 -4.146 -0.086) 4.147 7.461 ( -10.560 4.746 -0.042) 11.578 7.461 ( 10.560 4.746 -0.042) 11.578 7.553 ( -8.888 -4.519 -0.764) 10.000 7.553 ( 8.888 -4.519 -0.764) 10.000 9.717 ( -0.213 3.383 -2.304) 4.099 9.717 ( 0.213 3.383 -2.304) 4.099 9.747 ( -0.112 1.650 -3.684) 4.038 9.747 ( 0.112 1.650 -3.684) 4.038 10.049 ( -1.086 13.899 2.785) 14.217 10.049 ( 1.086 13.899 2.785) 14.217 10.318 ( -1.058 -12.449 -0.825) 12.521 10.318 ( 1.058 -12.449 -0.825) 12.521 ======================= Grid point 182 (57/140) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 0.000 0.000 11.972) 11.972 0.570 ( 0.000 0.000 14.455) 14.455 0.911 ( 0.000 0.000 1.653) 1.653 1.274 ( 0.000 0.000 3.399) 3.399 1.295 ( 0.000 0.000 7.943) 7.943 1.514 ( 0.000 0.000 4.226) 4.226 1.601 ( 0.000 0.000 -4.943) 4.943 1.781 ( 0.000 0.000 -0.650) 0.650 1.975 ( 0.000 0.000 12.629) 12.629 2.040 ( 0.000 0.000 11.145) 11.145 2.064 ( 0.000 0.000 0.934) 0.934 2.103 ( 0.000 0.000 0.125) 0.125 2.153 ( 0.000 0.000 -1.353) 1.353 2.289 ( 0.000 0.000 1.594) 1.594 2.371 ( 0.000 0.000 -0.157) 0.157 2.652 ( 0.000 0.000 -1.958) 1.958 2.766 ( 0.000 0.000 5.900) 5.900 2.904 ( 0.000 0.000 14.901) 14.901 3.311 ( 0.000 0.000 -0.853) 0.853 3.483 ( 0.000 0.000 2.678) 2.678 3.728 ( 0.000 0.000 -8.396) 8.396 4.359 ( 0.000 0.000 4.378) 4.378 4.401 ( 0.000 0.000 -9.211) 9.211 4.615 ( 0.000 0.000 -0.880) 0.880 6.689 ( 0.000 0.000 8.920) 8.920 7.532 ( 0.000 0.000 -9.443) 9.443 7.940 ( 0.000 0.000 2.170) 2.170 7.988 ( 0.000 0.000 2.010) 2.010 8.674 ( 0.000 0.000 19.824) 19.824 9.040 ( 0.000 0.000 13.357) 13.357 9.184 ( 0.000 0.000 7.565) 7.565 9.335 ( 0.000 0.000 8.087) 8.087 9.799 ( 0.000 0.000 -5.006) 5.006 9.975 ( 0.000 0.000 -5.077) 5.077 10.177 ( 0.000 0.000 -11.000) 11.000 10.289 ( 0.000 0.000 -11.852) 11.852 ======================= Grid point 183 (58/140) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 5.029 0.000 9.863) 11.071 0.703 ( 8.719 0.000 9.445) 12.854 0.911 ( -0.137 0.000 1.828) 1.833 1.207 ( -3.705 0.000 1.032) 3.846 1.404 ( 8.341 0.000 9.305) 12.496 1.520 ( 0.609 0.000 3.826) 3.874 1.645 ( 3.165 0.000 -0.715) 3.245 1.744 ( -3.048 0.000 -0.177) 3.053 1.999 ( 1.793 0.000 16.934) 17.029 2.074 ( 4.007 0.000 4.169) 5.783 2.086 ( 1.718 0.000 0.630) 1.830 2.111 ( 0.725 0.000 0.174) 0.746 2.135 ( -1.632 0.000 -0.992) 1.910 2.295 ( 0.501 0.000 1.500) 1.582 2.364 ( -0.592 0.000 0.013) 0.592 2.633 ( -1.755 0.000 -1.689) 2.436 2.790 ( 2.154 0.000 6.092) 6.462 2.901 ( -0.120 0.000 13.738) 13.739 3.282 ( -2.154 0.000 -0.172) 2.161 3.521 ( 2.652 0.000 1.628) 3.112 3.646 ( -6.369 0.000 -6.014) 8.760 4.284 ( -6.325 0.000 0.157) 6.327 4.423 ( 1.172 0.000 -5.400) 5.526 4.576 ( -2.999 0.000 -1.144) 3.210 6.817 ( 11.377 0.000 8.303) 14.084 7.590 ( 4.593 0.000 -9.204) 10.287 7.894 ( -4.338 0.000 2.122) 4.829 7.966 ( -2.138 0.000 1.615) 2.680 8.672 ( 0.012 0.000 19.936) 19.937 8.962 ( -5.947 0.000 16.459) 17.500 9.198 ( 1.231 0.000 7.590) 7.689 9.329 ( -0.631 0.000 8.037) 8.062 9.814 ( 1.395 0.000 -5.008) 5.199 9.967 ( -0.783 0.000 -5.073) 5.133 10.185 ( 0.691 0.000 -11.122) 11.143 10.284 ( -0.576 0.000 -11.837) 11.851 ======================= Grid point 184 (59/140) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 5.896 0.000 6.322) 8.645 0.855 ( 5.844 0.000 4.875) 7.611 0.897 ( -1.476 0.000 2.444) 2.855 1.108 ( -5.655 0.000 0.662) 5.694 1.544 ( 1.687 0.000 2.855) 3.316 1.620 ( 9.777 0.000 9.767) 13.820 1.668 ( -3.757 0.000 0.712) 3.824 1.716 ( 3.185 0.000 6.069) 6.854 2.028 ( 0.939 0.000 14.602) 14.632 2.089 ( -2.354 0.000 0.716) 2.460 2.121 ( 1.299 0.000 0.294) 1.332 2.129 ( 0.764 0.000 0.243) 0.802 2.226 ( 9.282 0.000 -1.591) 9.417 2.309 ( 0.798 0.000 1.241) 1.476 2.348 ( -0.914 0.000 0.424) 1.008 2.569 ( -4.635 0.000 -1.750) 4.954 2.849 ( 3.068 0.000 6.590) 7.269 2.905 ( 0.377 0.000 10.414) 10.421 3.245 ( -0.725 0.000 0.399) 0.828 3.433 ( -8.716 0.000 -2.808) 9.157 3.660 ( 6.725 0.000 1.625) 6.919 4.094 ( -10.998 0.000 0.329) 11.003 4.447 ( 1.123 0.000 -4.842) 4.971 4.516 ( -2.373 0.000 -2.551) 3.484 7.129 ( 16.584 0.000 6.261) 17.726 7.695 ( 4.870 0.000 -6.041) 7.760 7.746 ( -9.721 0.000 2.431) 10.021 7.898 ( -4.097 0.000 0.408) 4.117 8.686 ( 1.601 0.000 19.787) 19.851 8.838 ( -5.209 0.000 18.701) 19.413 9.233 ( 1.907 0.000 7.663) 7.897 9.308 ( -1.306 0.000 7.917) 8.024 9.854 ( 2.182 0.000 -5.019) 5.472 9.942 ( -1.572 0.000 -5.059) 5.298 10.205 ( 1.229 0.000 -11.363) 11.429 10.264 ( -1.209 0.000 -11.730) 11.792 ======================= Grid point 185 (60/140) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -3.934 0.000 3.799) 5.468 0.840 ( 3.934 0.000 3.799) 5.468 0.979 ( -6.052 0.000 2.331) 6.486 0.979 ( 6.052 0.000 2.331) 6.486 1.594 ( -3.018 0.000 1.739) 3.483 1.594 ( 3.018 0.000 1.739) 3.483 1.746 ( -1.535 0.000 9.709) 9.830 1.746 ( 1.535 0.000 9.709) 9.830 2.048 ( -1.281 0.000 6.153) 6.285 2.048 ( 1.281 0.000 6.153) 6.285 2.136 ( -0.157 0.000 0.230) 0.278 2.136 ( 0.157 0.000 0.230) 0.278 2.328 ( -0.923 0.000 0.871) 1.269 2.328 ( 0.923 0.000 0.871) 1.269 2.426 ( -8.591 0.000 -2.306) 8.896 2.426 ( 8.591 0.000 -2.306) 8.896 2.900 ( -1.291 0.000 7.384) 7.496 2.900 ( 1.291 0.000 7.384) 7.496 3.281 ( -4.608 0.000 -0.220) 4.613 3.281 ( 4.608 0.000 -0.220) 4.613 3.851 ( -10.872 0.000 1.435) 10.967 3.851 ( 10.872 0.000 1.435) 10.967 4.475 ( -1.549 0.000 -4.049) 4.335 4.475 ( 1.549 0.000 -4.049) 4.335 7.476 ( -15.118 0.000 3.965) 15.629 7.476 ( 15.118 0.000 3.965) 15.629 7.800 ( -4.861 0.000 -2.029) 5.267 7.800 ( 4.861 0.000 -2.029) 5.267 8.744 ( -3.647 0.000 19.130) 19.474 8.744 ( 3.647 0.000 19.130) 19.474 9.274 ( -1.852 0.000 7.778) 7.996 9.274 ( 1.852 0.000 7.778) 7.996 9.901 ( -2.162 0.000 -5.039) 5.483 9.901 ( 2.162 0.000 -5.039) 5.483 10.235 ( -1.458 0.000 -11.578) 11.669 10.235 ( 1.458 0.000 -11.578) 11.669 ======================= Grid point 189 (61/140) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 0.000 4.962 12.861) 13.785 0.772 ( 0.000 15.232 9.925) 18.181 1.066 ( 0.000 11.330 1.564) 11.437 1.254 ( 0.000 -1.979 2.851) 3.470 1.259 ( 0.000 -1.416 2.672) 3.024 1.497 ( 0.000 -5.738 -0.240) 5.743 1.739 ( 0.000 18.355 1.792) 18.442 1.842 ( 0.000 -3.041 -0.558) 3.091 1.995 ( 0.000 6.570 16.718) 17.963 2.039 ( 0.000 0.210 0.141) 0.253 2.087 ( 0.000 9.689 -1.161) 9.758 2.272 ( 0.000 8.960 0.138) 8.961 2.310 ( 0.000 3.144 1.194) 3.363 2.320 ( 0.000 -0.640 1.097) 1.270 2.443 ( 0.000 20.575 3.588) 20.885 2.689 ( 0.000 3.846 -1.380) 4.086 2.805 ( 0.000 4.033 5.093) 6.497 2.970 ( 0.000 7.966 14.219) 16.298 3.303 ( 0.000 -0.833 -0.996) 1.298 3.471 ( 0.000 -0.781 3.474) 3.561 3.745 ( 0.000 2.030 -8.014) 8.267 4.351 ( 0.000 -0.683 4.514) 4.566 4.416 ( 0.000 1.876 -8.944) 9.139 4.620 ( 0.000 0.682 -1.065) 1.265 6.681 ( 0.000 -0.586 9.332) 9.351 7.517 ( 0.000 -1.520 -9.248) 9.372 7.928 ( 0.000 -1.214 1.848) 2.211 7.971 ( 0.000 -1.692 1.885) 2.533 8.691 ( 0.000 1.969 17.754) 17.863 8.861 ( 0.000 -7.421 14.814) 16.569 9.390 ( 0.000 8.078 7.367) 10.933 9.412 ( 0.000 10.472 7.487) 12.873 9.735 ( 0.000 -5.563 -5.970) 8.160 9.860 ( 0.000 -8.427 -6.538) 10.665 10.281 ( 0.000 7.343 -9.303) 11.852 10.352 ( 0.000 5.440 -10.626) 11.937 ======================= Grid point 190 (62/140) ======================= q-point: ( 0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 6.986 3.829 8.567) 11.699 0.823 ( 4.486 14.161 8.047) 16.894 1.063 ( -0.262 11.110 1.741) 11.248 1.191 ( -3.583 -0.784 0.097) 3.669 1.343 ( 6.365 -3.546 5.691) 9.245 1.535 ( 2.483 -5.601 3.796) 7.208 1.743 ( 0.716 16.522 1.161) 16.578 1.866 ( 0.999 1.975 -2.676) 3.472 2.004 ( 1.437 6.201 12.477) 14.007 2.053 ( 1.832 -0.256 2.954) 3.486 2.122 ( 3.053 8.208 -0.962) 8.810 2.274 ( 0.369 9.942 0.392) 9.956 2.314 ( 0.446 2.796 1.242) 3.092 2.319 ( -0.130 -0.431 1.044) 1.137 2.430 ( -1.035 20.880 4.153) 21.314 2.668 ( -1.912 3.539 -1.053) 4.158 2.828 ( 1.941 3.936 5.167) 6.779 2.963 ( -0.555 7.301 13.152) 15.053 3.276 ( -1.968 -0.575 -0.256) 2.067 3.512 ( 2.918 -0.650 2.375) 3.818 3.663 ( -6.528 1.983 -5.676) 8.874 4.281 ( -6.262 -0.319 1.086) 6.363 4.435 ( 1.129 1.519 -5.948) 6.242 4.583 ( -2.882 0.867 -1.349) 3.298 6.809 ( 11.297 -0.674 8.423) 14.107 7.567 ( 4.128 -2.158 -8.573) 9.757 7.880 ( -4.489 -1.375 1.885) 5.059 7.949 ( -2.105 -1.659 1.382) 3.016 8.689 ( -0.053 1.964 17.866) 17.974 8.838 ( -2.009 -5.757 15.517) 16.672 9.377 ( -1.120 10.604 7.339) 12.945 9.398 ( -0.781 7.812 8.462) 11.543 9.748 ( 1.186 -5.719 -5.978) 8.358 9.858 ( -0.318 -8.165 -6.497) 10.440 10.284 ( 0.317 7.198 -9.430) 11.867 10.347 ( -0.466 5.484 -10.569) 11.916 ======================= Grid point 191 (63/140) ======================= q-point: ( 0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 5.161 2.706 5.058) 7.716 0.918 ( 3.573 10.831 4.022) 12.093 1.051 ( -0.961 10.849 1.957) 11.066 1.102 ( -4.630 0.996 0.515) 4.763 1.503 ( 6.714 -4.993 7.945) 11.539 1.578 ( 1.392 -4.076 7.208) 8.397 1.773 ( 1.977 12.263 0.586) 12.435 1.859 ( -1.256 8.280 -1.934) 8.595 2.053 ( 2.382 3.654 7.336) 8.534 2.091 ( 0.992 3.109 2.566) 4.151 2.238 ( 7.457 4.146 -0.640) 8.556 2.292 ( 1.193 9.616 0.615) 9.709 2.312 ( -0.408 -0.537 0.946) 1.162 2.339 ( 2.460 6.822 1.496) 7.404 2.404 ( -1.391 20.192 4.136) 20.658 2.602 ( -4.638 3.632 -0.996) 5.974 2.880 ( 2.752 3.279 5.857) 7.255 2.952 ( -0.497 5.289 10.044) 11.362 3.244 ( -0.433 0.072 0.384) 0.583 3.442 ( -8.670 1.073 -2.574) 9.107 3.659 ( 6.620 0.259 2.279) 7.006 4.092 ( -10.946 -0.215 0.937) 10.988 4.458 ( 1.115 1.469 -5.060) 5.385 4.525 ( -2.276 1.172 -2.727) 3.741 7.117 ( 16.315 -1.139 6.212) 17.495 7.668 ( 4.750 -2.532 -5.564) 7.742 7.730 ( -9.533 -1.594 2.232) 9.920 7.881 ( -4.154 -1.665 0.072) 4.475 8.697 ( 1.045 1.558 17.703) 17.802 8.787 ( -2.532 -2.485 16.358) 16.738 9.360 ( -0.228 10.146 8.093) 12.980 9.383 ( -0.773 7.152 8.427) 11.080 9.781 ( 1.757 -6.181 -6.039) 8.818 9.845 ( -0.937 -7.573 -6.356) 9.931 10.294 ( 0.676 6.792 -9.740) 11.893 10.332 ( -0.881 5.743 -10.379) 11.894 ======================= Grid point 192 (64/140) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -2.720 2.773 2.630) 4.691 0.943 ( 2.720 2.773 2.630) 4.691 1.031 ( -0.278 9.330 2.270) 9.606 1.031 ( 0.278 9.330 2.270) 9.606 1.585 ( -1.205 -3.899 8.145) 9.111 1.585 ( 1.205 -3.899 8.145) 9.111 1.821 ( -2.272 9.161 -0.298) 9.443 1.821 ( 2.272 9.161 -0.298) 9.443 2.091 ( -0.994 4.101 4.027) 5.833 2.091 ( 0.994 4.101 4.027) 5.833 2.303 ( -0.543 1.266 0.893) 1.642 2.303 ( 0.543 1.266 0.893) 1.642 2.361 ( -2.947 16.153 2.431) 16.599 2.361 ( 2.947 16.153 2.431) 16.599 2.463 ( -7.962 4.890 -0.784) 9.376 2.463 ( 7.962 4.890 -0.784) 9.376 2.932 ( -1.724 3.348 6.928) 7.885 2.932 ( 1.724 3.348 6.928) 7.885 3.286 ( -4.861 0.774 -0.176) 4.926 3.286 ( 4.861 0.774 -0.176) 4.926 3.850 ( -10.812 0.022 2.043) 11.003 3.850 ( 10.812 0.022 2.043) 11.003 4.486 ( -1.492 1.376 -4.195) 4.660 4.486 ( 1.492 1.376 -4.195) 4.660 7.459 ( -14.933 -1.672 3.919) 15.529 7.459 ( 14.933 -1.672 3.919) 15.529 7.780 ( -5.098 -1.920 -2.242) 5.891 7.780 ( 5.098 -1.920 -2.242) 5.891 8.735 ( -2.278 0.090 16.975) 17.127 8.735 ( 2.278 0.090 16.975) 17.127 9.366 ( -0.655 8.297 8.303) 11.756 9.366 ( 0.655 8.297 8.303) 11.756 9.818 ( -1.568 -6.856 -6.178) 9.361 9.818 ( 1.568 -6.856 -6.178) 9.361 10.312 ( -0.944 6.236 -10.090) 11.899 10.312 ( 0.944 6.236 -10.090) 11.899 ======================= Grid point 196 (65/140) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.000 10.062 9.034) 13.522 0.967 ( 0.000 4.506 9.680) 10.678 1.199 ( 0.000 0.329 1.051) 1.101 1.243 ( 0.000 1.174 2.589) 2.842 1.274 ( 0.000 3.504 -1.176) 3.696 1.431 ( 0.000 -0.756 2.339) 2.458 1.791 ( 0.000 -2.272 -4.475) 5.019 2.010 ( 0.000 6.330 -3.176) 7.082 2.022 ( 0.000 -1.147 6.665) 6.763 2.079 ( 0.000 2.850 -0.412) 2.880 2.221 ( 0.000 -0.289 6.212) 6.219 2.355 ( 0.000 5.079 1.400) 5.269 2.438 ( 0.000 10.480 -0.264) 10.483 2.475 ( 0.000 9.497 1.040) 9.554 2.798 ( 0.000 6.794 -0.134) 6.795 2.846 ( 0.000 11.162 -0.246) 11.165 2.959 ( 0.000 15.920 5.629) 16.886 3.248 ( 0.000 18.647 7.993) 20.288 3.279 ( 0.000 -1.682 -1.235) 2.087 3.511 ( 0.000 8.891 8.896) 12.578 3.825 ( 0.000 6.560 -6.328) 9.115 4.338 ( 0.000 -0.459 4.720) 4.742 4.494 ( 0.000 6.561 -7.853) 10.233 4.652 ( 0.000 2.903 -1.619) 3.324 6.676 ( 0.000 0.207 9.314) 9.316 7.476 ( 0.000 -2.656 -8.570) 8.972 7.896 ( 0.000 -1.884 1.209) 2.238 7.929 ( 0.000 -2.326 1.438) 2.735 8.763 ( 0.000 5.738 12.740) 13.972 8.822 ( 0.000 3.187 11.161) 11.607 9.549 ( 0.000 9.074 8.752) 12.607 9.619 ( 0.000 -5.624 -6.868) 8.877 9.624 ( 0.000 9.873 7.470) 12.380 9.700 ( 0.000 -7.486 -6.800) 10.113 10.414 ( 0.000 5.907 -8.173) 10.084 10.464 ( 0.000 5.417 -8.992) 10.498 ======================= Grid point 197 (66/140) ======================= q-point: ( 0.17 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 4.204 7.281 6.119) 10.398 1.014 ( 3.443 4.862 7.644) 9.691 1.183 ( -1.280 0.594 0.666) 1.561 1.226 ( -0.565 3.182 2.331) 3.984 1.311 ( 3.796 0.789 1.715) 4.240 1.460 ( 2.125 -1.383 4.362) 5.045 1.852 ( 4.661 -1.178 -5.573) 7.360 1.993 ( -0.484 5.251 0.676) 5.316 2.053 ( 1.743 -0.279 2.649) 3.183 2.079 ( 0.439 2.279 0.342) 2.346 2.235 ( 1.274 -0.736 4.970) 5.184 2.361 ( 0.787 6.240 0.531) 6.312 2.462 ( -0.085 10.652 0.098) 10.652 2.481 ( 2.753 9.336 0.807) 9.767 2.770 ( -2.038 6.761 0.825) 7.109 2.859 ( 0.572 13.892 -0.212) 13.905 2.964 ( 0.593 13.446 5.246) 14.446 3.216 ( -2.776 14.255 6.298) 15.830 3.274 ( -0.252 4.116 1.289) 4.321 3.539 ( 1.827 6.250 6.683) 9.331 3.745 ( -6.262 7.000 -3.667) 10.083 4.275 ( -6.001 -0.136 3.096) 6.755 4.504 ( 0.845 6.191 -6.467) 8.992 4.622 ( -2.245 3.593 -1.960) 4.668 6.798 ( 10.779 -0.252 8.236) 13.568 7.516 ( 3.539 -2.911 -7.651) 8.919 7.844 ( -4.855 -2.170 1.447) 5.511 7.908 ( -2.098 -2.328 0.817) 3.238 8.762 ( -0.032 5.819 12.899) 14.151 8.816 ( -0.499 3.597 11.234) 11.807 9.547 ( -0.158 8.965 8.505) 12.359 9.599 ( -1.595 8.158 5.957) 10.226 9.632 ( 0.926 -4.320 -5.338) 6.930 9.704 ( 0.170 -6.519 -6.121) 8.944 10.416 ( 0.170 5.859 -8.220) 10.096 10.460 ( -0.419 5.404 -8.927) 10.443 ======================= Grid point 198 (67/140) ======================= q-point: ( 0.33 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 2.932 3.716 3.886) 6.124 1.033 ( -1.908 1.794 2.275) 3.469 1.177 ( 0.822 4.844 1.591) 5.164 1.217 ( -0.551 4.366 1.722) 4.725 1.430 ( 5.834 -2.205 6.654) 9.120 1.503 ( 1.553 -2.038 5.992) 6.517 1.928 ( 1.998 1.833 -3.471) 4.404 1.985 ( -0.727 5.352 -1.210) 5.535 2.100 ( 2.451 -1.852 2.868) 4.203 2.108 ( 1.949 0.801 0.182) 2.115 2.280 ( 3.217 -0.518 2.000) 3.824 2.395 ( 1.478 5.815 -0.958) 6.076 2.447 ( 0.189 11.110 1.028) 11.159 2.566 ( 2.987 7.868 -0.424) 8.426 2.733 ( -0.106 11.162 2.504) 11.439 2.856 ( -1.019 17.593 0.256) 17.624 2.988 ( 1.814 9.422 4.741) 10.703 3.140 ( -4.223 12.407 6.347) 14.562 3.277 ( 0.873 6.317 1.671) 6.593 3.481 ( -7.733 2.982 -1.451) 8.414 3.708 ( 4.672 6.755 5.367) 9.811 4.093 ( -10.394 0.680 3.064) 10.858 4.524 ( 0.970 5.851 -5.305) 7.957 4.577 ( -1.758 4.702 -3.177) 5.940 7.090 ( 15.506 -1.327 5.964) 16.666 7.610 ( 4.390 -3.078 -4.928) 7.282 7.689 ( -9.137 -2.428 1.804) 9.625 7.839 ( -4.249 -2.402 -0.596) 4.917 8.766 ( 0.485 5.800 12.847) 14.104 8.802 ( -0.819 4.411 11.590) 12.428 9.544 ( -0.018 8.965 8.136) 12.107 9.567 ( -1.242 9.024 7.171) 11.593 9.657 ( 1.331 -5.263 -5.842) 7.975 9.701 ( -0.468 -5.940 -5.833) 8.338 10.422 ( 0.405 5.729 -8.352) 10.136 10.448 ( -0.678 5.436 -8.755) 10.328 ======================= Grid point 199 (68/140) ======================= q-point: (-0.50 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -3.253 1.668 2.471) 4.413 0.971 ( 3.253 1.668 2.471) 4.413 1.200 ( -1.042 5.215 1.353) 5.488 1.200 ( 1.042 5.215 1.353) 5.488 1.509 ( -1.411 -2.553 7.141) 7.714 1.509 ( 1.411 -2.553 7.141) 7.714 1.960 ( -1.385 3.895 -1.696) 4.468 1.960 ( 1.385 3.895 -1.696) 4.468 2.130 ( -0.390 -1.013 1.374) 1.751 2.130 ( 0.390 -1.013 1.374) 1.751 2.360 ( -3.477 3.810 -0.898) 5.235 2.360 ( 3.477 3.810 -0.898) 5.235 2.527 ( -5.105 6.790 0.813) 8.534 2.527 ( 5.105 6.790 0.813) 8.534 2.802 ( -4.219 18.056 0.965) 18.568 2.802 ( 4.219 18.056 0.965) 18.568 3.048 ( -3.886 9.419 5.874) 11.761 3.048 ( 3.886 9.419 5.874) 11.761 3.333 ( -4.868 4.924 -0.103) 6.925 3.333 ( 4.868 4.924 -0.103) 6.925 3.870 ( -9.677 2.983 4.744) 11.183 3.870 ( 9.677 2.983 4.744) 11.183 4.547 ( -1.190 5.433 -4.411) 7.099 4.547 ( 1.190 5.433 -4.411) 7.099 7.418 ( -14.398 -2.316 3.735) 15.054 7.418 ( 14.398 -2.316 3.735) 15.054 7.734 ( -5.401 -2.596 -2.668) 6.560 7.734 ( 5.401 -2.596 -2.668) 6.560 8.782 ( -0.953 5.252 12.255) 13.367 8.782 ( 0.953 5.252 12.255) 13.367 9.549 ( -0.487 9.090 7.758) 11.961 9.549 ( 0.487 9.090 7.758) 11.961 9.684 ( -1.093 -5.645 -5.836) 8.193 9.684 ( 1.093 -5.645 -5.836) 8.193 10.433 ( -0.641 5.561 -8.544) 10.215 10.433 ( 0.641 5.561 -8.544) 10.215 ======================= Grid point 203 (69/140) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.000 11.259 5.381) 12.478 1.013 ( 0.000 1.547 6.267) 6.455 1.175 ( 0.000 -0.889 0.796) 1.193 1.249 ( 0.000 -0.774 2.985) 3.084 1.319 ( 0.000 0.481 -1.709) 1.775 1.474 ( 0.000 4.405 3.702) 5.754 1.755 ( 0.000 -1.090 -6.629) 6.718 1.968 ( 0.000 -3.707 3.911) 5.389 2.027 ( 0.000 -2.502 -3.874) 4.611 2.136 ( 0.000 2.383 -1.403) 2.765 2.214 ( 0.000 -0.299 2.498) 2.515 2.410 ( 0.000 1.374 3.495) 3.755 2.596 ( 0.000 2.101 0.369) 2.133 2.598 ( 0.000 4.563 -5.683) 7.288 2.919 ( 0.000 4.714 0.428) 4.733 2.956 ( 0.000 3.300 -0.771) 3.389 3.117 ( 0.000 -0.666 1.244) 1.411 3.236 ( 0.000 -2.774 -1.197) 3.021 3.688 ( 0.000 25.229 3.180) 25.428 3.886 ( 0.000 24.205 11.730) 26.898 3.984 ( 0.000 8.407 -3.343) 9.047 4.345 ( 0.000 1.739 5.643) 5.904 4.675 ( 0.000 11.282 -5.802) 12.687 4.749 ( 0.000 7.239 -2.342) 7.608 6.695 ( 0.000 1.927 8.289) 8.510 7.415 ( 0.000 -3.501 -7.274) 8.072 7.859 ( 0.000 -1.804 0.744) 1.952 7.890 ( 0.000 -1.496 0.571) 1.602 8.923 ( 0.000 10.655 6.810) 12.646 8.967 ( 0.000 11.124 5.176) 12.269 9.534 ( 0.000 -2.695 -6.812) 7.326 9.583 ( 0.000 -4.208 -6.305) 7.580 9.728 ( 0.000 8.737 8.566) 12.236 9.797 ( 0.000 7.853 8.122) 11.297 10.501 ( 0.000 2.717 -7.036) 7.542 10.547 ( 0.000 2.704 -7.701) 8.162 ======================= Grid point 204 (70/140) ======================= q-point: ( 0.17 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -0.013 5.437 4.329) 6.950 1.094 ( 3.664 5.168 4.308) 7.661 1.163 ( -0.374 -1.513 0.813) 1.758 1.246 ( 0.595 -0.200 3.488) 3.544 1.332 ( 1.833 0.459 0.114) 1.893 1.490 ( 1.169 3.652 4.507) 5.917 1.824 ( 5.318 -1.212 -6.410) 8.417 1.987 ( 1.995 -3.076 3.586) 5.128 2.033 ( 0.435 -2.473 -3.558) 4.355 2.118 ( -1.286 1.609 -0.705) 2.177 2.226 ( 1.117 -0.280 1.595) 1.968 2.438 ( 2.377 2.299 2.283) 4.018 2.587 ( -0.760 1.313 -1.543) 2.164 2.623 ( 2.351 5.046 -3.097) 6.370 2.900 ( -1.003 5.346 1.103) 5.550 2.976 ( 1.200 2.644 -1.229) 3.153 3.125 ( 0.691 0.497 1.344) 1.591 3.243 ( 0.821 -2.098 -1.415) 2.660 3.666 ( -2.285 23.601 2.422) 23.835 3.797 ( -8.569 13.307 4.627) 16.490 3.969 ( -0.306 17.768 4.853) 18.422 4.289 ( -5.131 2.442 5.594) 7.974 4.681 ( 0.526 11.209 -5.275) 12.400 4.737 ( -0.886 8.191 -2.653) 8.656 6.807 ( 9.797 1.263 7.343) 12.308 7.455 ( 3.582 -3.301 -6.592) 8.197 7.802 ( -5.202 -1.977 1.094) 5.671 7.868 ( -2.205 -1.609 -0.009) 2.730 8.924 ( 0.129 10.772 6.927) 12.808 8.965 ( -0.229 11.133 5.353) 12.355 9.540 ( 0.521 -2.799 -6.729) 7.306 9.581 ( -0.161 -3.956 -6.133) 7.300 9.729 ( 0.138 8.649 8.506) 12.131 9.789 ( -0.737 7.920 8.116) 11.364 10.502 ( 0.105 2.688 -7.054) 7.550 10.542 ( -0.455 2.669 -7.628) 8.095 ======================= Grid point 205 (71/140) ======================= q-point: ( 0.33 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.990 3.652 3.549) 5.187 1.071 ( -2.908 2.470 1.784) 4.212 1.201 ( 1.891 -1.395 0.590) 2.423 1.254 ( -0.440 0.138 0.539) 0.710 1.421 ( 5.222 1.186 5.899) 7.967 1.511 ( 0.550 2.301 5.314) 5.817 1.923 ( 3.404 -1.543 -3.924) 5.419 2.027 ( -1.366 -1.405 -2.959) 3.549 2.053 ( 3.194 -2.045 1.767) 4.184 2.102 ( -0.020 -0.811 0.328) 0.875 2.277 ( 4.232 -0.231 -1.069) 4.371 2.472 ( -0.868 1.633 -2.691) 3.265 2.587 ( 1.882 3.265 1.519) 4.063 2.675 ( 1.243 4.770 -0.257) 4.936 2.911 ( 2.911 5.747 0.506) 6.462 2.997 ( 0.647 2.308 -1.767) 2.978 3.150 ( 1.997 2.846 2.099) 4.061 3.281 ( 2.685 2.100 -1.470) 3.712 3.545 ( -10.450 9.027 3.011) 14.134 3.602 ( -6.747 13.785 -1.575) 15.429 3.981 ( 1.406 19.936 9.013) 21.924 4.152 ( -6.777 7.050 7.363) 12.241 4.694 ( 0.602 10.967 -4.580) 11.901 4.719 ( -0.701 9.572 -3.381) 10.176 7.074 ( 14.275 -0.166 5.340) 15.242 7.554 ( 4.747 -2.715 -4.655) 7.182 7.642 ( -9.158 -2.159 1.647) 9.552 7.796 ( -4.440 -1.897 -1.261) 4.990 8.930 ( 0.483 10.982 6.954) 13.008 8.957 ( -0.519 11.119 5.881) 12.589 9.554 ( 0.696 -3.012 -6.467) 7.168 9.576 ( -0.309 -3.493 -5.932) 6.891 9.735 ( 0.446 8.443 8.370) 11.897 9.769 ( -1.016 8.044 8.121) 11.476 10.506 ( 0.310 2.628 -7.122) 7.597 10.529 ( -0.673 2.608 -7.450) 7.922 ======================= Grid point 206 (72/140) ======================= q-point: (-0.50 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -2.209 2.640 2.748) 4.405 1.015 ( 2.209 2.640 2.748) 4.405 1.234 ( -1.308 -0.716 -0.103) 1.495 1.234 ( 1.308 -0.716 -0.103) 1.495 1.500 ( -1.935 1.343 6.204) 6.637 1.500 ( 1.935 1.343 6.204) 6.637 1.983 ( -2.497 -1.055 -2.607) 3.760 1.983 ( 2.497 -1.055 -2.607) 3.760 2.095 ( -1.006 -2.047 0.954) 2.472 2.095 ( 1.006 -2.047 0.954) 2.472 2.394 ( -5.558 -0.069 -3.999) 6.848 2.394 ( 5.558 -0.069 -3.999) 6.848 2.651 ( -2.926 5.078 2.672) 6.441 2.651 ( 2.926 5.078 2.672) 6.441 2.987 ( -2.229 3.541 -1.829) 4.567 2.987 ( 2.229 3.541 -1.829) 4.567 3.246 ( -7.059 7.487 3.438) 10.849 3.246 ( 7.059 7.487 3.438) 10.849 3.460 ( -5.270 5.045 -2.803) 7.815 3.460 ( 5.270 5.045 -2.803) 7.815 4.035 ( -3.897 15.139 9.298) 18.189 4.035 ( 3.897 15.139 9.298) 18.189 4.706 ( -0.558 10.462 -4.038) 11.228 4.706 ( 0.558 10.462 -4.038) 11.228 7.379 ( -13.613 -1.441 3.326) 14.088 7.379 ( 13.613 -1.441 3.326) 14.088 7.685 ( -5.705 -2.316 -2.940) 6.823 7.685 ( 5.705 -2.316 -2.940) 6.823 8.943 ( -0.692 11.084 6.548) 12.893 8.943 ( 0.692 11.084 6.548) 12.893 9.567 ( -0.526 -3.201 -6.095) 6.905 9.567 ( 0.526 -3.201 -6.095) 6.905 9.749 ( -0.839 8.215 8.215) 11.648 9.749 ( 0.839 8.215 8.215) 11.648 10.515 ( -0.572 2.589 -7.258) 7.727 10.515 ( 0.572 2.589 -7.258) 7.727 ======================= Grid point 210 (73/140) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.000 2.113 3.281) 3.903 1.105 ( 0.000 0.394 1.491) 1.542 1.232 ( 0.000 -0.528 2.254) 2.315 1.265 ( 0.000 11.169 2.867) 11.531 1.310 ( 0.000 -1.111 -1.467) 1.840 1.559 ( 0.000 3.615 2.211) 4.237 1.764 ( 0.000 2.215 -6.520) 6.886 1.907 ( 0.000 -1.899 3.105) 3.640 1.951 ( 0.000 -4.899 -4.588) 6.712 2.159 ( 0.000 -0.034 -0.956) 0.956 2.185 ( 0.000 -3.027 -1.291) 3.290 2.442 ( 0.000 2.112 2.393) 3.192 2.535 ( 0.000 -6.702 -4.371) 8.001 2.651 ( 0.000 0.348 -5.774) 5.785 2.967 ( 0.000 -2.699 -1.337) 3.012 2.977 ( 0.000 1.762 -0.404) 1.807 3.090 ( 0.000 -0.046 1.108) 1.109 3.168 ( 0.000 -4.042 -0.827) 4.125 4.080 ( 0.000 11.700 -1.743) 11.829 4.114 ( 0.000 4.593 -1.254) 4.761 4.321 ( 0.000 19.318 9.117) 21.361 4.466 ( 0.000 12.477 7.597) 14.608 4.882 ( 0.000 8.869 -3.805) 9.651 4.921 ( 0.000 9.060 -2.511) 9.401 6.754 ( 0.000 4.038 6.395) 7.563 7.338 ( 0.000 -4.514 -5.520) 7.131 7.831 ( 0.000 -0.957 0.357) 1.021 7.873 ( 0.000 -0.299 -0.532) 0.610 9.172 ( 0.000 14.399 1.278) 14.456 9.231 ( 0.000 15.161 -0.170) 15.162 9.521 ( 0.000 1.373 -5.861) 6.019 9.544 ( 0.000 0.275 -5.274) 5.282 9.877 ( 0.000 6.334 7.830) 10.071 9.928 ( 0.000 5.569 7.747) 9.541 10.513 ( 0.000 -1.570 -5.670) 5.884 10.562 ( 0.000 -1.313 -6.463) 6.595 ======================= Grid point 211 (74/140) ======================= q-point: ( 0.17 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -0.306 2.647 2.973) 3.992 1.127 ( 1.523 -0.982 1.271) 2.213 1.196 ( -3.300 1.588 1.264) 3.874 1.260 ( -0.177 1.532 1.100) 1.894 1.369 ( 4.972 5.640 2.029) 7.788 1.564 ( 0.389 3.458 2.588) 4.336 1.819 ( 4.036 0.981 -5.256) 6.699 1.932 ( 2.552 -1.876 2.138) 3.822 1.961 ( 0.882 -4.589 -4.296) 6.348 2.126 ( -2.319 -0.994 -0.865) 2.667 2.201 ( 1.116 -2.612 -1.301) 3.124 2.476 ( 1.478 0.509 -0.792) 1.753 2.536 ( 1.586 -4.033 -1.845) 4.711 2.686 ( 3.165 1.261 -4.867) 5.941 2.965 ( -0.765 1.417 -0.302) 1.638 2.983 ( 1.304 -1.419 -1.619) 2.517 3.110 ( 1.760 -0.549 0.967) 2.082 3.176 ( 1.049 -4.266 -1.139) 4.539 3.958 ( -12.242 5.016 0.905) 13.260 4.004 ( -7.309 8.656 -2.478) 11.597 4.359 ( 1.892 18.626 7.651) 20.225 4.441 ( -1.855 14.373 7.964) 16.537 4.891 ( 0.695 9.123 -3.568) 9.821 4.920 ( -0.075 9.248 -2.639) 9.617 6.852 ( 8.672 3.384 5.717) 10.924 7.384 ( 4.149 -4.090 -5.119) 7.756 7.773 ( -5.251 -0.839 0.648) 5.357 7.847 ( -2.534 -0.609 -0.897) 2.756 9.175 ( 0.296 14.470 1.353) 14.536 9.228 ( -0.331 15.069 0.051) 15.072 9.525 ( 0.318 1.266 -5.790) 5.936 9.544 ( 0.037 0.318 -5.215) 5.224 9.877 ( 0.021 6.278 7.835) 10.040 9.921 ( -0.608 5.619 7.772) 9.610 10.514 ( 0.075 -1.579 -5.688) 5.903 10.556 ( -0.520 -1.354 -6.374) 6.537 ======================= Grid point 212 (75/140) ======================= q-point: ( 0.33 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.511 2.779 2.775) 3.961 1.119 ( -2.931 2.029 1.876) 4.029 1.168 ( 1.704 -1.399 0.600) 2.285 1.243 ( -1.348 -0.968 -0.189) 1.670 1.482 ( 4.677 5.097 3.891) 7.937 1.569 ( -0.092 3.399 3.218) 4.681 1.892 ( 2.797 -1.232 -2.893) 4.208 1.969 ( 0.149 -3.387 -2.712) 4.342 2.009 ( 2.764 -2.662 -0.791) 3.918 2.076 ( -2.025 -2.005 -0.025) 2.850 2.250 ( 3.967 -2.917 -3.064) 5.800 2.446 ( -3.212 -4.547 -5.438) 7.782 2.634 ( 5.688 3.016 2.305) 6.838 2.761 ( 2.204 3.890 -1.234) 4.638 2.971 ( 2.161 1.173 -1.552) 2.908 3.014 ( 1.257 0.016 -2.272) 2.597 3.163 ( 3.771 -0.820 1.476) 4.132 3.247 ( 6.523 -4.048 -2.181) 7.981 3.652 ( -15.361 3.512 1.945) 15.877 3.776 ( -13.423 2.829 -3.166) 14.079 4.384 ( 0.643 19.143 7.583) 20.600 4.408 ( -1.051 17.483 8.167) 19.325 4.905 ( 0.564 9.412 -3.269) 9.980 4.918 ( -0.118 9.504 -2.883) 9.933 7.090 ( 12.868 1.935 4.216) 13.679 7.499 ( 6.132 -3.017 -4.096) 7.968 7.614 ( -9.430 -0.581 1.399) 9.551 7.766 ( -4.953 -1.255 -1.751) 5.402 9.185 ( 0.651 14.609 1.399) 14.690 9.217 ( -0.652 14.886 0.592) 14.912 9.533 ( 0.409 0.977 -5.586) 5.685 9.544 ( -0.066 0.445 -5.176) 5.195 9.879 ( 0.260 6.130 7.847) 9.961 9.905 ( -0.834 5.751 7.822) 9.745 10.517 ( 0.290 -1.581 -5.761) 5.982 10.542 ( -0.746 -1.450 -6.157) 6.369 ======================= Grid point 213 (76/140) ======================= q-point: (-0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -1.782 2.546 2.513) 3.996 1.067 ( 1.782 2.546 2.513) 3.996 1.208 ( -1.843 -1.460 -0.081) 2.353 1.208 ( 1.843 -1.460 -0.081) 2.353 1.551 ( -1.854 3.798 3.827) 5.701 1.551 ( 1.854 3.798 3.827) 5.701 1.946 ( -2.150 -2.171 -2.868) 4.191 1.946 ( 2.150 -2.171 -2.868) 4.191 2.045 ( -1.160 -3.165 0.153) 3.374 2.045 ( 1.160 -3.165 0.153) 3.374 2.356 ( -5.091 -4.029 -5.235) 8.340 2.356 ( 5.091 -4.029 -5.235) 8.340 2.738 ( -3.624 4.428 2.167) 6.118 2.738 ( 3.624 4.428 2.167) 6.118 3.020 ( -1.036 0.642 -2.705) 2.966 3.020 ( 1.036 0.642 -2.705) 2.966 3.327 ( -10.849 1.513 2.054) 11.145 3.327 ( 10.849 1.513 2.054) 11.145 3.482 ( -11.803 -1.724 -3.071) 12.317 3.482 ( 11.803 -1.724 -3.071) 12.317 4.394 ( -0.412 18.959 7.914) 20.549 4.394 ( 0.412 18.959 7.914) 20.549 4.914 ( -0.278 9.548 -3.082) 10.037 4.914 ( 0.278 9.548 -3.082) 10.037 7.369 ( -12.631 0.519 2.611) 12.908 7.369 ( 12.631 0.519 2.611) 12.908 7.643 ( -6.403 -2.153 -2.850) 7.332 7.643 ( 6.403 -2.153 -2.850) 7.332 9.201 ( -0.814 14.736 1.140) 14.803 9.201 ( 0.814 14.736 1.140) 14.803 9.541 ( -0.277 0.662 -5.324) 5.372 9.541 ( 0.277 0.662 -5.324) 5.372 9.889 ( -0.634 5.937 7.851) 9.863 9.889 ( 0.634 5.937 7.851) 9.863 10.527 ( -0.601 -1.540 -5.923) 6.149 10.527 ( 0.601 -1.540 -5.923) 6.149 ======================= Grid point 217 (77/140) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.000 1.558 1.505) 2.166 1.099 ( 0.000 -0.354 2.034) 2.065 1.234 ( 0.000 0.704 0.940) 1.174 1.286 ( 0.000 -0.997 -1.534) 1.829 1.504 ( 0.000 12.397 1.437) 12.480 1.609 ( 0.000 1.842 0.603) 1.939 1.838 ( 0.000 4.904 -5.731) 7.542 1.844 ( 0.000 -5.807 -4.782) 7.522 1.913 ( 0.000 2.699 1.421) 3.050 2.098 ( 0.000 -5.703 -1.973) 6.035 2.135 ( 0.000 -2.395 -0.822) 2.532 2.368 ( 0.000 -9.702 -4.628) 10.749 2.487 ( 0.000 2.183 -1.056) 2.425 2.621 ( 0.000 -2.864 -7.493) 8.022 2.899 ( 0.000 -2.850 -1.029) 3.030 2.995 ( 0.000 -0.568 -2.020) 2.098 3.094 ( 0.000 -2.539 0.595) 2.608 3.103 ( 0.000 0.637 0.407) 0.756 4.172 ( 0.000 1.783 -0.483) 1.848 4.182 ( 0.000 1.722 -1.161) 2.077 4.658 ( 0.000 15.052 5.256) 15.944 4.746 ( 0.000 13.253 4.893) 14.127 5.009 ( 0.000 3.890 -2.367) 4.553 5.047 ( 0.000 3.201 -1.591) 3.575 6.851 ( 0.000 5.885 3.838) 7.026 7.237 ( 0.000 -5.782 -3.623) 6.824 7.824 ( 0.000 0.219 -0.232) 0.319 7.870 ( 0.000 -0.279 -1.343) 1.371 9.458 ( 0.000 13.787 -3.117) 14.135 9.521 ( 0.000 13.207 -3.779) 13.737 9.580 ( 0.000 4.261 -4.193) 5.978 9.588 ( 0.000 3.817 -4.267) 5.725 9.979 ( 0.000 4.604 6.710) 8.138 10.022 ( 0.000 4.626 6.323) 7.834 10.437 ( 0.000 -6.219 -3.869) 7.324 10.492 ( 0.000 -5.862 -4.932) 7.661 ======================= Grid point 218 (78/140) ======================= q-point: ( 0.17 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.052 1.530 1.745) 2.321 1.115 ( 1.183 -0.204 1.592) 1.994 1.210 ( -2.166 0.758 1.157) 2.570 1.262 ( -1.781 -0.624 -0.882) 2.083 1.544 ( 3.128 10.338 1.294) 10.878 1.621 ( 1.018 2.701 1.102) 3.090 1.839 ( 0.539 -2.745 -4.857) 5.605 1.890 ( 2.792 1.148 -4.163) 5.143 1.929 ( 1.663 1.708 0.227) 2.395 2.076 ( -1.964 -4.345 -1.970) 5.159 2.129 ( -0.011 -4.245 -0.991) 4.359 2.355 ( -1.274 -9.242 -4.867) 10.523 2.561 ( 6.380 3.165 -0.834) 7.171 2.678 ( 5.404 -1.531 -6.508) 8.597 2.923 ( 2.181 -2.774 -1.712) 3.922 2.994 ( -0.055 0.194 -1.688) 1.700 3.094 ( 0.296 -3.319 0.276) 3.344 3.109 ( 0.556 0.004 0.386) 0.677 4.023 ( -12.369 2.164 0.517) 12.567 4.074 ( -10.179 0.722 -1.528) 10.319 4.681 ( 1.564 14.472 4.893) 15.357 4.740 ( -0.444 13.642 4.817) 14.474 5.020 ( 0.833 3.878 -2.274) 4.572 5.048 ( 0.099 3.293 -1.638) 3.679 6.937 ( 7.635 5.315 3.465) 9.927 7.293 ( 4.954 -5.286 -3.409) 8.007 7.770 ( -4.907 0.508 -0.016) 4.934 7.837 ( -3.092 -0.649 -1.487) 3.492 9.461 ( 0.321 13.743 -3.044) 14.079 9.516 ( -0.465 13.065 -3.607) 13.561 9.583 ( 0.196 4.338 -4.318) 6.124 9.588 ( 0.035 3.765 -4.031) 5.516 9.978 ( -0.041 4.591 6.715) 8.135 10.016 ( -0.574 4.621 6.380) 7.898 10.437 ( 0.079 -6.212 -3.899) 7.335 10.485 ( -0.587 -5.896 -4.823) 7.640 ======================= Grid point 219 (79/140) ======================= q-point: ( 0.33 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.579 1.893 1.785) 2.666 1.143 ( 0.813 0.065 1.154) 1.414 1.158 ( -1.689 0.805 1.412) 2.344 1.223 ( -1.822 -0.952 -0.123) 2.059 1.609 ( 2.523 7.084 1.561) 7.680 1.644 ( 0.801 4.574 1.866) 5.004 1.862 ( 1.669 -3.088 -4.274) 5.530 1.925 ( 0.546 0.317 -3.123) 3.186 1.965 ( 0.812 -1.533 -0.806) 1.913 2.026 ( -2.392 -2.862 -1.176) 3.911 2.161 ( 3.237 -5.849 -3.150) 7.390 2.313 ( -2.640 -8.329 -5.233) 10.184 2.716 ( 7.040 5.046 0.408) 8.671 2.824 ( 5.528 2.495 -3.101) 6.812 2.977 ( 2.519 -0.551 -2.695) 3.730 3.009 ( 1.814 -0.271 -2.149) 2.825 3.125 ( 3.813 -3.211 0.747) 5.041 3.164 ( 6.553 -3.340 -0.949) 7.416 3.698 ( -17.022 1.568 1.140) 17.132 3.781 ( -16.308 -1.155 -1.788) 16.447 4.708 ( 0.895 14.177 4.706) 14.965 4.731 ( -0.397 14.080 4.739) 14.861 5.037 ( 0.617 3.756 -2.109) 4.351 5.049 ( -0.006 3.489 -1.779) 3.917 7.149 ( 11.467 3.978 2.573) 12.408 7.431 ( 7.500 -4.082 -2.914) 9.023 7.621 ( -8.925 1.247 0.609) 9.032 7.740 ( -5.823 -1.537 -1.849) 6.300 9.471 ( 0.645 13.601 -2.930) 13.928 9.503 ( -0.699 13.091 -3.256) 13.507 9.586 ( 0.114 4.084 -4.341) 5.961 9.589 ( 0.022 3.801 -3.766) 5.350 9.979 ( 0.166 4.573 6.703) 8.116 10.001 ( -0.768 4.604 6.510) 8.011 10.441 ( 0.329 -6.176 -4.015) 7.374 10.469 ( -0.846 -5.984 -4.551) 7.566 ======================= Grid point 220 (80/140) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -1.506 1.923 1.759) 3.010 1.111 ( 1.506 1.923 1.759) 3.010 1.184 ( -1.825 -0.967 0.427) 2.109 1.184 ( 1.825 -0.967 0.427) 2.109 1.645 ( -0.808 5.614 1.984) 6.009 1.645 ( 0.808 5.614 1.984) 6.009 1.905 ( -2.048 -2.258 -4.147) 5.147 1.905 ( 2.048 -2.258 -4.147) 5.147 1.984 ( -1.413 -2.267 -0.301) 2.688 1.984 ( 1.413 -2.267 -0.301) 2.688 2.243 ( -3.816 -7.081 -4.921) 9.429 2.243 ( 3.816 -7.081 -4.921) 9.429 2.830 ( -3.387 4.902 0.502) 5.979 2.830 ( 3.387 4.902 0.502) 5.979 3.022 ( -0.923 -0.560 -2.728) 2.934 3.022 ( 0.923 -0.560 -2.728) 2.934 3.333 ( -12.731 -0.307 0.852) 12.764 3.333 ( 12.731 -0.307 0.852) 12.764 3.428 ( -13.629 -3.275 -2.002) 14.160 3.428 ( 13.629 -3.275 -2.002) 14.160 4.722 ( -0.493 14.182 4.712) 14.953 4.722 ( 0.493 14.182 4.712) 14.953 5.046 ( -0.295 3.629 -1.944) 4.127 5.046 ( 0.295 3.629 -1.944) 4.127 7.399 ( -11.450 2.503 1.506) 11.817 7.399 ( 11.450 2.503 1.506) 11.817 7.596 ( -7.511 -2.766 -2.323) 8.335 7.596 ( 7.511 -2.766 -2.323) 8.335 9.487 ( -0.787 13.353 -2.979) 13.704 9.487 ( 0.787 13.353 -2.979) 13.704 9.588 ( -0.080 3.848 -3.991) 5.545 9.588 ( 0.080 3.848 -3.991) 5.545 9.986 ( -0.543 4.580 6.635) 8.080 9.986 ( 0.543 4.580 6.635) 8.080 10.452 ( -0.686 -6.093 -4.244) 7.457 10.452 ( 0.686 -6.093 -4.244) 7.457 ======================= Grid point 224 (81/140) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.000 0.214 1.916) 1.928 1.102 ( 0.000 0.005 1.378) 1.378 1.254 ( 0.000 1.165 0.070) 1.167 1.273 ( 0.000 -0.648 -0.968) 1.165 1.652 ( 0.000 3.023 -1.525) 3.386 1.731 ( 0.000 1.045 -1.779) 2.063 1.737 ( 0.000 4.690 -2.421) 5.278 1.901 ( 0.000 -3.013 -4.224) 5.188 1.995 ( 0.000 1.645 0.525) 1.727 2.015 ( 0.000 5.267 -2.720) 5.928 2.069 ( 0.000 -4.194 -1.406) 4.423 2.176 ( 0.000 -9.501 -3.594) 10.158 2.522 ( 0.000 1.640 -4.880) 5.148 2.563 ( 0.000 -2.691 -7.227) 7.712 2.884 ( 0.000 1.411 -1.298) 1.917 2.941 ( 0.000 -3.818 -2.165) 4.389 3.089 ( 0.000 0.974 0.814) 1.269 3.105 ( 0.000 -0.438 0.347) 0.559 4.194 ( 0.000 0.556 -0.291) 0.627 4.197 ( 0.000 0.171 -0.453) 0.485 4.900 ( 0.000 9.623 2.256) 9.884 4.949 ( 0.000 7.475 1.725) 7.671 5.025 ( 0.000 -2.675 -0.085) 2.676 5.046 ( 0.000 -2.790 -0.570) 2.847 6.978 ( 0.000 6.888 1.047) 6.967 7.113 ( 0.000 -6.784 -1.498) 6.947 7.837 ( 0.000 1.012 -0.966) 1.399 7.858 ( 0.000 -0.938 -1.469) 1.743 9.655 ( 0.000 5.109 -4.770) 6.990 9.663 ( 0.000 3.047 -4.106) 5.113 9.667 ( 0.000 3.700 -2.722) 4.594 9.688 ( 0.000 2.961 -3.600) 4.662 10.094 ( 0.000 8.040 3.517) 8.776 10.147 ( 0.000 8.772 2.155) 9.033 10.278 ( 0.000 -9.607 -1.050) 9.665 10.338 ( 0.000 -9.572 -2.475) 9.887 ======================= Grid point 225 (82/140) ======================= q-point: ( 0.17 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.501 0.634 1.627) 1.816 1.112 ( 0.865 -0.286 1.517) 1.770 1.230 ( -2.029 1.176 0.407) 2.381 1.249 ( -1.897 -0.733 -0.472) 2.088 1.665 ( 1.285 3.315 -1.504) 3.861 1.743 ( 1.052 -3.050 -2.787) 4.264 1.761 ( 1.815 8.287 -0.838) 8.525 1.934 ( 2.225 -5.401 -2.947) 6.543 1.978 ( -1.372 1.896 -1.630) 2.852 2.009 ( -0.341 5.631 -2.131) 6.030 2.051 ( -1.363 -3.588 -1.709) 4.202 2.169 ( -0.702 -9.240 -3.801) 10.015 2.613 ( 8.073 1.992 -4.283) 9.353 2.645 ( 7.662 -1.598 -6.349) 10.078 2.900 ( 1.541 0.869 -1.632) 2.407 2.950 ( 0.877 -3.622 -2.248) 4.352 3.080 ( -0.675 1.096 0.901) 1.571 3.102 ( -0.233 -0.803 0.324) 0.897 4.054 ( -12.063 1.154 0.116) 12.118 4.071 ( -11.350 -0.612 -0.498) 11.378 4.915 ( 1.043 9.293 2.049) 9.574 4.948 ( -0.051 7.649 1.739) 7.844 5.037 ( 0.825 -2.504 -0.207) 2.644 5.047 ( 0.140 -2.900 -0.506) 2.947 7.053 ( 6.706 6.368 0.936) 9.295 7.179 ( 5.822 -6.276 -1.427) 8.679 7.790 ( -4.346 1.359 -0.827) 4.628 7.817 ( -3.721 -1.300 -1.444) 4.198 9.656 ( 0.111 4.924 -4.620) 6.753 9.662 ( -0.096 3.145 -3.901) 5.011 9.666 ( -0.036 3.672 -2.791) 4.612 9.686 ( -0.135 2.969 -3.591) 4.661 10.094 ( 0.003 8.103 3.482) 8.819 10.140 ( -0.609 8.746 2.276) 9.058 10.278 ( 0.084 -9.621 -1.102) 9.684 10.331 ( -0.627 -9.579 -2.346) 9.882 ======================= Grid point 226 (83/140) ======================= q-point: ( 0.33 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 314 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.930 1.153 1.370) 2.018 1.136 ( 1.269 -0.636 1.297) 1.923 1.182 ( -2.164 1.330 0.909) 2.698 1.205 ( -2.027 -0.984 0.312) 2.274 1.705 ( 2.332 3.791 -0.813) 4.524 1.773 ( 1.085 2.039 -0.543) 2.372 1.793 ( 1.279 1.815 -2.021) 3.002 1.913 ( -3.034 -4.224 -0.902) 5.278 1.985 ( 0.345 1.623 -3.828) 4.172 2.004 ( -0.481 4.295 -2.446) 4.966 2.044 ( 1.844 -5.092 -3.348) 6.367 2.144 ( -1.670 -8.436 -4.153) 9.550 2.817 ( 8.828 4.784 -1.886) 10.216 2.859 ( 9.621 0.790 -3.930) 10.422 2.953 ( 3.233 -1.111 -2.734) 4.377 2.978 ( 1.744 -3.317 -2.799) 4.678 3.087 ( 3.549 0.656 1.018) 3.750 3.119 ( 3.711 -1.940 0.167) 4.191 3.724 ( -17.825 1.299 0.320) 17.875 3.752 ( -17.595 -1.560 -0.616) 17.675 4.933 ( 0.643 8.846 1.844) 9.059 4.947 ( -0.076 8.087 1.801) 8.285 5.050 ( 0.308 -2.357 -0.521) 2.434 5.052 ( 0.268 -3.100 -0.266) 3.123 7.240 ( 10.119 5.108 0.604) 11.351 7.341 ( 8.802 -5.042 -1.319) 10.229 7.657 ( -7.947 2.284 -0.435) 8.280 7.703 ( -6.869 -2.250 -1.375) 7.357 9.659 ( 0.086 3.971 -3.940) 5.594 9.661 ( 0.152 4.022 -3.691) 5.461 9.665 ( -0.026 3.394 -3.060) 4.570 9.681 ( -0.373 3.111 -3.617) 4.785 10.096 ( 0.264 8.267 3.328) 8.916 10.123 ( -0.861 8.653 2.600) 9.076 10.283 ( 0.366 -9.641 -1.282) 9.733 10.313 ( -0.916 -9.602 -2.012) 9.853 ======================= Grid point 227 (84/140) ======================= q-point: (-0.50 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -1.467 1.416 1.177) 2.354 1.143 ( 1.467 1.416 1.177) 2.354 1.166 ( -1.615 -0.965 0.865) 2.070 1.166 ( 1.615 -0.965 0.865) 2.070 1.755 ( -2.099 5.264 0.311) 5.675 1.755 ( 2.099 5.264 0.311) 5.675 1.844 ( -3.126 -3.904 -2.326) 5.516 1.844 ( 3.126 -3.904 -2.326) 5.516 1.991 ( -0.518 3.231 -3.014) 4.448 1.991 ( 0.518 3.231 -3.014) 4.448 2.099 ( -2.548 -7.131 -4.249) 8.683 2.099 ( 2.548 -7.131 -4.249) 8.683 2.923 ( -1.861 4.364 -1.056) 4.860 2.923 ( 1.861 4.364 -1.056) 4.860 2.992 ( -0.838 -2.569 -2.178) 3.471 2.992 ( 0.838 -2.569 -2.178) 3.471 3.334 ( -13.659 0.812 -0.133) 13.684 3.334 ( 13.659 0.812 -0.133) 13.684 3.369 ( -13.838 -2.587 -0.999) 14.113 3.369 ( 13.838 -2.587 -0.999) 14.113 4.943 ( -0.305 8.489 1.816) 8.686 4.943 ( 0.305 8.489 1.816) 8.686 5.054 ( -0.087 -2.758 -0.402) 2.788 5.054 ( 0.087 -2.758 -0.402) 2.788 7.461 ( -10.145 3.626 0.094) 10.774 7.461 ( 10.145 3.626 0.094) 10.774 7.533 ( -8.807 -3.587 -1.300) 9.598 7.533 ( 8.807 -3.587 -1.300) 9.598 9.661 ( -0.109 3.770 -3.251) 4.979 9.661 ( 0.109 3.770 -3.251) 4.979 9.671 ( -0.478 3.425 -3.754) 5.104 9.671 ( 0.478 3.425 -3.754) 5.104 10.106 ( -0.672 8.477 3.006) 9.019 10.106 ( 0.672 8.477 3.006) 9.019 10.295 ( -0.757 -9.631 -1.610) 9.794 10.295 ( 0.757 -9.631 -1.610) 9.794 ======================= Grid point 273 (85/140) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.000 0.000 8.447) 8.447 0.841 ( 0.000 0.000 13.630) 13.630 0.922 ( 0.000 0.000 -0.848) 0.848 1.274 ( 0.000 0.000 -6.895) 6.895 1.343 ( 0.000 0.000 3.683) 3.683 1.499 ( 0.000 0.000 -5.011) 5.011 1.602 ( 0.000 0.000 4.698) 4.698 1.751 ( 0.000 0.000 -2.463) 2.463 2.055 ( 0.000 0.000 2.171) 2.171 2.083 ( 0.000 0.000 0.983) 0.983 2.104 ( 0.000 0.000 -0.064) 0.064 2.124 ( 0.000 0.000 -1.637) 1.637 2.321 ( 0.000 0.000 1.624) 1.624 2.365 ( 0.000 0.000 -0.546) 0.546 2.383 ( 0.000 0.000 13.816) 13.816 2.608 ( 0.000 0.000 -2.633) 2.633 2.934 ( 0.000 0.000 12.699) 12.699 3.181 ( 0.000 0.000 11.219) 11.219 3.287 ( 0.000 0.000 -1.930) 1.930 3.537 ( 0.000 0.000 -11.236) 11.236 3.596 ( 0.000 0.000 10.502) 10.502 4.176 ( 0.000 0.000 -14.048) 14.048 4.447 ( 0.000 0.000 4.595) 4.595 4.586 ( 0.000 0.000 -2.232) 2.232 6.887 ( 0.000 0.000 11.339) 11.339 7.335 ( 0.000 0.000 -11.053) 11.053 7.978 ( 0.000 0.000 1.761) 1.761 8.011 ( 0.000 0.000 0.392) 0.392 9.101 ( 0.000 0.000 23.689) 23.689 9.334 ( 0.000 0.000 16.889) 16.889 9.347 ( 0.000 0.000 9.118) 9.118 9.508 ( 0.000 0.000 9.607) 9.607 9.680 ( 0.000 0.000 -7.299) 7.299 9.854 ( 0.000 0.000 -7.484) 7.484 9.915 ( 0.000 0.000 -16.319) 16.319 10.011 ( 0.000 0.000 -16.691) 16.691 ======================= Grid point 274 (86/140) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 2.641 0.000 7.367) 7.826 0.887 ( 3.065 0.000 9.540) 10.021 0.927 ( 0.362 0.000 -0.473) 0.596 1.177 ( -4.550 0.000 -4.027) 6.076 1.495 ( 10.057 0.000 2.576) 10.382 1.597 ( 7.902 0.000 -3.214) 8.530 1.598 ( -0.214 0.000 4.153) 4.158 1.725 ( -2.207 0.000 -1.869) 2.892 2.080 ( 2.616 0.000 0.999) 2.800 2.099 ( 1.307 0.000 0.696) 1.481 2.113 ( 0.821 0.000 0.020) 0.822 2.115 ( -0.674 0.000 -1.014) 1.218 2.325 ( 0.297 0.000 1.486) 1.516 2.362 ( -0.282 0.000 -0.360) 0.458 2.370 ( -1.365 0.000 13.287) 13.357 2.593 ( -1.612 0.000 -2.563) 3.028 2.952 ( 1.703 0.000 11.792) 11.915 3.161 ( -1.709 0.000 10.497) 10.635 3.274 ( -1.132 0.000 -0.887) 1.438 3.480 ( -4.877 0.000 -8.995) 10.233 3.630 ( 3.064 0.000 8.784) 9.303 4.156 ( -2.228 0.000 -12.230) 12.431 4.415 ( -2.586 0.000 3.130) 4.060 4.542 ( -3.673 0.000 -2.441) 4.410 6.997 ( 9.716 0.000 10.195) 14.083 7.403 ( 5.946 0.000 -10.246) 11.846 7.935 ( -4.132 0.000 2.001) 4.591 7.981 ( -2.874 0.000 -0.045) 2.874 9.101 ( 0.080 0.000 23.686) 23.686 9.298 ( -3.090 0.000 18.301) 18.560 9.361 ( 1.272 0.000 9.136) 9.224 9.501 ( -0.729 0.000 9.519) 9.547 9.695 ( 1.400 0.000 -7.265) 7.399 9.846 ( -0.764 0.000 -7.464) 7.503 9.920 ( 0.445 0.000 -16.451) 16.457 10.005 ( -0.594 0.000 -16.796) 16.806 ======================= Grid point 275 (87/140) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 3.313 0.000 4.989) 5.989 0.929 ( -0.372 0.000 0.670) 0.766 0.944 ( 2.488 0.000 4.487) 5.131 1.089 ( -4.002 0.000 -2.372) 4.652 1.599 ( 0.430 0.000 2.764) 2.797 1.670 ( -2.658 0.000 -0.582) 2.721 1.724 ( 9.302 0.000 2.616) 9.663 1.765 ( 6.569 0.000 0.414) 6.582 2.111 ( 1.217 0.000 1.746) 2.128 2.127 ( 1.110 0.000 0.351) 1.164 2.133 ( 0.804 0.000 0.132) 0.815 2.186 ( 7.212 0.000 -1.749) 7.421 2.316 ( -3.772 0.000 11.066) 11.691 2.333 ( 0.451 0.000 1.122) 1.209 2.354 ( -0.462 0.000 0.099) 0.473 2.526 ( -4.968 0.000 -2.684) 5.646 3.003 ( 2.840 0.000 9.883) 10.283 3.117 ( -2.256 0.000 9.149) 9.423 3.251 ( -0.648 0.000 0.050) 0.650 3.358 ( -5.689 0.000 -5.176) 7.692 3.728 ( 6.122 0.000 6.302) 8.786 4.061 ( -6.859 0.000 -5.030) 8.506 4.372 ( -0.732 0.000 -1.759) 1.906 4.456 ( -3.863 0.000 -3.527) 5.231 7.262 ( 14.159 0.000 7.509) 16.027 7.562 ( 8.327 0.000 -7.562) 11.249 7.798 ( -8.816 0.000 2.801) 9.250 7.888 ( -5.826 0.000 -1.409) 5.994 9.112 ( 1.137 0.000 23.440) 23.467 9.222 ( -3.629 0.000 20.716) 21.031 9.397 ( 1.987 0.000 9.188) 9.401 9.478 ( -1.431 0.000 9.379) 9.488 9.735 ( 2.159 0.000 -7.265) 7.579 9.821 ( -1.537 0.000 -7.409) 7.566 9.935 ( 0.936 0.000 -16.764) 16.791 9.986 ( -1.152 0.000 -16.956) 16.995 ======================= Grid point 276 (88/140) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -2.079 0.000 2.560) 3.298 0.904 ( 2.079 0.000 2.560) 3.298 1.007 ( -3.519 0.000 0.779) 3.604 1.007 ( 3.519 0.000 0.779) 3.604 1.622 ( -1.744 0.000 1.034) 2.028 1.622 ( 1.744 0.000 1.034) 2.028 1.832 ( -1.028 0.000 1.211) 1.589 1.832 ( 1.028 0.000 1.211) 1.589 2.141 ( -0.123 0.000 0.206) 0.240 2.141 ( 0.123 0.000 0.206) 0.240 2.195 ( -5.870 0.000 7.089) 9.204 2.195 ( 5.870 0.000 7.089) 9.204 2.343 ( -0.497 0.000 0.634) 0.805 2.343 ( 0.497 0.000 0.634) 0.805 2.377 ( -8.588 0.000 -2.788) 9.029 2.377 ( 8.588 0.000 -2.788) 9.029 3.064 ( -2.773 0.000 8.679) 9.111 3.064 ( 2.773 0.000 8.679) 9.111 3.267 ( -2.534 0.000 -1.449) 2.919 3.267 ( 2.534 0.000 -1.449) 2.919 3.887 ( -8.493 0.000 2.141) 8.759 3.887 ( 8.493 0.000 2.141) 8.759 4.390 ( -2.194 0.000 -4.315) 4.841 4.390 ( 2.194 0.000 -4.315) 4.841 7.561 ( -13.070 0.000 4.699) 13.889 7.561 ( 13.070 0.000 4.699) 13.889 7.739 ( -7.889 0.000 -4.056) 8.870 7.739 ( 7.889 0.000 -4.056) 8.870 9.153 ( -2.689 0.000 22.473) 22.633 9.153 ( 2.689 0.000 22.473) 22.633 9.441 ( -1.963 0.000 9.270) 9.475 9.441 ( 1.963 0.000 9.270) 9.475 9.782 ( -2.123 0.000 -7.331) 7.632 9.782 ( 2.123 0.000 -7.331) 7.632 9.959 ( -1.288 0.000 -16.979) 17.028 9.959 ( 1.288 0.000 -16.979) 17.028 ======================= Grid point 280 (89/140) ======================= q-point: ( 0.00 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 0.000 2.544 12.604) 12.858 0.936 ( 0.000 14.255 7.093) 15.922 1.081 ( 0.000 11.840 -0.346) 11.845 1.234 ( 0.000 -2.565 -4.426) 5.115 1.309 ( 0.000 -2.640 2.451) 3.603 1.431 ( 0.000 -3.150 -4.846) 5.780 1.778 ( 0.000 12.965 2.174) 13.146 1.837 ( 0.000 -1.066 -0.404) 1.140 2.041 ( 0.000 0.080 0.058) 0.099 2.061 ( 0.000 5.788 -1.229) 5.917 2.218 ( 0.000 8.699 5.507) 10.295 2.275 ( 0.000 10.752 0.101) 10.753 2.331 ( 0.000 2.020 0.942) 2.229 2.338 ( 0.000 -0.725 0.655) 0.978 2.557 ( 0.000 14.971 5.958) 16.113 2.661 ( 0.000 5.313 -1.480) 5.516 2.963 ( 0.000 3.354 12.174) 12.628 3.213 ( 0.000 3.901 9.278) 10.065 3.277 ( 0.000 -1.068 -2.013) 2.279 3.563 ( 0.000 3.058 -10.736) 11.163 3.611 ( 0.000 2.254 12.065) 12.274 4.198 ( 0.000 2.604 -13.677) 13.923 4.442 ( 0.000 -0.450 4.737) 4.758 4.588 ( 0.000 0.287 -2.433) 2.450 6.881 ( 0.000 -0.510 11.261) 11.273 7.323 ( 0.000 -1.151 -10.876) 10.937 7.962 ( 0.000 -1.634 1.607) 2.292 7.992 ( 0.000 -1.853 0.357) 1.887 9.063 ( 0.000 -2.972 19.859) 20.081 9.142 ( 0.000 -7.813 14.385) 16.370 9.568 ( 0.000 10.222 11.361) 15.283 9.590 ( 0.000 -7.036 -9.115) 11.514 9.599 ( 0.000 9.044 11.261) 14.443 9.695 ( 0.000 -9.026 -10.870) 14.128 10.071 ( 0.000 8.844 -12.175) 15.048 10.108 ( 0.000 7.699 -14.382) 16.313 ======================= Grid point 281 (90/140) ======================= q-point: ( 0.17 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 2.104 2.019 8.658) 9.136 0.960 ( 1.871 13.122 6.089) 14.587 1.081 ( -0.037 11.292 -0.201) 11.294 1.155 ( -4.088 -1.003 -3.748) 5.636 1.422 ( 8.549 -4.424 3.329) 10.185 1.543 ( 7.945 -3.039 -2.232) 8.795 1.771 ( -0.401 11.956 1.819) 12.101 1.831 ( -0.644 2.621 -1.221) 2.962 2.053 ( 1.529 0.295 0.635) 1.682 2.095 ( 3.008 4.487 -1.508) 5.608 2.214 ( -0.297 7.728 5.113) 9.271 2.279 ( 0.453 11.159 -0.013) 11.168 2.336 ( 0.486 2.208 0.882) 2.427 2.338 ( -0.055 -0.373 0.779) 0.865 2.546 ( -1.115 15.477 5.821) 16.573 2.645 ( -1.632 5.332 -1.258) 5.716 2.979 ( 1.480 3.005 11.253) 11.741 3.190 ( -1.977 3.411 8.296) 9.185 3.267 ( -0.808 -0.474 -0.630) 1.129 3.502 ( -5.066 2.662 -8.142) 9.952 3.647 ( 3.095 2.373 9.851) 10.595 4.176 ( -2.419 2.378 -11.614) 12.100 4.412 ( -2.377 -0.196 3.025) 3.852 4.545 ( -3.577 0.428 -2.664) 4.481 6.989 ( 9.512 -0.744 10.094) 13.889 7.388 ( 5.688 -1.460 -9.960) 11.563 7.917 ( -4.204 -1.715 1.858) 4.906 7.961 ( -2.916 -1.909 -0.096) 3.487 9.063 ( 0.039 -2.869 19.969) 20.174 9.133 ( -0.749 -7.482 15.067) 16.839 9.559 ( -0.709 10.463 11.133) 15.295 9.582 ( -0.657 3.329 4.736) 5.826 9.611 ( 1.034 -2.179 -2.781) 3.681 9.696 ( -0.075 -8.344 -10.223) 13.196 10.071 ( 0.009 8.838 -12.386) 15.216 10.104 ( -0.347 7.787 -14.331) 16.314 ======================= Grid point 282 (91/140) ======================= q-point: ( 0.33 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 2.166 0.871 4.276) 4.872 0.999 ( 1.388 10.146 3.949) 10.976 1.070 ( -1.530 5.561 -0.877) 5.834 1.086 ( -1.891 6.153 -1.229) 6.553 1.612 ( 7.331 -4.419 4.101) 9.492 1.683 ( 3.833 -3.999 3.238) 6.416 1.775 ( 1.089 10.520 -0.317) 10.581 1.816 ( -0.525 6.929 -2.011) 7.234 2.102 ( 2.941 0.766 1.822) 3.543 2.185 ( 2.254 -0.505 0.407) 2.346 2.223 ( 3.915 9.037 1.734) 10.000 2.295 ( 0.858 8.508 -0.399) 8.561 2.338 ( 0.334 0.316 1.286) 1.366 2.358 ( 1.920 6.303 0.425) 6.603 2.503 ( -3.025 16.606 4.618) 17.500 2.582 ( -4.517 6.221 -0.982) 7.750 3.024 ( 2.586 2.279 9.301) 9.919 3.139 ( -2.596 2.541 7.383) 8.228 3.251 ( -0.287 0.423 0.359) 0.625 3.375 ( -6.068 1.970 -4.596) 7.863 3.743 ( 6.024 2.105 7.218) 9.634 4.075 ( -7.107 1.667 -4.026) 8.337 4.375 ( -0.420 0.627 -2.260) 2.383 4.461 ( -3.750 0.744 -3.777) 5.374 7.249 ( 13.887 -1.288 7.411) 15.793 7.542 ( 8.168 -1.908 -7.276) 11.104 7.779 ( -8.828 -1.845 2.705) 9.416 7.867 ( -5.857 -1.982 -1.465) 6.354 9.068 ( 0.526 -3.117 19.776) 20.027 9.112 ( -1.162 -6.167 16.793) 17.927 9.548 ( -0.207 9.693 10.596) 14.362 9.566 ( -0.744 6.277 8.642) 10.707 9.639 ( 1.475 -5.480 -6.912) 8.943 9.689 ( -0.619 -7.521 -9.375) 12.035 10.073 ( 0.204 8.759 -12.942) 15.629 10.093 ( -0.596 8.083 -14.097) 16.261 ======================= Grid point 283 (92/140) ======================= q-point: (-0.50 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -2.426 0.891 1.670) 3.077 0.985 ( 2.426 0.891 1.670) 3.077 1.060 ( -1.022 9.913 0.812) 9.999 1.060 ( 1.022 9.913 0.812) 9.999 1.701 ( -1.499 -1.863 4.265) 4.890 1.701 ( 1.499 -1.863 4.265) 4.890 1.805 ( -1.024 6.562 -1.465) 6.801 1.805 ( 1.024 6.562 -1.465) 6.801 2.165 ( -2.374 1.156 3.440) 4.337 2.165 ( 2.374 1.156 3.440) 4.337 2.303 ( -0.502 2.430 -0.823) 2.615 2.303 ( 0.502 2.430 -0.823) 2.615 2.394 ( -3.386 7.473 0.729) 8.237 2.394 ( 3.386 7.473 0.729) 8.237 2.463 ( -4.451 13.149 0.690) 13.899 2.463 ( 4.451 13.149 0.690) 13.899 3.082 ( -2.758 1.983 7.722) 8.436 3.082 ( 2.758 1.983 7.722) 8.436 3.275 ( -2.893 1.137 -1.110) 3.301 3.275 ( 2.893 1.137 -1.110) 3.301 3.900 ( -8.394 1.634 2.958) 9.048 3.900 ( 8.394 1.634 2.958) 9.048 4.396 ( -2.197 0.955 -4.617) 5.201 4.396 ( 2.197 0.955 -4.617) 5.201 7.542 ( -12.869 -1.799 4.618) 13.790 7.542 ( 12.869 -1.799 4.618) 13.790 7.718 ( -7.838 -1.972 -3.976) 9.007 7.718 ( 7.838 -1.972 -3.976) 9.007 9.087 ( -1.147 -4.339 18.638) 19.170 9.087 ( 1.147 -4.339 18.638) 19.170 9.552 ( -0.539 8.059 9.865) 12.750 9.552 ( 0.539 8.059 9.865) 12.750 9.669 ( -1.222 -6.739 -8.433) 10.864 9.669 ( 1.222 -6.739 -8.433) 10.864 10.081 ( -0.510 8.486 -13.604) 16.042 10.081 ( 0.510 8.486 -13.604) 16.042 ======================= Grid point 287 (93/140) ======================= q-point: ( 0.00 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 0.000 6.605 9.944) 11.938 1.112 ( 0.000 1.921 5.354) 5.688 1.208 ( 0.000 -0.598 -0.254) 0.649 1.235 ( 0.000 2.998 -3.302) 4.460 1.298 ( 0.000 2.607 3.110) 4.058 1.434 ( 0.000 3.816 -2.622) 4.630 1.757 ( 0.000 -5.098 1.756) 5.392 1.933 ( 0.000 2.974 -4.719) 5.578 2.077 ( 0.000 1.832 0.309) 1.857 2.088 ( 0.000 -1.591 1.042) 1.902 2.310 ( 0.000 -2.201 3.296) 3.963 2.419 ( 0.000 5.473 -1.814) 5.766 2.434 ( 0.000 8.206 4.733) 9.474 2.492 ( 0.000 9.706 0.659) 9.729 2.802 ( 0.000 8.083 0.577) 8.104 2.836 ( 0.000 9.450 -0.812) 9.484 3.090 ( 0.000 8.195 7.154) 10.878 3.249 ( 0.000 -1.677 -1.933) 2.559 3.371 ( 0.000 14.035 6.181) 15.336 3.683 ( 0.000 9.703 -8.321) 12.782 3.749 ( 0.000 13.673 14.733) 20.100 4.302 ( 0.000 8.675 -12.000) 14.807 4.437 ( 0.000 0.171 5.280) 5.283 4.607 ( 0.000 2.087 -3.094) 3.732 6.871 ( 0.000 -0.352 10.867) 10.872 7.293 ( 0.000 -1.802 -10.306) 10.462 7.920 ( 0.000 -2.403 1.211) 2.691 7.945 ( 0.000 -2.725 0.236) 2.736 9.020 ( 0.000 -0.607 13.066) 13.080 9.056 ( 0.000 -0.950 13.283) 13.317 9.459 ( 0.000 -5.681 -9.633) 11.183 9.537 ( 0.000 -6.857 -10.129) 12.232 9.751 ( 0.000 9.240 12.046) 15.182 9.801 ( 0.000 9.957 10.688) 14.607 10.230 ( 0.000 7.160 -10.824) 12.978 10.258 ( 0.000 7.106 -12.159) 14.083 ======================= Grid point 288 (94/140) ======================= q-point: ( 0.17 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.532 4.851 6.499) 8.127 1.114 ( -1.740 1.577 2.135) 3.174 1.179 ( -0.019 2.946 -0.289) 2.961 1.235 ( -0.268 2.919 -0.824) 3.044 1.382 ( 7.622 0.760 4.882) 9.084 1.530 ( 6.580 2.395 1.027) 7.077 1.778 ( 2.131 -4.032 -0.496) 4.587 1.936 ( 0.141 3.003 -4.485) 5.399 2.087 ( 1.080 1.498 0.820) 2.020 2.107 ( 1.717 -1.804 1.089) 2.718 2.310 ( -0.005 -2.233 2.950) 3.699 2.393 ( -1.083 6.050 0.756) 6.193 2.464 ( 0.953 8.811 1.030) 8.922 2.496 ( 1.278 9.041 0.539) 9.147 2.791 ( -0.804 8.436 1.337) 8.579 2.845 ( 0.497 10.450 -1.143) 10.524 3.092 ( 0.207 7.623 6.987) 10.343 3.237 ( -1.031 -0.472 -1.225) 1.669 3.356 ( -1.323 13.177 5.357) 14.285 3.607 ( -6.236 8.547 -4.787) 11.613 3.781 ( 2.446 13.001 11.764) 17.703 4.265 ( -3.795 6.872 -7.684) 10.985 4.423 ( -0.808 2.210 1.386) 2.731 4.571 ( -2.984 2.718 -3.395) 5.274 6.972 ( 8.939 -0.773 9.713) 13.222 7.352 ( 5.192 -2.090 -9.307) 10.861 7.874 ( -4.400 -2.561 1.520) 5.313 7.913 ( -3.006 -2.784 -0.257) 4.105 9.023 ( 0.287 -0.485 13.315) 13.327 9.052 ( -0.352 -0.749 13.345) 13.371 9.468 ( 0.748 -5.741 -9.639) 11.245 9.533 ( -0.311 -6.627 -9.977) 11.982 9.751 ( 0.037 9.274 11.960) 15.135 9.794 ( -0.650 9.958 10.831) 14.728 10.230 ( 0.025 7.170 -10.936) 13.077 10.255 ( -0.286 7.099 -12.083) 14.017 ======================= Grid point 289 (95/140) ======================= q-point: ( 0.33 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 1.130 3.170 3.385) 4.773 1.059 ( -2.663 1.223 0.094) 2.931 1.193 ( 0.745 4.187 0.529) 4.286 1.225 ( -0.638 3.082 -0.505) 3.187 1.559 ( 7.157 -0.580 6.244) 9.515 1.638 ( 2.905 0.060 6.755) 7.354 1.844 ( 3.496 -0.675 -4.174) 5.486 1.932 ( -0.641 2.815 -3.984) 4.921 2.125 ( 2.317 0.255 1.427) 2.733 2.151 ( 1.881 -2.402 1.516) 3.407 2.315 ( 0.731 -1.638 1.697) 2.469 2.378 ( -0.812 3.633 -1.020) 3.860 2.477 ( 1.708 11.703 2.160) 12.023 2.551 ( 2.493 8.372 -1.144) 8.810 2.776 ( -0.232 11.303 1.960) 11.474 2.844 ( -0.857 12.803 -1.348) 12.902 3.107 ( 1.439 6.418 6.354) 9.145 3.207 ( -1.782 3.206 1.035) 3.811 3.324 ( -1.292 9.628 2.919) 10.143 3.448 ( -7.658 5.661 -2.343) 9.808 3.854 ( 4.526 10.707 9.687) 15.132 4.139 ( -7.487 5.266 0.300) 9.158 4.420 ( 0.639 4.886 -4.193) 6.471 4.502 ( -3.052 4.060 -4.498) 6.785 7.217 ( 13.144 -1.716 7.117) 15.045 7.495 ( 7.750 -2.600 -6.748) 10.600 7.732 ( -8.803 -2.723 2.463) 9.539 7.818 ( -5.886 -2.851 -1.634) 6.741 9.030 ( 0.353 -0.216 13.773) 13.779 9.044 ( -0.335 -0.419 13.459) 13.470 9.488 ( 1.052 -5.867 -9.637) 11.332 9.524 ( -0.567 -6.226 -9.721) 11.558 9.754 ( 0.238 9.406 11.731) 15.038 9.777 ( -0.808 9.859 11.114) 14.879 10.232 ( 0.166 7.178 -11.219) 13.320 10.247 ( -0.448 7.114 -11.869) 13.845 ======================= Grid point 290 (96/140) ======================= q-point: (-0.50 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -2.065 2.026 1.381) 3.206 1.008 ( 2.065 2.026 1.381) 3.206 1.209 ( -0.770 3.553 -0.100) 3.637 1.209 ( 0.770 3.553 -0.100) 3.637 1.652 ( -1.649 -0.912 7.125) 7.370 1.652 ( 1.649 -0.912 7.125) 7.370 1.904 ( -2.022 1.814 -3.923) 4.772 1.904 ( 2.022 1.814 -3.923) 4.772 2.164 ( -0.817 -1.658 1.797) 2.577 2.164 ( 0.817 -1.658 1.797) 2.577 2.345 ( -1.900 0.821 -0.582) 2.150 2.345 ( 1.900 0.821 -0.582) 2.150 2.545 ( -3.188 9.647 0.956) 10.205 2.545 ( 3.188 9.647 0.956) 10.205 2.804 ( -2.517 14.638 -0.413) 14.859 2.804 ( 2.517 14.638 -0.413) 14.859 3.157 ( -2.897 6.319 4.596) 8.333 3.157 ( 2.897 6.319 4.596) 8.333 3.329 ( -2.678 4.602 -0.254) 5.331 3.329 ( 2.678 4.602 -0.254) 5.331 3.978 ( -7.025 7.349 5.973) 11.792 3.978 ( 7.025 7.349 5.973) 11.792 4.448 ( -1.967 5.093 -5.395) 7.676 4.448 ( 1.967 5.093 -5.395) 7.676 7.497 ( -12.268 -2.605 4.370) 13.281 7.497 ( 12.268 -2.605 4.370) 13.281 7.670 ( -7.575 -2.723 -3.844) 8.920 7.670 ( 7.575 -2.723 -3.844) 8.920 9.037 ( -0.330 -0.182 13.744) 13.749 9.037 ( 0.330 -0.182 13.744) 13.749 9.509 ( -0.875 -5.995 -9.623) 11.372 9.509 ( 0.875 -5.995 -9.623) 11.372 9.762 ( -0.574 9.635 11.425) 14.957 9.762 ( 0.574 9.635 11.425) 14.957 10.238 ( -0.375 7.155 -11.561) 13.601 10.238 ( 0.375 7.155 -11.561) 13.601 ======================= Grid point 294 (97/140) ======================= q-point: ( 0.00 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.000 7.031 6.347) 9.472 1.114 ( 0.000 -0.106 3.955) 3.956 1.184 ( 0.000 0.327 0.029) 0.328 1.280 ( 0.000 1.294 -2.563) 2.871 1.319 ( 0.000 -0.484 4.357) 4.384 1.531 ( 0.000 4.799 -1.969) 5.188 1.668 ( 0.000 -3.463 1.872) 3.937 1.932 ( 0.000 -2.631 -6.061) 6.607 2.044 ( 0.000 -2.568 3.423) 4.279 2.108 ( 0.000 1.700 -1.254) 2.113 2.250 ( 0.000 -3.867 2.425) 4.564 2.467 ( 0.000 -1.035 -7.232) 7.306 2.507 ( 0.000 0.548 5.223) 5.252 2.605 ( 0.000 1.776 -0.056) 1.777 2.923 ( 0.000 3.736 0.110) 3.737 2.940 ( 0.000 2.739 -0.845) 2.867 3.147 ( 0.000 -1.340 1.730) 2.188 3.210 ( 0.000 -2.433 -1.454) 2.835 3.755 ( 0.000 20.858 3.788) 21.200 3.912 ( 0.000 11.785 -4.066) 12.466 4.117 ( 0.000 21.303 12.027) 24.463 4.467 ( 0.000 3.662 6.696) 7.632 4.534 ( 0.000 14.004 -8.835) 16.558 4.687 ( 0.000 6.488 -4.135) 7.694 6.872 ( 0.000 0.529 9.886) 9.900 7.255 ( 0.000 -2.065 -9.241) 9.469 7.874 ( 0.000 -2.167 0.810) 2.313 7.895 ( 0.000 -2.222 -0.057) 2.223 9.064 ( 0.000 5.231 7.695) 9.305 9.097 ( 0.000 5.143 8.248) 9.720 9.385 ( 0.000 -1.588 -8.430) 8.578 9.440 ( 0.000 -2.831 -8.407) 8.871 9.921 ( 0.000 7.792 11.200) 13.644 9.972 ( 0.000 7.338 9.836) 12.271 10.343 ( 0.000 4.164 -9.292) 10.182 10.371 ( 0.000 4.207 -10.320) 11.145 ======================= Grid point 295 (98/140) ======================= q-point: ( 0.17 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -1.245 4.069 4.184) 5.967 1.150 ( -2.341 2.646 0.519) 3.571 1.180 ( 2.036 -0.947 1.736) 2.838 1.258 ( -0.944 0.341 -1.529) 1.829 1.402 ( 7.056 0.810 6.106) 9.366 1.604 ( 4.132 3.680 4.852) 7.359 1.703 ( 4.144 -2.866 -3.816) 6.320 1.940 ( 0.599 -2.263 -5.903) 6.350 2.060 ( 1.425 -2.730 3.191) 4.434 2.107 ( -0.010 0.986 -0.388) 1.060 2.250 ( 0.119 -3.730 1.820) 4.152 2.440 ( -1.806 -1.139 -4.946) 5.387 2.551 ( 3.270 1.154 2.222) 4.119 2.618 ( 1.565 2.923 0.099) 3.317 2.915 ( -0.421 3.844 0.638) 3.919 2.950 ( 0.642 2.153 -1.302) 2.597 3.155 ( 0.833 -0.523 1.678) 1.945 3.215 ( 0.648 -2.081 -1.465) 2.626 3.713 ( -4.033 18.780 2.607) 19.384 3.811 ( -8.597 10.451 -1.675) 13.636 4.135 ( 1.307 20.889 10.688) 23.501 4.401 ( -4.750 6.826 4.720) 9.562 4.562 ( 1.510 12.150 -6.117) 13.687 4.669 ( -1.443 7.596 -4.409) 8.900 6.964 ( 8.167 0.068 8.868) 12.055 7.310 ( 4.904 -2.123 -8.383) 9.941 7.824 ( -4.623 -2.303 1.199) 5.302 7.862 ( -3.090 -2.270 -0.584) 3.878 9.068 ( 0.371 5.226 7.864) 9.449 9.097 ( -0.061 5.280 8.285) 9.825 9.392 ( 0.613 -1.683 -8.411) 8.600 9.439 ( -0.052 -2.707 -8.376) 8.802 9.921 ( 0.057 7.768 11.142) 13.583 9.965 ( -0.568 7.405 9.989) 12.448 10.343 ( 0.021 4.153 -9.363) 10.243 10.368 ( -0.310 4.184 -10.234) 11.061 ======================= Grid point 296 (99/140) ======================= q-point: ( 0.33 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.186 3.505 2.934) 4.575 1.098 ( -2.198 2.620 0.680) 3.487 1.206 ( 0.786 -1.270 0.182) 1.504 1.240 ( -0.843 -0.362 -1.357) 1.638 1.561 ( 6.281 0.229 7.564) 9.834 1.651 ( 0.862 0.259 8.790) 8.836 1.827 ( 5.577 -0.544 -5.936) 8.163 1.946 ( -0.392 -1.187 -5.439) 5.581 2.096 ( 1.579 -2.862 2.250) 3.969 2.114 ( 0.693 -1.103 0.974) 1.626 2.264 ( 1.544 -3.373 0.051) 3.710 2.391 ( -2.841 -2.109 -5.111) 6.217 2.629 ( 3.945 4.129 2.571) 6.263 2.681 ( 3.462 4.893 0.313) 6.002 2.916 ( 0.782 3.244 0.240) 3.346 2.960 ( 0.148 1.707 -1.932) 2.582 3.192 ( 3.075 1.517 2.071) 4.006 3.253 ( 3.354 0.298 -1.394) 3.645 3.579 ( -9.648 10.037 0.661) 13.938 3.586 ( -10.157 9.338 -0.115) 13.797 4.166 ( 1.722 19.489 9.889) 21.922 4.296 ( -4.648 11.224 6.795) 13.920 4.589 ( 1.043 11.863 -5.895) 13.287 4.637 ( -1.421 9.611 -5.101) 10.973 7.189 ( 12.154 -0.969 6.558) 13.844 7.447 ( 7.422 -2.247 -6.247) 9.958 7.681 ( -8.705 -2.367 2.226) 9.291 7.765 ( -5.895 -2.357 -1.915) 6.631 9.078 ( 0.515 5.287 8.189) 9.761 9.094 ( -0.170 5.457 8.349) 9.976 9.409 ( 0.861 -1.913 -8.364) 8.623 9.436 ( -0.292 -2.443 -8.324) 8.680 9.924 ( 0.296 7.711 10.971) 13.413 9.950 ( -0.792 7.533 10.336) 12.815 10.344 ( 0.155 4.132 -9.543) 10.400 10.359 ( -0.455 4.142 -10.023) 10.855 ======================= Grid point 297 (100/140) ======================= q-point: (-0.50 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -1.308 3.001 1.825) 3.748 1.060 ( 1.308 3.001 1.825) 3.748 1.222 ( -0.795 -0.923 -0.838) 1.479 1.222 ( 0.795 -0.923 -0.838) 1.479 1.645 ( -1.747 -0.395 8.226) 8.419 1.645 ( 1.747 -0.395 8.226) 8.419 1.914 ( -2.710 -0.585 -4.746) 5.496 1.914 ( 2.710 -0.585 -4.746) 5.496 2.119 ( -0.522 -2.588 1.456) 3.015 2.119 ( 0.522 -2.588 1.456) 3.015 2.321 ( -3.461 -2.893 -3.294) 5.586 2.321 ( 3.461 -2.893 -3.294) 5.586 2.702 ( -1.932 5.760 2.410) 6.536 2.702 ( 1.932 5.760 2.410) 6.536 2.948 ( -1.476 2.188 -2.013) 3.319 2.948 ( 1.476 2.188 -2.013) 3.319 3.304 ( -5.266 6.142 2.281) 8.406 3.304 ( 5.266 6.142 2.281) 8.406 3.418 ( -3.888 3.061 -1.611) 5.204 3.418 ( 3.888 3.061 -1.611) 5.204 4.214 ( -2.929 16.270 8.898) 18.775 4.214 ( 2.929 16.270 8.898) 18.775 4.611 ( -1.081 11.127 -5.693) 12.546 4.611 ( 1.081 11.127 -5.693) 12.546 7.450 ( -11.515 -1.942 3.983) 12.338 7.450 ( 11.515 -1.942 3.983) 12.338 7.620 ( -7.308 -2.335 -3.768) 8.547 7.620 ( 7.308 -2.335 -3.768) 8.547 9.088 ( -0.387 5.424 8.361) 9.973 9.088 ( 0.387 5.424 8.361) 9.973 9.426 ( -0.668 -2.176 -8.320) 8.625 9.426 ( 0.668 -2.176 -8.320) 8.625 9.934 ( -0.632 7.637 10.694) 13.156 9.934 ( 0.632 7.637 10.694) 13.156 10.350 ( -0.364 4.122 -9.775) 10.615 10.350 ( 0.364 4.122 -9.775) 10.615 ======================= Grid point 301 (101/140) ======================= q-point: ( 0.00 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.000 0.640 3.600) 3.657 1.142 ( 0.000 0.152 1.974) 1.980 1.255 ( 0.000 0.899 0.504) 1.031 1.283 ( 0.000 -1.028 -1.347) 1.695 1.351 ( 0.000 7.503 5.651) 9.393 1.614 ( 0.000 3.769 -2.537) 4.544 1.635 ( 0.000 0.240 -0.424) 0.488 1.853 ( 0.000 -4.978 -5.601) 7.494 1.995 ( 0.000 -2.218 5.782) 6.193 2.130 ( 0.000 0.112 -1.840) 1.843 2.163 ( 0.000 -4.893 -0.318) 4.904 2.389 ( 0.000 -6.316 -9.554) 11.453 2.496 ( 0.000 -1.123 2.894) 3.105 2.585 ( 0.000 -3.224 -2.079) 3.837 2.950 ( 0.000 -1.850 -0.441) 1.902 2.962 ( 0.000 0.738 -0.890) 1.156 3.112 ( 0.000 -1.049 1.153) 1.559 3.152 ( 0.000 -3.218 -0.881) 3.336 4.061 ( 0.000 9.502 -0.269) 9.506 4.088 ( 0.000 6.007 -1.312) 6.148 4.496 ( 0.000 16.441 8.882) 18.687 4.615 ( 0.000 11.508 7.641) 13.814 4.788 ( 0.000 10.856 -5.912) 12.362 4.855 ( 0.000 9.611 -4.413) 10.575 6.894 ( 0.000 1.729 8.041) 8.225 7.211 ( 0.000 -2.584 -7.553) 7.983 7.839 ( 0.000 -1.372 0.503) 1.461 7.862 ( 0.000 -1.164 -0.618) 1.318 9.213 ( 0.000 9.648 3.084) 10.129 9.253 ( 0.000 10.374 2.531) 10.678 9.401 ( 0.000 3.132 -6.269) 7.008 9.433 ( 0.000 2.179 -5.939) 6.327 10.045 ( 0.000 4.823 9.424) 10.587 10.085 ( 0.000 4.210 8.402) 9.398 10.386 ( 0.000 0.213 -7.423) 7.427 10.416 ( 0.000 0.304 -8.488) 8.494 ======================= Grid point 302 (102/140) ======================= q-point: ( 0.17 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -0.691 1.740 3.333) 3.823 1.154 ( 0.638 -0.486 1.222) 1.462 1.216 ( -2.698 1.718 0.848) 3.309 1.257 ( -1.323 -0.487 -1.065) 1.767 1.447 ( 6.728 4.812 5.597) 9.988 1.638 ( 0.777 0.313 4.975) 5.045 1.701 ( 6.029 2.254 -6.669) 9.268 1.867 ( 1.224 -4.644 -5.442) 7.258 2.006 ( 0.992 -2.623 5.268) 5.968 2.112 ( -1.317 -1.198 -0.369) 1.818 2.171 ( 0.532 -4.034 -1.412) 4.307 2.366 ( -1.903 -5.899 -8.754) 10.726 2.551 ( 4.829 -0.474 2.082) 5.280 2.625 ( 4.001 -1.611 -1.958) 4.737 2.951 ( -0.335 -0.784 -0.658) 1.077 2.961 ( 0.270 0.133 -0.915) 0.963 3.127 ( 1.534 -1.423 0.851) 2.259 3.158 ( 0.778 -3.363 -0.812) 3.546 3.965 ( -10.549 5.185 -0.030) 11.754 3.972 ( -8.276 7.414 -0.962) 11.153 4.514 ( 1.191 16.597 8.169) 18.537 4.592 ( -1.569 12.838 7.517) 14.959 4.804 ( 1.126 10.818 -5.312) 12.104 4.852 ( -0.265 9.935 -4.485) 10.904 6.978 ( 7.455 1.369 7.275) 10.506 7.267 ( 5.013 -2.405 -6.947) 8.898 7.788 ( -4.677 -1.324 0.892) 4.942 7.828 ( -3.213 -1.276 -1.069) 3.619 9.218 ( 0.399 9.670 3.144) 10.177 9.253 ( -0.030 10.305 2.663) 10.643 9.406 ( 0.427 3.017 -6.227) 6.933 9.435 ( 0.104 2.237 -5.907) 6.317 10.045 ( -0.014 4.778 9.380) 10.526 10.079 ( -0.480 4.247 8.510) 9.523 10.386 ( 0.000 0.202 -7.483) 7.486 10.412 ( -0.351 0.280 -8.388) 8.400 ======================= Grid point 303 (103/140) ======================= q-point: ( 0.33 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.168 2.234 2.865) 3.637 1.148 ( -1.678 2.009 0.876) 2.760 1.183 ( 0.349 -0.690 0.955) 1.228 1.229 ( -1.300 -0.635 -1.123) 1.831 1.580 ( 4.906 2.218 5.915) 7.998 1.653 ( 0.456 0.559 5.289) 5.338 1.817 ( 4.166 -0.852 -4.667) 6.313 1.894 ( 0.691 -3.552 -5.033) 6.198 2.034 ( 1.514 -3.344 3.409) 5.010 2.086 ( -1.063 -2.369 1.115) 2.825 2.190 ( 1.579 -4.126 -2.974) 5.325 2.313 ( -2.976 -5.467 -7.920) 10.073 2.680 ( 6.472 1.940 2.442) 7.184 2.747 ( 5.927 2.124 -0.635) 6.328 2.941 ( -0.038 0.122 -1.116) 1.123 2.972 ( 0.419 -0.012 -2.084) 2.126 3.186 ( 4.545 -1.653 0.915) 4.922 3.216 ( 5.733 -3.416 -1.121) 6.767 3.682 ( -14.942 3.059 1.187) 15.298 3.728 ( -13.858 3.220 -1.834) 14.344 4.535 ( 0.726 16.755 7.769) 18.483 4.564 ( -1.012 14.938 7.694) 16.833 4.825 ( 0.774 10.831 -4.905) 11.916 4.845 ( -0.318 10.465 -4.640) 11.452 7.184 ( 11.201 0.515 5.485) 12.483 7.407 ( 7.585 -2.007 -5.449) 9.552 7.646 ( -8.509 -1.119 1.903) 8.791 7.728 ( -6.027 -1.499 -2.165) 6.577 9.229 ( 0.632 9.756 3.227) 10.295 9.251 ( -0.242 10.129 2.946) 10.552 9.418 ( 0.606 2.758 -6.100) 6.722 9.435 ( -0.091 2.361 -5.878) 6.335 10.046 ( 0.181 4.656 9.248) 10.356 10.066 ( -0.666 4.348 8.763) 9.805 10.387 ( 0.138 0.183 -7.643) 7.647 10.403 ( -0.497 0.228 -8.145) 8.163 ======================= Grid point 304 (104/140) ======================= q-point: (-0.50 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -1.197 2.341 2.165) 3.406 1.114 ( 1.197 2.341 2.165) 3.406 1.202 ( -1.170 -0.854 -0.465) 1.521 1.202 ( 1.170 -0.854 -0.465) 1.521 1.646 ( -1.431 0.965 5.731) 5.986 1.646 ( 1.431 0.965 5.731) 5.986 1.880 ( -1.887 -2.686 -4.086) 5.242 1.880 ( 1.887 -2.686 -4.086) 5.242 2.063 ( -1.156 -3.357 1.967) 4.059 2.063 ( 1.156 -3.357 1.967) 4.059 2.244 ( -3.232 -4.765 -5.949) 8.279 2.244 ( 3.232 -4.765 -5.949) 8.279 2.786 ( -2.506 3.401 2.561) 4.940 2.786 ( 2.506 3.401 2.561) 4.940 2.964 ( -1.333 0.251 -2.948) 3.245 2.964 ( 1.333 0.251 -2.948) 3.245 3.362 ( -9.353 0.369 1.458) 9.474 3.362 ( 9.353 0.369 1.458) 9.474 3.433 ( -9.793 -1.047 -1.929) 10.035 3.433 ( 9.793 -1.047 -1.929) 10.035 4.548 ( -0.579 16.266 7.759) 18.031 4.548 ( 0.579 16.266 7.759) 18.031 4.838 ( -0.422 10.764 -4.771) 11.782 4.838 ( 0.422 10.764 -4.771) 11.782 7.427 ( -10.853 -0.363 3.368) 11.369 7.427 ( 10.853 -0.363 3.368) 11.369 7.580 ( -7.456 -1.808 -3.562) 8.459 7.580 ( 7.456 -1.808 -3.562) 8.459 9.242 ( -0.542 9.921 3.174) 10.430 9.242 ( 0.542 9.921 3.174) 10.430 9.430 ( -0.444 2.520 -5.948) 6.475 9.430 ( 0.444 2.520 -5.948) 6.475 10.053 ( -0.502 4.497 9.035) 10.105 10.053 ( 0.502 4.497 9.035) 10.105 10.393 ( -0.377 0.188 -7.873) 7.885 10.393 ( 0.377 0.188 -7.873) 7.885 ======================= Grid point 308 (105/140) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 0.645 3.176) 3.241 1.144 ( 0.000 0.013 2.506) 2.506 1.246 ( 0.000 -0.372 0.008) 0.372 1.255 ( 0.000 -1.264 -1.719) 2.134 1.541 ( 0.000 10.253 2.560) 10.568 1.631 ( 0.000 0.158 1.747) 1.754 1.718 ( 0.000 5.650 -6.266) 8.437 1.753 ( 0.000 -4.921 -4.477) 6.653 1.971 ( 0.000 0.016 4.708) 4.708 2.063 ( 0.000 -5.080 -1.237) 5.228 2.101 ( 0.000 -3.378 -2.457) 4.177 2.250 ( 0.000 -7.066 -7.650) 10.413 2.468 ( 0.000 -1.740 -0.721) 1.884 2.504 ( 0.000 -4.389 -4.008) 5.943 2.895 ( 0.000 -2.726 0.520) 2.775 2.953 ( 0.000 -1.860 -2.197) 2.878 3.105 ( 0.000 -1.160 0.425) 1.236 3.109 ( 0.000 0.239 0.191) 0.306 4.163 ( 0.000 2.182 -0.458) 2.230 4.164 ( 0.000 2.451 -0.690) 2.546 4.765 ( 0.000 11.479 5.654) 12.795 4.843 ( 0.000 10.009 5.030) 11.202 4.951 ( 0.000 5.798 -3.714) 6.886 5.004 ( 0.000 4.728 -2.943) 5.569 6.939 ( 0.000 2.864 5.196) 5.933 7.152 ( 0.000 -3.420 -5.135) 6.170 7.822 ( 0.000 -0.451 0.049) 0.454 7.845 ( 0.000 -0.724 -1.161) 1.368 9.419 ( 0.000 10.566 -0.740) 10.592 9.471 ( 0.000 10.846 -1.373) 10.933 9.494 ( 0.000 5.695 -4.201) 7.077 9.515 ( 0.000 5.663 -3.254) 6.531 10.111 ( 0.000 2.254 7.015) 7.369 10.142 ( 0.000 1.962 6.078) 6.387 10.351 ( 0.000 -3.767 -5.032) 6.286 10.382 ( 0.000 -3.681 -6.311) 7.306 ======================= Grid point 309 (106/140) ======================= q-point: ( 0.17 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -0.131 0.904 3.033) 3.168 1.152 ( 0.591 0.047 2.055) 2.139 1.225 ( -1.766 0.047 0.256) 1.785 1.242 ( -1.020 -0.825 -1.231) 1.799 1.579 ( 3.039 7.197 2.432) 8.182 1.654 ( 1.764 1.797 2.302) 3.412 1.738 ( 1.464 -1.019 -5.388) 5.676 1.796 ( 3.423 0.159 -5.013) 6.072 1.971 ( 0.044 -0.674 4.015) 4.071 2.047 ( -1.341 -4.716 -0.692) 4.951 2.096 ( -0.331 -4.316 -2.302) 4.903 2.235 ( -1.366 -6.768 -7.411) 10.129 2.541 ( 6.671 -0.637 -0.923) 6.765 2.579 ( 7.022 -2.565 -3.500) 8.254 2.906 ( 1.058 -2.506 0.010) 2.720 2.955 ( 0.196 -1.393 -2.109) 2.535 3.103 ( 0.122 -1.550 0.516) 1.639 3.113 ( 0.435 -0.438 0.048) 0.619 4.030 ( -11.485 1.985 0.235) 11.658 4.049 ( -10.445 1.641 -1.002) 10.620 4.782 ( 1.185 11.241 5.319) 12.493 4.835 ( -0.512 10.421 4.885) 11.521 4.965 ( 1.037 5.614 -3.418) 6.654 5.004 ( 0.000 4.859 -2.988) 5.704 7.017 ( 6.924 2.601 4.741) 8.786 7.213 ( 5.439 -3.115 -4.776) 7.880 7.773 ( -4.454 -0.255 0.344) 4.474 7.808 ( -3.429 -0.882 -1.415) 3.813 9.424 ( 0.404 10.535 -0.714) 10.567 9.469 ( -0.202 10.685 -1.219) 10.756 9.497 ( 0.266 5.666 -4.118) 7.009 9.517 ( 0.127 5.658 -3.276) 6.539 10.110 ( -0.073 2.239 6.975) 7.326 10.137 ( -0.433 1.981 6.176) 6.500 10.350 ( -0.012 -3.773 -5.097) 6.342 10.378 ( -0.385 -3.696 -6.192) 7.222 ======================= Grid point 310 (107/140) ======================= q-point: ( 0.33 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 0.338 1.217 2.581) 2.874 1.166 ( 0.617 0.180 1.125) 1.295 1.184 ( -1.651 0.537 1.154) 2.085 1.217 ( -1.253 -0.596 -0.615) 1.518 1.645 ( 2.832 3.529 2.273) 5.064 1.689 ( 1.127 3.656 2.873) 4.785 1.777 ( 2.134 -3.281 -4.389) 5.880 1.847 ( 0.505 -0.570 -4.723) 4.784 1.977 ( 0.518 -2.068 2.174) 3.045 2.015 ( -1.446 -4.491 0.303) 4.728 2.099 ( 1.004 -5.319 -3.109) 6.242 2.195 ( -2.355 -6.252 -6.718) 9.475 2.723 ( 8.869 2.541 0.544) 9.241 2.776 ( 9.309 1.166 -1.947) 9.582 2.934 ( 1.235 -0.942 -1.436) 2.116 2.964 ( 0.754 -0.814 -2.309) 2.562 3.137 ( 4.410 -3.045 0.552) 5.387 3.154 ( 4.935 -2.240 -0.333) 5.429 3.716 ( -16.909 0.909 0.783) 16.951 3.751 ( -16.580 -0.128 -1.309) 16.632 4.804 ( 0.812 11.058 5.043) 12.181 4.826 ( -0.387 10.911 4.889) 11.963 4.985 ( 0.754 5.353 -3.213) 6.289 5.003 ( -0.135 5.088 -3.080) 5.949 7.209 ( 10.404 1.921 3.627) 11.184 7.364 ( 8.186 -2.422 -3.919) 9.394 7.637 ( -8.089 0.237 1.144) 8.173 7.702 ( -6.363 -1.256 -2.045) 6.800 9.436 ( 0.683 10.482 -0.685) 10.527 9.462 ( -0.421 10.531 -0.922) 10.580 9.504 ( 0.412 5.514 -3.874) 6.752 9.518 ( -0.086 5.560 -3.365) 6.500 10.110 ( 0.075 2.191 6.855) 7.197 10.125 ( -0.573 2.036 6.408) 6.748 10.351 ( 0.136 -3.779 -5.282) 6.496 10.367 ( -0.542 -3.730 -5.900) 7.001 ======================= Grid point 311 (108/140) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -1.130 1.228 1.932) 2.553 1.148 ( 1.130 1.228 1.932) 2.553 1.191 ( -1.127 -0.410 0.202) 1.216 1.191 ( 1.127 -0.410 0.202) 1.216 1.690 ( -1.137 3.342 2.638) 4.406 1.690 ( 1.137 3.342 2.638) 4.406 1.824 ( -2.065 -2.649 -4.121) 5.317 1.824 ( 2.065 -2.649 -4.121) 5.317 1.990 ( -0.836 -3.648 1.098) 3.901 1.990 ( 0.836 -3.648 1.098) 3.901 2.141 ( -2.541 -5.746 -5.315) 8.230 2.141 ( 2.541 -5.746 -5.315) 8.230 2.849 ( -2.293 3.167 1.370) 4.143 2.849 ( 2.293 3.167 1.370) 4.143 2.966 ( -1.161 -0.177 -2.915) 3.143 2.966 ( 1.161 -0.177 -2.915) 3.143 3.346 ( -9.525 -1.290 0.521) 9.626 3.346 ( 9.525 -1.290 0.521) 9.626 3.396 ( -10.096 -2.365 -1.230) 10.442 3.396 ( 10.096 -2.365 -1.230) 10.442 4.817 ( -0.468 11.045 4.956) 12.115 4.817 ( 0.468 11.045 4.956) 12.115 4.997 ( -0.401 5.220 -3.145) 6.107 4.997 ( 0.401 5.220 -3.145) 6.107 7.435 ( -10.199 1.104 2.220) 10.496 7.435 ( 10.199 1.104 2.220) 10.496 7.545 ( -8.000 -1.838 -2.834) 8.683 7.545 ( 8.000 -1.838 -2.834) 8.683 9.451 ( -0.665 10.475 -0.733) 10.522 9.451 ( 0.665 10.475 -0.733) 10.522 9.513 ( -0.366 5.455 -3.570) 6.530 9.513 ( 0.366 5.455 -3.570) 6.530 10.115 ( -0.383 2.114 6.659) 6.997 10.115 ( 0.383 2.114 6.659) 6.997 10.357 ( -0.402 -3.765 -5.564) 6.730 10.357 ( 0.402 -3.765 -5.564) 6.730 ======================= Grid point 315 (109/140) ======================= q-point: ( 0.00 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.000 0.064 2.701) 2.702 1.142 ( 0.000 -0.118 2.633) 2.636 1.244 ( 0.000 0.038 -2.047) 2.048 1.245 ( 0.000 0.061 -1.280) 1.282 1.636 ( 0.000 0.641 -0.036) 0.642 1.668 ( 0.000 -2.468 -2.560) 3.556 1.733 ( 0.000 7.834 0.278) 7.839 1.813 ( 0.000 2.252 -4.398) 4.941 1.950 ( 0.000 -2.271 -2.425) 3.322 2.004 ( 0.000 -5.655 -4.513) 7.235 2.034 ( 0.000 3.538 2.282) 4.210 2.129 ( 0.000 -5.525 -1.863) 5.831 2.434 ( 0.000 -1.335 -3.822) 4.049 2.437 ( 0.000 -1.980 -4.997) 5.374 2.870 ( 0.000 0.391 -0.135) 0.414 2.903 ( 0.000 -2.599 -1.704) 3.108 3.102 ( 0.000 0.428 0.538) 0.687 3.110 ( 0.000 -0.208 0.124) 0.242 4.188 ( 0.000 0.577 -0.274) 0.639 4.189 ( 0.000 0.481 -0.370) 0.607 4.945 ( 0.000 6.834 2.320) 7.217 4.983 ( 0.000 4.397 1.752) 4.733 5.014 ( 0.000 0.546 -1.076) 1.207 5.033 ( 0.000 -1.389 -0.757) 1.582 7.004 ( 0.000 3.685 1.644) 4.035 7.079 ( 0.000 -3.914 -1.987) 4.389 7.821 ( 0.000 0.307 -0.626) 0.697 7.831 ( 0.000 -0.670 -1.171) 1.349 9.582 ( 0.000 4.892 -2.624) 5.551 9.592 ( 0.000 3.310 -2.947) 4.432 9.621 ( 0.000 4.060 -1.825) 4.452 9.629 ( 0.000 4.098 -2.327) 4.713 10.158 ( 0.000 3.377 3.208) 4.657 10.187 ( 0.000 3.456 2.010) 3.998 10.252 ( 0.000 -5.686 -1.573) 5.900 10.284 ( 0.000 -5.819 -3.030) 6.561 ======================= Grid point 316 (110/140) ======================= q-point: ( 0.17 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.258 0.392 2.580) 2.622 1.150 ( 0.571 -0.267 2.276) 2.361 1.230 ( -1.345 0.271 -0.718) 1.549 1.233 ( -0.996 -0.137 -1.335) 1.671 1.644 ( 1.097 1.065 -0.578) 1.635 1.677 ( 1.040 -2.642 -2.955) 4.098 1.766 ( 2.269 7.488 0.745) 7.860 1.854 ( 2.919 2.362 -4.299) 5.708 1.930 ( -1.702 -3.501 -2.207) 4.475 1.985 ( -1.434 -4.903 -3.872) 6.410 2.026 ( -0.831 2.346 1.777) 3.058 2.115 ( -1.258 -5.579 -2.085) 6.087 2.528 ( 8.805 -0.301 -3.898) 9.634 2.539 ( 9.242 -1.394 -4.110) 10.210 2.882 ( 1.047 0.276 -0.299) 1.123 2.912 ( 0.800 -2.415 -1.706) 3.063 3.095 ( -0.531 0.404 0.607) 0.902 3.105 ( -0.299 -0.495 0.052) 0.580 4.055 ( -11.692 0.744 0.010) 11.716 4.062 ( -11.360 0.041 -0.428) 11.368 4.956 ( 0.791 6.555 2.146) 6.942 4.982 ( -0.003 4.694 1.736) 5.004 5.024 ( 0.650 0.419 -1.068) 1.319 5.036 ( 0.252 -1.349 -0.741) 1.560 7.077 ( 6.472 3.420 1.497) 7.472 7.147 ( 5.974 -3.603 -1.865) 7.222 7.776 ( -4.081 0.528 -0.475) 4.143 7.791 ( -3.721 -0.859 -1.206) 4.005 9.585 ( 0.298 4.810 -2.552) 5.453 9.594 ( 0.197 3.332 -2.813) 4.366 9.620 ( -0.113 4.119 -1.842) 4.513 9.628 ( -0.108 3.976 -2.312) 4.601 10.157 ( -0.071 3.394 3.159) 4.637 10.182 ( -0.403 3.470 2.123) 4.088 10.252 ( -0.030 -5.705 -1.644) 5.937 10.279 ( -0.397 -5.819 -2.900) 6.514 ======================= Grid point 317 (111/140) ======================= q-point: ( 0.33 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.537 0.774 1.998) 2.209 1.164 ( 0.735 -0.436 1.551) 1.771 1.196 ( -1.571 0.636 0.356) 1.732 1.207 ( -1.275 -0.455 -0.255) 1.377 1.687 ( 2.819 1.215 -0.876) 3.192 1.717 ( 2.625 -2.231 -3.164) 4.677 1.794 ( -0.300 5.761 0.543) 5.795 1.860 ( -2.986 0.812 -3.736) 4.851 1.924 ( 1.398 -2.792 -2.034) 3.727 1.969 ( 0.436 -2.688 -3.092) 4.120 2.003 ( -0.911 -0.555 0.730) 1.293 2.078 ( -2.145 -5.519 -2.612) 6.471 2.773 ( 11.963 2.214 -2.077) 12.342 2.794 ( 12.260 0.268 -2.798) 12.578 2.914 ( 1.929 -0.374 -1.072) 2.238 2.935 ( 1.259 -1.990 -1.783) 2.954 3.104 ( 3.033 -0.146 0.695) 3.115 3.119 ( 3.111 -1.392 -0.112) 3.410 3.729 ( -17.928 0.545 0.172) 17.938 3.741 ( -17.841 -0.672 -0.538) 17.862 4.971 ( 0.543 6.055 1.949) 6.384 4.983 ( -0.024 5.276 1.811) 5.578 5.035 ( 0.393 -0.185 -1.002) 1.092 5.042 ( 0.158 -0.898 -0.831) 1.234 7.256 ( 9.680 2.750 1.088) 10.122 7.312 ( 8.936 -2.871 -1.621) 9.525 7.652 ( -7.477 1.100 -0.059) 7.558 7.676 ( -6.865 -1.353 -1.288) 7.114 9.594 ( 0.543 4.605 -2.385) 5.214 9.600 ( 0.432 3.423 -2.504) 4.263 9.615 ( -0.318 4.179 -1.934) 4.616 9.623 ( -0.387 3.787 -2.286) 4.441 10.157 ( 0.068 3.434 3.002) 4.562 10.171 ( -0.537 3.488 2.404) 4.270 10.252 ( 0.122 -5.748 -1.852) 6.041 10.269 ( -0.554 -5.812 -2.572) 6.380 ======================= Grid point 318 (112/140) ======================= q-point: (-0.50 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -1.048 0.861 1.237) 1.836 1.168 ( 1.048 0.861 1.237) 1.836 1.182 ( -1.009 -0.566 0.683) 1.344 1.182 ( 1.009 -0.566 0.683) 1.344 1.753 ( -2.916 2.405 -0.697) 3.844 1.753 ( 2.916 2.405 -0.697) 3.844 1.785 ( -3.541 -1.420 -3.064) 4.893 1.785 ( 3.541 -1.420 -3.064) 4.893 1.955 ( -1.548 0.994 -0.821) 2.015 1.955 ( 1.548 0.994 -0.821) 2.015 2.027 ( -2.437 -5.476 -2.762) 6.599 2.027 ( 2.437 -5.476 -2.762) 6.599 2.908 ( -0.898 2.769 -0.396) 2.938 2.908 ( 0.898 2.769 -0.396) 2.938 2.951 ( -0.467 -1.490 -1.978) 2.520 2.951 ( 0.467 -1.490 -1.978) 2.520 3.332 ( -8.766 0.103 -0.145) 8.768 3.332 ( 8.766 0.103 -0.145) 8.768 3.352 ( -8.854 -1.880 -0.619) 9.072 3.352 ( 8.854 -1.880 -0.619) 9.072 4.980 ( -0.280 5.682 1.870) 5.989 4.980 ( 0.280 5.682 1.870) 5.989 5.041 ( -0.190 -0.569 -0.918) 1.097 5.041 ( 0.190 -0.569 -0.918) 1.097 7.466 ( -9.475 1.937 0.489) 9.683 7.466 ( 9.475 1.937 0.489) 9.683 7.506 ( -8.718 -2.093 -1.389) 9.072 7.506 ( 8.718 -2.093 -1.389) 9.072 9.606 ( -0.503 4.341 -2.122) 4.858 9.606 ( 0.503 4.341 -2.122) 4.858 9.612 ( -0.565 3.596 -2.330) 4.322 9.612 ( 0.565 3.596 -2.330) 4.322 10.161 ( -0.360 3.475 2.733) 4.435 10.161 ( 0.360 3.475 2.733) 4.435 10.258 ( -0.405 -5.789 -2.182) 6.199 10.258 ( 0.405 -5.789 -2.182) 6.199 ======================= Grid point 364 (113/140) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.000 0.000 -4.555) 4.555 0.871 ( 0.000 0.000 4.555) 4.555 1.087 ( 0.000 0.000 -11.766) 11.766 1.087 ( 0.000 0.000 11.766) 11.766 1.415 ( 0.000 0.000 -3.901) 3.901 1.415 ( 0.000 0.000 3.901) 3.901 1.687 ( 0.000 0.000 -4.062) 4.062 1.687 ( 0.000 0.000 4.062) 4.062 2.091 ( 0.000 0.000 -1.753) 1.753 2.091 ( 0.000 0.000 1.753) 1.753 2.098 ( 0.000 0.000 -0.558) 0.558 2.098 ( 0.000 0.000 0.558) 0.558 2.349 ( 0.000 0.000 -1.159) 1.159 2.349 ( 0.000 0.000 1.159) 1.159 2.543 ( 0.000 0.000 -4.686) 4.686 2.543 ( 0.000 0.000 4.686) 4.686 3.191 ( 0.000 0.000 -10.517) 10.517 3.191 ( 0.000 0.000 10.517) 10.517 3.335 ( 0.000 0.000 -7.794) 7.794 3.335 ( 0.000 0.000 7.794) 7.794 3.875 ( 0.000 0.000 -16.568) 16.568 3.875 ( 0.000 0.000 16.568) 16.568 4.529 ( 0.000 0.000 -3.714) 3.714 4.529 ( 0.000 0.000 3.714) 3.714 7.113 ( 0.000 0.000 -11.899) 11.899 7.113 ( 0.000 0.000 11.899) 11.899 8.005 ( 0.000 0.000 -0.924) 0.924 8.005 ( 0.000 0.000 0.924) 0.924 9.523 ( 0.000 0.000 -8.882) 8.882 9.523 ( 0.000 0.000 8.882) 8.882 9.547 ( 0.000 0.000 -21.850) 21.850 9.547 ( 0.000 0.000 21.850) 21.850 9.673 ( 0.000 0.000 -17.984) 17.984 9.673 ( 0.000 0.000 17.984) 17.984 9.692 ( 0.000 0.000 -9.226) 9.226 9.692 ( 0.000 0.000 9.226) 9.226 ======================= Grid point 366 (114/140) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 1.240 0.000 -3.924) 4.116 0.886 ( 1.240 0.000 3.924) 4.116 1.059 ( -1.847 0.000 -7.949) 8.161 1.059 ( -1.847 0.000 7.949) 8.161 1.541 ( 10.031 0.000 -2.516) 10.342 1.541 ( 10.031 0.000 2.516) 10.342 1.673 ( -1.209 0.000 -3.458) 3.663 1.673 ( -1.209 0.000 3.458) 3.663 2.097 ( 0.756 0.000 -0.888) 1.166 2.097 ( 0.756 0.000 0.888) 1.166 2.110 ( 0.992 0.000 -0.393) 1.066 2.110 ( 0.992 0.000 0.393) 1.066 2.349 ( 0.027 0.000 -0.988) 0.989 2.349 ( 0.027 0.000 0.988) 0.989 2.527 ( -1.635 0.000 -4.726) 5.001 2.527 ( -1.635 0.000 4.726) 5.001 3.187 ( -0.269 0.000 -9.392) 9.396 3.187 ( -0.269 0.000 9.392) 9.396 3.308 ( -2.253 0.000 -6.332) 6.721 3.308 ( -2.253 0.000 6.332) 6.721 3.881 ( 0.605 0.000 -15.276) 15.288 3.881 ( 0.605 0.000 15.276) 15.288 4.483 ( -3.867 0.000 -3.534) 5.238 4.483 ( -3.867 0.000 3.534) 5.238 7.200 ( 7.728 0.000 -10.763) 13.250 7.200 ( 7.728 0.000 10.763) 13.250 7.967 ( -3.595 0.000 -1.296) 3.821 7.967 ( -3.595 0.000 1.296) 3.821 9.537 ( 1.260 0.000 -8.814) 8.904 9.537 ( 1.260 0.000 8.814) 8.904 9.541 ( -0.430 0.000 -19.671) 19.676 9.541 ( -0.430 0.000 19.671) 19.676 9.665 ( -0.723 0.000 -16.485) 16.501 9.665 ( -0.723 0.000 16.485) 16.501 9.685 ( -0.678 0.000 -9.111) 9.136 9.685 ( -0.678 0.000 9.111) 9.136 ======================= Grid point 368 (115/140) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 1.250 0.000 -2.253) 2.577 0.915 ( 1.250 0.000 2.253) 2.577 1.026 ( -1.114 0.000 -3.965) 4.118 1.026 ( -1.114 0.000 3.965) 4.118 1.645 ( -1.159 0.000 -1.960) 2.277 1.645 ( -1.159 0.000 1.960) 2.277 1.756 ( 8.055 0.000 -1.072) 8.126 1.756 ( 8.055 0.000 1.072) 8.126 2.132 ( 0.920 0.000 -0.163) 0.934 2.132 ( 0.920 0.000 0.163) 0.934 2.148 ( 4.850 0.000 -2.016) 5.252 2.148 ( 4.850 0.000 2.016) 5.252 2.349 ( 0.014 0.000 -0.551) 0.551 2.349 ( 0.014 0.000 0.551) 0.551 2.459 ( -5.081 0.000 -4.729) 6.941 2.459 ( -5.081 0.000 4.729) 6.941 3.182 ( -0.186 0.000 -5.781) 5.784 3.182 ( -0.186 0.000 5.781) 5.784 3.255 ( -2.265 0.000 -2.771) 3.579 3.255 ( -2.265 0.000 2.771) 3.579 3.900 ( 1.036 0.000 -10.344) 10.395 3.900 ( 1.036 0.000 10.344) 10.395 4.390 ( -4.124 0.000 -2.910) 5.048 4.390 ( -4.124 0.000 2.910) 5.048 7.412 ( 11.329 0.000 -7.927) 13.827 7.412 ( 11.329 0.000 7.927) 13.827 7.849 ( -7.486 0.000 -2.449) 7.876 7.849 ( -7.486 0.000 2.449) 7.876 9.534 ( -0.135 0.000 -13.163) 13.164 9.534 ( -0.135 0.000 13.163) 13.164 9.572 ( 1.849 0.000 -8.243) 8.447 9.572 ( 1.849 0.000 8.243) 8.447 9.645 ( -0.927 0.000 -11.464) 11.501 9.645 ( -0.927 0.000 11.464) 11.501 9.664 ( -1.266 0.000 -8.413) 8.508 9.664 ( -1.266 0.000 8.413) 8.508 ======================= Grid point 370 (116/140) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -0.000 0.000 0.000) 0.000 0.930 ( 0.000 0.000 0.000) 0.000 1.014 ( 0.000 0.000 0.000) 0.000 1.014 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.839 ( -0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 -0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.332 ( -0.000 0.000 -0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.350 ( -0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 3.181 ( 0.000 0.000 -0.000) 0.000 3.181 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 -0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 -0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 -0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.658 ( -0.000 0.000 -0.000) 0.000 7.658 ( -0.000 0.000 0.000) 0.000 9.534 ( 0.000 0.000 -0.000) 0.000 9.534 ( 0.000 0.000 0.000) 0.000 9.600 ( 0.000 0.000 -0.000) 0.000 9.600 ( 0.000 0.000 0.000) 0.000 9.634 ( 0.000 0.000 -0.000) 0.000 9.634 ( 0.000 0.000 0.000) 0.000 9.642 ( -0.000 0.000 -0.000) 0.000 9.642 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 378 (117/140) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 0.000 11.841 -2.613) 12.126 1.037 ( 0.000 11.841 2.613) 12.126 1.089 ( 0.000 1.632 -9.322) 9.464 1.089 ( 0.000 1.632 9.322) 9.464 1.357 ( 0.000 -3.493 -2.825) 4.493 1.357 ( 0.000 -3.493 2.825) 4.493 1.817 ( 0.000 6.042 -1.700) 6.277 1.817 ( 0.000 6.042 1.700) 6.277 2.045 ( 0.000 1.989 -0.478) 2.045 2.045 ( 0.000 1.989 0.478) 2.045 2.269 ( 0.000 11.008 -0.965) 11.050 2.269 ( 0.000 11.008 0.965) 11.050 2.343 ( 0.000 0.680 -0.205) 0.710 2.343 ( 0.000 0.680 0.205) 0.710 2.629 ( 0.000 8.224 -2.190) 8.510 2.629 ( 0.000 8.224 2.190) 8.510 3.193 ( 0.000 0.239 -8.492) 8.496 3.193 ( 0.000 0.239 8.492) 8.496 3.360 ( 0.000 3.363 -8.765) 9.388 3.360 ( 0.000 3.363 8.765) 9.388 3.903 ( 0.000 3.346 -16.482) 16.818 3.903 ( 0.000 3.346 16.482) 16.818 4.526 ( 0.000 -0.110 -3.896) 3.897 4.526 ( 0.000 -0.110 3.896) 3.897 7.104 ( 0.000 -0.799 -11.727) 11.754 7.104 ( 0.000 -0.799 11.727) 11.754 7.986 ( 0.000 -1.834 -0.870) 2.030 7.986 ( 0.000 -1.834 0.870) 2.030 9.383 ( 0.000 -8.301 -12.614) 15.100 9.383 ( 0.000 -8.301 12.614) 15.100 9.436 ( 0.000 -7.352 -16.015) 17.622 9.436 ( 0.000 -7.352 16.015) 17.622 9.818 ( 0.000 9.670 -14.196) 17.177 9.818 ( 0.000 9.670 14.196) 17.177 9.833 ( 0.000 9.793 -13.020) 16.292 9.833 ( 0.000 9.793 13.020) 16.292 ======================= Grid point 380 (118/140) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.622 6.180 -4.385) 7.604 1.036 ( -0.622 6.180 4.385) 7.604 1.060 ( -1.020 6.012 -3.669) 7.117 1.060 ( -1.020 6.012 3.669) 7.117 1.484 ( 9.667 -3.142 -3.308) 10.689 1.484 ( 9.667 -3.142 3.308) 10.689 1.806 ( -0.896 6.817 -1.618) 7.063 1.806 ( -0.896 6.817 1.618) 7.063 2.069 ( 2.308 2.008 -1.074) 3.242 2.069 ( 2.308 2.008 1.074) 3.242 2.268 ( -0.044 10.286 -1.343) 10.374 2.268 ( -0.044 10.286 1.343) 10.374 2.345 ( 0.236 1.148 -0.048) 1.173 2.345 ( 0.236 1.148 0.048) 1.173 2.616 ( -1.366 8.644 -2.064) 8.991 2.616 ( -1.366 8.644 2.064) 8.991 3.189 ( -0.336 0.173 -7.500) 7.509 3.189 ( -0.336 0.173 7.500) 7.509 3.333 ( -2.318 3.238 -7.351) 8.360 3.333 ( -2.318 3.238 7.351) 8.360 3.908 ( 0.547 3.264 -15.200) 15.556 3.908 ( 0.547 3.264 15.200) 15.556 4.482 ( -3.800 -0.008 -3.725) 5.321 4.482 ( -3.800 -0.008 3.725) 5.321 7.189 ( 7.520 -1.039 -10.578) 13.020 7.189 ( 7.520 -1.039 10.578) 13.020 7.948 ( -3.649 -1.902 -1.241) 4.298 7.948 ( -3.649 -1.902 1.241) 4.298 9.389 ( 0.450 -8.279 -12.097) 14.666 9.389 ( 0.450 -8.279 12.097) 14.666 9.432 ( -0.228 -7.401 -15.161) 16.873 9.432 ( -0.228 -7.401 15.161) 16.873 9.813 ( -0.402 9.792 -9.827) 13.879 9.813 ( -0.402 9.792 9.827) 13.879 9.831 ( -0.222 9.885 -8.784) 13.226 9.831 ( -0.222 9.885 8.784) 13.226 ======================= Grid point 382 (119/140) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -0.955 -0.061 -3.705) 3.826 1.012 ( -0.955 -0.061 3.705) 3.826 1.062 ( 0.417 10.819 -2.032) 11.016 1.062 ( 0.417 10.819 2.032) 11.016 1.679 ( 7.007 -3.366 -2.800) 8.262 1.679 ( 7.007 -3.366 2.800) 8.262 1.786 ( -0.830 7.843 -1.378) 8.006 1.786 ( -0.830 7.843 1.378) 8.006 2.145 ( 4.564 1.330 -2.562) 5.400 2.145 ( 4.564 1.330 2.562) 5.400 2.272 ( 0.602 8.132 -1.984) 8.392 2.272 ( 0.602 8.132 1.984) 8.392 2.356 ( 1.087 3.190 -0.589) 3.421 2.356 ( 1.087 3.190 0.589) 3.421 2.560 ( -4.109 10.379 -1.670) 11.287 2.560 ( -4.109 10.379 1.670) 11.287 3.181 ( -0.351 0.011 -4.399) 4.413 3.181 ( -0.351 0.011 4.399) 4.413 3.278 ( -2.349 2.781 -3.811) 5.270 3.278 ( -2.349 2.781 3.811) 5.270 3.925 ( 0.910 2.986 -10.295) 10.758 3.925 ( 0.910 2.986 10.295) 10.758 4.391 ( -4.009 0.280 -3.068) 5.056 4.391 ( -4.009 0.280 3.068) 5.056 7.396 ( 11.099 -1.528 -7.767) 13.632 7.396 ( 11.099 -1.528 7.767) 13.632 7.829 ( -7.491 -1.982 -2.405) 8.114 7.829 ( -7.491 -1.982 2.405) 8.114 9.398 ( 0.284 -7.917 -7.614) 10.988 9.398 ( 0.284 -7.917 7.614) 10.988 9.430 ( 0.040 -7.898 -9.534) 12.380 9.430 ( 0.040 -7.898 9.534) 12.380 9.804 ( -0.363 10.022 -4.347) 10.930 9.804 ( -0.363 10.022 4.347) 10.930 9.825 ( -0.288 10.140 -3.659) 10.784 9.825 ( -0.288 10.140 3.659) 10.784 ======================= Grid point 384 (120/140) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.000 -0.231 0.000) 0.231 1.002 ( 0.000 -0.231 0.000) 0.231 1.067 ( 0.000 10.400 0.000) 10.400 1.067 ( 0.000 10.400 0.000) 10.400 1.759 ( -0.000 -4.216 -0.000) 4.216 1.759 ( 0.000 -4.216 0.000) 4.216 1.771 ( 0.000 9.152 -0.000) 9.152 1.771 ( 0.000 9.152 0.000) 9.152 2.206 ( 0.000 0.950 -0.000) 0.950 2.206 ( 0.000 0.950 0.000) 0.950 2.287 ( 0.000 2.758 -0.000) 2.758 2.287 ( 0.000 2.758 0.000) 2.758 2.399 ( 0.000 4.294 0.000) 4.294 2.399 ( 0.000 4.294 0.000) 4.294 2.472 ( 0.000 15.464 0.000) 15.464 2.472 ( 0.000 15.464 0.000) 15.464 3.177 ( 0.000 -0.117 -0.000) 0.117 3.177 ( 0.000 -0.117 0.000) 0.117 3.250 ( 0.000 2.457 -0.000) 2.457 3.250 ( 0.000 2.457 0.000) 2.457 3.937 ( 0.000 2.762 -0.000) 2.762 3.937 ( 0.000 2.762 0.000) 2.762 4.342 ( 0.000 0.499 0.000) 0.499 4.342 ( 0.000 0.499 0.000) 0.499 7.624 ( 0.000 -2.283 -0.000) 2.283 7.624 ( 0.000 -2.283 0.000) 2.283 7.642 ( -0.000 -1.493 -0.000) 1.493 7.642 ( -0.000 -1.493 0.000) 1.493 9.400 ( 0.000 -7.588 -0.000) 7.588 9.400 ( 0.000 -7.588 0.000) 7.588 9.431 ( 0.000 -8.337 -0.000) 8.337 9.431 ( 0.000 -8.337 0.000) 8.337 9.800 ( 0.000 10.129 -0.000) 10.129 9.800 ( 0.000 10.129 0.000) 10.129 9.821 ( 0.000 10.306 -0.000) 10.306 9.821 ( 0.000 10.306 0.000) 10.306 ======================= Grid point 392 (121/140) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.000 3.650 -7.623) 8.452 1.126 ( 0.000 3.650 7.623) 8.452 1.186 ( 0.000 0.281 -2.072) 2.091 1.186 ( 0.000 0.281 2.072) 2.091 1.363 ( 0.000 4.308 -3.752) 5.713 1.363 ( 0.000 4.308 3.752) 5.713 1.835 ( 0.000 -1.643 -5.243) 5.495 1.835 ( 0.000 -1.643 5.243) 5.495 2.088 ( 0.000 0.471 -0.607) 0.769 2.088 ( 0.000 0.471 0.607) 0.769 2.371 ( 0.000 0.567 -3.016) 3.068 2.371 ( 0.000 0.567 3.016) 3.068 2.490 ( 0.000 9.386 -1.221) 9.465 2.490 ( 0.000 9.386 1.221) 9.465 2.818 ( 0.000 8.855 -0.978) 8.909 2.818 ( 0.000 8.855 0.978) 8.909 3.197 ( 0.000 0.005 -3.797) 3.797 3.197 ( 0.000 0.005 3.797) 3.797 3.516 ( 0.000 13.395 -8.691) 15.968 3.516 ( 0.000 13.395 8.691) 15.968 4.040 ( 0.000 11.557 -14.916) 18.869 4.040 ( 0.000 11.557 14.916) 18.869 4.533 ( 0.000 1.129 -4.568) 4.705 4.533 ( 0.000 1.129 4.568) 4.705 7.085 ( 0.000 -1.046 -11.185) 11.234 7.085 ( 0.000 -1.046 11.185) 11.234 7.940 ( 0.000 -2.720 -0.715) 2.812 7.940 ( 0.000 -2.720 0.715) 2.812 9.255 ( 0.000 -4.440 -11.515) 12.341 9.255 ( 0.000 -4.440 11.515) 12.341 9.314 ( 0.000 -4.629 -12.887) 13.693 9.314 ( 0.000 -4.629 12.887) 13.693 9.998 ( 0.000 8.534 -13.188) 15.708 9.998 ( 0.000 8.534 13.188) 15.708 10.021 ( 0.000 8.860 -11.960) 14.884 10.021 ( 0.000 8.860 11.960) 14.884 ======================= Grid point 394 (122/140) ======================= q-point: ( 0.17 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -2.646 2.379 -4.986) 6.126 1.072 ( -2.646 2.379 4.986) 6.126 1.207 ( 0.454 2.675 -1.967) 3.351 1.207 ( 0.454 2.675 1.967) 3.351 1.479 ( 9.072 2.761 -4.868) 10.660 1.479 ( 9.072 2.761 4.868) 10.660 1.839 ( 0.365 -1.327 -5.175) 5.355 1.839 ( 0.365 -1.327 5.175) 5.355 2.105 ( 1.630 0.162 -0.854) 1.847 2.105 ( 1.630 0.162 0.854) 1.847 2.365 ( -0.547 0.478 -2.714) 2.810 2.365 ( -0.547 0.478 2.714) 2.810 2.493 ( 0.459 9.630 -1.030) 9.696 2.493 ( 0.459 9.630 1.030) 9.696 2.819 ( 0.001 9.425 -1.483) 9.541 2.819 ( 0.001 9.425 1.483) 9.541 3.194 ( -0.191 0.299 -3.506) 3.524 3.194 ( -0.191 0.299 3.506) 3.524 3.479 ( -3.330 12.401 -7.238) 14.739 3.479 ( -3.330 12.401 7.238) 14.739 4.042 ( 0.181 11.255 -13.706) 17.736 4.042 ( 0.181 11.255 13.706) 17.736 4.494 ( -3.266 1.717 -4.394) 5.738 4.494 ( -3.266 1.717 4.394) 5.738 7.164 ( 7.013 -1.388 -10.061) 12.342 7.164 ( 7.013 -1.388 10.061) 12.342 7.900 ( -3.780 -2.820 -1.109) 4.844 7.900 ( -3.780 -2.820 1.109) 4.844 9.261 ( 0.566 -4.404 -11.464) 12.294 9.261 ( 0.566 -4.404 11.464) 12.294 9.312 ( -0.218 -4.528 -12.736) 13.518 9.312 ( -0.218 -4.528 12.736) 13.518 9.996 ( -0.222 8.601 -11.162) 14.093 9.996 ( -0.222 8.601 11.162) 14.093 10.019 ( -0.182 8.863 -10.161) 13.485 10.019 ( -0.182 8.863 10.161) 13.485 ======================= Grid point 396 (123/140) ======================= q-point: ( 0.33 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -1.072 2.218 -2.554) 3.548 1.033 ( -1.072 2.218 2.554) 3.548 1.208 ( -0.129 2.944 -1.008) 3.115 1.208 ( -0.129 2.944 1.008) 3.115 1.666 ( 7.059 2.187 -4.179) 8.489 1.666 ( 7.059 2.187 4.179) 8.489 1.845 ( -0.004 -0.991 -4.388) 4.499 1.845 ( -0.004 -0.991 4.388) 4.499 2.152 ( 2.443 -1.112 -1.065) 2.888 2.152 ( 2.443 -1.112 1.065) 2.888 2.350 ( -0.791 0.174 -1.814) 1.987 2.350 ( -0.791 0.174 1.814) 1.987 2.520 ( 2.149 10.558 -2.064) 10.971 2.520 ( 2.149 10.558 2.064) 10.971 2.812 ( -0.722 11.417 -1.836) 11.586 2.812 ( -0.722 11.417 1.836) 11.586 3.194 ( 0.323 1.728 -2.468) 3.030 3.194 ( 0.323 1.728 2.468) 3.030 3.388 ( -4.576 8.828 -3.661) 10.596 3.388 ( -4.576 8.828 3.661) 10.596 4.048 ( 0.303 10.442 -9.121) 13.868 4.048 ( 0.303 10.442 9.121) 13.868 4.418 ( -3.194 3.238 -3.464) 5.717 4.418 ( -3.194 3.238 3.464) 5.717 7.358 ( 10.492 -2.131 -7.383) 13.005 7.358 ( 10.492 -2.132 7.383) 13.005 7.779 ( -7.468 -2.907 -2.308) 8.340 7.779 ( -7.468 -2.907 2.308) 8.340 9.275 ( 0.680 -4.238 -10.423) 11.272 9.275 ( 0.680 -4.238 10.423) 11.272 9.306 ( -0.285 -4.454 -11.257) 12.110 9.306 ( -0.285 -4.454 11.257) 12.110 9.991 ( -0.178 8.741 -6.618) 10.966 9.991 ( -0.178 8.741 6.618) 10.966 10.014 ( -0.231 8.868 -6.108) 10.771 10.014 ( -0.231 8.868 6.108) 10.771 ======================= Grid point 398 (124/140) ======================= q-point: (-0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.000 2.205 0.000) 2.205 1.022 ( 0.000 2.205 0.000) 2.205 1.206 ( 0.000 2.838 -0.000) 2.838 1.206 ( 0.000 2.838 0.000) 2.838 1.747 ( -0.000 2.826 0.000) 2.826 1.747 ( 0.000 2.826 0.000) 2.826 1.840 ( 0.000 -1.398 -0.000) 1.398 1.840 ( 0.000 -1.398 0.000) 1.398 2.184 ( 0.000 -2.250 0.000) 2.250 2.184 ( 0.000 -2.250 0.000) 2.250 2.339 ( 0.000 -0.057 -0.000) 0.057 2.339 ( 0.000 -0.057 0.000) 0.057 2.556 ( -0.000 10.857 0.000) 10.857 2.556 ( 0.000 10.857 0.000) 10.857 2.798 ( 0.000 13.489 0.000) 13.489 2.798 ( 0.000 13.489 0.000) 13.489 3.204 ( -0.000 4.081 0.000) 4.081 3.204 ( 0.000 4.081 0.000) 4.081 3.326 ( 0.000 4.810 0.000) 4.810 3.326 ( 0.000 4.810 0.000) 4.810 4.052 ( 0.000 9.879 -0.000) 9.879 4.052 ( 0.000 9.879 -0.000) 9.879 4.381 ( 0.000 4.235 0.000) 4.235 4.381 ( 0.000 4.235 0.000) 4.235 7.568 ( 0.000 -3.157 -0.000) 3.157 7.568 ( 0.000 -3.157 0.000) 3.157 7.604 ( -0.000 -2.272 -0.000) 2.272 7.604 ( -0.000 -2.272 0.000) 2.272 9.284 ( 0.000 -3.967 -0.000) 3.967 9.284 ( 0.000 -3.967 0.000) 3.967 9.302 ( 0.000 -4.624 -0.000) 4.624 9.302 ( 0.000 -4.624 0.000) 4.624 9.989 ( 0.000 8.823 -0.000) 8.823 9.989 ( 0.000 8.823 0.000) 8.823 10.011 ( 0.000 8.862 -0.000) 8.862 10.011 ( 0.000 8.862 0.000) 8.862 ======================= Grid point 406 (125/140) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.000 -0.821 -1.240) 1.487 1.165 ( 0.000 -0.821 1.240) 1.487 1.213 ( 0.000 4.454 -4.444) 6.291 1.213 ( 0.000 4.454 4.444) 6.291 1.422 ( 0.000 1.487 -6.364) 6.536 1.422 ( 0.000 1.487 6.364) 6.536 1.795 ( 0.000 -2.443 -7.973) 8.339 1.795 ( 0.000 -2.443 7.973) 8.339 2.087 ( 0.000 0.032 -1.253) 1.254 2.087 ( 0.000 0.032 1.253) 1.254 2.334 ( 0.000 -4.307 -6.166) 7.521 2.334 ( 0.000 -4.307 6.166) 7.521 2.583 ( 0.000 0.523 -2.515) 2.569 2.583 ( 0.000 0.523 2.515) 2.569 2.927 ( 0.000 2.855 -0.417) 2.886 2.927 ( 0.000 2.855 0.417) 2.886 3.180 ( 0.000 -1.939 -1.669) 2.558 3.180 ( 0.000 -1.939 1.669) 2.558 3.832 ( 0.000 16.093 -4.158) 16.622 3.832 ( 0.000 16.093 4.158) 16.622 4.341 ( 0.000 17.594 -11.096) 20.801 4.341 ( 0.000 17.594 11.096) 20.801 4.590 ( 0.000 5.330 -5.900) 7.951 4.590 ( 0.000 5.330 5.900) 7.951 7.067 ( 0.000 -0.776 -10.183) 10.213 7.067 ( 0.000 -0.776 10.183) 10.213 7.888 ( 0.000 -2.384 -0.574) 2.452 7.888 ( 0.000 -2.384 0.574) 2.452 9.220 ( 0.000 1.039 -8.522) 8.585 9.220 ( 0.000 1.039 8.522) 8.585 9.268 ( 0.000 0.185 -9.194) 9.196 9.268 ( 0.000 0.185 9.194) 9.196 10.143 ( 0.000 6.038 -11.468) 12.960 10.143 ( 0.000 6.038 11.468) 12.960 10.167 ( 0.000 5.939 -10.453) 12.022 10.167 ( 0.000 5.939 10.453) 12.022 ======================= Grid point 408 (126/140) ======================= q-point: ( 0.17 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -2.236 2.343 -2.765) 4.258 1.123 ( -2.236 2.343 2.765) 4.258 1.221 ( 0.025 0.421 -2.144) 2.185 1.221 ( 0.025 0.421 2.144) 2.185 1.530 ( 8.304 1.648 -6.890) 10.915 1.530 ( 8.304 1.648 6.890) 10.915 1.804 ( 0.732 -2.135 -8.060) 8.371 1.804 ( 0.732 -2.135 8.060) 8.371 2.098 ( 0.988 -0.315 -0.893) 1.369 2.098 ( 0.988 -0.315 0.893) 1.369 2.324 ( -0.911 -4.535 -5.710) 7.348 2.324 ( -0.911 -4.535 5.710) 7.348 2.602 ( 1.995 1.726 -1.947) 3.279 2.602 ( 1.995 1.726 1.947) 3.279 2.929 ( 0.094 2.545 -0.891) 2.698 2.929 ( 0.094 2.545 0.891) 2.698 3.186 ( 0.735 -1.493 -1.555) 2.277 3.186 ( 0.735 -1.493 1.555) 2.277 3.765 ( -6.124 14.115 -2.740) 15.629 3.765 ( -6.124 14.115 2.740) 15.629 4.337 ( -0.305 17.414 -9.536) 19.856 4.337 ( -0.305 17.414 9.536) 19.856 4.572 ( -1.440 6.807 -5.256) 8.719 4.572 ( -1.440 6.807 5.256) 8.719 7.140 ( 6.476 -1.039 -9.201) 11.299 7.140 ( 6.476 -1.039 9.201) 11.299 7.846 ( -3.913 -2.463 -1.024) 4.736 7.846 ( -3.913 -2.463 1.024) 4.736 9.227 ( 0.563 0.991 -8.561) 8.636 9.227 ( 0.563 0.991 8.561) 8.636 9.268 ( -0.023 0.315 -9.172) 9.177 9.268 ( -0.023 0.315 9.172) 9.177 10.140 ( -0.194 6.013 -9.914) 11.597 10.140 ( -0.194 6.013 9.914) 11.597 10.166 ( -0.157 5.963 -9.052) 10.841 10.166 ( -0.157 5.963 9.052) 10.841 ======================= Grid point 410 (127/140) ======================= q-point: ( 0.33 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.979 3.161 -1.595) 3.673 1.089 ( -0.979 3.161 1.595) 3.673 1.216 ( -0.315 -0.766 -0.955) 1.264 1.216 ( -0.315 -0.766 0.955) 1.264 1.701 ( 6.568 0.091 -7.015) 9.610 1.701 ( 6.568 0.091 7.015) 9.610 1.818 ( 0.312 -0.994 -7.955) 8.023 1.818 ( 0.312 -0.994 7.955) 8.023 2.124 ( 1.194 -1.336 -0.523) 1.867 2.124 ( 1.194 -1.336 0.523) 1.867 2.299 ( -1.163 -4.916 -3.809) 6.327 2.299 ( -1.163 -4.916 3.809) 6.327 2.672 ( 4.096 4.644 -1.479) 6.366 2.672 ( 4.096 4.644 1.479) 6.366 2.929 ( -0.171 1.847 -1.223) 2.222 2.929 ( -0.171 1.847 1.223) 2.222 3.226 ( 3.482 0.355 -1.536) 3.822 3.226 ( 3.482 0.355 1.536) 3.822 3.585 ( -10.133 9.157 -0.222) 13.660 3.585 ( -10.133 9.157 0.222) 13.660 4.330 ( -0.281 17.160 -5.376) 17.984 4.330 ( -0.281 17.160 5.376) 17.984 4.542 ( -1.122 9.567 -3.187) 10.146 4.542 ( -1.122 9.567 3.187) 10.146 7.320 ( 9.791 -1.656 -6.860) 12.069 7.320 ( 9.791 -1.656 6.860) 12.069 7.724 ( -7.390 -2.499 -2.259) 8.122 7.724 ( -7.390 -2.499 2.259) 8.122 9.242 ( 0.760 0.906 -8.507) 8.589 9.242 ( 0.760 0.906 8.507) 8.589 9.266 ( -0.205 0.540 -8.893) 8.912 9.266 ( -0.205 0.540 8.893) 8.912 10.136 ( -0.143 5.964 -6.105) 8.536 10.136 ( -0.143 5.964 6.105) 8.536 10.161 ( -0.210 6.013 -5.625) 8.237 10.161 ( -0.210 6.013 5.625) 8.237 ======================= Grid point 412 (128/140) ======================= q-point: (-0.50 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 3.305 0.000) 3.305 1.079 ( 0.000 3.305 0.000) 3.305 1.212 ( 0.000 -0.982 -0.000) 0.982 1.212 ( 0.000 -0.982 0.000) 0.982 1.782 ( -0.000 -3.421 -0.000) 3.421 1.782 ( 0.000 -3.421 0.000) 3.421 1.812 ( -0.000 2.276 -0.000) 2.276 1.812 ( -0.000 2.276 0.000) 2.276 2.138 ( 0.000 -2.053 0.000) 2.053 2.138 ( 0.000 -2.053 0.000) 2.053 2.285 ( 0.000 -5.063 -0.000) 5.063 2.285 ( 0.000 -5.063 0.000) 5.063 2.729 ( -0.000 6.332 0.000) 6.332 2.729 ( 0.000 6.332 0.000) 6.332 2.925 ( 0.000 1.364 0.000) 1.364 2.925 ( 0.000 1.364 0.000) 1.364 3.327 ( -0.000 5.837 0.000) 5.837 3.327 ( -0.000 5.837 0.000) 5.837 3.401 ( 0.000 2.216 0.000) 2.216 3.401 ( 0.000 2.216 0.000) 2.216 4.327 ( 0.000 17.081 -0.000) 17.081 4.327 ( 0.000 17.081 -0.000) 17.081 4.530 ( 0.000 10.816 0.000) 10.816 4.530 ( 0.000 10.816 0.000) 10.816 7.512 ( 0.000 -2.337 -0.000) 2.337 7.512 ( 0.000 -2.337 0.000) 2.337 7.560 ( -0.000 -2.129 -0.000) 2.129 7.560 ( -0.000 -2.129 0.000) 2.129 9.254 ( -0.000 0.947 -0.000) 0.947 9.254 ( -0.000 0.947 0.000) 0.947 9.261 ( 0.000 0.557 -0.000) 0.557 9.261 ( 0.000 0.557 0.000) 0.557 10.135 ( 0.000 5.937 -0.000) 5.937 10.135 ( 0.000 5.937 0.000) 5.937 10.159 ( 0.000 6.042 -0.000) 6.042 10.159 ( 0.000 6.042 0.000) 6.042 ======================= Grid point 420 (129/140) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.000 0.550 -0.390) 0.675 1.163 ( 0.000 0.550 0.390) 0.675 1.262 ( 0.000 -0.109 -0.604) 0.614 1.262 ( 0.000 -0.109 0.604) 0.614 1.476 ( 0.000 5.234 -7.212) 8.911 1.476 ( 0.000 5.234 7.212) 8.911 1.737 ( 0.000 -3.291 -6.282) 7.092 1.737 ( 0.000 -3.291 6.282) 7.092 2.090 ( 0.000 0.010 -2.920) 2.920 2.090 ( 0.000 0.010 2.920) 2.920 2.217 ( 0.000 -7.147 -6.943) 9.964 2.217 ( 0.000 -7.147 6.943) 9.964 2.546 ( 0.000 -3.550 -2.247) 4.202 2.546 ( 0.000 -3.550 2.247) 4.202 2.950 ( 0.000 -0.486 -0.346) 0.596 2.950 ( 0.000 -0.486 0.346) 0.596 3.134 ( 0.000 -2.191 -1.077) 2.441 3.134 ( 0.000 -2.191 1.077) 2.441 4.067 ( 0.000 7.637 -0.806) 7.679 4.067 ( 0.000 7.637 0.806) 7.679 4.657 ( 0.000 13.540 -7.702) 15.577 4.657 ( 0.000 13.540 7.702) 15.577 4.751 ( 0.000 10.408 -6.364) 12.199 4.751 ( 0.000 10.408 6.364) 12.199 7.055 ( 0.000 -0.510 -8.470) 8.485 7.055 ( 0.000 -0.510 8.470) 8.485 7.850 ( 0.000 -1.517 -0.598) 1.631 7.850 ( 0.000 -1.517 0.598) 1.631 9.291 ( 0.000 5.900 -5.003) 7.736 9.291 ( 0.000 5.900 5.003) 7.736 9.326 ( 0.000 5.658 -4.908) 7.490 9.326 ( 0.000 5.658 4.908) 7.490 10.227 ( 0.000 2.522 -9.186) 9.526 10.227 ( 0.000 2.522 9.186) 9.526 10.248 ( 0.000 2.262 -8.654) 8.944 10.248 ( 0.000 2.262 8.654) 8.944 ======================= Grid point 422 (130/140) ======================= q-point: ( 0.17 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -0.591 1.200 -1.412) 1.945 1.155 ( -0.591 1.200 1.412) 1.945 1.233 ( -1.728 0.228 -1.132) 2.078 1.233 ( -1.728 0.228 1.132) 2.078 1.567 ( 6.646 3.014 -6.715) 9.917 1.567 ( 6.646 3.014 6.715) 9.917 1.753 ( 1.390 -2.961 -6.279) 7.080 1.753 ( 1.390 -2.961 6.279) 7.080 2.095 ( 0.429 -0.252 -2.468) 2.518 2.095 ( 0.429 -0.252 2.468) 2.518 2.204 ( -1.159 -7.233 -6.468) 9.772 2.204 ( -1.159 -7.233 6.468) 9.772 2.591 ( 4.351 -2.144 -1.901) 5.210 2.591 ( 4.351 -2.144 1.901) 5.210 2.948 ( -0.189 -0.370 -0.317) 0.523 2.948 ( -0.189 -0.370 0.317) 0.523 3.143 ( 1.076 -2.386 -0.817) 2.741 3.143 ( 1.076 -2.386 0.817) 2.741 3.963 ( -9.261 6.173 -0.046) 11.130 3.963 ( -9.261 6.173 0.046) 11.130 4.656 ( -0.079 14.063 -5.287) 15.025 4.656 ( -0.079 14.063 5.287) 15.025 4.755 ( 0.279 10.747 -4.446) 11.634 4.755 ( 0.279 10.747 4.446) 11.634 7.124 ( 6.170 -0.591 -7.730) 9.908 7.124 ( 6.170 -0.591 7.730) 9.908 7.807 ( -3.970 -1.525 -1.050) 4.380 7.807 ( -3.970 -1.525 1.050) 4.380 9.296 ( 0.457 5.836 -5.013) 7.707 9.296 ( 0.457 5.836 5.013) 7.707 9.328 ( 0.106 5.671 -4.941) 7.522 9.328 ( 0.106 5.671 4.941) 7.522 10.224 ( -0.261 2.477 -7.499) 7.902 10.224 ( -0.261 2.477 7.499) 7.902 10.247 ( -0.115 2.285 -7.043) 7.405 10.247 ( -0.115 2.285 7.043) 7.405 ======================= Grid point 424 (131/140) ======================= q-point: ( 0.33 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.432 2.153 -1.414) 2.612 1.143 ( -0.432 2.153 1.414) 2.612 1.205 ( -0.902 -0.256 -1.272) 1.580 1.205 ( -0.902 -0.256 1.272) 1.580 1.691 ( 4.073 -0.105 -4.751) 6.259 1.691 ( 4.073 -0.105 4.751) 6.259 1.789 ( 1.758 -2.200 -4.958) 5.702 1.789 ( 1.758 -2.200 4.958) 5.702 2.104 ( 0.339 -0.970 -1.389) 1.728 2.104 ( 0.339 -0.970 1.389) 1.728 2.175 ( -1.316 -7.322 -4.497) 8.692 2.175 ( -1.316 -7.322 4.497) 8.692 2.723 ( 7.122 1.343 -1.880) 7.488 2.723 ( 7.122 1.343 1.880) 7.488 2.940 ( -0.610 -0.108 -1.011) 1.186 2.940 ( -0.610 -0.108 1.011) 1.186 3.200 ( 5.127 -2.554 -0.649) 5.764 3.200 ( 5.127 -2.554 0.649) 5.764 3.702 ( -14.384 3.089 -1.059) 14.750 3.702 ( -14.384 3.089 1.059) 14.750 4.654 ( -0.055 14.763 -2.062) 14.907 4.654 ( -0.055 14.763 2.062) 14.907 4.760 ( 0.163 11.294 -1.793) 11.437 4.760 ( 0.163 11.294 1.793) 11.437 7.296 ( 9.340 -0.831 -5.942) 11.102 7.296 ( 9.340 -0.831 5.942) 11.102 7.685 ( -7.287 -1.470 -2.192) 7.751 7.685 ( -7.287 -1.470 2.192) 7.751 9.309 ( 0.667 5.726 -5.012) 7.639 9.309 ( 0.667 5.726 5.012) 7.639 9.329 ( -0.106 5.672 -4.985) 7.552 9.329 ( -0.106 5.672 4.985) 7.552 10.219 ( -0.211 2.395 -4.225) 4.861 10.219 ( -0.211 2.395 4.225) 4.861 10.244 ( -0.166 2.322 -3.967) 4.600 10.244 ( -0.166 2.322 3.967) 4.600 ======================= Grid point 426 (132/140) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 2.512 0.000) 2.512 1.139 ( 0.000 2.512 0.000) 2.512 1.195 ( 0.000 -0.535 -0.000) 0.535 1.195 ( 0.000 -0.535 0.000) 0.535 1.733 ( 0.000 -1.232 0.000) 1.232 1.733 ( 0.000 -1.232 0.000) 1.232 1.811 ( -0.000 -2.053 -0.000) 2.053 1.811 ( 0.000 -2.053 0.000) 2.053 2.108 ( 0.000 -1.360 -0.000) 1.360 2.108 ( 0.000 -1.360 0.000) 1.360 2.159 ( 0.000 -7.369 -0.000) 7.369 2.159 ( 0.000 -7.369 0.000) 7.369 2.818 ( 0.000 3.325 -0.000) 3.325 2.818 ( 0.000 3.325 0.000) 3.325 2.927 ( -0.000 -0.208 0.000) 0.208 2.927 ( 0.000 -0.208 0.000) 0.208 3.378 ( -0.000 -0.179 0.000) 0.179 3.378 ( -0.000 -0.179 0.000) 0.179 3.412 ( 0.000 -0.739 0.000) 0.739 3.412 ( 0.000 -0.739 -0.000) 0.739 4.654 ( 0.000 15.014 -0.000) 15.014 4.654 ( 0.000 15.014 -0.000) 15.014 4.761 ( 0.000 11.517 0.000) 11.517 4.761 ( 0.000 11.517 0.000) 11.517 7.481 ( 0.000 -0.889 -0.000) 0.889 7.481 ( 0.000 -0.889 0.000) 0.889 7.524 ( -0.000 -1.506 -0.000) 1.506 7.524 ( -0.000 -1.506 0.000) 1.506 9.321 ( -0.000 5.744 -0.000) 5.744 9.321 ( -0.000 5.744 0.000) 5.744 9.323 ( 0.000 5.596 -0.000) 5.596 9.323 ( -0.000 5.596 0.000) 5.596 10.216 ( 0.000 2.353 -0.000) 2.353 10.216 ( 0.000 2.353 0.000) 2.353 10.241 ( 0.000 2.343 -0.000) 2.343 10.241 ( 0.000 2.343 0.000) 2.343 ======================= Grid point 434 (133/140) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.000 0.907 -0.042) 0.908 1.179 ( 0.000 0.907 0.042) 0.908 1.233 ( 0.000 -1.945 -0.376) 1.981 1.233 ( 0.000 -1.945 0.376) 1.981 1.609 ( 0.000 7.215 -4.580) 8.546 1.609 ( 0.000 7.215 4.580) 8.546 1.680 ( 0.000 -2.021 -3.045) 3.655 1.680 ( 0.000 -2.021 3.045) 3.655 2.059 ( 0.000 -5.935 -1.537) 6.130 2.059 ( 0.000 -5.935 1.537) 6.130 2.096 ( 0.000 -1.951 -7.473) 7.724 2.096 ( 0.000 -1.951 7.473) 7.724 2.465 ( 0.000 -4.383 -0.578) 4.421 2.465 ( 0.000 -4.383 0.578) 4.421 2.916 ( 0.000 -2.422 -1.585) 2.894 2.916 ( 0.000 -2.422 1.585) 2.894 3.110 ( 0.000 -0.339 -0.088) 0.350 3.110 ( 0.000 -0.339 0.088) 0.350 4.157 ( 0.000 2.489 -0.031) 2.489 4.157 ( 0.000 2.489 0.031) 2.489 4.868 ( 0.000 8.343 -4.892) 9.671 4.868 ( 0.000 8.343 4.892) 9.671 4.934 ( 0.000 7.053 -4.285) 8.252 4.934 ( 0.000 7.053 4.285) 8.252 7.046 ( 0.000 -0.401 -5.733) 5.747 7.046 ( 0.000 -0.401 5.733) 5.747 7.828 ( 0.000 -0.833 -0.598) 1.025 7.828 ( 0.000 -0.833 0.598) 1.025 9.432 ( 0.000 7.812 -2.037) 8.073 9.432 ( 0.000 7.812 2.037) 8.073 9.470 ( 0.000 8.187 -1.251) 8.282 9.470 ( 0.000 8.187 1.251) 8.282 10.243 ( 0.000 -0.761 -6.371) 6.416 10.243 ( 0.000 -0.761 6.371) 6.416 10.258 ( 0.000 -1.008 -6.269) 6.350 10.258 ( 0.000 -1.008 6.269) 6.350 ======================= Grid point 436 (134/140) ======================= q-point: ( 0.17 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -0.192 0.969 -0.501) 1.108 1.177 ( -0.192 0.969 0.501) 1.108 1.221 ( -0.952 -1.142 -0.205) 1.501 1.221 ( -0.952 -1.142 0.205) 1.501 1.643 ( 2.528 2.904 -4.261) 5.743 1.643 ( 2.528 2.904 4.261) 5.743 1.711 ( 2.591 0.376 -3.688) 4.523 1.711 ( 2.591 0.376 3.688) 4.523 2.048 ( -0.948 -6.705 -1.727) 6.988 2.048 ( -0.948 -6.705 1.727) 6.988 2.092 ( -0.395 -1.614 -6.347) 6.560 2.092 ( -0.395 -1.614 6.347) 6.560 2.539 ( 7.039 -2.813 -0.883) 7.632 2.539 ( 7.039 -2.813 0.883) 7.632 2.920 ( 0.415 -2.050 -1.370) 2.501 2.920 ( 0.415 -2.050 1.370) 2.501 3.111 ( 0.259 -0.839 -0.285) 0.923 3.111 ( 0.259 -0.839 0.285) 0.923 4.035 ( -10.848 1.928 -0.406) 11.025 4.035 ( -10.848 1.928 0.406) 11.025 4.875 ( 0.546 8.519 -3.771) 9.332 4.875 ( 0.546 8.519 3.771) 9.332 4.937 ( 0.246 6.965 -3.415) 7.761 4.937 ( 0.246 6.965 3.415) 7.761 7.115 ( 6.139 -0.360 -5.279) 8.105 7.115 ( 6.139 -0.360 5.279) 8.105 7.785 ( -3.920 -0.787 -0.915) 4.102 7.785 ( -3.920 -0.787 0.915) 4.102 9.436 ( 0.383 7.776 -1.991) 8.036 9.436 ( 0.383 7.776 1.991) 8.036 9.471 ( 0.019 8.100 -1.361) 8.214 9.471 ( 0.019 8.100 1.361) 8.214 10.239 ( -0.292 -0.743 -4.971) 5.034 10.239 ( -0.292 -0.743 4.971) 5.034 10.257 ( -0.111 -1.032 -4.889) 4.998 10.257 ( -0.111 -1.032 4.889) 4.998 ======================= Grid point 438 (135/140) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -0.142 0.975 -0.990) 1.397 1.173 ( -0.142 0.975 0.990) 1.397 1.201 ( -0.827 -0.299 -0.825) 1.206 1.201 ( -0.827 -0.299 0.825) 1.206 1.699 ( 2.578 -0.282 -3.300) 4.197 1.699 ( 2.578 -0.282 3.300) 4.197 1.758 ( 1.193 0.630 -4.090) 4.306 1.758 ( 1.193 0.630 4.090) 4.306 2.027 ( -0.829 -6.878 -1.364) 7.061 2.027 ( -0.829 -6.878 1.364) 7.061 2.079 ( -0.731 -2.187 -3.885) 4.517 2.079 ( -0.731 -2.187 3.885) 4.517 2.743 ( 10.329 0.876 -1.501) 10.475 2.743 ( 10.329 0.876 1.501) 10.475 2.930 ( 0.306 -0.890 -0.967) 1.349 2.930 ( 0.306 -0.890 0.967) 1.349 3.147 ( 4.484 -2.456 -0.430) 5.131 3.147 ( 4.484 -2.456 0.430) 5.131 3.731 ( -16.768 0.436 -0.820) 16.794 3.731 ( -16.768 0.436 0.820) 16.794 4.885 ( 0.322 8.793 -1.761) 8.974 4.885 ( 0.322 8.793 1.761) 8.974 4.942 ( 0.188 6.831 -1.674) 7.036 4.942 ( 0.188 6.831 1.674) 7.036 7.285 ( 9.221 -0.331 -4.174) 10.127 7.285 ( 9.221 -0.331 4.174) 10.127 7.665 ( -7.168 -0.667 -1.722) 7.402 7.665 ( -7.168 -0.667 1.722) 7.402 9.447 ( 0.624 7.720 -1.872) 7.969 9.447 ( 0.624 7.720 1.872) 7.969 9.469 ( -0.227 7.910 -1.558) 8.065 9.469 ( -0.227 7.910 1.558) 8.065 10.233 ( -0.244 -0.720 -2.676) 2.782 10.233 ( -0.244 -0.720 2.676) 2.782 10.254 ( -0.160 -1.067 -2.636) 2.849 10.254 ( -0.160 -1.067 2.636) 2.849 ======================= Grid point 440 (136/140) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.000 0.905 0.000) 0.905 1.171 ( 0.000 0.905 0.000) 0.905 1.191 ( -0.000 -0.015 -0.000) 0.015 1.191 ( 0.000 -0.015 0.000) 0.015 1.738 ( -0.000 1.436 0.000) 1.436 1.738 ( -0.000 1.436 0.000) 1.436 1.760 ( 0.000 -2.426 -0.000) 2.426 1.760 ( -0.000 -2.426 0.000) 2.426 2.018 ( 0.000 -6.303 -0.000) 6.303 2.018 ( 0.000 -6.303 0.000) 6.303 2.069 ( 0.000 -2.850 -0.000) 2.850 2.069 ( 0.000 -2.850 0.000) 2.850 2.871 ( 0.000 2.199 -0.000) 2.199 2.871 ( -0.000 2.199 0.000) 2.199 2.928 ( -0.000 0.204 0.000) 0.204 2.928 ( 0.000 0.204 0.000) 0.204 3.352 ( -0.000 -1.777 0.000) 1.777 3.352 ( 0.000 -1.777 0.000) 1.777 3.384 ( 0.000 -1.942 0.000) 1.942 3.384 ( 0.000 -1.942 -0.000) 1.942 4.888 ( 0.000 8.907 -0.000) 8.907 4.888 ( 0.000 8.907 -0.000) 8.907 4.944 ( 0.000 6.775 0.000) 6.775 4.944 ( 0.000 6.775 0.000) 6.775 7.473 ( 0.000 0.006 -0.000) 0.006 7.473 ( 0.000 0.006 0.000) 0.006 7.500 ( -0.000 -0.941 -0.000) 0.941 7.500 ( -0.000 -0.941 0.000) 0.941 9.460 ( 0.000 7.703 -0.000) 7.703 9.460 ( -0.000 7.703 0.000) 7.703 9.461 ( -0.000 7.805 -0.000) 7.805 9.461 ( 0.000 7.805 0.000) 7.805 10.230 ( 0.000 -0.713 -0.000) 0.713 10.230 ( 0.000 -0.713 0.000) 0.713 10.252 ( 0.000 -1.080 -0.000) 1.080 10.252 ( 0.000 -1.080 0.000) 1.080 ======================= Grid point 448 (137/140) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.000 0.419 -1.107) 1.184 1.192 ( 0.000 0.419 1.107) 1.184 1.204 ( 0.000 -0.893 -1.431) 1.687 1.204 ( 0.000 -0.893 1.431) 1.687 1.642 ( 0.000 -0.652 -0.493) 0.817 1.642 ( 0.000 -0.652 0.493) 0.817 1.751 ( 0.000 5.260 -1.875) 5.584 1.751 ( 0.000 5.260 1.875) 5.584 1.938 ( 0.000 -4.917 -1.591) 5.168 1.938 ( 0.000 -4.917 1.591) 5.168 2.084 ( 0.000 -0.103 -2.748) 2.750 2.084 ( 0.000 -0.103 2.748) 2.750 2.391 ( 0.000 -2.475 -0.215) 2.485 2.391 ( 0.000 -2.475 0.215) 2.485 2.878 ( 0.000 -1.104 -0.883) 1.414 2.878 ( 0.000 -1.104 0.883) 1.414 3.109 ( 0.000 0.072 -0.195) 0.208 3.109 ( 0.000 0.072 0.195) 0.208 4.185 ( 0.000 0.592 -0.014) 0.592 4.185 ( 0.000 0.592 0.014) 0.592 4.985 ( 0.000 3.691 -1.824) 4.117 4.985 ( 0.000 3.691 1.824) 4.117 5.013 ( 0.000 1.258 -1.337) 1.836 5.013 ( 0.000 1.258 1.337) 1.836 7.040 ( 0.000 -0.175 -2.040) 2.047 7.040 ( 0.000 -0.175 2.040) 2.047 7.817 ( 0.000 -0.282 -0.265) 0.387 7.817 ( 0.000 -0.282 0.265) 0.387 9.559 ( 0.000 4.083 -0.302) 4.094 9.559 ( 0.000 4.083 0.302) 4.094 9.604 ( 0.000 4.295 -0.176) 4.298 9.604 ( 0.000 4.295 0.176) 4.298 10.216 ( 0.000 -1.264 -2.479) 2.783 10.216 ( 0.000 -1.264 2.479) 2.783 10.227 ( 0.000 -1.420 -2.530) 2.901 10.227 ( 0.000 -1.420 2.530) 2.901 ======================= Grid point 450 (138/140) ======================= q-point: ( 0.17 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -0.207 0.368 -0.185) 0.461 1.190 ( -0.207 0.368 0.185) 0.461 1.202 ( -0.234 -0.610 -0.396) 0.764 1.202 ( -0.234 -0.610 0.396) 0.764 1.643 ( 0.718 -0.610 -0.640) 1.139 1.643 ( 0.718 -0.610 0.640) 1.139 1.792 ( 2.594 5.128 -2.091) 6.116 1.792 ( 2.594 5.128 2.091) 6.116 1.922 ( -1.200 -5.506 -1.707) 5.888 1.922 ( -1.200 -5.506 1.707) 5.888 2.072 ( -1.199 -0.617 -2.533) 2.869 2.072 ( -1.199 -0.617 2.533) 2.869 2.493 ( 9.426 -1.482 -0.470) 9.554 2.493 ( 9.426 -1.482 0.470) 9.554 2.887 ( 0.845 -0.999 -0.822) 1.545 2.887 ( 0.845 -0.999 0.822) 1.545 3.103 ( -0.412 -0.095 -0.271) 0.502 3.103 ( -0.412 -0.095 0.271) 0.502 4.056 ( -11.457 0.438 -0.163) 11.467 4.056 ( -11.457 0.438 0.163) 11.467 4.993 ( 0.531 3.609 -1.515) 3.950 4.993 ( 0.531 3.609 1.515) 3.950 5.017 ( 0.262 1.310 -1.173) 1.777 5.017 ( 0.262 1.310 1.173) 1.777 7.110 ( 6.207 -0.141 -1.887) 6.489 7.110 ( 6.207 -0.141 1.887) 6.489 7.775 ( -3.846 -0.254 -0.376) 3.873 7.775 ( -3.846 -0.254 0.376) 3.873 9.563 ( 0.336 4.064 -0.274) 4.088 9.563 ( 0.336 4.064 0.274) 4.088 9.603 ( -0.110 4.245 -0.195) 4.251 9.603 ( -0.110 4.245 0.195) 4.251 10.213 ( -0.196 -1.172 -2.268) 2.560 10.213 ( -0.196 -1.172 2.268) 2.560 10.225 ( -0.201 -1.504 -2.319) 2.771 10.225 ( -0.201 -1.504 2.319) 2.771 ======================= Grid point 452 (139/140) ======================= q-point: ( 0.33 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -0.241 0.340 -0.744) 0.852 1.185 ( -0.241 0.340 0.744) 0.852 1.194 ( -0.415 -0.296 -0.607) 0.792 1.194 ( -0.415 -0.296 0.607) 0.792 1.680 ( 2.595 -0.686 -0.507) 2.731 1.680 ( 2.595 -0.686 0.507) 2.731 1.808 ( -1.659 2.809 -1.387) 3.544 1.808 ( -1.659 2.809 1.387) 3.544 1.918 ( 1.412 -3.662 -1.449) 4.183 1.918 ( 1.412 -3.662 1.449) 4.183 2.035 ( -2.092 -1.761 -2.059) 3.423 2.035 ( -2.092 -1.761 2.059) 3.423 2.758 ( 13.205 0.511 -0.666) 13.232 2.758 ( 13.205 0.511 0.666) 13.232 2.911 ( 1.241 -0.747 -0.650) 1.588 2.911 ( 1.241 -0.747 0.650) 1.588 3.114 ( 2.921 -0.816 -0.401) 3.059 3.114 ( 2.921 -0.816 0.401) 3.059 3.733 ( -17.950 -0.043 -0.289) 17.952 3.733 ( -17.950 -0.043 0.289) 17.952 5.003 ( 0.329 3.404 -0.883) 3.532 5.003 ( 0.329 3.404 0.883) 3.532 5.022 ( 0.191 1.478 -0.769) 1.677 5.022 ( 0.191 1.478 0.769) 1.677 7.281 ( 9.242 -0.095 -1.513) 9.366 7.281 ( 9.242 -0.095 1.513) 9.366 7.657 ( -7.070 -0.192 -0.664) 7.104 7.657 ( -7.070 -0.192 0.664) 7.104 9.573 ( 0.604 4.038 -0.209) 4.088 9.573 ( 0.604 4.038 0.209) 4.088 9.598 ( -0.381 4.138 -0.203) 4.160 9.598 ( -0.381 4.138 0.203) 4.160 10.209 ( -0.165 -0.991 -1.580) 1.872 10.209 ( -0.165 -0.991 1.580) 1.872 10.220 ( -0.233 -1.668 -1.616) 2.335 10.220 ( -0.233 -1.668 1.616) 2.335 ======================= Grid point 454 (140/140) ======================= q-point: (-0.50 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -0.000 0.386 0.000) 0.386 1.182 ( 0.000 0.386 0.000) 0.386 1.189 ( -0.000 -0.266 -0.000) 0.266 1.189 ( 0.000 -0.266 0.000) 0.266 1.738 ( -0.000 0.318 0.000) 0.318 1.738 ( 0.000 0.318 0.000) 0.318 1.756 ( -0.000 -0.487 0.000) 0.487 1.756 ( 0.000 -0.487 -0.000) 0.487 1.949 ( 0.000 0.096 0.000) 0.096 1.949 ( 0.000 0.096 0.000) 0.096 2.000 ( -0.000 -3.816 -0.000) 3.816 2.000 ( 0.000 -3.816 0.000) 3.816 2.907 ( -0.000 1.512 -0.000) 1.512 2.907 ( -0.000 1.512 0.000) 1.512 2.927 ( 0.000 -0.475 -0.000) 0.475 2.927 ( 0.000 -0.475 0.000) 0.475 3.330 ( -0.000 -0.158 0.000) 0.158 3.330 ( 0.000 -0.158 0.000) 0.158 3.346 ( 0.000 -1.637 0.000) 1.637 3.346 ( 0.000 -1.637 0.000) 1.637 5.006 ( 0.000 3.348 -0.000) 3.348 5.006 ( 0.000 3.348 -0.000) 3.348 5.024 ( 0.000 1.523 0.000) 1.523 5.024 ( 0.000 1.523 0.000) 1.523 7.477 ( 0.000 0.329 -0.000) 0.329 7.477 ( 0.000 0.329 0.000) 0.329 7.486 ( -0.000 -0.568 -0.000) 0.568 7.486 ( -0.000 -0.568 0.000) 0.568 9.586 ( -0.000 4.088 0.000) 4.088 9.586 ( 0.000 4.088 -0.000) 4.088 9.587 ( -0.000 4.021 -0.000) 4.021 9.587 ( 0.000 4.021 0.000) 4.021 10.207 ( 0.000 -0.878 -0.000) 0.878 10.207 ( 0.000 -0.878 0.000) 0.878 10.217 ( 0.000 -1.774 -0.000) 1.774 10.217 ( 0.000 -1.774 0.000) 1.774 =================== 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 3/22464 10.0 34.131 64.621 51.273 0.000 0.000 -0.000 3/22464 20.0 5.166 9.476 7.594 0.000 0.000 -0.000 3/22464 30.0 2.476 4.602 3.508 0.000 0.000 -0.000 3/22464 40.0 1.702 3.207 2.286 0.000 0.000 -0.000 3/22464 50.0 1.357 2.574 1.730 0.000 0.000 -0.000 3/22464 60.0 1.162 2.202 1.418 0.000 0.000 -0.000 3/22464 70.0 1.032 1.950 1.221 0.000 0.000 -0.000 3/22464 80.0 0.935 1.763 1.086 0.000 0.000 -0.000 3/22464 90.0 0.859 1.617 0.988 0.000 0.000 -0.000 3/22464 100.0 0.795 1.499 0.913 0.000 0.000 -0.000 3/22464 110.0 0.741 1.401 0.853 0.000 0.000 -0.000 3/22464 120.0 0.693 1.316 0.803 0.000 0.000 -0.000 3/22464 130.0 0.652 1.242 0.761 0.000 0.000 -0.000 3/22464 140.0 0.614 1.177 0.723 0.000 0.000 -0.000 3/22464 150.0 0.581 1.119 0.690 0.000 0.000 -0.000 3/22464 160.0 0.550 1.066 0.659 0.000 0.000 -0.000 3/22464 170.0 0.523 1.018 0.632 0.000 0.000 -0.000 3/22464 180.0 0.498 0.974 0.606 0.000 0.000 -0.000 3/22464 190.0 0.475 0.933 0.583 0.000 0.000 -0.000 3/22464 200.0 0.454 0.896 0.561 0.000 0.000 -0.000 3/22464 210.0 0.435 0.861 0.540 0.000 0.000 -0.000 3/22464 220.0 0.417 0.829 0.521 0.000 0.000 -0.000 3/22464 230.0 0.401 0.799 0.503 0.000 0.000 -0.000 3/22464 240.0 0.385 0.771 0.486 0.000 0.000 -0.000 3/22464 250.0 0.371 0.745 0.471 0.000 0.000 -0.000 3/22464 260.0 0.358 0.720 0.456 0.000 0.000 -0.000 3/22464 270.0 0.346 0.697 0.442 0.000 0.000 -0.000 3/22464 280.0 0.334 0.675 0.429 0.000 0.000 -0.000 3/22464 290.0 0.324 0.655 0.416 0.000 0.000 -0.000 3/22464 300.0 0.313 0.636 0.404 0.000 0.000 -0.000 3/22464 310.0 0.304 0.617 0.393 0.000 0.000 -0.000 3/22464 320.0 0.295 0.600 0.382 0.000 0.000 -0.000 3/22464 330.0 0.286 0.584 0.372 0.000 0.000 -0.000 3/22464 340.0 0.278 0.568 0.363 0.000 0.000 -0.000 3/22464 350.0 0.271 0.553 0.353 0.000 0.000 -0.000 3/22464 360.0 0.264 0.539 0.345 0.000 0.000 -0.000 3/22464 370.0 0.257 0.526 0.336 0.000 0.000 -0.000 3/22464 380.0 0.250 0.513 0.328 0.000 0.000 -0.000 3/22464 390.0 0.244 0.501 0.321 0.000 0.000 -0.000 3/22464 400.0 0.238 0.489 0.313 0.000 0.000 -0.000 3/22464 410.0 0.233 0.478 0.307 0.000 0.000 -0.000 3/22464 420.0 0.227 0.468 0.300 0.000 0.000 -0.000 3/22464 430.0 0.222 0.457 0.293 0.000 0.000 -0.000 3/22464 440.0 0.217 0.448 0.287 0.000 0.000 -0.000 3/22464 450.0 0.213 0.438 0.281 0.000 0.000 -0.000 3/22464 460.0 0.208 0.429 0.276 0.000 0.000 -0.000 3/22464 470.0 0.204 0.421 0.270 0.000 0.000 -0.000 3/22464 480.0 0.200 0.412 0.265 0.000 0.000 -0.000 3/22464 490.0 0.196 0.404 0.260 0.000 0.000 -0.000 3/22464 500.0 0.192 0.397 0.255 0.000 0.000 -0.000 3/22464 510.0 0.188 0.389 0.250 0.000 0.000 -0.000 3/22464 520.0 0.185 0.382 0.246 0.000 0.000 -0.000 3/22464 530.0 0.181 0.375 0.242 0.000 0.000 -0.000 3/22464 540.0 0.178 0.369 0.237 0.000 0.000 -0.000 3/22464 550.0 0.175 0.362 0.233 0.000 0.000 -0.000 3/22464 560.0 0.172 0.356 0.229 0.000 0.000 -0.000 3/22464 570.0 0.169 0.350 0.225 0.000 0.000 -0.000 3/22464 580.0 0.166 0.344 0.222 0.000 0.000 -0.000 3/22464 590.0 0.163 0.339 0.218 0.000 0.000 -0.000 3/22464 600.0 0.161 0.333 0.215 0.000 0.000 -0.000 3/22464 610.0 0.158 0.328 0.211 0.000 0.000 -0.000 3/22464 620.0 0.155 0.323 0.208 0.000 0.000 -0.000 3/22464 630.0 0.153 0.318 0.205 0.000 0.000 -0.000 3/22464 640.0 0.151 0.313 0.202 0.000 0.000 -0.000 3/22464 650.0 0.148 0.308 0.199 0.000 0.000 -0.000 3/22464 660.0 0.146 0.304 0.196 0.000 0.000 -0.000 3/22464 670.0 0.144 0.300 0.193 0.000 0.000 -0.000 3/22464 680.0 0.142 0.295 0.190 0.000 0.000 -0.000 3/22464 690.0 0.140 0.291 0.188 0.000 0.000 -0.000 3/22464 700.0 0.138 0.287 0.185 0.000 0.000 -0.000 3/22464 710.0 0.136 0.283 0.183 0.000 0.000 -0.000 3/22464 720.0 0.134 0.279 0.180 0.000 0.000 -0.000 3/22464 730.0 0.132 0.276 0.178 0.000 0.000 -0.000 3/22464 740.0 0.131 0.272 0.176 0.000 0.000 -0.000 3/22464 750.0 0.129 0.268 0.173 0.000 0.000 -0.000 3/22464 760.0 0.127 0.265 0.171 0.000 0.000 -0.000 3/22464 770.0 0.126 0.262 0.169 0.000 0.000 -0.000 3/22464 780.0 0.124 0.258 0.167 0.000 0.000 -0.000 3/22464 790.0 0.122 0.255 0.165 0.000 0.000 -0.000 3/22464 800.0 0.121 0.252 0.163 0.000 0.000 -0.000 3/22464 810.0 0.119 0.249 0.161 0.000 0.000 -0.000 3/22464 820.0 0.118 0.246 0.159 0.000 0.000 -0.000 3/22464 830.0 0.117 0.243 0.157 0.000 0.000 -0.000 3/22464 840.0 0.115 0.240 0.155 0.000 0.000 -0.000 3/22464 850.0 0.114 0.237 0.153 0.000 0.000 -0.000 3/22464 860.0 0.113 0.235 0.152 0.000 0.000 -0.000 3/22464 870.0 0.111 0.232 0.150 0.000 0.000 -0.000 3/22464 880.0 0.110 0.230 0.148 0.000 0.000 -0.000 3/22464 890.0 0.109 0.227 0.147 0.000 0.000 -0.000 3/22464 900.0 0.108 0.225 0.145 0.000 0.000 -0.000 3/22464 910.0 0.106 0.222 0.144 0.000 0.000 -0.000 3/22464 920.0 0.105 0.220 0.142 0.000 0.000 -0.000 3/22464 930.0 0.104 0.217 0.141 0.000 0.000 -0.000 3/22464 940.0 0.103 0.215 0.139 0.000 0.000 -0.000 3/22464 950.0 0.102 0.213 0.138 0.000 0.000 -0.000 3/22464 960.0 0.101 0.211 0.136 0.000 0.000 -0.000 3/22464 970.0 0.100 0.209 0.135 0.000 0.000 -0.000 3/22464 980.0 0.099 0.207 0.133 0.000 0.000 -0.000 3/22464 990.0 0.098 0.204 0.132 0.000 0.000 -0.000 3/22464 1000.0 0.097 0.202 0.131 0.000 0.000 -0.000 3/22464 Thermal conductivity related properties were written into "kappa-m6138.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:39:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|